CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000001026822 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccccc4C)[C@@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1OC ZINC000001111151 KK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@H]1c1coc2ccccc2c1=O ZINC000001460809 KK Annotated Anodyne COc1cc2c(cc1OCCN(C)C)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2 ZINC000001484771 KK Annotated Anodyne CCN1CCC2(CC1)COc1cc3c(cc12)N(C(=O)c1ccc(-c2ccc(-c4nnc(C)o4)cc2C)cc1)CC3 ZINC000001485779 KK Annotated Anodyne in-vivo O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1 ZINC000001486294 KK Annotated Anodyne CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC ZINC000001486363 KK Annotated Anodyne CCOc1cc2c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c(CO)c(CO)cc2cc1OC ZINC000001486364 KK Annotated Anodyne Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc34)CC1)O2 ZINC000001486418 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@H](c2ccc3c(c2)OCO3)N2N=C(c3ccc(Cl)cc3)CCC2=O)cc1 ZINC000001486629 KK Annotated Mild CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(C)=O)c1-c1ccc(O)cc1 ZINC000001487845 KK Annotated Anodyne in-vitro COc1cc(OC)c2[nH]c3c(O)c(-c4c(C)cc5c([nH]c6c(OC)cc(OC)cc65)c4O)c(C)cc3c2c1 ZINC000001487984 KK Annotated Anodyne C[C@@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@@H](O)[C@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1 ZINC000001488127 KK Annotated Anodyne COc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000001488193 KK Annotated Anodyne in-man CC(C)CN(c1ccc(C(F)(F)F)cc1OCc1ccc(/C=C/C(=O)O)cc1)S(=O)(=O)c1ccco1 ZINC000001488813 KK Annotated Anodyne in-vitro O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000001489469 KK Annotated Reactive O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2o1 ZINC000001489471 KK Annotated Reactive O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000001490563 KK Annotated Anodyne O=[S@](Cc1cc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1)c1nc2cscc2[nH]1 ZINC000001492419 KK Annotated Anodyne Cc1cc(-c2c(OCCC3OCCO3)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000001494307 KK Annotated Anodyne Cc1cc(-c2c(OCC[C@H]3CCO3)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000001494309 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2ncc3c(OC(=O)CCCC(=O)O)c(-c4ccc(Cl)cc4)sc3c12 ZINC000001494386 KK Annotated Anodyne COc1cc(NC(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1OC ZINC000001494791 KK Annotated Anodyne Cc1cc(C)cc(Oc2c(CSCc3csc(C)n3)c(C)[nH]c(=O)c2I)c1 ZINC000001494812 KK Annotated Anodyne CSc1nc(Nc2ccc3nc(C)cc(N(C)C)c3c2)nc(Nc2ccc3nc(C)cc(N(C)C)c3c2)n1 ZINC000001494849 KK Annotated Anodyne COc1cc(C2=NCCc3ccc(Cl)cc32)ccc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000001494880 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(O)c(CC3=C(O)C(C)(C)C=C(C(=O)C(C)C)C3=O)c(O)c(C(=O)C(C)C)c2O1 ZINC000100003052 KK Annotated Mild in-vitro biogenic CC(C)=CCCC1=C(O)C(CCC=C(C)C)(CCC=C(C)C)c2cc3c(O)c(C)cc(O)c3c(O)c2C1=O ZINC000100003100 KK Annotated Mild in-vitro biogenic CC(C)=CCCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)C=C(O)C3(CCC=C(C)C)CCC=C(C)C ZINC000100003101 KK Annotated Mild in-vitro biogenic CC(C)=CCCc1c(C)cc(O)c2c(O)c3c(cc12)C(CCC=C(C)C)(CCC=C(C)C)C(O)=CC3=O ZINC000100003102 KK Annotated Mild in-vitro biogenic CC(C)=CCCc1c(C)c(CCC=C(C)C)c2cc3c(c(O)c2c1O)C(=O)C=C(O)[C@@H]3CCC=C(C)C ZINC000100003103 KK Annotated Mild in-vitro biogenic CCC[C@@]12C[C@H](CCC=C(C)C)[C@@](C)(CC/C=C(\C)CC)[C@@](CCC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000100003112 KK Annotated Mild in-vitro biogenic CC(C)=CCC/C=C/C[C@@H]1C[C@]2(C/C=C/CCC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000100003257 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CC=C(C)C)CC[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000100003260 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@@H](CC[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000100003262 KK Annotated Mild in-vitro biogenic CC(C)=CCCc1c(C)c(CCC=C(C)C)c2cc3c(c(O)c2c1O)C(=O)C=C(O)[C@H]3CCC=C(C)C ZINC000100003276 KK Annotated Mild in-vitro biogenic CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@]1(C)CC=C(C)C ZINC000100003454 KK Annotated Mild in-vitro biogenic c1ccc(P(c2ccccc2)[C@H]2CCC[C@H]2[C@@H]2CCC[C@@H]2P(c2ccccc2)c2ccccc2)cc1 ZINC000100009555 KK Annotated Reactive c1ccc(-c2c(-c3ccccc3)c3c(-c4ccccc4)c4ccc(cc5ccc(cc6ccc(cc2n3-c2ccccc2)n6)[nH]5)n4)cc1 ZINC000100027887 KK Annotated Bother CCCCC[C@@H]1C(C(=O)O/C=C/Cc2cccnc2)=C(C)N=C(C)/C1=C(/O)O/C=C/Cc1cccnc1 ZINC000100034015 KK Annotated Anodyne CCCCC[C@H]1C(C(=O)O/C=C/Cc2cccnc2)=C(C)N=C(C)/C1=C(/O)O/C=C/Cc1cccnc1 ZINC000100034018 KK Annotated Anodyne CC(C)(C)C(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100036898 KK Annotated Anodyne CC(C)(C)C(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100036901 KK Annotated Anodyne CC(C)(C)C(=O)N1CCC2(CC1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100036905 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O ZINC000100038287 KK Annotated Mild world CC(C)=CCC1=C(O)[C@@]2(C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@@]2(C)CC/C=C(\C)CO)C1=O ZINC000100042376 KK Annotated Mild in-vitro biogenic CC(C)=CCC1=C(O)[C@@]2(C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@]2(C)CC/C=C(\C)CO)C1=O ZINC000100042380 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@]1(C)[C@H](C/C=C(\C)CO)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000100042385 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@]1(C)[C@H](C/C=C(\C)CO)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000100042387 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(C/C=C(\C)CO)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000100042395 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(C/C=C(\C)CO)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000100042399 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C/C=C(\C)CO)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000100042403 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C/C=C(\C)CO)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000100042405 KK Annotated Mild in-vitro biogenic O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@H](c1cccc(NS(=O)(=O)c2ccccn2)c1)C1CC1 ZINC000100044648 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c2ccccn2)c1)C1CC1 ZINC000100044651 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@H](c1cccc(CS(=O)(=O)c2ccccn2)c1)C1CC1 ZINC000100044969 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@@H](c1cccc(CS(=O)(=O)c2ccccn2)c1)C1CC1 ZINC000100044972 KK 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)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000100049072 KK 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)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000100049075 KK 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)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000100049078 KK 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)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000100049080 KK Annotated Mild CCO/C(O)=C1\C(COCCNc2nc(O)cs2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000100049691 KK Annotated Anodyne CCO/C(O)=C1\C(COCCNc2nc(O)cs2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000100049694 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)/C1=C(\O)OCC(C)C ZINC000100050458 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@@H](C2=CCN(C(=O)Oc3ccccc3)C=C2)/C1=C(\O)OCC(C)C ZINC000100050605 KK 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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000100051684 KK Annotated Bother world Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1cccnc1 ZINC000100053524 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1cccnc1 ZINC000100053525 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccn1 ZINC000100053527 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccn1 ZINC000100053532 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccn1 ZINC000100053572 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccn1 ZINC000100053573 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1 ZINC000100053585 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1 ZINC000100053589 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1 ZINC000100053737 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccnc1 ZINC000100053741 KK Annotated Mild O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100055849 KK Annotated Bother O=C(Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100055855 KK Annotated Bother O=C(Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100056402 KK Annotated Bother O=C(Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000100056409 KK Annotated Bother CCN(CC)c1cccc(Oc2cc(NC(=O)C34C[C@@H]5C[C@@H](C3)CC(n3cnc(Cl)n3)(C5)C4)cc([N+](=O)[O-])c2)c1 ZINC000100058933 KK Annotated Bother CCN(CC)c1cccc(Oc2cc(NC(=O)C34C[C@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)cc([N+](=O)[O-])c2)c1 ZINC000100058939 KK Annotated Bother O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccn1 ZINC000100061158 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000100066912 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000100066914 KK Annotated Mild in-man CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000100066916 KK Annotated Mild in-man CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000100067290 KK Annotated Anodyne in-vitro CC(C)CCC[C@@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000100067293 KK Annotated Anodyne in-vitro CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000100067297 KK Annotated Anodyne in-vitro CC(C)CCC[C@@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000100067300 KK Annotated Anodyne in-vitro COc1cc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)ccn2)cc(OC)c1OC ZINC000100067987 KK Annotated Anodyne COc1cc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)ccn2)cc(OC)c1OC ZINC000100067990 KK Annotated Anodyne COc1ccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4ccc(OC)cc4)c3)ccn2)cc1 ZINC000100067994 KK Annotated Anodyne COc1ccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(OC)cc4)c3)ccn2)cc1 ZINC000100067999 KK Annotated Anodyne COc1cccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4cccc(OC)c4)c3)ccn2)c1 ZINC000100068002 KK Annotated Anodyne COc1cccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(OC)c4)c3)ccn2)c1 ZINC000100068006 KK Annotated Anodyne CC(=O)Nc1cccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4cccc(NC(C)=O)c4)c3)ccn2)c1 ZINC000100068038 KK Annotated Anodyne CC(=O)Nc1cccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(NC(C)=O)c4)c3)ccn2)c1 ZINC000100068042 KK Annotated Anodyne Clc1ccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4ccc(Cl)cc4)c3)ccn2)cc1 ZINC000100068046 KK Annotated Anodyne Clc1ccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(Cl)cc4)c3)ccn2)cc1 ZINC000100068052 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4ccc([N+](=O)[O-])cc4)c3)ccn2)cc1 ZINC000100068058 KK Annotated Bother O=[N+]([O-])c1ccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc([N+](=O)[O-])cc4)c3)ccn2)cc1 ZINC000100068065 KK Annotated Bother O=[N+]([O-])c1cccc(-c2cc(CN3C[C@@H]4CC[C@@H](C3)N4Cc3ccnc(-c4cccc([N+](=O)[O-])c4)c3)ccn2)c1 ZINC000100068071 KK Annotated Bother O=[N+]([O-])c1cccc(-c2cc(CN3C[C@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc([N+](=O)[O-])c4)c3)ccn2)c1 ZINC000100068077 KK Annotated Bother CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2ccccn2)=CC1=O)Cc1ccccn1 ZINC000100068886 KK Annotated Mild COc1cc(-c2csc3c(/C=C/CN[C@@H]4CC[C@@H](N)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000100070524 KK Annotated Anodyne COc1cc(-c2csc3c(/C=C/CN[C@@H]4CC[C@H](N)CC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000100070528 KK Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 ZINC000100070664 KK Annotated Mild in-vitro CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 ZINC000100070668 KK Annotated Mild in-vitro CC[C@@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 ZINC000100070672 KK Annotated Mild in-vitro CC[C@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 ZINC000100070679 KK Annotated Mild in-vitro CC(C)=CCc1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c(C(=O)C(C)C)c1O ZINC000100072507 KK Annotated Mild in-vitro biogenic c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1cc%12c%11cc%10c9cc8c7cc6c5cc4c3cc21 ZINC000100074226 KK Annotated Bother in-vitro c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1-2 ZINC000100074307 KK Annotated Anodyne in-vitro CC(=O)N1CCc2c(nc(C)n2[C@H]2C[C@@H]3CC[C@H](C2)N3CCCN(C(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)C1 ZINC000100076281 KK Annotated Anodyne C=C(C)CC[C@@H](C[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccc(O)c(O)c3)(C(=O)C(CC=C(C)C)=C2O)C1(C)C)C(=C)C ZINC000100076677 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@H](C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccc(O)c(O)c3)(C(=O)C(CC=C(C)C)=C2O)C1(C)C)C(=C)C ZINC000100076681 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C(=O)[C@]1(CC=C(C)C)C2=O ZINC000100076723 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@H](C)/C=C\[C@@H]1C[C@H]2C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000100076727 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C ZINC000100076977 KK Annotated Mild in-vitro biogenic CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C23CCCCC3)C(=O)O)cc1 ZINC000100077487 KK Annotated Mild C/C=C1C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)/NC(=O)[C@@H]/1C ZINC000100078261 KK Annotated Anodyne in-vitro CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 ZINC000100078303 KK Annotated Reactive C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@@H](c3ccccc3)N(C(=O)CCl)[C@@H](c3ccccc3)C2)cc1 ZINC000100078342 KK Annotated Reactive CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 ZINC000100078348 KK Annotated Reactive CC(C)(C#N)c1ccc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3cn4ccccc4n3)C(=O)O2)cc1F ZINC000100078518 KK Annotated Mild CC(C)(C#N)c1ccc(CC[C@@]2(C3CCCC3)CC(O)=C(Cc3cn4ccccc4n3)C(=O)O2)cc1F ZINC000100078520 KK Annotated Mild Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000100078627 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000100088791 KK Annotated Mild in-vitro CO[C@@H](/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000100088984 KK Annotated Mild in-vitro CO[C@H](/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000100088991 KK Annotated Mild in-vitro CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000100090551 KK Annotated Reactive in-vitro CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000100090555 KK Annotated Reactive in-vitro CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000100090562 KK Annotated Mild in-vitro CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000100090566 KK Annotated Mild in-vitro CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000100090571 KK Annotated Mild in-vitro CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000100090576 KK Annotated Mild in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](C)C1=C(O)C(=O)c2c(ccc3c2CCCC3(C)C)C1=O ZINC000100090589 KK Annotated Mild in-vitro CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccncc3)s1)C2 ZINC000100091199 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3cccnc3)s1)C2 ZINC000100091661 KK Annotated Anodyne Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1ccc(Br)cn1)C2 ZINC000100091760 KK Annotated Anodyne Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@H]1CC(c1ncccc1CN1CCCCC1)C2 ZINC000100092242 KK Annotated Anodyne CSc1c(CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c(O)c2sccc2c1O ZINC000100094437 KK Annotated Anodyne in-vitro CSc1c(CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)c(O)c2sccc2c1O ZINC000100094443 KK Annotated Anodyne in-vitro CCOc1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](NCCc4ccccc4)CC3)c(C#N)c3ccnn23)cc1 ZINC000100095275 KK Annotated Mild CCOc1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](NCCCc4ccccc4)CC3)c(C#N)c3ccnn23)cc1 ZINC000100095292 KK Annotated Mild Cc1cccc(NC(=O)c2ccc(N3C[C@@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(NC(=O)Cc3c(F)cccc3Cl)c2)n1 ZINC000100097508 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OS(=O)(=O)C[C@@]34CC[C@H](CC3=O)C4(C)C)nc2c1 ZINC000100097555 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OS(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)nc2c1 ZINC000100097558 KK Annotated Anodyne COc1cccc(CN(C(=O)C2=C(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)C[C@H]3CC[C@H]2N3)C2CC2)c1C ZINC000100100809 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Sc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000100102103 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Sc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000100102108 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Oc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000100102113 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CSc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000100102686 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CSc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000100102694 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)COc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000100102785 KK Annotated Anodyne CCO[C@@H]1CC[C@@H](CN2C[C@H](c3ccccn3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1 ZINC000100104733 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100105268 KK Annotated Mild CCC/C(=C\Oc1ccc(C(=O)c2ccccc2)c(O)c1)C(=O)OOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000100112661 KK Annotated Reactive COc1cc(/C=C/C(=O)c2c(NCCc3ccccc3)sc(-c3ccc(O)c(OC)c3)cc2=O)ccc1O ZINC000100115836 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/Cc3ccco3)S[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000100115843 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/Cc3ccco3)S[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000100115847 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/CCc3ccccc3)S[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000100115869 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/CCc3ccccc3)S[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000100115872 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@H](c3ccc(O)c(OC)c3)SC(NCc3ccco3)=N2)ccc1O ZINC000100115892 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@@H](c3ccc(O)c(OC)c3)SC(NCc3ccco3)=N2)ccc1O ZINC000100115894 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@H](c3ccc(O)c(OC)c3)SC(NCCc3ccccc3)=N2)ccc1O ZINC000100115897 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=C[C@@H](c3ccc(O)c(OC)c3)SC(NCCc3ccccc3)=N2)ccc1O ZINC000100115899 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(NCCc3ccccc3)S[C@H](c3ccc(O)c(OC)c3)CC2=O)ccc1O ZINC000100115914 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(NCCc3ccccc3)S[C@@H](c3ccc(O)c(OC)c3)CC2=O)ccc1O ZINC000100115918 KK Annotated Mild COc1cc(-c2cc(=O)c3c(s2)N(c2ccc(OC)c(OC)c2)[C@@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000100115935 KK Annotated Anodyne COc1cc(-c2cc(=O)c3c(s2)N(c2ccc(OC)c(OC)c2)[C@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000100115936 KK Annotated Anodyne Cc1ccc(/N=C2\S/C(=C3/C(=O)Nc4ccc(Br)cc43)C(=O)N2c2ccc(C)cc2)cc1 ZINC000100138440 KK Annotated Mild Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5coc6ccccc56)ccc4[nH]1)C3=CC2=O ZINC000100146968 KK Annotated Mild in-man Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5coc6ccccc56)ccc4[nH]1)C3=CC2=O ZINC000100146971 KK Annotated Mild in-man CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000100157205 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(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 ZINC000100201895 KK Annotated Mild in-vitro CC(/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(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 ZINC000100201902 KK Annotated Mild in-vitro CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000100201993 KK Annotated Bother in-man metabolite C=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)c(C=O)c6CC)c(C)c5c(=O)[c-]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C ZINC000100202494 KK Annotated Bother in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000100202914 KK Annotated Bother in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000100202920 KK Annotated Bother in-vitro C=Cc1c(C)c2cc3[nH]c(cc4nc(c(/C=C/C(=O)O)c4C)c4c5[nH]c(cc1n2)c(C)c5c(=O)[c-]4C(=O)OC)c(C)c3C=C ZINC000100203058 KK Annotated Bother in-vitro C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000100203284 KK Annotated Bother in-vitro C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000100203288 KK Annotated Bother in-vitro CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100203926 KK Annotated Bother in-vitro CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000100203931 KK Annotated Bother in-vitro C/C(S)=c1\c(C)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)/c3=C(\C)S ZINC000100205569 KK Annotated Bother in-vitro C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100220450 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100220452 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100220454 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000100220457 KK Annotated Mild CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000100236341 KK Annotated Anodyne in-vitro CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000100236346 KK Annotated Anodyne in-vitro CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000100255846 KK Annotated Bother in-man metabolite CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000100255851 KK Annotated Bother in-man metabolite CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000100255855 KK Annotated Bother in-man metabolite CN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C(CCCO)=C[C@@H]2N(Cc2sc3ccccc3c2Cl)[C@H]1c1ccc(CN2CCCC2)cc1 ZINC000100264079 KK Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C(CCCO)[C@@H]2[C@H](c2ccc(CN3CCCC3)cc2)N1Cc1sc2ccccc2c1Cl ZINC000100264082 KK Annotated Anodyne COc1ccc(COC[C@@]23N=C4SCc5ccccc5C(=O)N4[C@H](c4ccccc4O2)[C@H]3COC(=O)c2ccccc2)cc1 ZINC000100264167 KK Annotated Anodyne COc1ccc(COC[C@@]23N=C4SCCCN4[C@H](c4ccccc4O2)[C@H]3COC(=O)c2ccccc2)cc1 ZINC000100264259 KK Annotated Anodyne COc1ccc(COC[C@@]23N=C4SCc5ccccc5CN4[C@H](c4ccccc4O2)[C@H]3COC(=O)c2ccccc2)cc1 ZINC000100264286 KK Annotated Anodyne COc1ccc(CN2/C(=N\P(=O)(Oc3ccccc3)Oc3ccccc3)Cc3ccccc3[C@H]2C2CC2)cc1 ZINC000100264397 KK Annotated Mild COc1ccc(CN2/C(=N\P(=O)(Oc3ccccc3)Oc3ccccc3)Cc3ccccc3[C@@H]2C2CC2)cc1 ZINC000100264399 KK Annotated Mild CN1/C(=C2/S/C(=N/c3ccc4ncccc4c3)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 ZINC000100266269 KK Annotated Mild CN1/C(=C2\S/C(=N/c3ccc4ncccc4c3)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 ZINC000100266273 KK Annotated Mild CC1(C)C=C(c2ccc(/C=C3\CCC/C(=C\c4ccc(C5=CCC(C)(C)NC5(C)C)s4)C3=O)s2)CC(C)(C)N1 ZINC000100291930 KK Annotated Mild CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000100294526 KK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000100294529 KK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000100294534 KK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@H](c1ccc(Cl)cc1Cl)N1CCOCC1 ZINC000100294538 KK Annotated Anodyne CO[C@H]1C[C@@]2(O)/C(CO)=C\C=C\[C@H](C)C/C(C)=C/C[C@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C)O4)O3)OC(=O)[C@@H]2C=C1C ZINC000100302024 KK Annotated Anodyne in-vitro CC(/C=C/C[C@H](C)/C=C(\C)CC[C@@H]1CC=CC(=O)O1)=C\[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000100302801 KK Annotated Anodyne in-vitro CC(/C=C/C[C@@H](C)/C=C(\C)CC[C@@H]1CC=CC(=O)O1)=C\[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000100302803 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100302815 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100302818 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100302822 KK Annotated Anodyne in-vitro CC(/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)=C\C[C@H]1O[C@@]2(CC[C@H](C)[C@H](/C=C/C(C)=C/C(=O)O)O2)CC[C@H]1C ZINC000100303168 KK Annotated Anodyne in-vitro CC(/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)=C\C[C@H]1O[C@@]2(CC[C@H](C)[C@H](/C=C/C(C)=C/C(=O)O)O2)CC[C@@H]1C ZINC000100303171 KK Annotated Anodyne in-vitro CO[C@@H]1C(O)=C2C(=O)O/C(C)=C/C=C/C=C/C=C\C[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@@H]1O ZINC000100303395 KK Annotated Anodyne in-vitro CO[C@@H]1C(O)=C2C(=O)O/C(C)=C/C=C/C=C/C=C\C[C@@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@]2(C)[C@@H]1O ZINC000100303397 KK Annotated Anodyne in-vitro CO[C@@H]1C(O)=C2C(=O)O/C(C)=C/C=C/C=C/C=C\C[C@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@@H]1O ZINC000100303398 KK Annotated Anodyne in-vitro CO[C@@H]1C(O)=C2C(=O)O/C(C)=C/C=C/C=C/C=C\C[C@@H](c3ccccc3)NC(=O)/C=C/C=C/C=C/C=C/[C@@]2(C)[C@@H]1O ZINC000100303402 KK Annotated Anodyne in-vitro CO[C@H]1/C=C\C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)CCC(C)C)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000100303916 KK Annotated Anodyne in-vitro CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000100305642 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100305848 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100305850 KK Annotated Anodyne in-vitro CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)Nc1cc(O)c(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)c(Cl)c1O ZINC000100306017 KK Annotated Mild in-vitro CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=CC(=O)C(/C=C/C=C/C=C/C(=O)NC2=C(O)CCC2=O)=C(Cl)C1=O ZINC000100306024 KK Annotated Mild in-vitro CO[C@H]1C[C@@]2(O)/C(CO)=C\C=C/[C@@H](C)C/C(C)=C\C[C@H]3C[C@@H](C[C@@]4(CC[C@@H](C)[C@@H](C(C)C)O4)O3)OC(=O)[C@H]2C=C1C ZINC000100306458 KK Annotated Anodyne in-vitro CO[C@H]1C[C@@]2(O)/C(CO)=C\C=C/[C@@H](C)C/C(C)=C\C[C@H]3C[C@@H](C[C@@]4(CC[C@H](C)[C@@H](C(C)C)O4)O3)OC(=O)[C@H]2C=C1C ZINC000100306464 KK Annotated Anodyne in-vitro CO[C@H]1C[C@@]2(O)/C(CO)=C\C=C/[C@@H](C)C/C(C)=C\C[C@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C(C)C)O4)O3)OC(=O)[C@H]2C=C1C ZINC000100306469 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000100306591 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1)C3 ZINC000100306594 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1)C3 ZINC000100306597 KK Annotated Anodyne in-vitro CO[C@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H]1[C@@]42O)O[C@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306857 KK Annotated Anodyne in-vitro CO[C@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H]1[C@@]42O)O[C@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306860 KK Annotated Anodyne in-vitro CO[C@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H]1[C@@]42O)O[C@@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306865 KK Annotated Anodyne in-vitro CO[C@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H]1[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306867 KK Annotated Anodyne in-vitro CC1=C[C@@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C(\C)[C@]2(O)CC1=O)O[C@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306872 KK Annotated Mild in-vitro CC1=C[C@@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C(\C)[C@]2(O)CC1=O)O[C@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306878 KK Annotated Mild in-vitro CC1=C[C@@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C(\C)[C@]2(O)CC1=O)O[C@@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306882 KK Annotated Mild in-vitro CC1=C[C@@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C(\C)[C@]2(O)CC1=O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000100306889 KK Annotated Mild in-vitro CC[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C3\CO[C@H]4C(=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100306913 KK Annotated Mild in-vitro CC[C@@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C3\CO[C@H]4C(=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100306916 KK Annotated Mild in-vitro CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C3\CO[C@H]4C(=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100306921 KK Annotated Mild in-vitro CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C3\CO[C@H]4C(=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100306926 KK Annotated Mild in-vitro CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C\C=C4\CO[C@@H]([C@H]1O)[C@@]42O)O[C@]1(CC[C@@H](C)[C@@H](C)O1)C3 ZINC000100307038 KK Annotated Anodyne in-vitro CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@H](C)/C=C\C=C4\CO[C@@H]([C@H]1O)[C@@]42O)O[C@]1(CC[C@@H](C)[C@@H](C)O1)C3 ZINC000100307042 KK Annotated Anodyne in-vitro CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@H](C)/C=C/C=C4/CO[C@@H]([C@H]1O)[C@@]42O)O[C@]1(CC[C@@H](C)[C@@H](C)O1)C3 ZINC000100307050 KK Annotated Anodyne in-vitro CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000100307260 KK Annotated Anodyne in-vitro CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000100307264 KK Annotated Anodyne in-vitro CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@@]1(C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1)C3 ZINC000100307271 KK Annotated Anodyne in-vitro CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@@]1(C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1)C3 ZINC000100307277 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@]2(C[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000100307908 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@]2(C[C@H](O)[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100307912 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@@]2(C[C@H](O)[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100307917 KK Annotated Anodyne in-vitro CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C/[C@H]3CCC[C@@H](C)[C@H]3[C@@H](C)/C(O)=C3/C(=O)COC3=O)CO)O2)O1 ZINC000100307977 KK Annotated Mild in-vitro CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C/[C@H]3CCC[C@@H](C)[C@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000100307981 KK Annotated Mild in-man CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C\[C@H]3CCC[C@@H](C)[C@H]3[C@@H](C)/C(O)=C3/C(=O)COC3=O)CO)O2)O1 ZINC000100307985 KK Annotated Mild in-vitro CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C\[C@H]3CCC[C@@H](C)[C@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000100307989 KK Annotated Mild in-vitro C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@@H](C2)N3C)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000100355935 KK Annotated Mild in-man C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1O ZINC000100355943 KK Annotated Mild in-man C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@@H](C2)N3C)[C@@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000100355947 KK Annotated Mild in-man C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@@H](C)CC[C@@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1O ZINC000100355952 KK Annotated Mild in-man C=CC1=C(C)C2=N[C@@H]1CC1=N[C@@H](Cc3[nH]c(c(CCC(=O)O)c3C)C[C@H]3N=C(C2)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C ZINC000100359599 KK Annotated Anodyne in-man CC1=CC(=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=C/[C@H]1C(C)=CC(=O)CC1(C)C ZINC000100359645 KK Annotated Mild in-man endogenous CC1=CC(=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=C/[C@@H]1C(C)=CC(=O)CC1(C)C ZINC000100359654 KK Annotated Mild in-man endogenous CC1=CC(=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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000100360255 KK Annotated Mild in-man endogenous CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@@H]2O ZINC000100360852 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@@H]2O ZINC000100360857 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@@H]2O ZINC000100360861 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@@H]2O ZINC000100360869 KK Annotated Anodyne CC[N+](C)(CC)CCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OCCC[N+](C)(CC)CC)[C@H]1c1ccccc1 ZINC000100372402 KK Annotated Bother in-man O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1C/C=C\CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000100378214 KK Annotated Anodyne CN1[C@@H]2CC[C@@H]1CC(Nc1nc(-c3ccccc3Cl)c3c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC3)C2 ZINC000100393744 KK Annotated Anodyne CN1[C@H]2CC[C@H]1CC(Nc1nc(-c3ccccc3Cl)c3c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC3)C2 ZINC000100393749 KK Annotated Anodyne O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000100419988 KK Annotated Anodyne O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000100419994 KK Annotated Anodyne O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1O ZINC000100420000 KK Annotated Anodyne COc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000100420008 KK Annotated Anodyne COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)S/C1=N/c1ccc(Br)cc1 ZINC000100429324 KK Annotated Mild COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)S/C1=N/c1ccccc1Br ZINC000100429329 KK Annotated Mild COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)S/C1=N/c1ccccc1C(F)(F)F ZINC000100429353 KK Annotated Mild COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)S/C1=N/c1ccccc1F ZINC000100429380 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1S/C(=N\c2cccc(C)c2C)N(/N=C/c2cccc(OC)c2OC)C1=O ZINC000100431908 KK Annotated Mild O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N\c3ccc(Cl)cc3)S2)cc1 ZINC000100444680 KK Annotated Mild CC1=NN(c2ccc(C)cc2C)C(=O)[C@@H]1C(c1ccccc1O)[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000100471069 KK Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(c1ccccc1O)[C@@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000100471078 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1[C@@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100511036 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1[C@@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100511043 KK Annotated Anodyne O=C1C(=O)N(c2ccccn2)[C@H](c2ccc(Br)cc2)/C1=C(/O)c1ccc(Br)cc1 ZINC000100543876 KK Annotated Mild O=C1C(=O)N(c2ccccn2)[C@@H](c2ccc(Br)cc2)/C1=C(/O)c1ccc(Br)cc1 ZINC000100543880 KK Annotated Mild COc1cc2c(cc1OC)[C@@]1(N=C3C2=C(Cc2ccccc2)NN3c2ccccc2)C(=O)Nc2ccccc21 ZINC000100546818 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N=C3C2=C(Cc2ccccc2)NN3c2ccccc2)C(=O)Nc2ccccc21 ZINC000100546822 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1[C@@H](c1ccccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100573489 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1[C@@H](c1ccccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000100573490 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000100574980 KK Annotated Mild CCCCCc1cc(OCCCCC2C(=O)c3ccccc3C2=O)c2c(c1)OC(C)(C)[C@@H]1CCC(CF)=C[C@@H]21 ZINC000100575049 KK Annotated Clean c1ccc(C2C(c3nc4ccc(C5=NCCN5)cc4[nH]3)C(c3ccccc3)C2c2nc3ccc(C4=NCCN4)cc3[nH]2)cc1 ZINC000100575889 KK Annotated Anodyne CC(C)NC(=N)c1ccc2nc(C3C(c4ccccc4)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)C3c3ccccc3)[nH]c2c1 ZINC000100575891 KK Annotated Anodyne c1csc(C2C(c3nc4ccc(C5=NCCN5)cc4[nH]3)C(c3cccs3)C2c2nc3ccc(C4=NCCN4)cc3[nH]2)c1 ZINC000100575897 KK Annotated Anodyne CC1(C)CC(=O)C(C(c2ccc(/C(Br)=C/c3ccccc3)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100577585 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100577764 KK Annotated Mild in-man endogenous CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100577769 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100577772 KK Annotated Mild in-man endogenous CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100577777 KK Annotated Mild in-man endogenous C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)CC(=O)[C@@H]2CN(c3ccc(-c4ccccc4)cc3)CN2C1=O ZINC000100617197 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]1CN2c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 ZINC000100623501 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 ZINC000100623512 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@H]1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000100623803 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000100623807 KK Annotated Anodyne CN1C/C=C\CCNC(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)CS1(=O)=O ZINC000100625758 KK Annotated Anodyne N=C(c1ccccc1)n1c(=N)ccc2nc(-c3ccc(C4(N)CC(F)(F)C4)cc3)c(-c3ccccc3)cc21 ZINC000100627942 KK Annotated Anodyne N=C(O)n1c(=N)ccc2nc(-c3ccc(C4(NC(=O)Cc5cccnc5)CCC4)cc3)c(-c3ccccc3)cc21 ZINC000100627962 KK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(-c2cccnc2)cc1 ZINC000100637022 KK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000100637060 KK Annotated Anodyne CC(C)(C)Oc1ccc(C(=O)C[C@@H]2CC[C@@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cc1 ZINC000100637070 KK Annotated Anodyne CCCc1c([C@H](C)c2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638534 KK Annotated Anodyne CCCc1c([C@@H](C)c2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638537 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](c3cnco3)CC2)c2ncnn12 ZINC000100638616 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(O)(CC)CC)CC2)c2nc(C)nn12 ZINC000100638630 KK Annotated Anodyne CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C(C)(C)O)CC2)c2ncnn12 ZINC000100638633 KK Annotated Anodyne CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C(C)(C)O)CC2)c2ncnn12 ZINC000100638634 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(O)(CC)CC)CC2)c2ncnn12 ZINC000100638642 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC3(C#N)CCC3)CC2)c2ncnn12 ZINC000100638644 KK Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC3(CO)CCC3)CC2)c2ncnn12 ZINC000100638647 KK Annotated Anodyne CCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638648 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C(C)(C)O)CC2)c2ncnn12 ZINC000100638654 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C(C)(C)O)CC2)c2ncnn12 ZINC000100638656 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C#N)CC2)c2nc(C)nn12 ZINC000100638660 KK Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C#N)CC2)c2nc(C)nn12 ZINC000100638664 KK Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](Oc3ccc(O)cc3)CC2)c2ncnn12 ZINC000100638670 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@H](Oc3ccc(O)cc3)CC2)c2ncnn12 ZINC000100638671 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C(C)(C)O)CC2)c2ncnn12 ZINC000100638707 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C(C)(C)O)CC2)c2ncnn12 ZINC000100638709 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@H](CC)C(C)(C)O)CC2)c2ncnn12 ZINC000100638725 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](O[C@@H](CC)C(C)(C)O)CC2)c2ncnn12 ZINC000100638726 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2nc(C)nn12 ZINC000100638735 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC3(C(C)(C)O)CC3)CC2)c2ncnn12 ZINC000100638738 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@](C)(OCC(C)(C)O)CC2)c2ncnn12 ZINC000100638753 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ccnn12 ZINC000100638761 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OCC(C)=O)CC2)c2ccnn12 ZINC000100638768 KK Annotated Anodyne O=C(C[C@@H]1CC[C@@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000100638921 KK Annotated Anodyne CCCCCN(CCCCC)C(=O)[C@@H](C[C@@H]1C(=O)Nc2ccccc21)NC(=O)c1cnc2ccccc2c1 ZINC000100650641 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c3c2c(c1-c1c(C)cc2c(C(C)C)c(O)c(O)c4c2c1OC4=N)OC3=N ZINC000100652563 KK Annotated Clean C/C(=C\c1csc(C)n1)[C@@H]1C/C=C(/C(F)(F)F)C/C=C/[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000100658963 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000100675961 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 ZINC000100675964 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000100675972 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 ZINC000100675975 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000100681156 KK Annotated Anodyne CCCCCCCCCCN(CCCCCCCCCC)C[C@H](O)c1ccc(Cl)c2ccccc12 ZINC000100691333 KK Annotated Mild CCCCCCCCCCN(CCCCCCCCCC)C[C@@H](O)c1ccc(Cl)c2ccccc12 ZINC000100691334 KK Annotated Mild O=C(COc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000100703021 KK Annotated Clean Cc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)c1 ZINC000100703111 KK Annotated Clean Oc1nc2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2cc(-c3ccccc3)nn2-c2ccccc2)C1 ZINC000100704057 KK Annotated Anodyne Oc1nc2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2cc(-c3ccccc3)nn2-c2ccccc2)C1 ZINC000100704060 KK Annotated Anodyne CCCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1I ZINC000100704065 KK Annotated Mild CCCCCO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1I ZINC000100704068 KK Annotated Mild CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2I)C2=C(O)CC(C)(C)CC2=N1 ZINC000100704171 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2I)C2=C(O)CC(C)(C)CC2=N1 ZINC000100704173 KK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704313 KK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704316 KK Annotated Anodyne COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3Cl)nc(O)c21 ZINC000100704410 KK Annotated Anodyne COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3Cl)nc(O)c21 ZINC000100704413 KK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@@H]2c2cccc(Br)c2)CCC1 ZINC000100704491 KK Annotated Anodyne OC1=C2C(=Nc3nc(SCc4ccccc4F)nc(O)c3[C@H]2c2cccc(Br)c2)CCC1 ZINC000100704492 KK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704697 KK Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704700 KK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704728 KK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc1 ZINC000100704731 KK Annotated Anodyne CCN(CC)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704826 KK Annotated Anodyne CCN(CC)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4F)nc(O)c32)cc1 ZINC000100704828 KK Annotated Anodyne O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1F ZINC000100705957 KK Annotated Bother O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 ZINC000100706012 KK Annotated Bother COc1ccc(CO[C@@H]2[C@H](OCc3ccccc3)[C@@H](Sc3ccccc3)O[C@@H]3CO[C@@H](c4ccc(OC)cc4)O[C@@H]23)cc1 ZINC000100719399 KK Annotated Anodyne Cc1ccc(S[C@@H]2O[C@@H]3CO[C@@H](c4ccc(C)cc4)O[C@H]3[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000100719400 KK Annotated Anodyne O=[S@@](c1ccccc1)[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000100719401 KK Annotated Anodyne COc1ccc(CO[C@@H]2[C@H](OCc3ccccc3)[C@@H](Sc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]23)cc1 ZINC000100719402 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000100719404 KK Annotated Anodyne c1ccc(CO[C@H]2[C@H]3O[C@@H](c4ccccc4)OC[C@H]3O[C@@H](Sc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000100719408 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OCc2ccc(OC)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000100719430 KK Annotated Anodyne FC(F)(F)c1cc(CN(Cc2cccc3c2NCC3)c2ncc(N3CCOCC3)cn2)cc(C(F)(F)F)c1 ZINC000100724824 KK Annotated Anodyne Brc1cccc(C2(c3cccc(Br)c3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 ZINC000100729117 KK Annotated Anodyne Brc1cccc(C2(c3cccc(Br)c3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 ZINC000100729126 KK Annotated Anodyne Cc1ccc([C@@H](C#N)NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)o1 ZINC000100730630 KK Annotated Mild Cc1ccc([C@H](C#N)NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)o1 ZINC000100730631 KK Annotated Mild Cc1ccc([C@@H](C#N)NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)o1 ZINC000100730632 KK Annotated Mild Cc1ccc([C@H](C#N)NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)o1 ZINC000100730633 KK Annotated Mild Cc1ccsc1[C@@H](C#N)NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1 ZINC000100730674 KK Annotated Mild Cc1ccsc1[C@H](C#N)NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1 ZINC000100730677 KK Annotated Mild Cc1ccsc1[C@@H](C#N)NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1 ZINC000100730681 KK Annotated Mild Cc1ccsc1[C@H](C#N)NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1 ZINC000100730685 KK Annotated Mild CCC[C@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(C(C)(C)C)o1 ZINC000100730704 KK Annotated Anodyne CCC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(C(C)(C)C)o1 ZINC000100730706 KK Annotated Anodyne CCC[C@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(CC)o1 ZINC000100730708 KK Annotated Anodyne CCC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(CC)o1 ZINC000100730710 KK Annotated Anodyne CC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)cc1)C1CCCCC1)C(=O)c1nc2ncccc2o1 ZINC000100730783 KK Annotated Anodyne CC[C@H](NC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)c(Cl)c1)C1CCCCC1)C(=O)c1nc2ncccc2o1 ZINC000100730810 KK Annotated Anodyne CC[C@@H](NC(=O)[C@H](NC(=O)c1ccc(-c2ccccc2Cl)c(Cl)c1)C1CCCCC1)C(=O)c1nc2ncccc2o1 ZINC000100730812 KK Annotated Anodyne CC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)c(Cl)c1)C1CCCCC1)C(=O)c1nc2ncccc2o1 ZINC000100730813 KK Annotated Anodyne CC[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)c(Cl)c1)C1CCCCC1)C(=O)c1nc2ncccc2o1 ZINC000100730816 KK Annotated Anodyne CC[C@H](NC(=O)[C@@H](C[C@H](C)c1ccccc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ncccc2o1 ZINC000100730838 KK Annotated Anodyne CC[C@@H](NC(=O)[C@@H](C[C@H](C)c1ccccc1)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ncccc2o1 ZINC000100730841 KK Annotated Anodyne C[C@@H](C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)N[C@H]1CCO[C@]1(O)c1nc2ccccc2o1)c1ccccc1 ZINC000100730862 KK Annotated Anodyne C[C@@H](C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)N[C@H]1CCO[C@]1(O)c1nc2ccccc2o1)c1ccccc1 ZINC000100730866 KK Annotated Anodyne C[C@@H](C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)N[C@H]1CCO[C@@]1(O)c1nc2ccccc2o1)c1ccccc1 ZINC000100730868 KK Annotated Anodyne C[C@@H](C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)N[C@H]1CCO[C@@]1(O)c1nc2ccccc2o1)c1ccccc1 ZINC000100730870 KK Annotated Anodyne CC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)nc1)[C@H](O)c1nc2ccccc2o1 ZINC000100730917 KK Annotated Anodyne CC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)nc1)[C@@H](O)c1nc2ccccc2o1 ZINC000100730918 KK Annotated Anodyne CCc1nnc(C(=O)[C@H](CC)NC(=O)[C@H](C[C@H](C)c2ccccc2)NC(=O)c2ccc(-c3ccccc3Cl)nc2)o1 ZINC000100730925 KK Annotated Anodyne CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)CC1 ZINC000100731013 KK Annotated Mild N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)CCSCC1 ZINC000100731025 KK Annotated Mild N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)CCOCC1 ZINC000100731065 KK Annotated Mild C#C[C@H](CCC)NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2cc(C(=O)O)ccc2Cl)cc1 ZINC000100731083 KK Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](C[C@H](C)c2ccccc2)NC(=O)c2ccc(-c3cc(C(=O)OC)ccc3Cl)cc2)CC1 ZINC000100731084 KK Annotated Mild N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)CCN(C2CC2)CC1 ZINC000100731085 KK Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](C[C@H](C)c2ccccc2)NC(=O)c2ccc(-c3ccccc3Cl)cc2)CC1 ZINC000100731091 KK Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)CC1 ZINC000100731096 KK Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](C[C@H](C)c2ccccc2)NC(=O)c2ccc(-c3ccccc3Cl)nc2)CC1 ZINC000100731111 KK Annotated Mild N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)CCN(C2CC2)CC1 ZINC000100731122 KK Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3c(Cl)cccc3Cl)nc2)CC1 ZINC000100731142 KK Annotated Mild COC(=O)c1ccc(Cl)c(-c2ccc(C(=O)N[C@@H](C[C@H](C)c3ccccc3)C(=O)NC3(C#N)CCOCC3)cc2)c1 ZINC000100731172 KK Annotated Mild CCN1CCC(C#N)(NC(=O)[C@H](Cc2c(F)cc(OC)cc2F)NC(=O)c2ccc(-c3ccccc3Cl)cc2)CC1 ZINC000100731230 KK Annotated Mild CC1=CCCC(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=C/[C@]12O[C@@]1(C)CCCC2(C)C ZINC000100735895 KK Annotated Bother CC1=CCCC(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=C/[C@]12O[C@@]1(C)CCCC2(C)C ZINC000100735896 KK Annotated Bother CC1=CCCC(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=C/[C@@]12O[C@@]1(C)CCCC2(C)C ZINC000100735898 KK Annotated Bother CC1=CCCC(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=C/[C@@]12O[C@@]1(C)CCCC2(C)C ZINC000100735899 KK Annotated Bother CC(C)=CC[C@@]1(CC(CCC(C)C)=C(C)C)C(O)=C([C@@H](CC(=O)O)c2ccccc2)C(=O)[C@@H]2C(=O)[C@@H](C)[C@@H](C)O[C@H]21 ZINC000100735919 KK Annotated Mild CC(C)=CC[C@@]1(CC(CCC(C)C)=C(C)C)C(O)=C([C@@H](CC(=O)O)c2ccccc2)C(=O)[C@@H]2C(=O)[C@@H](C)[C@@H](C)O[C@@H]21 ZINC000100735920 KK Annotated Mild CC(C)=CC[C@@]1(CC(CCC(C)C)=C(C)C)C(O)=C([C@@H](CC(=O)O)c2ccccc2)C(=O)[C@H]2C(=O)[C@@H](C)[C@@H](C)O[C@H]21 ZINC000100735924 KK Annotated Mild CC(C)=CC[C@@]1(CC(CCC(C)C)=C(C)C)C(O)=C([C@@H](CC(=O)O)c2ccccc2)C(=O)[C@H]2C(=O)[C@@H](C)[C@@H](C)O[C@@H]21 ZINC000100735926 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1NCCc3cc(OC)c4c(c31)Oc1c(cc3c(c1OC)C(=NCC3)C2)O4 ZINC000100735932 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)N(C)CC4 ZINC000100735939 KK 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@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000100735942 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000100735944 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000100735945 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000100735946 KK Annotated Bother 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=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000100735948 KK Annotated Bother 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=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000100735949 KK Annotated Bother 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=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000100735950 KK Annotated Bother 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000100735952 KK Annotated Bother COC1=C2OCc3ccc(cc3)C[C@@H]3c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC4=C(C2=O)C(=C1)CCN4)CCN3C ZINC000100735984 KK Annotated Mild CCCC[C@H](CC)COC1=CC(=O)/C(=C2\N=C(c3ccc(OC)cc3)N/C(=C3/C=CC(OC[C@H](CC)CCCC)=CC3=O)N2)C=C1 ZINC000100736009 KK Annotated Mild in-vitro CCCC[C@H](CC)COC1=CC(=O)/C(=C2\N=C(c3ccc(OC)cc3)N/C(=C3/C=CC(OC[C@@H](CC)CCCC)=CC3=O)N2)C=C1 ZINC000100736010 KK Annotated Mild in-vitro CCCC[C@@H](CC)COC1=CC(=O)/C(=C2\N=C(c3ccc(OC)cc3)N/C(=C3/C=CC(OC[C@H](CC)CCCC)=CC3=O)N2)C=C1 ZINC000100736011 KK Annotated Mild in-vitro Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000100751951 KK Annotated Anodyne COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000100751974 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCCCCCCCCC ZINC000100755713 KK Annotated Mild Cc1ccc(S(=O)(=O)NC[C@@H]2[C@@H]3C[C@](c4ccc(-c5ccccc5)cc4)(CO3)[C@H]2CCCCCC(=O)O)cc1 ZINC000100756608 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2[C@H](CCCCCC(=O)O)[C@]3(c4ccc(-c5ccccc5)cc4)CO[C@@H]2C3)cc1 ZINC000100756615 KK Annotated Anodyne O=C(O)CCc1ccccc1C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1c1nc(C(=O)OCCCCC2CCCCC2)co1 ZINC000100756974 KK Annotated Anodyne CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@@H]2C[C@](c3ccc(-c4ccccc4)cc3)(CO2)[C@H]1C/C=C/CCCC(=O)O ZINC000100757200 KK Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@]2(c3ccc(-c4ccccc4)cc3)CO[C@@H]1C2 ZINC000100757207 KK Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c1)C1CC1)CCCCCC2 ZINC000100763204 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)c1)C1CC1)CCCCCC2 ZINC000100763207 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc(Br)c3)c1)C1CC1)CCCCCC2 ZINC000100763952 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc(Br)c3)c1)C1CC1)CCCCCC2 ZINC000100763955 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3Cl)c1)C1CC1)CCCCCC2 ZINC000100764112 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3Cl)c1)C1CC1)CCCCCC2 ZINC000100764116 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c1)C1CC1)CCCCCC2 ZINC000100764118 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c1)C1CC1)CCCCCC2 ZINC000100764121 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc4ccccc4n3)c1)C1CC1)CCCCCC2 ZINC000100764123 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc4ccccc4n3)c1)C1CC1)CCCCCC2 ZINC000100764126 KK Annotated Anodyne N#Cc1ccccc1S(=O)(=O)Nc1cccc([C@@H](c2c(O)oc3c(c2=O)CCCCCC3)C2CC2)c1 ZINC000100764398 KK Annotated Mild N#Cc1ccccc1S(=O)(=O)Nc1cccc([C@H](c2c(O)oc3c(c2=O)CCCCCC3)C2CC2)c1 ZINC000100764401 KK Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000100764411 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000100764414 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc4cccnc34)c1)C1CC1)CCCCCC2 ZINC000100764428 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc4cccnc34)c1)C1CC1)CCCCCC2 ZINC000100764432 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c1)C1CC1)CCCCCC2 ZINC000100764561 KK Annotated Bother O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c1)C1CC1)CCCCCC2 ZINC000100764562 KK Annotated Bother N#Cc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000100764717 KK Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2 ZINC000100764943 KK Annotated Bother O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c1)C1CC1)CCCCCC2 ZINC000100764945 KK Annotated Bother C=CC(C)(C)c1c(C2=C(O)C(O)=C(c3cn(C)c4c(CC=C(C)C)cccc34)C(=O)C2=O)c2ccccc2n1C ZINC000100766095 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(O)=C(c2cn(C)c3c(CC=C(C)C)cccc23)C(=O)C1=O ZINC000100767422 KK Annotated Mild C=CC1=C(C)C2=N[C@@H]1CC1=N[C@H](Cc3[nH]c(c(CCC(=O)O)c3C)C[C@@H]3N=C(C2)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C ZINC000100769370 KK Annotated Anodyne in-man endogenous CC[C@@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000100771543 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000100771544 KK Annotated Mild in-man endogenous CC[C@@H](C)[C@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000100771546 KK Annotated Mild in-man endogenous CC[C@H](C)[C@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000100771549 KK Annotated Mild in-man endogenous CC(C)C[C@@H]1/N=C(/O)[C@H](/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\N=C/1O ZINC000100771569 KK Annotated Mild in-man endogenous CC(C)C[C@H]1/N=C(/O)[C@H](/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\N=C/1O ZINC000100771570 KK Annotated Mild in-man endogenous CC(C)=CC[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000100771783 KK Annotated Mild in-man endogenous CC(C)=CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000100771784 KK Annotated Mild in-man endogenous CC(C)=CC[C@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000100771786 KK Annotated Mild in-man endogenous C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]12Cc3c(OC(C)=O)ccc(OC(C)=O)c3C[C@@H]1O2 ZINC000100772021 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000100772042 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000100772044 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000100772045 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000100772047 KK Annotated Bother in-man endogenous C/C(=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)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100772307 KK Annotated Bother in-man endogenous C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100772308 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000100772310 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)CCCC2(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 ZINC000100772356 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)CCCC2(C)C ZINC000100772357 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C ZINC000100772358 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@]1(C)CCCC2(C)C ZINC000100772359 KK Annotated Bother in-man endogenous CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@H]2C(C)(C)C1 ZINC000100772714 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@H]2C(C)(C)C1 ZINC000100772715 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)[C@H](O)c4oc5cc(C)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000100772783 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)[C@H](O)c4oc5cc(C)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000100772785 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)[C@@H]2[C@@](C)(C1)c1c(oc2cc(C)cc(O)c12)[C@H]3O ZINC000100772787 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)[C@@H]2[C@@](C)(C1)c1c(oc2cc(C)cc(O)c12)[C@H]3O ZINC000100772791 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000100772793 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000100772795 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@](C)(C1)[C@H]23 ZINC000100772796 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@](C)(C1)[C@H]23 ZINC000100772797 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000100772798 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000100772799 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@](C)(C1)[C@H]23 ZINC000100772800 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@](C)(C1)[C@H]23 ZINC000100772802 KK Annotated Anodyne in-man endogenous CC[C@@H](C)[C@H](/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C)N(C)C ZINC000100772940 KK Annotated Mild in-man endogenous CC[C@H](C)[C@H](/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C)N(C)C ZINC000100772943 KK Annotated Mild in-man endogenous CC[C@@H](C)[C@@H](/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C)N(C)C ZINC000100772945 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H](/C(O)=N/[C@H]1/C(O)=N\[C@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@H]1C(C)C)N(C)C ZINC000100772947 KK Annotated Mild in-man endogenous CC(=O)O[C@H](C[C@]12[C@H]3[C@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@@]1(C)CO[C@@]2(C)CC[C@@H]1O2 ZINC000100773176 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H](C[C@]12[C@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@@]1(C)CO[C@@]2(C)CC[C@@H]1O2 ZINC000100773178 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H](C[C@]12[C@H]3[C@H](C(C)C)CC[C@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@@]1(C)CO[C@@]2(C)CC[C@@H]1O2 ZINC000100773183 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H](C[C@]12[C@H]3[C@@H](C(C)C)CC[C@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@@]1(C)CO[C@@]2(C)CC[C@@H]1O2 ZINC000100773186 KK Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000100773579 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000100773586 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100773697 KK Annotated Mild in-man endogenous C=C(C)[C@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100773699 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100773702 KK Annotated Mild in-man endogenous C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100773707 KK Annotated Mild in-man endogenous CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@]51C ZINC000100773709 KK Annotated Anodyne in-man endogenous CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@]51C ZINC000100773712 KK Annotated Anodyne in-man endogenous CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@H]3CC[C@@]2(C)[C@]51C ZINC000100773716 KK Annotated Anodyne in-man endogenous CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@@H](C(C)(C)O)O[C@H]3CC[C@@]2(C)[C@]51C ZINC000100773719 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773721 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773723 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773725 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773727 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773729 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773731 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773732 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000100773734 KK Annotated Anodyne in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100773742 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100773743 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100773745 KK Annotated Bother in-man endogenous C=C(C)CC[C@H](C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000100773861 KK Annotated Mild in-man endogenous C=C(C)CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000100773864 KK Annotated Mild in-man endogenous CC/C=C/[C@@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]5[C@@H](C)[C@@H](C)CC[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@@H]12 ZINC000100774339 KK Annotated Anodyne in-man endogenous CC/C=C/[C@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]5[C@@H](C)[C@@H](C)CC[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@@H]12 ZINC000100774341 KK Annotated Anodyne in-man endogenous CC/C=C/[C@@](C)(O)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]5[C@@H](C)[C@@H](C)CC[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@@H]12 ZINC000100774347 KK Annotated Anodyne in-man endogenous CC/C=C/[C@](C)(O)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@H]5[C@@H](C)[C@@H](C)CC[C@@]5(C)CC[C@@]4(C)[C@@]3(C)CC[C@@H]12 ZINC000100774349 KK Annotated Anodyne in-man endogenous C=Cc1c(C)c2cc3nc(c(/C=C/C(=O)O)c3C)c3c(C(=O)OC)c(O)c4c(C)c(cc5[nH]c(cc1[nH]2)c(C)c5CC)nc43 ZINC000100774809 KK Annotated Bother in-man endogenous CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@@]34C)C1(C)C ZINC000100775509 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@@]34C)C1(C)C ZINC000100775513 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@@]34C)C1(C)C ZINC000100775516 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@@]34C)C1(C)C ZINC000100775518 KK Annotated Anodyne in-man endogenous CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000100777007 KK Annotated Mild in-man endogenous CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000100777008 KK Annotated Mild in-man endogenous CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000100777009 KK Annotated Mild in-man endogenous CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@@H]2C)O3)C[C@@H]1C ZINC000100777012 KK Annotated Anodyne in-man endogenous CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@@H]2C)O3)C[C@@H]1C ZINC000100777015 KK Annotated Anodyne in-man endogenous CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@@H]2C)O3)C[C@@H]1C ZINC000100777017 KK Annotated Anodyne in-man endogenous CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@](O)(CC)[C@@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@@H]2C)O3)C[C@@H]1C ZINC000100777019 KK Annotated Anodyne in-man endogenous CO[C@@H](C)[C@@H]1C[C@@H](C)[C@H]([C@@H](C)/C=C\[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@@H]3CCC[C@@H](C)[C@@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000100777113 KK Annotated Mild in-man endogenous CO[C@H](C)[C@@H]1C[C@@H](C)[C@H]([C@@H](C)/C=C\[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@@H]3CCC[C@@H](C)[C@@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000100777116 KK Annotated Mild in-man endogenous CO[C@@H](C)[C@H]1C[C@@H](C)[C@H]([C@@H](C)/C=C\[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@@H]3CCC[C@@H](C)[C@@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000100777118 KK Annotated Mild in-man endogenous CO[C@H](C)[C@H]1C[C@@H](C)[C@H]([C@@H](C)/C=C\[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@@H]3CCC[C@@H](C)[C@@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000100777122 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000100777209 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000100777211 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000100777212 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000100777214 KK Annotated Mild in-man endogenous CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@@]1(C)C[C@@H]3O ZINC000100777917 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@@]1(C)C[C@@H]3O ZINC000100777918 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H]1CC(C)(C)C[C@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@@]1(C)C[C@@H]3O ZINC000100777920 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H]1CC(C)(C)C[C@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC[C@@]2(C)[C@@]1(C)C[C@@H]3O ZINC000100777921 KK Annotated Anodyne in-man endogenous CCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778118 KK Annotated Mild in-man endogenous CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778120 KK Annotated Mild in-man endogenous CCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778121 KK Annotated Mild in-man endogenous CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778122 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778123 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778124 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778126 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@@H](C)C(C)=CC[C@@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000100778127 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100778227 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000100778230 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100778232 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000100778234 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100778236 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000100778238 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100778241 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000100778242 KK Annotated Bother in-man endogenous C=C1CC[C@@H]2C(C)(C)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@H]1C(C)=CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000100778493 KK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3NC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@H]1C(C)=CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000100778494 KK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3NC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@H]1C(C)=CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000100778497 KK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3NC(C)=O)CC[C@@]2(C)[C@H]1CC[C@@H]1C(C)=CC[C@@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000100778499 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000100778503 KK Annotated Mild in-man endogenous C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000100778505 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000100778507 KK Annotated Mild in-man endogenous C=C1CC[C@@H]2C(C)(C)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)[C@@H]1CC[C@H]1C(C)=CC[C@H](C(=C)C)[C@]1(C)CCC(=O)O ZINC000100778510 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)O[C@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000100778720 KK Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000100778721 KK Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000100778722 KK Annotated Anodyne in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000100778723 KK Annotated Anodyne in-man endogenous CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000100779053 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000100779054 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000100779261 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 ZINC000100779262 KK Annotated Bother in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000100779365 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000100779367 KK Annotated Mild in-man endogenous CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100780189 KK Annotated Anodyne in-man endogenous CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100780191 KK Annotated Anodyne in-man endogenous CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100780192 KK Annotated Anodyne in-man endogenous CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000100780195 KK Annotated Mild in-man endogenous CC1=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)[C@@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100780201 KK Annotated Mild in-man endogenous CC1=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)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100780204 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000100781219 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000100781221 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000100781224 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000100781226 KK Annotated Mild 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@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100781310 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100781312 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100781315 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100781316 KK Annotated Bother in-man endogenous 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(=O)[C@@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100781320 KK Annotated Mild in-man endogenous 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(=O)[C@@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000100781324 KK Annotated Mild in-man endogenous 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(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100781326 KK Annotated Mild in-man endogenous 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(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000100781327 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000100781330 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000100781333 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000100781335 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100781337 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100781340 KK Annotated Mild in-man endogenous C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(F)(F)F ZINC000100781341 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(F)(F)F ZINC000100781346 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(F)(F)F ZINC000100781348 KK Annotated Mild C/C(=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)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100781350 KK Annotated Bother in-man endogenous C/C(=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)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000100781355 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000100781357 KK Annotated Bother in-man endogenous C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100781358 KK Annotated Bother in-man endogenous C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100781363 KK Annotated Bother in-man endogenous C/C(=C/C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000100781367 KK Annotated Bother in-man endogenous CC1=CC(=O)CC(C)(C)/C1=C/C(=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 ZINC000100781499 KK Annotated Mild in-man endogenous CC1=CC(=O)CC(C)(C)/C1=C/C(=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 ZINC000100781501 KK Annotated Mild in-man endogenous CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=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 ZINC000100781503 KK Annotated Bother in-man endogenous CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=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 ZINC000100781505 KK Annotated Bother in-man endogenous CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=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 ZINC000100781508 KK Annotated Bother in-man endogenous CC(=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)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000100781510 KK Annotated Mild in-man endogenous CC(=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)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000100781512 KK Annotated Mild in-man endogenous CC(=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)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000100781515 KK Annotated Mild in-man endogenous 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@@]2(O)[C@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100781527 KK Annotated Mild in-man endogenous 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@@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100781529 KK Annotated Mild in-man endogenous 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@]2(O)[C@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100781530 KK Annotated Mild in-man endogenous 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@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100781532 KK Annotated Mild in-man endogenous CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000100781548 KK Annotated Bother in-man endogenous CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000100781551 KK Annotated Bother in-man endogenous CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000100781553 KK Annotated Bother in-man endogenous CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000100781554 KK Annotated Bother in-man endogenous CC(C)(C)[C@H](C1=C(O)O[C@@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781647 KK Annotated Mild CC(C)(C)[C@@H](C1=C(O)O[C@@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781652 KK Annotated Mild CC(C)(C)[C@H](C1=C(O)O[C@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781659 KK Annotated Mild CC(C)(C)[C@@H](C1=C(O)O[C@H]2CCCCCC[C@@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000100781665 KK Annotated Mild CCOC(=O)N[C@@H](c1ccc(F)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100781854 KK Annotated Anodyne CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000100781856 KK Annotated Anodyne in-man endogenous CCOC(=O)N[C@@H](c1ccc(F)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100781858 KK Annotated Anodyne CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000100781859 KK Annotated Anodyne in-man endogenous CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(CO)CC[C@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000100781862 KK Annotated Anodyne in-man endogenous CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000100781864 KK Annotated Anodyne in-man endogenous C=C1C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000100781883 KK Annotated Mild in-man endogenous C=C1C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000100781886 KK Annotated Mild in-man endogenous C=C1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000100781889 KK Annotated Mild in-man endogenous C=C1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000100781890 KK Annotated Mild in-man endogenous CCCCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100781946 KK Annotated Anodyne CCCCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100781948 KK Annotated Anodyne CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000100782288 KK Annotated Mild in-man endogenous CCCCCCCC(=O)OCCC[C@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000100782290 KK Annotated Mild in-man endogenous CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@@]1(C)CC[C@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000100782292 KK Annotated Mild in-man endogenous CCCCCCCC(=O)OCCC[C@H]1C(=C(C)C)CC[C@@H]2[C@@]1(C)CC[C@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000100782294 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000100782327 KK Annotated Reactive in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000100782330 KK Annotated Reactive in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000100782332 KK Annotated Reactive in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000100782335 KK Annotated Reactive in-man endogenous CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100782583 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000100782687 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000100782688 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCC(=O)O[C@@]12C=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000100782689 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000100782692 KK Annotated Mild in-man endogenous CCOC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100782801 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100782804 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000100783005 KK Annotated Mild in-man endogenous C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000100783008 KK Annotated Mild in-man endogenous C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100783267 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100783271 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100783275 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000100783278 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100783402 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100783406 KK Annotated Mild in-man endogenous CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100783408 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000100783410 KK Annotated Mild in-man endogenous CCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100783564 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100783567 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100783731 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000100783736 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100783789 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100783791 KK Annotated Anodyne CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000100783823 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000100783825 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@@H](O)[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000100783827 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@H](O)[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000100783832 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100783897 KK Annotated Mild in-man endogenous C=C(C)[C@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100783898 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100783901 KK Annotated Mild in-man endogenous C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000100783903 KK Annotated Mild in-man endogenous CC1(C)CCC[C@]2(C)[C@@H]3CC[C@](O)(CO)[C@H](C[C@@H](O)C4=CC(=O)O[C@@H]4OC(=O)/C=C/c4ccccc4)[C@]3(C)CC[C@H]12 ZINC000100784091 KK Annotated Anodyne in-man endogenous CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@](O)(CO)[C@H](C[C@@H](O)C4=CC(=O)O[C@@H]4OC(=O)/C=C/c4ccccc4)[C@]3(C)CC[C@H]12 ZINC000100784093 KK Annotated Anodyne in-man endogenous CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@](O)(CO)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000100784094 KK Annotated Anodyne in-man endogenous CC1(C)CCC[C@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@](O)(CO)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000100784095 KK Annotated Anodyne in-man endogenous CC(=O)OC[C@@]1(O)CC[C@@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000100784098 KK Annotated Anodyne in-man endogenous CC(=O)OC[C@]1(O)CC[C@@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000100784100 KK Annotated Anodyne in-man endogenous CC(=O)OC[C@@]1(O)CC[C@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000100784103 KK Annotated Anodyne in-man endogenous CC(=O)OC[C@]1(O)CC[C@H]2[C@@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000100784106 KK Annotated Anodyne in-man endogenous CC1=C[C@H](C2=C(C)[C@H]3/C=C(/C)[C@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000100784153 KK Annotated Anodyne in-man endogenous CC1=C[C@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000100784156 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000100784243 KK Annotated Anodyne in-man endogenous CC(=O)O[C@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000100784247 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000100784250 KK Annotated Anodyne in-man endogenous CC(=O)O[C@@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000100784253 KK Annotated Anodyne in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000100784277 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000100784280 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000100784281 KK Annotated Bother in-man endogenous C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(Cl)cc2)[C@@]3(C)C1(C)C ZINC000100784392 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(Cl)cc2)[C@@]3(C)C1(C)C ZINC000100784393 KK Annotated Mild CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100785576 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000100785581 KK Annotated Anodyne C=C(Cl)CN1C[C@H](OC[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)O[C@H](C)[C@H]1C ZINC000100788883 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)O[C@H](C)[C@H]1C ZINC000100788885 KK Annotated Mild CO[C@H]1CN(CC2=CCCCC2)C[C@H](OC[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)O[C@@H]1C ZINC000100799896 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000100803975 KK Annotated Mild CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(NC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000100805180 KK Annotated Clean CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(NC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000100805183 KK Annotated Clean COc1ccc(CCN2[C@@H]3CC[C@@H]2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100806554 KK Annotated Bother Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000100809132 KK Annotated Mild CO[P@](=O)(Cc1c(C(C)C)cccc1C(C)C)NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000100815036 KK Annotated Anodyne N#Cc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000100815708 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2cccc(F)c2)C[C@@H]3c2cccc(F)c2)c1 ZINC000100818636 KK Annotated Mild Fc1cccc([C@H]2C[C@H](c3cccc(F)c3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2cccc(F)c2)N[C@H]3c2cccc(F)c2)c1 ZINC000100818638 KK Annotated Mild O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@H]2[C@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000100822111 KK Annotated Anodyne in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)c1oc3cc(-c4cc5ccc(O)cc5o4)cc(OC(=O)c4ccc(O)cc4O)c3c1C2=O ZINC000100822158 KK Annotated Anodyne in-man C[C@]12C[C@@H](c3ccc(O)cc3O1)c1oc3cc(-c4cc5ccc(O)cc5o4)cc(OC(=O)c4ccc(O)cc4O)c3c1C2=O ZINC000100822159 KK Annotated Anodyne in-man C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000100822222 KK Annotated Anodyne in-man C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000100822223 KK Annotated Anodyne in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000100822224 KK Annotated Anodyne in-man C[C@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000100822226 KK Annotated Anodyne in-man C[C@]12C=C3C(=C(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c43)[C@@H](c3ccc(O)cc3O1)[C@@H]2O ZINC000100822709 KK Annotated Anodyne in-man C[C@@]12C=C3C(=C(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c43)[C@H](c3ccc(O)cc3O1)[C@@H]2O ZINC000100822710 KK Annotated Anodyne in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000100823619 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C ZINC000100823620 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000100823622 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C ZINC000100823624 KK Annotated Mild in-man C[C@]1(C=O)C[C@@H]2[C@@H]3C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@@]2(C)C[C@@H]1OC(=O)c1ccccc1 ZINC000100823665 KK Annotated Mild in-man C[C@]12C[C@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@@H]1[C@@H]1C(=O)C[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@H]2O ZINC000100823666 KK Annotated Mild in-man C[C@]1(C=O)C[C@H]2[C@@H]3C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@@]3(C)C[C@@H](O)[C@@]2(C)C[C@@H]1OC(=O)c1ccccc1 ZINC000100823667 KK Annotated Mild in-man C[C@]12C[C@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@H]1[C@@H]1C(=O)C[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@H]2O ZINC000100823669 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@@H]1C[C@@]2(C)[C@@H](O)C[C@@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C[C@@]1(C)C=O ZINC000100823674 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@H]1C[C@@]2(C)[C@@H](O)C[C@@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C[C@@]1(C)C=O ZINC000100823675 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@@H](O)C[C@@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C[C@@]1(C)C=O ZINC000100823676 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@H]1C[C@]2(C)[C@@H](O)C[C@@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C[C@@]1(C)C=O ZINC000100823677 KK Annotated Mild in-man CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@@H]2[C@@H]3C[C@@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@@]3(C)[C@@H](O)C[C@]21C ZINC000100823678 KK Annotated Mild in-man CC1(C)[C@H]2CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]5C[C@@](C)(C=O)[C@H](OC(=O)c6ccccc6)C[C@@]5(C)[C@@H](O)C[C@]43C)[C@@]2(C)CC[C@H]1O ZINC000100823679 KK Annotated Mild in-man CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@@H]2[C@@H]3C[C@@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@@]3(C)[C@@H](O)C[C@]21C ZINC000100823680 KK Annotated Mild in-man CC1(C)[C@H]2CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]5C[C@@](C)(C=O)[C@H](OC(=O)c6ccccc6)C[C@@]5(C)[C@@H](O)C[C@]43C)[C@]2(C)CC[C@H]1O ZINC000100823681 KK Annotated Mild in-man CC(/C=C\[C@@]12O[C@@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100823704 KK Annotated Bother in-man CC(/C=C\[C@@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100823707 KK Annotated Bother in-man CC(/C=C\[C@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000100823708 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000100823714 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000100823715 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000100823717 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000100823718 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000100823720 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000100823723 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000100823724 KK Annotated Bother in-man O=C(/C=C\[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824451 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824454 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824455 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824458 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824459 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824461 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824462 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100824463 KK Annotated Anodyne in-man C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000100824673 KK Annotated Anodyne in-man C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000100824674 KK Annotated Anodyne in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000100824676 KK Annotated Anodyne in-man C[C@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000100824677 KK Annotated Anodyne in-man CC(=O)C[C@@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000100825900 KK Annotated Mild in-man CC(=O)C[C@@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000100825902 KK Annotated Mild in-man CC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000100825904 KK Annotated Mild in-man CC(=O)C[C@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000100825905 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@@](C)(O)C1 ZINC000100825907 KK Annotated Mild in-man CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@@](C)(O)C1 ZINC000100825908 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@@](C)(O)C1 ZINC000100825909 KK Annotated Mild in-man CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@@](C)(O)C1 ZINC000100825910 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000100825911 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000100825913 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000100825916 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@@H](O)C1(C)C ZINC000100825917 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@@H](O)C1(C)C ZINC000100825918 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@@H](O)C1(C)C ZINC000100825919 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@@H](O)C1(C)C ZINC000100825921 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000100825923 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000100825924 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000100825925 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000100825927 KK Annotated Mild in-man CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000100826287 KK Annotated Bother in-man CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000100826289 KK Annotated Anodyne in-man CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000100826290 KK Annotated Anodyne in-man Cc1cc(SC2=C(O)O[C@@](CCc3nc(C(C)C)cs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100827101 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3csc(CO)c3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100828234 KK Annotated Mild CC[C@@H]1N=C(C)/C(=C(/O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000100828612 KK Annotated Bother CC[C@H]1N=C(C)/C(=C(/O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000100828616 KK Annotated Bother CC[C@@H]1N=C(C)/C(=C(/O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000100828619 KK Annotated Bother CC[C@H]1N=C(C)/C(=C(/O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000100828621 KK Annotated Bother O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@@]3(O)O4)O[C@]12O ZINC000100828820 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@H]2[C@H]3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000100828822 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000100828824 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@@]12O ZINC000100828826 KK Annotated Anodyne in-man COc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4C(O)=CC(c5ccccc5)=N[C@H]34)cc2)cc1OC ZINC000100829020 KK Annotated Anodyne COc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4C(O)=CC(c5ccccc5)=N[C@H]34)cc2)cc1OC ZINC000100829024 KK Annotated Anodyne O=C(/C=C/[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100829132 KK Annotated Anodyne in-man O=C(/C=C/[C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100829134 KK Annotated Anodyne in-man O=C(/C=C/[C@@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100829135 KK Annotated Anodyne in-man O=C(/C=C/[C@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000100829137 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000100830091 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000100830092 KK Annotated Anodyne in-man N#Cc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)oc(C(CC4CC4)CC4CC4)cc3=O)C3CC3)c2)cc1 ZINC000100830351 KK Annotated Mild N#Cc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)oc(C(CC4CC4)CC4CC4)cc3=O)C3CC3)c2)cc1 ZINC000100830352 KK Annotated Mild CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@@]13OO2 ZINC000100831061 KK Annotated Reactive O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100831382 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100831384 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@@H]5CCC[C@@H]4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000100838071 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@H]5CCC[C@H]4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000100838073 KK Annotated Anodyne C=C(Cl)CN1C[C@@H](C)O[C@@H](OC[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)[C@H](F)C1 ZINC000100843981 KK Annotated Mild C=C(Cl)CN1C[C@@H](C)O[C@@H](OC[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)[C@H](F)C1 ZINC000100843984 KK Annotated Mild CC(=O)C1=C(O)SC(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000100844851 KK Annotated Mild CCCC[C@@]1(O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000100847242 KK Annotated Anodyne C=C(Cl)CN1CC[C@H](OC[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)O[C@H](C)C1 ZINC000100847385 KK Annotated Mild C=C(Cl)CN1CC[C@H](OC[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)O[C@H](C)C1 ZINC000100847390 KK Annotated Mild C=C(Cl)CN1CC[C@H](OC[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)O[C@H](C)C1 ZINC000100847393 KK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000100851630 KK Annotated Mild COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C/CCCCCBr)OCO2 ZINC000100878457 KK Annotated Reactive CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000100878721 KK 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=C/[C@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000100878722 KK Annotated Bother C=C(C)CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000100878789 KK Annotated Mild in-man endogenous C=C(C)CC[C@@H](C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000100878791 KK Annotated Mild in-man CN(C)CCC/N=C1\c2c(nc3ccc(Cl)cc3c2O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000100879458 KK Annotated Mild CN(C)CCC/N=C1\c2c(nc3ccc(Cl)cc3c2O)C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000100879464 KK Annotated Mild CN(C)CCC/N=C1\c2c(nc3ccc(Cl)cc3c2O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000100880405 KK Annotated Mild CN(C)CCC/N=C1\c2c(nc3ccc(Cl)cc3c2O)C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000100880408 KK 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=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100880657 KK 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=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000100880659 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C ZINC000100880745 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000100880748 KK Annotated Bother CC(=O)Nc1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 ZINC000100883990 KK Annotated Reactive CC(=O)Nc1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 ZINC000100883992 KK Annotated Reactive C[C@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000100884426 KK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(Cl)cc1Cl ZINC000100884432 KK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000100884437 KK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(Cl)cc1Cl ZINC000100884439 KK Annotated Mild C=C1[C@@H](OC(=O)CCC2CCCCC2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000100884443 KK Annotated Mild C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000100884447 KK Annotated Mild C/C=C(\C)[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@H](O)[C@H](C)c1ccc(CCC)c(=O)o1 ZINC000100885012 KK Annotated Anodyne C/C=C(\C)[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@H](O)[C@@H](C)c1ccc(CCC)c(=O)o1 ZINC000100885013 KK Annotated Anodyne C/C=C(\C)[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)[C@H](C)c1ccc(CCC)c(=O)o1 ZINC000100885016 KK Annotated Anodyne C/C=C(\C)[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)[C@@H](C)c1ccc(CCC)c(=O)o1 ZINC000100885018 KK Annotated Anodyne CC[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100886855 KK Annotated Mild CC[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100886856 KK Annotated Mild CC[C@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100886859 KK Annotated Mild CC[C@@H]1/C(=N\CCCN(C)C)c2c(nc3ccc(Cl)cc3c2O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100886861 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(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 ZINC000100888979 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(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 ZINC000100888980 KK Annotated Mild in-vitro Cc1cc(SC2=C(O)O[C@](CCc3ccsc3CO)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889051 KK Annotated Mild CC(=O)Nc1nc(CC[C@@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)cs1 ZINC000100889075 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc4[nH]ccc4c3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889078 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc4[nH]ccc4c3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889081 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3nc4ccccc4s3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000100889121 KK Annotated Mild CCN(CC)CCNc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)c2sc3ccccc3c(=O)c12 ZINC000100890883 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000100891891 KK Annotated Mild CN(C)c1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000100892365 KK Annotated Reactive CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c(C3=C[C@]4(C)C[C@@H](C3)c3ccc(O)cc3O4)c(O)c1C2=O ZINC000100897213 KK Annotated Anodyne in-vitro CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c(C3=C[C@]4(C)C[C@@H](C3)c3ccc(O)cc3O4)c(O)c1C2=O ZINC000100897214 KK Annotated Anodyne in-vitro CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5c([C@H]6CC[C@H]7NCCc8c7n6c6ccccc86)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000100899299 KK Annotated Clean in-vitro C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C1O ZINC000100899810 KK Annotated Mild in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@@]1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C(O)C(CC=C(C)C)=C1O ZINC000100899825 KK Annotated Mild in-vitro O=C([C@H]1[C@H](c2ccccc2)[C@H](C(=O)N2C=C([C@H]3CCCCN3)CCC2)[C@H]1c1ccccc1)N1C=C([C@H]2CCCCN2)CCC1 ZINC000100899983 KK Annotated Anodyne in-vitro CC[C@H]1CN2CC[C@@H]1C[C@H]2[C@H](O)c1ccnc2c(NC(=O)c3cc([125I])c(N=[N+]=[N-])cc3O)cccc12 ZINC000100900240 KK Annotated Mild in-vitro CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2c(NC(=O)c3cc([125I])c(N=[N+]=[N-])cc3O)cccc12 ZINC000100900243 KK Annotated Mild in-vitro CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@H]2CC[C@@H](C(C(=O)O)C(=O)O)CC2)cc1 ZINC000100901740 KK Annotated Anodyne CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC[C@@H](C(C(=O)O)C(=O)O)CC2)cc1 ZINC000100901747 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)C)[C@@H]2OC(C)C)C1(C)C ZINC000100902414 KK Annotated Mild N#Cc1ccc(S(=O)(=O)Cc2cccc([C@@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000100904953 KK Annotated Mild N#Cc1ccc(S(=O)(=O)Cc2cccc([C@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000100904955 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@H]2[C@H]1[C@@H](CC(=O)CC(C)C)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000100909024 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@H]21 ZINC000100909032 KK Annotated Mild O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@H](c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100909348 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@@H](c1cccc(CS(=O)(=O)c2ccc(F)cc2)c1)C1CC1 ZINC000100909354 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[S@](=O)[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000100915014 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F ZINC000100926737 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F ZINC000100926738 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@H]4CC[C@@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000100926746 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000100926749 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000100926758 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@H]3[C@@H]4CC[C@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000100926759 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000100929178 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000100929181 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000100929183 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000100929186 KK Annotated Mild Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CC[C@@H](CNc4ccnc(NC[C@@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C ZINC000100929973 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CC[C@@H](CNc4ccnc(NC[C@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C ZINC000100929996 KK Annotated Anodyne C[C@@H]1[C@@H]2C3=CC(NCc4ccccc4)=CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc32)N1CC1CC1 ZINC000100931789 KK Annotated Anodyne Nc1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)cc(-c3ccc(N4CCOCC4)cc3)[s+]2)cc1 ZINC000100933874 KK 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)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000100935083 KK 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)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000100935086 KK 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)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000100935088 KK 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)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000100935091 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000100939641 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000100939644 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000100939976 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000100939982 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000100939988 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000100939992 KK Annotated Mild O=C1CCCN1CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000100942002 KK Annotated Bother Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000100949840 KK Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000100949844 KK Annotated Mild Cc1c[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(=O)c7ccccc7)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000100958429 KK Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(=O)c7ccccc7)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000100958432 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@@](CCCCC(=O)N2CCOCC2)(c2ccccc2)CC1=O ZINC000100967072 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCCC(=O)N2CCOCC2)(c2ccccc2)CC1=O ZINC000100967078 KK Annotated Mild COc1cc(NC(=O)N[C@H](C)CN2[C@@H]3CC[C@@H]2CC(Cc2ccc(Cl)cc2)C3)cc(OC)c1OC ZINC000100970090 KK Annotated Anodyne COc1cc(NC(=O)N[C@H](C)CN2[C@H]3CC[C@H]2CC(Cc2ccc(Cl)cc2)C3)cc(OC)c1OC ZINC000100970096 KK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCCC(=O)N2CCSCC2)(c2ccccc2)CC1=O ZINC000100970636 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCCC(=O)N2CCSCC2)(c2ccccc2)CC1=O ZINC000100970637 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(=O)N2CCSCC2)(c2ccccc2)CC1=O ZINC000100971842 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(=O)N2CCSCC2)(c2ccccc2)CC1=O ZINC000100971844 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000100985181 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000100985360 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000100985364 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000100985930 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O ZINC000100986600 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O ZINC000100986602 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000100987440 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000100987441 KK Annotated Mild CO[C@H]1O[C@@]2(C)OO[C@]13[C@H](CCOP(=O)(Oc1ccccc1)Oc1ccccc1)CCC[C@@H]3C[C@@H]2C ZINC000100990501 KK Annotated Reactive COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccccc4F)nc2-3)cc1OC1CCCC1 ZINC000101000920 KK Annotated Anodyne CN(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 ZINC000101000926 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)CC(=O)C([C@@H](c1ccccc1)[C@H]1COc3cc(O)c(CCCCCC)c(O)c3C1)=C2O ZINC000101001478 KK Annotated Mild CCCCCCc1cc2c(cc1O)CC(=O)C([C@H](c1ccccc1)[C@H]1COc3cc(O)c(CCCCCC)c(O)c3C1)=C2O ZINC000101001480 KK Annotated Mild CCCCCCc1cc2c(cc1O)CC(=O)C([C@@H](c1ccccc1)[C@@H]1COc3cc(O)c(CCCCCC)c(O)c3C1)=C2O ZINC000101001483 KK Annotated Mild CCCCCCc1cc2c(cc1O)CC(=O)C([C@H](c1ccccc1)[C@@H]1COc3cc(O)c(CCCCCC)c(O)c3C1)=C2O ZINC000101001486 KK Annotated Mild COc1ccc(OCC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c-3n2)cc1OC ZINC000101002270 KK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101002818 KK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000101002822 KK Annotated Anodyne COc1cc(OC)cc(OCC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c-3n2)c1 ZINC000101003027 KK Annotated Anodyne COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(Cl)cc4)nc2-3)cc1OC1CCCC1 ZINC000101003630 KK Annotated Anodyne COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4cccc(-c5ccsc5)c4)nc2-3)cc1OC1CCCC1 ZINC000101004578 KK Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/CN3CCN(c4ccccc4)CC3)ccc1C2)c1ccc(Cl)s1 ZINC000101007350 KK Annotated Anodyne O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCN(c4ccccc4)CC3)ccc1C2)c1ccc(Cl)s1 ZINC000101007354 KK Annotated Anodyne CC1=C(Br)C=C(C#N)C(=O)[C@@H]1Cn1cncc1COCc1ccc(C#N)cc1-c1ccc2c(c1)OCO2 ZINC000101007693 KK Annotated Reactive O=C1Nc2[nH]c(=S)n(-c3ccccc3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101007709 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3ccccc3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101007712 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101009548 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101009551 KK Annotated Clean Cc1ccc(-n2c(=S)[nH]c3c(c2=O)[C@@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000101010613 KK Annotated Clean Cc1ccc(-n2c(=S)[nH]c3c(c2=O)[C@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000101010616 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3cccc(Cl)c3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101012175 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3cccc(Cl)c3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101012181 KK Annotated Clean CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)CC1 ZINC000101012343 KK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)CC1 ZINC000101013396 KK Annotated Anodyne Cc1cccc(-n2c(=S)[nH]c3c(c2=O)[C@@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)c1 ZINC000101013551 KK Annotated Clean Cc1cccc(-n2c(=S)[nH]c3c(c2=O)[C@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)c1 ZINC000101013552 KK Annotated Clean COc1ccc(-n2c(=S)[nH]c3c(c2=O)[C@@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000101014179 KK Annotated Clean COc1ccc(-n2c(=S)[nH]c3c(c2=O)[C@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000101014186 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3cccc([N+](=O)[O-])c3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101014577 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3cccc([N+](=O)[O-])c3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101014581 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3cccc(O)c3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101016895 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3cccc(O)c3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101016897 KK Annotated Clean CC[C@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000101017905 KK Annotated Mild CC[C@]1(c2ccccc2)CC(=O)C([C@H]2C[C@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000101017908 KK Annotated Mild CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CC[C@H]2CCCO2)CC1 ZINC000101019568 KK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CC[C@@H]2CCCO2)CC1 ZINC000101019571 KK Annotated Anodyne C[C@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000101020587 KK Annotated Mild C[C@]1(c2ccccc2)CC(=O)C([C@H]2C[C@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000101020592 KK Annotated Mild CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3Cc2ccoc2)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000101022418 KK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000101022428 KK Annotated Anodyne N#C[C@@]1(c2ccc(CC3C(=O)N(c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)cc2)C=CC=CC1 ZINC000101027898 KK Annotated Mild CCN(CC)C(=S)/N=N/c1c(O)n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000101030711 KK Annotated Clean Cc1cc2cc(NC(=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)/C(C#N)=C(\O)c3ccc(Cl)cc3)ccc2o1 ZINC000101032338 KK Annotated Reactive COc1cc(/C=C2\OC(O)=C(c3cc(Cl)cc(Cl)c3)C2=O)ccc1-c1ccccc1C(F)(F)F ZINC000101034005 KK Annotated Mild CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@H]23)=C1O ZINC000101034888 KK Annotated Anodyne CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]32)=C1O ZINC000101034890 KK Annotated Anodyne CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@@H]2c3ccccc3[C@H]3NC(=O)O[C@@H]23)=C1O ZINC000101034892 KK Annotated Anodyne CC(C)(C)CC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@]1(Cc2ccccc2)N=CC([C@H]2c3ccccc3[C@H]3NC(=O)O[C@H]32)=C1O ZINC000101034894 KK Annotated Anodyne O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000101035921 KK Annotated Anodyne O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000101035923 KK Annotated Anodyne C[C@H](O[C@@H]1CC[C@H]2N[C@@]1(c1ccccc1)C[C@H]2c1nnn(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101036904 KK Annotated Anodyne C[C@H](O[C@H]1CC[C@H]2N[C@@]1(c1ccccc1)C[C@H]2c1nnn(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101036905 KK Annotated Anodyne O=S(=O)(NC[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000101037981 KK Annotated Anodyne O=S(=O)(NC[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000101037984 KK Annotated Anodyne O=C1N([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)CC[C@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101038258 KK Annotated Anodyne O=C1N([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)CC[C@@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101038259 KK Annotated Anodyne C[C@H](O[C@@H]1CC[C@H]2N[C@@]1(c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101041218 KK Annotated Anodyne C[C@H](O[C@H]1CC[C@H]2N[C@@]1(c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101041220 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000101042159 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(OCC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101042761 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000101042815 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000101043132 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(O)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101045739 KK Annotated Reactive Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(CC(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101048811 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(CC(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101048815 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(CC(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101048820 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(CC(C)C)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101048824 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(O)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000101051567 KK Annotated Reactive Clc1ccc2c(c1)N=C1CCCN1[C@@H]2NCCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 ZINC000101053618 KK Annotated Anodyne Clc1ccc2c(c1)N=C1CCCN1[C@H]2NCCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 ZINC000101053620 KK Annotated Anodyne CCC(CC)[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101055239 KK Annotated Anodyne CCC(CC)[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101055245 KK Annotated Anodyne CCC(CC)[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101055248 KK Annotated Anodyne CCC(CC)[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000101055251 KK Annotated Anodyne O=C1C(=C(O)Cc2ccc(Cl)c(Cl)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101060743 KK Annotated Clean O=C1C(=C(O)Cc2ccc(Cl)cc2Cl)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101065989 KK Annotated Clean O=C1C(=C(O)c2ccc(-c3ccccc3)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000101066358 KK Annotated Clean C[C@H](C(O)=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 ZINC000101066524 KK Annotated Clean C[C@@H](C(O)=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 ZINC000101066530 KK Annotated Clean C[C@H](C(O)=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1cccc2ccccc12 ZINC000101066815 KK Annotated Clean C[C@@H](C(O)=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1cccc2ccccc12 ZINC000101066821 KK Annotated Clean O=C(CCCCCCCCCCOc1ccc(-c2ccccc2)cc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O ZINC000101068107 KK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000101073682 KK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000101073685 KK Annotated Anodyne CO[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000101073687 KK Annotated Anodyne CO[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000101073691 KK Annotated Anodyne O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000101073701 KK Annotated Anodyne O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000101073705 KK Annotated Anodyne C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@H](N2CCN(c3ccccc3)C(=O)C2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101073722 KK Annotated Anodyne C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@H](N2CCN(c3ccccc3)C(=O)C2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101073727 KK Annotated Anodyne Cn1nnc([C@]2(F)C[C@@]3(c4ccccc4)N[C@H]2CC[C@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000101075272 KK Annotated Mild Cn1nnc([C@@]2(F)C[C@@]3(c4ccccc4)N[C@H]2CC[C@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000101075274 KK Annotated Mild O=S(=O)(c1ccccc1)[C@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101075290 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000101075293 KK Annotated Anodyne O=C(CCCC[C@@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000101082851 KK Annotated Reactive O=C(CCCC[C@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000101082855 KK Annotated Reactive OCC12[C@H](c3ccccc3)C3[C@@H]4N(Cc5ccccc5)[C@H]1C1[C@@H]2N(Cc2ccccc2)[C@@H]3C4(CO)[C@H]1c1ccccc1 ZINC000101085578 KK Annotated Anodyne OC[C@@]12[C@@H]3C4[C@@H]1N(Cc1ccccc1)[C@@H]1C([C@H](N3Cc3ccccc3)[C@@]1(CO)[C@@H]4c1ccccc1)[C@@H]2c1ccccc1 ZINC000101085581 KK Annotated Anodyne OC[C@]12[C@@H]3C4[C@@H]1N(Cc1ccccc1)[C@@H]1C([C@H](N3Cc3ccccc3)[C@]1(CO)[C@@H]4c1ccccc1)[C@@H]2c1ccccc1 ZINC000101085584 KK Annotated Anodyne OCC12[C@@H]3C4[C@@H]1N(Cc1ccccc1)[C@@H]1C([C@@H]2c2ccccc2)[C@@H](N3Cc2ccccc2)C1(CO)[C@@H]4c1ccccc1 ZINC000101085587 KK Annotated Anodyne O=C(Oc1ccccc1)N1[C@H]2C3[C@H]4N(C(=O)Oc5ccccc5)[C@@H]5C([C@@H](c6ccccc6)[C@]24CO)[C@@H]1[C@@]5(CO)[C@H]3c1ccccc1 ZINC000101085588 KK Annotated Anodyne O=C(Oc1ccccc1)N1[C@H]2C3[C@@H]4N(C(=O)Oc5ccccc5)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000101085589 KK Annotated Anodyne O=C(Oc1ccccc1)N1[C@H]2C3[C@@H](c4ccccc4)[C@]4(CO)[C@@H]5C([C@@H]14)[C@H](c1ccccc1)[C@]2(CO)[C@@H]3N5C(=O)Oc1ccccc1 ZINC000101085590 KK Annotated Anodyne O=C(Oc1ccccc1)N1[C@H]2C3[C@@H]4N(C(=O)Oc5ccccc5)[C@@H]5C([C@@H](c6ccccc6)[C@@]24CO)[C@H]1[C@]5(CO)[C@H]3c1ccccc1 ZINC000101085592 KK Annotated Anodyne CC(C)N(CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@]2(c3cccc(C#N)c3)C[C@H]2C1)C(C)C ZINC000101086375 KK Annotated Mild CC(=O)Oc1cc2c(cc1Cl)C(c1cc(C(=O)O)ccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2 ZINC000101098446 KK Annotated Anodyne COc1cc(OC)c(CC[C@@]2(C3CCCC3)CC(O)=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000101101797 KK Annotated Anodyne COc1cc(OC)c(CC[C@]2(C3CCCC3)CC(O)=C(Sc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1Cl ZINC000101101800 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1 ZINC000101104946 KK Annotated Anodyne CC1(C)[C@@H](NC(=O)C2=NS(=O)(=O)N(Cc3ccccc3)C(c3ccc(Cl)cc3)=C2)[C@]2(C)CC[C@@H]1C2 ZINC000101104949 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1NC(=O)C1=NS(=O)(=O)N(Cc2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)=C1 ZINC000101104953 KK Annotated Anodyne CC1(C)[C@@H](NC(=O)C2=NS(=O)(=O)N(Cc3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)=C2)[C@]2(C)CC[C@@H]1C2 ZINC000101104956 KK Annotated Anodyne CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2ccccc2C)=CC1=O)Cc1ccccc1C ZINC000101110559 KK Annotated Mild CCCn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccccc45)cc3)cc2)c(N)nc1=N ZINC000101113860 KK Annotated Anodyne CCn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccccc45)cc3)cc2)c(N)nc1=N ZINC000101113868 KK Annotated Anodyne CCCn1cc(-c2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3N)cc2)c(N)nc1=N ZINC000101113909 KK Annotated Anodyne C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000101122059 KK Annotated Mild CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000101125697 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000101125702 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C/C/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000101127235 KK Annotated Anodyne in-vivo CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C/C/C=C\CCCCN5CC[C@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000101127240 KK Annotated Anodyne in-vivo Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000101127416 KK Annotated Anodyne in-vivo C=C1[C@H]2C[C@H]3[C@@H]4N(Cc5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@@]3(CC(=O)[C@H]56)[C@@H]1OCc1ccccc1 ZINC000101129297 KK Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N(Cc5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@]3(CC(=O)[C@H]56)[C@@H]1OCc1ccccc1 ZINC000101129300 KK Annotated Mild C=C1[C@H]2C[C@H]3[C@H]4N(Cc5ccccc5)C[C@]5(C)CCC[C@]46[C@H]([C@H]2O)[C@@]3(CC(=O)[C@H]56)[C@@H]1OCc1ccccc1 ZINC000101129306 KK Annotated Mild CC(=O)N1[C@H]2C=C(CN3[C@@H]4CC[C@@H]3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)C[C@H]1CCC2 ZINC000101130458 KK Annotated Anodyne CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1[C@@H]3CC[C@@H]1CC(NC(=O)Nc1cc(F)cc(C(F)(F)F)c1)C3)C2 ZINC000101130462 KK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@@H]4CC[C@@H]3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)C[C@H]1CCC2 ZINC000101130467 KK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@@H]4CC[C@@H]3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)C[C@@H]1CCC2 ZINC000101130469 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000101130931 KK Annotated Mild CO/N=C/c1cccc([C@]23CC[C@@H](N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)C[C@@H]2C3)c1 ZINC000101136436 KK Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000101137464 KK Annotated Reactive Cc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)cc1 ZINC000101138838 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000101141161 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc(Br)cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000101141164 KK Annotated Anodyne Cc1cccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nnc2C(C)C)C3)c2ccccc2)c1 ZINC000101141206 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000101143958 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@@H]2CC[C@@]12[C@@H](c1ccc(Cl)cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000101143965 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C\C/C=C(/C=C(c6nccc7c6[nH]c6ccccc67)[C@H]3CC5)[C@@H]4N2CCCC1 ZINC000101144450 KK Annotated Anodyne in-vivo CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000101144458 KK Annotated Anodyne in-vivo CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1cc2c(cc1F)c(=O)c(C(=O)O)c1sc3ccccc3n12 ZINC000101145163 KK Annotated Bother CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1cc2c(cc1F)c(=O)c(C(=O)O)c1sc3ccccc3n12 ZINC000101145168 KK Annotated Bother O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2n2c1sc1ccccc12 ZINC000101146260 KK Annotated Bother O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2n2c1sc1ccccc12 ZINC000101146263 KK Annotated Bother CC(C)(C)NC(=O)[C@@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)c1sc3ccccc3n12 ZINC000101148339 KK Annotated Bother CC(C)(C)NC(=O)[C@H]1c2ccccc2CCN1c1cc2c(cc1[N+](=O)[O-])c(=O)c(C(=O)O)c1sc3ccccc3n12 ZINC000101148340 KK Annotated Bother CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2cccs2)=CC1=O)Cc1cccs1 ZINC000101149227 KK Annotated Mild CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)Cc2ccco2)=CC1=O)Cc1ccco1 ZINC000101149233 KK Annotated Mild O=C(O)c1c(=O)c2cc([N+](=O)[O-])c(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2n2c1sc1ccccc12 ZINC000101150094 KK Annotated Bother Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@@H]([C@@H]5C=C[C@@H]4[C@H]4C(=O)N(c6ccc(C)cc6)C(=O)[C@H]54)[C@H]3C2=O)cc1 ZINC000101150400 KK Annotated Anodyne CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1)=C(O)\C=C\c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000101150662 KK Annotated Mild CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1)=C(O)\C=C\c1ccc(O[C@H]2CCCCO2)c(OC)c1 ZINC000101150665 KK Annotated Mild CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)=C(O)\C=C\c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000101150669 KK Annotated Mild CCOC(=O)CC/C(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)=C(O)\C=C\c1ccc(O[C@H]2CCCCO2)c(OC)c1 ZINC000101150672 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2O[C@H](C)CN(CCC4=CCCCC4)C[C@@H]2O)[C@]13C(=O)O ZINC000101152455 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2O[C@H](C)CN(CCC4=CCCCC4)C[C@@H]2O)[C@]13C(=O)O ZINC000101152459 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@@H]2O[C@H](C)CN(CCC4=CCCCC4)C[C@@H]2O)[C@]13C(=O)O ZINC000101152463 KK Annotated Mild C[N+]1(C)[C@@H]2CC[C@@H]1CC(=CCO[P@@](=O)(O)OCCCCCCCCCCC=C1C3CC4CC(C3)CC1C4)C2 ZINC000101155510 KK Annotated Bother C[N+]1(C)[C@H]2CC[C@H]1CC(=CCO[P@@](=O)(O)OCCCCCCCCCCC=C1C3CC4CC(C3)CC1C4)C2 ZINC000101155514 KK Annotated Bother COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000101155634 KK Annotated Anodyne in-vivo CC(=O)O[C@@H]1C=C2[C@@H]3O[C@H]4O[C@@H]5O[C@@H](O[C@@]24[C@@]2(C)CCCC(C)(C)[C@H]12)C1=C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@]15O3 ZINC000101155991 KK Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000101159194 KK Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000101159198 KK Annotated Anodyne COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 ZINC000101160826 KK Annotated Anodyne Cc1nnc(C(C)C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1cccc(Cl)c1Cl)c1ccccc1 ZINC000101161913 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101164733 KK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101164736 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101164743 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101164746 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C1=O ZINC000101164757 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@]2(CC=C(C)C)C[C@H](CC=C(C)C)C1(C)C ZINC000101164776 KK Annotated Mild in-vivo CCC[C@@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C1(C)C ZINC000101164781 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C1(C)C ZINC000101164787 KK Annotated Mild in-vivo O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(F)cc2)[C@@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000101167238 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(F)cc2)[C@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000101167241 KK Annotated Anodyne O=C(O)CCCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000101169100 KK Annotated Anodyne O=C(O)CCCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000101169107 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c1)C1CC1)CCCCCC2 ZINC000101169190 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c1)C1CC1)CCCCCC2 ZINC000101169192 KK Annotated Anodyne COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)[C@@H]2Oc3c(Cl)c(OC)cc(OC)c3C2=O)cc1 ZINC000101169910 KK Annotated Anodyne COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)[C@@H]2Oc3c(Cl)c(OC)cc(OC)c3C2=O)cc1 ZINC000101169913 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c1)C1CC1)CCCCCC2 ZINC000101170138 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c1)C1CC1)CCCCCC2 ZINC000101170143 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(O)=C(c2c[nH]c3c(CCC(C)(C)OC(=O)C(F)(F)F)cccc23)C(=O)C1=O ZINC000101173178 KK Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c1)C1CC1)CCCCCC2 ZINC000101174258 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c1)C1CC1)CCCCCC2 ZINC000101174261 KK Annotated Anodyne C=CC(C)(C)c1c(C2=C(O)C(O)=C(c3c[nH]c4c(CCC(C)(C)O)cccc34)C(=O)C2=O)c2ccccc2n1C ZINC000101176129 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)OC[C@H]2C)cc1 ZINC000101176398 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)OC[C@H]2C)cc1 ZINC000101176401 KK Annotated Mild Cc1nc(C(C)C)n(C2C[C@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101176991 KK Annotated Anodyne Cc1nc(C(C)C)n([C@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101176995 KK Annotated Anodyne Cc1nc(C(C)C)n([C@@H]2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101177000 KK Annotated Anodyne Cc1nc(C(C)C)n(C2C[C@@H]3CC[C@@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000101177001 KK Annotated Anodyne N#Cc1cccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)c1 ZINC000101178178 KK Annotated Mild N#Cc1cccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)oc4c(c3=O)CCCCCC4)C3CC3)c2)c1 ZINC000101178181 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(O)=C(c2c[nH]c3c(C[C@H](O)C(C)(C)O)cccc23)C(=O)C1=O ZINC000101178527 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(O)=C(c2c[nH]c3c(C[C@@H](O)C(C)(C)O)cccc23)C(=O)C1=O ZINC000101178528 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(C)cc2)[C@@]3(C)C1(C)C ZINC000101179733 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(C)cc2)[C@@]3(C)C1(C)C ZINC000101179734 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(c4ccc(Cl)s4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101180173 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(c4ccc(Cl)s4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101180184 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN(c4ccc(Cl)s4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101180189 KK Annotated Mild CCCCCCO[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000101180453 KK Annotated Mild O=C(O)c1ccc(CCN2[C@H]3CC[C@@H]2C[C@H](Nc2ccc(Oc4ccc(-c5ncco5)cc4)cc2)C3)cc1 ZINC000101180559 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c1)C1CC1)CCCCCC2 ZINC000101180909 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c1)C1CC1)CCCCCC2 ZINC000101180912 KK Annotated Anodyne C=C(Cl)CN1C[C@H](OC[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)OCC12CCCC2 ZINC000101183662 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OCC12CCCC2 ZINC000101183668 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OCC12CCCC2 ZINC000101183671 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101184978 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101184980 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101185705 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101185709 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101186467 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101186470 KK Annotated Mild CCCC[C@H]1C(=O)N(C[C@@H]2CC[C@@H](OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000101188355 KK Annotated Anodyne CCCC[C@@H]1C(=O)N(C[C@@H]2CC[C@@H](OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000101188358 KK Annotated Anodyne CCCC[C@H]1C(=O)N(C[C@@H]2CC[C@@H](OCC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000101188364 KK Annotated Anodyne CCCC[C@@H]1C(=O)N(C[C@@H]2CC[C@@H](OCC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000101188368 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101188407 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101188413 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(Cc4ccccc4Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000101189233 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(Cc4ccccc4Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000101189240 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN(Cc4ccccc4Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000101189244 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC=C(Cl)Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000101189311 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC=C(Cl)Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000101189320 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN(CC=C(Cl)Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000101189323 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101190142 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101190147 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101190151 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101190156 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(F)cc2)[C@@]3(C)C1(C)C ZINC000101190722 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(F)cc2)[C@@]3(C)C1(C)C ZINC000101190725 KK Annotated Mild Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@H]3CC[C@@H](C(=O)O)CC3)cc2o1 ZINC000101191445 KK Annotated Anodyne Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3CO[C@@H]3CC[C@@H](C(=O)O)CC3)cc2o1 ZINC000101191446 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101192323 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101192327 KK Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101192414 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101192416 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101192418 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101192420 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101192482 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000101192486 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OCc4ccccc4)cc2)[C@@]3(C)C1(C)C ZINC000101193228 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OCc4ccccc4)cc2)[C@@]3(C)C1(C)C ZINC000101193232 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN([C@H]4C=CCCC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000101193333 KK Annotated Mild CCOC(=O)N[C@@H](c1cccc(F)c1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193454 KK Annotated Anodyne CCOC(=O)N[C@@H](c1cccc(F)c1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101193456 KK Annotated Anodyne CO/C(=N/C#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@H](n2c(C)nc4ccccc42)C3)(c2ccccc2)CC1 ZINC000101193539 KK Annotated Mild Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCC1(c2ccccc2)CCN(/C(=N\C#N)OC(C)C)CC1 ZINC000101193543 KK Annotated Mild CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H]6C[C@@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1 ZINC000101195015 KK Annotated Mild CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H]6C[C@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1 ZINC000101195025 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000101196089 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccc(F)c2)[C@@]3(C)C1(C)C ZINC000101197992 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccc(F)c2)[C@@]3(C)C1(C)C ZINC000101197998 KK Annotated Mild Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000101198799 KK Annotated Mild in-vivo Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000101198805 KK Annotated Mild in-vivo Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@@H](CCc2ccccc2)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000101199906 KK Annotated Mild Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@H](CCc2ccccc2)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000101199910 KK Annotated Mild CO/C1=C\C(C)=C\[C@H](C)C(=O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000101211337 KK Annotated Mild CO/C1=C\C(C)=C\[C@H](C)C(=O)[C@@H](C)C/C(C)=C/C=C/[C@@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000101211339 KK Annotated Mild CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000101211341 KK Annotated Mild CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C/C=C/[C@@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000101211345 KK Annotated Mild CO[C@H]1CN(Cc2ccccc2)C[C@H](OC[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)O[C@@H]1C ZINC000101212184 KK Annotated Mild CO[C@H]1CN(CC=C(Cl)Cl)C[C@H](OC[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)O[C@@H]1C ZINC000101212966 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000101213105 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000101213106 KK Annotated Mild COc1ccc(CN2C[C@H](OC)[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@]45C(=O)O)C2)cc1 ZINC000101216594 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000101217237 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000101217242 KK Annotated Mild CC[C@@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@]45C(=O)O)C[C@H]12 ZINC000101218981 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OCC4(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101219359 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@H]4[C@H](OCC4(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101219361 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OCC4(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101219366 KK Annotated Mild CO[C@H]1CN(Cc2ccc(SC)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000101219604 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4[C@H](C(C)C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101221743 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4[C@H](C(C)C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101221745 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@@H]4[C@H](C(C)C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000101221747 KK Annotated Mild CO[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000101224684 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000101225753 KK Annotated Bother CO/N=C1/[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCSc1ncccn1 ZINC000101226035 KK Annotated Mild COc1ccc(CCN2[C@@H]3CC[C@@H]2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000101237372 KK Annotated Bother O=P(OCCN[P@@]1(=O)OCCCN1CCCl)(OCc1ccccc1)OCc1ccccc1 ZINC000101242108 KK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@](=O)c2ccccc2)=N1 ZINC000101251045 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@](=O)c2ccccc2)=N1 ZINC000101251050 KK Annotated Reactive CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000101253542 KK Annotated Mild O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000101255493 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000101255802 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@H](c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000101258654 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c2ccccc2)c1)C1CC1 ZINC000101258656 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)C1CC1 ZINC000101258709 KK Annotated Anodyne O=c1cc(C(CC2CC2)CC2CC2)oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)C1CC1 ZINC000101258711 KK Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4C(=O)c5ccccc5C(=O)[C@H]34)cc2)cc1OC ZINC000101261931 KK Annotated Clean CCCC[C@@]1(OCSC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000101277475 KK Annotated Anodyne CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)c(C(F)(F)F)c2)Cc2nc3ccc(Cl)cc3c(O)c21 ZINC000101277622 KK Annotated Mild C=C1[C@@H](OCOCc2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101278221 KK Annotated Mild CCN(CC)CCNc1ccc(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2sc3ccccc3c(=O)c12 ZINC000101278249 KK Annotated Bother Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCCN7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)N8[C@@H]64)C7)c-3nc12 ZINC000101279629 KK Annotated Anodyne CCCC[C@@]1(OCSC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)OC ZINC000101284049 KK Annotated Anodyne COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 ZINC000101284904 KK Annotated Reactive COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)cc1 ZINC000101284907 KK Annotated Reactive COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 ZINC000101284909 KK Annotated Reactive Brc1ccc(C2(c3ccc(Br)cc3)C[C@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 ZINC000101285383 KK Annotated Anodyne Brc1ccc(C2(c3ccc(Br)cc3)C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000101285387 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CS[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000101286578 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CS[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000101286585 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000101287005 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000101287020 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccc5c(c4)OCO5)C2)[C@@]13C(=O)O ZINC000101288009 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccc5c(c4)OCO5)C2)[C@@]13C(=O)O ZINC000101288020 KK Annotated Mild Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000101289684 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000101289690 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C\CC[C@@]6(C=C(c7[nH]ccc8c9ccccc9nc7-8)[C@@H]3CC5)O[C@H](CCC1)N2[C@@H]64 ZINC000101296940 KK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc21 ZINC000101302250 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 ZINC000101316994 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 ZINC000101316997 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 ZINC000101317008 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 ZINC000101317010 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000101320077 KK Annotated Mild in-vitro biogenic C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)C[S@@](=O)[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000101322991 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000101332574 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C1)CC2 ZINC000101332579 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OC(C)C)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000101332584 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OC3CC3)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000101332589 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000101335243 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000101335247 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000101335250 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000101335253 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(C#N)cc1 ZINC000101342205 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(C#N)cc1 ZINC000101342210 KK Annotated Mild NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCCc1cccc(c1)O3 ZINC000101344258 KK Annotated Anodyne NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N([C@@H]1CC[C@H](C(=O)O)CC1)CCc1cccc(c1)O3 ZINC000101344268 KK Annotated Anodyne NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N([C@@H]1CC[C@@H](C(=O)O)CC1)CCc1cccc(c1)O3 ZINC000101344273 KK Annotated Anodyne COc1cc2c3cc1Oc1cccc(c1)CCN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N(C3)C(N)=N2 ZINC000101344277 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101344725 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101344726 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101344729 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101344733 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O ZINC000101346432 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O ZINC000101346435 KK Annotated Mild Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@@H]4CC[C@@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000101347115 KK 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)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000101354139 KK 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)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000101354140 KK 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)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000101354141 KK 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)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000101354143 KK Annotated Mild CCCCCCCCCCCCCCCCC(=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 ZINC000101354865 KK Annotated Mild CCCCCCCCCCCCCCCCC(=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 ZINC000101354866 KK Annotated Mild CCCCCCCCCCCCCCCCC(=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 ZINC000101354869 KK Annotated Mild CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000101355229 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000101355233 KK Annotated Anodyne COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(C(C)(C)C)cc4)nc2-3)cc1OC1CCCC1 ZINC000101355781 KK Annotated Anodyne O=C(O)c1ccc(-n2c(=S)[nH]c3c(c2=O)[C@@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000101355867 KK Annotated Clean O=C(O)c1ccc(-n2c(=S)[nH]c3c(c2=O)[C@H](c2ccccc2Cl)N(/N=N/c2ccc(Cl)cc2)C(=O)N3)cc1 ZINC000101355869 KK Annotated Clean CCN(CC)c1ccc2c(C#N)c3ccc(N(CC)CCCCCC(=O)N4CCN(CCN5C(=O)C=CC5=O)CC4)cc3[o+]c2c1 ZINC000101356445 KK Annotated Mild COc1ccccc1OCC(C)(C)c1nc2c(N)ncn(Cc3ccc(OC)c(OC4CCCC4)c3)c-2n1 ZINC000101356691 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101357096 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101357101 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101357106 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000101357112 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000101358443 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000101358446 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000101358449 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000101358453 KK Annotated Mild COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4cccc(F)c4)nc2-3)cc1OC1CCCC1 ZINC000101360328 KK Annotated Anodyne CC(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000101361311 KK Annotated Anodyne CC(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000101361313 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000101361343 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000101361346 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000101361349 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000101361352 KK Annotated Mild COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(C)cc4)nc2-3)cc1OC1CCCC1 ZINC000101362014 KK Annotated Anodyne C[C@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000101363008 KK Annotated Mild C[C@]1(c2ccccc2)CC(=O)C([C@H]2C[C@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000101363015 KK Annotated Mild COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(C(F)(F)F)cc4)nc2-3)cc1OC1CCCC1 ZINC000101370859 KK Annotated Anodyne CSc1nc(/C=C(\C)[C@@H]2C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000101388117 KK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](COC(N)=O)(c3ccccc3)CC2)cc1)C(F)(F)F ZINC000101390093 KK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCC(N)=O)(c3ccccc3F)CC2)cc1)C(F)(F)F ZINC000101390104 KK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCC(N)=O)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F ZINC000101390105 KK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](COC(N)=O)(c3ccccc3F)CC2)cc1)C(F)(F)F ZINC000101390112 KK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](COC(N)=O)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F ZINC000101390116 KK Annotated Anodyne COc1ccc(OCC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c-3n2)cc1 ZINC000101390945 KK Annotated Anodyne CC(=O)N(CCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394329 KK Annotated Anodyne CC(=O)N(CCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394330 KK Annotated Anodyne C=C(C)C(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394437 KK Annotated Mild C=C(C)C(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394440 KK Annotated Mild C=C(C)C(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394443 KK Annotated Mild C=C(C)C(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394446 KK Annotated Mild CC(C)(C)C(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394448 KK Annotated Anodyne CC(C)(C)C(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394451 KK Annotated Anodyne CC(C)(C)C(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394453 KK Annotated Anodyne CC(C)(C)C(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394455 KK Annotated Anodyne CCCCC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394458 KK Annotated Anodyne CCCCC(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394462 KK Annotated Anodyne CCCCC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394466 KK Annotated Anodyne CCCCC(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394471 KK Annotated Anodyne CC(C)CC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394474 KK Annotated Anodyne CC(C)CC(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000101394480 KK Annotated Anodyne CC(C)CC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394484 KK Annotated Anodyne CC(C)CC(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000101394488 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@@](CC=C(C)C)(C2=O)C1(C)C ZINC000101395957 KK Annotated Mild CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(OCC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000101398075 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(CC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101400835 KK Annotated Reactive Cc1noc(C)c1S(=O)(=O)N(CCCC(F)(F)F)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000101403182 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(OC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101404397 KK Annotated Reactive COc1ccc(-c2c(C(F)(F)F)nn3c(=O)cc(-c4cc(F)c(Cl)nc4Cl)[nH]c23)cc1OC ZINC000101404868 KK Annotated Anodyne O=C1c2ccccc2[C@@](OC[C@@H]2CC[C@@H](CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000101405089 KK Annotated Bother O=C1c2ccccc2[C@](OC[C@@H]2CC[C@@H](CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000101405094 KK Annotated Bother O=C1c2ccccc2[C@@](O[C@@H]2CCC[C@@H](O)CCC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000101405098 KK Annotated Bother O=C1c2ccccc2[C@](O[C@@H]2CCC[C@@H](O)CCC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000101405103 KK Annotated Bother CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101405315 KK Annotated Reactive O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000101406164 KK Annotated Reactive O=C(CCCC[C@H]1CCSS1)Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O ZINC000101406166 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(C)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101408133 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(C(=O)O)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000101408149 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(CC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000101408192 KK Annotated Reactive O=C(Nc1ccc(C2CCN(C(=O)[C@@H]3CC[C@@H](C(=O)O)CC3)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC000101410731 KK Annotated Anodyne O=C1C=C(NCCCCCCNCc2cc3ccccc3o2)C(=O)C=C1NCCCCCCNCc1cc2ccccc2o1 ZINC000101412762 KK Annotated Mild O=C1C=C(NCCCCCCNCc2nc3ccccc3s2)C(=O)C=C1NCCCCCCNCc1nc2ccccc2s1 ZINC000101412771 KK Annotated Mild O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101413256 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101413261 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000101413264 KK Annotated Anodyne CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@H]4CC[C@@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC4)cc3)oc12 ZINC000101413284 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CC[C@@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC4)cc3)oc12 ZINC000101413286 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@H]4CC[C@@H](c5cccc(C(F)(F)F)c5)CC4)cc3)oc12 ZINC000101413292 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CC[C@@H](c5cccc(C(F)(F)F)c5)CC4)cc3)oc12 ZINC000101413295 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@H]4CC[C@@H](c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000101413296 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CC[C@@H](c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000101413297 KK Annotated Mild Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(C4CCCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101416036 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(C4CCCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101416039 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(C4CCCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101416043 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(C4CCCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101416046 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101419146 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101419147 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)NC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000101419153 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1Cl ZINC000101421017 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1Cl ZINC000101421021 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1Cl ZINC000101421025 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1Cl ZINC000101421029 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@@H](C(=O)O)[C@H]21 ZINC000101421057 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@H]1C[C@@H]2C[C@@H]1[C@H]1[C@@H](C(=O)O)[C@H]21 ZINC000101421061 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H](C(=O)O)[C@H]21 ZINC000101421065 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H](C(=O)O)[C@H]21 ZINC000101421069 KK Annotated Anodyne CCN1C[C@]2(C)[C@H](CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]32)N=C1C(C)C ZINC000101422216 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c(O)c2ccccc21 ZINC000101424889 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c(O)c2ccccc21 ZINC000101424892 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2cccc(Br)c2)c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101425595 KK Annotated Anodyne Cn1c(=O)c([C@H](c2cccc(Br)c2)c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101425599 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2cccc(Br)c2)c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c(O)c2ccccc21 ZINC000101425603 KK Annotated Anodyne Cn1c(=O)c([C@H](c2cccc(Br)c2)c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c(O)c2ccccc21 ZINC000101425606 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000101426622 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000101426624 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000101428435 KK Annotated Mild Cn1c(=O)c([C@@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101428830 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101428834 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101428837 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101428840 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c(O)c2ccccc21 ZINC000101428842 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(C(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c(O)c2ccccc21 ZINC000101428846 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c(O)c2ccccc21 ZINC000101430886 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)C2CCCCC2)c(O)c2ccccc21 ZINC000101430888 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c(O)c2ccccc21 ZINC000101442141 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCOC(=O)Cc2ccccc2)c(O)c2ccccc21 ZINC000101442147 KK Annotated Anodyne CC(C)CCC[C@]1(C)[C@@H](CCC(C)C)C[C@@]2(CCC(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CCC(C)C)=C2O ZINC000101443551 KK Annotated Mild CC(=O)OCCc1c([C@@H](c2cccc(Br)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12 ZINC000101444631 KK Annotated Anodyne CC(=O)OCCc1c([C@H](c2cccc(Br)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12 ZINC000101444634 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)Nc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000101444638 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000101445290 KK Annotated Anodyne C=C(C)CC[C@@H](C[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@](C(=O)c3ccc(O)c(O)c3)(C2=O)C1(C)C)C(=C)C ZINC000101450149 KK Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]69)C/C7=C/C ZINC000101452481 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(N[C@@H]2C[C@@H]3CC[C@@H]2C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000101453526 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(N[C@H]2C[C@@H]3CC[C@@H]2C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000101453528 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000101456635 KK Annotated Mild in-man C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000101456643 KK Annotated Mild in-man C[C@H](c1c[nH]c(N)n1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc45)c(O)n3)c12 ZINC000101460090 KK Annotated Anodyne C[C@@H](c1c[nH]c(N)n1)c1ccc(O)c2[nH]cc(-c3cnc(-c4c[nH]c5cc(Br)ccc45)c(O)n3)c12 ZINC000101460093 KK Annotated Anodyne CCOC(=O)N[C@@H](c1cccs1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101460381 KK Annotated Anodyne CCOC(=O)N[C@@H](c1cccs1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101460385 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101468916 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000101468919 KK Annotated Anodyne O=C(Oc1cccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)c1)c1ccc([N+](=O)[O-])cc1 ZINC000101469621 KK Annotated Mild CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101474174 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000101474175 KK Annotated Anodyne O=C1/C(=N\c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)C(n2nnc3ccccc32)=C(O)c2ccccc21 ZINC000101474789 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000101478684 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000101478688 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000101478689 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000101478690 KK Annotated Mild O=C1Nc2[nH]c(=S)n(-c3ccc(O)cc3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101479585 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3ccc(O)cc3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101479587 KK Annotated Clean O=C(C[C@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000101486547 KK Annotated Mild O=C(C[C@@H]1S/C(=N\c2ccc(OC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000101486551 KK Annotated Mild O=C1Nc2[nH]c(=S)n(-c3ccc(Cl)cc3)c(=O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101486713 KK Annotated Clean O=C1Nc2[nH]c(=S)n(-c3ccc(Cl)cc3)c(=O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000101486716 KK Annotated Clean C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(O)=C(c2c[nH]c3c(CCC(C)(C)O)cccc23)C(=O)C1=O ZINC000101487059 KK Annotated Mild CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5c(F)cc(OC(C)C)cc5n3)C4)C[C@@H]1CCC2 ZINC000101488092 KK Annotated Anodyne CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1[C@H]3CC[C@@H]1C[C@@H](Nc1ccc4c(F)cc(OC(C)C)cc4n1)C3)C2 ZINC000101488093 KK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5c(F)cc(OC(C)C)cc5n3)C4)C[C@H]1CCC2 ZINC000101488094 KK Annotated Anodyne CC(=O)N1[C@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5c(F)cc(OC(C)C)cc5n3)C4)C[C@H]1CCC2 ZINC000101488095 KK Annotated Anodyne CC(=O)N1[C@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5cc(OC(F)(F)F)ccc5n3)C4)C[C@H]1CCC2 ZINC000101488109 KK Annotated Anodyne CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1[C@H]3CC[C@@H]1C[C@@H](Nc1ccc4cc(OC(F)(F)F)ccc4n1)C3)C2 ZINC000101488112 KK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5cc(OC(F)(F)F)ccc5n3)C4)C[C@H]1CCC2 ZINC000101488115 KK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3C[C@@H](Nc3ccc5cc(OC(F)(F)F)ccc5n3)C4)C[C@@H]1CCC2 ZINC000101488117 KK Annotated Anodyne CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)/C=C\C=C(C)/C=C\C=C/C(C)=C/C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C ZINC000101488691 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C\C=C(C)\C=C/C=C\C(C)=C/C=C\C(C)=C/C=C1/C(C)=CC(=O)CC1(C)C ZINC000101488694 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)/C=C\C=C(C)/C=C\C=C/C(C)=C/C=C\C(C)=C/C=C1/C(C)=CC(=O)CC1(C)C ZINC000101488696 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C/C=C(C)/C=C\C=C/C(C)=C\C=C/C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C ZINC000101488697 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000101489522 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000101489524 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000101489525 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000101489526 KK Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000101489578 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c1)C1CC1)CCCCCC2 ZINC000101489580 KK Annotated Anodyne O=C(O)c1ccc(N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(N/C(S)=N/c2ccc(Cl)cc2Cl)c1 ZINC000101489818 KK Annotated Mild COc1cccc(CN2C[C@H](OC)[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@]45C(=O)O)C2)c1 ZINC000101490267 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)\C=C\C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000101492203 KK Annotated Mild COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccc(Cl)c(Cl)c4)nc2-3)cc1OC1CCCC1 ZINC000101494002 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000101494505 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000101494512 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000101494516 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000101495382 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000101495385 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000101495388 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000101495390 KK Annotated Mild CC(C)=CC[C@]12Oc3cc(O)c(C4=C[C@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000101498104 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)c(C4=C[C@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000101498108 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101498852 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101498856 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101498858 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000101498859 KK Annotated Mild CO[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000101499059 KK Annotated Mild CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCCc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000101500272 KK Annotated Anodyne CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000101500274 KK Annotated Anodyne CC(C)[C@H](C[C@H]1CC[C@@H](NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000101500276 KK Annotated Anodyne COc1ccc(Cn2cnc(N)c3nc(C(C)(C)COc4ccccc4-c4cccs4)nc2-3)cc1OC1CCCC1 ZINC000101501835 KK Annotated Anodyne Cn1c(=O)c([C@@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101503183 KK Annotated Anodyne Cn1c(=O)c([C@H](c2ccc(OC(F)(F)F)cc2)c2[nH]c3ccccc3c2CCNC(=O)c2ccccc2)c(O)c2ccccc21 ZINC000101503187 KK Annotated Anodyne C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000101503369 KK Annotated Clean O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCC2=NCCN2)CC1 ZINC000101504430 KK Annotated Anodyne O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCC2=NCCN2)CC1 ZINC000101504433 KK Annotated Anodyne COc1cc(/C=C/OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101506277 KK Annotated Anodyne CC(C)CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000101506512 KK Annotated Bother COc1cc(/C=C/OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101509634 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101509713 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000101509714 KK Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)CN(C[C@@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000101509786 KK Annotated Anodyne O=C(Nc1ccccc1Br)[C@@H]1CCCN1C(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1ccc2cc(F)ccc2c1 ZINC000101513464 KK Annotated Anodyne COc1cc(OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101514846 KK Annotated Anodyne CCCCCCCCCCCCCCC/C(NCc1cccc(N(C)C)c1)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515054 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(N(C)C)c1)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515061 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(N(C)C)c1)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515067 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1cccc(N(C)C)c1)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515075 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1N(C)C)=C1\C(=O)O[C@@H](CO)C1=O ZINC000101515405 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1N(C)C)=C1/C(=O)O[C@@H](CO)C1=O ZINC000101515412 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1N(C)C)=C1\C(=O)O[C@H](CO)C1=O ZINC000101515418 KK Annotated Mild CCCCCCCCCCCCCCC/C(NCc1ccccc1N(C)C)=C1/C(=O)O[C@H](CO)C1=O ZINC000101515427 KK Annotated Mild COc1cc(OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101519233 KK Annotated Anodyne COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000101524409 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000101525278 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000101525285 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000101525293 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000101525301 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@]42OO3)[C@@]1(C)S(C)(=O)=O ZINC000101526302 KK Annotated Reactive C=C(C)[C@@H](C=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000101527358 KK Annotated Mild Cc1cc(O)c2c3c(cc4c(c13)O[C@@H](C)C4(C)C)C(=O)[C@H](/N=c1\c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c53)O[C@@H](C)C4(C)C)C2=O ZINC000101528784 KK Annotated Anodyne Cc1cc(O)c2c3c(cc4c(c13)O[C@@H](C)C4(C)C)C(=O)[C@@H](/N=c1\c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c53)O[C@@H](C)C4(C)C)C2=O ZINC000101528792 KK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)n2Cc2ccccc2)c(S)cc1Cl ZINC000101530857 KK Annotated Anodyne CCCN(CC[C@@H]1CC[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2)CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000101533790 KK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccsc4)sc3c(=O)n2Cc2ccco2)c(S)cc1Cl ZINC000101539983 KK Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O)C(=O)C[C@H]32)C1(C)C ZINC000101541069 KK Annotated Mild CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000101541215 KK Annotated Anodyne CC1(C)[C@@H](NC(=O)c2cn(CCCCO)c3cc(Sc4ccccc4)ccc3c2=O)[C@]2(C)CC[C@@H]1C2 ZINC000101541252 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)O[C@@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000101545113 KK Annotated Anodyne CC(C)=C/C=C1\C(=O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](C(=O)C(C)C)(C1=O)C2=O ZINC000101545117 KK Annotated Mild COc1cc(OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000101546779 KK Annotated Bother CO[C@@H](c1ccc(O)cc1)[C@@]1(OC)C(=O)/C(=C2/C(=O)/C(=C/c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000101552035 KK Annotated Mild CO[C@H](c1ccc(O)cc1)[C@@]1(OC)C(=O)/C(=C2/C(=O)/C(=C/c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000101552041 KK Annotated Mild CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)/C(=C/c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000101552048 KK Annotated Mild CO[C@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)/C(=C/c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000101552055 KK Annotated Mild COc1ccc(CC(=O)N2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O3)O2)cc1 ZINC000101558126 KK Annotated Anodyne CC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000101558706 KK Annotated Reactive C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)CN(CCCc3ccccc3)C2)C1=O ZINC000101559903 KK Annotated Anodyne CC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@@H](C/C=C(\C)CCC=C(C)C)OC(C)=O ZINC000101560340 KK Annotated Reactive CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562742 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(Oc4ccccn4)cc32)CC1 ZINC000101562804 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562819 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000101562840 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cc(F)cc(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562864 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)c(Cl)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562874 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(Cl)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562878 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cc(F)cc(Cl)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562883 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)c(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562897 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000101562918 KK Annotated Anodyne COC1=C(CC=C(C)C)C(=O)[C@]2(C(=O)C(C)C)C(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C ZINC000101563148 KK Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000101563208 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000101563213 KK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3cc(C(C)(C)C)sc3c(=O)n2Cc2ccccc2)c(S)cc1Cl ZINC000101574131 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCC(=O)NC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577313 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577316 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCC(=O)NC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577331 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCC(=O)NC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577336 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCSCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577386 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCSCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577392 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCN(C)C13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577448 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCN(C)C13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577453 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCN(C)C13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577469 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCN(C)C13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577474 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCN(C)C13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577487 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCN(C)C13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577492 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577505 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577511 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577525 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577530 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577547 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577556 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577569 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577574 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCNC13CC4C[C@](C)(C1)C[C@](C)(C4)C3)C2 ZINC000101577586 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCNC13CC4C[C@@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000101577594 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/C(=O)C#C ZINC000101580146 KK Annotated Mild CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)c2cc3c(CC=C(C)C)c(C)cc(O)c3c(O)c2C1=O ZINC000101585738 KK Annotated Mild CCO/C(O)=C1/C(CC)=Nc2ccccc2N=C1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000101587247 KK Annotated Anodyne [N-]=[N+]=Nc1cc([125I])cc(CN2C(=O)CN(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 ZINC000101594983 KK Annotated Mild C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)CN(CCCc3ccccc3)C2)C1=O ZINC000101600798 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000101621877 KK Annotated Mild Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@H]3CCCc4c(Br)cccc43)C(F)(F)F)cc12 ZINC000101624962 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@H]3CCCc4c(Br)cccc43)C(F)(F)F)cc12 ZINC000101624965 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@H]3CCCc4c(Br)cccc43)C(F)(F)F)cc12 ZINC000101624968 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@H]3CCCc4c(Br)cccc43)C(F)(F)F)cc12 ZINC000101624971 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(C4CCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101625014 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(C4CCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101625017 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(C4CCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101625021 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(C4CCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000101625024 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN(C)[C@@H]3C2 ZINC000101630419 KK Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3CCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101633580 KK Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101633589 KK Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@@H](C2)N3CCCCCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101633593 KK Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCCCCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101633599 KK Annotated Anodyne CC1=C(O)[C@@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CCN(CCc3ccccc3)C2=O)OC1=O ZINC000101643166 KK Annotated Anodyne O=C(OCC1=CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@H](Cc2ccccc2)C1=O ZINC000101645228 KK Annotated Anodyne C[C@@H]1CC(=O)N(c2ccccc2C(=O)CC[C@@H]2CCCN(CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000101645501 KK Annotated Anodyne C[C@@H]1CC(=O)N(c2ccccc2C(=O)CC[C@H]2CCCN(CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000101645508 KK Annotated Anodyne CC(C)N(CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@]2(c3cccc(C#N)c3)C[C@H]2C1)C(C)C ZINC000101647446 KK Annotated Mild O=C1c2ccccc2C(=O)N1[C@@H]1CC[C@H](c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1 ZINC000101650134 KK Annotated Anodyne C=C(C)[C@@H]1OOC2(CCCCC2)O[C@@H]1CCO[C@@H]1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 ZINC000101651368 KK Annotated Reactive C=C(C)[C@@H]1OOC2(CCCCC2)O[C@@H]1CCO[C@H]1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 ZINC000101651370 KK Annotated Reactive COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc(Cl)cc1)=CC3=O)C2=O ZINC000101653438 KK Annotated Mild CC(C)C1=C[C@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)[C@@H]13 ZINC000101655025 KK Annotated Anodyne CC(C)C1=C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)[C@@H]13 ZINC000101655035 KK Annotated Anodyne CCCCCCCCCCc1ccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@]53OO4)[C@@]2(C)S(C)(=O)=O)cc1 ZINC000101658327 KK Annotated Reactive C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000101659684 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1C(F)(F)F)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000101663286 KK Annotated Mild CSC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000101664862 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CF)CC[C@H]3CO[C@@H]3CC[C@@H](C(=O)O)CC3)c(F)c2o1 ZINC000101664870 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3C)c(F)c2o1 ZINC000101664873 KK Annotated Anodyne CCOC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3ccccc3C)oc2c1F ZINC000101664883 KK Annotated Anodyne CCOC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000101664889 KK Annotated Anodyne COC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000101664897 KK Annotated Anodyne COC[C@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000101664901 KK Annotated Anodyne COC1CN(C[C@@H]2CC[C@@H](CO[C@@H]3CC[C@@H](C(=O)O)CC3)N2C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)C1 ZINC000101664915 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CN3CCOCC3)c(F)c2o1 ZINC000101664920 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CN3CCCO3)c(F)c2o1 ZINC000101664925 KK Annotated Anodyne CON(C)C[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000101664933 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CN(C)C)c(F)c2o1 ZINC000101664940 KK Annotated Anodyne COc1cc2nc(NC3C[C@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000101666953 KK Annotated Anodyne COc1cc2nc(NC3C[C@@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000101666963 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](COCc2ccccc2)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000101667023 KK Annotated Anodyne C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@@H]2OC(=O)/C=C/c2ccccc2)C1(C)C ZINC000101668153 KK Annotated Mild CC(=O)OC1=C(CC=C(C)C)C(=O)[C@]2(C(=O)C(C)C)C(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C ZINC000101671686 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000101672239 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000101672242 KK Annotated Reactive CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C/C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000101672656 KK Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(\C)COC(=O)CCC(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000101672932 KK Annotated Anodyne COc1cc(OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000101673591 KK Annotated Bother O=C1CCCN2[C@H]3[C@]45C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]6CCN(CCCC/C=C\CC4)C[C@@]63C[C@]2(CC1)O5 ZINC000101675430 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000101678254 KK Annotated Mild CC(=O)C(Sc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C/c1ccc(Cl)cc1)C(C)=O ZINC000101680103 KK Annotated Anodyne O=C(CCCCCNC(=O)c1ccccc1)/N=N/c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000101683075 KK Annotated Clean C=CC(C)(C)c1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000101689217 KK Annotated Mild C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CC3CCCCC3)CN(CCCc3ccccc3)C2)C1=O ZINC000101691448 KK Annotated Anodyne Nc1ncc(-c2cnn([C@@H]3CC[C@@H](O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12 ZINC000101691799 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@]23C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](C(=O)C(C)C)(C(=O)C(CC=C(C)C)=C2O1)C3=O ZINC000101695138 KK Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1Cc1ccccc1)C2 ZINC000101696395 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)c1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000101697176 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OCCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000101698378 KK Annotated Anodyne CC1=C(O)[C@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CCN(CCc3ccccc3)C2=O)OC1=O ZINC000101699526 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C2CCCC2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101700909 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C(=O)c2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101702392 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101706690 KK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101706693 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101706696 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000101706699 KK Annotated Mild CO[C@]1([C@@H]2CSC(=O)N2Cc2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000101708072 KK Annotated Anodyne CCCCCC[C@H]1C[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)CN(CCCc2ccccc2)C1 ZINC000101708433 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@]([C@H](CC(=O)O)c3ccccc3)(C2=O)C1(C)C ZINC000101718783 KK Annotated Mild Cc1cc(C=C(P(=O)(OC(C)C)OC(C)C)P(=O)(OC(C)C)OC(C)C)c2ccccc2c1O ZINC000101722758 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N(CC1C[C@H]2CC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000101747452 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N(CC1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000101747463 KK Annotated Anodyne CCN(CC)/C(=N/C(=N)NCc1ccc(Cl)cc1)NCCCCCCN/C(=N\C(=N)NCc1ccc(Cl)cc1)N(CC)CC ZINC000101750127 KK Annotated Mild C=CCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@H](O)C(=O)/C4=C\NCC=C)C=C3C)c(O)c21 ZINC000101770709 KK Annotated Mild C=CCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@H](O)C(=O)/C4=C\NCC=C)C=C3C)c(O)c21 ZINC000101770714 KK Annotated Mild C=CCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@@H](O)C(=O)/C4=C\NCC=C)C=C3C)c(O)c21 ZINC000101770718 KK Annotated Mild C=CCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@@H](O)C(=O)/C4=C\NCC=C)C=C3C)c(O)c21 ZINC000101770722 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000101773942 KK Annotated Anodyne in-vitro CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(/N=C(\O)OC(C)(C)C)c2)c1O ZINC000101784243 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)C1=O ZINC000101788689 KK Annotated Mild CCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)C1=O ZINC000101788694 KK Annotated Mild COc1cccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c1OC ZINC000101793875 KK Annotated Reactive COCC/N=C/C1=C(O)[C@@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CCOC)c4c3O)=C(O)[C@H]21 ZINC000101794073 KK Annotated Mild COCC/N=C/C1=C(O)[C@@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CCOC)c4c3O)=C(O)[C@@H]21 ZINC000101794075 KK Annotated Mild COCC/N=C/C1=C(O)[C@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CCOC)c4c3O)=C(O)[C@H]21 ZINC000101794078 KK Annotated Mild COCC/N=C/C1=C(O)[C@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CCOC)c4c3O)=C(O)[C@@H]21 ZINC000101794083 KK Annotated Mild C[C@H](CCCCCCCCC(=O)CCCCCCCCC[C@H](O)CO)C(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000101803891 KK Annotated Mild C[C@@H](CCCCCCCCC(=O)CCCCCCCCC[C@@H](O)CO)C(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000101803895 KK Annotated Mild C[C@H](CCCCCCCCC(=O)CCCCCCCCC[C@@H](O)CO)C(=O)C1=C(O)[C@H](Cc2ccc(O)cc2)NC1=O ZINC000101803899 KK Annotated Mild CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101805179 KK Annotated Anodyne CC(=O)Nc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2-c2ccccc2F)cc1 ZINC000101807815 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[S@@](=O)[C@@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000101812236 KK Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)/N=N/c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000101813978 KK Annotated Clean COc1ccc([C@H](CN(C)C)C2(OC(=O)CCC(=O)NC34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)CCCCC2)cc1 ZINC000101814781 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H]3C[C@@H](C(C)(C)O)[C@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](C[C@H](O)C(C)(C)O)(C2=O)C3(C)C ZINC000101815606 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H]3C[C@@H](C(C)(C)O)[C@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](C[C@@H](O)C(C)(C)O)(C2=O)C3(C)C ZINC000101815611 KK Annotated Mild CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000101825438 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 ZINC000101837539 KK Annotated Reactive COc1cc(-c2cc(SC)nc(Nc3nc(NC(C)(C)C)nc(NC(C)(C)C)n3)n2)cc(OC)c1OC ZINC000101839513 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2cccn2C)CC1 ZINC000101840907 KK Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]21 ZINC000101853254 KK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]21 ZINC000101853260 KK Annotated Mild CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101857017 KK Annotated Mild CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101857027 KK Annotated Mild CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2cccnc2)CC1 ZINC000101860437 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2ccccc2)CC1 ZINC000101862172 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2ccco2)CC1 ZINC000101863559 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C2CCN(C)CC2)CC1 ZINC000101867809 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(F)(F)F)CC1 ZINC000101869248 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000101873072 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3Cc3c(O)cc(O)cc31)c1cc(C)cc(O)c1C2=O ZINC000101874743 KK Annotated Anodyne CCCCn1c(=S)[nH]c2c(c1=N)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2c1ccc(S(N)(=O)=O)cc1 ZINC000101876536 KK Annotated Mild CCCCn1c(=S)[nH]c2c(c1=N)[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2c1ccc(S(N)(=O)=O)cc1 ZINC000101876541 KK Annotated Mild CCCCNC(=S)NC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000101879424 KK Annotated Reactive CCCCNC(=S)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000101879429 KK Annotated Reactive Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NC(C)C)C(=O)C(O)=C3C(C)C)/C(=C/NC(C)C)C(=O)C(O)=C2C(C)C ZINC000101882653 KK Annotated Mild CCc1cc(C(=O)/N=N/c2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1 ZINC000101884143 KK Annotated Clean C=CCn1c(=S)[nH]c2c(c1=N)[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2c1ccc(S(N)(=O)=O)cc1 ZINC000101885272 KK Annotated Mild C=CCn1c(=S)[nH]c2c(c1=N)[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2c1ccc(S(N)(=O)=O)cc1 ZINC000101885277 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NC1CC1)C(=O)C(O)=C3C(C)C)/C(=C/NC1CC1)C(=O)C(O)=C2C(C)C ZINC000101887922 KK Annotated Mild COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)N1 ZINC000101892967 KK Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)N1 ZINC000101892973 KK Annotated Anodyne Cc1ccc(Cn2c(O)c(/N=N/C(S)=N/c3ccccc3F)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 ZINC000101894952 KK Annotated Mild CCCCCCCCn1c2ccccc2c2ccc(OC3=C(O)[C@H](Cc4ccc5c(c4)OCO5)N(Cc4ccccc4)C3=O)cc21 ZINC000101899529 KK Annotated Mild COc1ccc(/C=C2\CN(CC3=CC(C)(C)N([O])C3(C)C)C/C(=C\c3ccc(OC)c(OC)c3OC)C2=O)c(OC)c1OC ZINC000101902079 KK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000101902813 KK Annotated Reactive CC1(C)C=C(CN2C/C(=C\c3ccc(C(F)(F)F)cc3)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C2)C(C)(C)N1[O] ZINC000101903695 KK Annotated Mild CC1(C)c2cnc(CN3C/C(=C\c4ccc(F)cc4)C(=O)/C(=C/c4ccc(F)cc4)C3)cc2C(C)(C)N1[O] ZINC000101904657 KK Annotated Mild O=C1/C(=N\c2cccc(OC(=O)c3ccccc3[N+](=O)[O-])c2)C(n2nnc3ccccc32)=C(O)c2ccccc21 ZINC000101908082 KK Annotated Mild C/C1=C\[C@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000101910590 KK Annotated Mild O=C(/C=C/c1ccco1)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000101917152 KK Annotated Mild CCc1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000101923831 KK Annotated Anodyne CC1=C[C@@H]2[C@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000101928187 KK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000101928195 KK Annotated Mild O=C(O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21)C1CC1 ZINC000101932940 KK Annotated Mild Cc1ccc(CN2c3ccccc3C(O)=C(/C=N/c3ccc4c(c3)N3CCN=C3S4)S2(=O)=O)cc1 ZINC000101933211 KK Annotated Mild CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C2CCOCC2)CC1 ZINC000101933865 KK Annotated Anodyne c1ccc(/N=c2\sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)s/c2=N/c2ccccc2)cc1 ZINC000101959053 KK Annotated Anodyne c1ccc(/N=c2\sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)s/c2=N\c2ccccc2)cc1 ZINC000101959057 KK Annotated Anodyne c1ccc(/N=c2/sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)s/c2=N/c2ccccc2)cc1 ZINC000101959061 KK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000101961255 KK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000101961259 KK Annotated Mild CCCCCCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000101965220 KK Annotated Mild CCCC[C@@]1(CCCCCCCCCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101967624 KK Annotated Bother CCCC[C@]1(CCCCCCCCCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101967629 KK Annotated Bother CCCCN(CCCC)c1ccc(CNC[C@@H]2CC[C@@H](N(C)C(=O)c3cccc4ccccc34)CC2)cc1 ZINC000101967777 KK Annotated Clean CCCCCCCCCC(=O)OC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)C(=O)c2ccccc21 ZINC000101968401 KK Annotated Mild CCCCCCCCCCC[C@@]1(CCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101969702 KK Annotated Mild CCCCCCCCCCC[C@]1(CCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101969709 KK Annotated Mild CCCCCC[C@@]1(CCCCCCCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101969715 KK Annotated Bother CCCCCC[C@]1(CCCCCCCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101969720 KK Annotated Bother C[C@@H]1[C@@H]2C3=CC(NCc4ccccc4)=CC[C@@H]3[C@H](Cc3ccc(NCc4ccccc4)cc32)N1CC1CC1 ZINC000101971280 KK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101973711 KK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101973715 KK Annotated Mild CCCCCCCC[C@@]1(CCCCCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101973723 KK Annotated Mild CCCCCCCC[C@]1(CCCCCCCCCO[P@]([O])(=O)OC2CC[N+](C)(C)CC2)OCC(C)(C)N1O ZINC000101973726 KK Annotated Mild CCC/C(=N\OCC)C1=C(O)C[C@H](c2ccc([C@@H]3CC(=O)C(/C(CCC)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000101981589 KK Annotated Mild CCC/C(=N\OCC)C1=C(O)C[C@H](c2ccc([C@H]3CC(=O)C(/C(CCC)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000101981593 KK Annotated Mild Cc1ccc(Oc2nc3ccccc3cc2[C@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1 ZINC000101983927 KK Annotated Mild Cc1ccc(Oc2nc3ccccc3cc2[C@@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1 ZINC000101983930 KK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101984537 KK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101984541 KK Annotated Mild COc1ccc2nc(Oc3ccc(Cl)cc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101984545 KK Annotated Mild COc1ccc2nc(Oc3ccc(Cl)cc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101984549 KK Annotated Mild Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1 ZINC000101985293 KK Annotated Mild Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccc(C)cc32)cc1 ZINC000101985296 KK Annotated Mild CCC/C(=N\OCC)C1=C(O)C[C@H](c2cccc([C@@H]3CC(=O)C(/C(CCC)=N/OCC)=C(O)C3)c2)CC1=O ZINC000101985485 KK Annotated Mild CCC/C(=N\OCC)C1=C(O)C[C@@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OCC)=C(O)C3)c2)CC1=O ZINC000101985490 KK Annotated Mild COc1ccc2nc(Oc3ccccc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101985997 KK Annotated Mild COc1ccc2nc(Oc3ccccc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101986003 KK Annotated Mild Cc1ccc2nc(Oc3ccc(Cl)cc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101986285 KK Annotated Mild Cc1ccc2nc(Oc3ccc(Cl)cc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101986288 KK Annotated Mild COc1ccc2nc(Oc3ccccc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101986293 KK Annotated Mild COc1ccc2nc(Oc3ccccc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101986298 KK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101986742 KK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101986746 KK Annotated Mild Cc1ccc2oc(=O)c3c(c2c1)OC(N)=C(CC#N)[C@H]3c1cc2ccccc2nc1Oc1ccc(Cl)cc1 ZINC000101987088 KK Annotated Mild Cc1ccc2oc(=O)c3c(c2c1)OC(N)=C(CC#N)[C@@H]3c1cc2ccccc2nc1Oc1ccc(Cl)cc1 ZINC000101987093 KK Annotated Mild Cc1ccc2nc(Oc3ccccc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101987099 KK Annotated Mild Cc1ccc2nc(Oc3ccccc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101987105 KK Annotated Mild Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000101987940 KK Annotated Mild Cc1ccc(Oc2nc3ccc(C)cc3cc2[C@@H]2C(CC#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1 ZINC000101987944 KK Annotated Mild Cc1ccc2nc(Oc3ccc(Cl)cc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101988955 KK Annotated Mild Cc1ccc2nc(Oc3ccc(Cl)cc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccccc43)cc2c1 ZINC000101988958 KK Annotated Mild COc1ccc2nc(Oc3ccc(Cl)cc3)c([C@@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101991236 KK Annotated Mild COc1ccc2nc(Oc3ccc(Cl)cc3)c([C@H]3C(CC#N)=C(N)Oc4c3c(=O)oc3ccc(C)cc43)cc2c1 ZINC000101991238 KK Annotated Mild N#CCC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2nc1Oc1ccc(Cl)cc1 ZINC000101991996 KK Annotated Mild N#CCC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc2ccccc2nc1Oc1ccc(Cl)cc1 ZINC000101991999 KK Annotated Mild CC(C)COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000101992839 KK Annotated Reactive CC(C)Oc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000101993656 KK Annotated Reactive CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N1C[C@@H]2C[C@@H]1CN2C)OC(=O)Cc1ccccc1 ZINC000101994766 KK Annotated Anodyne CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N1C[C@H]2C[C@H]1CN2C)OC(=O)Cc1ccccc1 ZINC000101994770 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3cccc(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000101994975 KK Annotated Mild CCc1cc(=O)c2ccc(OCc3cccc(OC)c3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101996537 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC)c3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000101996541 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cc(OC)cc(OC)c3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102000918 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cc(OC)cc(OC)c3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102000923 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC(F)(F)F)c3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102000934 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC(F)(F)F)c3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102000939 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C)c3)c(COC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102001506 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C)c3)c(COC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000102001512 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCC[C@@H]1C[C@@H]2CC[C@@H]1C2 ZINC000102003360 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCC[C@H]1C[C@@H]2CC[C@@H]1C2 ZINC000102003367 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2[C@@H](O)C(=O)C=C[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000102004544 KK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(C)cc2)C[C@@H]3c2ccc(C)cc2)cc1 ZINC000102012129 KK Annotated Mild Cc1ccc([C@H]2C[C@H](c3ccc(C)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000102012133 KK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(C)cc2)C[C@H]3c2ccc(C)cc2)cc1 ZINC000102012139 KK Annotated Mild Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000102012143 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(F)cc2)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000102019017 KK Annotated Mild Fc1ccc([C@H]2C[C@H](c3ccc(F)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(F)cc2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000102019023 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)O[C@@H](O)[C@@]1(C)[C@@H]2CC[C@@]12[C@@H]3N[C@@H]4[C@@H](CC[C@@]45CCC[C@H]51)[C@]2(C)CC[C@@H]3C(C)C ZINC000102028489 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)O[C@@H](O)[C@@]1(C)[C@@H]2CC[C@@]12[C@@H]3N[C@@H]4[C@H](CC[C@@]45CCC[C@H]51)[C@]2(C)CC[C@@H]3C(C)C ZINC000102028497 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)O[C@@H](O)[C@@]1(C)[C@@H]2CC[C@@]12[C@@H]3N[C@H]4[C@@H](CC[C@@]45CCC[C@H]51)[C@]2(C)CC[C@@H]3C(C)C ZINC000102028502 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)O[C@@H](O)[C@@]1(C)[C@@H]2CC[C@@]12[C@@H]3N[C@H]4[C@H](CC[C@@]45CCC[C@H]51)[C@]2(C)CC[C@@H]3C(C)C ZINC000102028507 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@@H]2N(C(=O)c2ccnc3ccccc23)c2ccccc2)cc1 ZINC000102030810 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(C(=O)c2ccnc3ccccc23)c2ccccc2)cc1 ZINC000102030816 KK Annotated Anodyne C=CCO/N=C(\CCC)C1=C(O)C[C@H](c2cccc([C@@H]3CC(=O)C(/C(CCC)=N/OCC=C)=C(O)C3)c2)CC1=O ZINC000102033755 KK Annotated Mild C=CCO/N=C(\CCC)C1=C(O)C[C@@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OCC=C)=C(O)C3)c2)CC1=O ZINC000102033760 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)/C=C(\C)CCCCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000102036569 KK Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(Nc2ccc(O)c(C[C@]3(C)[C@@H](C)CC[C@@]4(C)C(=C)CCC[C@H]43)c2)=CC1=O ZINC000102037461 KK Annotated Mild C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(Nc2ccc(O)c(C[C@]3(C)[C@@H](C)CC[C@@]4(C)C(=C)CCC[C@H]43)c2)C1=O ZINC000102037718 KK Annotated Mild C/C=C1/C[n+]2ccc3c([nH]c4ccccc43)c2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000102037936 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000102040510 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCN(c2ccc3c(c2)[C@@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000102040516 KK Annotated Anodyne CCCCCC(=O)c1c(OC)cc(O)c(O)c1CC1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C1=O ZINC000102051362 KK Annotated Mild CCCCCC(=O)c1c(OC)cc(O)c(O)c1CC1=C(O)[C@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C1=O ZINC000102051370 KK Annotated Mild CCc1c(Cc2ccccc2)nc(SCc2ccc(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)cc2)[nH]c1=O ZINC000102057541 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(O)cc(OC)c2C(=O)CCC)C1=O ZINC000102061213 KK Annotated Mild CCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(O)cc(OC)c2C(=O)CCC)C1=O ZINC000102061215 KK Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccc(-c3cncs3)cc1)C2 ZINC000102068663 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2Cc3[nH]ncc3[C@H]1C[C@@H](c1ccc(-c3cncs3)cc1)C2 ZINC000102068666 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CCC(C)(C)O)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102069273 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCCCCC ZINC000102070790 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCCCCCCCCC ZINC000102070955 KK Annotated Mild Cc1cc(C)cc(Cc2c(C(C)C)c(=O)[nH]c(=O)n2COCc2ccc(Cc3cccc(C(=O)/C=C(\O)C(=O)O)c3)cc2)c1 ZINC000102078604 KK Annotated Mild C=C(C)[C@@H](O)C[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000102080920 KK Annotated Mild C=C(C)[C@H](C[C@@H](O)C(=C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102080924 KK Annotated Mild O=C1/C(=C/c2ccccc2)S[C@H]2Nc3c(c(-c4ccccc4)cn3-c3ccc(Cl)c(Cl)c3)C(=S)N12 ZINC000102081470 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)S[C@@H]2Nc3c(c(-c4ccccc4)cn3-c3ccc(Cl)c(Cl)c3)C(=S)N12 ZINC000102081474 KK Annotated Anodyne N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 ZINC000102086174 KK Annotated Reactive N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 ZINC000102086180 KK Annotated Reactive N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 ZINC000102086187 KK Annotated Reactive N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 ZINC000102086194 KK Annotated Reactive O=C1/C(=C/c2ccccc2)S[C@@H]2Nc3c(c(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)C(=S)N12 ZINC000102126909 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)S[C@H]2Nc3c(c(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)C(=S)N12 ZINC000102126913 KK Annotated Anodyne C=C1[C@@H](OC(=O)Cc2cc(OC)ccc2OC)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102128962 KK Annotated Mild C=Cc1c[n+]2c(c(O)c1C[C@H]1c3[nH]c4ccccc4c3CCN1C)-c1[nH]c3c([C@H]4CCCN4C)c(O)ccc3c1CC2 ZINC000102129877 KK Annotated Clean CC1(C)O[C@@H]2[C@@H](O1)C(c1ccccc1)(c1ccccc1)OP(=O)(O)OC2(c1ccccc1)c1ccccc1 ZINC000102132530 KK Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)C(c1ccccc1)(c1ccccc1)OP(=O)(O)OC2(c1ccccc1)c1ccccc1 ZINC000102132532 KK Annotated Anodyne CC1(C)O[C@H]2[C@H](O1)C(c1ccccc1)(c1ccccc1)OP(=O)(O)OC2(c1ccccc1)c1ccccc1 ZINC000102132536 KK Annotated Anodyne C=C1[C@@H](OC(=O)COc2ccc3ccccc3c2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102135010 KK Annotated Mild C=C1[C@@H](OC(=O)Cc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102138408 KK Annotated Mild CCCCCCCCCCOCCC12C[C@@H]3C[C@@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102141980 KK Annotated Mild CCCCCCCCCCOCCC12C[C@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102141990 KK Annotated Mild C=C1[C@@H](OC(=O)CCc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102145357 KK Annotated Mild C=C1[C@@H](OC(=O)CCC2CCCCC2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102147679 KK Annotated Mild C=C1[C@@H](OC(=O)Cc2cccs2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102149312 KK Annotated Mild CC[C@@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C=CN(Cc4ccccc4)C=C3C(=O)[C@]2(C)OC1=O ZINC000102150431 KK Annotated Mild CC[C@H](C)/C=C/C=C/C=C/C(=O)/C=C(\O)C1=C2C=C3C=CN(Cc4ccccc4)C=C3C(=O)[C@]2(C)OC1=O ZINC000102150438 KK Annotated Mild C=C1[C@@H](OC(=O)CCc2cccnc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102151304 KK Annotated Mild C=C1[C@@H](OC(=O)CCCc2cccs2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102152176 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C\c2ccco2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102152319 KK Annotated Mild CCOC(=O)N[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000102152336 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000102152341 KK Annotated Anodyne C=C1[C@@H](OC(=O)CCC2CCCCC2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102152965 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C[C@H](O)C(C)(C)O)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102154361 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C[C@@H](O)C(C)(C)O)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102154366 KK Annotated Mild CCCCCCCCOCCC12C[C@@H]3C[C@@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102155443 KK Annotated Mild CCCCCCCCOCCC12C[C@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102155450 KK Annotated Mild C=C1[C@@H](OC(=O)c2cccnc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102156026 KK Annotated Mild C=C1[C@@H](OC(=O)CCc2cccs2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102156709 KK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156774 KK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156779 KK Annotated Mild C[C@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156784 KK Annotated Mild C[C@@H]1/C(=N\CCCN(C)C)c2c(n(O)c3ccc(Cl)cc3c2=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102156786 KK Annotated Mild [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(CC/C=C\CCCCN[C@@H]21)C3 ZINC000102157460 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102157482 KK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000102160498 KK Annotated Anodyne COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)cc1 ZINC000102162101 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)c2sc4ccccc4n23)cc1 ZINC000102162104 KK Annotated Bother C=C1[C@@H](OC(=O)Cc2cccc3ccccc23)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102162267 KK Annotated Mild C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000102162564 KK Annotated Anodyne in-man C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000102162571 KK Annotated Anodyne in-man C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000102162576 KK Annotated Anodyne in-man CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)CO)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000102162662 KK Annotated Anodyne C1=C\CC[C@]23CN4CCCC/C=C\CC[C@@]5(O[C@H]5[C@@H](c5nccc6c5[nH]c5ccccc56)[C@@H]2CC4)[C@@H]3NCCCC/1 ZINC000102166063 KK Annotated Anodyne CC1=C(C#C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)/C=C2\C(C)(C)C[C@H](O)C[C@@]2(C)O)CO)C(C)(C)C[C@H](O)C1 ZINC000102167158 KK Annotated Mild C=C1[C@@H](OC(=O)CCCCc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102167229 KK Annotated Mild COc1cc(OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000102167332 KK Annotated Bother Oc1cccc2c1[nH]c1c([C@H]3[C@@H]4CCN5CCCC/C=C\CC[C@@]6(O[C@@H]36)[C@@H]3NCCCC/C=C\CC[C@]43C5)nccc12 ZINC000102167504 KK Annotated Anodyne CN(C(=O)NCCc1c([C@H](c2ccc(C(F)(F)F)cc2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12)c1ccccc1 ZINC000102167714 KK Annotated Anodyne CN(C(=O)NCCc1c([C@@H](c2ccc(C(F)(F)F)cc2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12)c1ccccc1 ZINC000102167719 KK Annotated Anodyne CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000102168305 KK Annotated Clean COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)cc1 ZINC000102169406 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2cc3c(cc2F)c(=O)c(C(=O)O)c2sc4ccccc4n23)cc1 ZINC000102169411 KK Annotated Bother CCCCCc1ccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@]53OO4)[C@@]2(C)S(=O)(=O)c2ccccc2)cc1 ZINC000102169835 KK Annotated Reactive O=C1CCCN2[C@H]3[C@]45CN6CCCC/C=C\CC[C@]3(C=C(c3nccc7c3[nH]c3c(O)cccc37)[C@H]4CC6)O[C@]2(CC1)C5 ZINC000102170737 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000102170906 KK Annotated Anodyne CCCCCCCCCCCCOCCC12C[C@@H]3C[C@@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102171311 KK Annotated Mild CCCCCCCCCCCCOCCC12C[C@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000102171321 KK Annotated Mild CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2O[C@H](C)CN(Cc4ccccc4Cl)C[C@@H]2O)[C@]13C(=O)O ZINC000102171689 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2O[C@H](C)CN(Cc4ccccc4Cl)C[C@@H]2O)[C@]13C(=O)O ZINC000102171704 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@@H]2O[C@H](C)CN(Cc4ccccc4Cl)C[C@@H]2O)[C@]13C(=O)O ZINC000102171710 KK Annotated Mild CC(/C=C/[C@H](OC(=O)CCC(=O)O)[C@@H](C)/C=C/C(=O)O)=C\C[C@H]1O[C@@]2(CC[C@H](C)[C@H](/C=C/C(C)=C/C(=O)O)O2)CC[C@@H]1C ZINC000102171991 KK Annotated Anodyne CCC1=CN2CC[C@@]34C(=Nc5ccccc53)[C@@]3(CC5=C6N(C3)c3ccccc3[C@@]63CCN6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000102176986 KK Annotated Anodyne COc1cc2c(cc1OC)CN(c1cc3c(cc1F)c(=O)c(C(=O)O)c1sc4ccccc4n13)CC2 ZINC000102181821 KK Annotated Bother CC(C)CC[C@H]1C[C@]2(C[C@@H](CCC(C)C)C(C)C)C(=O)[C@@](CCC(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000102184371 KK Annotated Mild CCCCCCCC[C@@H](CCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000102186225 KK Annotated Mild CCCCCCCC[C@H](CCCCCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000102186229 KK Annotated Mild C=C1CC[C@@H]2O[C@]2(COC(=O)CCCCCCCCCCC)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000102186411 KK Annotated Mild C[C@H]1CCC[C@H]2CC[C@H](C2)[C@@H](C)CCC[C@@H](C)CC[C@@H](C)CCC[C@@H](C)[C@H]2CC[C@@H](CCC[C@@H](C)CCO[C@@H](CO)COCC1)C2 ZINC000102186973 KK Annotated Anodyne C[C@H]1CCC[C@H]2CC[C@H](C2)[C@@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)[C@H]2CC[C@@H](CCC[C@@H](C)CCO[C@@H](CO)COCC1)C2 ZINC000102186978 KK Annotated Anodyne C[C@H]1CCC[C@H]2CC[C@H](C2)[C@H](C)CCC[C@@H](C)CC[C@@H](C)CCC[C@@H](C)[C@H]2CC[C@@H](CCC[C@@H](C)CCO[C@@H](CO)COCC1)C2 ZINC000102186983 KK Annotated Anodyne C[C@H]1CCC[C@H]2CC[C@H](C2)[C@H](C)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)[C@H]2CC[C@@H](CCC[C@@H](C)CCO[C@@H](CO)COCC1)C2 ZINC000102186987 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187554 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187558 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187562 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187563 KK Annotated Anodyne CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187570 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187574 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187578 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187580 KK Annotated Mild CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187584 KK Annotated Anodyne CCCCCC[C@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187589 KK Annotated Anodyne CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187594 KK Annotated Anodyne CCCCCC[C@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187597 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187602 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187605 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187607 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187609 KK Annotated Anodyne OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187618 KK Annotated Anodyne OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187624 KK Annotated Anodyne OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187629 KK Annotated Anodyne OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187634 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187640 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187647 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187654 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187661 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187666 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187670 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187674 KK Annotated Anodyne OC[C@@H](COCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187681 KK Annotated Anodyne CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187687 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187692 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187695 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187697 KK Annotated Mild CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187701 KK Annotated Anodyne CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187704 KK Annotated Anodyne CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187708 KK Annotated Anodyne CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187711 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187733 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187736 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187741 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187746 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187766 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187769 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187775 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187777 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187781 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187785 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187788 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187791 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187795 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187800 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187803 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187806 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187811 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187813 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187819 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102187822 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=C[C@@H](O)CC1(C)C ZINC000102191974 KK Annotated Anodyne CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=CC(=O)CC1(C)C ZINC000102191977 KK Annotated Mild CC1=CC=CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=CC=CC1(C)C ZINC000102191980 KK Annotated Bother CC1=CC=CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=C[C@H](O)CC1(C)C ZINC000102191985 KK 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=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000102191991 KK 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=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000102191994 KK 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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000102192007 KK Annotated Anodyne in-vitro 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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000102192014 KK 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=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000102192022 KK Annotated Anodyne in-vitro 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=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000102192038 KK Annotated Anodyne in-vitro CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=C[C@@H](O)CC1(C)C ZINC000102192049 KK 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=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000102192054 KK 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=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000102192057 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000102192064 KK 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=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000102192072 KK 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#CC2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000102192077 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000102192107 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000102192115 KK Annotated Anodyne 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(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000102192122 KK 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(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O ZINC000102192126 KK 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=C/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000102192133 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000102192139 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O ZINC000102192155 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@H]1O ZINC000102192163 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000102192169 KK 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#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000102192175 KK 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(=O)[C@@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000102192198 KK 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=C/C(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000102192210 KK 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=C/C=C(C)/C=C/CC(C)(C)O)C(C)(C)C[C@H](O)C1=O ZINC000102192226 KK Annotated Mild 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=C/C=C(C)/C=C/C=C(C)C ZINC000102192239 KK Annotated Anodyne COC(C)(C)C/C=C/C(C)=C/C=C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000102192272 KK 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/C1=C(C)C[C@@H](O)CC1(C)C)CO ZINC000102192283 KK Annotated Anodyne 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=C/C=C(\C)CCCC(C)(C)O ZINC000102192298 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O ZINC000102192308 KK Annotated Anodyne in-vitro 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=C/C=C(C)/C=C/CC(C)(C)O ZINC000102192315 KK Annotated Anodyne CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@@H](O)[C@@H]1O ZINC000102192335 KK Annotated Anodyne CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@@H](O)[C@H]1O ZINC000102192342 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000102192349 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000102192356 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/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 ZINC000102192361 KK Annotated Anodyne CC1=CC(=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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000102192365 KK Annotated Mild C=C1C[C@@H](O)CC(C)(C)[C@]1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000102192376 KK 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)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000102192382 KK Annotated Mild CC1=C[C@H](O)CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O ZINC000102192391 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCCC(C)(C)O ZINC000102192404 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)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(C)(C)O ZINC000102192409 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)C(C)(C)O ZINC000102192417 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCCC(C)(C)O ZINC000102192423 KK Annotated Mild 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=C(\C)CCCC(C)C ZINC000102192429 KK Annotated Anodyne CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000102192447 KK Annotated Anodyne CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000102192452 KK Annotated Anodyne CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000102192456 KK Annotated Anodyne CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000102192461 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000102192565 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000102192572 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000102192579 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000102192581 KK Annotated Anodyne CC(C)CCCCCCCCCC/C=C\[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCC(C)C)[C@@](N)(CS(=O)(=O)O)C(=O)O ZINC000102192772 KK Annotated Anodyne CC(C)CCCCCCCCCC/C=C\[C@@H](O)[C@@H](OC(=O)CCCCCCCCCCCC(C)C)[C@@](N)(CS(=O)(=O)O)C(=O)O ZINC000102192778 KK Annotated Anodyne CC(C)CCCCCCCCCC/C=C\[C@H](O)[C@H](OC(=O)CCCCCCCCCCCC(C)C)[C@@](N)(CS(=O)(=O)O)C(=O)O ZINC000102192782 KK Annotated Anodyne CC(C)CCCCCCCCCC/C=C\[C@H](O)[C@@H](OC(=O)CCCCCCCCCCCC(C)C)[C@@](N)(CS(=O)(=O)O)C(=O)O ZINC000102192787 KK 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)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000102193359 KK 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)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000102193363 KK 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)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000102193368 KK 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)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000102193373 KK Annotated Mild CCC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(O)=C(c2c[nH]c3c(CCC(C)C)cccc23)C(=O)C1=O ZINC000102198464 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000102201196 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000102201201 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000102201206 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000102201209 KK Annotated Mild O[C@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000102207555 KK Annotated Anodyne CC(/C=C/[C@@H]1CC=CC(=O)O1)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O ZINC000102216100 KK Annotated Anodyne COc1cc(OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102221131 KK Annotated Anodyne C=C1CC[C@@H]2O[C@]2(COC(=O)CCCCCCCCCCCCC)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000102221334 KK Annotated Mild O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c1)C1CC1)CCCCCC2 ZINC000102226225 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)c1)C1CC1)CCCCCC2 ZINC000102226228 KK Annotated Anodyne COc1cc(OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000102229513 KK Annotated Bother O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000102229669 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCCO[P@]([O])(=O)OCC[N+](C)(C)C)OCC(C)(C)N1O ZINC000102229885 KK Annotated Bother CCCCCC[C@]1(CCCCCCCCCCCO[P@]([O])(=O)OCC[N+](C)(C)C)OCC(C)(C)N1O ZINC000102229887 KK Annotated Bother CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@]13OO2 ZINC000102234044 KK Annotated Reactive CO/N=C/c1cccc([C@]23CC[C@H](N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)C[C@@H]2C3)c1 ZINC000102236932 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NCCCO)C(=O)C(O)=C3C(C)C)/C(=C/NCCCO)C(=O)C(O)=C2C(C)C ZINC000102237752 KK Annotated Mild C=C(C)[C@H]1CC[C@H]2[C@@H](CC=C(C)C)C(C)(C)[C@@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000102240388 KK Annotated Mild C=C(C)[C@H]1CC[C@@H]2[C@@H](CC=C(C)C)C(C)(C)[C@@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000102240397 KK Annotated Mild CN1CCc2c([nH]c3ccccc23)[C@H]1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000102240718 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccc(F)cc3F)c1)C1CC1)CCCCCC2 ZINC000102241025 KK Annotated Anodyne O=c1c2c(oc(O)c1[C@@H](c1cccc(NS(=O)(=O)c3ccc(F)cc3F)c1)C1CC1)CCCCCC2 ZINC000102241031 KK Annotated Anodyne COc1ccc([C@@H]2N=C(SCc3ccccc3Cl)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000102244302 KK Annotated Anodyne COc1ccc([C@H]2N=C(SCc3ccccc3Cl)NC(C)=C2C(=O)Nc2ccc(Br)cc2)cc1 ZINC000102244305 KK Annotated Anodyne CC(C)[C@@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000102247976 KK Annotated Mild CC(C)[C@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000102247980 KK Annotated Mild CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2Cl)N=C(SCc2ccc(Cl)cc2)N1 ZINC000102248061 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)N=C(SCc2ccc(Cl)cc2)N1 ZINC000102248065 KK Annotated Anodyne Cc1ccc(NC(=O)N(CCCN2[C@H]3CC[C@@H]2C[C@@H](n2c(C)nc4cc(S(C)(=O)=O)ccc42)C3)c2ccccc2)cc1 ZINC000102252359 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2Cl)N=C(SCc2ccccc2)N1 ZINC000102253993 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)N=C(SCc2ccccc2)N1 ZINC000102253997 KK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccc(Br)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102256040 KK Annotated Anodyne C=C1[C@@H](OC(=O)Cc2cccs2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102258728 KK Annotated Mild CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2Cl)N=C(SCc2ccccc2Cl)N1 ZINC000102258820 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)N=C(SCc2ccccc2Cl)N1 ZINC000102258823 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Cl)cc2Cl)N=C(SCc2cccc(Cl)c2)N1 ZINC000102259874 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)cc2Cl)N=C(SCc2cccc(Cl)c2)N1 ZINC000102259878 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](C[C@H](O)C(C)(C)O)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102268581 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](C[C@@H](O)C(C)(C)O)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102268584 KK Annotated Mild C/C=C/CC(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@@H]1OC ZINC000102285363 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000102291965 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000102291970 KK Annotated Anodyne COc1cccc(OCC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c-3n2)c1 ZINC000102303491 KK Annotated Anodyne COc1ccc([C@@H]2c3c(ncn(CCCc4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000102307257 KK Annotated Anodyne C=C1[C@@H](OC(=O)CCCCc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000102308210 KK Annotated Mild CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C23CC4C[C@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1 ZINC000102309675 KK Annotated Reactive CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@@H](C4)C3)c1 ZINC000102309686 KK Annotated Reactive CCCCCC(=O)c1c(O)cc(OC)c(CC2=C(O)[C@@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c1O ZINC000102309776 KK Annotated Mild CCCCCC(=O)c1c(O)cc(OC)c(CC2=C(O)[C@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c1O ZINC000102309778 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@](C)(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C2=O ZINC000102314372 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000102319841 KK Annotated Reactive CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000102322327 KK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000102322330 KK Annotated Mild CCN(CC)c1ccc(/C=N\CC(C)(C)CNCCNCC(C)(C)C/N=C/c2ccc(N(CC)CC)cc2O)c(O)c1 ZINC000102334811 KK Annotated Mild O=C(c1ccccc1C(F)(F)F)N1CCOc2c(cc(-c3nc4ccccc4s3)cc2O[C@@H]2CCOC2)C1 ZINC000102348914 KK Annotated Anodyne O=C(c1ccccc1C(F)(F)F)N1CCOc2c(cc(-c3nc4ccccc4s3)cc2O[C@H]2CCOC2)C1 ZINC000102348918 KK Annotated Anodyne Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\CC(=O)CC(C)(C)C3)cc2)c(Br)c1 ZINC000102357464 KK Annotated Reactive O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000102365947 KK Annotated Bother O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000102365951 KK Annotated Bother O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000102365955 KK Annotated Bother O=C(O)CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(O)=C2[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000102365959 KK Annotated Bother COc1cccc([C@H]2c3c(ncn(-c4ccccc4Br)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102376250 KK Annotated Anodyne C=Cc1c2c(nc3cc(O)c([C@@H]4C[C@@]5(CC)CCCN6CCc7c(n4c4ccccc74)[C@H]65)cc13)N1CCC[C@](CC)(C2)C1 ZINC000102393083 KK Annotated Clean Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)C3C(=NO)C2[C@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000102393980 KK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)C3C(=NO)C2[C@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000102393982 KK Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)C3C(=NO)C2[C@@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000102393987 KK Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)C3C(=NO)C2[C@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000102393992 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)C2C(=NO)C1[C@H](c1ccccc1OCC)N[C@@H]2c1ccccc1OCC ZINC000102400528 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)C2C(=NO)C1[C@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000102400531 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)C2C(=NO)C1[C@@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000102400533 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)C2C(=NO)C1[C@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000102400536 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=NO)C2[C@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000102400538 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=NO)C2[C@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000102400540 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)C3C(=NO)C2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000102400543 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)C3C(=NO)C2[C@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000102400546 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3C(=NO)C2[C@H](c2ccc(CC)cc2)N[C@@H]3c2ccc(CC)cc2)cc1 ZINC000102403943 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3C(=NO)C2[C@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000102403946 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)C3C(=NO)C2[C@@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000102403949 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)C3C(=NO)C2[C@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000102403951 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@@H](c3ccc(C(C)C)cc3)C3C(=NO)C2[C@H](c2ccc(C(C)C)cc2)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000102404451 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@@H](c3ccc(C(C)C)cc3)C3C(=NO)C2[C@H](c2ccc(C(C)C)cc2)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000102404454 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@H](c3ccc(C(C)C)cc3)C3C(=NO)C2[C@@H](c2ccc(C(C)C)cc2)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000102404457 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@H](c3ccc(C(C)C)cc3)C3C(=NO)C2[C@H](c2ccc(C(C)C)cc2)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000102404459 KK Annotated Mild COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)C2C(=NO)C1[C@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000102404502 KK Annotated Mild COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)C2C(=NO)C1[C@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000102404505 KK Annotated Mild COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)C2C(=NO)C1[C@@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000102404506 KK Annotated Mild COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)C2C(=NO)C1[C@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000102404509 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C3C(=NO)C2[C@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102404514 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C3C(=NO)C2[C@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000102404516 KK Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)C3C(=NO)C2[C@@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000102404519 KK Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)C3C(=NO)C2[C@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000102404521 KK Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/CC/N=C/C2=C(O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)=C1O ZINC000102414175 KK Annotated Mild O=C(Nc1ccccc1)O[C@H]1/C(=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)N2CCC1CC2 ZINC000102417571 KK Annotated Anodyne O=C(Nc1ccccc1)O[C@@H]1/C(=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)N2CCC1CC2 ZINC000102417574 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccccc3c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](C)C2 ZINC000102505025 KK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102574378 KK Annotated Anodyne CN(C)c1ccc([C@@H](C#N)N2CCCN([C@@H](C#N)c3ccc(N(C)C)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000102585570 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000102596687 KK Annotated Anodyne COc1ccc([C@@H]2C=CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000102599722 KK Annotated Anodyne aggregator COc1ccc([C@H]2C=CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000102599724 KK Annotated Anodyne aggregator CCOC(=O)c1ccc(-n2cnc3c(c2=N)[C@H](c2cccc(OC)c2)c2c(ccc4ccccc24)O3)cc1 ZINC000102599784 KK Annotated Anodyne COc1ccc([C@@H]2C=CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1 ZINC000102612050 KK Annotated Anodyne aggregator COc1ccc([C@H]2C=CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1 ZINC000102612054 KK Annotated Anodyne aggregator CC(=O)[C@@](/N=N\c1ccccc1)(Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000102620648 KK Annotated Clean CC(=O)[C@](/N=N\c1ccccc1)(Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)Nc1ccccc1 ZINC000102620651 KK Annotated Clean CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC)[C@@H]1COC ZINC000102651569 KK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4cccc(Br)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000102675062 KK Annotated Anodyne CCOC(=O)/C=C(/NC(=O)Nc1ccc(Cl)cc1Cl)NN(C)c1ncc(C(F)(F)F)cc1Cl ZINC000102677451 KK Annotated Anodyne COC[C@@H]1[C@@H]2CC[C@H]3[C@@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC ZINC000102687881 KK Annotated Anodyne CO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000102689574 KK Annotated Mild CO/C(O)=C1/C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000102689578 KK Annotated Mild O=C(/N=N\c1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000102708339 KK Annotated Clean COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1OC ZINC000102726500 KK Annotated Anodyne COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)Nc2nc3ccccc3s2)c1OC ZINC000102726503 KK Annotated Anodyne CC(C)=CC[C@H](O)/C(C)=C/C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000102779958 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000102779961 KK Annotated Mild CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O ZINC000102780299 KK Annotated Mild CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC2=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O ZINC000102780302 KK Annotated Mild CCCC(=O)c1c(O)c2c(c(CC3=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C3=O)c1O)OC(C)(C)C=C2 ZINC000102780304 KK Annotated Mild CCCC(=O)c1c(O)c2c(c(CC3=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C3=O)c1O)OC(C)(C)C=C2 ZINC000102780307 KK Annotated Mild CCCC(=O)c1c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(C)C=C2 ZINC000102782247 KK Annotated Mild CCCC(=O)c1c(O)c(CC2=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(C)C=C2 ZINC000102782252 KK Annotated Mild CCCCCC(=O)c1c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(C)C=C2 ZINC000102782255 KK Annotated Mild CCCCCC(=O)c1c(O)c(CC2=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1OC(C)(C)C=C2 ZINC000102782260 KK Annotated Mild Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000102797557 KK Annotated Mild Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000102797563 KK Annotated Mild CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102797582 KK Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102797588 KK Annotated Anodyne COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000102799350 KK Annotated Anodyne COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000102799355 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000102801312 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000102801315 KK Annotated Anodyne COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@@](CCCCN2C(=O)c4ccccc4C2=O)(Cc2cc(OC)c(OC)cc21)O3 ZINC000102802864 KK Annotated Anodyne COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@](CCCCN2C(=O)c4ccccc4C2=O)(Cc2cc(OC)c(OC)cc21)O3 ZINC000102802870 KK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102806379 KK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102806385 KK Annotated Anodyne COc1cc(CCC(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806558 KK Annotated Anodyne COc1cc(C#CC(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806662 KK Annotated Mild COc1cc(C#CC(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806666 KK Annotated Mild COc1cc(C#CC(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806669 KK Annotated Mild COc1cc(CCC(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806974 KK Annotated Anodyne COc1cc(CCC(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806985 KK Annotated Anodyne COc1cc(CCC(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806991 KK Annotated Anodyne COc1cc(C#CC(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)c4cc(OC)c(OC)c(OC)c4)CC3)CC2)cc(OC)c1OC ZINC000102806995 KK Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccc(F)cc34)[C@@H]2O1 ZINC000102813308 KK Annotated Mild N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccc(F)cc34)[C@H]2O1 ZINC000102813312 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000102814555 KK Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000102814685 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000102814690 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3c(ccc4ccccc34)[C@H]2O1 ZINC000102816308 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)O[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3c(ccc4ccccc34)[C@@H]2O1 ZINC000102816311 KK Annotated Mild CCCC1=C(OC)C(CCC)(CCC)C(=O)/C(=C(O)\C=C\c2ccc(I)cc2)C1=O ZINC000102820500 KK Annotated Mild CCCOC1=C(CCC)C(=O)/C(=C(O)/C=C/c2ccc(I)cc2)C(=O)C1(CCC)CCC ZINC000102820932 KK Annotated Mild COc1ccc(CN2C(=O)/C(=N/c3cccc(CC(=O)O)c3)c3cc(Br)cc(Br)c32)cc1 ZINC000102822279 KK Annotated Mild CCCCCCN1C(=O)CN/C1=N\c1ccc2cc3ccc(/N=C4\NCC(=O)N4CCCCCC)cc3nc2c1 ZINC000102822895 KK Annotated Mild N#CC1=C(NC(=O)/C=C/c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000102824304 KK Annotated Reactive N#CC1=C(NC(=O)/C=C/c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000102824307 KK Annotated Reactive CC(C)CCC1=C/C(=C2\C(=O)c3ccccc3[C@@](C)(CCC(C)(C)C)C2=O)Nc2ccc(NS(C)(=O)=O)cc21 ZINC000102825348 KK Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)OC3=C(C(=O)OC4(CCCCC4)C3)[C@@H]2O1 ZINC000102832722 KK Annotated Mild N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)OC3=C(C(=O)OC4(CCCCC4)C3)[C@H]2O1 ZINC000102832727 KK Annotated Mild O=C1OC2(CCCCC2)CC2=C1[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102835875 KK Annotated Anodyne O=C1OC2(CCCCC2)CC2=C1[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000102835881 KK Annotated Anodyne N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3cc(-c4ccccc4)oc(=O)c3[C@H]2O1 ZINC000102835991 KK Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3cc(-c4ccccc4)oc(=O)c3[C@@H]2O1 ZINC000102835996 KK Annotated Mild COC(=O)[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2OC)C1(C)C ZINC000102836075 KK Annotated Mild COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2OC)C1(C)C ZINC000102836079 KK Annotated Mild CN1C[C@H](c2ccccc2)[C@](O)([C@]2(c3ccccc3)CN(C)C[C@@H](c3ccccc3)C2=O)[C@H](c2ccccc2)C1 ZINC000102839227 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1F ZINC000102839374 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1F ZINC000102839377 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1F ZINC000102839380 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@H]3C[C@@H]2[C@H]2[C@@H](C(=O)O)[C@H]32)cc1F ZINC000102839382 KK Annotated Anodyne COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@H](CC=C(C)C)C(C)(C)[C@]1(CC=C(C)C)C2=O ZINC000102842003 KK Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000102847584 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000102847588 KK Annotated Anodyne Cc1sc2ncnc(N3CCC(C(=O)N4C[C@H](C)S/C4=N/c4ccc(Cl)cc4)CC3)c2c1C ZINC000102847828 KK Annotated Mild Cc1sc2ncnc(N3CCC(C(=O)N4C[C@@H](C)S/C4=N/c4ccc(Cl)cc4)CC3)c2c1C ZINC000102847831 KK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000102851486 KK Annotated Mild O=C1C2=C(C(=O)c3ccccc31)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000102851490 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(-c3ccccc3)c(=O)c21 ZINC000102868321 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(-c3ccccc3)c(=O)c21 ZINC000102868326 KK Annotated Anodyne COC1=C(C(=O)c2ccccc2)C(=O)[C@@]2(CC=C(C)C)C[C@H](C(=O)OCC(F)(F)F)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000102870705 KK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@@]2(CC=C(C)C)C[C@@H](C(=O)OCC(F)(F)F)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000102870711 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCCC[C@@]12Cc3c(ccc4ccccc34)[C@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 ZINC000102872335 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCC[C@]12Cc3c(ccc4ccccc34)[C@@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 ZINC000102872341 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CC(C)(C)C2 ZINC000102874701 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CC(C)(C)C2 ZINC000102874703 KK Annotated Mild CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@@H]2[C@H]1[C@@H]1C[C@H](c3ccccc31)N2C(=O)OCc1ccccc1 ZINC000102882415 KK Annotated Anodyne CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@@H]2[C@H]1[C@H]1C[C@@H](c3ccccc31)N2C(=O)OCc1ccccc1 ZINC000102882418 KK Annotated Anodyne COC1=C(C(=O)c2ccccc2)C(=O)[C@@]2(CC=C(C)C)C[C@H](S(=O)(=O)c3ccccc3)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000102889033 KK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@@]2(CC=C(C)C)C[C@@H](S(=O)(=O)c3ccccc3)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000102889037 KK Annotated Mild C[C@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](C)/C=C/C[C@]4(C)C=C(CO)[C@H](C[C@@H](C)O)C[C@]45OC(=O)C(=C5O)C(=O)[C@@]23C)C1 ZINC000102889403 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C)C(=O)O ZINC000102891144 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccccc21 ZINC000102891789 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccccc21 ZINC000102891791 KK Annotated Anodyne Cc1cn(-c2cc(NC(=O)Nc3ccc(C4=Nc5cnn(Cc6ccccc6)c5NC(=O)C4)cc3)cc(C(F)(F)F)c2)cn1 ZINC000102894971 KK Annotated Anodyne COc1cc([C@H]2[C@H](c3ccc4ccccc4c3)[C@H](c3cc(OC)cc(=O)o3)[C@H]2c2ccc3ccccc3c2)oc(=O)c1 ZINC000102895803 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3CCC[C@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102897637 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3CCC[C@@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102897638 KK Annotated Mild c1ccc(-c2cs/c(=N\N=C3[C@@H]4CCC[C@@H]3[C@H](c3ccccc3)N[C@@H]4c3ccccc3)n2-c2ccccc2)cc1 ZINC000102897639 KK Annotated Mild c1ccc(-c2cs/c(=N\N=C3[C@H]4CCC[C@H]3[C@H](c3ccccc3)N[C@@H]4c3ccccc3)n2-c2ccccc2)cc1 ZINC000102897644 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000102897647 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3CCC[C@@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000102897650 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@H]3CCC[C@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000102898122 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@@H]3CCC[C@@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000102898125 KK Annotated Mild CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@@H](C3)C3(OOC6(CCCCC6)O3)[C@@H](C5)C4)cccc12 ZINC000102899281 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@H](C3)C3(OOC6(CCCCC6)O3)[C@H](C5)C4)cccc12 ZINC000102899284 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@@H](C3)C3(OCC6(CCCCC6)O3)[C@@H](C5)C4)cccc12 ZINC000102899285 KK Annotated Mild CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@H](C3)C3(OCC6(CCCCC6)O3)[C@H](C5)C4)cccc12 ZINC000102899288 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000102904547 KK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@H]3CCC[C@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102906059 KK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3CCC[C@@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102906061 KK Annotated Mild Clc1ccccc1[C@H]1N[C@@H](c2ccccc2Cl)[C@H]2CCC[C@H]1C2=NNc1nc(-c2ccccc2)cs1 ZINC000102906064 KK Annotated Mild Clc1ccccc1[C@H]1N[C@@H](c2ccccc2Cl)[C@@H]2CCC[C@@H]1C2=NNc1nc(-c2ccccc2)cs1 ZINC000102906066 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102906612 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3CCC[C@@H]2C3=NNc2nc(-c3ccccc3)cs2)cc1 ZINC000102906613 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@H]3CCC[C@H]2C3=NNc2nc(-c3ccccc3)cs2)c1 ZINC000102906615 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@@H]3CCC[C@@H]2C3=NNc2nc(-c3ccccc3)cs2)c1 ZINC000102906618 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@]1(/C=C\[C@@]34O[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)O[C@@]1(C)CC2 ZINC000102906719 KK Annotated Anodyne Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@H]3CCC[C@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000102906854 KK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3CCC[C@@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000102906856 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000102907158 KK Annotated Mild COC(=O)[C@@]12CCC(C)=C(/C=C\C3=C(C)CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]34C)[C@@H]1CC(C)(C)CC2 ZINC000102907550 KK Annotated Anodyne COc1cccc(N2CCN(C(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]3CC[C@H](C/C=C(C)/C=C/[C@@H]4C[C@]5(CO5)CC(C)(C)O4)CC3)CC2)c1 ZINC000102908137 KK Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/Cc3ccccc3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102909740 KK Annotated Mild O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)[C@H]1N(C(=O)c1ccnc2ccccc12)c1ccccc1 ZINC000102910806 KK Annotated Anodyne O=C1Nc2ccccc2N=C(c2ccc3c(c2)OCO3)[C@@H]1N(C(=O)c1ccnc2ccccc12)c1ccccc1 ZINC000102910808 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000102913168 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000102913170 KK Annotated Anodyne C=C(C[C@@]1(C(=O)OC)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@@](CC=C(C)C)(C1)C2=O)C(=O)OC ZINC000102914988 KK Annotated Mild COc1ccc(Cc2c(-c3ccc(C)cc3)n[nH]c(=O)c2[C@@H]2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000102915789 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000102920961 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(O)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102921311 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(O)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102921314 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(O)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102921318 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(O)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102921321 KK Annotated Reactive O=C(C1=NN(c2ccccc2)[C@H]2[C@H]3N(c4ccccc4)N=C(C(=O)c4ccccc4)N3c3ccccc3N12)c1ccccc1 ZINC000102922182 KK Annotated Anodyne COC1=C[C@@H]2[C@H](c3cc4ccccc4n3S(=O)(=O)c3ccccc3)C[C@@H]1CN2C(=O)OCc1ccccc1 ZINC000102922795 KK Annotated Anodyne COC1=C[C@@H]2[C@@H](c3cc4ccccc4n3S(=O)(=O)c3ccccc3)C[C@@H]1CN2C(=O)OCc1ccccc1 ZINC000102922797 KK Annotated Anodyne CC(C)CCN(Cc1ccc([C@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000102928431 KK Annotated Anodyne CC(C)CCN(Cc1ccc([C@@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000102928433 KK Annotated Anodyne CC(C)CCN(Cc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)nc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000102928808 KK Annotated Anodyne CCN1CC2=C(N=C3SC=CN3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929150 KK Annotated Anodyne CCN1CC2=C(N=C3SC=CN3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929152 KK Annotated Anodyne CCN1CC2=C(N=C3SC=C(C)N3[C@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929155 KK Annotated Anodyne CCN1CC2=C(N=C3SC=C(C)N3[C@@H]2c2ccc(OC)c(OC)c2)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000102929157 KK Annotated Anodyne COc1cc(/C=C2\CCCC3=C2N=C2SC=CN2[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000102931151 KK Annotated Anodyne COc1cc(/C=C2\CCCC3=C2N=C2SC=CN2[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000102931156 KK Annotated Anodyne COc1cc(/C=C2\CCCC3=C2N=C2SC=C(C)N2[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000102931159 KK Annotated Anodyne COc1cc(/C=C2\CCCC3=C2N=C2SC=C(C)N2[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000102931161 KK Annotated Anodyne c1cc2ssc3ccc(ssc4ccc(ssc5ccc(ssc1s2)s5)s4)s3 ZINC000102932612 KK Annotated Bother COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000102934119 KK Annotated Reactive COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000102934121 KK Annotated Reactive COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000102934122 KK Annotated Reactive COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O ZINC000102934125 KK Annotated Reactive CN1[C@@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@@]1(c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000102934870 KK Annotated Anodyne O=C(CNc1c(Cl)cccc1Cl)N[C@H]1C=Cc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2C1=O ZINC000102935230 KK Annotated Anodyne CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](OC(C)=O)[C@H](C)CC[C@@H]12 ZINC000102935423 KK Annotated Mild C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102935906 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000102935908 KK Annotated Bother CC1(C)CC(=O)C(=CNc2cc(C(=O)c3ccccc3)ccc2/N=C/C2=C(O)CC(C)(C)CC2=O)C(=O)C1 ZINC000102936168 KK Annotated Mild O=C1C=CC(S(=O)(=O)C2=C/C(=C/Nc3ccc(Cl)cc3)C(=O)C=C2)=C/C1=C/Nc1ccc(Cl)cc1 ZINC000102936705 KK Annotated Mild CC1CCCOc2ccc(cc2)/C=N\c2ccc(cc2)CCc2ccc(cc2)/N=C\c2ccc(cc2)OCCC1 ZINC000102937745 KK Annotated Anodyne CN1c2ccccc2C2=C(c3ccccc3)CC[C@@H](C(=O)N3[C@@H]4C[C@H]5CC[C@@]4(CS3(=O)=O)C5(C)C)[C@@H]21 ZINC000102937963 KK Annotated Anodyne CN1c2ccccc2C2=C(c3ccccc3)CC[C@@H](C(=O)N3[C@H]4C[C@H]5CC[C@@]4(CS3(=O)=O)C5(C)C)[C@@H]21 ZINC000102937966 KK Annotated Anodyne COc1cc(Br)c(/C=N\c2cccc3ccc(OS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1OC ZINC000102938346 KK Annotated Mild COc1ccc(N[C@H](/C(C(=O)c2ccccc2)=C(\O)C(=O)/C=C(\O)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000102938570 KK Annotated Mild COc1ccc(N[C@@H](/C(C(=O)c2ccccc2)=C(\O)C(=O)/C=C(\O)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000102938572 KK Annotated Mild COC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=C[C@H]1c1ccc(OC)cc1OC ZINC000102939294 KK Annotated Bother Cc1[nH]n(-c2ccccc2)c(=O)c1C(N(CCc1ccccc1)C1=NC[C@H](C)S1)(C(F)(F)F)C(F)(F)F ZINC000102939849 KK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1C(N(CCc1ccccc1)C1=NC[C@@H](C)S1)(C(F)(F)F)C(F)(F)F ZINC000102939850 KK Annotated Anodyne O=C(CC(=O)Nc1ccccc1Cl)NN[C@@H](c1cc(/N=N/c2ccc(Br)cc2)ccc1O)P(O)O ZINC000102939993 KK Annotated Reactive O=C(CC(=O)Nc1ccccc1Cl)NN[C@H](c1cc(/N=N/c2ccc(Br)cc2)ccc1O)P(O)O ZINC000102939997 KK Annotated Reactive O=c1c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c(O)c2ccccc2n1-c1ccccc1 ZINC000102940061 KK Annotated Bother O=[N+]([O-])c1ccc(SN=S=NSc2cccc(SN=S=NSc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000102940308 KK Annotated Bother CCOC(=O)C(=CNc1ccc(N(C2=NC[C@H](C)S2)c2ccc(F)c(Cl)c2)cc1)C(=O)OCC ZINC000102941798 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc(N(C2=NC[C@@H](C)S2)c2ccc(F)c(Cl)c2)cc1)C(=O)OCC ZINC000102941800 KK Annotated Anodyne c1ccc(COC[C@H]2[C@H]3OC[C@@H]([C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)N2Cc2ccccc2)cc1 ZINC000102943279 KK Annotated Anodyne Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5)cc4)C4C[C@@H]5C6CC7C[C@@H]5C3[C@@H](C7)[C@@H]6C4)cc2)cc1O ZINC000102944204 KK Annotated Anodyne Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5)cc4)C4C[C@H]5C6CC7C[C@@H]5C3[C@@H](C7)[C@@H]6C4)cc2)cc1O ZINC000102944207 KK Annotated Anodyne Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5)cc4)C4C[C@@H]5C6CC7C[C@@H]5C3[C@H](C7)[C@@H]6C4)cc2)cc1O ZINC000102944211 KK Annotated Anodyne O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@@H](C(=O)/C=C/c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102944635 KK Annotated Mild O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)[C@H](C(=O)/C=C/c1ccccc1)[C@@H]1OC(=O)c2ccccc21 ZINC000102944639 KK Annotated Mild CC[C@@H](c1cc(F)c(F)c(F)c1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2 ZINC000102944708 KK Annotated Anodyne COc1cc(-c2nnc3n([C@@H](CCS(C)(=O)=O)c4ccc(F)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945178 KK Annotated Anodyne COc1cc(-c2nnc3n([C@H](CCS(C)(=O)=O)c4ccc(F)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1 ZINC000102945180 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](Oc3ccccc3)[C@@H](C)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000102945570 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](Oc3ccccc3)[C@@H]2/C=C/1C ZINC000102945572 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](Oc3ccccc3)[C@@H](C)C[C@@]21O ZINC000102945574 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@H](C)[C@H](Oc3ccccc3)[C@@H]2/C=C/1C ZINC000102945577 KK Annotated Anodyne COc1ccc(COCc2cc3c(-c4ccc(-n5cnc(C)c5)c(OC)c4)nnc-3n([C@@H](C)c3ccc(F)cc3)c2)cc1 ZINC000102945769 KK Annotated Anodyne O=[S@@]1c2ccc(Cl)cc2C[C@@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 ZINC000102946253 KK Annotated Reactive O=[S@@]1c2ccc(Cl)cc2C[C@@H](SS[C@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 ZINC000102946255 KK Annotated Reactive O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@@](=O)c3ccccc32)c2ccccc21 ZINC000102946258 KK Annotated Reactive Cc1ccc(C(c2c(O)c3ccccc3n(-c3ccccc3)c2=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1 ZINC000102949004 KK Annotated Anodyne Oc1ccccc1/C=N/N1C(=S)N(C23CC4CC(CC(C4)C2)C3)C(=N\c2ccccc2)/C1=N/c1ccccc1 ZINC000102949089 KK Annotated Mild CN1C(=N\S(=O)(=O)c2ccc(Cl)cc2)/C(=N/N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000102952166 KK Annotated Reactive CCn1c2ccccc2c2ccc([C@@H]3[C@@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@H]4ON3[C@H](C(N)=O)c3ccccc3)cc21 ZINC000102952173 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102952541 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102952543 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102952546 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102952548 KK Annotated Reactive N#C[C@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCC1 ZINC000102953614 KK Annotated Mild N#C[C@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@H](c1ccccc1)NC1=C2CCC1 ZINC000102953617 KK Annotated Anodyne N#C[C@]12C3=N[C@H](c4ccccc4)N[C@H](c4ccccc4)N3C(=O)[C@]1(C#N)C1=C(CCC1)N[C@@H]2c1ccccc1 ZINC000102953620 KK Annotated Anodyne N#C[C@]12C3=N[C@H](c4ccccc4)N[C@H](c4ccccc4)N3C(=O)[C@]1(C#N)C1=C(CCC1)N[C@H]2c1ccccc1 ZINC000102953622 KK Annotated Anodyne NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000102953850 KK Annotated Anodyne NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000102953852 KK Annotated Anodyne Nc1ccc(Oc2ccc(C34CC5C[C@@H]6[C@@H]3CC3C[C@@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)c(O)c5)cc4)C3)cc2)cc1O ZINC000102956266 KK Annotated Anodyne Nc1ccc(Oc2ccc(C34CC5C[C@@H]6[C@H]3CC3C[C@@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)c(O)c5)cc4)C3)cc2)cc1O ZINC000102956271 KK Annotated Anodyne COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000102957175 KK Annotated Reactive COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000102957177 KK Annotated Reactive COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000102957178 KK Annotated Reactive COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000102957179 KK Annotated Reactive Cc1c2ccccc2c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2Cc2ccc(CC(N)=O)cc2)c2ccccc12 ZINC000102958034 KK Annotated Anodyne COc1cc(Br)c(/C=N\c2cccc3ccc(OS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)cc1OC ZINC000102959979 KK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/C=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102960219 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/C=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102960221 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/C=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102960223 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/C=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102960226 KK Annotated Reactive COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000102962444 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)CC/C(C)=C/CC2 ZINC000102962449 KK Annotated Anodyne COc1ccc(C)cc1N1C(=O)[C@H]2ON(Cc3ccc(CC(N)=O)cc3)[C@@H](c3c4ccccc4c(Cl)c4ccccc34)[C@@H]2C1=O ZINC000102963419 KK Annotated Bother C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000102963765 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000102963767 KK Annotated Mild O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000102963919 KK Annotated Clean O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000102963922 KK Annotated Clean O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000102963926 KK Annotated Clean COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)CNC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000102964477 KK Annotated Anodyne c1ccc(NP2(Nc3ccccc3)=N[P@]34=N[P@]5(=N2)NCCCN5CCCCN3CCCN4)cc1 ZINC000102964488 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)CN(C(=O)C#CC(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)C/C1=C\c1ccccc1 ZINC000102968162 KK Annotated Mild Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4C[C@@H]5C6CC7C[C@@H]5C3[C@@H](C7)[C@@H]6C4)cc2)cc1 ZINC000102969199 KK Annotated Clean Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4C[C@H]5C6CC7C[C@@H]5C3[C@@H](C7)[C@@H]6C4)cc2)cc1 ZINC000102969202 KK Annotated Clean Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4C[C@@H]5C6CC7C[C@@H]5C3[C@H](C7)[C@@H]6C4)cc2)cc1 ZINC000102969204 KK Annotated Clean COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1cccc([N+](=O)[O-])c1)C2 ZINC000102971691 KK Annotated Bother Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000102972255 KK Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000102972256 KK Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000102972258 KK Annotated Anodyne O=C1C=C(NCCCCCCCCCC[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C(=O)c2ccccc21 ZINC000102973119 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O ZINC000102973301 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000102974316 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCC1)CC/C(C)=C/CC2 ZINC000102974318 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](C)NC(C)=O)CC/C(C)=C/CC2 ZINC000102974321 KK Annotated Anodyne O=C1C=C(NCCCCCCCCCC[P+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc21 ZINC000102974603 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000102974657 KK Annotated Anodyne O=C1C=C(NCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000102974823 KK Annotated Reactive O=C1C=C(NCCCCCCCCCC[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)c2ccccc21 ZINC000102976456 KK Annotated Reactive Cc1c2ccccc2c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2[C@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000102978027 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000102979240 KK Annotated Anodyne BrC1=CC=C2NCCCCCC/N=C3\C=CC(Br)=CC=C3NCCCCCC/N=C\2C=C1 ZINC000102980744 KK Annotated Clean Nc1ccc(Oc2ccc(C34CC5C[C@@H]6[C@@H]3CC3C[C@@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)cc5)cc4)C3)cc2)cc1 ZINC000102984314 KK Annotated Clean Nc1ccc(Oc2ccc(C34CC5C[C@@H]6[C@H]3CC3C[C@@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)cc5)cc4)C3)cc2)cc1 ZINC000102984321 KK Annotated Clean COc1ccc(C(=O)N=C2N(c3ccccc3)C(=N/c3ccccc3)/C(=N\c3ccccc3)N2c2ccccc2)cc1 ZINC000102984633 KK Annotated Mild COC1=C(C(=O)OC(C)(C)C)[C@@]23CCCC[C@]2(C(C(=O)OC(C)(C)C)=C(OC)[C@@H]3C(=O)OC(C)(C)C)[C@@H]1C(=O)OC(C)(C)C ZINC000102984835 KK Annotated Anodyne O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2)[C@@H](Br)C(=O)c1ccccc1 ZINC000102985097 KK Annotated Reactive O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2)[C@H](Br)C(=O)c1ccccc1 ZINC000102985098 KK Annotated Reactive COc1ccc([C@H]2C=CCN(S(=O)(=O)/C=C\c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000102985975 KK Annotated Anodyne O=C1c2ccccc2C(=O)[C@H]2NC(CCCCCSSCCCCCC3=N[C@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 ZINC000102986000 KK Annotated Reactive O=C1c2ccccc2C(=O)[C@@H]2NC(CCCCCSSCCCCCC3=N[C@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 ZINC000102986002 KK Annotated Reactive c1ccc(/N=C2C(=N/c3ccccc3)\N(C3CCCCC3)/C(=N\C3CCCCC3)N\2c2ccccc2)cc1 ZINC000102986199 KK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1cccs1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102986244 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1cccs1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102986245 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1cccs1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102986248 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1cccs1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000102986250 KK Annotated Reactive CC1=CSC2=NC(/C=C/c3ccccc3Cl)=C(C(=O)/C=C/c3ccccc3Cl)[C@H](c3ccccc3)N12 ZINC000102988532 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccccc3Cl)=C(C(=O)/C=C/c3ccccc3Cl)[C@@H](c3ccccc3)N12 ZINC000102988534 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Br)cc3)=C(C(=O)/C=C/c3ccc(Br)cc3)[C@H](c3ccccc3)N12 ZINC000102988537 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Br)cc3)=C(C(=O)/C=C/c3ccc(Br)cc3)[C@@H](c3ccccc3)N12 ZINC000102988539 KK Annotated Mild COc1ccc(/C=C/C(=O)C2=C(/C=C/c3ccc(OC)cc3)N=C3SC=C(C)N3[C@H]2c2ccccc2)cc1 ZINC000102988891 KK Annotated Mild COc1ccc(/C=C/C(=O)C2=C(/C=C/c3ccc(OC)cc3)N=C3SC=C(C)N3[C@@H]2c2ccccc2)cc1 ZINC000102988894 KK Annotated Mild COc1ccc([C@H]2C(C(=O)/C=C/c3ccc(Cl)cc3)=C(/C=C/c3ccc(Cl)cc3)N=C3SC=C(C)N32)cc1 ZINC000102989287 KK Annotated Mild COc1ccc([C@@H]2C(C(=O)/C=C/c3ccc(Cl)cc3)=C(/C=C/c3ccc(Cl)cc3)N=C3SC=C(C)N32)cc1 ZINC000102989291 KK Annotated Mild COc1ccc([C@H]2C(C(=O)/C=C/c3cccs3)=C(/C=C/c3cccs3)N=C3SC=C(C)N32)cc1 ZINC000102991046 KK Annotated Mild COc1ccc([C@@H]2C(C(=O)/C=C/c3cccs3)=C(/C=C/c3cccs3)N=C3SC=C(C)N32)cc1 ZINC000102991050 KK Annotated Mild CC(C)=CCC1=C(O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C2=O ZINC000102994959 KK Annotated Mild CC(C)=CCC1=C(O)[C@]2(CC=C(C)C)C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C2=O ZINC000102994963 KK Annotated Mild CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000102997148 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000103003000 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc4c(c3)OCO4)=C(C(=O)/C=C/c3ccc4c(c3)OCO4)[C@H](c3ccccc3)N12 ZINC000103004670 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc4c(c3)OCO4)=C(C(=O)/C=C/c3ccc4c(c3)OCO4)[C@@H](c3ccccc3)N12 ZINC000103004673 KK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C=C(N7CCOCC7)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000103005088 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccccc3Cl)=C(C(=O)/C=C/c3ccccc3Cl)[C@H](c3ccc(Cl)cc3)N12 ZINC000103006697 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccccc3Cl)=C(C(=O)/C=C/c3ccccc3Cl)[C@@H](c3ccc(Cl)cc3)N12 ZINC000103006699 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Cl)cc3)=C(C(=O)/C=C/c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000103007153 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Cl)cc3)=C(C(=O)/C=C/c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000103007156 KK Annotated Mild COc1ccc([C@H]2C(C(=O)/C=C/c3ccc(F)cc3)=C(/C=C/c3ccc(F)cc3)N=C3SC=C(C)N32)cc1 ZINC000103007558 KK Annotated Mild COc1ccc([C@@H]2C(C(=O)/C=C/c3ccc(F)cc3)=C(/C=C/c3ccc(F)cc3)N=C3SC=C(C)N32)cc1 ZINC000103007561 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Cl)cc3)=C(C(=O)/C=C/c3ccc(Cl)cc3)[C@H](c3ccccc3)N12 ZINC000103007945 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Cl)cc3)=C(C(=O)/C=C/c3ccc(Cl)cc3)[C@@H](c3ccccc3)N12 ZINC000103007947 KK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C/C=C\c1ccccc1 ZINC000103009577 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C/C=C\c1ccccc1 ZINC000103009580 KK Annotated Anodyne CC(C)(C)OC(=O)C1=C(O)[C@H](C(=O)OC(C)(C)C)[C@]23CCCC[C@@]12[C@H](C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C ZINC000103009957 KK Annotated Anodyne CC(C)(C)OC(=O)C1=C(O)[C@H](C(=O)OC(C)(C)C)[C@]23CCCC[C@@]12[C@@H](C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C ZINC000103009959 KK Annotated Anodyne COc1cc(Br)c(C[C@]2(C#N)c3ccccc3[C@H]3[C@H](N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC ZINC000103011134 KK Annotated Anodyne CC(C)=CCC1=C(O)[C@@]2(C(=O)c3ccccc3)C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C2=O ZINC000103011343 KK Annotated Mild CC(C)=CCC1=C(O)[C@@]2(C(=O)c3ccccc3)C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C2=O ZINC000103011346 KK Annotated Mild CC(C)=CCC1=C(O)[C@]2(C(=O)c3ccccc3)C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C2=O ZINC000103011349 KK Annotated Mild CC(C)=CCC1=C(O)[C@]2(C(=O)c3ccccc3)C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C2=O ZINC000103011352 KK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(N(C)C)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000103011666 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(N(C)C)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000103011671 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(N(C)C)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000103011676 KK Annotated Reactive CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(N(C)C)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000103011682 KK Annotated Reactive N#C[C@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCCC1 ZINC000103014212 KK Annotated Mild N#C[C@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@H](c1ccccc1)NC1=C2CCCC1 ZINC000103014214 KK Annotated Mild N#C[C@]12C3=N[C@H](c4ccccc4)N[C@H](c4ccccc4)N3C(=O)[C@]1(C#N)C1=C(CCCC1)N[C@@H]2c1ccccc1 ZINC000103014216 KK Annotated Mild N#C[C@]12C3=N[C@H](c4ccccc4)N[C@H](c4ccccc4)N3C(=O)[C@]1(C#N)C1=C(CCCC1)N[C@H]2c1ccccc1 ZINC000103014218 KK Annotated Mild COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23SCC(=O)N3c2nc3ccccc3s2)ccc1O ZINC000103014955 KK Annotated Anodyne COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23SCC(=O)N3c2nc3ccccc3s2)ccc1O ZINC000103014958 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3ON(Cc4ccc(CC(N)=O)cc4)[C@@H](c4c5ccccc5c(C)c5ccccc45)[C@@H]3C2=O)cc1 ZINC000103015315 KK Annotated Bother O=C1Nc2ccc(Br)cc2[C@H]1n1nc(-c2ccc3ccccc3c2)cc1-c1ccc(Cl)cc1 ZINC000103021917 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)C=C[C@@]3(C)O)c(OC)c2)ccc1O ZINC000103023630 KK Annotated Mild COc1c(NC(=O)[C@@H]2CC[C@@H](COc3cccc(F)c3F)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000103023646 KK Annotated Anodyne COc1c(NC(=O)[C@@H]2CC[C@H](COc3cccc(F)c3F)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000103025306 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@]3(C)C=C[C@@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]3O)cc2)ccc1O ZINC000103025621 KK Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC(=O)[C@@H]3CC[C@H](COc4cccc(F)c4F)CC3)c(F)c21 ZINC000103025882 KK Annotated Anodyne Cc1cccc(C)c1OC[C@H]1CC[C@@H](C(=O)Nc2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC1 ZINC000103025894 KK Annotated Anodyne C=C(C)CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)C[C@@]1(C)[C@]2(O)/C(=C(/O)c1ccccc1)C3=O ZINC000103026082 KK Annotated Mild C=C(C)CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)C[C@@]1(C)[C@@]2(O)/C(=C(/O)c1ccccc1)C3=O ZINC000103026084 KK Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC(=O)[C@@H]3CC[C@H](COc4c(C)cccc4C)CC3)c(F)c21 ZINC000103026209 KK Annotated Anodyne C=C(C)CC[C@@H]1C[C@]23C[C@H]4C(C)(C)c5ccccc5C(=O)[C@]45C(=O)[C@@](CC=C(C)C)(C[C@@]1(C)[C@@]25O)C3=O ZINC000103026522 KK Annotated Mild C=C(C)CC[C@@H]1C[C@]23C[C@H]4C(C)(C)c5ccccc5C(=O)[C@@]45C(=O)[C@@](CC=C(C)C)(C[C@@]1(C)[C@@]25O)C3=O ZINC000103026525 KK Annotated Mild C=C(C)CC[C@@H]1C[C@]23C[C@@H]4C(C)(C)c5ccccc5C(=O)[C@]45C(=O)[C@@](CC=C(C)C)(C[C@@]1(C)[C@@]25O)C3=O ZINC000103026530 KK Annotated Mild C=C(C)CC[C@@H]1C[C@]23C[C@@H]4C(C)(C)c5ccccc5C(=O)[C@@]45C(=O)[C@@](CC=C(C)C)(C[C@@]1(C)[C@@]25O)C3=O ZINC000103026533 KK Annotated Mild C=C(C)CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)/C(=C(\O)c3ccccc3)C(=O)[C@]3(CC=C(C)C)C[C@@]1(C)O[C@]23O ZINC000103026547 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@]3(C)C=C[C@@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]3O)c(OC)c2)ccc1O ZINC000103026650 KK Annotated Mild C/C=C(C)/C=C(\C)[C@@H](O)[C@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000103026914 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000103026916 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000103026919 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C\[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000103026921 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@H]3C[C@H]([C@@H](C)CC(=O)C=C(C)C)C=C[C@@]3(C)O)c(OC)c2)ccc1O ZINC000103027237 KK Annotated Mild CC(C)=CC(=O)C[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1Oc1ccc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000103028113 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@]3(C)C=C[C@@H]([C@@H](C)CCC=C(C)C)C[C@@H]3O)c(OC)c2)ccc1O ZINC000103028614 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@@H](O)C=C3C)c(OC)c2)ccc1O ZINC000103028923 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@H]3[C@@H](C)CC(=O)C=C(C)C)c2)ccc1O ZINC000103029402 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O[C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CCC=C(C)C)c(OC)c2)ccc1O ZINC000103030688 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(O)cc2)ccc1O[C@H]1C=C(C)[C@@H](O)C[C@@H]1[C@@H](C)CC(=O)C=C(C)C ZINC000103031297 KK Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC(=O)[C@@H]3CC[C@@H](COc4c(C)cccc4C)CC3)c(F)c21 ZINC000103031458 KK Annotated Anodyne Cc1cccc(C)c1OC[C@@H]1CC[C@@H](C(=O)Nc2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC1 ZINC000103032192 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(NC(=O)[C@@H]3CC[C@@H](COc4cccc(F)c4F)CC3)c(F)c21 ZINC000103032277 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2cc(OC)c(O)c([C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CCC=C(C)C)c2)ccc1O ZINC000103032279 KK Annotated Mild CCCC[C@@]12O[C@]34CCCC=C3C(=O)O[C@@]43[C@H](CCC)[C@@H]4C=C(C(=O)N1[C@@H](C)c1ccccc1)[C@@]23CC4 ZINC000103036993 KK Annotated Anodyne CCCC[C@]12O[C@@]34CCCC=C3C(=O)O[C@]43[C@@H](CCC)[C@H]4C=C(C(=O)N1[C@@H](C)c1ccccc1)[C@@]32CC4 ZINC000103037421 KK Annotated Anodyne CC(=O)Nc1nc2c(s1)-c1c(c(C3CC3)nn1C1CCC(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)CC3)CC1)CC2 ZINC000103043158 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccc2[nH]c(C)nc2c1 ZINC000103043877 KK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1ccc2[nH]c(C)nc2c1 ZINC000103043881 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103044527 KK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103044531 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000103045465 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1ccccc1 ZINC000103045470 KK Annotated Anodyne CCOC(=O)c1nc2ccc(C)cc2c2c1[C@@H]1C[C@H](c3c(Cl)cccc31)N2C(=O)OCc1ccccc1 ZINC000103046970 KK Annotated Anodyne CCOC(=O)c1nc2ccc(C)cc2c2c1[C@H]1C[C@@H](c3c(Cl)cccc31)N2C(=O)OCc1ccccc1 ZINC000103046973 KK Annotated Anodyne O=C(NC1CCCC1)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cc2ccccc2[nH]1 ZINC000103051920 KK Annotated Anodyne O=C(NC1CCCC1)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cc2ccccc2[nH]1 ZINC000103051923 KK Annotated Anodyne COc1ccc(CCC(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@H]2C(=O)NC(C)(C)C)cc1 ZINC000103051944 KK Annotated Anodyne COc1ccc(CCC(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC(C)(C)C)cc1 ZINC000103051947 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103052481 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103052485 KK Annotated Anodyne CC(C)NC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103053360 KK Annotated Anodyne CC(C)NC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103053363 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2)cc1 ZINC000103053854 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3cc(Cl)cc(Cl)c3)[C@H]2C(=O)NCc2ccccc2)cc1 ZINC000103053857 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1ccccn1 ZINC000103053987 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1ccccn1 ZINC000103053988 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103055778 KK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103055782 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(N3CCN(C(=S)NCCc4ccccc4)CC3)ccc12 ZINC000103056220 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(N3CCN(C(=S)NCCc4ccccc4)CC3)ccc12 ZINC000103056227 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000103056781 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000103056784 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103059262 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103059265 KK Annotated Anodyne COc1ccc(NC(=S)N2CCN(c3ccc4c(c3)[C@@H]3CCN(C(=O)OCc5ccccc5)[C@@H]4C3)CC2)c(OC)c1 ZINC000103059842 KK Annotated Clean COc1ccc(NC(=S)N2CCN(c3ccc4c(c3)[C@H]3CCN(C(=O)OCc5ccccc5)[C@H]4C3)CC2)c(OC)c1 ZINC000103059850 KK Annotated Clean CC(C)NC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103059955 KK Annotated Anodyne CC(C)NC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103059958 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@@H]2N(C(=O)c2cc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000103060015 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3NC(=O)[C@H]2N(C(=O)c2cc3ccccc3[nH]2)c2ccccc2)cc1 ZINC000103060018 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000103061498 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C(F)(F)F)cc3)[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000103061501 KK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(Br)c3cccnc23)CC1 ZINC000103063789 KK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCOCCOCC[18F])c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000103069288 KK Annotated Bother CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCOCC[18F])c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000103072277 KK Annotated Bother CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCC[18F])c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000103073092 KK Annotated Bother COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H]1CCCN1C(=O)OC1CC(C)(C)N([O])C(C)(C)C1 ZINC000103077506 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(C)C ZINC000103078718 KK Annotated Anodyne CC1=C[C@]2(C)C(=C(C)[C@H]3[C@H]4[C@@H]2/C(O)=C2\C(=O)N[C@@](O)(Cc5ccc(cc5)O[C@@H]4[C@@H]4[C@@H](C)C[C@@H](C)C[C@@H]34)[C@H]2O)[C@@H]1C ZINC000103080875 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)Nc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC ZINC000103081359 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](CCSC)NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1 ZINC000103082562 KK Annotated Anodyne CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3COC(=O)c3ccccc3)[C@]14O2 ZINC000103084546 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4COCCc1ccccc1)C2=O ZINC000103085133 KK Annotated Mild O=C1C(Nc2ccccc2C(F)(F)F)=C(Nc2ccccc2C(F)(F)F)C(=O)c2c1cccc2[N+](=O)[O-] ZINC000103086637 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4CN(C(C)C)C(C)C)C2=O ZINC000103087194 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4COC(=O)c1ccccc1)C2=O ZINC000103088934 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC(=O)[C@@H]3[C@H]4c1ccccc1)C2=O ZINC000103089319 KK Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3COCc3ccccc3)[C@]14O2 ZINC000103090459 KK Annotated Mild C/C1=C\CC[C@]2(C)[C@@H]3C(=O)C(=O)[C@@H](C=C3/C=C/C[C@@]3(C)CC[C@H]4C3=C[C@H](C(C)(C)O)CC[C@H]4C)[C@H]2[C@H]2[C@H](CC1)C2(C)C ZINC000103092037 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3COCCc3ccccc3)[C@]14O2 ZINC000103092203 KK Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3CN(C(C)C)C(C)C)[C@]14O2 ZINC000103092404 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4COC(=O)Cc1ccccc1)C2=O ZINC000103092658 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4COC(=O)/C=C/c1ccccc1)C2=O ZINC000103093236 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC[C@H](O)CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000103093787 KK Annotated Anodyne CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4COCc1ccccc1)C2=O ZINC000103093953 KK Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3COC(=O)Cc3ccccc3)[C@]14O2 ZINC000103094040 KK Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3COC(=O)/C=C/c3ccccc3)[C@]14O2 ZINC000103094176 KK Annotated Mild CC(C)=CCc1c(O)cc2c(c1O)C(=O)C1=C[C@H]3C(=O)[C@@]4(CC=C(C)C)OC[C@H]([C@H]3CN3CCN(c5ccccc5)CC3)[C@]14O2 ZINC000103096222 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@H]4C(=O)[C@@]1(CC=C(C)C)OC[C@@H]3[C@H]4CN1CCN(c3ccccc3)CC1)C2=O ZINC000103096538 KK Annotated Mild CC(=O)O[C@]12C[C@H](C)[C@H](OS(=O)(=O)c3ccccc3)[C@@H]1/C=C(\C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000103101477 KK Annotated Mild CC(=O)O[C@]12C[C@H](C)[C@H](OC(=O)c3cccc(C(F)(F)F)c3)[C@@H]1/C=C(\C)CC[C@H]1[C@@H](/C=C(\C)C2=O)C1(C)C ZINC000103103376 KK Annotated Mild CCN(CC)C(=S)SC(C[C@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3)SC(=S)N(CC)CC ZINC000103104304 KK Annotated Reactive CCN(CC)C(=S)SC(C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3)SC(=S)N(CC)CC ZINC000103104308 KK Annotated Reactive COC1=C(CC=C(C)C)[C@]2(OC(=O)C3=C[C@]4(OC)C[C@H]5C(C)(C)O[C@@](CC=C(C)C)(C4=O)[C@]35O2)C(=O)C2=C1C=CC(C)(C)O2 ZINC000103104330 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000103106485 KK Annotated Anodyne C=C(C[C@]1(C(=O)OC)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@](CC=C(C)C)(C1)C2=O)C(=O)OC ZINC000103108471 KK Annotated Mild Cc1nc2cc(C(=O)N3c4ccccc4N=C(c4ccc(C(F)(F)F)cc4)[C@@H]3C(=O)NC(C)(C)C)ccc2[nH]1 ZINC000103115507 KK Annotated Anodyne Cc1nc2cc(C(=O)N3c4ccccc4N=C(c4ccc(C(F)(F)F)cc4)[C@H]3C(=O)NC(C)(C)C)ccc2[nH]1 ZINC000103115509 KK Annotated Anodyne COc1cc(CC(=O)N2c3ccccc3N=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2)cc(OC)c1 ZINC000103118875 KK Annotated Anodyne COc1cc(CC(=O)N2c3ccccc3N=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2)cc(OC)c1 ZINC000103118878 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103120696 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103120699 KK Annotated Anodyne COc1ccc(CCC(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@H]2C(=O)NC(C)C)cc1 ZINC000103120711 KK Annotated Anodyne COc1ccc(CCC(=O)N2c3ccccc3N=C(c3ccc(C(F)(F)F)cc3)[C@@H]2C(=O)NC(C)C)cc1 ZINC000103120714 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)[C@@H]2C(=O)NC2CCCC2)cc1 ZINC000103121780 KK Annotated Anodyne COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc4ncccc4c3)[C@H]2C(=O)NC2CCCC2)cc1 ZINC000103121784 KK Annotated Anodyne O=C(NC1CCCC1)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103122879 KK Annotated Anodyne O=C(NC1CCCC1)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cccc2ccccc12 ZINC000103122883 KK Annotated Anodyne CC(C)NC(=O)[C@@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cc2ccccc2[nH]1 ZINC000103125345 KK Annotated Anodyne CC(C)NC(=O)[C@H]1C(c2ccc(C(F)(F)F)cc2)=Nc2ccccc2N1C(=O)c1cc2ccccc2[nH]1 ZINC000103125348 KK Annotated Anodyne Cc1nc2cc(C(=O)N3c4ccccc4N=C(c4ccc5c(c4)OCO5)[C@@H]3C(=O)NCc3ccccc3)ccc2[nH]1 ZINC000103125360 KK Annotated Anodyne Cc1nc2cc(C(=O)N3c4ccccc4N=C(c4ccc5c(c4)OCO5)[C@H]3C(=O)NCc3ccccc3)ccc2[nH]1 ZINC000103125362 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103126670 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H]1C(c2ccc3c(c2)OCO3)=Nc2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 ZINC000103126674 KK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000103129263 KK Annotated Reactive O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)Nc1cc3c(cc1-2)N[C@H](c1ccccc1)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130371 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1)Nc1cc3c(cc1-2)N[C@@H](c1ccccc1)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130374 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1)Nc1cc3c(cc1-2)N[C@H](c1ccccc1)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130377 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1Cl)Nc1cc3c(cc1-2)N[C@@H](c1ccccc1Cl)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130382 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1Cl)Nc1cc3c(cc1-2)N[C@@H](c1ccccc1Cl)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130384 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1Cl)Nc1cc3c(cc1-2)N[C@H](c1ccccc1Cl)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130386 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1)Nc1cc3c(cc1-2)N[C@H](c1ccc(Cl)cc1)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130391 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(Cl)cc1)Nc1cc3c(cc1-2)N[C@@H](c1ccc(Cl)cc1)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130393 KK Annotated Anodyne O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(Cl)cc1)Nc1cc3c(cc1-2)N[C@H](c1ccc(Cl)cc1)c1c-3[nH]c(=S)[nH]c1=O ZINC000103130396 KK Annotated Anodyne CO[C@H]1C(O)=C2C(=O)O/C(C)=C/C=C/C=C/C=C\C[C@H](c3ccccc3)NC(=O)/C=C\C=C/C=C/C=C/[C@@]2(C)[C@@H]1O ZINC000103131998 KK Annotated Anodyne CO[C@H]1C(O)=C2C(=O)O/C(C)=C/C=C/C=C/C=C\C[C@@H](c3ccccc3)NC(=O)/C=C\C=C/C=C/C=C/[C@@]2(C)[C@@H]1O ZINC000103132000 KK Annotated Anodyne N#Cc1c(-c2ccccc2Br)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134033 KK Annotated Mild N#Cc1c(-c2cccc(Br)c2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134035 KK Annotated Mild N#Cc1c(-c2ccccc2C(F)(F)F)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134040 KK Annotated Mild N#Cc1c(-c2ccc(C(F)(F)F)cc2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134045 KK Annotated Mild N#Cc1c(-c2ccccc2Cl)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134058 KK Annotated Mild N#Cc1c(-c2cccc(Cl)c2)c(C#N)c(=O)n(/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1N ZINC000103134060 KK Annotated Mild COc1ccc(C(=O)C2=C[C@H](c3ccccc3C)C(=O)C=C2)c(OCc2cn(Cc3ccc(C(C)(C)C)cc3)nn2)c1 ZINC000103139111 KK Annotated Mild COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000103143519 KK Annotated Mild COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OC ZINC000103143522 KK Annotated Mild COCOc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000103143525 KK Annotated Mild CCOc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000103143528 KK Annotated Mild CCCOc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000103143531 KK Annotated Mild C=CCOc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000103143535 KK Annotated Mild C#CCOc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000103145309 KK Annotated Mild CC(=O)Oc1cc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)ccc1O ZINC000103145312 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OC(C)C)c(O)c1)=C2O ZINC000103145454 KK Annotated Mild C=C1[C@H]2C[C@H](OC(=O)c3ccc(Br)cc3)[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C2)[C@@H]1O ZINC000103146805 KK Annotated Mild Cc1ccccc1N(NC(=O)CC(=O)NN(C(=S)c1ccccc1)c1ccccc1C)C(=S)c1ccccc1 ZINC000103147595 KK Annotated Reactive O=C(CC(=O)NN(C(=S)c1ccccc1)c1ccccc1)NN(C(=S)c1ccccc1)c1ccccc1 ZINC000103147599 KK Annotated Reactive C/C=C1/CN2CCc3c4n(c5ccccc35)C=C3[C@H]5C[C@@H]6N(CC[C@@]67c6ccccc6N(C=C4[C@H]1CC2=O)[C@@H]37)C/C5=C/C ZINC000103150710 KK Annotated Anodyne CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103153644 KK Annotated Clean CC1=NNC(=O)[C@@H]1[C@@H](c1c(-c2ccccc2)[nH]c2ccc(C)cc12)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000103154651 KK Annotated Anodyne CC1=NNC(=O)[C@@H]1[C@H](c1c(-c2ccccc2)[nH]c2ccc(C)cc12)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000103154653 KK Annotated Anodyne CC1=NNC(=O)[C@H]1[C@@H](c1c(-c2ccccc2)[nH]c2ccc(C)cc12)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000103154654 KK Annotated Anodyne CC1=NNC(=O)[C@H]1[C@H](c1c(-c2ccccc2)[nH]c2ccc(C)cc12)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000103154657 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NNc2ccccc2)n1-c1ccccc1 ZINC000103157985 KK Annotated Anodyne CN(C)CCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103157989 KK Annotated Anodyne CCN(CC)CCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103157994 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)CC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)[C@H]2CC(C)(C)CC[C@]12C ZINC000103162289 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@]4(C)[C@@H](C)C(=O)CC(=O)[C@@H]4[C@]3(C)CC[C@@]2(C)[C@H]2CC(C)(C)CC[C@]12C ZINC000103162291 KK Annotated Anodyne C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 ZINC000103163101 KK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(OC)ccc21 ZINC000103163887 KK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 ZINC000103163894 KK Annotated Mild N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000103165483 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCc2cccnc2)n1-c1ccccc1 ZINC000103165485 KK Annotated Anodyne CN1CCN(CCCNc2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000103165490 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103165495 KK Annotated Anodyne CN(C)CCCNc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000103165497 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCc2ccccn2)n1-c1ccccc1 ZINC000103165504 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCCc2ccccn2)n1-c1ccccc1 ZINC000103165509 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(NCCc2ccncc2)n1-c1ccccc1 ZINC000103165513 KK Annotated Anodyne S=c1[nH]nc(COc2ccc(Cl)cc2Cl)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000103166793 KK Annotated Mild Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000103167031 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103167190 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103167192 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103167194 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103167197 KK Annotated Mild O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(F)cccc1F ZINC000103167305 KK Annotated Anodyne O=C(NCC1(O)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1)Nc1c(Cl)cccc1Cl ZINC000103167308 KK Annotated Anodyne O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCc1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1 ZINC000103167592 KK Annotated Anodyne CCOC(=O)C1=C(N)N(Nc2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103167742 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(F)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103167744 KK Annotated Mild CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000103168462 KK Annotated Anodyne CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2cccc(Cl)c2)CC1 ZINC000103168466 KK Annotated Anodyne CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2ccccc2nc1Cl ZINC000103168526 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2ccccc2nc1Cl ZINC000103168528 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103168530 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103168531 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103168533 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103168536 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103168537 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103168539 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2ccccc2nc1Cl ZINC000103168541 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2ccccc2nc1Cl ZINC000103168543 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Cl)cc2)nc(NCN2CCCCC2)n1 ZINC000103168747 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccccc2Br)nc(NCN2CCCCC2)n1 ZINC000103168749 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2cccc(Br)c2)nc(NCN2CCCCC2)n1 ZINC000103168751 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Br)cc2)nc(NCN2CCCCC2)n1 ZINC000103168753 KK Annotated Anodyne COc1ccccc1-c1cc(-c2cc3cc(Br)ccc3oc2=O)nc(NCN2CCCCC2)n1 ZINC000103168755 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Cl)cc2Cl)nc(NCN2CCOCC2)n1 ZINC000103169202 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2c(Cl)cccc2Cl)nc(NCN2CCOCC2)n1 ZINC000103169204 KK Annotated Anodyne O=C1NN=C(c2ccccc2)[C@H](c2ccccc2)[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000103169243 KK Annotated Anodyne O=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000103169246 KK Annotated Anodyne O=C1NN=C(c2ccccc2)[C@H](c2ccccc2)[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000103169248 KK Annotated Anodyne O=C1NN=C(c2ccccc2)[C@@H](c2ccccc2)[C@H]1Sc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000103169249 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000103170013 KK Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000103170015 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Cl)cc2Cl)nc(NCN2CCCCC2)n1 ZINC000103170088 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CN3C(=O)c4cccc5c(NCc6ccccc6)ccc(c45)C3=O)CCC[C@]21C ZINC000103170149 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CN3C(=O)c4cccc5c(NCc6ccccc6)ccc(c45)C3=O)CCC[C@]21C ZINC000103170152 KK Annotated Anodyne CCN(CC)C(=O)Sc1nnc(CCCCc2nnc(SC(=O)N(CC)CC)n2-c2ccccc2)n1-c1ccccc1 ZINC000103170160 KK Annotated Anodyne CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1C2=O ZINC000103170187 KK Annotated Anodyne O=C(NCCn1c(-c2ccccc2)nc2ccc([N+](=O)[O-])cc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000103170329 KK Annotated Bother CCOC(=O)CSc1nnc(CCCCc2nnc(SCC(=O)OCC)n2-c2cccc(C)c2)n1-c1cccc(C)c1 ZINC000103170731 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2c(Cl)cccc2Cl)nc(NCN2CCCCC2)n1 ZINC000103170747 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccccc2Cl)nc(NCN2CCOCC2)n1 ZINC000103170750 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2cccc(Cl)c2)nc(NCN2CCOCC2)n1 ZINC000103170752 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Cl)cc2)nc(NCN2CCOCC2)n1 ZINC000103170754 KK Annotated Anodyne COc1cc2c(Br)c(CN3CCC[C@H]3C(=N)OC(C)(C)C)c3cc(OC)c(OC)cc3c2cc1OC ZINC000103170792 KK Annotated Bother CCN(CC)C(=O)Sc1nnc(CCCCc2nnc(SC(=O)N(CC)CC)n2-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000103170809 KK Annotated Anodyne CCN(CC)C(=O)Sc1nnc(CCCCc2nnc(SC(=O)N(CC)CC)n2-c2cccc(C)c2)n1-c1cccc(C)c1 ZINC000103170812 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1cc(C(F)(F)F)ccc1F ZINC000103171289 KK Annotated Mild N#CC1(C#N)[C@@H](c2cc(C(F)(F)F)ccc2F)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000103171292 KK Annotated Mild N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(Cl)cc1C(F)(F)F ZINC000103171294 KK Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(Cl)cc1C(F)(F)F ZINC000103171296 KK Annotated Mild CCOC(=O)CSc1nnc(CCCCc2nnc(SCC(=O)OCC)n2C2CCCCC2)n1C1CCCCC1 ZINC000103171322 KK Annotated Anodyne CSc1cccc(Nc2nc(-c3ccc(C)cc3)cc(-c3c(C)nn(-c4ccccc4)c3-c3ccccc3)n2)c1 ZINC000103171348 KK Annotated Anodyne CCN(CC)C(=O)Sc1nnc(CCCCc2nnc(SC(=O)N(CC)CC)n2C2CCCCC2)n1C1CCCCC1 ZINC000103171367 KK Annotated Anodyne CCCCn1c(CCCCc2nnc(SC(=O)N(CC)CC)n2CCCC)nnc1SC(=O)N(CC)CC ZINC000103171370 KK Annotated Anodyne CCOC(=O)CSc1nnc(CCCCc2nnc(SCC(=O)OCC)n2-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000103171927 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2ccc(Br)cc2)nc2nc(/C=C/C(=O)O)[nH]c(=O)c12 ZINC000103172059 KK Annotated Anodyne Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(Cl)c1-c1ccc(OC(F)(F)F)cc1 ZINC000103172609 KK Annotated Anodyne O[C@](/C=C/c1c(Cl)cccc1Cl)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103172620 KK Annotated Anodyne O[C@@](/C=C/c1c(Cl)cccc1Cl)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103172622 KK Annotated Anodyne O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)S[C@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103172763 KK Annotated Anodyne O=C(NN1C(=O)/C(=C/c2cccc(Br)c2)S[C@@H]1c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103172767 KK Annotated Anodyne COc1ccc(/C=C2\S[C@@H](c3ccc(Cl)cc3)N(NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000103172769 KK Annotated Anodyne COc1ccc(/C=C2\S[C@H](c3ccc(Cl)cc3)N(NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000103172771 KK Annotated Anodyne C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(OC)ccc21 ZINC000103172819 KK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(OC)ccc21 ZINC000103172822 KK Annotated Mild Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103173029 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103173032 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000103173035 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000103173037 KK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)F)cc2)c(Br)c1Cl ZINC000103173117 KK Annotated Anodyne O[C@@](/C=C/c1ccc(Cl)c(Cl)c1)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103173127 KK Annotated Anodyne O[C@](/C=C/c1ccc(Cl)c(Cl)c1)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103173129 KK Annotated Anodyne Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(Br)c1-c1ccc(OC(F)(F)F)cc1 ZINC000103173498 KK Annotated Anodyne O[C@@](/C=C/c1ccc(Cl)cc1Cl)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103173515 KK Annotated Anodyne O[C@](/C=C/c1ccc(Cl)cc1Cl)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000103173516 KK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(Br)cc2)c(Cl)c1Cl ZINC000103173570 KK Annotated Anodyne CC1(C)COP(=O)([C@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)OC1 ZINC000103173579 KK Annotated Anodyne CC1(C)COP(=O)([C@@H](OC(=O)COc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)OC1 ZINC000103173580 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103173601 KK Annotated Bother O=C(/C=C/c1ccccc1Cl)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103173772 KK Annotated Bother O=C(/C=C/c1ccccc1Cl)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103173773 KK Annotated Bother O=C(/C=C/c1cccc(Cl)c1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103173775 KK Annotated Bother O=C(/C=C/c1cccc(Cl)c1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103173777 KK Annotated Bother O=C(/C=C/c1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103173779 KK Annotated Bother O=C(/C=C/c1ccc(Cl)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103173781 KK Annotated Bother Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(-c3ccccc3)cc2)c(Cl)c1Cl ZINC000103174154 KK Annotated Anodyne Cc1cc(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103174168 KK Annotated Reactive Cc1cc(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103174170 KK Annotated Reactive CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc12 ZINC000103174195 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000103174261 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000103174265 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103174315 KK Annotated Bother CC(=O)c1ccccc1[C@@H]1CC(c2cc3cc(O)ccc3o2)=NN1C(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000103174427 KK Annotated Bother CC(=O)c1ccccc1[C@H]1CC(c2cc3cc(O)ccc3o2)=NN1C(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000103174429 KK Annotated Bother N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@H]1c1ccc(Br)cc1 ZINC000103174439 KK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@@H]1c1ccc(Br)cc1 ZINC000103174441 KK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@H]1c1ccc(Cl)cc1 ZINC000103174443 KK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103174444 KK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@H]1c1ccc(Br)cc1 ZINC000103174446 KK Annotated Reactive N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@@H]1c1ccc(Br)cc1 ZINC000103174448 KK Annotated Reactive CCN(CC)C(=O)[C@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc12 ZINC000103174769 KK Annotated Bother CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2c(Br)c(OC)ccc12 ZINC000103174773 KK Annotated Bother CCN(CC)C(=O)[C@H]1CCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2c(Br)c(OC)ccc12 ZINC000103174776 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000103174926 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000103174928 KK Annotated Bother COc1ccc([C@@H]2CC(c3cc4cc(O)ccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000103174930 KK Annotated Clean COc1ccc([C@H]2CC(c3cc4cc(O)ccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000103174932 KK Annotated Clean O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccccc2Br)nc(NCN2CCOCC2)n1 ZINC000103175003 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2cccc(Br)c2)nc(NCN2CCOCC2)n1 ZINC000103175005 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccc(Br)cc2)nc(NCN2CCOCC2)n1 ZINC000103175617 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1cc(-c2ccccc2Cl)nc(NCN2CCCCC2)n1 ZINC000103175621 KK Annotated Anodyne O=C(N[C@@H]1CCCCCCCCCCC(=O)OCCC1)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O ZINC000103175672 KK Annotated Anodyne O=C(N[C@H]1CCCCCCCCCCC(=O)OCCC1)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O ZINC000103175673 KK Annotated Anodyne O=C(N[C@@H]1CCCCCCCCCCC(=O)OCCC1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O ZINC000103175674 KK Annotated Anodyne O=C(N[C@H]1CCCCCCCCCCC(=O)OCCC1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O ZINC000103175676 KK Annotated Anodyne Clc1ccc([C@H](CN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)Cn2cncn2)c(Cl)c1 ZINC000103176097 KK Annotated Anodyne C=CCNC(=N)SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176219 KK Annotated Mild C/N=C(/NC)SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176222 KK Annotated Mild CCNC(=N)SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176224 KK Annotated Anodyne CNC(=N)SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176227 KK Annotated Anodyne N=C(N)SCc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000103176230 KK Annotated Anodyne N#Cc1c(-c2ccccc2Br)cc(-c2ccc(Nc3cc(=O)oc4ccccc34)cc2)nc1N ZINC000103177033 KK Annotated Mild Cc1ccccc1NC(=S)Nc1cc2c(Sc3nnc(-c4cccnc4)o3)ncnc2cc1N1CCN(C)CC1 ZINC000103177734 KK Annotated Anodyne Cc1c(/N=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000103177738 KK Annotated Mild O=C(NCCSCCOc1ccccc1-c1ccccc1OCCSCCNC(=O)c1ccccc1)c1ccccc1 ZINC000103177814 KK Annotated Anodyne O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000103177970 KK Annotated Reactive CCc1ccc(-c2ccc([C@@](O)(Cc3ccccc3)c3cc4cc(-c5ccc(CC)cc5)ccc4o3)cc2)cc1 ZINC000103178019 KK Annotated Anodyne CCc1ccc(-c2ccc([C@](O)(Cc3ccccc3)c3cc4cc(-c5ccc(CC)cc5)ccc4o3)cc2)cc1 ZINC000103178021 KK Annotated Anodyne CCOc1ccccc1-c1ccc([C@@](O)(c2cc3cc(-c4ccccc4OCC)ccc3o2)C(C)C)cc1 ZINC000103178024 KK Annotated Anodyne CCOc1ccccc1-c1ccc([C@](O)(c2cc3cc(-c4ccccc4OCC)ccc3o2)C(C)C)cc1 ZINC000103178027 KK Annotated Anodyne CCOc1ccccc1-c1ccc([C@@](O)(c2cc3cc(-c4ccccc4OCC)ccc3o2)C(C)(C)C)cc1 ZINC000103178030 KK Annotated Anodyne CCOc1ccccc1-c1ccc([C@](O)(c2cc3cc(-c4ccccc4OCC)ccc3o2)C(C)(C)C)cc1 ZINC000103178032 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1nnc(COc2ccc(Cl)cc2Cl)s1 ZINC000103178352 KK Annotated Anodyne Brc1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103178812 KK Annotated Anodyne CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000103178913 KK Annotated Anodyne Cc1cccc(NC(=S)Nc2cc3c(Sc4nnc(-c5cccnc5)o4)ncnc3cc2N2CCN(C)CC2)c1 ZINC000103178996 KK Annotated Anodyne Cc1ccc(NC(=S)Nc2cc3c(Sc4nnc(-c5cccnc5)o4)ncnc3cc2N2CCN(C)CC2)cc1 ZINC000103178998 KK Annotated Anodyne O=C(NCCSCCOc1ccccc1-c1ccccc1OCCSCCNC(=O)c1ccco1)c1ccco1 ZINC000103179070 KK Annotated Anodyne CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000103179169 KK Annotated Clean CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000103179171 KK Annotated Clean Cc1nc(C(C)(C)C)sc1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103179330 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(OC(F)(F)F)cc3)n2-c2ccccc2)n1 ZINC000103179589 KK Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3F)n2/N=C/c2c(F)cccc2F)n1 ZINC000103179592 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)n2/N=C/c2c(F)cccc2F)n1 ZINC000103179594 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)n2/N=C/c2c(F)cccc2F)n1 ZINC000103179596 KK Annotated Mild Cc1ccc(Sc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)cc1 ZINC000103179601 KK Annotated Mild CC(C)(C)Oc1ccc(-c2nnc(SCCCN3CCN(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000103180131 KK Annotated Anodyne Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4ccccc4nc3Sc3ccccc3)c2C#N)cc1 ZINC000103181090 KK Annotated Mild N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cc2ccccc2nc1Sc1ccccc1 ZINC000103181092 KK Annotated Mild Cc1ccc(Sc2nc3ccccc3cc2-c2c(C#N)c(N)nc(Sc3ccccc3)c2C#N)cc1 ZINC000103181093 KK Annotated Mild Cc1ccc(Sc2nc3ccccc3cc2-c2c(C#N)c(N)nc(Sc3ccc(C)cc3)c2C#N)cc1 ZINC000103181095 KK Annotated Mild CCCN1C(=O)/C(=N\c2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)c2cc([N+](=O)[O-])ccc21 ZINC000103182881 KK Annotated Mild CCOc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103183196 KK Annotated Anodyne Cn1nc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1-c1ccccc1 ZINC000103183201 KK Annotated Anodyne Cc1ccccc1-c1cc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn1C ZINC000103183205 KK Annotated Anodyne Cc1ccc(-c2cc(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)c(C)c1 ZINC000103183209 KK Annotated Anodyne O=C1CS[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1n1c(S)nnc1COc1cccc2ccccc12 ZINC000103183285 KK Annotated Anodyne O=C1CS[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1n1c(S)nnc1COc1cccc2ccccc12 ZINC000103183288 KK Annotated Anodyne Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103183991 KK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(Cl)ccc21 ZINC000103183994 KK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c2c(=O)oc2ccccc32)cc2cc(Cl)ccc21 ZINC000103183996 KK Annotated Mild Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000103184447 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000103184448 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000103184451 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000103184453 KK Annotated Reactive O=C1CS[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1n1c(S)nnc1COc1ccc2ccccc2c1 ZINC000103184560 KK Annotated Anodyne O=C1CS[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1n1c(S)nnc1COc1ccc2ccccc2c1 ZINC000103184562 KK Annotated Anodyne CCc1ccc(N(Cc2ccc(C)cc2)C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(CC)cc2)cc1 ZINC000103185095 KK Annotated Anodyne CCc1ccc(N(Cc2ccccc2)C(=O)/C=C/C(=O)N(Cc2ccccc2)c2ccc(CC)cc2)cc1 ZINC000103185098 KK Annotated Anodyne CCOc1ccc(N(Cc2ccc(C)cc2)C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(OCC)cc2)cc1 ZINC000103185178 KK Annotated Anodyne Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103185245 KK Annotated Mild O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(Br)c2)o1 ZINC000103185591 KK Annotated Reactive O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(Br)c2)o1 ZINC000103185593 KK Annotated Reactive O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(Br)c2)o1 ZINC000103185596 KK Annotated Reactive O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(Br)c2)o1 ZINC000103185599 KK Annotated Reactive Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185602 KK Annotated Reactive Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185604 KK Annotated Reactive Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185606 KK Annotated Reactive Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185608 KK Annotated Reactive COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185673 KK Annotated Reactive COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185674 KK Annotated Reactive COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185676 KK Annotated Reactive COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 ZINC000103185679 KK Annotated Reactive O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(Br)c2)o1 ZINC000103185681 KK Annotated Reactive O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(Br)c2)o1 ZINC000103185683 KK Annotated Reactive O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(Br)c2)o1 ZINC000103185685 KK Annotated Reactive O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(Br)c2)o1 ZINC000103185687 KK Annotated Reactive Cc1cc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl ZINC000103185689 KK Annotated Reactive Cc1cc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl ZINC000103185691 KK Annotated Reactive Cc1cc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl ZINC000103185692 KK Annotated Reactive Cc1cc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl ZINC000103185694 KK Annotated Reactive Cc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103186208 KK Annotated Anodyne Cc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103186210 KK Annotated Anodyne CCCC/C(=C(\c1ccccc1)c1cc(C(C)(C)C)c(C(C)=O)c(C(C)(C)C)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000103186568 KK Annotated Anodyne CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2ccccc2nc1Cl ZINC000103186955 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2ccccc2nc1Cl ZINC000103186957 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103186959 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103186961 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103186964 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103186966 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103186969 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103186970 KK Annotated Mild Cc1cccc(OCc2ccccc2-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)c1 ZINC000103187445 KK Annotated Anodyne Cc1ccc(OCc2ccccc2-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000103187449 KK Annotated Anodyne Clc1ccc(OCc2ccccc2-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 ZINC000103187452 KK Annotated Anodyne Cc1ccccc1OCc1ccccc1-c1nc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cs1 ZINC000103187458 KK Annotated Anodyne Cc1ccccc1OCc1ccccc1-c1nc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cs1 ZINC000103187461 KK Annotated Anodyne Cc1cccc(OCc2ccccc2-c2nc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)c1 ZINC000103187464 KK Annotated Anodyne Cc1cccc(OCc2ccccc2-c2nc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)c1 ZINC000103187467 KK Annotated Anodyne CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=O)Nc2ccc(-c3ccccc3)cc2)CC1 ZINC000103187891 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103188067 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103188070 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000103188073 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000103188075 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103188078 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103188081 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103188085 KK Annotated Anodyne COc1ccc(/C=C2\CCCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103188088 KK Annotated Anodyne Fc1ccc(Br)cc1/C=N/[C@@H]1Oc2ccccc2C[C@@H]1c1noc(-c2cc(Br)ccc2F)n1 ZINC000103188115 KK Annotated Mild Fc1ccc(Br)cc1/C=N/[C@@H]1Oc2ccccc2C[C@H]1c1noc(-c2cc(Br)ccc2F)n1 ZINC000103188118 KK Annotated Mild Fc1ccc(Br)cc1/C=N/[C@H]1Oc2ccccc2C[C@@H]1c1noc(-c2cc(Br)ccc2F)n1 ZINC000103188120 KK Annotated Mild Fc1ccc(Br)cc1/C=N/[C@H]1Oc2ccccc2C[C@H]1c1noc(-c2cc(Br)ccc2F)n1 ZINC000103188123 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCc1c(O)c(OC(C)=O)c(C)c(OC(C)=O)c1OC(C)=O ZINC000103188170 KK Annotated Anodyne C=C1Cc2ccc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@]1(O)CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C ZINC000103188443 KK Annotated Mild C=C1Cc2ccc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C ZINC000103188448 KK Annotated Mild CC1(C)CC(=O)C(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)=C(Nc2ccc(Cl)c(Cl)c2)C1 ZINC000103188606 KK Annotated Mild CC1(C)CC(=O)C(S(=O)(=O)Nc2ccc(Br)cc2)=C(Nc2ccc(Br)cc2)C1 ZINC000103188609 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c(=O)n3-c3nc4ccccc4s3)cc2)cc1 ZINC000103188670 KK Annotated Anodyne CC1(C)CC(=O)C(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)=C(Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000103188686 KK Annotated Mild CCCCCCCCOc1cc(-c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)cc(-c2c(C)nn(-c3ccc([N+](=O)[O-])cc3)c2C)c1 ZINC000103189085 KK Annotated Mild O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc2ncnc(Sc3nnc(-c4cccnc4)o3)c2c1 ZINC000103189361 KK Annotated Anodyne CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103189626 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103189629 KK Annotated Mild CN1CCN(c2cc3ncnc(Sc4nnc(-c5cccnc5)o4)c3cc2NC(=S)Nc2ccccc2Cl)CC1 ZINC000103189659 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103189745 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103189747 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103189749 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)c(OC)c2)cc1OC ZINC000103189752 KK Annotated Anodyne CCOC(=O)C1=C(N)N(Nc2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103189756 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103189760 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2ccccc2nc1Cl ZINC000103189763 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2ccccc2nc1Cl ZINC000103189767 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103189772 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103189775 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103189778 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103189782 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103189786 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000103189789 KK Annotated Mild COc1ccc(OC)c(/C=C2\CCCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)cc2OC)c1 ZINC000103189841 KK Annotated Anodyne COc1ccc(OC)c(/C=C2\CCCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)cc2OC)c1 ZINC000103189843 KK Annotated Anodyne COc1ccc(OC)c(/C=C2\CCCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)cc2OC)c1 ZINC000103189846 KK Annotated Anodyne COc1ccc(OC)c(/C=C2\CCCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)cc2OC)c1 ZINC000103189849 KK Annotated Anodyne Brc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000103189864 KK Annotated Mild Brc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000103189866 KK Annotated Mild Brc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000103189871 KK Annotated Mild Brc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(Br)cc3)n2)cc1 ZINC000103189872 KK Annotated Mild Fc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(F)c(Oc4ccccc4)c3)n2)cc1Oc1ccccc1 ZINC000103189891 KK Annotated Mild Fc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@H]2c2noc(-c3ccc(F)c(Oc4ccccc4)c3)n2)cc1Oc1ccccc1 ZINC000103189893 KK Annotated Mild Fc1ccc(/C=N/[C@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(F)c(Oc4ccccc4)c3)n2)cc1Oc1ccccc1 ZINC000103189896 KK Annotated Mild Fc1ccc(/C=N/[C@@H]2Oc3ccccc3C[C@@H]2c2noc(-c3ccc(F)c(Oc4ccccc4)c3)n2)cc1Oc1ccccc1 ZINC000103189897 KK Annotated Mild Clc1ccc(OCc2nc3ccccc3nc2COc2ccc(Cl)c3cccnc23)c2ncccc12 ZINC000103190751 KK Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc([C@H](O)c3cc4cc(-c5cccc(S(C)(=O)=O)c5)ccc4o3)cc2)c1 ZINC000103190769 KK Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc([C@@H](O)c3cc4cc(-c5cccc(S(C)(=O)=O)c5)ccc4o3)cc2)c1 ZINC000103190772 KK Annotated Anodyne Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000103191346 KK Annotated Anodyne O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(Br)cc1)N(Cc1ccccc1)c1ccc(Br)cc1 ZINC000103191352 KK Annotated Anodyne CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103191599 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103191601 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103191608 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(C)ccc2nc1Cl ZINC000103191610 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103191612 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(OC)ccc2nc1Cl ZINC000103191615 KK Annotated Mild COc1ccc(OC)c(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000103191680 KK Annotated Anodyne COc1ccc(OC)c(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2cc(OC)ccc2OC)c1 ZINC000103191683 KK Annotated Anodyne COc1ccc(OC)c(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2cc(OC)ccc2OC)c1 ZINC000103191685 KK Annotated Anodyne COc1ccc(OC)c(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2cc(OC)ccc2OC)c1 ZINC000103191689 KK Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccccc2F)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103191827 KK Annotated Anodyne C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000103192602 KK Annotated Reactive COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3nc(C(C)C)cs3)n2-c2ccccc2)cc1 ZINC000103192604 KK Annotated Reactive Clc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103193301 KK Annotated Anodyne Clc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103193304 KK Annotated Anodyne Clc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103193307 KK Annotated Anodyne Clc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103193311 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103193314 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000103193316 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000103193318 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccc(Br)cc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000103193320 KK Annotated Anodyne Cc1nc2c(I)cc(I)cc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 ZINC000103193405 KK Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccccc2Cl)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193449 KK Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2cccc(F)c2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193517 KK Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccc(F)cc2)cc(-c2cc3cc(Cl)ccc3nc2Cl)n1 ZINC000103193522 KK Annotated Anodyne COc1ccc(OC)c(/C=C/c2nnc(SCC(=O)c3cc(O)ccc3O)n2-c2ccc(C)cc2)c1 ZINC000103193599 KK Annotated Anodyne C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(Br)cc1 ZINC000103194123 KK Annotated Reactive C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(Cl)cc1 ZINC000103194126 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 ZINC000103194266 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@@](C)(COC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000103194269 KK Annotated Reactive Cc1cccc(Nc2ccccc2C(=O)NCC(=O)OCc2c(C(C)C)c(=O)n(-c3ccccc3)n2C)c1C ZINC000103194409 KK Annotated Anodyne Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 ZINC000103195478 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 ZINC000103195481 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 ZINC000103195483 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 ZINC000103195485 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 ZINC000103195487 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 ZINC000103195490 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 ZINC000103195492 KK Annotated Reactive Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 ZINC000103195495 KK Annotated Reactive CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCBr)(CCCCBr)C3)c2ccccc21 ZINC000103196541 KK Annotated Reactive CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCBr)(CCCCBr)C3)c2ccccc21 ZINC000103196544 KK Annotated Reactive Cn1nc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1-c1ccc(Cl)cc1Cl ZINC000103196794 KK Annotated Anodyne Cc1ccc(-c2c(C)c(OCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103196798 KK Annotated Anodyne CCc1ccc(-c2c(C)c(OCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103196804 KK Annotated Anodyne Cc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103196916 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccc(C(C)(C)C)cc1 ZINC000103197009 KK Annotated Anodyne CC(=O)Nc1ccc2nc(NC(=O)CNc3ccc(-c4nc(N5C[C@@H](C)C[C@@H](C)C5)nc(N5C[C@@H](C)C[C@@H](C)C5)n4)cc3)sc2c1 ZINC000103197191 KK Annotated Anodyne CC(=O)Nc1ccc2nc(NC(=O)CNc3ccc(-c4nc(N5C[C@@H](C)C[C@H](C)C5)nc(N5C[C@@H](C)C[C@@H](C)C5)n4)cc3)sc2c1 ZINC000103197192 KK Annotated Anodyne CC(=O)Nc1ccc2nc(NC(=O)CNc3ccc(-c4nc(N5C[C@@H](C)C[C@@H](C)C5)nc(N5C[C@H](C)C[C@@H](C)C5)n4)cc3)sc2c1 ZINC000103197194 KK Annotated Anodyne Cc1ccc(-c2c(C)c(OCCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103198155 KK Annotated Anodyne CCc1ccc(-c2c(C)c(OCCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103198157 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccccc1 ZINC000103198159 KK Annotated Anodyne Cc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)c(C)c1 ZINC000103198263 KK Annotated Anodyne Cc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1C ZINC000103198265 KK Annotated Anodyne Cc1ccc(C)c(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)c1 ZINC000103198267 KK Annotated Anodyne CCc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103198271 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccc(C(C)C)cc1 ZINC000103198276 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccc(F)cc1 ZINC000103198350 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccc(Cl)cc1 ZINC000103198352 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccc(Cl)cc1Cl ZINC000103198355 KK Annotated Anodyne Cc1c(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)nn(C)c1-c1ccc(Cl)c(Cl)c1 ZINC000103198357 KK Annotated Anodyne COc1ccc(-c2c(C)c(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103198359 KK Annotated Anodyne Clc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103198506 KK Annotated Anodyne Clc1ccc(OCc2ccccc2-c2nc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cs2)cc1 ZINC000103198509 KK Annotated Anodyne Cc1ccccc1OCc1ccccc1-c1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000103198748 KK Annotated Anodyne C=CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198948 KK Annotated Mild C=CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000103198950 KK Annotated Mild Cc1ccc(-c2cc(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1C ZINC000103199367 KK Annotated Anodyne CCc1ccc(-c2cc(OCCCOc3c(Cl)cc(OCC=C(Cl)Cl)cc3Cl)nn2C)cc1 ZINC000103199369 KK Annotated Anodyne Cn1nc(OCCCOc2c(Cl)cc(OCC=C(Cl)Cl)cc2Cl)cc1-c1ccc(Cl)cc1 ZINC000103199372 KK Annotated Anodyne Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1-c1ccccc1-c1c(C)nn(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000103199925 KK Annotated Bother O=c1nc(-c2c(F)cccc2F)sn1-c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000103200236 KK Annotated Anodyne CCOc1ccccc1/N=C/c1nc2ccc(I)cc2c(=O)n1-c1ccc(F)cc1 ZINC000103200315 KK Annotated Mild O=C(NC(=O)N(SSNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000103200633 KK Annotated Reactive Cn1cccc1-c1cc(-c2ccc(Br)cc2)n(C(=S)Nc2ccc(F)cc2)c(=O)c1C#N ZINC000103200647 KK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103200974 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(C(F)(F)F)cc2)cc1Cl ZINC000103200978 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000103200980 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000103200981 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000103200984 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000103200986 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000103200990 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000103200993 KK Annotated Bother O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c(Br)c1 ZINC000103201188 KK Annotated Mild Cc1nn(-c2ccccc2)c2nc(-n3nc(N)c(C#N)c3-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c12 ZINC000103201294 KK Annotated Mild O=C1N(c2ccccc2)c2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)[nH]c(=O)c2[C@@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201548 KK Annotated Anodyne O=C1N(c2ccccc2)c2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)[nH]c(=O)c2[C@H]2[C@H](N3CCCC3)CCCCN12 ZINC000103201550 KK Annotated Anodyne O=C1N(c2ccccc2)c2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)[nH]c(=O)c2[C@@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201552 KK Annotated Anodyne O=C1N(c2ccccc2)c2nc(Cc3ccccc3Nc3c(Cl)cccc3Cl)[nH]c(=O)c2[C@H]2[C@@H](N3CCCC3)CCCCN12 ZINC000103201553 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1F ZINC000103201674 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1F ZINC000103201676 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1F ZINC000103201679 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1F ZINC000103201680 KK Annotated Anodyne Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cc(Br)ccc2n1 ZINC000103201749 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccc(Cl)cc2n1 ZINC000103201753 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccc(C)c(C)c2n1 ZINC000103201755 KK Annotated Reactive Cc1ccc2nc(C)cc(N/N=C/c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)c2c1 ZINC000103201757 KK Annotated Reactive Cc1cc(-c2cccc(OC(F)(F)[C@@H](F)Cl)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201844 KK Annotated Reactive Cc1cc(-c2cccc(OC(F)(F)[C@H](F)Cl)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201846 KK Annotated Reactive O=C(NC(=O)N(SNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F ZINC000103201850 KK Annotated Mild O=C(NC(=O)N(SSNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl ZINC000103201855 KK Annotated Reactive Cc1cc(C2=CC[C@H](OC(F)(F)[C@@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201944 KK Annotated Reactive Cc1cc(C2=CC[C@@H](OC(F)(F)[C@@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201946 KK Annotated Reactive Cc1cc(C2=CC[C@H](OC(F)(F)[C@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201948 KK Annotated Reactive Cc1cc(C2=CC[C@@H](OC(F)(F)[C@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201949 KK Annotated Reactive Cc1cc(C2=CC[C@H](OC(=O)C(F)(F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201952 KK Annotated Anodyne Cc1cc(C2=CC[C@@H](OC(=O)C(F)(F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103201954 KK Annotated Anodyne CCOC(=O)CCN(Cc1ccccc1)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000103201961 KK Annotated Anodyne CCOC(=O)CCN(Cc1ccccc1)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000103201963 KK Annotated Anodyne CCOC(=O)CCN(Cc1ccccc1)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000103201965 KK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1cc(Br)c(-c2cccc(C(F)(F)F)c2)s1 ZINC000103202021 KK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1cc(Br)c(-c2cccc(OC(F)(F)F)c2)s1 ZINC000103202025 KK Annotated Anodyne CC(C)(C)OC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103202117 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)OCC2CCCC2)c1-c1ccc(Cl)cc1 ZINC000103202119 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)OC2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000103202120 KK Annotated Mild CCCOP(=O)(OCCC)[C@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103202148 KK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103202151 KK Annotated Anodyne CCCOP(=O)(OCCC)[C@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103202152 KK Annotated Anodyne CCCOP(=O)(OCCC)[C@@H](OC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000103202155 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000103202448 KK Annotated Reactive Cc1ccc(S(=O)(=O)Oc2ccc(N(Cc3cccc(Br)c3)Cc3cccc(Br)c3)cc2)cc1 ZINC000103202551 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)CCC[C@]21C ZINC000103202586 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)CCC[C@]21C ZINC000103202588 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(C(F)(F)F)cc2)cc1F ZINC000103203109 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(C(F)(F)F)cc2)cc1F ZINC000103203111 KK Annotated Anodyne CCc1cccc2c(N/N=C/c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)cc(C)nc12 ZINC000103203136 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cccc(F)c2n1 ZINC000103203140 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cc(F)ccc2n1 ZINC000103203146 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccccc2n1 ZINC000103203148 KK Annotated Reactive COc1ccc2nc(C)cc(N/N=C/c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)c2c1 ZINC000103203150 KK Annotated Reactive CCOc1ccc(-c2sc(-c3nc(-c4c(F)cccc4Cl)nn3C)c(Cl)c2Br)cc1 ZINC000103203251 KK Annotated Anodyne Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C ZINC000103203305 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C ZINC000103203307 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C ZINC000103203309 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C ZINC000103203311 KK Annotated Reactive Cc1cc(C2CCC(OC(F)(F)[C@@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203314 KK Annotated Reactive Cc1cc(C2CCC(OC(F)(F)[C@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203316 KK Annotated Reactive Cc1cc(C2CCC(OC(=O)C(F)(F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203318 KK Annotated Anodyne Cc1cc(C2=CC[C@H](OC(F)(F)[C@@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203320 KK Annotated Reactive Cc1cc(C2=CC[C@@H](OC(F)(F)[C@@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203322 KK Annotated Reactive Cc1cc(C2=CC[C@H](OC(F)(F)[C@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203323 KK Annotated Reactive Cc1cc(C2=CC[C@@H](OC(F)(F)[C@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103203325 KK Annotated Reactive Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)F)cc2)c(Cl)c1Cl ZINC000103203397 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCCN1Cc1c(Br)c2ccc(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103203474 KK Annotated Bother CCN(CC)C(=O)[C@@H]1CCCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc12 ZINC000103203477 KK Annotated Bother CCN(CC)C(=O)[C@H]1CCCCN1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)ccc12 ZINC000103203479 KK Annotated Bother C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3oc4c5c(c(OCC=C(C)C)cc4c3oc12)OC(C)(C)C=C5 ZINC000103203503 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)OCC(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000103203604 KK Annotated Mild Cc1nn(-c2ccccc2)c(Sc2ccc(F)cc2)c1/C=N/OCc1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000103203763 KK Annotated Mild Cc1ccc(Sc2c(/C=N/OCc3c(C)nn(-c4ccc(C)cc4)c3Cl)c(C)nn2-c2ccc(C)cc2)cc1 ZINC000103203766 KK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2C(F)(F)F)cc1F ZINC000103203784 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C(F)(F)F)cc1F ZINC000103203786 KK Annotated Anodyne CCCCCCCC(=O)OC[C@H]1[C@@H]2CON=C2c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000103203820 KK Annotated Mild CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103203881 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@H]1c1ccc(Cl)cc1 ZINC000103203883 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@@H]1c1ccc(Br)cc1 ZINC000103203886 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(F)cc4)nc23)[C@H]1c1ccc(Br)cc1 ZINC000103203887 KK Annotated Anodyne O=C(c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1)[n+]1nc(S)sc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000103204135 KK Annotated Clean COc1ccc(-c2sc(S)n[n+]2C(=O)c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1[N+](=O)[O-] ZINC000103204139 KK Annotated Clean O=C(c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1)[n+]1nc(S)sc1-c1ccc(Cl)cc1 ZINC000103204141 KK Annotated Clean Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cccc(Br)c2n1 ZINC000103204205 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccc(Cl)c(C)c2n1 ZINC000103204210 KK Annotated Reactive Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cc(Cl)ccc2n1 ZINC000103204213 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)C(Cl)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204306 KK Annotated Reactive Cc1c(-c2ccc(OC(F)=C(Cl)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204310 KK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)cc1Cl ZINC000103204367 KK Annotated Reactive Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)cc1Cl ZINC000103204368 KK Annotated Reactive Cc1cc(-c2ccc(OC(F)(F)C(Cl)Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204370 KK Annotated Reactive Cc1cc(-c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204372 KK Annotated Mild Cc1cc(-c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204376 KK Annotated Mild Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)cc1Cl ZINC000103204380 KK Annotated Reactive Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)cc1Cl ZINC000103204382 KK Annotated Reactive Cc1cc(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204384 KK Annotated Reactive Cc1cc(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103204388 KK Annotated Reactive O=C(CNN1C(=O)/C(=C/c2ccc(F)cc2F)N=C1c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 ZINC000103204562 KK Annotated Anodyne Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(-c2ccc(OC(F)(F)F)cc2)c1Br ZINC000103204569 KK Annotated Anodyne Cn1nc(-c2c(F)cccc2Cl)nc1-c1cc(Br)c(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000103204571 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCCN1Cc1c(Br)c2ccc(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103204623 KK Annotated Bother CCCCOC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103204899 KK Annotated Mild Cc1ccc(-n2nc(C)c(CO/N=C/c3c(C)nn(-c4ccc(C)cc4)c3Sc3ccc(F)cc3)c2Cl)cc1 ZINC000103205005 KK Annotated Mild Cc1ccc(Sc2c(/C=N/OCc3c(C)nn(-c4ccc(C)cc4)c3Cl)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000103205007 KK Annotated Mild COc1ccc(C(=O)OCn2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)cc1 ZINC000103205022 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccccc2[N+](=O)[O-])c1-c1ccc(Cl)cc1 ZINC000103205024 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccc([N+](=O)[O-])cc2)c1-c1ccc(Cl)cc1 ZINC000103205029 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1-c1ccc(Cl)cc1 ZINC000103205033 KK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1F ZINC000103205040 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1F ZINC000103205043 KK Annotated Anodyne Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2c(Cl)ccc(C)c2n1 ZINC000103205500 KK Annotated Reactive Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@@H](F)Cl)cc1 ZINC000103205629 KK Annotated Reactive Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@H](F)Cl)cc1 ZINC000103205634 KK Annotated Reactive Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@@H](F)Br)cc1 ZINC000103205638 KK Annotated Reactive Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@H](F)Br)cc1 ZINC000103205642 KK Annotated Reactive CC(C)N1CCN(c2nc(Oc3cccc4cccnc34)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)CC1 ZINC000103206187 KK Annotated Anodyne CCOP(=O)(OCC)O/C(COc1ccc(OP(=O)(OCC)OCC)cc1)=N\N=C1/C(=O)Nc2ccccc21 ZINC000103206242 KK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1F ZINC000103206267 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(Cl)cc2)cc1F ZINC000103206268 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1Cl ZINC000103206274 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1Cl ZINC000103206276 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1Cl ZINC000103206278 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1Cl ZINC000103206279 KK Annotated Anodyne O=C(NCc1ccccc1)NS(=O)(=O)c1ccc(N2N=C(c3ccc(Oc4ccccc4)cc3)CCC2=O)cc1 ZINC000103206748 KK Annotated Anodyne Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103206902 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103206904 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103206908 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103206912 KK Annotated Reactive Cc1c(-c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103206915 KK Annotated Mild Cc1c(-c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103206917 KK Annotated Mild Cc1cc(Br)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)CC(C)(C)C ZINC000103207298 KK Annotated Reactive Cc1ccc(/C=N/c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000103207338 KK Annotated Mild Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000103207343 KK Annotated Mild N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1cccc(Br)c1 ZINC000103207571 KK Annotated Anodyne N#CC1(C#N)[C@H](c2cccc(Br)c2)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000103207575 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1Cl ZINC000103207683 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1Cl ZINC000103207687 KK Annotated Anodyne COc1ccc(NC(NCCCCCCCCc2ccc(C(C)(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000103207894 KK Annotated Anodyne CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1 ZINC000103207945 KK Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1 ZINC000103207946 KK Annotated Reactive COc1ccc([C@H]2c3sc(Nc4ccc(S(N)(=O)=O)cc4)nc3Oc3[nH]c(=S)n(-c4ccccc4)c(=N)c32)cc1OC ZINC000103208235 KK Annotated Anodyne COc1ccc([C@@H]2c3sc(Nc4ccc(S(N)(=O)=O)cc4)nc3Oc3[nH]c(=S)n(-c4ccccc4)c(=N)c32)cc1OC ZINC000103208238 KK Annotated Anodyne O=C1CCC(c2ccc(Oc3ccccc3)cc2)=NN1c1ccc(S(=O)(=O)NC(=S)NCc2ccccc2)cc1 ZINC000103208522 KK Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1c1ccc(S(=O)(=O)NC(=S)NCc2ccccc2)cc1 ZINC000103208526 KK Annotated Anodyne O=C1CCC(c2ccc(-c3ccccc3)cc2)=NN1c1ccc(S(=O)(=O)NC(=S)Nc2ccccc2)cc1 ZINC000103208535 KK Annotated Anodyne Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)CCl ZINC000103208661 KK Annotated Reactive COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000103208820 KK Annotated Clean Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000103208823 KK Annotated Mild Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000103208833 KK Annotated Mild COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccccc2[N+](=O)[O-])cc1 ZINC000103208914 KK Annotated Clean COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc(Cl)cc2)cc1 ZINC000103208929 KK Annotated Clean CSC(C)(C)/C=N\OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000103208944 KK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(F)c2)cc1Cl ZINC000103209015 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(F)c2)cc1Cl ZINC000103209018 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1Cl ZINC000103209021 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1Cl ZINC000103209022 KK Annotated Anodyne O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@H]1c1ccccc1O ZINC000103209209 KK Annotated Clean O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@@H]1c1ccccc1O ZINC000103209211 KK Annotated Clean COc1ccccc1[C@@H]1CC(c2cc3cc(O)ccc3o2)=NN1C(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000103209213 KK Annotated Bother COc1ccccc1[C@H]1CC(c2cc3cc(O)ccc3o2)=NN1C(=O)Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000103209216 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@H]5c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000103210090 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@@H]5c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000103210093 KK Annotated Anodyne Cc1cc(Br)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)CCl ZINC000103210173 KK Annotated Reactive N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN(c4ccccc4)CC3)n2)cc1C(F)(F)F ZINC000103210206 KK Annotated Mild COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000103210291 KK Annotated Clean COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000103210377 KK Annotated Clean COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103210380 KK Annotated Clean COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000103210383 KK Annotated Clean CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000103210410 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000103210413 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000103210418 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000103210422 KK Annotated Mild COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2cccc(Cl)c2)cc1 ZINC000103210471 KK Annotated Clean Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2C(F)(F)F)cc1Cl ZINC000103210563 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C(F)(F)F)cc1Cl ZINC000103210567 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000103210573 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1Cl ZINC000103210577 KK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103210631 KK Annotated Mild C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103210636 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000103210642 KK Annotated Mild CS/C(N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(=O)NCc1ccccc1 ZINC000103210680 KK Annotated Reactive CS/C(N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(=O)NCc1ccccc1 ZINC000103210683 KK Annotated Reactive CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000103210687 KK Annotated Reactive CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 ZINC000103210689 KK Annotated Reactive CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 ZINC000103210787 KK Annotated Reactive CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 ZINC000103210789 KK Annotated Reactive O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@H]1c1ccco1 ZINC000103211018 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@@H]1c1ccco1 ZINC000103211020 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000103211628 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000103211631 KK Annotated Bother CC(C)(C)Cc1ccc(CCCCCCCNC(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103211856 KK Annotated Anodyne CN(C)c1ccc(NC(NCCCCCCCCc2ccc(C(C)(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103211859 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000103212006 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000103212009 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000103212013 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000103212018 KK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000103212149 KK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000103212153 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103212156 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000103212161 KK Annotated Mild Cc1ccc(-n2nc(C)c(/C=N/OCc3c(C)nn(-c4ccc(Cl)cc4)c3Cl)c2Sc2ccc(F)cc2)cc1 ZINC000103212433 KK Annotated Mild O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Br)cc1C(F)(C(F)(F)F)C(F)(F)F ZINC000103212652 KK Annotated Mild O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000103212694 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000103212698 KK Annotated Bother C[C@H]1C[C@@H](C)CN(c2nc(Oc3cccc4cccnc34)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)C1 ZINC000103212765 KK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2nc(Oc3cccc4cccnc34)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)C1 ZINC000103212766 KK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2nc(Oc3cccc4cccnc34)nc(Sc3nnc(-c4cc5ccccc5oc4=O)o3)n2)C1 ZINC000103212769 KK Annotated Anodyne O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@H]1/C=C/c1ccccc1 ZINC000103212799 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3cc(O)ccc3o2)C[C@@H]1/C=C/c1ccccc1 ZINC000103212801 KK Annotated Bother N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1C(F)(F)F ZINC000103213311 KK Annotated Mild COc1ccc(NC(NCCCCCCCCCCCc2ccc(C(C)(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000103213435 KK Annotated Anodyne COc1cc(NC(NCCCCCCCCc2ccc(C(C)(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC ZINC000103213439 KK Annotated Anodyne COc1ccc(NC(NCCCCCCCCc2ccc(OCCC(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000103213525 KK Annotated Anodyne COc1cc(NC(NCCCCCCCCc2ccc(OCCC(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)cc(OC)c1OC ZINC000103213527 KK Annotated Anodyne O=C1CCCC2=C1[C@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103213638 KK Annotated Mild O=C1CCCC2=C1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc([N+](=O)[O-])cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103213640 KK Annotated Mild CCOc1ccc(OCC)c(SC2=C(O)C[C@@](CSc3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000103213757 KK Annotated Anodyne CCOc1ccc(OCC)c(SC2=C(O)C[C@](CSc3ccccc3)(c3ccccc3)OC2=O)c1 ZINC000103213758 KK Annotated Anodyne Cc1ccccc1NC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103214071 KK Annotated Mild Cc1ccc(NC(=O)C(=O)OCn2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)cc1 ZINC000103214074 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)Nc2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000103214077 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)Nc2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000103214081 KK Annotated Mild CC(C)COC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103214083 KK Annotated Mild CC[C@@H](C)OC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103214086 KK Annotated Mild CC[C@H](C)OC(=O)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103214089 KK Annotated Mild CCCCOc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H](C)CCCC(C)C)cc1 ZINC000103214200 KK Annotated Anodyne CCCCOc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H](C)CCCC(C)C)cc1 ZINC000103214204 KK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1C(F)(F)F ZINC000103214641 KK Annotated Mild C[C@H]1C[C@@H](C)CN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ncnc4ccccc34)n2)C1 ZINC000103214645 KK Annotated Mild C[C@H]1C[C@H](C)CN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ncnc4ccccc34)n2)C1 ZINC000103214648 KK Annotated Mild C[C@@H]1C[C@@H](C)CN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ncnc4ccccc34)n2)C1 ZINC000103214653 KK Annotated Mild CCCCC[C@@H](C)N(Cc1ccc(CCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000103214752 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000103214755 KK Annotated Anodyne CCCC[C@@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103214759 KK Annotated Anodyne CCCC[C@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103214762 KK Annotated Anodyne O=C1CCCC2=C1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Br)cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103214927 KK Annotated Mild O=C1CCCC2=C1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Br)cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103214930 KK Annotated Mild O=C1CCCC2=C1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103214933 KK Annotated Mild O=C1CCCC2=C1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)CC(=O)N2c1ccc(F)cc1 ZINC000103214936 KK Annotated Mild CC1(C)CCC2=C(C1=O)C(c1ccc(C3C4=C(CCC(C)(C)C4=O)OC4=C3C(=O)C(C)(C)CC4)cc1)C1=C(CCC(C)(C)C1=O)O2 ZINC000103215089 KK Annotated Mild Cc1cc(-c2cc(Br)cc(Br)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C ZINC000103215293 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1F ZINC000103215389 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2Cl)cc1F ZINC000103215390 KK Annotated Anodyne N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000103215522 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)c2ccccc2Cl)c1-c1ccc(Cl)cc1 ZINC000103215527 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccccc2Cl)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103215652 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccc(Cl)cc2)c(C#N)c(-c2ccccc2O)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000103215655 KK Annotated Mild O=C(/C=C/c1ccccc1[N+](=O)[O-])N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103215693 KK Annotated Bother O=C(/C=C/c1ccccc1[N+](=O)[O-])N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103215694 KK Annotated Bother COc1ccc2[nH]cc(CCNc3nc(Nc4ccc(C#N)cc4)nc(Oc4cc(=O)n(C)c5ccccc45)n3)c2c1 ZINC000103215696 KK Annotated Mild CSc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000103215883 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(O[C@@H](C)CCC)cc1)C(NC1=CC=CCC1(OC)OC)=C1C(=O)OC(C)(C)OC1=O ZINC000103216034 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(O[C@@H](C)CCC)cc1)C(NC1=CC=CCC1(OC)OC)=C1C(=O)OC(C)(C)OC1=O ZINC000103216036 KK Annotated Anodyne COc1ccc([C@H]2S/C(=C\c3cccc(Br)c3)C(=O)N2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000103216051 KK Annotated Anodyne COc1ccc([C@@H]2S/C(=C\c3cccc(Br)c3)C(=O)N2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000103216052 KK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN(c4ccccc4F)CC3)n2)cc1C(F)(F)F ZINC000103216097 KK Annotated Mild CC(C)CCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103216101 KK Annotated Anodyne CC(C)CCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103216103 KK Annotated Anodyne Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2/N=C/c2ccc(Br)cc2)n1 ZINC000103216164 KK Annotated Mild CCN(C(=O)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2)c1ccc(Br)cc1 ZINC000103216314 KK Annotated Anodyne CCN(C(=O)C(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)OC12CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000103216316 KK Annotated Anodyne CC1(C)CCC2=C(C1=O)C(c1cccc(C3C4=C(CCC(C)(C)C4=O)OC4=C3C(=O)C(C)(C)CC4)c1)C1=C(CCC(C)(C)C1=O)O2 ZINC000103216454 KK Annotated Mild O=C1CCCC2=C1C(c1ccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)cc1)C1=C(CCCC1=O)O2 ZINC000103216456 KK Annotated Mild CCN(CC)C(=O)c1cccn1Cc1c(Br)c2cc(OC)c(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103216620 KK Annotated Bother CCN(CC)C(=O)[C@@H]1CCCN1Cc1c(Br)c2ccc(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103216630 KK Annotated Bother CCN(CC)C(=O)[C@H]1CCCN1Cc1c(Br)c2ccc(OC)cc2c2cc(OC)c(OC)cc12 ZINC000103216633 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1cc2ccccc2cc1O)N[C@@H](c1ccccc1)c1cc2ccccc2cc1O ZINC000103216636 KK Annotated Clean O=C(N[C@@H](c1ccccc1)c1cc2ccccc2cc1O)N[C@H](c1ccccc1)c1cc2ccccc2cc1O ZINC000103216638 KK Annotated Clean O=C(N[C@H](c1ccccc1)c1cc2ccccc2cc1O)N[C@H](c1ccccc1)c1cc2ccccc2cc1O ZINC000103216640 KK Annotated Clean Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1F ZINC000103216705 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(Cl)c2)cc1F ZINC000103216708 KK Annotated Anodyne C/C1=C\C[C@@H]2C[C@@H](C[C@]3(C[C@@H](O)[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)c2cc(C)c(O)cc2/C=C/C=C/[C@H](C)[C@@H]1O ZINC000103216893 KK Annotated Anodyne C/C1=C\C[C@@H]2C[C@@H](C[C@]3(C=C[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)c2cc(C)c(O)cc2/C=C/C=C/[C@H](C)[C@@H]1O ZINC000103216896 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CN3C(=O)c4cccc5c(NCCO)ccc(c45)C3=O)CCC[C@]21C ZINC000103216912 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CN3C(=O)c4cccc5c(NCCO)ccc(c45)C3=O)CCC[C@]21C ZINC000103216914 KK Annotated Anodyne CCCNc1ccc2c3c(cccc13)C(=O)N(C[C@@]1(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]13)C2=O ZINC000103216916 KK Annotated Anodyne CCCNc1ccc2c3c(cccc13)C(=O)N(C[C@@]1(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]13)C2=O ZINC000103216918 KK Annotated Anodyne CCCCNc1ccc2c3c(cccc13)C(=O)N(C[C@@]1(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]13)C2=O ZINC000103216920 KK Annotated Anodyne CCCCNc1ccc2c3c(cccc13)C(=O)N(C[C@@]1(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]13)C2=O ZINC000103216922 KK Annotated Anodyne CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1F ZINC000103217079 KK Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1F ZINC000103217081 KK Annotated Reactive Cc1cc(N(C)C)cc(C)c1NC(NCCCCCCCCc1ccc(C(C)(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103217091 KK Annotated Anodyne CC(C)CCOc1ccc(CCCCCCCCNC(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000103217100 KK Annotated Anodyne CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F ZINC000103217126 KK Annotated Reactive CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F ZINC000103217128 KK Annotated Reactive COc1ccc(NC(NCCCCCCCCc2ccc(CC(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000103217146 KK Annotated Anodyne COc1ccc([C@H]2S/C(=C\c3ccc(Cl)cc3)C(=O)N2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000103217188 KK Annotated Anodyne COc1ccc([C@@H]2S/C(=C\c3ccc(Cl)cc3)C(=O)N2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000103217191 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103217232 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(OCCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000103217233 KK Annotated Anodyne COc1ccc(/C=C2\S[C@@H](c3ccc(OC)cc3)N(NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000103217264 KK Annotated Anodyne COc1ccc(/C=C2\S[C@H](c3ccc(OC)cc3)N(NC(=O)c3ccc(-c4ccccc4)cc3)C2=O)cc1 ZINC000103217266 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCCCC3)n2)o1 ZINC000103217889 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000103217915 KK Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000103217917 KK Annotated Mild N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000103217921 KK Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000103217924 KK Annotated Mild N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)NC2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000103218287 KK Annotated Mild Cc1nn(-c2cccc(Cl)c2)c(S(=O)(=O)c2ccc(F)cc2)c1/C=N/OCc1ccc(Cl)nc1 ZINC000103218337 KK Annotated Mild Cc1ccc(S(=O)(=O)c2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000103218340 KK Annotated Mild COc1ccc(S(=O)(=O)c2c(/C=N/OCc3ccc(Cl)nc3)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000103218342 KK Annotated Mild Cc1nn(-c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(F)cc2)c1/C=N/OCc1ccc(Cl)nc1 ZINC000103218345 KK Annotated Mild Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(C(F)(F)F)cc2)cc1F ZINC000103218359 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(C(F)(F)F)cc2)cc1F ZINC000103218360 KK Annotated Anodyne Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2[N+](=O)[O-])cc1F ZINC000103218363 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2[N+](=O)[O-])cc1F ZINC000103218366 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1F ZINC000103218370 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1F ZINC000103218372 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000103218377 KK Annotated Bother Cc1ccc(N(C(=O)c2snnc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000103218379 KK Annotated Bother CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103218455 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@H]1c1ccc(Cl)cc1 ZINC000103218458 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@@H]1c1ccc(Br)cc1 ZINC000103218463 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@H]1c1ccc(Br)cc1 ZINC000103218465 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 ZINC000103218467 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@H]1c1ccc(Cl)cc1 ZINC000103218469 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@@H]1c1ccc(Br)cc1 ZINC000103218472 KK Annotated Anodyne CCOC(=O)C1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@H]1c1ccc(Br)cc1 ZINC000103218474 KK Annotated Anodyne O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103218476 KK Annotated Bother O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103218478 KK Annotated Bother O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103218480 KK Annotated Bother O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103218482 KK Annotated Bother CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)[C@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000103218548 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)[C@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000103218551 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@@H]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000103218555 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@H]2CCC[C@@H]2c2ccccc2)c(OC)c1 ZINC000103218559 KK Annotated Anodyne COc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1F ZINC000103218570 KK Annotated Mild C[C@@H](Cn1cnc2c(Sc3ccc4c(c3)CCO4)nc(N)nc21)OCP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000103218572 KK Annotated Anodyne C[C@H](Cn1cnc2c(Sc3ccc4c(c3)CCO4)nc(N)nc21)OCP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000103218574 KK Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(Cl)cc3)[C@H](C)C(=O)[C@H](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000103218729 KK Annotated Anodyne O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)c2ccccc2o1 ZINC000103219499 KK Annotated Anodyne O=c1cc(Oc2nc(Nc3ccccc3)nc(N3CCN(c4cccc(Cl)c4Cl)CC3)n2)c2ccccc2o1 ZINC000103219501 KK Annotated Anodyne CN(SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000103219517 KK Annotated Anodyne CN(SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000103219518 KK Annotated Anodyne CCCSSN(C(=O)c1ccc2c(c1C)O[C@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000103219595 KK Annotated Reactive CCCSSN(C(=O)c1ccc2c(c1C)O[C@@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000103219597 KK Annotated Reactive CCCCSSN(C(=O)c1ccc2c(c1C)O[C@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000103219599 KK Annotated Reactive CCCCSSN(C(=O)c1ccc2c(c1C)O[C@@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C ZINC000103219600 KK Annotated Reactive O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(COc2cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c2)cc1 ZINC000103219636 KK Annotated Anodyne O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Oc2cc(Cl)c(OC(F)(F)C(F)F)c(Cl)c2)c(Cl)c1 ZINC000103219638 KK Annotated Anodyne N#Cc1c(Br)c(C(F)(F)F)n(COC(=O)C(=O)Nc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000103219659 KK Annotated Mild O=C(/C=C/c1ccccc1O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103219752 KK Annotated Bother O=C(/C=C/c1ccccc1O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103219754 KK Annotated Bother O=C(/C=C/c1cccc(O)c1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103219757 KK Annotated Bother O=C(/C=C/c1cccc(O)c1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103219759 KK Annotated Bother O=C(/C=C/c1ccc(O)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000103219762 KK Annotated Bother O=C(/C=C/c1ccc(O)cc1)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000103219764 KK Annotated Bother COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000103220038 KK Annotated Clean CCOc1ccc(OCC)c(SC2=C(O)C[C@@](COc3cccc4ccccc34)(c3ccccc3)OC2=O)c1 ZINC000103220095 KK Annotated Anodyne CCOc1ccc(OCC)c(SC2=C(O)C[C@](COc3cccc4ccccc34)(c3ccccc3)OC2=O)c1 ZINC000103220097 KK Annotated Anodyne COc1ccc(Nc2nc3c(sc(=S)n3-c3ccc(Cl)c(Cl)c3)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000103220120 KK Annotated Anodyne COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc(Cl)cc2)cc1 ZINC000103220144 KK Annotated Clean O=C1NC(=O)C(=Cc2c(-c3ccccc3)n(CC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc23)C(=O)N1 ZINC000103220156 KK Annotated Clean Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000103220656 KK Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000103220659 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000103220761 KK Annotated Mild Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000103220763 KK Annotated Mild Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(/N=C/c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000103220766 KK Annotated Mild COc1ccc(/C=N/c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000103220769 KK Annotated Mild COc1ccc(/C=N/c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000103220772 KK Annotated Mild C[C@H](Oc1ccc(Cl)cc1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103220905 KK Annotated Mild C[C@@H](Oc1ccc(Cl)cc1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103220908 KK Annotated Mild C[C@H](Oc1cccc(Cl)c1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103220910 KK Annotated Mild C[C@@H](Oc1cccc(Cl)c1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103220913 KK Annotated Mild CCOP(=O)(OCC)O/C(=N\N=C1/C(=O)Nc2ccccc21)c1ccc(OP(=O)(OCC)OCC)cc1 ZINC000103221008 KK Annotated Mild COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000103221329 KK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000103221332 KK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000103221335 KK Annotated Clean Cc1nn(-c2ccccc2)c2nc(-n3[nH]c(=O)c(C#N)c3-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c12 ZINC000103221350 KK Annotated Mild Cc1nn(-c2ccccc2)c2nc(-n3[nH]c(=O)c(C#N)c3-c3cccs3)nc(-c3ccc(Cl)cc3)c12 ZINC000103221354 KK Annotated Mild COc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4OC)c(Nc4ccccc4OC)nc32)cc1 ZINC000103221388 KK Annotated Anodyne COc1ccc(Nc2nc3c(sc(=S)n3-c3ccccc3OC)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000103221391 KK Annotated Anodyne COc1ccccc1-n1c(=S)sc2c(=O)n(-c3c(C)cccc3C)c(Nc3c(C)cccc3C)nc21 ZINC000103221396 KK Annotated Anodyne COc1ccc(Nc2nc3c(sc(=S)n3-c3ccc(F)c(Cl)c3)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000103221399 KK Annotated Anodyne COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000103221402 KK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cccc([N+](=O)[O-])c2)cc1 ZINC000103221405 KK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccccc2[N+](=O)[O-])cc1 ZINC000103221407 KK Annotated Clean COc1ccc(Nc2nc3c(sc(=S)n3-c3ccc(Br)cc3)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000103221471 KK Annotated Anodyne COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2cccc(Cl)c2)cc1 ZINC000103221496 KK Annotated Clean COc1ccc(-c2cc(N3CCCC3)n(-c3cccc(Cl)c3)c(=O)c2/N=N/c2ccccc2Cl)cc1 ZINC000103221498 KK Annotated Clean COc1ccc(Nc2nc3c(sc(=S)n3-c3ccc(OC)cc3)c(=O)n2-c2ccc(OC)cc2)cc1 ZINC000103222012 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1F ZINC000103222220 KK Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc([N+](=O)[O-])c2)cc1F ZINC000103222223 KK Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2[N+](=O)[O-])cc1F ZINC000103222226 KK Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2[N+](=O)[O-])cc1F ZINC000103222229 KK Annotated Bother Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2C(F)(F)F)cc1Cl ZINC000103222232 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2C(F)(F)F)cc1Cl ZINC000103222237 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103222543 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000103222547 KK Annotated Mild COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2ccccc2Cl)cc1 ZINC000103222601 KK Annotated Clean C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103222686 KK Annotated Mild C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)OCn1c(-c2ccc(Cl)cc2)c(C#N)c(Br)c1C(F)(F)F ZINC000103222690 KK Annotated Mild Cc1cccc(O[C@@H](C)C(=O)OCn2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)c1 ZINC000103222693 KK Annotated Mild Cc1cccc(O[C@H](C)C(=O)OCn2c(-c3ccc(Cl)cc3)c(C#N)c(Br)c2C(F)(F)F)c1 ZINC000103222697 KK Annotated Mild O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccccc2)C1 ZINC000103223014 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccccc2)C1 ZINC000103223018 KK Annotated Anodyne COc1ccc(NC(NCCCCCCCCc2ccc(CCC(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)c(OC)c1 ZINC000103223083 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1F ZINC000103223875 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)cc1F ZINC000103223877 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2C(F)(F)F)cc1F ZINC000103223882 KK Annotated Anodyne Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2C(F)(F)F)cc1F ZINC000103223884 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCn3c([N+](=O)[O-])cnc3C)[C@H]21 ZINC000103224848 KK Annotated Bother COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCn3cnc4ccccc43)[C@H]21 ZINC000103224851 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCBr)[C@H]21 ZINC000103224860 KK Annotated Reactive CCN(CC)CCn1c2c(c3ccccc31)[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)OC)c1ccc(C(C)C)cc1-2 ZINC000103224866 KK Annotated Anodyne CCCN(CCC)CCn1c2c(c3ccccc31)[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)OC)c1ccc(C(C)C)cc1-2 ZINC000103224870 KK Annotated Anodyne CCCCN(CCCC)CCn1c2c(c3ccccc31)[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)OC)c1ccc(C(C)C)cc1-2 ZINC000103224874 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN(CCO)CCO)[C@H]21 ZINC000103224877 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CCCCC3)[C@H]21 ZINC000103224883 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CCNCC3)[C@H]21 ZINC000103224889 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCN3CCN(C)CC3)[C@H]21 ZINC000103224892 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCNc3ccc(C)cc3)[C@H]21 ZINC000103224895 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCNc3ccc(OC)cc3)[C@H]21 ZINC000103224898 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCNc3ccc(Cl)cc3)[C@H]21 ZINC000103224900 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCNc3ccc(Br)cc3)[C@H]21 ZINC000103224901 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCNc3ccc([N+](=O)[O-])cc3)[C@H]21 ZINC000103224903 KK Annotated Bother Cc1nc2ccncc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224988 KK Annotated Anodyne Cc1nc2ccncc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000103224990 KK Annotated Anodyne CCC[C@H](OC(=O)CCCCCCCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225194 KK Annotated Anodyne CCC[C@@H](OC(=O)CCCCCCCCCCO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O ZINC000103225195 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)NCCOC(=O)/N=c3/c[n+](-c4ccccc4)[nH]o3)c3cc(F)ccc32)cc1 ZINC000103225328 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000103225400 KK Annotated Anodyne COc1cc(C(=O)N(C(C)C)[C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225475 KK Annotated Anodyne COc1cc(C(=O)N(C(C)C)[C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)ccc1-n1cnc(C)c1 ZINC000103225477 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000103226382 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc3ncccc3c2)n1-c1cccc2ccccc12)Nc1nc2ccccc2s1 ZINC000103226746 KK Annotated Anodyne N#Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccc5ncccc5c4)n3-c3cccc4ccccc34)sc2c1 ZINC000103226751 KK Annotated Mild O=C(Cn1cc(-c2ccc(Cl)c(Cl)c2)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226819 KK Annotated Anodyne CCCCCc1ccc(-c2cn(CC(=O)N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)nn2)cc1 ZINC000103226823 KK Annotated Anodyne CC(=O)c1ccc(C)cc1OCc1cn(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)nn1 ZINC000103226831 KK Annotated Anodyne COc1ccc2cc(-c3cn(CC(=O)N4c5ccccc5Sc5ccc(C(F)(F)F)cc54)nn3)ccc2c1 ZINC000103226833 KK Annotated Anodyne O=C(Cn1cc(-c2cc3ccccc3c3ccccc23)nn1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000103226835 KK Annotated Bother CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226872 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC1=S ZINC000103226874 KK Annotated Anodyne COc1ccc(-n2nc(C)c3c2N(C)[C@@]2(C)C[C@@H]4[C@]5(C[C@@H]([C@H](C)c6c(C)nn(-c7ccc(OC)cc7)c6N5C)[C@@]34C)C2)cc1 ZINC000103228283 KK Annotated Anodyne CCN(CC)CCOc1ccc(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(C(C)=O)c(OC)c3)c2)c(C)c1 ZINC000103228627 KK Annotated Anodyne COc1cc(-c2cc(NC(=O)Nc3ccc(OCCCN(C)C)cc3C)cc(OC)c2OC)ccc1C(C)=O ZINC000103228630 KK Annotated Anodyne CCN(CC)CCOc1ccc(C)c(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(C(C)=O)c(OC)c3)c2)c1 ZINC000103228650 KK Annotated Anodyne COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN(C)C)cc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000103228668 KK Annotated Mild CCN(CC)CCOc1ccc(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(/C(C)=N/O)c(OC)c3)c2)c(C)c1 ZINC000103228671 KK Annotated Mild COc1cc(-c2cc(NC(=O)Nc3ccc(OCCCN(C)C)cc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000103228677 KK Annotated Mild Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ccc(Br)cn1)C2 ZINC000103228800 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229626 KK Annotated Anodyne COCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229629 KK Annotated Anodyne C[C@H](OC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl)c1ccccc1 ZINC000103229631 KK Annotated Anodyne C[C@@H](OC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl)c1ccccc1 ZINC000103229634 KK Annotated Anodyne O=C(OC1Cc2ccccc2C1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229636 KK Annotated Anodyne CN(C)CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229639 KK Annotated Anodyne CN(C)CCCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229642 KK Annotated Anodyne C[C@@H](CN(C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229644 KK Annotated Anodyne C[C@H](CN(C)C)OC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2[nH]cnc2cc1Cl ZINC000103229646 KK Annotated Anodyne COc1cc(-c2nnc(-c3c(-c4cc(OC)c(OC)c(OC)c4)nn(-c4ccccc4)c3C)o2)cc(OC)c1OC ZINC000103229668 KK Annotated Anodyne Cc1cc([C@@H]2C[C@@H]2[C@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O ZINC000103229934 KK Annotated Anodyne Cc1cc([C@@H]2C[C@H]2[C@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O ZINC000103229940 KK Annotated Anodyne Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103230102 KK Annotated Anodyne Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103230105 KK Annotated Anodyne Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230112 KK Annotated Anodyne Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230115 KK Annotated Anodyne COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(F)cc3)N1[C@@H]2c1ccccc1OC ZINC000103230117 KK Annotated Anodyne COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(F)cc3)N1[C@H]2c1ccccc1OC ZINC000103230118 KK Annotated Anodyne Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230125 KK Annotated Anodyne Fc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230127 KK Annotated Anodyne Clc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230139 KK Annotated Anodyne Clc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230141 KK Annotated Anodyne COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(Cl)cc3)N1[C@@H]2c1ccccc1OC ZINC000103230143 KK Annotated Anodyne COc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccc(Cl)cc3)N1[C@H]2c1ccccc1OC ZINC000103230145 KK Annotated Anodyne Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000103230153 KK Annotated Anodyne Clc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(Cl)cc2)cc1 ZINC000103230156 KK Annotated Anodyne Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(F)cc2)cc1 ZINC000103230159 KK Annotated Anodyne Fc1ccc(/C=C2\CNCC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(F)cc2)cc1 ZINC000103230160 KK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@H](c4ccccc4Cl)N23)cc1 ZINC000103230167 KK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4Cl)[C@@H](c4ccccc4Cl)N23)cc1 ZINC000103230169 KK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4OC)[C@H](c4ccccc4OC)N23)cc1 ZINC000103230171 KK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccccc4OC)[C@@H](c4ccccc4OC)N23)cc1 ZINC000103230175 KK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230182 KK Annotated Anodyne COc1ccc(C2=CSC3=NC4=C(CNC/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000103230184 KK Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(-n4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cn4)ccc(c23)C1=O ZINC000103230294 KK Annotated Anodyne Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(NC3CCN(Cc4ccc(S(C)(=O)=O)cc4)CC3)c2)c(C)c1 ZINC000103230426 KK Annotated Bother Cc1cc(C)c(Oc2ccc([N+](=O)[O-])c(NC3CCN(Cc4ccc(S(N)(=O)=O)cc4)CC3)c2)c(C)c1 ZINC000103230430 KK Annotated Bother Clc1ccccc1C(c1ccccc1Cl)N1[C@H]2CC[C@@H]1C[C@H](c1ncccc1CN1CCCCC1)C2 ZINC000103230673 KK Annotated Anodyne Clc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccccc3)N1[C@H]2c1ccccc1Cl ZINC000103231046 KK Annotated Anodyne Clc1ccccc1/C=C1\CNCC2=C1N=C1SC=C(c3ccccc3)N1[C@@H]2c1ccccc1Cl ZINC000103231047 KK Annotated Anodyne CC(C)(C)C(=O)Nc1nnc(-c2ccc(N3CCC(c4ccc(C(F)(F)F)cc4)CC3)c([N+](=O)[O-])c2)s1 ZINC000103231242 KK Annotated Bother CCc1ccc(CCOc2ccc(/C=C3\OC(=O)C(Br)=C3Br)cc2OC)nc1 ZINC000103231875 KK Annotated Anodyne CCOc1cc(/C=C2\OC(=O)C(Br)=C2Br)ccc1OCCc1ccc(CC)cn1 ZINC000103231880 KK Annotated Anodyne COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000103232658 KK Annotated Reactive COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000103232660 KK Annotated Reactive NC(=O)c1c(F)ccc(O[C@@H](c2cccnc2)c2nc(-c3ccc(Cl)cc3)c(Br)o2)c1F ZINC000103232910 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](c2cccnc2)c2nc(-c3ccc(Cl)cc3)c(Br)o2)c1F ZINC000103232911 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](CCO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232915 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](CCO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232917 KK Annotated Anodyne CN(C)CC[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232919 KK Annotated Anodyne CN(C)CC[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232920 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](CCCO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232922 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](CCCO)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232925 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](CCC(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232929 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](CCC(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232930 KK Annotated Anodyne CC(=O)OC[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232945 KK Annotated Anodyne CC(=O)OC[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(C(F)(F)F)cc2)c(Br)o1 ZINC000103232946 KK Annotated Anodyne Cc1nnc(C[C@H](Oc2ccc(F)c(C(N)=O)c2F)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)o1 ZINC000103232949 KK Annotated Anodyne Cc1nnc(C[C@@H](Oc2ccc(F)c(C(N)=O)c2F)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)o1 ZINC000103232954 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](COC(=O)CCC(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232964 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](COC(=O)CCC(=O)O)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000103232965 KK Annotated Anodyne CCOc1cc(CN2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc(OCC)c1OCC ZINC000103233662 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N(Cc3cc(OC(C)C)c(OC(C)C)c(OC(C)C)c3)C2=O)cc1OC ZINC000103233664 KK Annotated Anodyne C=CCOc1cc(CN2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3ccc(OC)c(OC)c3)C2=O)cc(OCC=C)c1OCC=C ZINC000103233666 KK Annotated Mild C=C(Br)C(=O)Nc1cc(OC)c2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000103233946 KK Annotated Anodyne CCN(Cc1ccc(C)cc1)C(=O)C1CCN(CCCN(C(=O)C2CCN(C(C)=O)CC2)c2cccc(Cl)c2)CC1 ZINC000103234223 KK Annotated Anodyne C[C@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(OC(F)(F)F)cc2)c(Br)o1 ZINC000103234493 KK Annotated Anodyne C[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c1nc(-c2ccc(OC(F)(F)F)cc2)c(Br)o1 ZINC000103234495 KK Annotated Anodyne Cc1cc2c(cc1C)C(Cl)=C(/C=C1\SC(=O)N(CC(=O)c3ccc(Br)cc3)C1=O)CCC2 ZINC000103234636 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1c2ccccc2cc2ccccc12 ZINC000103236048 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1c2ccccc2cc2ccccc12 ZINC000103236050 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(Br)cc1 ZINC000103236052 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccc(Br)cc1 ZINC000103236055 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Br ZINC000103236059 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Br ZINC000103236062 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Br)c1 ZINC000103236064 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Br)c1 ZINC000103236066 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Cl)c1 ZINC000103236083 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1cccc(Cl)c1 ZINC000103236084 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Cl ZINC000103236088 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O)c1ccccc1Cl ZINC000103236089 KK Annotated Clean CCCCCCCCCCCCCCCCCC(=O)OC1=C(CC=C(C)C)C(=O)c2ccccc2C1=O ZINC000103236155 KK Annotated Mild Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O ZINC000103236169 KK Annotated Reactive Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@]1(C)O3)C2=O ZINC000103236171 KK Annotated Reactive CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000103236175 KK Annotated Reactive Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Br)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@]1(C)O3)C2=O ZINC000103236178 KK Annotated Reactive Cc1c(O)cc2c(c1O)C(=O)[C@H]1C[C@@H](Br)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Br)CC[C@]1(C)O)C2=O ZINC000103236181 KK Annotated Reactive COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000103236516 KK Annotated Reactive O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1NC2=C(CCC/C2=C\c2ccco2)[C@@H]1c1ccco1 ZINC000103236768 KK Annotated Anodyne C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O ZINC000103236897 KK Annotated Reactive O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)NC1=S ZINC000103237150 KK Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)NC1=S ZINC000103237151 KK Annotated Anodyne C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103237561 KK Annotated Anodyne C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103237564 KK Annotated Anodyne C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103237566 KK Annotated Anodyne C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103237569 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3OC)cn12 ZINC000103238489 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)c(OC)cc3C)cn12 ZINC000103238491 KK Annotated Anodyne CCNc1cc2oc(-c3ccc(F)cc3)c(-c3ncc[nH]3)c2c(F)c1-c1cc(C(=O)NC2(c3ncccn3)CC2)c(OC)cc1C ZINC000103238493 KK Annotated Anodyne COc1cc(C)c(-c2ccc3oc(-c4ccc(F)cc4)c(-c4ncc[nH]4)c3c2F)cc1C(=O)NC1(c2ncccn2)CC1 ZINC000103238496 KK Annotated Anodyne CCCCn1cc[n+](Cc2ccc(O)c(/C=N/[C@@H]3CCCC[C@H]3/N=C/c3cc(C[n+]4ccn(CCCC)c4)ccc3O)c2)c1 ZINC000103238962 KK Annotated Mild Cc1[nH]cc[n+]1Cc1cc(/C=N/[C@@H]2CCCC[C@H]2/N=C/c2cc(C[n+]3cc[nH]c3C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 ZINC000103238965 KK Annotated Mild CCn1cc[n+](Cc2cc(/C=N/[C@@H]3CCCC[C@H]3/N=C/c3cc(C[n+]4ccn(CC)c4)cc(C(C)(C)C)c3O)c(O)c(C(C)(C)C)c2)c1 ZINC000103238968 KK Annotated Mild CCCC[P+](CCCC)(CCCC)CCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 ZINC000103239177 KK Annotated Reactive O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000103239185 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCCCNC(=O)CC1CCC2(CC1)OOC1(CCCCC1)OO2 ZINC000103239187 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCCCCNC(=O)CC1CCC2(CC1)OOC1(CCCCC1)OO2 ZINC000103239190 KK Annotated Reactive CC1(CCC(=O)NCc2cccc(CNC(=O)CCC3(C)OOC4(CCCCC4)OO3)c2)OOC2(CCCCC2)OO1 ZINC000103239202 KK Annotated Reactive CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](c4cc5c(cc4O)NC4=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]45[C@@H]76)C1)[C@@H]32 ZINC000103240073 KK Annotated Clean CC1=C[C@]2(O)[C@@H](CC[C@H]3C(C)(C)C(=O)CC[C@@]32C)[C@@](C)(CCC(=O)[C@H](C)CC/C=C(\C)C(=O)O)C1=O ZINC000103240292 KK Annotated Mild CN(C)CCCCCCN(C)C1=Nc2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000103240408 KK Annotated Anodyne CN(C)CCCCCCN(C)C1=Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000103240411 KK Annotated Anodyne COc1ccccc1C(=O)Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3s2)cc1=O ZINC000103240477 KK Annotated Anodyne C[C@@]1(c2cccc(C#N)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1 ZINC000103240786 KK Annotated Mild C[C@]1(c2cccc(C#N)c2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1 ZINC000103240794 KK Annotated Mild CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C/C(=O)O1)=C\CN(C)C ZINC000103240924 KK Annotated Anodyne CC(/C=C/CCCO)=C\[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O[C@@H](C)C/C(C)=C/C#CC(=O)O1 ZINC000103240939 KK Annotated Mild COCCC/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O[C@@H](C)C/C(C)=C/C#CC(=O)O1 ZINC000103240941 KK Annotated Mild C/C=C/C=C/C[C@@H]1C/C=C/C=C(C)/C=C/C=C\[C@@H](OC(C)=O)[C@@H](OC(C)=O)/C=C(C)/C=C/C=C/C(=O)N1 ZINC000103241627 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OCC ZINC000103241640 KK Annotated Mild C/C(=C\c1ccc2nc(C3(NC(=O)c4ccc5c(C6CCCC6)c(-c6cccc7cc(C)[nH]c67)n(C)c5c4)CCC3)n(C)c2c1)C(=O)O ZINC000103241665 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)/C=C/c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000103241669 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H]1C ZINC000103241675 KK Annotated Mild O=C1CCC[C@@H]2C[C@H](C[C@](O)(CCc3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000103241700 KK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000103242520 KK Annotated Mild CCOC(=O)CC[C@@]1(C)[C@H]([C@@](C)(O)CO)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]12C ZINC000103242527 KK Annotated Anodyne CCOC(=O)CC[C@@]1(C)[C@H]([C@@](C)(O)CO)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]12C ZINC000103242529 KK Annotated Anodyne CCOC(=O)CC[C@@]1(C)[C@H]([C@](C)(O)CO)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]12C ZINC000103242531 KK Annotated Anodyne CCOC(=O)CC[C@@]1(C)[C@H]([C@](C)(O)CO)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]12C ZINC000103242533 KK Annotated Anodyne CCCN(C(=O)N[C@@H](CSCc1ccccc1-c1ccccc1)C(=O)O)C(=O)c1cccc(C#Cc2ccccc2)c1 ZINC000103242654 KK Annotated Mild CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccc(Oc3ccccc3)cc2)c1 ZINC000103242674 KK Annotated Mild CCCN(C(=O)N[C@@H](CSCC(C)C)C(=O)O)C(=O)c1cccc(C#Cc2ccc(C(C)(C)C)cc2)c1 ZINC000103242676 KK Annotated Mild C=C/C=C/C/C(I)=C\CC#CC/C=C\C/C(I)=C\CCCC(=O)OC ZINC000103243355 KK Annotated Mild CCOC(=O)C(C)(C)Oc1ccc(N(Cc2cccc(F)c2)C(=O)Nc2nc3ccccc3s2)cc1 ZINC000103243962 KK Annotated Anodyne CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@H]1c1ccccc1 ZINC000103245182 KK Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@H]1c1ccccc1 ZINC000103245183 KK Annotated Mild CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@@H]1c1ccccc1 ZINC000103245186 KK Annotated Mild CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(I)cc2I)C[C@@H]1c1ccccc1 ZINC000103245188 KK Annotated Mild CN(CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)[C@H]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000103245787 KK Annotated Anodyne CN(CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)[C@H]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000103245790 KK Annotated Anodyne O=[S@@](CCNCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000103246696 KK Annotated Anodyne O=[S@](CCNCCCc1ccccc1)C(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000103246699 KK Annotated Anodyne Brc1ccc(C(SCCNCCCc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000103246759 KK 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)N([C@@H]2C(C)=CC[C@@H]3CCCC[C@@H]32)C(=O)[C@H]41 ZINC000103250036 KK 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)N([C@@H]2C(C)=CC[C@H]3CCCC[C@H]23)C(=O)[C@H]41 ZINC000103250039 KK 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)N([C@@H]2C(C)=CC[C@@H]3CCCC[C@H]32)C(=O)[C@H]41 ZINC000103250041 KK 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)N([C@@H]2C(C)=CC[C@H]3CCCC[C@@H]23)C(=O)[C@H]41 ZINC000103250044 KK Annotated Anodyne CC1=CC[C@@H]2CCCC[C@@H]2[C@@H]1N1C(=O)[C@@H]2[C@@H]3C[C@H]4[C@](C=C3C(C)C)(CC[C@H]3[C@](C)(C(=O)O)CCC[C@]43C)[C@@H]2C1=O ZINC000103250048 KK Annotated Anodyne CC1=CC[C@@H]2CCCC[C@H]2[C@@H]1N1C(=O)[C@@H]2[C@@H]3C[C@H]4[C@](C=C3C(C)C)(CC[C@H]3[C@](C)(C(=O)O)CCC[C@]43C)[C@@H]2C1=O ZINC000103250052 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250404 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250406 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250408 KK Annotated Reactive COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250410 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250412 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250415 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250417 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000103250419 KK Annotated Reactive Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CCC5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250482 KK Annotated Anodyne COC1CCN(C(=O)c2ccc(Nc3cc4c(cn3)cc(-c3cnn(C)c3)n4C(=O)OC(C)(C)C)c(Cl)c2)CC1 ZINC000103250485 KK Annotated Anodyne CN(C)C1CCN(C(=O)c2ccc(Nc3cc4c(cn3)cc(-c3cnn(C)c3)n4C(=O)OC(C)(C)C)c(Cl)c2)CC1 ZINC000103250487 KK Annotated Anodyne Cn1cc(-c2ccc(Nc3cc4c(cn3)cc(-c3cnn(C)c3)n4C(=O)OC(C)(C)C)c(Cl)c2)cn1 ZINC000103250495 KK Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4ccc(-c5ccn(C)n5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250501 KK Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4ccc(-c5cccnc5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250511 KK Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4ccc(-c5cnccn5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250514 KK Annotated Anodyne Cn1cc(-c2cc3cnc(Nc4ccc(-c5cncnc5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1 ZINC000103250517 KK Annotated Anodyne CCC(CC)CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OCC(=O)O)c(NC(=O)C(CC)CC)c1 ZINC000103250991 KK Annotated Clean Clc1c(-c2ccc(-c3[nH]c4cc(C5=NCCN5)ccc4c3Cl)cc2)[nH]c2cc(C3=NCCN3)ccc12 ZINC000103251419 KK Annotated Anodyne Brc1c(-c2ccc(-c3[nH]c4cc(C5=NCCN5)ccc4c3Br)cc2)[nH]c2cc(C3=NCCN3)ccc12 ZINC000103251421 KK Annotated Anodyne C[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](C)CN7)cc6[nH]5)cc4)[nH]c3c2)NC1 ZINC000103251429 KK Annotated Anodyne F[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](F)CN7)cc6[nH]5)cc4)[nH]c3c2)NC1 ZINC000103251438 KK Annotated Anodyne CC1(C)CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(C)(C)CN7)cc6[nH]5)cc4)[nH]c3c2)NC1 ZINC000103251441 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CNC(=N)N3CCc3cccc(F)c3)C[C@H]2Cc2ccccc2)CC1 ZINC000103251652 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CNC(=N)N3CCc3cccc(F)c3)C[C@H]2CC2CCCCC2)CC1 ZINC000103251655 KK Annotated Anodyne CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N ZINC000103251658 KK Annotated Mild CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CC2CCC(C(C)(C)C)CC2)C1=N ZINC000103251661 KK Annotated Mild CC(C)CCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CC2CCC(C(C)(C)C)CC2)C1=N ZINC000103251665 KK Annotated Anodyne CC(C)CCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CC2CCC(C(C)(C)C)CC2)C1=N ZINC000103251672 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](Cc3ccccc3)N(CCc3cccc(Br)c3)C2=N)N1CCc1cccc(F)c1 ZINC000103251676 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](CC3CCCCC3)N(CCc3cccc(Br)c3)C2=N)N1CCc1cccc(F)c1 ZINC000103251684 KK Annotated Anodyne CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=N ZINC000103251691 KK Annotated Mild CCCCCCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CCc2cccc(Br)c2)C1=N ZINC000103251694 KK Annotated Mild CC(C)CCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](Cc2ccccc2)N(CCc2cccc(Br)c2)C1=N ZINC000103251697 KK Annotated Anodyne CC(C)CCCN1C(=N)NC[C@@H]1CCCCN1C[C@@H](CC2CCCCC2)N(CCc2cccc(Br)c2)C1=N ZINC000103251699 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CNC(=N)N3CCc3cccnc3)C[C@H]2Cc2ccccc2)CC1 ZINC000103251704 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CNC(=N)N3CCc3cccnc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000103251707 KK Annotated Anodyne Cc1ccccc1COC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2F)c2cc(Cl)c(N)cc2c1=O ZINC000103251819 KK Annotated Anodyne Cc1ccc(COC(=O)c2cn(Cc3ccc(C(F)(F)F)cc3F)c3cc(Cl)c(N)cc3c2=O)cc1 ZINC000103251821 KK Annotated Anodyne CCCC[P+](CCCC)(CCCC)Cc1nc(C)c2c(c1C[P+](CCCC)(CCCC)CCCC)COC(C)(C)O2 ZINC000103252244 KK Annotated Mild Cc1nc2c(c3c1OC(C)(C)OC3)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2 ZINC000103252246 KK Annotated Reactive CCCC[P+](CCCC)(CCCC)Cc1nc(C)c(O)c(CO)c1C[P+](CCCC)(CCCC)CCCC ZINC000103252248 KK Annotated Mild Cc1nc2c(c(CO)c1O)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2 ZINC000103252251 KK Annotated Reactive CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@@H]3CNC(=N)N3CCc3cccnc3)C[C@H]2Cc2ccccc2)CC1 ZINC000103252555 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CNC(=N)N3CCc3cccnc3)C[C@H]2CC2CCCCC2)CC1 ZINC000103252561 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@H]3CNC(=N)N3CCc3cccnc3)C[C@@H]2CC2CCCCC2)CC1 ZINC000103252566 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCCC[C@@H]3CNC(=N)N3CCc3cccnc3)C[C@H]2CC2CCCCC2)CC1 ZINC000103252570 KK Annotated Anodyne CC(C)(C)C(=O)OCn1cnc2cc(F)c(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4c5occc5c(F)cc43)cc2c1=O ZINC000103252895 KK Annotated Anodyne CC(C)(C)C(=O)OCn1cccc(-c2c(C(=O)O)n(Cc3cc4c(=O)[nH]cnc4cc3F)c3cc(F)c4ccoc4c23)c1=O ZINC000103252899 KK Annotated Anodyne CCC(CC)C(=O)Nc1cc(N(Cc2cccs2)C(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)O ZINC000103253663 KK Annotated Clean O=C(Nc1cccc(-c2ccccc2)n1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000103253783 KK Annotated Anodyne O=C(Nc1nnc(-c2ccccc2)s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000103253788 KK Annotated Anodyne O=C(Nc1nc(-c2ccccc2)ns1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000103253794 KK Annotated Anodyne O=C(Nc1nc(-c2ccccc2)c(F)s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000103253799 KK Annotated Anodyne CS(=O)(=O)c1sc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)nc1-c1ccccc1 ZINC000103253801 KK Annotated Anodyne O=C(Nc1nc(-c2ccccc2)c(Cl)s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000103253804 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103253991 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254004 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254009 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254010 KK Annotated Anodyne COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254012 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ncc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254046 KK Annotated Anodyne CCOc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000103255249 KK Annotated Anodyne CCOc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)[C@@H]1C(=O)N1CCOCC1 ZINC000103255251 KK Annotated Anodyne CCOc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000103255253 KK Annotated Anodyne CCOc1ccccc1C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)[C@H]1C(=O)N1CCOCC1 ZINC000103255256 KK Annotated Anodyne CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)O ZINC000103255458 KK Annotated Bother Nc1cc2c(=O)c(C(=O)OCc3ccc(Cl)cc3)cn(Cc3ccc(Cl)cc3)c2cc1N1CCN(c2ccccn2)CC1 ZINC000103255750 KK Annotated Anodyne COc1ccc2c(c1)C=C1CN(C)CCCCN(C)S(=O)(=O)NC(=O)c3ccc4c(C5CCCCC5)c-2n(c4c3)C1 ZINC000103255759 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3cc(Br)ccc3O)n(Cc3cc(Br)ccc3O)c2c1 ZINC000103256015 KK Annotated Clean O=C(O)Cc1cnc(C(=O)c2ccc(NC(=O)OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 ZINC000103256240 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12 ZINC000103256660 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cn12 ZINC000103256663 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccn5)CC4)c3)cn12 ZINC000103256665 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC4(c5ccccc5)CC4)c3)cn12 ZINC000103256667 KK Annotated Anodyne N#Cc1ccc(Nc2cc(Nc3c(F)cc(Br)cc3Br)c([N+](=O)[O-])cn2)cc1 ZINC000103256941 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000103257607 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Cl)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000103257629 KK Annotated Reactive CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000103257631 KK Annotated Reactive CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](I)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000103257634 KK Annotated Reactive CCCS(=O)(=O)N(CC)c1cccc2/c(=N\CC)cc3sc4cc(N(CC)CC)ccc4nc-3c12 ZINC000103257743 KK Annotated Bother CCCS(=O)(=O)N(CC)c1cccc2c3nc4ccc(N(CC)CC)cc4sc-3c/c(=N\CC)c12 ZINC000103257745 KK Annotated Bother COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2cc(C)ccc2F)c1 ZINC000103258212 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)[C@@]1(O)Cc1cccc(Cl)c1 ZINC000103259318 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)[C@]1(O)Cc1cccc(Cl)c1 ZINC000103259320 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)[C@@]1(O)Cc1ccc(Br)cc1 ZINC000103259322 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)[C@]1(O)Cc1ccc(Br)cc1 ZINC000103259324 KK Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)[C@@]1(O)Cc1ccccc1Br ZINC000103259333 KK Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)[C@]1(O)Cc1ccccc1Br ZINC000103259336 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C\c1cccc(Cl)c1 ZINC000103259345 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C\c1ccc(Br)cc1 ZINC000103259348 KK Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C\c1ccccc1Br ZINC000103259358 KK Annotated Anodyne Cc1nc2cccnc2n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000103259448 KK Annotated Anodyne Cc1cc(-c2nnc(N[C@@H]3C[C@@](O)(C(F)F)C3)o2)nc2c(C(C)(C)C)cc(OCC(F)(F)F)cc12 ZINC000103259531 KK Annotated Anodyne O=C(Cn1c(-c2cc3ccc(Br)cc3[nH]2)cc2cc(Br)ccc21)N1CCOCC1 ZINC000103259866 KK Annotated Anodyne CN1CCN(CCn2c(-c3cc4ccc(Br)cc4[nH]3)cc3cc(Br)ccc32)CC1 ZINC000103259870 KK Annotated Anodyne Brc1ccc2c(c1)cc(-c1cc3ccc(Br)cc3[nH]1)n2CCN1CCOCC1 ZINC000103259872 KK Annotated Anodyne Brc1cc2cc(-c3cc4cc(Br)c(Br)cc4[nH]3)[nH]c2cc1Br ZINC000103259959 KK Annotated Anodyne C=CCn1c(C)nc2ccc(Nc3nc(Nc4ccc5nc(C)n(CC=C)c5c4)c4ccccc4n3)cc21 ZINC000103260271 KK Annotated Mild C=CCn1c(C)nc2cc(Nc3nc(Nc4ccc5nc(C)n(CC=C)c5c4)c4ccccc4n3)ccc21 ZINC000103260273 KK Annotated Mild C=CCn1c(C)nc2cc(Nc3nc(Nc4ccc5nc(C)n(CC=C)c5c4)nc4ccccc34)ccc21 ZINC000103260281 KK Annotated Mild Cc1ccc(CNc2ncnc3c2ncn3[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5NC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)O2)cc1 ZINC000103260344 KK Annotated Anodyne O=C(N1CCC[C@@](Oc2ccc(C(F)(F)F)cc2)(C(=O)NCCc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000103260741 KK Annotated Anodyne O=C(N1CCC[C@](Oc2ccc(C(F)(F)F)cc2)(C(=O)NCCc2ccccc2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000103260743 KK Annotated Anodyne COc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1NC(C)=O ZINC000103260866 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccccc1Cl)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103260885 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103260897 KK Annotated Mild O=C(NC1CCCCC1)[C@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000103260974 KK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000103260975 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1)c1ccccc1 ZINC000103260979 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1)c1ccccc1 ZINC000103260983 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C(=O)NC2CCCCC2)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103260986 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC2CCCCC2)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103260989 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C(=O)NC(C)(C)C)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103260993 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC(C)(C)C)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103260995 KK Annotated Anodyne CCCCc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C(=O)NC(C)(C)C)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103261003 KK Annotated Anodyne CCCCc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC(C)(C)C)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103261005 KK Annotated Anodyne COc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC(C)(C)C)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103261008 KK Annotated Anodyne COc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C(=O)NC(C)(C)C)c2cc(=O)c(OCc3ccccc3)co2)cc1 ZINC000103261011 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000103261013 KK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000103261015 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000103261017 KK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1cc(=O)c(OCc2ccccc2)co1)N(C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000103261020 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1cc(=O)cc(-c2ccccc2)o1)N(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000103261022 KK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1cc(=O)cc(-c2ccccc2)o1)N(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000103261024 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C(=O)NC2CCCCC2)c2cc(=O)cc(-c3ccccc3)o2)cc1 ZINC000103261027 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC2CCCCC2)c2cc(=O)cc(-c3ccccc3)o2)cc1 ZINC000103261029 KK Annotated Anodyne COc1ccc(N(C(=O)c2ccccc2Cl)[C@H](C(=O)NC2CCCCC2)c2cc(=O)cc(-c3ccccc3)o2)cc1 ZINC000103261036 KK Annotated Anodyne COc1ccc(N(C(=O)c2ccccc2Cl)[C@@H](C(=O)NC2CCCCC2)c2cc(=O)cc(-c3ccccc3)o2)cc1 ZINC000103261037 KK Annotated Anodyne CCN(CC)c1nc(Cl)nc2c1ncn2[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)O1 ZINC000103261056 KK Annotated Anodyne Nc1nn(Cc2cn(-c3cccc(C(F)(F)F)c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261107 KK Annotated Anodyne Nc1nn(Cc2cn(-c3ccc(Br)c(F)c3)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000103261117 KK Annotated Anodyne Cc1c(Br)cccc1-n1cc(Cn2nc(N)c3c(C(F)(F)F)cc(-c4ccccc4)nc32)nn1 ZINC000103261121 KK Annotated Anodyne Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3cc(F)cc(F)c3[nH]2)c2ccc(Cl)cn2)c1 ZINC000103261149 KK Annotated Mild Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3cc(F)ccc3[nH]2)c2ccc(Cl)cn2)c1 ZINC000103261151 KK Annotated Anodyne Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccccc3[nH]2)c2ccc(Cl)cn2)c1 ZINC000103261154 KK Annotated Anodyne Cc1sc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)nc1C(F)(F)F ZINC000103261156 KK Annotated Mild Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1 ZINC000103261160 KK Annotated Anodyne Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(OC(F)(F)C(F)F)c2)c2ccc(Cl)cn2)sc1C ZINC000103261163 KK Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3Br)nc3ccc(Cl)cc32)c1 ZINC000103261702 KK Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc3ccc(Cl)cc32)c1 ZINC000103261708 KK Annotated Bother Cc1cc(C)cc(S(=O)(=O)n2c(SCC(=O)Nc3ccc(C)cc3Cl)nc3ccc(Cl)cc32)c1 ZINC000103261717 KK Annotated Anodyne COC(=O)c1ccc(NC(=O)CSc2nc3ccc(Cl)cc3n2S(=O)(=O)c2cc(C)cc(C)c2)c(Cl)c1 ZINC000103261727 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C/c1cccc(Cl)c1 ZINC000103262035 KK Annotated Anodyne COc1ccc(Br)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C/c1ccc(Br)cc1 ZINC000103262038 KK Annotated Anodyne COc1ccc(Cl)cc1C1=C(Br)C(=O)N(CC(C)C)/C1=C/c1ccccc1Br ZINC000103262045 KK Annotated Anodyne Fc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)no4)cc-3n2)c1 ZINC000103262219 KK Annotated Mild CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(Cc3ccc(C(=O)O)cc3)S(C)(=O)=O)c(C3CC3)cc12 ZINC000103262394 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(CN(c2cc3oc(-c4ccc(F)cc4)c(C(=O)NC)c3cc2C2CC2)S(C)(=O)=O)cc1 ZINC000103262402 KK Annotated Anodyne O=C(Nc1ccccn1)c1cccc(Oc2ccc3c(c2)c(=O)ncn3Cc2c(F)cc(F)cc2F)c1C(F)(F)F ZINC000103262411 KK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4ccc5[nH]ccc5c4)c3C(F)(F)F)cc12 ZINC000103262415 KK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4ccc5[nH]cnc5c4)c3C(F)(F)F)cc12 ZINC000103262417 KK Annotated Anodyne CN(C)c1cc[n+](Cc2ccc(-c3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1 ZINC000103262577 KK Annotated Anodyne Cc1cc(C)cc(S(=O)(=O)n2c(SCC(=O)Nc3ccc(S(C)(=O)=O)cc3Cl)nc3ccc(Cl)cc32)c1 ZINC000103262641 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@H](c1cccc3ccccc13)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000103262856 KK Annotated Mild O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4ccc5cc[nH]c5c4)c3C(F)(F)F)cc12 ZINC000103263168 KK Annotated Anodyne Nc1ccc(-c2cccc(Oc3ccc4c(c3)c(=O)ncn4Cc3c(F)cc(F)cc3F)c2C(F)(F)F)cn1 ZINC000103263172 KK Annotated Anodyne Cc1ccc(-c2cccc(Oc3ccc4c(c3)c(=O)ncn4Cc3c(F)cc(F)cc3F)c2C(F)(F)F)cn1 ZINC000103263175 KK Annotated Anodyne Cc1cc(-c2cccc(Oc3ccc4c(c3)c(=O)ncn4Cc3c(F)cc(F)cc3F)c2C(F)(F)F)cnc1N ZINC000103263179 KK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4ccccc4)c3C(F)(F)F)cc12 ZINC000103263183 KK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3ccc(-c4nc5ncccc5o4)cc3)cc12 ZINC000103263191 KK Annotated Anodyne c1ccc2c(CNc3ccc(Oc4ccc(NCc5c6ccccc6cc6ccccc56)cc4)cc3)c3ccccc3cc2c1 ZINC000103263289 KK Annotated Bother C(=N/c1ccc(Oc2ccc(/N=C/c3cc4ccccc4c4ccccc34)cc2)cc1)\c1cc2ccccc2c2ccccc12 ZINC000103263300 KK Annotated Mild O=S(=O)(c1ccc(Cl)cc1)N1CCCc2ccc(Oc3cc(-c4nc(CC5CC5)no4)cc(Cl)n3)cc21 ZINC000103263417 KK Annotated Anodyne CC[C@](O)(C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21)c1cncn1C ZINC000103263803 KK Annotated Anodyne CC[C@@](O)(C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21)c1cncn1C ZINC000103263806 KK Annotated Anodyne Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000103263808 KK Annotated Mild Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263823 KK Annotated Anodyne Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263825 KK Annotated Anodyne Cn1cncc1[C@@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCC3)CC2)c2ccc(Cl)cc21 ZINC000103263828 KK Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000103263830 KK Annotated Mild Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3c(s2)CCC3)c2ccc(Cl)cn2)c1 ZINC000103264058 KK Annotated Anodyne Cc1nc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C ZINC000103264060 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1 ZINC000103264066 KK Annotated Anodyne CC(C)(C)c1csc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1 ZINC000103264069 KK Annotated Anodyne CC(C)(C)c1csc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1 ZINC000103264071 KK Annotated Anodyne CCc1csc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1 ZINC000103264074 KK Annotated Anodyne CCc1csc(N[C@@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1 ZINC000103264076 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3ccccc3s2)c2ccc(Cl)cn2)c1 ZINC000103264085 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccccc3s2)c2ccc(Cl)cn2)c1 ZINC000103264086 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3ccccc3o2)c2ccc(Cl)cn2)c1 ZINC000103264089 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccccc3o2)c2ccc(Cl)cn2)c1 ZINC000103264091 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3ccccc3[nH]2)c2ccc(Cl)cn2)c1 ZINC000103264094 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc3ccccc3[nH]2)c2ccc(Cl)cn2)c1 ZINC000103264096 KK Annotated Anodyne O=C(Sc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000103265437 KK Annotated Clean CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@](C)(O)[C@H]2CC[C@@H]2C(C)=CC[C@H]3[C@H](CC[C@]3(C)O)C2(C)C)OC1(C)C ZINC000103265681 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@](C)(O)[C@H]2CC[C@@H]2C(C)=CC[C@H]3[C@H](CC[C@]3(C)OC(C)=O)C2(C)C)OC1(C)C ZINC000103265683 KK Annotated Anodyne 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](OC(=O)CCC(=O)O)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103265686 KK Annotated Anodyne 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](OC(=O)c3ccccc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103265688 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccc(C(F)(F)F)nc2NCCN1C(=O)Cc1cccc(Oc2ccc(F)cc2)c1 ZINC000103266012 KK Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103266810 KK Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000103266812 KK Annotated Anodyne Cn1cncc1[C@](C)(O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCC3)CC2)c2ccc(Cl)cc21 ZINC000103266813 KK Annotated Anodyne COc1cc(-c2c3c(nc4c2c(C)nn4-c2ccccc2)-c2ccccc2C(=O)C3=O)cc(OC)c1OC ZINC000103266827 KK Annotated Clean CC1=CC[C@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@](O)(CO[C@H]3CCOC3)CC2)CC1 ZINC000103267239 KK Annotated Mild 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](OC(=O)c3ccncc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267419 KK Annotated Anodyne 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](OC(=O)c3ccc(C)cc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267424 KK Annotated Anodyne 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](OC(=O)c3ccc(Cl)cc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267425 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@](C)(O)[C@H]2CC[C@@H]2C(C)=CC[C@@H]3C(C)=CC[C@@H]3C2(C)C)OC1(C)C ZINC000103267428 KK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103267430 KK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](OC(=O)c4ccccc4)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103267432 KK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](OC(=O)c4ccncc4)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103267436 KK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](OC(=O)c4ccc(C)cc4)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103267439 KK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](OC(=O)c4ccc(Cl)cc4)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103267441 KK Annotated Anodyne 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](OCc3ccccc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267444 KK Annotated Anodyne CC1=CC[C@H]2[C@@H]1CC=C(C)[C@@H](CC[C@H]1[C@]3(C)CC[C@H](OCc4ccccc4)C(C)(C)O[C@H]3CC[C@@]1(C)O)C2(C)C ZINC000103267448 KK Annotated Anodyne 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](OC(=O)NCc3ccccc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267449 KK Annotated Anodyne 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(=N/OC(=O)c3ccccc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267453 KK Annotated Mild 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(=N/OCc3ccccc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267455 KK Annotated Mild 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](OC(=O)c3ccc(F)cc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103267458 KK Annotated Anodyne O=C(CSc1ncccn1)N1N=C(c2cc3ccccc3oc2=O)C[C@@H]1c1ccccc1C(F)(F)F ZINC000103267744 KK Annotated Anodyne CC1=NN(C(=O)CSc2nc3ccccc3s2)[C@@H](c2cc(Br)cc(Br)c2O)C1 ZINC000103267761 KK Annotated Clean CC(C)=CCC/C(C)=C/C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000103267989 KK Annotated Mild COc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@H](CC[C@@](C)(O)[C@H]3CC[C@@H]3C(C)=CC[C@H]4[C@H](CC[C@]4(C)O)C3(C)C)OC2(C)C)cc1 ZINC000103268114 KK Annotated Anodyne 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](OC(=O)c3ccccc3Cl)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103268117 KK Annotated Anodyne 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](OC(=O)c3ccccc3F)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103268119 KK Annotated Anodyne 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](OC(=O)c3ccco3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103268121 KK Annotated Anodyne 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](OC(=O)c3ccc([N+](=O)[O-])o3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000103268123 KK Annotated Bother CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@@H]2[C@H](C[C@H]1C(=O)O)[C@@](C)(O)CCC2(C)C ZINC000103268132 KK Annotated Anodyne CN1CCN(c2ccccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268300 KK Annotated Anodyne CN1CCN(c2ccccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268302 KK Annotated Anodyne CN1CCN(c2ccccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268304 KK Annotated Anodyne CN1CCN(c2ccccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000103268306 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c5c(n(C)c4c3)CCCC53CCCCC3)CCC2)ccc1/C=C/C(=O)O ZINC000103268699 KK Annotated Anodyne Cn1c(C2(NC(=O)c3ccc4c5c(n(C)c4c3)CCCC53CCCCC3)CCC2)nc2ccc(/C=C/C(=O)O)cc21 ZINC000103268702 KK Annotated Anodyne Cn1c(C2(NC(=O)c3ccc4c5c(n(C)c4c3)CCCC53CCCCC3)CCC2)nc2cc3cc(C(=O)O)sc3cc21 ZINC000103268705 KK Annotated Anodyne CCCOc1ccc(-c2cnc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)nc2)c(C(F)(F)F)c1 ZINC000103268768 KK Annotated Anodyne C[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)no1)n1cc2nc(-c3cccc(F)c3F)nc-2cn1 ZINC000103268770 KK Annotated Mild C[C@H](c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)no1)n1cc2nc(-c3cccc(F)c3F)nc-2cn1 ZINC000103268773 KK Annotated Mild CC(C)(c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)no1)n1cc2nc(-c3cccc(F)c3F)nc-2cn1 ZINC000103268775 KK Annotated Mild CCCOc1ccc(-c2cc([C@@H](C(=O)OC)n3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000103268777 KK Annotated Anodyne CCCOc1ccc(-c2cc([C@H](C(=O)OC)n3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000103268780 KK Annotated Anodyne CCCOc1ccc(-c2cc([C@@H](C(=O)OCCCO)n3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000103268783 KK Annotated Anodyne CCCOc1ccc(-c2cc([C@H](C(=O)OCCCO)n3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000103268785 KK Annotated Anodyne Fc1ccccc1-c1nc2ccn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1 ZINC000103268790 KK Annotated Mild CCCOc1ccc(-c2cc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000103268815 KK Annotated Anodyne Fc1ccccc1-c1nc2cnn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1 ZINC000103268818 KK Annotated Mild Fc1cccc(F)c1-c1nc2cnn(Cc3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)no3)cc-2n1 ZINC000103268820 KK Annotated Mild Fc1cccc(-c2nc3cnn(Cc4cn(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cn4)cc-3n2)c1F ZINC000103268831 KK Annotated Mild Fc1cccc(-c2nc3cnn(Cc4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cn4)cc-3n2)c1F ZINC000103268838 KK Annotated Mild CCCOc1ccc(-c2cnc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)cn2)c(C(F)(F)F)c1 ZINC000103268842 KK Annotated Anodyne C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ccccn2)nc1)C(F)(F)F ZINC000103268863 KK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2-c2ccc(F)cn2)nc1)C(F)(F)F ZINC000103268865 KK Annotated Mild C1=C2CCN3Cc4cc5c(cc4[C@H]([C@H](OC/C=C/c4ccccc4)[C@H]1OC/C=C/c1ccccc1)[C@@H]23)OCO5 ZINC000103268959 KK Annotated Anodyne CN1CCN(c2ccc(N(C(=O)c3ccc(C(F)(F)F)cc3)c3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)cc2)CC1 ZINC000103269217 KK Annotated Mild O=c1c([C@H](Nc2ccccc2I)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103269301 KK Annotated Anodyne O=c1c([C@@H](Nc2ccccc2I)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103269302 KK Annotated Anodyne O=c1c([C@H](Nc2ccc(I)cc2)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103269332 KK Annotated Anodyne O=c1c([C@@H](Nc2ccc(I)cc2)c2nnnn2C2CCCCC2)coc2ccccc12 ZINC000103269334 KK Annotated Anodyne CCOC(=O)c1nc(C(=O)OCC)c(C(=O)OCC)c(-c2ccc(OC)c(OC)c2OCc2ccccc2)c1C ZINC000103269661 KK Annotated Anodyne COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)NCc4ccc(OC)cc4)[C@@H]2CC[C@@]1(C)C3 ZINC000103269703 KK Annotated Anodyne COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)Nc4ccc(C(C)=O)cc4)[C@@H]2CC[C@@]1(C)C3 ZINC000103269727 KK Annotated Anodyne COc1ccc(/C=C2\CCCC3=C(c4ccc(OC)c(OC)c4)Nc4cc(C)c(C)cc4N=C32)cc1OC ZINC000103270127 KK Annotated Anodyne Clc1cc2c(cc1Cl)NC(c1ccc(Br)cc1)=C1CCC/C(=C\c3ccc(Br)cc3)C1=N2 ZINC000103270131 KK Annotated Anodyne CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1 ZINC000103270442 KK Annotated Mild Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccs1 ZINC000103270474 KK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000103270476 KK Annotated Mild Cc1cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2cc1OC(F)F ZINC000103270481 KK Annotated Mild CCc1cc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)n(C3CCC3)c2cc1OC(F)F ZINC000103270483 KK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4CC4)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000103270491 KK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(Cl)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000103270496 KK Annotated Mild CSc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1 ZINC000103270500 KK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3c(F)cc(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000103270502 KK Annotated Mild CCOC(=O)c1cc(C(=O)c2ccccc2)n2ccc(-c3cc[n+](CC(=O)c4ccc(OC)cc4)cc3)cc12 ZINC000103270504 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)c1 ZINC000103271078 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)c1 ZINC000103271080 KK Annotated Mild O=c1cc(-n2cc(COc3ccnc4ccc(Br)cc34)nn2)c2cc(Br)ccc2o1 ZINC000103271611 KK Annotated Anodyne CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271827 KK Annotated Clean CC1=NN(c2cc(S(=O)(=O)O)ccc2Cl)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000103271831 KK Annotated Clean O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(NCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103271867 KK Annotated Anodyne C[C@@H]1/C(=N/N=C2\C[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000103272479 KK Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3ccc(Cl)cc3Cl)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103272793 KK Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3ccc(Br)cc3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103272797 KK Annotated Mild Cc1c2c(nn1-c1ccc(C(=O)/C=C/c3cccc(Br)c3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103272800 KK Annotated Mild CCCCN(c1ccc(F)cc1)S(=O)(=O)c1cccc2c(NC(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)cccc12 ZINC000103272850 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c(S(=O)(=O)Nc4ccccc4)cccc23)C(F)(F)F)cc1OC(C)=O ZINC000103272859 KK Annotated Anodyne Cc1c2c(nn1-c1ccc(/C=C/C(=O)c3ccc(Br)cc3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103272862 KK Annotated Mild COc1cc(Cc2nnc(Nc3ccc(C(F)(F)F)cc3)s2)c(S(=O)(=O)N2CCCCC2)cc1OC ZINC000103273188 KK Annotated Anodyne O=C(O)c1ccc(-n2nc3c(=O)n(-c4ccc(C(=O)O)cc4)nc(-c4ccccc4)c3c2-c2ccccc2)cc1 ZINC000103274260 KK Annotated Anodyne Cc1cc(C)c(-c2cc(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc(N)n2)c(C)c1 ZINC000103274606 KK Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4ccc(Cl)cc4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274622 KK Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4cccc(Cl)c4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274625 KK Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4ccc(Br)cc4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274671 KK Annotated Anodyne Cc1c2c(nn1-c1ccc(-c3cc(-c4cccc(Br)c4)nc(N)n3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000103274675 KK Annotated Anodyne Cc1ccc(-c2cc(-c3ccc(-n4nc5c(c4C)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc(N)n2)cc1 ZINC000103275960 KK Annotated Anodyne Nc1ccc(S(=O)(=O)N(CCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2ccc(Cl)nn2)cc1 ZINC000103276503 KK Annotated Anodyne Nc1ccc(S(=O)(=O)N(CCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c2nccs2)cc1 ZINC000103276508 KK Annotated Anodyne O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(-n2nc3c(c2-c2cccs2)Cc2ccccc2-3)cc1 ZINC000103276982 KK Annotated Anodyne O=C(Nc1ccccc1)NS(=O)(=O)c1ccc(-n2nc3c(c2-c2cccs2)Cc2ccccc2-3)cc1 ZINC000103276985 KK Annotated Anodyne O=S(=O)(NC(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@H]2c2cccs2)cc1 ZINC000103276988 KK Annotated Anodyne O=S(=O)(NC(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@@H]2c2cccs2)cc1 ZINC000103276990 KK Annotated Anodyne O=S(=O)(NC(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@H]2c2cccs2)cc1 ZINC000103276992 KK Annotated Anodyne O=S(=O)(NC(=S)Nc1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@@H]2c2cccs2)cc1 ZINC000103276994 KK Annotated Anodyne O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277006 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277009 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277011 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277013 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@H]3c3cccs3)cc2)N1c1ccccc1 ZINC000103277073 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@@H]3c3cccs3)cc2)N1c1ccccc1 ZINC000103277076 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@H]3c3cccs3)cc2)N1c1ccccc1 ZINC000103277079 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@@H]3c3cccs3)cc2)N1c1ccccc1 ZINC000103277081 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277085 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277087 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277089 KK Annotated Mild O=C1CCS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@@H]3c3cccs3)cc2)N1C(=O)c1ccccc1 ZINC000103277093 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@H]3c3cccs3)cc2)N(c2ccccc2)C1 ZINC000103277096 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@H]4[C@@H]3c3cccs3)cc2)N(c2ccccc2)C1 ZINC000103277098 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@H]3c3cccs3)cc2)N(c2ccccc2)C1 ZINC000103277100 KK Annotated Mild O=C1CS/C(=N\S(=O)(=O)c2ccc(N3N=C4c5ccccc5C[C@@H]4[C@@H]3c3cccs3)cc2)N(c2ccccc2)C1 ZINC000103277102 KK Annotated Mild CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@H](O)N3CCN(c4ccc(F)cc4)CC3)c2O1 ZINC000103277549 KK Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@@H](O)N3CCN(c4ccc(F)cc4)CC3)c2O1 ZINC000103277551 KK Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@H](O)N3CCN(c4ccccc4)CC3)c2O1 ZINC000103277558 KK Annotated Anodyne CC1(C)Cc2c(Br)c(Br)c(Br)c(OC[C@@H](O)N3CCN(c4ccccc4)CC3)c2O1 ZINC000103277560 KK Annotated Anodyne CC(C)(C)C(Br)(Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103277612 KK Annotated Mild Cc1ccc(COc2nn(CN(c3ccccc3)c3ccccc3)c(=S)n2/N=C/c2c[nH]nc2-c2ccc(F)cc2)cc1 ZINC000103278538 KK Annotated Mild CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103278976 KK Annotated Reactive CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103278977 KK Annotated Reactive CC(C)(C)C(Br)(Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000103279048 KK Annotated Mild CCCCCCCCCCCCCCCCN[C@@H](CC(=O)NO)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000103280099 KK Annotated Mild CCCCCCCCCCCCCCCCN[C@H](CC(=O)NO)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000103280101 KK Annotated Mild CCCCCCCCCCCCCCCCN[C@@H](CC(=O)NO)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000103280103 KK Annotated Mild CCCCCCCCCCCCCCCCN[C@H](CC(=O)NO)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC ZINC000103280105 KK Annotated Mild CC(=O)NC1=NN(C(C)=O)C2(C[C@@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)S1 ZINC000103280154 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)S1 ZINC000103280157 KK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Br)cc1Br ZINC000103280182 KK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Br ZINC000103280242 KK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c1Nc1ncc(Br)cc1C(F)(F)F ZINC000103280250 KK Annotated Bother COc1ccc(CCNC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000103280421 KK Annotated Clean O=C1CS[C@@H](c2ccccc2)N1c1ccc(CCc2ccc(N3C(=O)CS[C@H]3c3ccccc3)cc2)cc1 ZINC000103280633 KK Annotated Anodyne COc1ccc(CN(CCc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1O ZINC000103280717 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2O)N1c1ccc(CCc2ccc(N3C(=O)CS[C@H]3c3ccccc3O)cc2)cc1 ZINC000103280722 KK Annotated Clean C[C@@H]1S[C@@H](c2ccccc2)N(c2ccc(CCc3ccc(N4C(=O)[C@H](C)S[C@H]4c4ccccc4)cc3)cc2)C1=O ZINC000103280729 KK Annotated Anodyne C[C@@H]1S[C@@H](c2ccccc2O)N(c2ccc(CCc3ccc(N4C(=O)[C@H](C)S[C@H]4c4ccccc4O)cc3)cc2)C1=O ZINC000103280802 KK Annotated Clean Cc1c(-c2csc(/N=c3\sc(-c4ccccc4)nn3-c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000103281707 KK Annotated Anodyne COc1ccc(CN2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C[C@@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000103281810 KK Annotated Anodyne COc1ccc(CN2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000103281814 KK Annotated Anodyne COc1ccc(CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000103281819 KK Annotated Anodyne COc1ccc(CN2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)C[C@@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000103281822 KK Annotated Anodyne CC1(C)O[C@H]2O[C@H]([C@@H]3CC(=O)N(Cc4ccccc4)C(=O)N3Cc3ccc(Br)cc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000103281826 KK Annotated Anodyne CC1(C)O[C@H]2O[C@H]([C@H]3CC(=O)N(Cc4ccccc4)C(=O)N3Cc3ccc(Br)cc3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000103281829 KK Annotated Anodyne Cc1ccc(COc2nn(CN(c3ccccc3)c3ccccc3)c(=S)n2/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)cc1 ZINC000103281897 KK Annotated Mild O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)N1CCN(c2ccccc2F)CC1 ZINC000103282054 KK Annotated Clean Cc1nc(-c2ccc(NC(=O)CN3C(=O)/C(=C/c4ccc(-c5ccc(Cl)cc5)o4)SC3=S)cc2)no1 ZINC000103282172 KK Annotated Clean COc1ccc(Cn2nc(C3CC3)cc2NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)cc1 ZINC000103282175 KK Annotated Clean COc1ccc(CN(CCc2ccc(Br)cc2)Cc2c(F)c(F)c(F)c(F)c2F)cc1O ZINC000103282609 KK Annotated Anodyne CCN(CC)CC(=O)N[C@@H]1CC[C@@H](C(=O)NC(c2ccc(F)cc2)c2ccc(F)cc2)[C@H](c2ccc(Br)cc2)C1 ZINC000103283313 KK Annotated Anodyne O=C([C@@H]1CC[C@@H](N2CCOCC2)C[C@H]1c1ccc(Br)cc1)N1CC(c2ccccc2)(c2ccccc2)C1 ZINC000103283315 KK Annotated Anodyne C=C/C(C)=C\CC/C(C)=C/c1cc(C(=O)NCCCNC(=O)c2coc(/C=C(\C)CC/C=C(/C)C=C)c2)co1 ZINC000103283704 KK Annotated Anodyne O=C(O)CN(C(=O)Cc1ccccc1)c1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000103285765 KK Annotated Anodyne O=C(O)C[C@H](CC(=O)c1ccccc1)c1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000103285828 KK Annotated Anodyne O=C(O)C[C@@H](CC(=O)c1ccccc1)c1ccc(CN(Cc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 ZINC000103285830 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccccn2)nc1N1CCC(NCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000103285864 KK Annotated Anodyne Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)C ZINC000103286679 KK Annotated Mild Cc1cc(C(F)(F)C(F)(F)F)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)C ZINC000103286681 KK Annotated Anodyne CCCCCCCCCCC(=O)N(CCOc1ccc(CCOCC)cc1C)C(=O)c1c(Cl)c(C)nn1C ZINC000103287078 KK Annotated Mild CCOC(=O)c1c(C)nc2c(c1-c1cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c1)C(=O)CC(C)(C)C2 ZINC000103287339 KK Annotated Anodyne CCOC(=O)c1c(C)nc2c(c1-c1cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c1)C(=O)CC(C)(C)C2 ZINC000103287341 KK Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)[C@H](c2cnn(-c3ccccc3)c2-c2ccccc2O)C1 ZINC000103288280 KK Annotated Anodyne O=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)[C@@H](c2cnn(-c3ccccc3)c2-c2ccccc2O)C1 ZINC000103288281 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c(CCO)c(=O)o1)CO ZINC000103288330 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c(CCO)c(=O)o1)CO ZINC000103288334 KK Annotated Anodyne O=C1S/C(=C\c2sc(SCc3ccccc3)nc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000103288471 KK Annotated Anodyne O=C1S/C(=C\c2sc(SCc3ccc(Cl)cc3)nc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000103288479 KK Annotated Anodyne O=C1S/C(=C\c2sc(SCc3ccc(Cl)cc3)nc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000103288484 KK Annotated Anodyne Clc1ccc([C@@H](COCc2ccc(OCc3cccc(OCc4ccccc4)c3)cc2)Cn2cncn2)c(Cl)c1 ZINC000103288505 KK Annotated Anodyne Clc1ccc([C@H](COCc2ccc(OCc3cccc(OCc4ccccc4)c3)cc2)Cn2cncn2)c(Cl)c1 ZINC000103288508 KK Annotated Anodyne Clc1ccc([C@@H](COCc2ccc(OCc3ccc(OCc4ccccc4)cc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000103288510 KK Annotated Anodyne Clc1ccc([C@H](COCc2ccc(OCc3ccc(OCc4ccccc4)cc3)cc2)Cn2cncn2)c(Cl)c1 ZINC000103288512 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=C(C2=C(/C=C/[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)COC2=O)C(=O)OC1 ZINC000103288749 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN(C)[C@H]3C2 ZINC000103289102 KK Annotated Anodyne Cc1cccc(NC(=S)Sc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3cccc(C)c3)n2)c1 ZINC000103289853 KK Annotated Anodyne Cc1ccc(NC(=S)Sc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3ccc(C)cc3)n2)cc1 ZINC000103289855 KK Annotated Anodyne c1ccc([C@@H]2CC(=NN=C3C[C@@H](c4ccccc4)S[C@@H](c4ccccc4)C3)C[C@H](c3ccccc3)S2)cc1 ZINC000103289857 KK Annotated Mild Cc1cccc(Nc2nc(SC(=S)Nc3ccc([N+](=O)[O-])cc3)nc(SC(=S)Nc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000103289926 KK Annotated Bother CCC(=O)[C@@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)([C@@H](C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](O)[C@@H]2C)c(C)c(=O)c1C ZINC000103290164 KK Annotated Anodyne CCC(=O)[C@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)([C@@H](C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](O)[C@@H]2C)c(C)c(=O)c1C ZINC000103290165 KK Annotated Anodyne CCOc1cccc2sc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)nc12 ZINC000103290541 KK Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(\SC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103290957 KK Annotated Mild CO/N=C(/C1=NOCCO1)c1ccccc1CO/N=C(\SC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103290959 KK Annotated Mild COc1ccccc1NC(=S)Sc1nc(Nc2cccc(C)c2)nc(SC(=S)Nc2ccccc2OC)n1 ZINC000103291089 KK Annotated Anodyne Cc1cccc(Nc2nc(SC(=S)Nc3ccccc3[N+](=O)[O-])nc(SC(=S)Nc3ccccc3[N+](=O)[O-])n2)c1 ZINC000103291094 KK Annotated Bother COc1cccc2sc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)nc12 ZINC000103291754 KK Annotated Anodyne Cc1ccc2sc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)nc2c1 ZINC000103291803 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1-c1nc2cc(Cl)ccc2s1 ZINC000103291805 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1-c1nc2ccc(Br)cc2s1 ZINC000103291814 KK Annotated Anodyne Cc1cc(C)c2nc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)sc2c1 ZINC000103291818 KK Annotated Anodyne CCS/C(=N\OCc1ccccc1/C(=N\OC)C(=O)OC)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103292362 KK Annotated Mild CO/N=C(/C(=O)OC)c1ccccc1CO/N=C(\SC(C)C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103292368 KK Annotated Mild Cc1cccc(Nc2nc(SC(=S)Nc3ccccc3)nc(SC(=S)Nc3ccccc3)n2)c1 ZINC000103292541 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(c5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000103292660 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(c5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000103292662 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(c5ccccn5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000103292664 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(c5ccccn5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000103292666 KK Annotated Reactive Cc1cc(F)c(NC(=O)c2ccsc2)cc1Nc1ccc2c(c1)OCc1ccc(OC[C@H]3COC(C)(C)O3)cc1C2=O ZINC000103292949 KK Annotated Anodyne Cc1cc(F)c(NC(=O)c2ccsc2)cc1Nc1ccc2c(c1)OCc1ccc(OC[C@H](O)CO)cc1C2=O ZINC000103292952 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(/C)[C@H](Cl)C(Br)Br)[C@](C)(Br)CCl ZINC000103293131 KK Annotated Unstable CC(=O)O[C@H](C/C=C(/C)[C@H](Cl)C(Br)Br)[C@@](C)(Br)CCl ZINC000103293134 KK Annotated Reactive Cc1cccc2sc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)nc12 ZINC000103293233 KK Annotated Anodyne Cc1cc(C)cc(C(=O)N(N(SOc2ccc(Cl)cc2)C(=O)c2ccc3c(c2C)O[C@H](C)C3)C(C)(C)C)c1 ZINC000103293496 KK Annotated Reactive Cc1cc(C)cc(C(=O)N(N(SOc2ccc(Cl)cc2)C(=O)c2ccc3c(c2C)O[C@@H](C)C3)C(C)(C)C)c1 ZINC000103293500 KK Annotated Reactive COc1ccc(CN2C(=O)N(c3ccc(C(C)=O)cc3)C(=O)C[C@H]2[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccccc2)cc1 ZINC000103293531 KK Annotated Anodyne CCCCCCCCCCCCCCCCN[C@@H](CC(=O)NO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103293902 KK Annotated Mild CCCCCCCCCCCCCCCCN[C@H](CC(=O)NO)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000103293906 KK Annotated Mild Cc1cccc(Nc2nc(SC(=S)Nc3ccc(Cl)cc3)nc(SC(=S)Nc3ccc(Cl)cc3)n2)c1 ZINC000103293923 KK Annotated Anodyne Cc1cccc(Nc2nc(SC(=S)Nc3ccccc3C)nc(SC(=S)Nc3ccccc3C)n2)c1 ZINC000103293929 KK Annotated Anodyne O=S(=O)(Cl)c1ccc(Sc2nnc(Nc3ccc(C(Cl)(Cl)Cl)cc3)s2)cc1 ZINC000103294029 KK Annotated Unstable O=[N+]([O-])c1cc(C(F)(F)F)c(Oc2ccccc2C(F)(F)F)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103294116 KK Annotated Mild Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3ccccc3[N+](=O)[O-])n2)c1 ZINC000103295193 KK Annotated Bother Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(SC(=S)Nc3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000103295196 KK Annotated Bother C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCCCC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000103295483 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCCCC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000103295487 KK Annotated Reactive O=[N+]([O-])c1cc(C(F)(F)F)c(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103295549 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)c(OCC(F)(F)F)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103295553 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)c(OCCCl)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103295558 KK Annotated Reactive O=[N+]([O-])c1cc(C(F)(F)F)c(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000103295659 KK Annotated Mild O=C(N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000103297008 KK Annotated Reactive OC[C@H](O)CN1[C@H](CCc2ccc(Cl)cc2Cl)CCC[C@@H]1CCc1ccc(Cl)cc1Cl ZINC000103297270 KK Annotated Anodyne OC[C@@H](O)CN1[C@H](CCc2ccc(Cl)cc2Cl)CCC[C@@H]1CCc1ccc(Cl)cc1Cl ZINC000103297272 KK Annotated Anodyne C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NS(=O)(=O)c2ccccc2)C(F)(F)[C@H]1c1ccc(OC)cc1 ZINC000103297850 KK Annotated Mild C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NS(=O)(=O)c2ccccc2)C(F)(F)[C@@H]1c1ccc(OC)cc1 ZINC000103297852 KK Annotated Mild C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NC(=O)Nc2ccccc2)C(F)(F)[C@H]1c1ccc(OC)cc1 ZINC000103297856 KK Annotated Mild C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NC(=O)Nc2ccccc2)C(F)(F)[C@@H]1c1ccc(OC)cc1 ZINC000103297860 KK Annotated Mild CC(C)CN(C(=O)Nc1ccc(CCC(=O)O)cc1Cc1ccccc1)C(=O)c1ccc(OCC(=O)O)c(Cc2ccccc2)c1 ZINC000103298090 KK Annotated Anodyne COc1cc(O)c([C@@H]2C[C@@H](c3ccccc3)Oc3c(C=O)c(O)cc(O)c32)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000103298370 KK Annotated Mild COc1cc(O)c([C@H]2C[C@@H](c3ccccc3)Oc3c(C=O)c(O)cc(O)c32)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000103298372 KK Annotated Mild C[C@H](C(=O)Oc1ccc(-c2cc(=S)ss2)cc1)c1ccc2cc(OC(=O)CCCO[N+](=O)[O-])ccc2c1 ZINC000103298383 KK Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000103298472 KK Annotated Mild CCCCCCCCCCCCCC[C@H]1OC[C@H](NC(=S)Nc2c(F)c(F)c(F)c(F)c2F)[C@@H]1O ZINC000103298474 KK Annotated Mild CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000103298480 KK Annotated Mild CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(OC)c2OC)n(CCc2ccccc2)n1 ZINC000103298844 KK Annotated Anodyne COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298985 KK Annotated Anodyne COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3nc(-c4ccccc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000103298987 KK Annotated Anodyne CCOc1nc2c(c(-c3cc4c(ccc5ccccc54)nc3Cl)c1C#N)CCc1c-2[nH]c2ccc(C)cc12 ZINC000103300043 KK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7c([nH]c8ccccc78)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000103300108 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7c([nH]c8ccc(F)cc78)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000103300111 KK Annotated Anodyne CCOc1nc2c(c(-c3cc4c(ccc5ccccc54)nc3Cl)c1C#N)CCc1c-2[nH]c2ccc(Cl)cc12 ZINC000103300115 KK Annotated Mild CCOc1nc2c(c(-c3cc4c(ccc5ccccc54)nc3Cl)c1C#N)CCc1c-2[nH]c2ccccc12 ZINC000103300121 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)CSc2nnccc2-c2cccc3ccccc23)c(Br)c1 ZINC000103300193 KK Annotated Anodyne CCCC[n+]1ccn(Cc2cc3ccccc3c(-c3c(O)c(Cn4cc[n+](CCCC)c4)cc4ccccc34)c2O)c1 ZINC000103300899 KK Annotated Clean O=C(O)c1ccc(/N=[N+](/[O-])c2ccccc2Sc2ccccc2C(=O)O)cc1Sc1ccccc1O ZINC000103301031 KK Annotated Clean CCOC(=O)CN(CCSC)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000103301057 KK Annotated Reactive COC(=O)[C@H](CCSC)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1cccc2c1oc1ccccc12 ZINC000103301076 KK Annotated Mild CSCC[C@H](NC(=O)c1sc(SC(C)C)c(C#N)c1-c1cccc2c1oc1ccccc12)C(=O)O ZINC000103301078 KK Annotated Mild CC[C@@H](C)Sc1sc(C(=O)N[C@@H](CCC(N)=O)C(=O)OC(C)(C)C)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301096 KK Annotated Mild CC[C@H](C)Sc1sc(C(=O)N[C@@H](CCC(N)=O)C(=O)OC(C)(C)C)c(-c2ccc(Cl)cc2)c1C#N ZINC000103301099 KK Annotated Mild Fc1ccc(C2([C@H](Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)C(F)(F)F)CC2)cc1F ZINC000103302877 KK Annotated Mild Fc1ccc(C2([C@@H](Oc3cncc4nnc(-c5ccc(OC(F)F)cc5)n34)C(F)(F)F)CC2)cc1F ZINC000103302880 KK Annotated Mild CN(C)S(=O)(=O)c1cccc(N2CCC(N(c3ccc(C(F)(F)F)cc3)c3cccnc3)CC2)c1 ZINC000103303244 KK Annotated Anodyne CN(C)S(=O)(=O)c1cc(C(F)(F)F)ccc1N1CCC(N(c2ccc(C#N)cc2)c2cccnc2)CC1 ZINC000103303268 KK Annotated Mild CC(C)CC[C@H]1C[C@H](c2ccc(O)cc2)[C@@H](CCCCCC[C@@H]2C=C(CCN)CC2)C/C1=C/CCC(=O)O ZINC000103524265 KK Annotated Anodyne in-vitro biogenic CC1=C2C[C@@]34[C@H]5C[C@@H]6CC[C@@H]7N5[C@]75CC[C@@H](CCCO)[C@H]5CC#CC[C@@]3(C)[C@]2(CC1)[C@H](C)C[C@]41CCC[C@H]61 ZINC000103524297 KK Annotated Mild in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CCCC1(CCCC1)C2 ZINC000103524361 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)C[C@@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000103524796 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C2/CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)C1)[C@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000103524888 KK Annotated Anodyne in-vitro biogenic C[C@]12CCSS[C@]3(CC[C@@H]4C=C(O)C=C[C@@H]4C3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000103525115 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34CC[C@H](CC#Cc5ccccc5C[C@H]3CNC(N)=N4)C3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000103525121 KK Annotated Reactive in-vitro biogenic C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O ZINC000103525182 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5[C@H]6CC[C@@H](C[C@H]61)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000103525203 KK Annotated Reactive in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4ccc(O)cc4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525542 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3ccc(O)cc3)CC[C@@]2(C)O)[C@@H]1O)[C@H](CC=C(C)C)NCC ZINC000103525568 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3ccc(O)cc3)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CC=C(C)C ZINC000103525582 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc(C(N)N)c3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103525591 KK Annotated Mild in-vitro biogenic C=C1/C=C2\C=C[C@@]3(CC[C@@]4([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]4(C)O)[C@@H]3O)C(=C2)COCC#CC/C(C)=C/CC1 ZINC000103525598 KK Annotated Reactive in-vitro biogenic C=C1/C=C/C=C2/[C@H](CCC[C@H]3C[C@@]4([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]4(C)O)[C@H](O)[C@@H]23)OCC#CC/C(C)=C/CC1 ZINC000103525607 KK Annotated Reactive in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)[C@H](CCCO)C[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525614 KK Annotated Reactive in-vitro biogenic C=C1/C=C/C=C(\[C@H]2[C@@H]3CCC[C@@]4(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@]4(C3)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525621 KK Annotated Reactive in-vitro biogenic C=C(/C=C1\C=C[C@@]2(CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4ccc(O)cc4)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C ZINC000103525627 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCC4(O)CCCC4)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525635 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1[C@@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4ccc(O)cc4)[C@@H](CCCO)[C@]3(C2)[C@@H]1O)CCC=C(C)C ZINC000103525642 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(CCCc2ccccc2)=C/CC1 ZINC000103525650 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCC3(O)CCCC3)/C(=C(\C)C(=O)Cc3ccc(O)cc3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103525656 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2C[C@H]3CCC[C@@]4(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@@]34[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525664 KK Annotated Reactive in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525675 KK Annotated Reactive in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)CO[C@H]2C#CC/C(=C\CC1)CCSSC2 ZINC000103525683 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3ccc(O)cc3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103525690 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(/C=O)C4CCCCC4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000103525705 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C1/[C@H](O)CCC[C@H]2C[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@H](O)[C@@H]12)CCC=C(C)C ZINC000103525714 KK Annotated Reactive in-vitro biogenic C=C(/C=C1\C=C[C@@]2(CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C ZINC000103525718 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCC3(O)CCCC3)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103525727 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(/C)CCCc1ccccc1 ZINC000103525733 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@@H]2CSSCC/C(C=O)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C ZINC000103525742 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(/C=O)C3CCCCC3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103525746 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc6c3C=C[C@H](N6)SSC[C@@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000103526661 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)NCCC(C)C)c1 ZINC000103527883 KK Annotated Anodyne in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](c3ccc4c(c3)=C[CH+]N=4)C2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000103528595 KK Annotated Mild in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@@H](c3ccc(O)cc3)C2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 ZINC000103528698 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)/C(=C2\CCC(=O)[C@H](c4ccc5c(c4)=C[CH+]N=5)C2)C=C(C(=O)OCC)O3)O1 ZINC000103528719 KK Annotated Mild in-vitro biogenic CCOC(=O)C1=C/C(=C2\CCC(=O)[C@H](c3ccc(O)cc3)C2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)C2CCCC2)O3)O1 ZINC000103528723 KK Annotated Anodyne in-vitro biogenic CCCOc1c2c(cc3c1/C(=C1\CCC(=O)[C@H](c4ccc(O)cc4)C1)C=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 ZINC000103528739 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)/C(=C2\CCC(=O)[C@H](c4ccc(O)cc4)C2)C=C(C(=O)OCC)O3)O1 ZINC000103528743 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1OCc1cc3c4c(c(O)ccc4c1)[C@@H](C#CO[C@@H](CCCCCCCc1ccccc1)CC(=O)CC2)CC3 ZINC000103529462 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](CC3=C[CH+]N=C3)C[C@H]2Cc2[cH-]ccn2)[C@H](O)C1 ZINC000103529570 KK Annotated Mild in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc3c(c2)[C@](C[n+]2cc[nH]c2)(CCN3)SSC1 ZINC000103529685 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@]1(C[n+]3cc[nH]c3)CCNc3ncc2cc31 ZINC000103529696 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](C[n+]2cc[nH]c2)(CCN3)SSC1 ZINC000103529707 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](c1cccc(O)c1)c1cc2cnc1N ZINC000103529731 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](c2cccc(O)c2)SSC1 ZINC000103529738 KK Annotated Reactive in-vitro biogenic CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2 ZINC000103530291 KK Annotated Reactive in-vitro biogenic CC[C@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)C2(CCCC2)CC2=C(C=N[CH+]2)C1 ZINC000103530628 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@@]3(O)CC[C@H]4CCCC[C@]4(c4ccc(O)c(O)c4)[C@@H]3CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000103531192 KK Annotated Mild in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C(CNc2[cH-]ccn2)=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000103531482 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c2c1CCCO2)CC(=O)[C@H]1C(CNc2[cH-]ccn2)=Cc2nc[cH-]c2[C@@H]1CCCCc1cccc(O)c1 ZINC000103531506 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C=Cc2nc[cH-]c2[C@H]1C[C@@H]1C=Cc2c(O)cccc2CC1 ZINC000103531532 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C=Cc2nc[cH-]c2[C@H]1C[C@H](O)CCc1cccc(O)c1 ZINC000103531541 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)[C@H](CCO)C(=O)[C@@H]1C=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000103531552 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000103531564 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c2c1CCCO2)CC(=O)[C@@H]1C=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000103531604 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]45CCC[C@@H]4CC4=CN[C@H](N)c6cccc5c64)C3=C2)c1 ZINC000103532096 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(CCCOC)C3=C2CCC(C)C)c1 ZINC000103532178 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=CC3=C2CCC(C)C)c1 ZINC000103532207 KK Annotated Anodyne in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc4c(c3)C=CN[C@@H]4N)c2-c2ccc(O)cc2)c1 ZINC000103532338 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc4c(c3)C=CN[C@@H]4N)c2)c1 ZINC000103532400 KK Annotated Mild in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCCC3)c2)Cc2cnc[cH-]2)ccc1O ZINC000103532969 KK Annotated Mild in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCC3)c2)Cc2cnc[cH-]2)ccc1O ZINC000103532982 KK Annotated Mild in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2CC(C)C)ccc1O ZINC000103532987 KK Annotated Mild in-vitro biogenic CCC1=C(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)C=N[CH+]1 ZINC000103532999 KK Annotated Mild in-vitro biogenic CCCCC[C+]1C=C(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)C=N1 ZINC000103533007 KK Annotated Mild in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000103533105 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533113 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(O)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000103533123 KK Annotated Mild in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000103533129 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc([C@H](COC)Cc3c(O)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000103533139 KK Annotated Anodyne in-vitro biogenic COc1c(OCCCO)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533148 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(CO)n1 ZINC000103533154 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(C[C@@H]2CCc3cc4nc[cH-]c4c4cccc2c34)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533163 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(C[C@@H]2C=Cc3cc4nc[cH-]c4c4cccc2c34)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533170 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCC1(O)CCCC1 ZINC000103533174 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@H](CCC(C)C)Cc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533184 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533191 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCCC4(O)CCCC4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000103533197 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)CCc1c(CCc3c(O)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)cccc1-2 ZINC000103533206 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000103533212 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000103533222 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc([C@H](COC)Cc3c(O)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000103533230 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@H](CCC(C)C)c2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533236 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(CCc2cccc(-c3cnc(C4(C)CCCC4)[cH-]3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533241 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(CO)n1 ZINC000103533245 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(C[C@@H]2CCc3cc4nc[cH-]c4c4cccc2c34)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533254 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(C[C@@H]2C=Cc3cc4nc[cH-]c4c4cccc2c34)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533263 KK Annotated Anodyne in-vitro biogenic COc1c(OCCc2ccccc2)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533270 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@H](Cc2ccccc2)c2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533277 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(C2(c3cnc[cH-]3)CCCCC2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533282 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@H](CCC(C)C)Cc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000103533290 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000103533306 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)CCc1c(CCc3c(O)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)cccc1-2 ZINC000103533326 KK Annotated Anodyne in-vitro biogenic COc1c(OCCc2ccccc2)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000103533348 KK Annotated Anodyne in-vitro biogenic CC1=C[C@](C)(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=C/[C@@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000103534267 KK Annotated Bother in-vitro biogenic CC1=C[C@](C)(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=C/[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000103534270 KK Annotated Bother in-vitro biogenic C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=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 ZINC000103534287 KK Annotated Bother in-vitro biogenic C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@H]3C2=O ZINC000103536976 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)CC[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000103539012 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCC[C@@H]1CC[C@H](C2(c3ccccc3)CCCC2)[C@@H]([C@H](C(=O)O)[C@H](C)O)[C@H]1CCN ZINC000103539351 KK Annotated Mild in-vitro biogenic CCO[C@@H]1Nc2cccc(C(=O)OCc3oc(=O)oc3C)c2N1[C@@H](C)c1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 ZINC000103540214 KK Annotated Anodyne CCO[C@H]1Nc2cccc(C(=O)OCc3oc(=O)oc3C)c2N1[C@@H](C)c1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1 ZINC000103540222 KK Annotated Anodyne C=C(OO[C@H]1[C@@H](C)C[C@]2(C(=O)OC)C(=O)/C(C)=C/[C@@H]3[C@H](CCC(=C)[C@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 ZINC000103541308 KK Annotated Reactive in-vitro biogenic C=C(O[C@H]1[C@@H](C)C[C@]2(OOCC)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 ZINC000103541354 KK Annotated Reactive in-vitro biogenic C#CC#COO[C@H]1[C@@H](C)C[C@]2(C(=O)OC)C(=O)/C(C)=C/[C@@H]3[C@H](C[C@H](OCc4ccccc4)C(=C)[C@H](OOCC)[C@@H]12)C3(C)C ZINC000103541359 KK Annotated Reactive in-vitro biogenic C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(C(=O)OC)C[C@H](C)[C@H](OOCc4ccccc4)[C@@H]3[C@H]1OOCC)C2(C)C ZINC000103541367 KK Annotated Reactive in-vitro biogenic CC(C)=CC[C@@]1(C)C=Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C3=O)c(O)c(C(=O)C(C)C)c2O1 ZINC000103541984 KK Annotated Mild in-vitro biogenic Cc1cc(S(N)(O)O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000103543969 KK Annotated Anodyne C[C@@]1(N)Cc2cccc(c2)/C=C\C(c2ccccc2)=N/C(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000103545601 KK Annotated Mild C[C@@]1(N)Cc2cccc(c2)/C=C/C(c2ccccc2)=N\C(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000103545606 KK Annotated Mild C[C@@]1(N)Cc2cccc(c2)/C=C\C(c2ccccc2)=N\C(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000103545612 KK Annotated Mild C=C(C)COc1ccc([C@H]2C3=C(CC(C)(C)CS3(=O)=O)Nc3c(O)cccc3N2C(=O)c2nc(C)oc2C)c(F)c1 ZINC000103546563 KK Annotated Mild CC(=O)O[C@H](/C=C/[C@H](C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O ZINC000103546630 KK Annotated Reactive in-vitro biogenic C=CCCCCCCCCC/C=C(\C(=O)O[C@@H]1C(=C)OC(=O)/C1=C/CCCCCCCCCC=C)[C@H](O)C(C)=O ZINC000103548976 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000103549189 KK Annotated Mild in-vitro biogenic CCC1=C(C)C(=O)N/C1=C\C1=N/C(=C\c2[nH]c(/C=C3\NC(=O)C(C)=C3CC)c(CCC(=O)O)c2C)C(C)=C1CCC(=O)O ZINC000103549499 KK Annotated Anodyne CCC1=C(C)C(=O)N/C1=C\C1=N/C(=C\c2[nH]c(/C=C3/NC(=O)C(C)=C3CC)c(CCC(=O)O)c2C)C(C)=C1CCC(=O)O ZINC000103549504 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@H]2C(=O)N(c3ccc(-c4ccc(Cl)cc4)cc3)C(=O)[C@H]12 ZINC000103549529 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H](C[C@]12C)C3(C)C ZINC000103550503 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000103551232 KK Annotated Mild in-vitro biogenic C/C(=C\C=C/[C@@H](C)[C@@]1(C)C[C@@]2(O)O[C@@]23[C@]2(CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000103553935 KK Annotated Anodyne in-vitro biogenic C/C(=C\CC[C@@H](C)[C@@]1(C)C[C@@]2(O)O[C@@]23[C@]2(CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000103553942 KK Annotated Anodyne in-vitro biogenic C/C(=C\CC[C@@H](C)[C@@]1(C)C[C@@]2(O)O[C@@]23[C@]2(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]42C)C(=O)CC[C@@]31C)C(=O)O ZINC000103553950 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@]45O[C@@H]4C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]5CC[C@@H]32)C1(C)C ZINC000103553958 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CCC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000103556150 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@H](C)C(=O)C3=C2O)C1(C)C ZINC000103559057 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@]1(C)C=Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C3=O)c(O)c(C(=O)C(C)C)c2O1 ZINC000103559654 KK Annotated Mild in-vitro biogenic CC(=O)[C@](O)(C1=C(O)[C@H]2C(=O)[C@@H](C)[C@@H](C)O[C@H]2[C@@](CC=C(C)C)(CC(CC=C(C)C)=C(C)C)C1=O)c1ccccc1 ZINC000103562244 KK Annotated Mild in-vitro biogenic COC(=O)[C@@]12CC[C@]3(C)C(=CC[C@@H]4[C@]56CC[C@@](O)(OC5)C(C)(C)[C@@H]6CC[C@]43C)[C@@H]1[C@@H](C)[C@H](C)C[C@H]2OC(C)=O ZINC000103562799 KK Annotated Anodyne in-vitro biogenic CCCC(=O)OC[C@]12CCC(=C(C)C)[C@@H]1[C@@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)c1cccnc1 ZINC000103564246 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CC[C@]2(C)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@H]3O[C@@]3(C)C[C@H](OC(=O)c3cccnc3)[C@@H]12 ZINC000103564252 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/Cc1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c(C(=O)C(C)C)c1O ZINC000103568123 KK Annotated Mild in-vitro biogenic 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(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)[C@@H]1O ZINC000103569922 KK Annotated Mild in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C4=C\C[C@@H](C)CC#C[C@@H](C[C@@]42[C@]12OC(=O)c1c(CCCN)cccc12)C1=C3C=C[C@@H]2[C@@H](C)CC=C[C@H]12 ZINC000103572781 KK Annotated Mild in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C4=C\C[C@H](C)CC#C[C@@H](C[C@@]42[C@]12OC(=O)c1c(CCCN)cccc12)C1=C3CC[C@@H]2[C@H](C)CC=C[C@H]12 ZINC000103572789 KK Annotated Mild in-vitro biogenic CCC/C(O)=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=CC[C@H](C)[C@H]1C=C4 ZINC000103572806 KK Annotated Anodyne in-vitro biogenic CCC/C(O)=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=CC[C@H](C)[C@H]1CC4 ZINC000103572813 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@]23C[C@@H]4C#CC[C@H]([C@]56C=CC=C[C@H]5CCC6)C/C(O)=C/2OC(=O)[C@]13C=C4 ZINC000103572824 KK Annotated Mild in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C(/O)[C@@H]1CC[C@@H]2CC[C@@H]3C=CC=C[C@@]23C1 ZINC000103572836 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C(/O)[C@H]1C=C[C@H]2CC[C@H]3C=CC=C[C@@]32C1 ZINC000103572848 KK Annotated Anodyne in-vitro biogenic CC[C@H](C)C[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@]23C[C@H]4C#CC[C@H]([C@]56C=CC=C[C@H]5CCC6)C/C=C\2OC(=O)[C@]13C=C4 ZINC000103572868 KK Annotated Mild in-vitro biogenic CC[C@H](C)C[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C(/O)CC[C@]12C=CC=C[C@H]1CCC2 ZINC000103572881 KK Annotated Anodyne in-vitro biogenic CC[C@H](C)C[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C(/O)CCC[C@@H]1CCC[C@@H]2C=CC=C[C@H]21 ZINC000103572893 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@]23C[C@H]4C#CC[C@H]([C@]56C=CC=C[C@H]5CCC6)C/C=C\2OC(=O)[C@]13C=C4 ZINC000103572931 KK Annotated Mild in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C(/O)CC[C@]12C=CC=C[C@H]1CCC2 ZINC000103572946 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C(/O)CCC[C@@H]1CCC[C@@H]2C=CC=C[C@H]21 ZINC000103572956 KK Annotated Anodyne in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@]12/C(=C(\O)CC[C@]12C=CC=C[C@H]1CCC2)OC3=O ZINC000103572964 KK Annotated Anodyne in-vitro biogenic CC(C)CC[C@H](C)CC[C@H](O)[C@]12[C@@H](O)CCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000103573645 KK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#C[C@@H]2C=C[C@H](c5ccc(O)cc52)[C@@H]2C[C@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000103574022 KK Annotated Mild in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#CCc2cc(O)ccc2C[C@@H]2C[C@@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000103574038 KK Annotated Mild in-vitro biogenic C[C@]12CCC[C@]34CC[C@@H](CO)[C@](N)([C@@H]5C#C[C@@H]6C=C[C@H](c7ccc(O)cc76)[C@H]6C[C@H](CC7(CCCC7)C6)[C@@]5(C3)O1)[C@@H]42 ZINC000103574051 KK Annotated Mild in-vitro biogenic C[C@]1(C2CCCC2)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#CCc2cc(O)ccc2C[C@@H]2C[C@@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000103574079 KK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@H]2C#C[C@@H]1C=C[C@H](c2ccc(O)cc21)[C@H]1C[C@@H]3CC2(CCCC2)C1 ZINC000103574094 KK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23[C@H]4CC[C@H]5[C@@H](Cc6ccc(O)cc6CC#C[C@H]2[C@@](N)(CCO)[C@H]1C4)CC1(CCCC1)C[C@H]53 ZINC000103574101 KK Annotated Mild in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#Cc3c(O)cc4cc3C[C@H]3C[C@@H](CSSC[C@@H](C)NCc5ccccc5C4)C[C@H]2[C@H]3C1 ZINC000103574367 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@H]3[C@@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@]5(C)CC[C@@H](SSC5)[C@H](C4)C[C@@H]32)C1 ZINC000103574377 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3Cc4cc(O)cc(c4)[C@@H]4CC[C@@H](N[C@]5(C)CC[C@@H](SSC5)[C@@H](C2)C3)c2ccccc24)C1 ZINC000103574410 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C[C@@H]2CC[C@H]1SSC[C@@H]1C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C[C@H]([C@@]2(C)C=CC[C@H](C)C2)C1 ZINC000103574421 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CC/C=C(\C)CN[C@H](C)CCOC ZINC000103574572 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@]3(O)CCNC)CCC=C(C)C ZINC000103574647 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@@]34/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)CCC=C(C)C ZINC000103574664 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C ZINC000103574757 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@@]3(C)O)CCC=C(C)C ZINC000103574789 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@@]34/C(=C(/C)C=O)[C@H](C=C[C@H]3CCO)C[C@@](C)(O)[C@@]4(CC1)[C@@H]2O)CCC=C(C)C ZINC000103574802 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C ZINC000103574822 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C ZINC000103574856 KK Annotated Reactive in-vitro biogenic C=C1C=C2[C@@]3(CC[C@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]34CC[C@@H](CCCO)[C@@H]3C=C[C@H]3C=C[C@@]5([C@@H]1C5(C)C)[C@]2(C)[C@@H]34 ZINC000103575006 KK Annotated Mild in-vitro biogenic CO[C@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@H]7Nc7cccc(c7)C[C@@H]6C5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575117 KK Annotated Reactive in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@H]7CCC[C@@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@]3(C)[C@@]4(C)[C@@]12O ZINC000103575125 KK Annotated Reactive in-vitro biogenic CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[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)C[C@H]1C2 ZINC000103575136 KK Annotated Reactive in-vitro biogenic CCc1ccc2cc1N[C@@H]([C@H](C)O)CSSC[C@@H]1C[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)C[C@H]1C2 ZINC000103575146 KK Annotated Reactive in-vitro biogenic CO[C@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@]56C[C@H]7CSSC[C@@H]([C@H](C)O)Nc8cccc(c8)C[C@H]7[C@H]5C=CC[C@@](C4)([C@@]12O)[C@]36C ZINC000103575156 KK Annotated Reactive in-vitro biogenic CO[C@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@H]7[C@H]5C=CC[C@@]4([C@@]12O)[C@]36C ZINC000103575167 KK Annotated Reactive in-vitro biogenic CO[C@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(C[C@H]6CSSC[C@@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575176 KK Annotated Reactive in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(C[C@H]6CSSC[C@@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@]3(C)[C@@]4(C)[C@@]12O ZINC000103575185 KK Annotated Reactive in-vitro biogenic CCc1ccc(C[C@@H]2CC[C@]34CC[C@H]5C[C@]6(CC=C[C@@H]23)[C@@]2(O)[C@H](OC)C=C(O)[C@H]2[C@H]5[C@]46C)cc1NC[C@H](C)O ZINC000103575189 KK 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)cc1NC[C@H](C)O ZINC000103575197 KK 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)cc1NC[C@H](C)O ZINC000103575206 KK Annotated Anodyne in-vitro biogenic CCc1ccc(C[C@@H]2C[C@H]3CC[C@H]4C[C@]3(C2)[C@@]2(C)[C@H]3[C@@H]4C[C@]2(C)[C@@]2(O)[C@@H](OC)C=C(O)[C@@H]32)cc1NC[C@H](C)O ZINC000103575213 KK Annotated Anodyne in-vitro biogenic CCc1ccc(C[C@@H]2C[C@]34C[C@H]2CC[C@@H]3C[C@H]2C[C@]3(C)[C@@]5(O)[C@@H](OC)C=C(O)[C@H]5[C@H]2[C@@]34C)cc1NC[C@H](C)O ZINC000103575222 KK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]56CC[C@@H](Cc7cccc(NC[C@H](C)O)c7)[C@@H]5C=CC[C@@](C4)([C@@]12O)[C@]36C ZINC000103575227 KK Annotated Anodyne in-vitro biogenic CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]56CC[C@@H](Cc7cccc(NC[C@H](C)O)c7)[C@@H]5C=CC[C@@]4([C@@]12O)[C@]36C ZINC000103575234 KK 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](Cc3cccc(NC[C@H](C)O)c3)C[C@H]1CC[C@H]4C2 ZINC000103575255 KK 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]6Cc5cccc(NC[C@H](C)O)c5)[C@]3(C)[C@](C)(C4)[C@@]12O ZINC000103575260 KK Annotated Anodyne in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@@]4(CC[C@H](CNC)C4)[C@@H](CO)c4ccc5ccc(cc5c4)C[C@]13C)[C@]2(O)OC ZINC000103575676 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@@H]4c5cc6cc7c(cc6cc5C=C[C@H]4O)CCC[C@@]13C7)[C@@]2(O)OC ZINC000103575710 KK Annotated Mild in-vitro biogenic CNC(=N)NC[C@H]1CC[C@@H]([C@@]2(C)C[C@@H]3/C(=C\CO)C[C@@]4(CC[C@@H](CC[C@@]5(O)CCC[C@H](O)C5)C4)[C@@H]4O[C@]4(C)CC[C@H]32)C1 ZINC000103575966 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](O)[C@H]1CC[C@@H]([C@@]2(C)C[C@@H]3/C(=C\CO)C[C@@]4(CC[C@@H](CC[C@@]5(O)CCC[C@H](O)C5)C4)[C@@H]4O[C@]4(C)CC[C@H]32)C1 ZINC000103575976 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C2/CC[C@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CCC[C@H](O)C3)[C@@H](CCCCCC[C@@H]1C=C(CO)CC1)C2 ZINC000103576063 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@@H]1C/C=C/C[C@@H](C(=O)O)[C@@]2(CCC[C@@H](O)C2)c2cccc(c2)C[C@H]1c1ccc(O)cc1)[C@@H]1C=CCC1 ZINC000103576160 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C3=C/C[C@@H](C(=O)O)Cc4cccc(c4)C[C@@]2(c2ccc(O)cc2)CC3)CC1 ZINC000103576255 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C2/CC[C@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CCC[C@H](O)C3)[C@@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000103576435 KK Annotated Anodyne in-vitro biogenic C=C(/C=C/C=C(/COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000103577800 KK Annotated Reactive in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000103578769 KK Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4ooc5cc6c(cc5oc34)C(=NCC6)C2)CCN1C ZINC000103578914 KK Annotated Bother in-vitro biogenic C/C=C1\CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]69)C/C7=C/C ZINC000103579839 KK Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@@]2(C)[C@H]3CC[C@H]4C[C@@]3(CC[C@H]12)C[C@]41CO[C@H]([C@@H]2C[C@]34CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]3CC[C@H]2C4)O1 ZINC000103580868 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000103580982 KK Annotated Mild in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@]1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C(O)C(CC=C(C)C)=C1O ZINC000103582759 KK Annotated Mild in-vitro biogenic CC(=O)[C@](O)(C1=C(O)[C@@H]2C(=O)[C@@H](C)[C@@H](C)O[C@@H]2[C@](CC=C(C)C)(CC(CC=C(C)C)=C(C)C)C1=O)c1ccccc1 ZINC000103583472 KK Annotated Mild in-vitro biogenic CC(C)=CC[C@@]1(CC(CCC(C)C)=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)[C@@H]2C(=O)[C@@H](C)[C@@H](C)O[C@@H]21 ZINC000103583479 KK Annotated Mild in-vitro biogenic C[C@@]12C=C(c3ccc(O)cc3O1)[C@H]1Oc3cc(-c4cc5ccc(O)cc5o4)cc(OC(=O)c4ccc(O)cc4O)c3[C@H]1C2=O ZINC000103584225 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000103586438 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000103587487 KK Annotated Mild in-vitro biogenic CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C=C/C(=O)O ZINC000103588238 KK Annotated Anodyne in-vivo C=C(N[C@@H](CCSC)C(=O)OC(C)C)c1cc(NC[C@@H]2CC[C@H](SC(=O)c3cccnc3)N2)ccc1CCF ZINC000103591745 KK Annotated Anodyne investigational COc1cccc(CN(Cc2cccnc2)c2nc(/C=C(\C)NC3CC(C)(C)NC(C)(C)C3)ns2)c1 ZINC000103624557 KK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(/N=C2\C=CC(=O)C(C[C@@]3(C)[C@H](C)CC[C@@]4(C)C(C)=CCC[C@H]34)=C2)cc1O ZINC000103625111 KK Annotated Mild COC(=O)CCc1c(C)c2cc3cc(C)c(cc4cc(C)c(cc5nc(cc1n2)c(CCC(=O)OC)c5C)[nH]4)[nH]3 ZINC000103641664 KK Annotated Bother O=C(NCc1cccc(Br)c1)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@H]2N1Cc1ccccc1 ZINC000103674700 KK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1C[C@H]2Cn3c(nc4ccccc43)[C@H]2N1Cc1ccccc1 ZINC000103674705 KK Annotated Anodyne CC(C)C[C@@H](/C(O)=N/C1CCN(Cc2ccccc2)CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O ZINC000103723890 KK Annotated Mild O=C1[C@@H]2[C@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000103751749 KK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2cccc(/C=C/c3ccccc3)c2)[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000103751754 KK Annotated Anodyne O=C1[C@@H]2[C@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000103751791 KK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2cccc(/C=C/c3ccccc3)c2)[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000103751800 KK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(Br)c4)C3=C(O)C2)cc1OC ZINC000103888782 KK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(Br)c4)C3=C(O)C2)cc1OC ZINC000103888786 KK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(Br)c4)C3=C(O)C2)cc1OC ZINC000103888791 KK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(Br)c4)C3=C(O)C2)cc1OC ZINC000103888793 KK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4Br)C3=C(O)C2)cc1OC ZINC000103888981 KK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4Br)C3=C(O)C2)cc1OC ZINC000103888982 KK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4Br)C3=C(O)C2)cc1OC ZINC000103888986 KK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4Br)C3=C(O)C2)cc1OC ZINC000103888988 KK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000103894602 KK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000103894607 KK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000103894613 KK Annotated Anodyne CCOc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(OC)cc4)CC3=NC(C)=C2C(=O)OC2CCCC2)cc1OC ZINC000103894616 KK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103894685 KK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103894690 KK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cc3c(cc2Br)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103894694 KK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(O)CC(C)(C)CC2=N1 ZINC000103894699 KK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O ZINC000103894726 KK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O ZINC000103894729 KK Annotated Anodyne COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O ZINC000103894734 KK Annotated Anodyne COc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O ZINC000103894740 KK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OCC(C)C)c1OC ZINC000103894813 KK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OCC(C)C)c1OC ZINC000103894817 KK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OCC(C)C)c1OC ZINC000103894819 KK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=NC(C)=C2C(=O)OCC(C)C)c1OC ZINC000103894822 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103894882 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(O)C[C@H](c3ccccc3)CC2=N1 ZINC000103894886 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccc(Br)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103894891 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Br)c2)C2=C(O)C[C@@H](c3ccccc3)CC2=N1 ZINC000103894895 KK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Br)OCO3)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000103895098 KK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Br)OCO3)C[C@@H](c2ccc(Cl)cc2)C1 ZINC000103895101 KK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@@H]2c2cc3c(cc2Br)OCO3)C[C@H](c2ccc(Cl)cc2)C1 ZINC000103895104 KK Annotated Anodyne OC1=C2C(=Nc3ccccc3N[C@H]2c2cc3c(cc2Br)OCO3)C[C@H](c2ccc(Cl)cc2)C1 ZINC000103895109 KK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)ccc1OCc1ccccc1 ZINC000103895140 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)ccc1OCc1ccccc1 ZINC000103895145 KK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)ccc1OCc1ccccc1 ZINC000103895149 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)ccc1OCc1ccccc1 ZINC000103895155 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103895279 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1Nc2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103895283 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103895287 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1Nc2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C21 ZINC000103895291 KK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4OCc4ccccc4)C3=C(O)C2)cc1 ZINC000103895328 KK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4OCc4ccccc4)C3=C(O)C2)cc1 ZINC000103895330 KK Annotated Anodyne COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4OCc4ccccc4)C3=C(O)C2)cc1 ZINC000103895332 KK Annotated Anodyne COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4OCc4ccccc4)C3=C(O)C2)cc1 ZINC000103895336 KK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000103902343 KK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000103902347 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103911560 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103911564 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103911570 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccc(Cl)cc3)CC2=N1 ZINC000103911575 KK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(Br)c1 ZINC000103914464 KK Annotated Anodyne CCSCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(Br)c1 ZINC000103914467 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000103917736 KK Annotated Anodyne CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(O)CC(C)(C)CC2=N1 ZINC000103917743 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)sc2c1CCCC2 ZINC000103918328 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)sc2c1CCCC2 ZINC000103918332 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)sc2c1CCCC2 ZINC000103918336 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)sc2c1CCCC2 ZINC000103918341 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(/C(O)=N/c3sc4c(c3-c3nc5ccccc5s3)CCN(C)C4)cc2)C1 ZINC000103925572 KK Annotated Mild C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(/C(O)=N/c3sc4c(c3-c3nc5ccccc5s3)CCN(C)C4)cc2)C1 ZINC000103925579 KK Annotated Mild C[C@H]1CCCCN1S(=O)(=O)c1ccc(/C(O)=N/c2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 ZINC000103926032 KK Annotated Mild O=S(=O)(c1cc(/C(O)=N/c2cccc(C(F)(F)F)c2)ccc1F)N1CCN(c2ccccc2F)CC1 ZINC000103934425 KK Annotated Mild COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)c1OC ZINC000103934877 KK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)c1OC ZINC000103934883 KK Annotated Anodyne COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)c1OC ZINC000103934887 KK Annotated Anodyne COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=NC(C)=C2C(=O)OC2CCCCC2)c1OC ZINC000103934891 KK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4N=C4C[C@@H](c5ccc(OC)c(OC)c5)CC(O)=C43)ccc21 ZINC000103934982 KK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4N=C4C[C@@H](c5ccc(OC)c(OC)c5)CC(O)=C43)ccc21 ZINC000103934985 KK Annotated Anodyne CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4N=C4C[C@H](c5ccc(OC)c(OC)c5)CC(O)=C43)ccc21 ZINC000103934986 KK Annotated Anodyne CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4N=C4C[C@H](c5ccc(OC)c(OC)c5)CC(O)=C43)ccc21 ZINC000103934989 KK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc(Br)c1O ZINC000103935272 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc(Br)c1O ZINC000103935278 KK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc(Br)c1O ZINC000103935282 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc(Br)c1O ZINC000103935286 KK Annotated Anodyne CC1=C(/C(O)=N/c2nc3ccc(Br)cc3s2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103939745 KK Annotated Anodyne CC1=C(/C(O)=N/c2nc3ccc(Br)cc3s2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 ZINC000103939750 KK Annotated Anodyne CCCCCCCCCCN(CCCCCCCCCC)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 ZINC000103945126 KK Annotated Mild CCCCCCCCCCN(CCCCCCCCCC)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21 ZINC000103945131 KK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[C@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C[C@H]12 ZINC000103945501 KK Annotated Mild Cc1ccc([C@@H]2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000103945522 KK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc(Br)c1O ZINC000103946968 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc(Br)c1O ZINC000103946973 KK Annotated Anodyne COc1cc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc(Br)c1O ZINC000103946978 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc(Br)c1O ZINC000103946983 KK Annotated Anodyne C[C@]12CCCC(=O)[C@]1(C)C[C@@H]1[C@@H](CN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000103947137 KK Annotated Anodyne C[C@]12C[C@@H]3[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]1(C)CCCC2=O ZINC000103947144 KK Annotated Anodyne C[C@]12CCCC(=O)[C@]1(C)C[C@H]1[C@@H](C2)OC(=O)[C@H]1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103947150 KK Annotated Anodyne C[C@]12C[C@H]3[C@@H](C[C@@]1(C)CCCC2=O)OC(=O)[C@H]3CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000103947155 KK Annotated Anodyne CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c32)cc1 ZINC000103947740 KK Annotated Anodyne CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c32)cc1 ZINC000103947746 KK Annotated Anodyne C/C(=C\c1nsc(Nc2ccc(F)c(Cl)c2)n1)N1CCN(/C(C)=C/c2nsc(Nc3ccc(F)c(Cl)c3)n2)CC1 ZINC000103948036 KK Annotated Anodyne COc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc(OC)c1OC ZINC000103948037 KK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4Cl)nc(O)c32)cc(OC)c1OC ZINC000103948040 KK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc(OC)c1OC ZINC000103948207 KK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nc(O)c32)cc(OC)c1OC ZINC000103948216 KK Annotated Anodyne CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc(C(C)(C)C)c1O ZINC000103948464 KK Annotated Reactive CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc(C(C)(C)C)c1O ZINC000103948468 KK Annotated Reactive CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c32)cc1 ZINC000103948491 KK Annotated Anodyne CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc(O)c32)cc1 ZINC000103948495 KK Annotated Anodyne COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4Cl)nn32)cc(OC)c1OC ZINC000103948835 KK Annotated Anodyne CC(C)(C)c1cc(C([P@](=O)(O)CCc2ccccc2)[P@](=O)(O)CCc2ccccc2)cc(C(C)(C)C)c1O ZINC000103948841 KK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4Cl)nn32)cc(OC)c1OC ZINC000103948842 KK Annotated Anodyne CC(C)(C)c1cc(C([P@](=O)(O)CCc2ccncc2)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O ZINC000103948859 KK Annotated Anodyne CC(C)(C)c1cc(C(O)([P@](=O)(O)CCc2ccccn2)[P@](=O)(O)CCc2ccccn2)cc(C(C)(C)C)c1O ZINC000103948873 KK Annotated Anodyne CC(C)(C)c1cc(C(O)([P@](=O)(O)CCc2ccccc2)[P@](=O)(O)CCc2ccccc2)cc(C(C)(C)C)c1O ZINC000103948883 KK Annotated Anodyne CC(C)(C)c1cc(C([P@](=O)(O)CCc2ccccn2)[P@](=O)(O)CCc2ccccn2)cc(C(C)(C)C)c1O ZINC000103948892 KK Annotated Anodyne Cc1ccc(C(=O)N(c2ccccc2)[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[P@](=O)(O)CCc2ccccn2)cc1 ZINC000103948907 KK Annotated Anodyne Cc1ccc(C(=O)N(c2ccccc2)[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[P@](=O)(O)CCc2ccccn2)cc1 ZINC000103948911 KK Annotated Anodyne CC(C)(C)c1cc(C(O)([P@](=O)(O)CCc2ccncc2)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O ZINC000103948998 KK Annotated Anodyne CC(C)(C)c1cc(C([P@](=O)(O)[C@H](O)c2cccnc2)[P@](=O)(O)[C@H](O)c2cccnc2)cc(C(C)(C)C)c1O ZINC000103949013 KK Annotated Anodyne CC(C)(C)c1cc([C@@H](N(C(=O)c2cccc(F)c2)c2ccccc2)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O ZINC000103949026 KK Annotated Anodyne CC(C)(C)c1cc([C@H](N(C(=O)c2cccc(F)c2)c2ccccc2)[P@](=O)(O)CCc2ccncc2)cc(C(C)(C)C)c1O ZINC000103949029 KK Annotated Anodyne C/C(=N/Nc1cccc(Cl)c1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(Cl)c3)C(=O)[C@@]12C ZINC000103949064 KK Annotated Mild C/C(=N/Nc1cccc(Cl)c1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(Cl)c3)C(=O)[C@]12C ZINC000103949067 KK Annotated Mild C/C(=N/Nc1ccc(F)cc1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(F)cc3)C(=O)[C@@]12C ZINC000103949073 KK Annotated Mild C/C(=N/Nc1ccc(F)cc1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(F)cc3)C(=O)[C@]12C ZINC000103949077 KK Annotated Mild C/C(=N/Nc1ccc(Cl)cc1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Cl)cc3)C(=O)[C@@]12C ZINC000103949091 KK Annotated Mild C/C(=N/Nc1ccc(Cl)cc1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Cl)cc3)C(=O)[C@]12C ZINC000103949094 KK Annotated Mild COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc(OC)c1OC ZINC000103949497 KK Annotated Anodyne COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc(OC)c1OC ZINC000103949501 KK Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000103950288 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000103950292 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(F)cc1 ZINC000103950303 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(F)cc1 ZINC000103950309 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 ZINC000103950316 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 ZINC000103950321 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccccc1Cl ZINC000103950334 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccccc1Cl ZINC000103950339 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000103950346 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1cccc(Cl)c1 ZINC000103950350 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000103950363 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000103950368 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 ZINC000103950381 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 ZINC000103950386 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2cc(-c3ccc(Cl)cc3)nn2C(N)=C1C#N ZINC000103950441 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2cc(-c3ccc(Cl)cc3)nn2C(N)=C1C#N ZINC000103950446 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2cc(OC)cc(OC)c2)C(N)=C1C#N ZINC000103950497 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2cc(OC)cc(OC)c2)C(N)=C1C#N ZINC000103950500 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N ZINC000103950520 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N ZINC000103950524 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCCC2 ZINC000103950586 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCCC2 ZINC000103950589 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCCC2 ZINC000103950598 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCCC2 ZINC000103950603 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 ZINC000103950609 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 ZINC000103950614 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(Cl)cc2Cl)C2=C1CCC2 ZINC000103950623 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(Cl)cc2Cl)C2=C1CCC2 ZINC000103950627 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 ZINC000103950637 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 ZINC000103950641 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1CCC2 ZINC000103950648 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1CCC2 ZINC000103950652 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCC2 ZINC000103950661 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCC2 ZINC000103950667 KK Annotated Reactive CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2cc(Cl)ccc2Cl)=C1C#N ZINC000103950763 KK Annotated Reactive CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2cc(Cl)ccc2Cl)=C1C#N ZINC000103950768 KK Annotated Reactive CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(C(F)(F)F)cc2)=C1C#N ZINC000103950774 KK Annotated Reactive CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(C(F)(F)F)cc2)=C1C#N ZINC000103950776 KK Annotated Reactive CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(Cl)cc2Cl)=C1C#N ZINC000103950784 KK Annotated Reactive CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(Cl)cc2Cl)=C1C#N ZINC000103950790 KK Annotated Reactive CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1CCC2 ZINC000103950832 KK Annotated Reactive CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1CCC2 ZINC000103950837 KK Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2NC(=O)[C@@H]1C#N ZINC000103950873 KK Annotated Mild CCOP(=O)(OCC)[C@@]1(C(F)(F)F)c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2NC(=O)[C@@H]1C#N ZINC000103950877 KK Annotated Mild CCOP(=O)(OCC)[C@]1(C(F)(F)F)c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2NC(=O)[C@H]1C#N ZINC000103950881 KK Annotated Mild CCOP(=O)(OCC)[C@@]1(C(F)(F)F)c2c(C)nn(-c3ccc(C(F)(F)F)cc3)c2NC(=O)[C@H]1C#N ZINC000103950883 KK Annotated Mild CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 ZINC000103951075 KK Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 ZINC000103951082 KK Annotated Reactive CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(OC)ccc2OC)C2=C1CCCC2 ZINC000103951089 KK Annotated Reactive CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(OC)ccc2OC)C2=C1CCCC2 ZINC000103951095 KK Annotated Reactive CCOC(=O)[C@]1(C(F)(F)F)C2=C(CCC2)NC(Nc2cccc(Cl)c2)=C1P(=O)(OCC)OCC ZINC000103951102 KK Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)C2=C(CCC2)NC(Nc2cccc(Cl)c2)=C1P(=O)(OCC)OCC ZINC000103951109 KK Annotated Anodyne CCOP(=O)(OCC)C1=C(N)N(c2ccc(OC)cc2)C2=C(CCC2)C1(C(F)(F)F)C(F)(F)F ZINC000103951118 KK Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2cc(OC)cc(OC)c2)C2=CCCC[C@H]21 ZINC000103951128 KK Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2cc(OC)cc(OC)c2)C2=CCCC[C@H]21 ZINC000103951136 KK Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2cc(OC)cc(OC)c2)C2=CCCC[C@@H]21 ZINC000103951142 KK Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2cc(OC)cc(OC)c2)C2=CCCC[C@@H]21 ZINC000103951146 KK Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2ccc(OC)cc2)C2=CCCC[C@H]21 ZINC000103951155 KK Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2ccc(OC)cc2)C2=CCCC[C@H]21 ZINC000103951159 KK Annotated Anodyne CCOC(=O)[C@@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2ccc(OC)cc2)C2=CCCC[C@@H]21 ZINC000103951163 KK Annotated Anodyne CCOC(=O)[C@]1(C(F)(F)F)C(P(=O)(OCC)OCC)=C(N)N(c2ccc(OC)cc2)C2=CCCC[C@@H]21 ZINC000103951167 KK Annotated Anodyne CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl ZINC000103951247 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl ZINC000103951252 KK Annotated Reactive COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@H]1c1cc(C)ccc1C ZINC000103957900 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@@H]1c1cc(C)ccc1C ZINC000103957908 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@H]1c1cc(C)ccc1C ZINC000103957912 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@@H]1c1cc(C)ccc1C ZINC000103957916 KK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103957925 KK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103957929 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103957934 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@@H](c4cccc(C)c4)C3=C(O)C2)cc1OC ZINC000103957938 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1OC ZINC000103958062 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1OC ZINC000103958070 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4ccccc4Cl)C3=C(O)C2)cc1OC ZINC000103958077 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4ccccc4Cl)C3=C(O)C2)cc1OC ZINC000103958081 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)C3=C(O)C2)cc1OC ZINC000103958312 KK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@@H](c4ccc([N+](=O)[O-])cc4)C3=C(O)C2)cc1OC ZINC000103958320 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)C3=C(O)C2)cc1OC ZINC000103958327 KK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@H](c4ccc([N+](=O)[O-])cc4)C3=C(O)C2)cc1OC ZINC000103958333 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000103958341 KK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000103958347 KK Annotated Mild COc1ccc([C@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000103958353 KK Annotated Mild COc1ccc([C@@H]2CC3=NC(C)=C(/C(O)=N/c4ccccc4C)[C@H](c4ccsc4)C3=C(O)C2)cc1OC ZINC000103958358 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@H]1c1ccc(SC)cc1 ZINC000103958458 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@@H]1c1ccc(SC)cc1 ZINC000103958467 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@H]1c1ccc(SC)cc1 ZINC000103958473 KK Annotated Mild COc1ccccc1/N=C(\O)C1=C(C)N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@@H]1c1ccc(SC)cc1 ZINC000103958480 KK Annotated Mild COc1ccc(NC(=O)C2=C(C)N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C3[C@H]2c2ccccc2C)cc1 ZINC000103958621 KK Annotated Anodyne COc1ccc(NC(=O)C2=C(C)N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(O)=C3[C@@H]2c2ccccc2C)cc1 ZINC000103958626 KK Annotated Anodyne COc1ccc(NC(=O)C2=C(C)N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C3[C@H]2c2ccccc2C)cc1 ZINC000103958632 KK Annotated Anodyne COc1ccc(NC(=O)C2=C(C)N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(O)=C3[C@@H]2c2ccccc2C)cc1 ZINC000103958638 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103958645 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103958652 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103958658 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4ccc(C)o4)C3=C(O)C2)cc1OC ZINC000103958662 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1OC ZINC000103958766 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1OC ZINC000103958769 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1OC ZINC000103958773 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1OC ZINC000103958778 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103958861 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103958866 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103958868 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccc(C)cc4)[C@H](c4cccs4)C3=C(O)C2)cc1OC ZINC000103958872 KK Annotated Anodyne CC1(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 ZINC000103961714 KK Annotated Reactive COc1cc(OC)c(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccc(Cl)cc2)cc1Cl ZINC000103965307 KK Annotated Anodyne CC(C)(C)c1ccc(C(=O)Nc2cc(/C(O)=N/[C@@H]3CCCCN=C3O)ccc2N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 ZINC000103968495 KK Annotated Mild CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(Br)cc1OC ZINC000103970948 KK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(Br)cc1OC ZINC000103970952 KK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c(Br)cc1OC ZINC000103970957 KK Annotated Anodyne CO/C(O)=C1\C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(Br)cc1OC ZINC000103970962 KK Annotated Anodyne Cc1ccc(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2ccc(Br)cc2)cc1Cl ZINC000103970995 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)[nH]n1 ZINC000103971214 KK Annotated Clean COc1cc(OC)c(/N=C(\O)CSc2nc3nncc-3c(O)n2-c2cccc(C(F)(F)F)c2)cc1Cl ZINC000103971818 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)F)N3NC=C(C(=O)Nc4c(C)nn(Cc5c(F)cccc5Cl)c4C)C3=N2)cc1 ZINC000103999661 KK Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)F)N3NC=C(C(=O)Nc4c(C)nn(Cc5c(F)cccc5Cl)c4C)C3=N2)cc1 ZINC000103999667 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)F)N3NC=C(C(=O)Nc4c(C)nn(Cc5c(F)cccc5Cl)c4C)C3=N2)cc1 ZINC000103999671 KK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)F)N3NC=C(C(=O)Nc4c(C)nn(Cc5c(F)cccc5Cl)c4C)C3=N2)cc1 ZINC000103999674 KK Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000104000135 KK Annotated Anodyne O=C(C1=CNN2C1=N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000104000140 KK Annotated Anodyne O=C(C1=CNN2C1=N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000104000147 KK Annotated Anodyne O=C(C1=CNN2C1=N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000104000155 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@@H]3C(F)F)sc2c1CCCC2 ZINC000104009649 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@@H]3C(F)F)sc2c1CCCC2 ZINC000104009654 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@H](c2ccccc2)C[C@H]3C(F)F)sc2c1CCCC2 ZINC000104009659 KK Annotated Anodyne CC(C)OC(=O)c1c(NC(=O)C2=CNN3C2=N[C@@H](c2ccccc2)C[C@H]3C(F)F)sc2c1CCCC2 ZINC000104009663 KK Annotated Anodyne CC1CCCOc2ccc(cc2)/C=N\c2ccc(cc2)CCc2ccc(cc2)/N=C/c2ccc(cc2)OCCC1 ZINC000104011465 KK Annotated Anodyne CC1CCCOc2ccc(cc2)/C=N/c2ccc(cc2)CCc2ccc(cc2)/N=C/c2ccc(cc2)OCCC1 ZINC000104011474 KK Annotated Anodyne COc1ccc(CN(C(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)c2ccc(F)cc2)cc1OC ZINC000104021444 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N=C3C2=C(c2ccccc2)NN3c2ccccc2)C(=O)Nc2ccccc21 ZINC000104034274 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@]1(N=C3C2=C(c2ccccc2)NN3c2ccccc2)C(=O)Nc2ccccc21 ZINC000104034281 KK Annotated Anodyne C=C(C[C@]1(C(=O)OC)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@@](CC=C(C)C)(C1)C2=O)C(=O)OC ZINC000104059436 KK Annotated Mild BrC1=CC=C2NCCCCCC/N=C3/C=CC(Br)=CC=C3NCCCCCC/N=C\2C=C1 ZINC000104078611 KK Annotated Clean BrC1=CC=C2NCCCCCC/N=C3\C=CC(Br)=CC=C3NCCCCCC/N=C/2C=C1 ZINC000104078614 KK Annotated Clean O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2cc(F)ccc2OC[C@H]2CCCO2)n[nH]1 ZINC000104131766 KK Annotated Mild O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(-c2cc(F)ccc2OC[C@@H]2CCCO2)n[nH]1 ZINC000104131770 KK Annotated Mild Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccccc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000104155357 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCc2ccccc2)c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)cc1 ZINC000104159092 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CC(=O)OCC)nc2n1 ZINC000104185042 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CSCc3ccccc3)nc2n1 ZINC000104185059 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CCC(=O)OCC)nc2n1 ZINC000104185074 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CCSC)nc2n1 ZINC000104185636 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(Cc3ccccc3)nc2n1 ZINC000104185704 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 ZINC000104185729 KK Annotated Mild COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(OC)c(OC)c3c1[C@H](C2)N(C)CC3)O4 ZINC000104193277 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000104211664 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000104212279 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000104212285 KK Annotated Anodyne O=C(N[C@@H]1CC=C[C@H](c2ccccc2)N(c2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000104212910 KK Annotated Anodyne O=C(N[C@@H]1CC=C[C@@H](c2ccccc2)N(c2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000104212920 KK Annotated Anodyne CC(C)(C)NC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000104214696 KK Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O ZINC000104214700 KK Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N/c1ccc(cc1)-c1ccc(cc1)/N=C\2 ZINC000104252751 KK Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N/c1ccc(cc1)-c1ccc(cc1)/N=C/2 ZINC000104252758 KK Annotated Anodyne O=C(NCc1ccccc1Cl)c1cccc2c1C(=O)c1ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc1S2(=O)=O ZINC000104261506 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](CC(=O)c4ccccc4)[C@H](C)[C@H]32)cc1 ZINC000104262084 KK Annotated Anodyne CC1CCOc2ccc(cc2)/C=N\c2ccc(cc2)CCc2ccc(cc2)/N=C/c2ccc(cc2)OCC1 ZINC000104291112 KK Annotated Anodyne CC1CCOc2ccc(cc2)/C=N/c2ccc(cc2)CCc2ccc(cc2)/N=C/c2ccc(cc2)OCC1 ZINC000104291117 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccc(F)cc2)cc1OCc1ccccc1 ZINC000104321608 KK Annotated Bother COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104321691 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC2CCCCC2)cc1OCc1ccccc1 ZINC000104321774 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000104321855 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])cc1OC ZINC000104321859 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000104321866 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])cc1OC ZINC000104321872 KK Annotated Bother COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104321878 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCCCN(C)c1ccccc1 ZINC000104321885 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104321891 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104321897 KK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000104321914 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCc2ccc(F)cc2)cc1OCc1ccccc1 ZINC000104322435 KK Annotated Bother COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000104322477 KK Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104322656 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104322664 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104322675 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104322682 KK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000104322689 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104322704 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)cc3F)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104322712 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(OC)c(OC)c1OC ZINC000104323367 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(OC)c(OC)c1OC ZINC000104323371 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(OC)c(OC)c1OC ZINC000104323378 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(OC)c(OC)c1OC ZINC000104323385 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104323439 KK Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104323443 KK Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104323449 KK Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104323456 KK Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104323463 KK Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104323468 KK Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104323473 KK Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104323478 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000104323510 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000104323516 KK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104323536 KK Annotated Anodyne CCOc1ccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000104323541 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000104323548 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000104323556 KK Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(OC)c(OC)c1OC ZINC000104323704 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(OC)c(OC)c1OC ZINC000104323711 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104323732 KK Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000104323737 KK Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000104323743 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000104323749 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000104324265 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000104324268 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000104324273 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000104324277 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104324323 KK Annotated Bother CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104324325 KK Annotated Bother CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104324329 KK Annotated Bother CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000104324335 KK Annotated Bother CCOc1cccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H](CO)Cc2ccccc2)c1 ZINC000104324360 KK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H](CO)Cc2ccccc2)c1 ZINC000104324364 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000104324378 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000104324382 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCc2c[nH]c3ccccc23)cc1OCc1ccccc1 ZINC000104324467 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)NCC(C)(C)CO)cc1OCc1ccccc1 ZINC000104324953 KK Annotated Anodyne COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCC(C)(C)CO)c([N+](=O)[O-])cc1OC ZINC000104324962 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCC(C)(C)CO)cc1OC ZINC000104324967 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104324974 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000104325003 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104325049 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104325096 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2ccccc2F)cc1OCc1ccccc1 ZINC000104325319 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000104325327 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(C(C)C)cc2)ccc1OC ZINC000104325342 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCCc1ccc(CC)cc1 ZINC000104325356 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(Br)ccc2F)cc1 ZINC000104325365 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000104325375 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000104325395 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000104325439 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000104325442 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000104325515 KK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000104325556 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCc2ccccc2F)cc1OCc1ccccc1 ZINC000104325830 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(F)cc2Cl)ccc1OC ZINC000104325853 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccoc2)ccc1OC ZINC000104325861 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccccc2OC)cc1 ZINC000104325899 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000104325903 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC ZINC000104326405 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(-c4ccccc4)cc3)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000104326455 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000104326462 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCOCCO)cc1OC ZINC000104326498 KK Annotated Anodyne COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCC(C)C)c([N+](=O)[O-])cc1OC ZINC000104326584 KK Annotated Bother COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000104326903 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCOCCO)cc1OCc1ccccc1 ZINC000104326908 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(F)cc2Cl)cc1OC ZINC000104326966 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2c(F)cccc2Cl)ccc1OC ZINC000104329584 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000104329798 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3ccccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000104330888 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3ccccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000104330891 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3ccccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000104330893 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3ccccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000104330897 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000104349598 KK Annotated Mild in-man CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350009 KK Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350015 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350021 KK Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350026 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000104350215 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000104350220 KK Annotated Bother in-man CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350326 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350333 KK Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350339 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350343 KK Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350400 KK Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104350404 KK Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350410 KK Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104350415 KK Annotated Mild CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350508 KK Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350514 KK Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350520 KK Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000104350526 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)CCCC2(C)C ZINC000104351013 KK Annotated Bother in-man CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352159 KK Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352165 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352168 KK Annotated Anodyne CC(C)C[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352175 KK Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104352305 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104352312 KK Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104352317 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104352322 KK Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104352328 KK Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104352333 KK Annotated Anodyne CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352339 KK Annotated Anodyne CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104352344 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@]12[C@H]3[C@H](C(C)C)CC[C@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@]1(C)CO[C@]2(C)CC[C@@H]1O2 ZINC000104352466 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@@]12[C@H]3[C@@H](C(C)C)CC[C@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@]1(C)CO[C@]2(C)CC[C@@H]1O2 ZINC000104352471 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@@]12[C@H]3[C@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@]1(C)CO[C@]2(C)CC[C@@H]1O2 ZINC000104352477 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@@]12[C@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@]1(C)CO[C@]2(C)CC[C@@H]1O2 ZINC000104352483 KK Annotated Anodyne in-man CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352554 KK Annotated Anodyne CSCC[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352558 KK Annotated Anodyne CSCC[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352563 KK Annotated Anodyne CSCC[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104352566 KK Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104353746 KK Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104353750 KK Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104353755 KK Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104353758 KK Annotated Mild CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104353884 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104353891 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2C(C)C)cc1 ZINC000104353894 KK Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104354939 KK Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104354947 KK Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104354951 KK Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000104354957 KK Annotated Anodyne CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104357204 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104357208 KK Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104357211 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104357216 KK Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104359168 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104359170 KK Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104359177 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104359182 KK Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104359336 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104359341 KK Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104359345 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104359350 KK Annotated Anodyne CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000104360555 KK Annotated Mild in-man CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000104360560 KK Annotated Mild in-man CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000104360664 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000104360669 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000104360673 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000104360677 KK Annotated Anodyne C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000104360760 KK Annotated Anodyne in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000104360764 KK Annotated Anodyne in-man CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C/[C@H]3CCC[C@H](C)[C@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000104361269 KK Annotated Mild in-man CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C/[C@@H]3CCC[C@@H](C)[C@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000104361273 KK Annotated Mild in-man CO[C@H](C)[C@H]1C[C@@H](C)[C@@H]([C@H](C)/C=C\[C@H]2CC[C@@H](C)[C@@H](/C(=C/[C@@H]3CCC[C@H](C)[C@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000104361276 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000104361680 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000104361684 KK Annotated Mild in-man CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104363950 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104363953 KK Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104363956 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104363962 KK Annotated Anodyne CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)C[C@@H]3O ZINC000104364457 KK Annotated Anodyne in-man CC(=O)O[C@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)C[C@@H]3O ZINC000104364462 KK Annotated Anodyne in-man CC(=O)O[C@@H]1CC(C)(C)C[C@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)C[C@@H]3O ZINC000104364465 KK Annotated Anodyne in-man CC(=O)O[C@H]1CC(C)(C)C[C@H]2[C@@]13CO[C@@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)C[C@@H]3O ZINC000104364470 KK Annotated Anodyne in-man C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104365663 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104365669 KK Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104365675 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)CC(C)(C)C ZINC000104365679 KK Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104365827 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104365834 KK Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104365840 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000104365847 KK Annotated Anodyne CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C ZINC000104366747 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000104366752 KK Annotated Mild in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000104367172 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000104367178 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000104367189 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000104367194 KK Annotated Bother in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)O[C@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000104367338 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000104367342 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000104367344 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000104367347 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000104368535 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000104368540 KK Annotated Mild in-man endogenous CCCC[C@@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104370000 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104370004 KK Annotated Anodyne CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104370006 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104370008 KK Annotated Anodyne CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104370029 KK Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104370033 KK Annotated Mild CCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104370036 KK Annotated Mild CCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104370040 KK Annotated Mild CC(=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)/C=C/[C@@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000104370126 KK Annotated Mild in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000104370234 KK Annotated Anodyne in-man Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104371277 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104371279 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104371283 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104371287 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104371400 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104371402 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000104371407 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000104371410 KK Annotated Anodyne 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(=O)[C@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000104371414 KK Annotated Mild in-man endogenous 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(=O)[C@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000104371419 KK Annotated Mild in-man endogenous 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(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000104371423 KK Annotated Mild in-man 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(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000104371427 KK Annotated Mild in-man Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104372315 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104372320 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000104372323 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000104372326 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000104373839 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)CC[C@H](O)C1(C)C ZINC000104373842 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@H](O)C1(C)C ZINC000104373845 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)CC[C@@H](O)C1(C)C ZINC000104373848 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000104373853 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000104373858 KK Annotated Mild in-man C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000104373862 KK Annotated Mild in-man CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000104374374 KK Annotated Bother in-man CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000104374377 KK Annotated Bother in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000104375164 KK Annotated Reactive in-man endogenous CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000104375165 KK Annotated Reactive in-man C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000104377711 KK Annotated Mild in-man endogenous C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000104377716 KK Annotated Mild in-man CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380266 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380268 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380274 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380278 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380283 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380287 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380291 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380294 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380394 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380400 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380405 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380413 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380417 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380420 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104380421 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104380424 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381362 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381366 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381371 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381375 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@H](C)CC ZINC000104381380 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381384 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000104381390 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381396 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000104381418 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104381421 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000104381426 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104381429 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381450 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381453 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381456 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381459 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381468 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381476 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381481 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381486 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381491 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381495 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381500 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381504 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381511 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381516 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381523 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381528 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381537 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381542 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381547 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381553 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381580 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104381587 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381593 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104381600 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381607 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381610 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381617 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381622 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381630 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104381635 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381642 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104381648 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104381748 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104381752 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000104381755 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000104381759 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104381763 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000104381766 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CC(C)C ZINC000104381770 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CC(C)C ZINC000104381773 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000104381805 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000104381808 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CC(C)C ZINC000104381812 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CC(C)C ZINC000104381815 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000104381925 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000104381928 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1C(C)C ZINC000104381933 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1C(C)C ZINC000104381936 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCSC ZINC000104381988 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCSC ZINC000104381992 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCSC ZINC000104381996 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCSC ZINC000104382001 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCSC ZINC000104382007 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCSC ZINC000104382011 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCSC ZINC000104382015 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCSC ZINC000104382019 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104382024 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104382029 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104382032 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104382037 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000104382782 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000104382784 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000104382787 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104382790 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000104382804 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000104382806 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000104382809 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000104382812 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382838 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382846 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382850 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382855 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382863 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382867 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382874 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382880 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382886 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382892 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382897 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382901 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382920 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382925 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000104382927 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccc(O)cc1 ZINC000104382930 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382936 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382940 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382943 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382945 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382950 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382955 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1Cc1ccccc1 ZINC000104382958 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104382963 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000104383159 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000104383162 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CC(C)C ZINC000104383166 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CC(C)C ZINC000104383169 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000104383195 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000104383198 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CC(C)C ZINC000104383201 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CC(C)C ZINC000104383205 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383335 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383340 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383345 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383348 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383390 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383394 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383396 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383399 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383403 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383407 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383411 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383415 KK Annotated Mild CC1=C[C@@H](C2=C(C)[C@H]3/C=C(\C)[C@@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000104383423 KK Annotated Anodyne in-man CC1=C[C@@H](C2=C(C)[C@H]3/C=C(\C)[C@@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000104383429 KK Annotated Anodyne in-man CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383456 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383460 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383465 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383469 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383472 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383475 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000104383478 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000104383482 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cccnc12 ZINC000104384220 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cccnc12 ZINC000104384223 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104384409 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104384414 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1Cc1ccccc1 ZINC000104384417 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1Cc1ccccc1 ZINC000104384421 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104384904 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104384909 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104384913 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104384916 KK Annotated Mild CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104385530 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104385533 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104385543 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104385577 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104385579 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104385676 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104385682 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104385685 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104385690 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104385693 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104385699 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104385703 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104385706 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104385710 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000104385736 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000104385741 KK Annotated Mild CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104385797 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104385800 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104385809 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104385813 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104385818 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104385822 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000104385853 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000104385857 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104385876 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104385879 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104385882 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104385886 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104385893 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104385896 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104385901 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104385906 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104385976 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104385979 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104385983 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104385985 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104386735 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104386740 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104386751 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104386758 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104386847 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104386850 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104386853 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104386858 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104386879 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104386882 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104386896 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104386900 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000104386906 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000104386909 KK Annotated Mild Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104386926 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104386930 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104387423 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104387428 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104387452 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104387457 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104387475 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104387479 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000104387490 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000104387497 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104387548 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104387554 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104387597 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104387603 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104387613 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104387616 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104387638 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104387643 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104387646 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104387651 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104387662 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104387666 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104387671 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104387672 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104387676 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104387678 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000104387683 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000104387686 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000104387692 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000104387697 KK Annotated Mild COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104387705 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104387710 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104387750 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104387756 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104387766 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104387769 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104387778 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104387781 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104387784 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104387788 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000104387792 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000104387796 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000104387799 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000104387802 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104387806 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104387810 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104387814 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104387818 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104387821 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104387825 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104387829 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104387835 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104387840 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104387845 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104387850 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104387854 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104387859 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104387862 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104387871 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104387874 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104387876 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104387880 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104387891 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104387896 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104387901 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104387905 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104389665 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104389672 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104389677 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104389682 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104389685 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104389691 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104389697 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104389701 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104389854 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104389857 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104389861 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104389864 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104389871 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104389879 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104389883 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104389890 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104389894 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104389902 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104389908 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104389913 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104389916 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104389998 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390003 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104390007 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104390010 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390015 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390017 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390021 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390025 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390031 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104390035 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104390041 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104390046 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104390050 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104390053 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104390057 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104390061 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104390066 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104390070 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104390082 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104390090 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391095 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391098 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391103 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391107 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104391117 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104391118 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104391125 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104391130 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391160 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391163 KK Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104391179 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104391182 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104391186 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104391189 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104391204 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104391207 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104391211 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104391214 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391219 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391225 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391232 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391238 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391277 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391281 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391284 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391287 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391911 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104391917 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391924 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104391931 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104391940 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104391943 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104391946 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104391950 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104391955 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104391957 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104391962 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104391967 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104391973 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104391975 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104391999 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392002 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104392005 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104392008 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392011 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392014 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392019 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392022 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392056 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392061 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392066 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392069 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392094 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392097 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392133 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392138 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392150 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392155 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392161 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392165 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104392172 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104392175 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104392179 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104392184 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392188 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392193 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392197 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392202 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392206 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392209 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104392216 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104392221 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104392226 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104392230 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392234 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392237 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104392240 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104392242 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392247 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392251 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392258 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392263 KK Annotated Mild COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392268 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392273 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392295 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392299 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392343 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392349 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392354 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104392357 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392361 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392366 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104392370 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104392373 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104392378 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104392382 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392387 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104392391 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392395 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104392398 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392403 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392408 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104392415 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104392418 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104392425 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104392429 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392435 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104392439 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392451 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392454 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392458 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392462 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392466 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104392468 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392517 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392524 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392527 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104392532 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392593 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392597 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392601 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104392605 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104393591 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104393596 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104393597 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104393600 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104393617 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104393621 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104393625 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104393628 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394606 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394610 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394613 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394617 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394621 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394625 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394629 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104394633 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104394639 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104394643 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104394647 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104394650 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104394656 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104394658 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104394663 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104394670 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104394680 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104394685 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104394689 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104394692 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394742 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394746 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394753 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104394757 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104394857 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104394862 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104394865 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104394868 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394874 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394882 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394886 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394892 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394895 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394898 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394903 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394907 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394909 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104394913 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104394921 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104394925 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104394930 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104394935 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104394940 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104394944 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104394950 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104394955 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104394961 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104394964 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104394967 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104394970 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000104394973 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000104394976 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000104394979 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000104394982 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395070 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395073 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395077 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395082 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104395086 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104395090 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104395093 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104395097 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395101 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395104 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395108 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395111 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395138 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395143 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395149 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104395154 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104395158 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104395163 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104395167 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104395170 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104395174 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104395177 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104395181 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104395185 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000104395192 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000104395199 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000104395202 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000104395206 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104396371 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104396374 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104396444 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104396446 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104396495 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104396497 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104396500 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104396505 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104396508 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104396511 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104396515 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104396518 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104396522 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104396525 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104396527 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104396529 KK Annotated Mild Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104396595 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104396599 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104396602 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104396605 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000104397298 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000104397302 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104397312 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104397316 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104397319 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104397322 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104397325 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104397328 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104397331 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104397334 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104397349 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104397351 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104397355 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104397358 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104397361 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104397365 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104397368 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104397372 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104397376 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104397379 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104397382 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104397385 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104397389 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000104397395 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000104397398 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000104397400 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000104397403 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104397450 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104397454 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104397519 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104397524 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104397543 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104397548 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104397550 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104397552 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104397554 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104397556 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104397559 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104397562 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104397576 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104397578 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104397580 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104397582 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000104397585 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000104397589 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000104397592 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000104397595 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000104397599 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000104397602 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000104397605 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000104397608 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000104397611 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000104397614 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000104397618 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000104397622 KK Annotated Mild COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104397676 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104397679 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000104397683 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000104397686 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000104397689 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000104397691 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104397694 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104397697 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104397700 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104397702 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104397720 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104397723 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104397725 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104397728 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104397732 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104397736 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104397739 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104397743 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000104397750 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000104397752 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000104397756 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000104397761 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397766 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397768 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397772 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000104397775 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104397779 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104397783 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104397787 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104397791 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104397812 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104397816 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104397821 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104397827 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104397843 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104397846 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104397849 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104397851 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104398736 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104398739 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398797 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398799 KK Annotated Mild Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104398802 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104398804 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398808 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398810 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398812 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398814 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104398816 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104398820 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104398822 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104398826 KK Annotated Mild Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104398829 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104398831 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399334 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399338 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399345 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399348 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399351 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399355 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399359 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104399363 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104399374 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104399377 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104399488 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104399491 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399494 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399498 KK Annotated Mild Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104399500 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104399503 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399507 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399509 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399512 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399515 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399519 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104399521 KK Annotated Mild Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104399525 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104399527 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104399530 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104399533 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104399535 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104399539 KK Annotated Mild Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104399543 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104399546 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104399551 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104399554 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399620 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399622 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104399626 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104399629 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399636 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399638 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399641 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399646 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399653 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399657 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104399662 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104399666 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399670 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399673 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399675 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104399680 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104400322 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104400328 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104400334 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104400341 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104400349 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104400351 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104400371 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104400376 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104400418 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104400421 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104400428 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104400432 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104400437 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104400440 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104400479 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104400483 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104400491 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104400494 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104400500 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104400503 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104400505 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104400509 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104400512 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104400514 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104400517 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104400519 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104400523 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104400526 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104400546 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104400550 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104400555 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104400557 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104400560 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104400565 KK Annotated Mild Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104400594 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104400599 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)c2ccc(C)cc2)CC(C)(C)O3)cc1OC ZINC000104400602 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccc(C)cc2)CC(C)(C)O3)cc1OC ZINC000104400604 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000104401035 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000104401040 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104401054 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104401057 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104401062 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104401068 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104401076 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104401082 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104401087 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104401090 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104401094 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104401098 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104401122 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104401126 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104401141 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104401143 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104401145 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104401147 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104401149 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104401151 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104401168 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104401170 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104401191 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104401194 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104401201 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000104401203 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104401231 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104401235 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104401246 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104401250 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104401253 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104401256 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104401259 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104401261 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104401264 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104401269 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104401273 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104401275 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104401281 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104401283 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104401287 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104401288 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104401290 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104401292 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104401361 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104401364 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104401368 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104401372 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104401377 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104401382 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104401386 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104401390 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104401395 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104401399 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104401403 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104401405 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104401757 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104401759 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104401761 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104401763 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104401764 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104401766 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104401768 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104401770 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104401772 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104401806 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104401811 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104401815 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104401820 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104401822 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104401825 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104401828 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104401831 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104401834 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC(C)(C)O3)CC1 ZINC000104401851 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC(C)(C)O3)CC1 ZINC000104401853 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104401858 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104401860 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104401863 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104401866 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104401869 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104401872 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104401875 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104401878 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104401879 KK Annotated Mild Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104401883 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104401885 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104401888 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104401891 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104401896 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104401899 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104402325 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104402329 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104402351 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402355 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402358 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104402365 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402368 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402370 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402372 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402374 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402377 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104402380 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104402383 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104402387 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104402390 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104402393 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104402398 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104402401 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104402417 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104402419 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104402422 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104402425 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104402430 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104402435 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104402440 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104402442 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)CC(C)(C)O3)CC1 ZINC000104402458 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)CC(C)(C)O3)CC1 ZINC000104402460 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104402465 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104402468 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104402473 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104402475 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104402478 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104402481 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104402487 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104402491 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104402505 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104402509 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104402516 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104402519 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104402522 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104402525 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104402527 KK Annotated Mild Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104402529 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104402532 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104402535 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104402538 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104402541 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104402542 KK Annotated Mild Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104402545 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104402548 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104402560 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104402562 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104402565 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104402567 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104402571 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104402572 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104402576 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104402581 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402621 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402625 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104402628 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104402632 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402635 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402637 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402639 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402642 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402645 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104402649 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104402653 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104402655 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104402669 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104402671 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104402673 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104402675 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104402677 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104402679 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104402681 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104402683 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104402685 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104402688 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104402690 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104402692 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104402708 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104402710 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104402712 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104402714 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104402726 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104402728 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104402731 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104402733 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104403098 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104403102 KK Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104403128 KK Annotated Mild CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403150 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403152 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403186 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403189 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC(C)(C)O3)cc1OC ZINC000104403194 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC(C)(C)O3)cc1OC ZINC000104403197 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403199 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403202 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104403205 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104403210 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104403215 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104403218 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104403231 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000104403236 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000104403249 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000104403251 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000104403257 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000104403262 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403278 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403281 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104403288 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104403291 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104403295 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104403298 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104403305 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104403309 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104403312 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104403313 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104403316 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104403317 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104403319 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104403323 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104403326 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104403328 KK Annotated Mild Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104403332 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104403336 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104403340 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104403342 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104403367 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104403370 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403767 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403770 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000104403789 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000104403793 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000104403796 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000104403798 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104403810 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104403811 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104403816 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104403819 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104403821 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104403824 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104403828 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104403831 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104403835 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104403838 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104403840 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104403843 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104403847 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104403850 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104403854 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104403859 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403864 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403867 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403896 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403900 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403914 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104403918 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403957 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000104403960 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104403986 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104403990 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104403994 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104403998 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104404003 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104404008 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104404015 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104404018 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104404024 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104404028 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104404033 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104404035 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104404040 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104404045 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104404052 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104404057 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104404075 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104404078 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104404080 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104404083 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104404107 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104404112 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104404119 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000104404121 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104404125 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000104404128 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104404132 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000104404135 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104404140 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000104404143 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104404149 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104404152 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104404156 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104404159 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104404166 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104404170 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104404174 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104404178 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104404182 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104404186 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104404190 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104404194 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404703 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404707 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404713 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404716 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404719 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404721 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404725 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104404729 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104404733 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104404737 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104404742 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104404746 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104404748 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104404751 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104404775 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104404779 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104404791 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104404795 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104404819 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104404823 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104404826 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104404829 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104404832 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104404834 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104404852 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104404855 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404859 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404862 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104404866 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104404868 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404871 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404874 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404876 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404880 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404883 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104404889 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104404893 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104404897 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104404901 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104404903 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104404905 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104404908 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404924 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404928 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404935 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404939 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404944 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404948 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404950 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000104404954 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000104404962 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000104404966 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405439 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405442 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405448 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405452 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405455 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405457 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405463 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000104405465 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405517 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405523 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104405528 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104405532 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405537 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405541 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405545 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405549 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405555 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104405559 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104405562 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104405566 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104405570 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104405575 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104405577 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104405581 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405589 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405592 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405600 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405603 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405607 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405610 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405614 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104405619 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104405622 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104405627 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104405631 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104405635 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104405638 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104405641 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405663 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405668 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405685 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104405688 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104405705 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104405708 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104405711 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104405716 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104405738 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104405740 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405748 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405752 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104405758 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104405762 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405767 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405772 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405775 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405779 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405783 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104405787 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405794 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405800 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104405803 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104405807 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405812 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405815 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405819 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405824 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405829 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104405835 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104405840 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104405845 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104405849 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104405851 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104405855 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104405858 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104405877 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104405881 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104405885 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104405889 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104405912 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104405916 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104405919 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104405923 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCCc2ccc(OC)c(OC)c2)CC(C)(C)O3)cc1OC ZINC000104406314 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCCc2ccc(OC)c(OC)c2)CC(C)(C)O3)cc1OC ZINC000104406317 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104406346 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104406350 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104406355 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104406359 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104406397 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104406401 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104406406 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104406408 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000104406440 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000104406442 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(C)=O)CC(C)(C)O3)cc1OC ZINC000104406448 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(C)=O)CC(C)(C)O3)cc1OC ZINC000104406453 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406456 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406460 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104406465 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104406468 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104406470 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104406473 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104406482 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104406485 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104406490 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104406493 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406519 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406520 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104406525 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104406528 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104406531 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104406534 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104406541 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104406545 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104406550 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104406556 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000104406562 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000104406565 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000104406570 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000104406574 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406578 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406581 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104406586 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104406590 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104406594 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104406598 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104406603 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104406607 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104406612 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104406617 KK Annotated Mild COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406623 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104406627 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407202 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407207 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104407222 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104407224 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104407228 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104407233 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000104407237 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000104407242 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000104407244 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000104407251 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407269 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407273 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104407279 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104407285 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104407291 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104407296 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104407300 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104407305 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407310 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407314 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104407335 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104407340 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104407346 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104407350 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104407356 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104407360 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407397 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104407403 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104407435 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000104407439 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104407445 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000104407450 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104407479 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104407485 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104407490 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104407494 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104407498 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104407503 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104407508 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104407513 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104407518 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104407522 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104407528 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104407533 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104407537 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104407543 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104407549 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104407554 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104407901 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104407905 KK Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104407949 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104407955 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408012 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408015 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408019 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408023 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408046 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408049 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408058 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408064 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408069 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104408073 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408114 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408119 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104408143 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104408147 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104408152 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104408157 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104408164 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104408171 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104408174 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000104408179 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104408193 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104408197 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104408201 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104408206 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104408215 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104408220 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104408223 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104408228 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104408236 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104408240 KK Annotated Mild Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104408247 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104408254 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104408259 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104408263 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104408269 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104408274 KK Annotated Mild Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104408281 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104408285 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408882 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408885 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104408892 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104408896 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104408913 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104408916 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408922 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408925 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408937 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408940 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408943 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408946 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408949 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104408950 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104408956 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104408958 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104408962 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104408965 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104408968 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104408971 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104408977 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104408980 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408984 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104408987 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104408993 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104408997 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104408999 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409001 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409005 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409007 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104409011 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000104409013 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409016 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409019 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409022 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104409025 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104409029 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104409031 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104409035 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000104409038 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104409053 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000104409056 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104409075 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104409079 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104409085 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104409088 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104409093 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104409098 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104409103 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000104409105 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104409117 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104409121 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409123 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409126 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409136 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409138 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409143 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409144 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409149 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104409151 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409156 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409160 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104409164 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104409167 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409170 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409174 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409177 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409180 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409183 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104409186 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104409190 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104409195 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104409200 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104409205 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104409208 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104409210 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104409227 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104409230 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104409241 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104409244 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104409247 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104409250 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104409254 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104409258 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104409261 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104409266 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104409651 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104409654 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104409657 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000104409659 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104409748 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104409752 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104409757 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104409761 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104409764 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104409770 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000104409774 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104409779 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104409782 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104409787 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104409790 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104409794 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104409798 KK Annotated Mild COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104410326 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104410363 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104410365 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104410396 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000104410400 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104410441 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104410446 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104410450 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104410454 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104410462 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000104410466 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104410536 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000104410539 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104410573 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104410579 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104410588 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104410592 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104410599 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104410603 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104410607 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104410612 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000104410618 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104410623 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104410630 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104410637 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104410641 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104410646 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104410650 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104410687 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104410692 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104410697 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000104410703 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104410754 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104410759 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410766 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410772 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410790 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410796 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410800 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410803 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410809 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000104410814 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104410870 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104410874 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104410878 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC(C)(C)O2 ZINC000104410883 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104410889 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104410894 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104410899 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104410905 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104411698 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104411703 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104411713 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104411717 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104411757 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104411762 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104411769 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104411775 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104411808 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104411812 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104411852 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104411857 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104411887 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104411892 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104411897 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104411902 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104411971 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104411974 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104411980 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104411984 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104411988 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104411991 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104411995 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104411999 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104412005 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104412009 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104412015 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104412019 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104412025 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104412029 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104412033 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104412037 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104412041 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104412045 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104412059 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104412064 KK Annotated Mild COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104412070 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104412121 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104412126 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000104412133 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000104412136 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104412961 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104412966 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104412976 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104412982 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104412987 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104412990 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413020 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413025 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104413031 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104413036 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413040 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413043 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413047 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413051 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413056 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413060 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104413066 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104413072 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413076 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413080 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413083 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413087 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413100 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104413105 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413120 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413126 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413135 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413138 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413142 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413146 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413154 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104413160 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104413169 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104413174 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104413179 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104413184 KK Annotated Mild Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104413192 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104413196 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104413203 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104413208 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104413213 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104413218 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104413226 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104413231 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104413238 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104413242 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104413245 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104413249 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414054 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414059 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414067 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414073 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414077 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414079 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414085 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414087 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414096 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414100 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414106 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104414110 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104414136 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104414139 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104414162 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104414165 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104414171 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104414174 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104414179 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104414183 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414217 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414222 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414225 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414230 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414235 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414240 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414250 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414257 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414264 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104414269 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414304 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414308 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104414314 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104414319 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414325 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414331 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414335 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414340 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414345 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414350 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104414357 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104414360 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414364 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414367 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414371 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104414375 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104414396 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104414399 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414404 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414407 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104414412 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104414416 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414421 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414424 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414428 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414431 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414435 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104414439 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104414443 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104414450 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104414455 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104414461 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104414463 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000104414469 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104414475 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104414479 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104414501 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104414505 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104414509 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104414514 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104414533 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104414536 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104414541 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104414545 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414583 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414587 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414592 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414596 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104414600 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104414602 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414609 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414612 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414617 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414620 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414626 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414630 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104414636 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104414641 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414647 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414653 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414659 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104414664 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104414668 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104414673 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104414678 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104414684 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104414690 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104414694 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104414700 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104414703 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104414731 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104414735 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000104414739 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000104414743 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104414749 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104414755 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104414760 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104414765 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104414768 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104414771 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104414774 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104414779 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104414784 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104414787 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104414790 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104414795 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104415326 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104415330 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000104415368 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000104415374 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104415379 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104415384 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104415388 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104415392 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104415397 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104415403 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104415408 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104415412 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104415418 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104415423 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104415428 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104415433 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104415439 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104415445 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104415451 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104415457 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104415462 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104415466 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104415472 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104415478 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415483 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415488 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415494 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415499 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415501 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415506 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415520 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415523 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415527 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104415530 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104415546 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104415551 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415558 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415565 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415570 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415575 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415579 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415583 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415587 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415591 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415604 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415606 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415611 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104415614 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104415636 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104415639 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104415642 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104415646 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104415649 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104415651 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104415654 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000104415658 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104415663 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104415666 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104415670 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104415672 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104415676 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104415679 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104415682 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104415688 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104415691 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104415694 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104415700 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104415704 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104415709 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104415711 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104415715 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104415718 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104415721 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104415723 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104415735 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104415739 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104415746 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104415750 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104415770 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104415774 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104415777 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104415780 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104415784 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104415787 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104415791 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104415795 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104415798 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104415802 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104415806 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104415809 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104415812 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104415815 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104416323 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104416327 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416331 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416334 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416337 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416340 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104416371 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104416375 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104416381 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104416385 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104416389 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104416394 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104416398 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104416401 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104416407 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104416411 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416416 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416419 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416423 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416427 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104416433 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104416438 KK Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104416468 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104416472 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104416477 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104416480 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104416484 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104416488 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104416492 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104416495 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104416498 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104416501 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416507 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104416510 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416514 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104416518 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104416570 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104416574 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104416588 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104416591 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417158 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417165 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417171 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417175 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417178 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417183 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417186 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417189 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417193 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104417197 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417201 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417205 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417209 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417213 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417217 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417221 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417224 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417226 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104417236 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104417239 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417250 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417253 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417256 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417258 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417261 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417263 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417268 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417272 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104417283 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104417286 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417353 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417358 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417362 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417366 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417370 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417374 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417378 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417382 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417387 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417391 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417395 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104417399 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417403 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417407 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417411 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417414 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417418 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417422 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417427 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417431 KK Annotated Mild COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417447 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417451 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417487 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417491 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417495 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417497 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417524 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104417527 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417533 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417535 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417538 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417542 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417546 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417549 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417553 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417556 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417561 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104417564 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417568 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104417574 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417580 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417584 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104417586 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104417590 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417596 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417599 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000104417602 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000104417606 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104417622 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104417625 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104417627 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104417631 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417635 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417640 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417645 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104417649 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417723 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417727 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417728 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104417732 KK Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418469 KK Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418473 KK Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418478 KK Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418480 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104418522 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104418527 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104418532 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104418537 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104418539 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104418543 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104418548 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104418552 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104418558 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104418561 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104418564 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104418567 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104418584 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104418588 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418600 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418605 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418608 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418611 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104418614 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104418617 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104418620 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104418623 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104418626 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104418628 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104418633 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104418638 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104418643 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104418647 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104418652 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104418655 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418695 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418701 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418705 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418708 KK Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104418713 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104418716 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104418721 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104418724 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104418728 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104418732 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104418737 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104418740 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104418744 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104418748 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104418752 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104418757 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418764 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418770 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418774 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418778 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104418784 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104418789 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104418793 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104418798 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418803 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418807 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418812 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418815 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418836 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104418840 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418844 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104418848 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104418852 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104418855 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418873 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104418880 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418892 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104418897 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419480 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419485 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104419491 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104419495 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419500 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419506 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104419512 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104419516 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419523 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419528 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419533 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419539 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419544 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419550 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419559 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419564 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419570 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419575 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419581 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419587 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419594 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419601 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419605 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419610 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419615 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419620 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419628 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419634 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419639 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419645 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419650 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419655 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419660 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419665 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419671 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419676 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419681 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419686 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419694 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419698 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419708 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419710 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419717 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419721 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419749 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419754 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104419760 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104419766 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419771 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419776 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419781 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419786 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419791 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419797 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419803 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419810 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419817 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419822 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419829 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419834 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419890 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104419896 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104419902 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104419907 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419913 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104419917 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419922 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104419929 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419933 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104419938 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419944 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104419948 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419954 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104419958 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419963 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104419969 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419973 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104419978 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419983 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104419987 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104419995 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104420001 KK Annotated Mild COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420007 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420012 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420017 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420022 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104420025 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104420029 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420034 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420038 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420044 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420047 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420053 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420057 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104420097 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104420102 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104420110 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104420115 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420120 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420125 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420131 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104420136 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104420140 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104420144 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420150 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420156 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420162 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420166 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420173 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420176 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104420182 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104420187 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104420193 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104420196 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420201 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420205 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420210 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104420216 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420244 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420251 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420257 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104420259 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420266 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420270 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420275 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104420280 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420285 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420290 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420295 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104420299 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421188 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421193 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421199 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421203 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421206 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421209 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421213 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421217 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421220 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421224 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421228 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421234 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421239 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421242 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421245 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421249 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421251 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421254 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421288 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421292 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421296 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421300 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421308 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421311 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421315 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104421319 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421325 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421329 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421335 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421339 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421362 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421365 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421370 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421375 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421378 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421381 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104421385 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421407 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421410 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421413 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104421416 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421424 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421428 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421432 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421437 KK Annotated Mild Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104421441 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104421444 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104421448 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104421452 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421454 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421457 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421460 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421464 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421468 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421472 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421475 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104421478 KK Annotated Mild Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104421484 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104421489 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104421494 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104421500 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104421507 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104421511 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104421513 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104421517 KK Annotated Mild Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104421521 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104421523 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104421526 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104421530 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104421535 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104421540 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104421542 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104421547 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104421552 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104421556 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104421560 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104421565 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104421584 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104421587 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104421591 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104421594 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104421598 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104421608 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104421612 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104421615 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104421619 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104421624 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104421627 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104421630 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104421635 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104421646 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104421652 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104421656 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104421661 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422721 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422726 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422730 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422734 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422739 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422744 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422749 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104422751 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104422759 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104422763 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104422766 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104422768 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422778 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422781 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422783 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422787 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422814 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422819 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422823 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422830 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422836 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422841 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422845 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104422850 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104422859 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104422863 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104422867 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104422872 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104422874 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104422878 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104422880 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104422883 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104422900 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104422903 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104422907 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000104422911 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104422928 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104422933 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104422939 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104422943 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422948 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422954 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422958 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422964 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422969 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422974 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422979 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422988 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422992 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104422997 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104423002 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104423006 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104423008 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104423013 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423023 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423025 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423030 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000104423034 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423072 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423077 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423083 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423090 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423118 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423124 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423129 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104423134 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104423166 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104423169 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104423173 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104423177 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423183 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423188 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423194 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423199 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104423206 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104423213 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104423220 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104423227 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423234 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423240 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423245 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423250 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423258 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423262 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423268 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104423272 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104423278 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104423283 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104423288 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000104423294 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104423299 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104423303 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104423309 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000104423314 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104423318 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104423321 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104423325 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000104423330 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104423335 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104423339 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104423344 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000104423349 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423362 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423367 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423373 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423377 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104423386 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104423391 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104423397 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104423400 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423428 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423434 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423438 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104423443 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104423454 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104423459 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104423463 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104423468 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423555 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423560 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423566 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423571 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104423576 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104423582 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104423587 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104423592 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423598 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423601 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423605 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423610 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104423634 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104423638 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104423644 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104423651 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423655 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423662 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423667 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104423675 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104423699 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104423704 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104423709 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104423716 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104423725 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104423730 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104423738 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104423742 KK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425050 KK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425056 KK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425060 KK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425064 KK Annotated Anodyne C/N=C(\S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425147 KK Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425152 KK Annotated Mild C/N=C(\S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425156 KK Annotated Mild C/N=C(\S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104425162 KK Annotated Mild O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425231 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425235 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425241 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425244 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425248 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425255 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425260 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425266 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425271 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425276 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425280 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425290 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425295 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425299 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425303 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425307 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425312 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425316 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425322 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425327 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425330 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425333 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104425355 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104425360 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425379 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425383 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425389 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425396 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425402 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425407 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425412 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425417 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425423 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425427 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425432 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425436 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425443 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425448 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425452 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425457 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425466 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425470 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425474 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425478 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425483 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425490 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425495 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104425500 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104425550 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104425556 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104425565 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104425568 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104425572 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104425577 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104425583 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104425588 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104425592 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104425597 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104425602 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104425606 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104425610 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104425614 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104425619 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104425622 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104425625 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104425628 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104425633 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104425636 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104425641 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104425645 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104425649 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104425652 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104425655 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104425658 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104425662 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104425665 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104425669 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104425672 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104425680 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104425685 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104425688 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104425692 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104425696 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104425699 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104425703 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104425707 KK Annotated Mild Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104425711 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104425715 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104425718 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104425721 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104425726 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104425729 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104425733 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104425736 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104425751 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104425759 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104425764 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104425770 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104425773 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104425775 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104425781 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104425805 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104425810 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104425816 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104425821 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104426997 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427001 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427006 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427011 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427018 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427026 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427029 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427035 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427038 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427042 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427047 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427051 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427056 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427060 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427063 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427070 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427076 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427081 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427085 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427089 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427095 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104427099 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000104427125 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000104427129 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000104427133 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000104427138 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000104427143 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000104427148 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104427154 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104427157 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104427162 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104427168 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427171 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427176 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427179 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427183 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427187 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427191 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427196 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427199 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427206 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427212 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427218 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427220 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427227 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427232 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427237 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427243 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427250 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427252 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427256 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427260 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427265 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427269 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427274 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104427277 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104427283 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104427289 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104427295 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000104427299 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427305 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427310 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427314 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427319 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427322 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427330 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427334 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427341 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427346 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427348 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427354 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427360 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427364 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427371 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427375 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427382 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427387 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427391 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427394 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427399 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427405 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104427410 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104427454 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104427458 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427486 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427490 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427495 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427500 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427505 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427512 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427517 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427523 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427529 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427537 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427542 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427552 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427557 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427562 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427566 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427585 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427590 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427595 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104427600 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104427629 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000104427637 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000104427641 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000104427645 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000104427650 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000104427653 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104427659 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104427662 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104427665 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000104427670 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104427674 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104427678 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104427681 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000104427685 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104427689 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104427693 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104427697 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000104427701 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104427705 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104427710 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104427715 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000104427720 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104427726 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104427732 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104427735 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000104427741 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104427748 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104427753 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104427756 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000104427761 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427767 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427772 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427779 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104427783 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427788 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427791 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427795 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104427800 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427805 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427810 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427813 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104427819 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427822 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427826 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427831 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104427836 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427840 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427844 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427849 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104427854 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104427898 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104427904 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104427910 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000104427915 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104427921 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000104427926 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427933 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427939 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427943 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427948 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427954 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427958 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427962 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104427966 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104427990 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104427996 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104427998 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104428004 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104428033 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104428038 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104428042 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104428049 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429236 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429242 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429268 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429274 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104429279 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104429285 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429291 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429296 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429302 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429307 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429315 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429319 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429334 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429339 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104429356 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104429363 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104429403 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104429408 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429418 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429424 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429431 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104429434 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104429469 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104429474 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429480 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429483 KK Annotated Mild Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104429490 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104429494 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429502 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429507 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429514 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429518 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429522 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104429527 KK Annotated Mild Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104429533 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104429537 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104429542 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104429547 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104429553 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104429559 KK Annotated Mild Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104429564 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104429570 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104429576 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104429580 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104429587 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104429591 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104429603 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104429608 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104429624 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000104429627 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104429643 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104429647 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104430296 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104430302 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104430311 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104430315 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104430330 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104430336 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430374 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430378 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104430383 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104430388 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430394 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430399 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430405 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430409 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430413 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104430418 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104430423 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104430428 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104430433 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104430440 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104430444 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104430450 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430474 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430479 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430484 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430489 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430496 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430499 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104430506 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104430513 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430521 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430527 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430534 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104430540 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430582 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430588 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430682 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104430688 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104430707 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104430715 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430721 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430725 KK Annotated Mild Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104430731 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104430737 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430742 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430749 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430752 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430759 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430766 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104430772 KK Annotated Mild COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104430793 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104430799 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104430899 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104430905 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104430912 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104430917 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104430941 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104430948 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104430951 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104430955 KK Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104431685 KK Annotated Anodyne CNC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104431689 KK Annotated Anodyne C/N=C(\S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104431769 KK Annotated Mild C/N=C(\S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104431772 KK Annotated Mild CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104431827 KK Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104431833 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431862 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431868 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431874 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431878 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431886 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431891 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431899 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431906 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431915 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431920 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431977 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431981 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431988 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104431991 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432015 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432020 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432027 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432033 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104432062 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104432070 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104432075 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104432081 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104432085 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104432089 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104432094 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104432099 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104432106 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104432109 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104432113 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104432117 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104432124 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104432129 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104432134 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104432140 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104432147 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104432151 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104432165 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104432172 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104432179 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104432184 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104432190 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104432195 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104432201 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104432207 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104432212 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104432217 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104432225 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000104432230 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432887 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432893 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432898 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432904 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432907 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104432912 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104432946 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104432952 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104432958 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104432963 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104432966 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104432972 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104432977 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104432982 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104432996 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433001 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433004 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433008 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433012 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433016 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433021 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433024 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433027 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433030 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433035 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433039 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433043 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433046 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433054 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433058 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433062 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433067 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433069 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433074 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433081 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433086 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433091 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433097 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433102 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104433106 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104433145 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104433151 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104433157 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104433163 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104433169 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104433175 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104433181 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104433187 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104433192 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104433199 KK Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104433574 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104433579 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104433589 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104433594 KK Annotated Mild CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433653 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433656 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433663 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433667 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104433673 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104433677 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433685 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433689 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433694 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433698 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433705 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433710 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104433714 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104433719 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433725 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433732 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433737 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433742 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433764 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433770 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433775 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433780 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433789 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433793 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104433802 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104433806 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433813 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433816 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433821 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433828 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433835 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433841 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104433848 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104433853 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433860 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433865 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433868 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433871 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433882 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104433885 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104433890 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104433894 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433899 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433904 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433912 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433916 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433921 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433923 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433928 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104433933 KK Annotated Mild Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104433938 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104433940 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104433948 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104433951 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104433956 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104433960 KK Annotated Mild Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104433967 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000104433972 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104433976 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000104433980 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104433990 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104433996 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104434003 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104434009 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104434016 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104434021 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104434028 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104434036 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104434080 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000104434086 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434867 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434872 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104434880 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104434883 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434890 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434896 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434900 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434903 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434908 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434912 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104434918 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104434925 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434930 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434934 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434936 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104434942 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104434970 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000104434975 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104434984 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104434987 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104434995 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435002 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104435010 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104435017 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435023 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435029 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435033 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435037 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435042 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104435049 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104435057 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104435062 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104435068 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104435073 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104435078 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104435082 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435087 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435092 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435098 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435104 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104435110 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104435115 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435123 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435129 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435134 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435139 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435146 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435150 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104435155 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104435160 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435166 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435172 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435176 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104435182 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435213 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435219 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435226 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435231 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104435238 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104435244 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435250 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435253 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435260 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435265 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435272 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435277 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104435284 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104435288 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435294 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435298 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435300 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435303 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435308 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435312 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435317 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104435322 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104435327 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104435330 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435334 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435340 KK Annotated Mild Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104435346 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000104435351 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435357 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435361 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435365 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435368 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435374 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104435380 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104435386 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104435391 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435399 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435403 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104435410 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104435414 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435421 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435426 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435429 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435433 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435439 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104435443 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104435447 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000104435451 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104435456 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104435462 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104435465 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104435472 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104435497 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104435502 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104435511 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104435517 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104435523 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104435528 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104435532 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104435536 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104435542 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104435545 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104435549 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104435552 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCCc2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104436072 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCCc2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000104436079 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104436127 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104436131 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104436141 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104436146 KK Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104436162 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104436167 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104436172 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104436178 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104436185 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104436191 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104436211 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000104436215 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104436221 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104436225 KK Annotated Mild CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104436234 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104436237 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104436281 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104436287 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436305 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436311 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436319 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436323 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436326 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436331 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436336 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436339 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436348 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436352 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436361 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436369 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436375 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436379 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436385 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436390 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436408 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436414 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436421 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436427 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436432 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436436 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436445 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436450 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436458 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436462 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436468 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436473 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436478 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436482 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436487 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104436492 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104436497 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104436502 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104436507 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104436513 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104436518 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104436524 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104436531 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104436536 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104436544 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104436548 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104436555 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104436562 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104436568 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104436573 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104436579 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104436584 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104436590 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104436594 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104436599 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104436604 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104436614 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104436618 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104436621 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104436625 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104436631 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104436635 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104436639 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104436643 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437305 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437310 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437315 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437320 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437324 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437329 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437334 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437339 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437346 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437350 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437355 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437358 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437361 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437366 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437372 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104437377 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104437391 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104437395 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104437401 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104437405 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104437410 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104437414 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104437420 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104437423 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437427 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437432 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437437 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437442 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437446 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437450 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437456 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437459 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437464 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437468 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437473 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437478 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437483 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437487 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437493 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104437495 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437510 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437514 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437520 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437526 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437532 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437535 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437538 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437542 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437548 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437553 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437558 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437561 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437566 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437570 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437574 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104437577 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104437590 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104437595 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104437599 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104437606 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104437612 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104437615 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104437621 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104437624 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104437632 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000104437636 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104437642 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000104437647 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104437651 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000104437654 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104437658 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000104437662 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104437920 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000104437925 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104437969 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104437975 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000104437993 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000104437998 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000104438004 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000104438009 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000104438013 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000104438017 KK Annotated Mild CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104438024 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104438027 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104438039 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104438044 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000104438086 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000104438089 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438106 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438109 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438114 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438118 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438122 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438127 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438132 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438136 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438141 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438144 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438149 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438151 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438156 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438161 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438165 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438169 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438174 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438178 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438184 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438190 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438195 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438198 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438203 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438206 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438212 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438215 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438220 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438225 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438233 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438238 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438246 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438250 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438255 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438259 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438265 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438271 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438275 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438277 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438284 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104438289 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438296 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438301 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438306 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438311 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438317 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438321 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438326 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438329 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438333 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104438337 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438342 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438346 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438351 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438356 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438360 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438362 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438835 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438839 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438844 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438846 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438849 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438852 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438855 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438859 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438862 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438865 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438870 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104438874 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438878 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438880 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438884 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438887 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438890 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438895 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438900 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104438904 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104438909 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104438911 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438924 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438926 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438932 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438935 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438940 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438943 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438946 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438950 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438953 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104438956 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438961 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104438966 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438968 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438973 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104438977 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104438979 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104438986 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104438990 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438994 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000104438996 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104439003 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104439009 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104439014 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104439016 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104439020 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104439022 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104439026 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000104439031 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104439036 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104439040 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000104439043 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000104439047 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104439052 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000104439057 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104439063 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104439067 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439072 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439074 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104439077 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104439082 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439087 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439092 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439095 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439099 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439104 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104439108 KK Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000104439343 KK Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000104439349 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCCc2ccc(OC)c(OC)c2)CC2(CCCCC2)O3)cc1OC ZINC000104439359 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCCc2ccc(OC)c(OC)c2)CC2(CCCCC2)O3)cc1OC ZINC000104439365 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104439369 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104439374 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104439392 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104439396 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104439427 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104439432 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104439439 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104439443 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104439446 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104439449 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104439461 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104439466 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104439470 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104439477 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104439482 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104439486 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104439522 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104439527 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104439533 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104439536 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000104439570 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000104439576 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000104439581 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000104439586 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(C)=O)CC2(CCCCC2)O3)cc1OC ZINC000104439593 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(C)=O)CC2(CCCCC2)O3)cc1OC ZINC000104439597 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104439603 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104439608 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104439613 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104439618 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104439622 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104439626 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104439631 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104439637 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104439642 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104439647 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104439651 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104439657 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104440018 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104440026 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104440032 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104440037 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104440043 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104440049 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104440053 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000104440059 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104440065 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104440069 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104440074 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104440078 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104440084 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104440088 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104440095 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000104440100 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104440107 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000104440113 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104440119 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000104440125 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104440247 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104440252 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104440267 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104440270 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104440280 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104440284 KK Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104440296 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104440301 KK Annotated Mild CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104440311 KK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000104440316 KK Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104440328 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104440332 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104440335 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104440341 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104440343 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000104440350 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000104440355 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104440362 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000104440366 KK Annotated Mild CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440403 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440407 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440411 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440414 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104440420 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104440424 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440445 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440448 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104440453 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104440457 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440462 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440468 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440473 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440477 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440483 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440488 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440494 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440498 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104440501 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104440504 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440513 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440515 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440519 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440524 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440529 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104440535 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104440539 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104440544 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440548 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440553 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440568 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440573 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440577 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440581 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440589 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104440593 KK Annotated Mild Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104440614 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104440618 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104440658 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104440662 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441161 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441166 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104441171 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104441176 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441182 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441184 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441187 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441191 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441196 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441199 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104441204 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104441207 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441211 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441215 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441219 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104441223 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104441227 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104441232 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104441241 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104441245 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441249 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441253 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441258 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441262 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104441269 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104441273 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441278 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441282 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441285 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441287 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441291 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441295 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104441300 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104441304 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441307 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441312 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441316 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441319 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441323 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441327 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441332 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441335 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104441341 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000104441345 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441368 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441371 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104441374 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000104441379 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441385 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441389 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441392 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104441395 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104441401 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000104441405 KK Annotated Mild COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104441410 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104441413 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441416 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441421 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104441425 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104441429 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441434 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441439 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441444 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441448 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441454 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104441458 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104441761 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104441767 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104441785 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104441790 KK Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104441822 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104441825 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104441828 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104441832 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104441846 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104441848 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104441854 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104441860 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104441865 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000104441869 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104441875 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000104441879 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104441886 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000104441890 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104441897 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104441899 KK Annotated Mild CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104441945 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104441950 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441975 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441981 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441985 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104441990 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104442602 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104442608 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442614 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442618 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104442622 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104442626 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442651 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442655 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104442661 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104442666 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442672 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104442675 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442679 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104442685 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104442716 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104442719 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442724 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442727 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104442733 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104442737 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442760 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000104442766 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104442771 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104442776 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442781 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104442784 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442787 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104442791 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104442821 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104442825 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442830 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442835 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104442841 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104442846 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442850 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442856 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442860 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442864 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442870 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000104442875 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104442881 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104442885 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442892 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442896 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104442900 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104442904 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442933 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442937 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442948 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442952 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442955 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442958 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442962 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000104442966 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104442973 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443646 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443652 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104443657 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104443660 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443665 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443671 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443677 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443683 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443692 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000104443696 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443701 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443707 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443712 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443715 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443719 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443723 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104443754 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104443758 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104443765 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104443770 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104443804 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000104443810 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443815 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443819 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443823 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443827 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443833 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443837 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104443842 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104443846 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443850 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443851 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104443858 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104443860 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443870 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443873 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443879 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443883 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443888 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000104443893 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443898 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443903 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443906 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443911 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443914 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443917 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104443942 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104443944 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443948 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443951 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104443955 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104443958 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443962 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443964 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443968 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443972 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443976 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000104443978 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443983 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104443987 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443990 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104443994 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104443997 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104444002 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104444030 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104444036 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444040 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444045 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104444049 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104444058 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444063 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444070 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444072 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444078 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444085 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000104444091 KK Annotated Mild COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104444095 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104444098 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444103 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444108 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104444112 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104444116 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444123 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444127 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444130 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444135 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444141 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Cc1cccc(OC)c1)CC1(CCCCC1)O2 ZINC000104444147 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104444152 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000104444155 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104444162 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104444166 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000104444170 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000104444176 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104444202 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000104444207 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104444211 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000104444216 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104444222 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000104444226 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104444231 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104444235 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104444238 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104444242 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104444245 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104444249 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104444253 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000104444257 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104444767 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104444772 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104444777 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104444782 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104444836 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104444840 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104444848 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000104444853 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104444890 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104444895 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000104444903 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000104444908 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104444914 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104444918 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104444923 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104444928 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104444933 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104444939 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104444945 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104444951 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104444956 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104444961 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104444965 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104444967 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104444970 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104444975 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104444980 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104444983 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104445002 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104445005 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104445010 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104445013 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104445018 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104445023 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104445028 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104445033 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104445041 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104445043 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104445049 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104445055 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104445061 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104445065 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104445071 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104445074 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104445082 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000104445086 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104445093 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104445098 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104445103 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104445107 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104445115 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000104445121 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104445130 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104445135 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104445142 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104445145 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104445151 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104445155 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104445160 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104445164 KK Annotated Mild COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104445171 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000104445176 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104445179 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000104445185 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104445191 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000104445195 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104445200 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000104445203 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104445209 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000104445213 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104445216 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000104445220 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104445233 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000104445237 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446182 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446186 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446216 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446221 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446288 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446293 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104446300 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104446306 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446332 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446336 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104446355 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104446359 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104446365 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104446371 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104446377 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104446382 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446388 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446395 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104446401 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104446404 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446411 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446417 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446423 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446426 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446437 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446440 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104446452 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104446455 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104446461 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104446465 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104446469 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104446476 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446485 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446488 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446498 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446507 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104446511 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447192 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447196 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447210 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447215 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104447221 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104447225 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104447228 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104447231 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447250 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447254 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104447257 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104447261 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447265 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447269 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447273 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447277 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447282 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447285 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104447290 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104447294 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104447299 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104447303 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447311 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447315 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447324 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447329 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447332 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447336 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447342 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447346 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104447350 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104447354 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104447359 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104447364 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104447367 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104447371 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104447469 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104447473 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447477 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104447480 KK Annotated Mild COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104447499 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104447503 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104447559 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104447564 KK Annotated Anodyne C/N=C(\S)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104448094 KK Annotated Mild C/N=C(\S)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104448099 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000104448147 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000104448152 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448163 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448166 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448174 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448179 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448184 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448189 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448195 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448199 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448204 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448207 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448212 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448216 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448241 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448245 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448249 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448254 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448260 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448266 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448271 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448277 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448283 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448287 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448292 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448297 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448301 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448305 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448314 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448320 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448334 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448340 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448345 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448348 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448351 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448354 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000104448376 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000104448379 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448849 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448853 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448862 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448867 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448871 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448875 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448881 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448886 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104448916 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104448919 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448923 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104448926 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448929 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104448932 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448936 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000104448941 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448946 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104448949 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448952 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104448955 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448959 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104448962 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104449002 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104449006 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104449012 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104449016 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104449021 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104449026 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104449050 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104449054 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104449058 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104449062 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104449065 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104449069 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449717 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104449719 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449725 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449730 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104449793 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000104449797 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449831 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104449836 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450522 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450525 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450528 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450531 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450572 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450575 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104450726 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104450729 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450733 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450737 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450741 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450745 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450749 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450752 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450755 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450757 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450762 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450764 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104450768 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000104450770 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104450774 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000104450778 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104450782 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000104450785 KK Annotated Mild COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104450863 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000104450867 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450872 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450875 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450878 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000104450881 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450884 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450887 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450891 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450894 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450898 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104450902 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451573 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451578 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451599 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451603 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451616 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451619 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451641 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451644 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451657 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451661 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451675 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451680 KK Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451712 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451715 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104451718 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104451725 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104451730 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104451735 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451740 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451744 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451751 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000104451755 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451760 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451764 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451784 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104451789 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451812 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104451817 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451832 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104451835 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104451868 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104451872 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452374 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452377 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452396 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452399 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104452408 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104452410 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104452428 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000104452431 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452435 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452439 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104452442 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104452445 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104452448 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104452451 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452454 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452456 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452458 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452461 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452475 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000104452477 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104452485 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000104452488 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452588 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452591 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104452596 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000104452601 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104452605 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000104452609 KK Annotated Mild COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452614 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000104452619 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104453419 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104453424 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104453428 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453435 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453437 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453442 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453447 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453451 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453455 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453460 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104453464 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453481 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453485 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453489 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453492 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453527 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453532 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453536 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000104453539 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453548 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453552 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453555 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104453559 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454545 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454547 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454550 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454554 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454558 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454561 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454565 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104454569 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454592 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454595 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454601 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454606 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104454622 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104454625 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000104454627 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000104454631 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454637 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454640 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454642 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454645 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104454848 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104454851 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104454854 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104454857 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454861 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454866 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454871 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454875 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104454879 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104454884 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104454888 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104454891 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454897 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454900 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454905 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454910 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454914 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454918 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454921 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104454923 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104455053 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104455059 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104455061 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104455065 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456054 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456056 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456060 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456062 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456078 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456083 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456089 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456094 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456119 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456123 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456126 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456129 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456163 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456165 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456169 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456171 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456192 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456197 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456202 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456207 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456227 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456233 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456238 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456242 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456265 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456269 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456274 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104456279 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104456284 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104456289 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104456291 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000104456294 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456300 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456305 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456308 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104456309 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456314 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456317 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456319 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456322 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456348 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456351 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456354 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104456358 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456363 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456365 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456369 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104456375 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457107 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457112 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457114 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457117 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457156 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457159 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457162 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457166 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104457170 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000104457173 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104457176 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000104457179 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104457183 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104457187 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104457191 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104457195 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457217 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457221 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457226 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104457230 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457235 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457238 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457241 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000104457243 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457245 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457248 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457250 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457254 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457346 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457349 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457354 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000104457358 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457381 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457385 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457388 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000104457391 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104457411 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104457414 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104457419 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000104457423 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104458010 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104458014 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104458019 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104458022 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104458674 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104458675 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104458693 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104458694 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104458717 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104458721 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104458979 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000104458983 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104458985 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000104458987 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/C)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459132 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/C)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459134 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459238 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459240 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459245 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459249 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459268 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459273 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459278 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459280 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459284 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459286 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459289 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459292 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104459297 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104459301 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459307 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459311 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459314 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459316 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459321 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459326 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459330 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459331 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459339 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459343 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104459349 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104459353 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459355 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459357 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459363 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459367 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459372 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459377 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459382 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459387 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459390 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459393 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459396 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459401 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459404 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459407 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459411 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459414 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459419 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459423 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459426 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459429 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459807 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459810 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459814 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459816 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459820 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459824 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459827 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459829 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459832 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459834 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459837 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459839 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459844 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459848 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459852 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459856 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104459861 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104459866 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459871 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459874 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459879 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459883 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459886 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459890 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459892 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459895 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459900 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000104459905 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459909 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000104459912 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459916 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459920 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000104459925 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000104459929 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459944 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000104459947 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104459996 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000104459999 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104460003 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000104460007 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104460022 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000104460026 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000104466726 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000104466734 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000104466738 KK Annotated Mild O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474296 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474300 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474305 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474310 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474316 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474323 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474329 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104474336 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104475974 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104475979 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104475984 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104475987 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104476110 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104476114 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104476118 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104476124 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104476162 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104476166 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104476171 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104476174 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104476246 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104476250 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104476258 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104476264 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104476345 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104476351 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104476357 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104476361 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104476366 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104476371 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104476374 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104476377 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104476384 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104476389 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104476394 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104476397 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476477 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476480 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476485 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476490 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476496 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476500 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476505 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104476512 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104476669 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104476676 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104476680 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104476684 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104476689 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104476694 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104476700 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104476705 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000104477973 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000104477980 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000104477986 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000104477989 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104478136 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104478141 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104478147 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104478152 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478262 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478265 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478270 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478276 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478282 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478288 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478292 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104478295 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478470 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478474 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478477 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478479 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478566 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478571 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478577 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104478582 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104478723 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104478730 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104478736 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104478743 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104478896 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104478902 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104478908 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104478915 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104481064 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104481071 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104481077 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104481082 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104481554 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104481559 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104481564 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104481569 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483649 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483654 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483662 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483667 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104483674 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104483679 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104483686 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104483695 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483770 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483773 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483779 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104483786 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104483872 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104483876 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104483878 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104483885 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104483910 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104483916 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104483924 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104483927 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104483934 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104483940 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104483944 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104483949 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104484119 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104484125 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104484131 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104484135 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104484141 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104484145 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104484150 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104484155 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104484336 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104484341 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104484346 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104484351 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104484429 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104484436 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104484443 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104484448 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486030 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486035 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486040 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486048 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104486058 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104486062 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104486069 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104486075 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104486117 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104486120 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104486126 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104486131 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486140 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486147 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486153 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104486159 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104486187 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104486194 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104486198 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104486204 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486283 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486288 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486294 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486299 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104486332 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104486339 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104486347 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104486353 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486363 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486371 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486380 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104486387 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104487397 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104487402 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104487405 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104487410 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104489588 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104489597 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104489604 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104489608 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104490249 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104490257 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104490264 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104490270 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104492326 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104492334 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104492339 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104492343 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104492435 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104492441 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104492445 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104492450 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104492456 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104492463 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104492469 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104492477 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104492484 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104492491 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104492494 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104492500 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104492663 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104492670 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104492677 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104492686 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104492829 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104492835 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104492841 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104492847 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104492882 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104492891 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104492897 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104492902 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104492967 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104492972 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104492976 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104492982 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1 ZINC000104493014 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1 ZINC000104493018 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104493070 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104493075 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104493081 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104493089 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104493191 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104493198 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104493205 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104493211 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104493240 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104493246 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104493253 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104493262 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104493292 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104493297 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104493302 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104493306 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104493343 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104493350 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104493355 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104493361 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104495084 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104495089 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104495096 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104495102 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104495134 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104495140 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104495288 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104495294 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104495300 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104495306 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104495530 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104495536 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104495541 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104495546 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104495682 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104495690 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104495697 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104495705 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104497996 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104498002 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104498009 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104498017 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104498067 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104498074 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104498079 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104498087 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104498101 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104498108 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104498113 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104498117 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000104498126 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000104498133 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000104498140 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000104498146 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104498153 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104498157 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104498164 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104498170 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498607 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498613 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498620 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498624 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498630 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498635 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498642 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498648 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498725 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498732 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498736 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104498740 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104500194 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000104500198 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104500204 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000104500210 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104500316 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104500322 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104500327 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104500332 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](CO)Cc3ccccc3)ccc2c1 ZINC000104500341 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](CO)Cc3ccccc3)ccc2c1 ZINC000104500347 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](CO)Cc3ccccc3)ccc2c1 ZINC000104500352 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](CO)Cc3ccccc3)ccc2c1 ZINC000104500357 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000104500387 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000104500391 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000104500397 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000104500403 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104500508 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104500514 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104500518 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104500522 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104500626 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104500630 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104500637 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104500645 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104500717 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104500721 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104500726 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104500732 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000104500794 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000104500801 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000104500805 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000104500809 KK Annotated Anodyne C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500818 KK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500824 KK Annotated Anodyne C[C@@H](CCc1ccccc1)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500828 KK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500833 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500839 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500843 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500847 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500851 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500858 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500863 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500867 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104500871 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104500898 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104500906 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104500911 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104500918 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104500934 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104500939 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104500945 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104500951 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104500964 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104500970 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104500976 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104500982 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104500995 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104501001 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104501006 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104501010 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104501022 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104501028 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104501032 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104501039 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501207 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501211 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501218 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501222 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501232 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501235 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501239 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104501246 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104501271 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104501276 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104501280 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104501283 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104501357 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104501362 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104501369 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000104501375 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000104501387 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000104501392 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000104501398 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000104501402 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104502995 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104502999 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104503004 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104503008 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503020 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503023 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503029 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503033 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503088 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503094 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503099 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104503102 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503208 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503210 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503218 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503223 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503295 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503299 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503305 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503310 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503316 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503321 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503325 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503331 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503336 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503342 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503348 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104503353 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000104503423 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000104503429 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000104503433 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000104503438 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000104503524 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000104503530 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000104503534 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000104503538 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104505381 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104505386 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104505389 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104505393 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104505398 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104505404 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104505409 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104505411 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104505423 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104505428 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104505433 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104505438 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104505834 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104505840 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104505845 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104505849 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104505868 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104505874 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104505882 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104505889 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104505901 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104505908 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104505916 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104505920 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104505927 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104505931 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104505936 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104505941 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104505950 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104505955 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104505962 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104505969 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506388 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506390 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506394 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506400 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506407 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506410 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506415 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104506420 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508009 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508015 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508019 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508024 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104508031 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104508038 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104508042 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104508048 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104508143 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104508146 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104508150 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104508153 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104508291 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104508295 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104508301 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104508305 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104508331 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104508335 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104508341 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104508347 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104508354 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104508358 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104508363 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104508369 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508436 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508442 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508446 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508450 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508456 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508464 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508468 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508474 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508480 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508484 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508487 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104508494 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104508529 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104508534 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104508541 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104508547 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104508564 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104508570 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104508573 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104508578 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104508601 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104508607 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104508613 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104508620 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104508630 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104508633 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104508640 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104508645 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104508653 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104508657 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104508663 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104508670 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104508708 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104508715 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104508718 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104508726 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508781 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508786 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508791 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508797 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508804 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508807 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508810 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104508815 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104508866 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104508871 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104508876 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104508881 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104508898 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104508903 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104508907 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104508910 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508914 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508921 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508927 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104508932 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104508940 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104508943 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104508946 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104508952 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104508964 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104508969 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104508974 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104508979 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104508986 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104508992 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104508999 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104509002 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br)OCc1ccccc1 ZINC000104510524 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br)OCc1ccccc1 ZINC000104510529 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br)OCc1ccccc1 ZINC000104510533 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br)OCc1ccccc1 ZINC000104510538 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510696 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510705 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510709 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510716 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510723 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510729 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510735 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104510745 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104510804 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104510811 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104510817 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104510824 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510908 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510913 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510920 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510927 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510935 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510942 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510947 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104510953 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104511168 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104511175 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104511181 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104511187 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511194 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511200 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511206 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511213 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104511269 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104511275 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104511280 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104511285 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511371 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511377 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511384 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104511389 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104511741 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104511748 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104511756 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104511764 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513783 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513787 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513792 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513795 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104513798 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104513802 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104513806 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104513811 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104513816 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104513819 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104513823 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104513825 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104513851 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104513855 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104513859 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104513863 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104513868 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104513872 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104513877 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104513882 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513887 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513892 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513897 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104513902 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104513922 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104513924 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104513928 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104513932 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104514347 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104514355 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104514361 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104514373 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514481 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514488 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514493 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514501 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104514623 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104514629 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104514633 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104514639 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514646 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514650 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514658 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104514664 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104516380 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104516388 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104516392 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104516398 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104516645 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104516651 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104516659 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104516664 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104516896 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104516902 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104516909 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104516913 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104516919 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104516924 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104516928 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104516931 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104516936 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104516941 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104516946 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104516951 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104516958 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104516963 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104516968 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104516972 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104517000 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104517004 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104517008 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104517011 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104517016 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104517021 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104517025 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104517030 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104517036 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104517039 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104517043 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104517048 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104517074 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104517078 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104517083 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104517088 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104517096 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104517100 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104517105 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104517111 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517118 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517121 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517126 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517131 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104517137 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104517144 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104517149 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104517155 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104517163 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104517170 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104517177 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104517183 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104517200 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104517207 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104517214 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104517220 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104517230 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104517233 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104517240 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104517246 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517255 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517261 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517268 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104517274 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104517309 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104517316 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104517326 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104517332 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104517339 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104517344 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104517351 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104517356 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104517407 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104517412 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104517419 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104517426 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000104517559 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000104517562 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000104517569 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000104517575 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104517584 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104517591 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104517598 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104517602 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104517607 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104517612 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104517617 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104517623 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104517681 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104517686 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104517692 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104517697 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104517703 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104517707 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104517712 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104517717 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104517740 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104517748 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104517751 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104517757 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104517764 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104517771 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104517777 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104517780 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104519695 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104519701 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104519707 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104519713 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104519721 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104519726 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104519731 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104519738 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104519926 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104519935 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104519942 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104519949 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104519957 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104519964 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104519968 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104519975 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104520038 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104520045 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104520051 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104520056 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104520067 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104520073 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104520079 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104520086 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104520312 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104520318 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104520324 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104520328 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104520408 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104520413 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104520419 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104520424 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104520765 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104520770 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104520776 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104520783 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000104522595 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000104522599 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c1 ZINC000104522602 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c1 ZINC000104522606 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104522892 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104522896 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104522901 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104522905 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104522911 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104522917 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104522921 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104522926 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104522939 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104522945 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104522951 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104522957 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104522976 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104522983 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104522990 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104522996 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104523004 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104523009 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104523014 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104523019 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104523034 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104523039 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104523043 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104523047 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104523375 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104523380 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104523413 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104523419 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104523428 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104523433 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523444 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523452 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523459 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523466 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523507 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523511 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523516 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104523519 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104523543 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104523548 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104523552 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104523556 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000104524816 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104524827 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104524895 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104524899 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104524924 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104524929 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104524934 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104524939 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104525025 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104525032 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104525037 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104525041 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104525047 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104525051 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104525056 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104525060 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104525166 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104525172 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104525175 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104525178 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525225 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525231 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525234 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525237 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104525245 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104525249 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104525253 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104525256 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525262 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525267 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525270 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104525273 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104525299 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104525302 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104525306 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104525312 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104525327 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104525331 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104525333 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104525337 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000104525349 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000104525353 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000104525357 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000104525364 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104525378 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104525386 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104525392 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104525397 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000104525431 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000104525438 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000104525444 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000104525451 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1 ZINC000104525456 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1 ZINC000104525463 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104525470 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104525477 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104525483 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104525490 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525502 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525506 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525510 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104525513 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104525572 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104525575 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104525581 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104525585 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104525615 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104525620 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104525625 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104525629 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104525639 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104525641 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104525646 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104525653 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104525669 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104525675 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104525681 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104525687 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104525693 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104525697 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104525705 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104525710 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104525721 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104525726 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104525733 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104525740 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104525745 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104525749 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104526856 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104526860 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104526863 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104526868 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104526965 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104526969 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104526973 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104526977 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104527026 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104527030 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104527035 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104527041 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104527106 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104527112 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104527115 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104527118 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104527143 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104527149 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104527154 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104527160 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)ccc1OC ZINC000104527204 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)ccc1OC ZINC000104527210 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)ccc1OC ZINC000104527216 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)ccc1OC ZINC000104527223 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104527273 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104527278 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104527283 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104527286 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104527415 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104527420 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104527424 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104527428 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104527511 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104527516 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104527519 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104527526 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104527626 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104527632 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104527637 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104527641 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104527677 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104527683 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104527689 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104527692 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104527839 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104527842 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104527845 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104527849 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104527940 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104527944 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104527947 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104527950 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104530815 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104530820 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104530824 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104530830 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104532791 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104532796 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104532799 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104532806 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104534932 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104534938 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104534944 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104534950 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535347 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535353 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535359 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535365 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535388 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535396 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535400 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535407 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535421 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535428 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535434 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104535442 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537156 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537161 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537166 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537170 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537192 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537196 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537203 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537209 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537216 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537225 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537231 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537237 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537246 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537252 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537258 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104537263 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537384 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537388 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537393 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537401 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537443 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537452 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537460 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104537464 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537560 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537568 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537577 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537584 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537594 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537601 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537604 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104537610 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537820 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537826 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537830 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537837 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537846 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537852 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537859 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104537865 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104537974 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104537979 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104537987 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104537993 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104539830 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104539836 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104539843 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104539849 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104539952 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104539957 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104539963 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104539970 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104539987 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104539994 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104540000 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104540006 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540118 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540125 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540132 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540138 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540146 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540150 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540158 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104540167 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104540372 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104540379 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104540386 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104540393 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104543003 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104543009 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104543015 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104543022 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543525 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543533 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543540 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543544 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543554 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543560 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543565 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543573 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543609 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543614 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543622 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104543628 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545388 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545392 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545400 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545406 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545415 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545422 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545429 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545434 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545489 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545496 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545506 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545512 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545551 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545557 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545563 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545568 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545577 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545583 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545590 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545597 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545604 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545611 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545620 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104545627 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104545736 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104545739 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104545744 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000104545749 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545938 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545945 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545950 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104545956 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546240 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546248 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546255 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546260 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546359 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546368 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546376 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104546383 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104548590 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104548596 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104548603 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104548610 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548774 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548780 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548786 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548792 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548798 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548803 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548809 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548813 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548841 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548846 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548853 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548859 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548866 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548870 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548875 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104548883 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104549030 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104549038 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104549043 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000104549049 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104549245 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104549251 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104549257 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104549263 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551260 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551267 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551272 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551279 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551285 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551289 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551296 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551302 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551385 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551393 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551399 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000104551408 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104551986 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104551993 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104552000 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104552005 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554266 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554273 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554281 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554289 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554294 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554301 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554305 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554310 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554343 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554349 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554352 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554358 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554386 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554390 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554399 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104554405 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104554691 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104554699 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104554703 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104554709 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554878 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554882 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554889 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554893 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554930 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554937 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554942 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554948 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554983 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554988 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554994 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104554999 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555002 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555006 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555009 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104555013 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556666 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556672 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556677 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556683 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556729 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556735 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556739 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556745 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556769 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556775 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556781 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104556787 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556813 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556820 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556825 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556831 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556864 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556869 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556876 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556882 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556915 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556923 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556928 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104556935 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557183 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557191 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557195 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557201 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557208 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557214 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557217 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104557223 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104559158 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104559162 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104559166 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104559172 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104559548 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000104559552 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104559557 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000104559563 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1 ZINC000104561232 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1 ZINC000104561237 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1 ZINC000104561244 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1 ZINC000104561249 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104561365 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104561371 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104561375 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104561379 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@H](O)c3ccccc3)ccc2c1 ZINC000104561386 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@H](O)c3ccccc3)ccc2c1 ZINC000104561392 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@H](O)c3ccccc3)ccc2c1 ZINC000104561398 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@H](O)c3ccccc3)ccc2c1 ZINC000104561402 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104561408 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104561410 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104561415 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000104561419 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104561630 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104561635 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104561639 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000104561644 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000104561728 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000104561732 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000104561738 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104561802 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104561807 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104561810 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104561815 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104562103 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104562106 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104562112 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000104562115 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104563599 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104563603 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104563607 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000104563611 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000104563906 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000104563911 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000104563917 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000104563921 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000104564022 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000104564027 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000104564032 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000104564036 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000104564145 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000104564153 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000104564158 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000104564162 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104565463 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104565467 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104565473 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104565478 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104565839 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104565844 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104565846 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104565849 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104565864 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104565869 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104565874 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1OC ZINC000104565878 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104565884 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104565890 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104565895 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104565900 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104565910 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104565914 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104566264 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104566268 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104566272 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104566276 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104566319 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104566321 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104566326 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104566331 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000104567593 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000104567595 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000104567599 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000104567604 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000104567627 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000104567632 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000104567639 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000104567646 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104567651 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104567657 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104567661 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104567667 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000104567674 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000104567680 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000104567686 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000104567692 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104567698 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104567703 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104567707 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104567711 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104567731 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104567736 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104567740 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104567746 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104567809 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104567813 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104567817 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000104567824 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104567828 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104567832 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104567837 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000104567842 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104567868 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104567872 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104567877 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104567882 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104567887 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104567893 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104567898 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104567906 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1OC ZINC000104567921 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1OC ZINC000104567926 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1OC ZINC000104567934 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1OC ZINC000104567939 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104567976 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104567980 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104567984 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104567988 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104567991 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104567996 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104568001 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104568005 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104568029 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104568037 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000104568042 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104568052 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104568057 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104568061 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104568065 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104568086 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104568091 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104568095 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104568100 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104568104 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104568109 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104568114 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104568119 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104568124 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104568129 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104568132 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104568136 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000104568208 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000104568213 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000104568219 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000104568225 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104568339 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104568342 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104568347 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104568352 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104568369 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104568372 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104568381 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104568385 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104568392 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104568397 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104568402 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104568407 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104568412 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104568416 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104568420 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104568423 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104568433 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104568437 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104568442 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104568447 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000104569893 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000104569898 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000104569903 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1OC ZINC000104569907 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104569925 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104569930 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104569934 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104569942 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569947 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569954 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569959 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569964 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569971 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569977 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569985 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104569990 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104570121 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104570126 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104570131 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104570136 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570355 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570359 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570363 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570368 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104570406 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104570412 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104570417 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570483 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570488 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570493 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104570496 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104570501 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104570506 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104570510 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000104570515 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000104570525 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000104570531 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000104570535 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1OC ZINC000104570541 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104570546 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104570552 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104570557 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104570562 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104570625 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104570631 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104570635 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104570640 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104570760 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104570765 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104570770 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104570774 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104570821 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104570825 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104570829 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104570834 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572066 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572072 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572077 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572080 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572220 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572225 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572232 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104572240 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572544 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572549 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572553 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572559 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104572564 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104572569 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104572574 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104572579 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104572587 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104572591 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104572596 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104572599 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104572607 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104572613 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104572618 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104572624 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104572631 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104572636 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104572642 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104572649 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572909 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572914 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572919 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104572924 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104572943 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104572945 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104572949 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104572953 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104572959 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104572962 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104572966 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104572970 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104573021 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104573027 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104573030 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104573035 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104573041 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104573045 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104573050 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104573055 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104573076 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104573078 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104573084 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104573087 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104573092 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104573096 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104573100 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104573103 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104574149 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104574152 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104574157 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104574160 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104574222 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104574225 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104574228 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104574231 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104574235 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104574239 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104574243 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104574247 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCOc3ccccc3)ccc2c1 ZINC000104574251 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCOc3ccccc3)ccc2c1 ZINC000104574254 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCOc3ccccc3)ccc2c1 ZINC000104574257 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCOc3ccccc3)ccc2c1 ZINC000104574261 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000104574278 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000104574283 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000104574286 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000104574289 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104574296 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104574302 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104574307 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000104574312 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000104574337 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000104574342 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000104574347 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000104574351 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000104574357 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000104574362 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000104574368 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000104574371 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104574377 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104574381 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104574385 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104574389 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000104574492 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000104574496 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000104574500 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000104574505 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104574551 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104574554 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104574558 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104574561 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574564 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574567 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574570 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574574 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104574577 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104574579 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104574583 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104574587 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574592 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574595 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574598 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574601 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574629 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574631 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574634 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104574636 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574639 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574641 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574644 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104574647 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104574650 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104574654 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104574658 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104574662 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104574668 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104574671 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104574676 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104574680 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104574688 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104574692 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104574695 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104574699 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574704 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574708 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574711 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574715 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104574719 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104574723 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104574728 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104574732 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104574749 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104574756 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104574759 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104574764 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104574769 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104574774 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104574778 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104574785 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574791 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574795 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574799 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104574804 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104574810 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104574815 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104574818 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104574823 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104574828 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104574830 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104574836 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104574840 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104574845 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104574849 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104574853 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104574858 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104574883 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104574888 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104574891 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104574895 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104575107 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104575110 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104575114 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104575117 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104575120 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104575125 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104575129 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104575130 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104575136 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104575141 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104575143 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104575149 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104575152 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104575157 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104575161 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104575164 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104575169 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104575173 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104575174 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104575177 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576424 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576429 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576434 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576439 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104576443 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104576447 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104576448 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104576452 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104576470 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104576473 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104576477 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104576481 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104576485 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104576490 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104576493 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104576498 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576506 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576511 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576517 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104576521 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104576525 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104576529 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104576533 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104576537 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104576541 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104576545 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104576548 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104576553 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104576558 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104576563 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104576568 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104576571 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576578 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576584 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576587 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576591 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104576595 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104576599 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104576604 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104576606 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576680 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576683 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576688 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104576693 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104576718 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104576721 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104576725 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000104576729 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104576868 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104576872 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104576878 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104576880 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104576938 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104576943 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104576946 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104576952 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104577033 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104577037 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104577040 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000104577043 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104577272 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104577275 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104577279 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104577282 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104578122 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104578126 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104578130 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104578134 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c1 ZINC000104578183 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c1 ZINC000104578185 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@@H]1C2(C)C ZINC000104578271 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@@H]1C2(C)C ZINC000104578274 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000104578277 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000104578279 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104578381 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104578384 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104578387 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104578390 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104578392 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104578396 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104578400 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104578404 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104578421 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104578424 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104578429 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104578431 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104578446 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104578453 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104578455 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104578460 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104578462 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104578465 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104578468 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104578472 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000104578807 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000104578813 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000104578816 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000104578819 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000104578836 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000104578838 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104578842 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104578845 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104578846 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104578851 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000104579683 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104579690 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104579729 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104579731 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000104579734 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000104579736 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000104579740 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000104579743 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104579746 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104579748 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104579751 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104579754 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3N)ccc2c1 ZINC000104579758 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3N)ccc2c1 ZINC000104579761 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3N)ccc2c1 ZINC000104579766 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(N)cc3)ccc2c1 ZINC000104579783 KK Annotated Clean COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(N)cc3)ccc2c1 ZINC000104579788 KK Annotated Clean COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(N)cc3)ccc2c1 ZINC000104579792 KK Annotated Clean CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000104579796 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000104579799 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000104579802 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000104579804 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104579809 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104579811 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104579813 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104579815 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000104579825 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000104579827 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000104579831 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000104579833 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104579837 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104579839 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104579842 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104579844 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104579846 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104579850 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104579853 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000104579857 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104579862 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104579867 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104579870 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104579875 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104579928 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104579931 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104579935 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000104579939 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104579979 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104579984 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104579987 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104579991 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104580040 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104580043 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104580046 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104580050 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000104580065 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000104580068 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104580074 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104580078 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104580083 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104580086 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104580093 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104580097 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104580102 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104580107 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104580111 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104580116 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104580119 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104580123 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104580134 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104580138 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104580141 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104580143 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1 ZINC000104580158 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1 ZINC000104580161 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104580180 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104580183 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104580187 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104580190 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104580292 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104580295 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104580297 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104580300 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104580304 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104580307 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104580311 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104580313 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104580316 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104580318 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104580321 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104580323 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104580336 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104580339 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104580342 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104580344 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104580352 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104580354 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104580356 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104580358 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104580360 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104580362 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104580364 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104580367 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104581207 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104581211 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104581215 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104581219 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104581318 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104581325 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104581329 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104581332 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104581359 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104581362 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104581365 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104581368 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000104581379 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000104581383 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104581388 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104581392 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104581414 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104581416 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104581420 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000104581422 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104581498 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104581501 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104581503 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104581506 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000104581592 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000104581596 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000104581598 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000104581600 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104581627 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104581631 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104581636 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000104581638 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000104581662 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000104581666 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104581673 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104581679 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104581684 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104581687 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000104581717 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC ZINC000104581722 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000104581729 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC ZINC000104581735 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104581745 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104581749 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104581752 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104581756 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104581788 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104581791 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104581796 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104581799 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000104581808 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000104581812 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104581818 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104581824 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104581830 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104581835 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104581949 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104581955 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104581959 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104581963 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104581968 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104581973 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104581979 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104581983 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104582052 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104582055 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104582060 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104582064 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583301 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583303 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583306 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583309 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104583314 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104583317 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104583319 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104583321 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104583324 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104583326 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104583329 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104583333 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104583337 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104583340 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104583343 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104583346 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000104583377 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000104583381 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000104583386 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000104583389 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583394 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583398 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583402 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104583406 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104583410 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104583414 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104583417 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000104583677 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000104583680 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000104583685 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000104583689 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104584828 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000104584831 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000104584834 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000104584838 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000104584920 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000104584922 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000104584925 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000104584926 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3F)ccc2c1 ZINC000104584972 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3F)ccc2c1 ZINC000104584974 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3F)ccc2c1 ZINC000104584978 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3F)ccc2c1 ZINC000104584982 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104584988 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104584992 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104584997 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000104585000 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000104585057 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000104585060 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000104585063 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000104585065 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104585084 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104585086 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104585089 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000104585093 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104585096 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104585098 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104585101 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2F)c(OC)c1OC ZINC000104585105 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585108 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585112 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585115 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104585119 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585170 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585174 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585179 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585183 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585189 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585192 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585197 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585200 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585241 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585246 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585250 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585253 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585257 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585261 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585264 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104585267 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585269 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585274 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585278 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104585281 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104585284 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104585288 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104585291 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1 ZINC000104585294 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585299 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585302 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585306 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585310 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104585314 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104585317 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104585320 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000104585322 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585326 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585329 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585330 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585334 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104585337 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104585339 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104585341 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000104585343 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104585350 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104585354 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104585357 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1 ZINC000104585361 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585375 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585379 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585382 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104585385 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585424 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585428 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585432 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585435 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585498 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585502 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585505 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104585508 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104585513 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104585519 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104585522 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104585526 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000104585560 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000104585562 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000104585568 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000104585572 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104585580 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104585583 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104585588 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000104585594 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104585600 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104585603 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104585609 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C ZINC000104585613 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104585617 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104585621 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104585623 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000104585626 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000104585649 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000104585653 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000104585656 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000104585659 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000104585666 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1OC ZINC000104585671 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000104585674 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1OC ZINC000104585677 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104585680 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104585683 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104585686 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000104585689 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586747 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586751 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586757 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586760 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586782 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586787 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586792 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104586794 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000104586802 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000104586806 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000104586811 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000104586816 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104586844 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104586848 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104586852 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104586855 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104586919 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104586923 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104586927 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104586930 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104587025 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104587030 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104587034 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104587037 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104587042 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104587045 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104587050 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104587054 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000104587150 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000104587153 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000104587157 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000104587162 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104587184 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104587190 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104587194 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104587198 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000104587209 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000104587215 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000104587219 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000104587222 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587264 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587270 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587275 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587280 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587301 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587308 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587312 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587318 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000104587342 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000104587346 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000104587348 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000104587353 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104587357 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000104587361 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104587365 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000104587367 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000104587392 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000104587398 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000104587404 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000104587409 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587412 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587415 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587419 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104587423 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587429 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587434 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587442 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000104587448 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F)OCC ZINC000104587744 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F)OCC ZINC000104587748 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F)OCC ZINC000104587753 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F)OCC ZINC000104587758 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1OC)OCC ZINC000104587764 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1OC)OCC ZINC000104587770 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1OC)OCC ZINC000104587774 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1OC)OCC ZINC000104587777 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104588732 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104588734 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104588740 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000104588743 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104588747 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104588751 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104588754 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000104588759 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000104588764 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000104588768 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000104588771 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)ccc1OC ZINC000104588775 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104588779 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104588784 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104588789 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000104588794 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000104588798 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000104588801 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000104588805 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104589026 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104589029 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104589033 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1OC ZINC000104589036 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589066 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589069 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589072 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589077 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104589080 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104589084 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104589089 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104589091 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104589094 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104589096 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104589100 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104589103 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104589267 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104589271 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104589274 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104589277 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589302 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589304 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589306 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104589309 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104589312 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104589315 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104589320 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104589324 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104589370 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104589374 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104589376 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC ZINC000104589378 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104589393 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104589399 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104589403 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104589409 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000104590316 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000104590319 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000104590322 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000104590326 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104590392 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104590395 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104590399 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104590403 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104590407 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104590411 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104590415 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104590418 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104590443 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000104590448 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104590453 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000104590457 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000104590486 KK Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000104590493 KK Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000104590497 KK Annotated Mild COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCC#N)ccc2c1 ZINC000104590501 KK Annotated Mild COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104590507 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104590511 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104590517 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000104590519 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104590525 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104590530 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104590534 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000104590539 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104590564 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104590566 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104590569 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000104590572 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590593 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590596 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590599 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590603 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590619 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590623 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590626 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000104590629 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104590636 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104590642 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104590648 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000104590653 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104590659 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104590665 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104590672 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000104590675 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104590713 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104590716 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104590719 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104590722 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104590726 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104590729 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104590731 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104590735 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104590783 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104590787 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104590790 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1OC ZINC000104590793 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104590812 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104590815 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104590818 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1OC ZINC000104590822 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104590827 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104590832 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104590837 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000104590841 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104590845 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104590851 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104590854 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000104590856 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104590862 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104590866 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104590870 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000104590873 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000104590879 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000104590883 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000104590888 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000104590893 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104590900 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104590904 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104590907 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000104590911 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590930 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590936 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590941 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590942 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104590947 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104590949 KK Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104590953 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104590956 KK Annotated Mild CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590962 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590965 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590968 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104590970 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104591015 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104591018 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104591020 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000104591025 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104591036 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104591041 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104591058 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104591063 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104591066 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 ZINC000104591069 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104591074 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104591080 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104591086 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104591091 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104591098 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104591102 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104591108 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104591115 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104591122 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104591128 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104591135 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000104591140 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104591146 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104591151 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104591153 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104591156 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104591162 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104591166 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104591171 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104591175 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000104592062 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000104592065 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000104592069 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000104592074 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCNC(=O)OCc1ccccc1 ZINC000104592081 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCNC(=O)OCc1ccccc1 ZINC000104592086 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCNC(=O)OCc1ccccc1 ZINC000104592091 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCNC(=O)OCc1ccccc1 ZINC000104592095 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104592170 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104592174 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104592180 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC ZINC000104592183 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592187 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592192 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592195 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592201 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592209 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592215 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592219 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104592222 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104592227 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104592230 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104592235 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104592238 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104592265 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104592270 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104592274 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000104592279 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592310 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592315 KK Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592320 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592324 KK Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592328 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592332 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592337 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104592340 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104592343 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104592348 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104592352 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104592356 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104592465 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104592469 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104592474 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1OC ZINC000104592478 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104592500 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104592505 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104592511 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000104592518 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104592522 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104592525 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104592528 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000104592532 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104592548 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104592550 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104592553 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104592558 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000104592565 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000104592569 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000104592575 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC ZINC000104592579 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104592622 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104592627 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104592632 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000104592636 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104592661 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104592664 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000104592669 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000104592675 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104592727 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104592731 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104592735 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000104592739 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br)C(=O)c1ccccc1 ZINC000104592743 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br)C(=O)c1ccccc1 ZINC000104592746 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br)C(=O)c1ccccc1 ZINC000104592748 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br)C(=O)c1ccccc1 ZINC000104592750 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1)OCC ZINC000104592815 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1)OCC ZINC000104592819 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1)OCC ZINC000104592823 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1)OCC ZINC000104592828 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1)OCC ZINC000104592863 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1)OCC ZINC000104592867 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1)OCC ZINC000104592870 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1)OCC ZINC000104592872 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104592876 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104592878 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104592881 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104592885 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104592888 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104592893 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104592896 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1Br)OCC ZINC000104592899 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592906 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592908 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592911 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CP(=O)(OCC)OCC ZINC000104592916 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104592923 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104592926 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104592929 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104592934 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC)c2OC)c1 ZINC000104593912 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC)c2OC)c1 ZINC000104593915 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC)c2OC)c1 ZINC000104593918 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC)c2OC)c1 ZINC000104593921 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000104594000 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000104594002 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000104594008 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000104594011 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc(OC)c1 ZINC000104594060 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc(OC)c1 ZINC000104594067 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc(OC)c1 ZINC000104594072 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc(OC)c1 ZINC000104594077 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000104594085 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000104594093 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000104594099 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)cc1 ZINC000104594105 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594111 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594115 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594120 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594123 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594208 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594212 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594220 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1OC ZINC000104594224 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000104594231 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000104594234 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000104594239 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)c1 ZINC000104594244 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594455 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594459 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594463 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594467 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104594472 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104594476 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104594480 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000104594483 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104594487 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104594494 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104594499 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104594503 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594531 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594536 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594539 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104594543 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594547 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594550 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594557 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594561 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594568 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594572 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594577 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000104594580 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104594585 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104594589 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104594594 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1 ZINC000104594599 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104594604 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104594610 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104594614 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc(OC)c1 ZINC000104594619 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104594624 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104594629 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104594634 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104594638 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104594731 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104594737 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104594742 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104594746 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594804 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594809 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594814 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104594818 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104594826 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104594831 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104594834 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104594839 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc(OC)c1 ZINC000104594855 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc(OC)c1 ZINC000104594857 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc(OC)c1 ZINC000104594859 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc(OC)c1 ZINC000104594861 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc1 ZINC000104594868 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc1 ZINC000104594872 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc1 ZINC000104594877 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)cc1 ZINC000104594881 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104594906 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104594910 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104594916 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c(OC)c1 ZINC000104594921 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104594926 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104594931 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104594937 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000104594942 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104594965 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104594970 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104594974 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104594979 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104594986 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104594992 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104594996 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)c1OC ZINC000104595001 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104595021 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104595025 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104595028 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000104595033 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104595041 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104595046 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104595051 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000104595056 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596037 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596042 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596047 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596054 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c(OC)c1 ZINC000104596058 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c(OC)c1 ZINC000104596062 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c(OC)c1 ZINC000104596066 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c(OC)c1 ZINC000104596070 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596115 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596120 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596124 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596129 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596135 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596138 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596144 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596149 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596156 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596161 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596164 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1OC ZINC000104596167 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1 ZINC000104596172 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1 ZINC000104596177 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1 ZINC000104596184 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)c1 ZINC000104596188 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)cc(OC)c1 ZINC000104596193 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)cc(OC)c1 ZINC000104596197 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)cc(OC)c1 ZINC000104596201 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2SC)cc(OC)c1 ZINC000104596205 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104596231 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104596236 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104596240 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000104596243 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104596248 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104596252 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104596256 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000104596259 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(C)=O)C3)ccc2c1 ZINC000104596282 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(C)=O)C3)ccc2c1 ZINC000104596288 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(C)=O)C3)ccc2c1 ZINC000104596294 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(C)=O)C3)ccc2c1 ZINC000104596299 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104596305 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104596310 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104596315 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000104596320 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104596327 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104596331 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104596333 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)c(OC)c1OC ZINC000104596337 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104596363 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104596369 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104596374 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1 ZINC000104596379 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596384 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596390 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596396 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596404 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104596410 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104596414 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104596419 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c(OC)c1 ZINC000104596422 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104596426 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104596430 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104596436 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104596443 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104596471 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104596478 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104596484 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000104596491 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596499 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596507 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596512 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1OC ZINC000104596517 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104596525 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104596530 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104596536 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)c1 ZINC000104596541 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104596550 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104596557 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104596563 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc(OC)c1 ZINC000104596567 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104596575 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104596580 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104596587 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104596592 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596598 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596602 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596607 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596614 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104596622 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104596626 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104596631 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1 ZINC000104596635 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104596645 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104596650 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104596656 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000104596663 KK Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104596670 KK Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104596676 KK Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104596681 KK Annotated Anodyne CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000104596686 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104596692 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104596698 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104596705 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000104596710 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104596715 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104596721 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104596726 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000104596730 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596736 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596742 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596748 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1OC ZINC000104596753 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104596759 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104596764 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104596770 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000104596774 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104596780 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104596783 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104596788 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000104596792 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104596796 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104596800 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104596804 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104596808 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104596857 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104596862 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104596867 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC ZINC000104596871 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104596879 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104596885 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104596890 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC ZINC000104596896 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104596903 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCOc1ccccc1 ZINC000104596910 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104596915 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCOc1ccccc1 ZINC000104596920 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596956 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596961 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596967 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000104596974 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596983 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596989 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104596994 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104597000 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104597006 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104597011 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104597017 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000104597023 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104597030 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104597036 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104597040 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000104597043 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104597046 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104597051 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104597055 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000104597059 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104597063 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104597068 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104597072 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104597076 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597837 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597841 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597844 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597849 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104597853 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104597856 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104597858 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c(OC)c1 ZINC000104597862 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597896 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597901 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597905 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1OC ZINC000104597909 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000104597914 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000104597919 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000104597923 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)c1 ZINC000104597928 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104597968 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104597973 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104597979 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104597982 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104597986 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104597990 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104597995 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c(OC)c1 ZINC000104597999 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598005 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598009 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598011 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598014 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104598033 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104598035 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104598040 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104598043 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598049 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598054 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598056 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104598061 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104598067 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104598070 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104598073 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1OC ZINC000104598078 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104598082 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104598087 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104598092 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000104598096 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104598101 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104598106 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104598111 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1 ZINC000104598116 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104598120 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104598122 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104598127 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104598130 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104598136 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104598140 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104598144 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000104598146 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104598153 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104598154 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104598157 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c(OC)c1 ZINC000104598159 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104598161 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104598165 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104598169 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104598173 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104598187 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104598192 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104598196 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000104598200 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104598270 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104598274 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104598278 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c(OC)c1 ZINC000104598281 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104598285 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104598288 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104598292 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1OC ZINC000104598299 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598325 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598330 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598333 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598337 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598343 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598348 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598350 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598355 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104598359 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104598364 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104598368 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)c1 ZINC000104598374 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104598379 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104598384 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104598389 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc(OC)c1 ZINC000104598394 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104598399 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104598405 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104598410 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)cc1 ZINC000104598415 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104598420 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104598425 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104598433 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000104598440 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598516 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598519 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598524 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000104598529 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598536 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598542 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598548 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000104598553 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)c1 ZINC000104598560 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)c1 ZINC000104598564 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)c1 ZINC000104598568 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)c1 ZINC000104598573 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000104598581 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000104598586 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000104598591 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000104598596 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104598600 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104598605 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104598609 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)cc1 ZINC000104598613 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104598724 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104598729 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104598736 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)C(=O)c1ccccc1 ZINC000104598743 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc1 ZINC000104598815 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc1 ZINC000104598819 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc1 ZINC000104598823 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)cc1 ZINC000104598825 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC)OCC ZINC000104598830 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC)c1OC)OCC ZINC000104598834 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC)OCC ZINC000104598837 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC)c1OC)OCC ZINC000104598841 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC)OCC ZINC000104598847 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC)cc1OC)OCC ZINC000104598850 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC)OCC ZINC000104598855 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC)cc1OC)OCC ZINC000104598859 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104598934 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104598939 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104598945 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104598950 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC)OCC ZINC000104598957 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC)OCC ZINC000104598962 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC)OCC ZINC000104598967 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cccc(OC)c1OC)OCC ZINC000104598973 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC)OCC ZINC000104598979 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC)OCC ZINC000104598983 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC)OCC ZINC000104598989 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC)OCC ZINC000104598993 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1)OCC ZINC000104598999 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1)OCC ZINC000104599002 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1)OCC ZINC000104599007 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1)OCC ZINC000104599011 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104599017 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104599021 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104599027 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)cc1 ZINC000104599030 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104599841 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104599846 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104599852 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c1 ZINC000104599856 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccccc2F)c1 ZINC000104599891 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccccc2F)c1 ZINC000104599896 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccccc2F)c1 ZINC000104599900 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccccc2F)c1 ZINC000104599902 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104599915 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104599921 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104599927 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)ccc2OC)ccc1OC ZINC000104599933 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000104599940 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000104599944 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000104599949 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c1 ZINC000104599955 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000104599973 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000104599977 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c1 ZINC000104599981 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c1 ZINC000104599985 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@@H]1C2(C)C ZINC000104600085 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@@H]1C2(C)C ZINC000104600091 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000104600095 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000104600098 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104600104 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104600107 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104600112 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000104600116 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)ccc1OC ZINC000104600157 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)ccc1OC ZINC000104600162 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)ccc1OC ZINC000104600168 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)ccc1OC ZINC000104600174 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104600264 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104600270 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104600273 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104600277 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104600282 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104600286 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104600292 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104600297 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104600339 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104600344 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104600347 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104600351 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104600378 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104600383 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104600388 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104600393 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104600408 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104600415 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104600420 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104600426 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000104600558 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000104600566 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104600633 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000104600639 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)ccc1OC ZINC000104600698 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)ccc1OC ZINC000104600702 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)ccc1OC ZINC000104600707 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OC)ccc1OC ZINC000104600711 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000104600746 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104600753 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104600756 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104600762 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104600770 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104600776 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104600781 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000104600786 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104600891 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104600895 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104600900 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104600905 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000104602252 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000104602265 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104602370 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104602376 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104602381 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104602388 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000104602395 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000104602403 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104602409 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104602487 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@H]1C)C2(C)C ZINC000104602493 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@H]([C@@H]1C)C2(C)C ZINC000104602500 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104602506 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104602512 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104602520 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)ccc2c1 ZINC000104602527 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104602581 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104602586 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104602592 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000104602599 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104602605 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104602611 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104602616 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@@H]3O)ccc2c1 ZINC000104602624 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104602639 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104602645 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000104602650 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000104602655 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104602662 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104602667 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104602671 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)c(OC)c1OC ZINC000104602676 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000104602688 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000104602692 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104602699 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104602705 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104602711 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccccc2F)c(OC)c1OC ZINC000104602718 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(N)cc2)c(OC)c1OC ZINC000104602724 KK Annotated Clean COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(N)cc2)c(OC)c1OC ZINC000104602729 KK Annotated Clean COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104602736 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104602743 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104602748 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)c(OC)c1OC ZINC000104602754 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000104602780 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000104602785 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104602792 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104602797 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000104602802 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000104602807 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602853 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602858 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602863 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602868 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602908 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602913 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602920 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000104602924 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104602940 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104602946 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104602951 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104602956 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104602963 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104602970 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104602973 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000104602977 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104602982 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104602987 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104602992 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1 ZINC000104602997 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000104603005 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000104603010 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000104603046 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000104603054 KK Annotated Clean CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104603063 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104603068 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104603075 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104603082 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000104603118 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000104603123 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000104603131 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000104603137 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000104603146 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000104603153 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000104603156 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000104603161 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1 ZINC000104603166 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1 ZINC000104603172 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104603178 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104603184 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104603188 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000104603194 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603206 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603213 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603218 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603225 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603263 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603271 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603276 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000104603282 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104603298 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104603305 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104603311 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104603317 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104603323 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104603327 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104603332 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104603338 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104603342 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104603350 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104603355 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000104603361 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000104603369 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000104603374 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104603380 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000104603385 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104603390 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000104603395 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000104603405 KK Annotated Clean CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC000104603411 KK Annotated Clean CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104603417 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104603424 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104603428 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104603433 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104603439 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104603445 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104603449 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000104603456 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104603461 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104603467 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104603472 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000104603477 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104603485 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000104603489 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104603496 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104603503 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104603507 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104603512 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104604855 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104604859 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104604864 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000104604869 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104604968 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104604972 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104604977 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104604983 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104604988 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104604992 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104604996 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605002 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104605009 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104605014 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104605019 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000104605024 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605036 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605042 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605044 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605049 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104605061 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104605066 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104605071 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104605078 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605083 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605088 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605092 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605098 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605104 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605110 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605115 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104605119 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104605131 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104605138 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104605143 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000104605149 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104605233 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104605239 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104605245 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000104605249 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104605261 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104605264 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104605269 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104605273 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605409 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605412 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605418 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605423 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104605464 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104605474 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104605478 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104605486 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000104605491 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC ZINC000104605495 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000104605502 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)cc1OC ZINC000104605511 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104605524 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104605530 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104605535 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000104605539 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605551 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605556 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605562 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000104605570 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000104605606 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104605613 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)cc1OC ZINC000104605620 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)cc1OC ZINC000104605625 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104605657 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104605662 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104605667 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000104605673 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104605787 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000104605790 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104605796 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000104605800 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104605808 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104605815 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104605820 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1)OCC ZINC000104605825 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104605831 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104605837 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104605844 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2)OCC ZINC000104605850 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccccc1F)OCC ZINC000104605861 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccccc1F)OCC ZINC000104605867 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F)OCC ZINC000104605870 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccccc1F)OCC ZINC000104605876 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104605888 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104605893 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104605900 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CP(=O)(OCC)OCC)ccc1OC ZINC000104605906 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1)OCC ZINC000104605913 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(F)cc1)OCC ZINC000104605918 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(F)cc1)OCC ZINC000104605924 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(F)cc1)OCC ZINC000104605929 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104605964 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104605969 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104605972 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000104605976 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104609875 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104609880 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104609885 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610450 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610455 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610460 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104610465 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610519 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610523 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610528 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610531 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610565 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610570 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610574 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610579 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610622 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610627 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610632 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104610636 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612344 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612348 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612352 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)Cc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612356 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612369 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612373 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612379 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612386 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612400 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612406 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612411 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612417 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612420 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612424 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612430 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612435 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612440 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612445 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612451 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612457 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612462 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612467 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104612476 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614792 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614796 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614802 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614806 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614823 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614826 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614831 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104614834 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104614915 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104614920 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104614925 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104614931 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615079 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615083 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615088 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000104615094 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615228 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615231 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615237 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615241 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615247 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615251 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615256 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615261 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615289 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615294 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615297 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104615300 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615556 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615561 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615564 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615571 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615590 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615595 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615600 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000104615605 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104615675 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104615680 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104615684 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104615688 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104617001 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104617005 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104617010 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000104617013 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104617078 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104617082 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104617086 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104617089 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617203 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617206 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617210 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617213 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617232 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617236 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617240 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104617244 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617271 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617275 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617279 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617284 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617324 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617328 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617334 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617338 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617345 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617347 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617353 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617356 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104617359 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104617363 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104617368 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104617372 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617375 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617378 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617382 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104617386 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617410 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617413 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617417 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617421 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617435 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617438 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617442 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cc(OC)c(OC)c(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617448 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617452 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617458 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617463 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617466 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617470 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617474 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617479 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617482 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617494 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617499 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617504 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617507 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617513 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617520 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617522 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104617526 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104617560 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104617565 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104617570 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104617574 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104617695 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104617700 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104617705 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104617710 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104617714 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000104617721 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104617726 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000104617731 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104617745 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104617751 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104617755 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000104617760 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104617764 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104617770 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104617774 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000104617779 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104618892 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104618896 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104618899 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000104618906 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104618991 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104618995 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104618999 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(OC)c(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619004 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619040 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619044 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619050 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619054 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619060 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619065 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619071 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619075 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104619079 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104619083 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104619088 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104619092 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619100 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619104 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619107 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619110 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619115 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619118 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619120 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104619125 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619159 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619164 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619170 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619174 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619179 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619186 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619190 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619196 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619217 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619220 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619223 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(C(C)(C)C)cc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104619225 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619340 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619345 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619349 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619353 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619359 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619364 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619369 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619375 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619419 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619421 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104619426 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104619627 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104619633 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104619639 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000104619645 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104619782 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104619788 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104619792 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000104619795 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104619826 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104619829 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104619833 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1)OCC ZINC000104619836 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104620947 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104620951 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104620954 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000104620956 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621513 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621518 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621524 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104621529 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104621607 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104621610 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104621615 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)cc1 ZINC000104621622 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104622061 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104622066 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104622070 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104622075 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623395 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623399 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623405 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623411 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623464 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623470 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623476 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104623479 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623764 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623768 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623773 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623778 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623887 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623893 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623897 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623902 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623908 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623913 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623918 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623922 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623944 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623949 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623954 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104623961 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104623967 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104623972 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104623977 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000104623983 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104623993 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104623996 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624001 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624008 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624013 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624019 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624023 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624028 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624035 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624041 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624046 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624051 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624065 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624070 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624073 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624077 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624085 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624091 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624095 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624100 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624104 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624107 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624109 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624113 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cc(OC)ccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624117 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cc(OC)ccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624119 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cc(OC)ccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624123 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cc(OC)ccc3OC)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624124 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624129 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624133 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624135 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104624138 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104624144 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104624148 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104624154 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000104624158 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104624219 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104624223 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104624228 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104624230 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104624391 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104624395 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104624398 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000104624403 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104624458 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104624463 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104624469 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccccc2OCC)cc1 ZINC000104624474 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625807 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625811 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625815 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625821 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625826 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625831 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625835 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625839 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625844 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625850 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625855 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCOc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625858 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625879 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625884 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625889 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625895 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625901 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625907 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625913 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625918 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625923 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625929 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625935 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cccc(OC)c3OC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625940 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625971 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625974 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625978 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3cc(OC)cc(OC)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104625984 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104625992 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104625996 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104626001 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000104626006 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104626100 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104626105 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104626110 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104626114 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626350 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626355 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626360 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104626364 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626551 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626555 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626559 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104626565 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104626847 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104626850 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104626854 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl)OCC ZINC000104626858 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104628186 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104628193 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104628196 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000104628200 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628368 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628371 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628377 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628381 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104628421 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104628424 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104628428 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2c(-c3ccccc3)noc2C)ccc1OC ZINC000104628431 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628445 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628448 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628452 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104628456 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104628851 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104628857 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104628865 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000104628874 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630203 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630207 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630210 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630214 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630308 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630312 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630316 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000104630321 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630325 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630330 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630334 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630339 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630444 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630449 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630451 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000104630455 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630498 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630503 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630508 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630513 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104630524 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104630529 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104630533 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2cccnc2Oc2ccccc2)ccc1OC ZINC000104630536 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630584 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630588 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630591 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104630593 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630599 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630605 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630608 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630612 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630616 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630618 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630623 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630626 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104630657 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104630658 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104630660 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1OC ZINC000104630664 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630669 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630672 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630676 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630678 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630685 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630689 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630694 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630699 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630704 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104630709 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104630816 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104630821 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104630825 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000104630831 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104630837 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104630842 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104630848 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000104630852 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104630910 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104630915 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104630921 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000104630926 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104630965 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104630970 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104630976 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1C[C@@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000104630982 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632418 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632423 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632429 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632434 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632467 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632472 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632477 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccccc3F)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632482 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104632497 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104632506 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104632512 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3cccc(OC)c3)CN2C(=O)c2ccc(C3CCCCC3)cc2)ccc1OC ZINC000104632520 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632526 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632534 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632539 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632545 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632560 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632568 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632574 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104632576 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104632700 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104632705 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104632708 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000104632713 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632807 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632811 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632816 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632821 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632935 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632938 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632943 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000104632948 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104632974 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104632976 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104632982 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104632986 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104633094 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104633098 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104633104 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104633111 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104634630 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104634636 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104634641 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104634644 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104636365 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104636370 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104636375 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104636381 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104636406 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104636410 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104636414 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104636419 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104636425 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104636430 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104636437 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104636443 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636453 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636457 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636465 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104636472 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104636477 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104636482 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104636487 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104636604 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104636608 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104636613 KK Annotated Anodyne O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104636618 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104636624 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104636629 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104636633 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104636637 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104636869 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104636874 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104636876 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104636881 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636943 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636948 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636952 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104636958 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104638424 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104638428 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104638433 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104638439 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104640484 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104640491 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104640497 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000104640502 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104640872 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104640877 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104640880 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000104640883 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104641065 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104641069 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104641075 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000104641081 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104642258 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104642262 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104642265 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104642268 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642399 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642403 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642406 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000104642454 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000104642460 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000104642464 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000104642469 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104642564 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104642569 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104642572 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000104642575 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642585 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642591 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642597 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104642602 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104642608 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104642612 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104642615 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)c(OC)c1OC ZINC000104642620 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642684 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642690 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642694 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642698 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104642763 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104642767 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104642771 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104642775 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642781 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642785 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642789 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000104642793 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642841 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642847 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642850 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642857 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642977 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642980 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642988 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104642991 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104642999 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104643006 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104643010 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104643017 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104643043 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104643048 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104643053 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104643058 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104644106 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104644109 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104644112 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000104644118 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104644188 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104644194 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104644200 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000104644205 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104644228 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104644233 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104644237 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000104644242 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104644331 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104644336 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104644339 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000104644343 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104644348 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104644351 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104644354 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000104644359 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104644403 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104644407 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104644411 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000104644412 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)c(OC)c1OC ZINC000104644416 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)c(OC)c1OC ZINC000104644419 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)c(OC)c1OC ZINC000104644423 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)c(OC)c1OC ZINC000104644426 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644461 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644467 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644476 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104644535 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104644537 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104644542 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000104644546 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)cc1OC ZINC000104644552 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)cc1OC ZINC000104644558 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)cc1OC ZINC000104644560 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)cc1OC ZINC000104644564 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644569 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644574 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644578 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000104644582 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)cc1OC ZINC000104644624 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCSC)cc1OC ZINC000104644627 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)cc1OC ZINC000104644632 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCSC)cc1OC ZINC000104644638 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104644652 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104644656 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104644660 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000104644665 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644716 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644719 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644724 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000104644730 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644737 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644741 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644745 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644748 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1 ZINC000104644753 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1 ZINC000104644755 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1 ZINC000104644758 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)C(=O)c1ccccc1 ZINC000104644762 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104644835 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104644841 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104644843 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000104644848 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644859 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644862 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644864 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104644867 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104644872 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104644875 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104644879 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1)OCC ZINC000104644882 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104645965 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104645969 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104646092 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104646096 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000104646098 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104646189 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104646194 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104646586 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104646592 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104646597 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000104646601 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104648121 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104648126 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104648135 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000104648139 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104648155 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104648162 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104648166 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000104648172 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104648200 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104648205 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104648210 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000104648217 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104648225 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104648229 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104648235 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000104648239 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104648267 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104648273 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104648279 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000104648284 KK Annotated Anodyne COc1ccc(CCN2C(=S)N[C@@H]3c4cccc(OC)c4O[C@]2(C)[C@H]3C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000104786143 KK Annotated Anodyne c1cc(C(c2ccc(OC[C@@H]3CO3)cc2)C(c2ccc(OC[C@@H]3CO3)cc2)c2ccc(OC[C@@H]3CO3)cc2)ccc1OC[C@@H]1CO1 ZINC000104852384 KK Annotated Anodyne O=C1C[C@](O)(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000104853692 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000104882825 KK Annotated Mild CC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)c(Cl)c1)C1CCCCC1)C(=O)c1nnc(-c2ccccc2)o1 ZINC000104923307 KK Annotated Anodyne CCC[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)c(Cl)c1)C1CCCCC1)C(=O)c1nnc(CC)o1 ZINC000104923319 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000104925620 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104925626 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104925652 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104925706 KK Annotated Mild COc1ccc(Oc2nc(NCc3c(C)cccc3Cl)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104925714 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104925763 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104925789 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104925905 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104925920 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104925946 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104925952 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104925963 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104925968 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000104925975 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000104925981 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000104925984 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104926075 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000104926081 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104926089 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104926118 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000104926122 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104926128 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000104926133 KK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926155 KK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926160 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104926263 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926399 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926411 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926415 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926421 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926434 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C(F)(F)F)cc3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926453 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926460 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926467 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926473 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926476 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926496 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926502 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926509 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926512 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926516 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926525 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926540 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926548 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926551 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926556 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000104926580 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926587 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926596 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926602 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926605 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2c(C)cccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926611 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2c(C)cccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926616 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2c(C)cccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104926620 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926639 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(C(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926645 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(C(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926649 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(C(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926653 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926658 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926661 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926665 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(C(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926672 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926677 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926691 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926695 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926699 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926701 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926706 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926710 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926714 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926720 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926726 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926734 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926745 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926750 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926755 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926763 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926771 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926775 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926785 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000104926791 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926803 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926811 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926816 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926820 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926844 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926859 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926865 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000104926869 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926894 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926902 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 ZINC000104926908 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 ZINC000104926913 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 ZINC000104926918 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926940 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926952 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926957 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926962 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104926980 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926986 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926991 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926993 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104926998 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927001 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927005 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927012 KK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000104927030 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927034 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927038 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927042 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927049 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927054 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927057 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000104927079 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000104927083 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000104927086 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(Cl)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927093 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(Cl)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927097 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(Cl)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927102 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927117 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104927122 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104927126 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000104927130 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927136 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927138 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104927142 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927171 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927176 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927193 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C(F)(F)F)cc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927197 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927223 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927229 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927233 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000104927244 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927258 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927264 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)ccc3F)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927280 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927296 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C(F)(F)F)cc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927314 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927321 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927328 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104927339 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927345 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927352 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927356 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104927363 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104927368 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927376 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927381 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927387 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927417 KK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccc(OC)c(OC)c2)n1 ZINC000104927438 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927442 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927480 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927511 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927536 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3OC)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927545 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927570 KK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000104927577 KK Annotated Anodyne C=CCN(c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104927589 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927605 KK Annotated Anodyne C=CCN(c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104927617 KK Annotated Mild C=CCN(c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104927621 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104927632 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104927643 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000104927665 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000104927672 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000104927680 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104927688 KK Annotated Mild COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104927694 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104927700 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104927832 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104927839 KK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCC#N)Cc2ccccc2)n1 ZINC000104927935 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000104927957 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104927969 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000104927983 KK Annotated Anodyne CCN(c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000104928029 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000104928047 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104928060 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000104928123 KK Annotated Mild COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000104928197 KK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104928234 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104928277 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104928285 KK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N2CCc3ccccc3C2)n1 ZINC000104928695 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104928742 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104928757 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000104928843 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104928855 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000104928870 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000104928872 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000104928875 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104928940 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000104928943 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000104928953 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000104929024 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000104929029 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000104929037 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929051 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929055 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929059 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929063 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929066 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929104 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000104929108 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000104929113 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000104929117 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929140 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1 ZINC000104929148 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1 ZINC000104929152 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc3ccccc23)nc(Oc2ccc(OC)cc2)n1 ZINC000104929157 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929208 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929212 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929216 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929222 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929225 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929229 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929236 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000104929239 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929244 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929272 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929279 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104929290 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104929295 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000104929301 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929319 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929328 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929331 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929334 KK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000104929404 KK Annotated Mild CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929411 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929418 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929423 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929445 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929451 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929455 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929459 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929470 KK Annotated Anodyne CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCc2ccccc2)Cc2ccccc2)n1 ZINC000104929490 KK Annotated Mild CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929495 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929498 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929502 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929532 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929538 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929543 KK Annotated Anodyne CCCCN(CC)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929555 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929572 KK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC)n1 ZINC000104929584 KK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C[C@@H](CC)CCCC)C[C@H](CC)CCCC)n1 ZINC000104929588 KK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C[C@H](CC)CCCC)C[C@H](CC)CCCC)n1 ZINC000104929593 KK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CCCC)Cc2ccccc2)n1 ZINC000104929601 KK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(CC)Cc2ccccc2)n1 ZINC000104929610 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929617 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929621 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929625 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929627 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929639 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929649 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929659 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929663 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929667 KK Annotated Anodyne CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C[C@@H](CC)CCCC)C[C@@H](CC)CCCC)n1 ZINC000104929671 KK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C[C@@H](CC)CCCC)C[C@H](CC)CCCC)n1 ZINC000104929675 KK Annotated Mild CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C[C@H](CC)CCCC)C[C@H](CC)CCCC)n1 ZINC000104929679 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929705 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929711 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929733 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104929745 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929789 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929791 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929796 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929801 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929809 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104929862 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104929869 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000104929878 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104929946 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104929951 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104929954 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104929959 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104929967 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc4ccccc34)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104930047 KK Annotated Anodyne C=CCN(CC=C)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000104930057 KK Annotated Mild CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000104930138 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104930161 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104930197 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104930201 KK Annotated Anodyne CCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000104930203 KK Annotated Mild COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000104930231 KK Annotated Anodyne CCCCCCCCCCCNc1nc(Oc2ccc(OC)cc2)nc(N(C)CCc2ccccc2)n1 ZINC000104930254 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104930277 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104930289 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000104930295 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104930318 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000104930322 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000104930353 KK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCCc4ccc(Oc5ccccc5)cc4)n3)cc2)cc1 ZINC000104932333 KK Annotated Anodyne FC(F)(F)c1cc(Oc2cncc(NCCc3ccc(Oc4ccccc4)cc3)n2)cc(C(F)(F)F)c1 ZINC000104932344 KK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)cc2)cc1 ZINC000104932642 KK Annotated Mild Cc1ccc(Oc2cncc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(-n2nc3ccccc3n2)c1 ZINC000104932649 KK Annotated Anodyne FC(F)(F)c1cc(CNc2cncc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(C(F)(F)F)c1 ZINC000104932655 KK Annotated Mild FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NCC(c4ccccc4)c4ccccc4)n3)cc2)cc1 ZINC000104932668 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104933264 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104933268 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000104934806 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000104934812 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000104934818 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000104934823 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)NCc4cccc(OC(F)(F)F)c4)C3)co2)cc1 ZINC000104935290 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCc4cccc(OC(F)(F)F)c4)C3)co2)cc1 ZINC000104935295 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@H](C(=O)NCCC3=CCCCC3)C2)cs1 ZINC000104935479 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@@H](C(=O)NCCC3=CCCCC3)C2)cs1 ZINC000104935484 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104935488 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104935492 KK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104935568 KK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104935572 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104935588 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104935593 KK Annotated Anodyne O=C(NCC1CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104935632 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936233 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936238 KK Annotated Anodyne CCC#CCOC(=O)[C@@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104936772 KK Annotated Mild CCC#CCOC(=O)[C@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104936776 KK Annotated Mild CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104936837 KK Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)C1 ZINC000104936842 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@H](C(=O)OCCc3ccccn3)C2)cs1 ZINC000104936848 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@@H](C(=O)OCCc3ccccn3)C2)cs1 ZINC000104936853 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@H](C(=O)OCCC3CCCCC3)C2)cs1 ZINC000104936860 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N2CCC[C@@H](C(=O)OCCC3CCCCC3)C2)cs1 ZINC000104936864 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936893 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936897 KK Annotated Anodyne CN(C)CCCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936902 KK Annotated Anodyne CN(C)CCCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936908 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936912 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936919 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936940 KK Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936945 KK Annotated Anodyne O=C(OCCc1ccccn1)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936948 KK Annotated Anodyne O=C(OCCc1ccccn1)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936953 KK Annotated Anodyne O=C(OCCC1CCCCC1)[C@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936959 KK Annotated Anodyne O=C(OCCC1CCCCC1)[C@@H]1CCCN(C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C1 ZINC000104936963 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)NCc3ccccc3N)cc2)cs1 ZINC000104937204 KK Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000104937214 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cs1 ZINC000104937218 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)NCC3CCCCC3)cc2)cs1 ZINC000104937235 KK Annotated Anodyne CCCCOCCCNC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104937268 KK Annotated Anodyne O=C(NCc1ccco1)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104937274 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2)cs1 ZINC000104937313 KK Annotated Anodyne CCCCNC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000104937617 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)cs1 ZINC000104937641 KK Annotated Anodyne O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104937679 KK Annotated Anodyne CCC#CCOC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000104937993 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)OCC(C)(C)N(C)C)cc2)cs1 ZINC000104938007 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)OCCCCN(C)C)cc2)cs1 ZINC000104938012 KK Annotated Anodyne CCCCOC(=O)COC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000104938015 KK Annotated Anodyne CCCCOCCOC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000104938032 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)OCCc3ccccn3)cc2)cs1 ZINC000104938037 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)OCCC3CCCCC3)cc2)cs1 ZINC000104938043 KK Annotated Anodyne CN(C)CCOCCOC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938047 KK Annotated Anodyne CN(C)CCOC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938059 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938065 KK Annotated Anodyne CN(C)CCCCOC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938071 KK Annotated Anodyne CCCCOC(=O)COC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938078 KK Annotated Anodyne CCCCOCCOC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938098 KK Annotated Anodyne O=C(OCCc1ccccn1)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938103 KK Annotated Anodyne O=C(OCCC1CCCCC1)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000104938110 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)NCCC2=CCCCC2)C(C)C)cs1 ZINC000104938402 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)NCCC2=CCCCC2)C(C)C)cs1 ZINC000104938405 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)NCC2CCCCC2)C(C)C)cs1 ZINC000104938459 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)NCC2CCCCC2)C(C)C)cs1 ZINC000104938464 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCC1=CCCCC1 ZINC000104938502 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCC1=CCCCC1 ZINC000104938505 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(C)C)c1OC ZINC000104938511 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(C)C)c1OC ZINC000104938516 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000104938523 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000104938527 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000104939184 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000104939189 KK Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1)C(C)C ZINC000104939781 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1)C(C)C ZINC000104939785 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)OCCc2ccccn2)C(C)C)cs1 ZINC000104939790 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)OCCc2ccccn2)C(C)C)cs1 ZINC000104939794 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C(=O)OCCC2CCCCC2)C(C)C)cs1 ZINC000104939799 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C(=O)OCCC2CCCCC2)C(C)C)cs1 ZINC000104939803 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000104939854 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000104939858 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCc1ccccn1 ZINC000104939889 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCc1ccccn1 ZINC000104939893 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCC1CCCCC1 ZINC000104939897 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCC1CCCCC1 ZINC000104939902 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000104940263 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(=O)NCCC2=CCCCC2)cs1 ZINC000104940267 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(=O)NCC2CCCCC2)cs1 ZINC000104940349 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(=O)NCC2CCCCC2)cs1 ZINC000104940356 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104941172 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104941179 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104941279 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](C)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104941283 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](C)C(=O)OCCC2CCCCC2)cs1 ZINC000104942073 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)C(=O)OCCC2CCCCC2)cs1 ZINC000104942076 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000104943366 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000104943369 KK Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCC1=CCCCC1 ZINC000104943636 KK Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCC1=CCCCC1 ZINC000104943642 KK Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCC1CCCCC1 ZINC000104943683 KK Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCC1CCCCC1 ZINC000104943687 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCCN(CCCC)CCCC)co2)cc1 ZINC000104943922 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCCN(CCCC)CCCC)co2)cc1 ZINC000104943927 KK Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCC1CCCCC1 ZINC000104944896 KK Annotated Anodyne CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCC1CCCCC1 ZINC000104944901 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000104945060 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000104945063 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000104945133 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2coc(-c3ccc(C)cc3)n2)c1OC ZINC000104945137 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000104945185 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2coc(-c3ccccc3C)n2)c1OC ZINC000104945188 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CO)CSCc2ccccc2)cs1 ZINC000104945268 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CO)CSCc2ccccc2)cs1 ZINC000104945272 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945275 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945278 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945283 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945288 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945293 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945297 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000104945334 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000104945338 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000104945341 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000104945345 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000104945351 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000104945355 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000104945358 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000104945360 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000104945606 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000104945608 KK Annotated Anodyne CCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945739 KK Annotated Anodyne CCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104945743 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000104945791 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000104945795 KK Annotated Anodyne COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104946143 KK Annotated Anodyne COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104946146 KK Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946150 KK Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946153 KK Annotated Mild CN(C)CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946155 KK Annotated Anodyne CN(C)CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946159 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946165 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946169 KK Annotated Anodyne COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946183 KK Annotated Anodyne COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946186 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000104946238 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000104946242 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000104946286 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000104946288 KK Annotated Anodyne O=C(CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)NCc1cccc(OC(F)(F)F)c1 ZINC000104946462 KK Annotated Mild CCCCN(CCCC)CCNC(=O)CNC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104946768 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCC(=O)OCCC2CCCCC2)cs1 ZINC000104947070 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 ZINC000104948379 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 ZINC000104948384 KK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104948611 KK Annotated Anodyne O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104948613 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000104948617 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000104948623 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104948628 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104948634 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949198 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949201 KK Annotated Anodyne O=C(OCCc1ccccn1)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949722 KK Annotated Anodyne O=C(OCCc1ccccn1)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949728 KK Annotated Anodyne O=C(OCCC1CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949733 KK Annotated Anodyne O=C(OCCC1CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949738 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)cs1 ZINC000104949933 KK Annotated Anodyne CN(CC(=O)NCc1cccc(OC(F)(F)F)c1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104949982 KK Annotated Mild CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104950217 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)CN(C)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104950245 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CC(=O)OCCC2CCCCC2)cs1 ZINC000104950468 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104950765 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104950770 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104950779 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104950782 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000104951251 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000104951253 KK Annotated Anodyne CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104951487 KK Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000104951489 KK Annotated Mild CCC#CCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951505 KK Annotated Mild CCC#CCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951509 KK Annotated Mild CN(C)C(C)(C)COC(=O)[C@@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951520 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](COCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951525 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951565 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000104951567 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000104951737 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104953403 KK Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104953407 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000104955553 KK Annotated Bother CCCCN(CCCC)CCNC(=O)c1ccc(CNC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000104955841 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104960954 KK Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104960956 KK Annotated Bother COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000104960962 KK Annotated Bother COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000104960964 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104960984 KK Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104960987 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104961056 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104961061 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104961092 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104961095 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104961138 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104961143 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104961149 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104961152 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1OC ZINC000104961157 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2csc(-c3ccc(Cl)cc3)n2)c1OC ZINC000104961161 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2cccs2)n1 ZINC000104961315 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2cccs2)n1 ZINC000104961318 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961353 KK Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961359 KK Annotated Bother COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000104961363 KK Annotated Bother COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2csc(-c3ccccc3[N+](=O)[O-])n2)c1OC ZINC000104961369 KK Annotated Bother CCCCOCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961372 KK Annotated Bother CCCCOCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961377 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961388 KK Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961391 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961415 KK Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)NCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961419 KK Annotated Bother COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000104961453 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC ZINC000104961456 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104961463 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104961467 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2csc(Nc3ccccc3)n2)c1OC ZINC000104961502 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2csc(Nc3ccccc3)n2)c1OC ZINC000104961504 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104961574 KK Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104961577 KK Annotated Bother CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104961713 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104961717 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000104961823 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 ZINC000104961827 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961885 KK Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104961887 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104961932 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCCN1CCCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104961938 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 ZINC000104962024 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 ZINC000104962029 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104962232 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 ZINC000104962236 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962265 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962269 KK Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962300 KK Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962306 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962326 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962331 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962336 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000104962340 KK Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OCCc3ccccn3)cs2)c1 ZINC000104962413 KK Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)OCCc3ccccn3)cs2)c1 ZINC000104962416 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962552 KK Annotated Bother CCCCOCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962557 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962569 KK Annotated Bother O=C(N[C@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104962574 KK Annotated Bother O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104962645 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104962650 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104962655 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCC1CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104962660 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104967248 KK Annotated Bother O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104967251 KK Annotated Bother O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104967276 KK Annotated Bother O=C(N[C@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104967280 KK Annotated Bother COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000104967441 KK Annotated Anodyne COc1cc(OC)cc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)NCCC3=CCCCC3)cs2)c1 ZINC000104967443 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104967580 KK Annotated Bother O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104967584 KK Annotated Bother O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104967608 KK Annotated Bother O=C(N[C@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104967613 KK Annotated Bother O=C(N[C@@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104967681 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCc1cccc(OC(F)(F)F)c1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000104967685 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104968177 KK Annotated Bother CCCCN(CCCC)CCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000104968181 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)c3cc(F)ccc3C)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105109925 KK Annotated Anodyne COc1ccc(OC)c(CC(=O)N(C)CCN(C)c2nc(NCc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3n2)c1 ZINC000105110119 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cc(Cl)ccc3OC)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105110187 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cnccn3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105111245 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CSC(=S)c3ccccc3)nc(NCc3cccs3)c2cc1OC ZINC000105111301 KK Annotated Anodyne COc1ccccc1CNc1nc(N(C)CCN(C)C(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105111332 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)COc3cccc4ccccc34)nc(NCc3cccs3)c2cc1OC ZINC000105111369 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)COc3cccc4ccccc34)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105111391 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCOc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105111572 KK Annotated Anodyne COc1ccc(CCCC(=O)N(C)CCN(C)c2nc(NCc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105111652 KK Annotated Anodyne COc1ccc(CCNc2nc(N(C)CCN(C)C(=O)CSC(=S)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105111971 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105112577 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105112586 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105112795 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccs3)c2cc1OC ZINC000105112846 KK Annotated Bother COc1ccccc1CNc1nc(N(C)CCN(C)C(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105112873 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCCC3CCCCC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105112952 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCCCC3CCCCC3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105112992 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cc(-c4ccccc4)nc4ccccc34)nc(N[C@@H]3CCCCNC3=O)c2cc1OC ZINC000105113389 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cc(-c4ccccc4)nc4ccccc34)nc(N[C@H]3CCCCNC3=O)c2cc1OC ZINC000105113394 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccccc3)c2cc1OC ZINC000105113414 KK Annotated Bother COc1ccc(CCNc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105113424 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105113429 KK Annotated Bother CCN(CC)CCCNc1nc(N(C)CCN(C)C(=O)CCCCC2CCCCC2)nc2cc(OC)c(OC)cc12 ZINC000105113636 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccoc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105116708 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105116764 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3nccc4ccccc34)nc(NCc3cccs3)c2cc1OC ZINC000105116825 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3nccc4ccccc34)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105116839 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105116904 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCc3ccco3)c2cc1OC ZINC000105116916 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCc3cccs3)c2cc1OC ZINC000105116921 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105116940 KK Annotated Anodyne COCCOCCOCC(=O)NCCCCNc1nc(NCCC(c2ccccc2)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000105116987 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(Br)cc3)nc(NCc3ccco3)c2cc1OC ZINC000105117022 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(Br)cc3)nc(NCc3cccs3)c2cc1OC ZINC000105117026 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105117155 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3nccc4ccccc34)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105117327 KK Annotated Anodyne COc1ccc(OC)c(CC(=O)NCCCCNc2nc(NCCCN(C)c3ccccc3)c3cc(OC)c(OC)cc3n2)c1 ZINC000105117405 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105117487 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(Br)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105117598 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(Br)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105117626 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105117632 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3ccco3)c2cc1OC ZINC000105117738 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3cccs3)c2cc1OC ZINC000105117744 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105117755 KK Annotated Anodyne COc1ccccc1CNc1nc(NCCCCNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105117764 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)COc3cccc4ccccc34)nc(NCc3ccco3)c2cc1OC ZINC000105117786 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)COc3cccc4ccccc34)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105117806 KK Annotated Anodyne COCC(=O)NCCCCNc1nc(NCCC(c2ccccc2)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000105117869 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCOc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105117937 KK Annotated Anodyne COc1ccc(CCCC(=O)NCCCCNc2nc(NCc3ccco3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105117971 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3ccco3)c2cc1OC ZINC000105118025 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3cccs3)c2cc1OC ZINC000105118030 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105118045 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(OC(C)C)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105118102 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105118196 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3ccccc3)c2cc1OC ZINC000105118208 KK Annotated Anodyne COc1ccc(CCNc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105118219 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105118224 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105118231 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)COc3cccc4ccccc34)nc(NCCCOC(C)C)c2cc1OC ZINC000105118267 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)COc3cccc4ccccc34)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105118300 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105118309 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCCCCNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105118315 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCCCCNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105118321 KK Annotated Anodyne COc1ccc(CCNc2nc(NCCCCNC(=O)CCOc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105118445 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCOc3ccc(F)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105118451 KK Annotated Anodyne COc1ccc(CCCC(=O)NCCCCNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105118496 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105118526 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105118585 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(OC(C)C)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105118617 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccc(OC(C)C)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105118646 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCCCNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000105118653 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105118703 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCc3cccs3)c2cc1OC ZINC000105118720 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105118727 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105118736 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3ccncc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105118783 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105118866 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccs3)c2cc1OC ZINC000105118881 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCc3ccccc3)c2cc1OC ZINC000105118891 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105118896 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccco3)c2cc1OC ZINC000105118932 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccs3)c2cc1OC ZINC000105118938 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105118950 KK Annotated Bother COc1ccccc1CNc1nc(NCCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105118959 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCCC3CCCCC3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105119075 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCc3ccc(F)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105119121 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccccc3)c2cc1OC ZINC000105119305 KK Annotated Bother COc1ccc(CCNc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc3cc(OC)c(OC)cc23)cc1 ZINC000105119313 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105119317 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105119392 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccccc3)c2cc1OC ZINC000105119401 KK Annotated Bother COc1ccc(CCNc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105119409 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105119412 KK Annotated Bother CCN(CC)CCCNc1nc(NCCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105119415 KK Annotated Bother COc1cc2nc(NCCCNC(=O)c3ccoc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105119652 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105119702 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105119713 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(OC)c4ccccc4n3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105119770 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3nccc4ccccc34)nc(NCc3cccs3)c2cc1OC ZINC000105119811 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3nccc4ccccc34)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105119822 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3nccc4ccccc34)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105119833 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105119914 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCc3cccs3)c2cc1OC ZINC000105119928 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(Cl)ccc3OC)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105119944 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3ccc(Br)cc3)nc(NCc3cccs3)c2cc1OC ZINC000105120038 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105120159 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3nccc4ccccc34)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105120302 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105120662 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3cccs3)c2cc1OC ZINC000105120674 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105120683 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105120690 KK Annotated Anodyne COc1ccccc1CNc1nc(NCCCNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105120700 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)COc3cccc4ccccc34)nc(NCc3ccco3)c2cc1OC ZINC000105120723 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)COc3cccc4ccccc34)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105120745 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCOc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105120873 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3cccs3)c2cc1OC ZINC000105120995 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105121011 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3ccc(OC(C)C)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105121049 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3ccc(OC(C)C)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105121058 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3ccccc3)c2cc1OC ZINC000105121154 KK Annotated Anodyne COc1ccc(CCNc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105121164 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CSC(=S)c3ccccc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105121169 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)COc3cccc4ccccc34)nc(NCCCOC(C)C)c2cc1OC ZINC000105121201 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)COc3cccc4ccccc34)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105121224 KK Annotated Anodyne COc1ccc(CCCC(=O)NCCCNc2nc(NCCCN(C)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105121425 KK Annotated Anodyne COc1ccc(CCNc2nc(NCCCNC(=O)c3cc4cccc(OC)c4o3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105121488 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc4cccc(OC)c4o3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105121493 KK Annotated Anodyne COc1ccc(CCNc2nc(NCCCNC(=O)c3ccc(OC(C)C)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105121564 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3ccc(OC(C)C)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105121570 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105121620 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105121649 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105121661 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3ccncc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105121704 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105121814 KK Annotated Bother COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCc3ccccc3)c2cc1OC ZINC000105121818 KK Annotated Bother COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105121822 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105121880 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccs3)c2cc1OC ZINC000105121892 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105121901 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105121904 KK Annotated Bother COc1ccccc1CNc1nc(NCCCNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105121911 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCCC3CCCCC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105121959 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCCCC3CCCCC3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105122000 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105122056 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105122306 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccccc3)c2cc1OC ZINC000105122430 KK Annotated Bother COc1ccc(CCNc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105122439 KK Annotated Bother COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105122444 KK Annotated Bother CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000105127547 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105136804 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCc3cccs3)c2cc1OC ZINC000105136823 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105136837 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCCCc3ccccc3)c2cc1OC ZINC000105136844 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105136849 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000105136860 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCc3ccco3)c2cc1OC ZINC000105136870 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCc3cccs3)c2cc1OC ZINC000105136876 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105136888 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)c2cc(OC)c3ccccc3n2)nc2cc(OC)c(OC)cc12 ZINC000105136892 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3nccc4ccccc34)nc(NCc3ccco3)c2cc1OC ZINC000105136915 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3nccc4ccccc34)nc(NCc3cccs3)c2cc1OC ZINC000105136921 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3nccc4ccccc34)nc(NCCCc3ccccc3)c2cc1OC ZINC000105136932 KK Annotated Anodyne COc1ccc(OC)c(CC(=O)NCC(C)(C)CNc2nc(NCc3ccccc3OC)c3cc(OC)c(OC)cc3n2)c1 ZINC000105136986 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(Cl)ccc3OC)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105136997 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(Cl)ccc3OC)nc(NCc3ccco3)c2cc1OC ZINC000105137009 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(Cl)ccc3OC)nc(NCc3cccs3)c2cc1OC ZINC000105137016 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCc3ccco3)c2cc1OC ZINC000105137117 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCc3cccs3)c2cc1OC ZINC000105137123 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105137135 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105137144 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccoc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105137172 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCCCOC(C)C)c2cc1OC ZINC000105137213 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc3cc(OC)c(OC)cc23)cc1 ZINC000105137235 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105137244 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2cc(F)ccc2C)nc2cc(OC)c(OC)cc12 ZINC000105137248 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCCCOC(C)C)c2cc1OC ZINC000105137287 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCc3ccccc3)c2cc1OC ZINC000105137295 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105137302 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105137306 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2cc(OC)c3ccccc3n2)nc2cc(OC)c(OC)cc12 ZINC000105137310 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3nccc4ccccc34)nc(NCc3ccccc3)c2cc1OC ZINC000105137352 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3nccc4ccccc34)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105137367 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2nccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105137372 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)Cc3cc(OC)ccc3OC)nc3cc(OC)c(OC)cc23)cc1 ZINC000105137422 KK Annotated Anodyne COc1ccc(OC)c(CC(=O)NCC(C)(C)CNc2nc(NCCCN(C)c3ccccc3)c3cc(OC)c(OC)cc3n2)c1 ZINC000105137428 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(Cl)ccc3OC)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105137491 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105137498 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105137504 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc(Cl)ccc2OC)nc2cc(OC)c(OC)cc12 ZINC000105137507 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105137599 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105137616 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105137620 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105137627 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105137632 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccc(Br)cc2)nc2cc(OC)c(OC)cc12 ZINC000105137635 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cnccn3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105137688 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCc3ccco3)c2cc1OC ZINC000105137726 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCc3cccs3)c2cc1OC ZINC000105137729 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105137738 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105137743 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCc3ccco3)c2cc1OC ZINC000105137758 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCc3cccs3)c2cc1OC ZINC000105137762 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCCCc3ccccc3)c2cc1OC ZINC000105137774 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105137785 KK Annotated Anodyne COCC(=O)NCC(C)(C)CNc1nc(NCCC(c2ccccc2)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000105137818 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105137846 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCc3ccco3)c2cc1OC ZINC000105137853 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105137871 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105137876 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)CCOc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105137885 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCCc3cccc(OC)c3OC)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105137896 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCc3ccco3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105137905 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105137923 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCc3ccccc3OC)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105137932 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3ccco3)c2cc1OC ZINC000105137947 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCc3cccs3)c2cc1OC ZINC000105137953 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105137963 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105137972 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(OC(C)C)cc3)nc(NCc3ccco3)c2cc1OC ZINC000105137994 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(OC(C)C)cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105138006 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138022 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105138112 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCc3ccccc3)c2cc1OC ZINC000105138116 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105138127 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105138132 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105138137 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CSC(=S)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105138141 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCCCOC(C)C)c2cc1OC ZINC000105138165 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCc3ccccc3)c2cc1OC ZINC000105138173 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc3cc(OC)c(OC)cc23)cc1 ZINC000105138181 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105138185 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105138192 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105138196 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)COc2cccc3ccccc23)nc2cc(OC)c(OC)cc12 ZINC000105138198 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105138274 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105138293 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105138298 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCCCOC(C)C)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105138343 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCCc3ccc(OC)cc3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105138366 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCCCN(C)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000105138370 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138375 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138379 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)CCCc2ccc(OC)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138382 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCCCOC(C)C)c2cc1OC ZINC000105138404 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105138423 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105138430 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105138436 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105138440 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2cc3cccc(OC)c3o2)nc2cc(OC)c(OC)cc12 ZINC000105138444 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(OC(C)C)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105138467 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3ccc(OC(C)C)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105138479 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(OC(C)C)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105138484 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138488 KK Annotated Anodyne CC[C@@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138491 KK Annotated Anodyne CC[C@H](COC)Nc1nc(NCC(C)(C)CNC(=O)c2ccc(OC(C)C)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138494 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105138531 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCc3ccco3)c2cc1OC ZINC000105138540 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCc3cccs3)c2cc1OC ZINC000105138545 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105138557 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105138563 KK Annotated Anodyne COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138575 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccncc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105138615 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccncc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105138628 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105138706 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccs3)c2cc1OC ZINC000105138723 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCc3ccccc3)c2cc1OC ZINC000105138736 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105138742 KK Annotated Bother COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)c2cccc(C)c2[N+](=O)[O-])nc2cc(OC)c(OC)cc12 ZINC000105138749 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccco3)c2cc1OC ZINC000105138786 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccs3)c2cc1OC ZINC000105138793 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCc3ccccc3)c2cc1OC ZINC000105138803 KK Annotated Bother COc1ccccc1CNc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105138810 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCCC3CCCCC3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105138880 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCCCC3CCCCC3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105138908 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105138922 KK Annotated Anodyne COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105138944 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105138951 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)CCc2ccc(F)cc2)nc2cc(OC)c(OC)cc12 ZINC000105138961 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCc3ccccc3)c2cc1OC ZINC000105139160 KK Annotated Bother COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc3cc(OC)c(OC)cc23)cc1 ZINC000105139173 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105139178 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000105139264 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3ccccc3)c2cc1OC ZINC000105139277 KK Annotated Bother COc1ccc(CCNc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc3cc(OC)c(OC)cc23)cc1 ZINC000105139290 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105139295 KK Annotated Bother CCN(CC)CCCNc1nc(NCC(C)(C)CNC(=O)CCCc2ccc([N+](=O)[O-])cc2)nc2cc(OC)c(OC)cc12 ZINC000105139302 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCCC3CCCCC3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105139460 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3cccc4ccccc34)c2cc1OC ZINC000105141317 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCc3cccc4ccccc34)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105141381 KK Annotated Anodyne COc1ccccc1CNc1nc(NCCC(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000105143713 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105143849 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105143873 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3ccccc3)c2cc1OC ZINC000105144629 KK Annotated Anodyne COc1ccccc1CNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000105144718 KK Annotated Anodyne COc1cccc(CNc2nc(NCc3ccccc3Sc3ccccc3CO)nc3cc(OC)c(OC)cc23)c1 ZINC000105144809 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000105144994 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105145060 KK Annotated Anodyne COc1ccc(CNc2nc(NCc3ccccc3Sc3ccccc3CO)nc3cc(OC)c(OC)cc23)cc1 ZINC000105145175 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000105145257 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000105145263 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000105145301 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000105145306 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000105148402 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000105148407 KK Annotated Anodyne COc1ccccc1CCNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000105148664 KK Annotated Anodyne COc1cccc(CCNc2nc(NCc3ccccc3Sc3ccccc3CO)nc3cc(OC)c(OC)cc23)c1 ZINC000105148754 KK Annotated Anodyne COc1ccc(CCNc2nc(NCc3ccccc3Sc3ccccc3CO)nc3cc(OC)c(OC)cc23)cc1OC ZINC000105148835 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCc3ccc(O)cc3)c2cc1OC ZINC000105148982 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105150887 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000105151143 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000105151192 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000105151217 KK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105151467 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105152104 KK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105152134 KK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000105152140 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCCC(c3ccccc3)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105152146 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCCOC(C)C)c2cc1OC ZINC000105152184 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCCCc3ccccc3)c2cc1OC ZINC000105152294 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000105152415 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000105152445 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000105152525 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000105152553 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCc3ccc(C(F)(F)F)cc3)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105152607 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105155292 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000105155460 KK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105155861 KK Annotated Anodyne COc1cc2nc(NCC(c3ccccc3)c3ccccc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105155868 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000105156224 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCc3ccc(C)cc3)c2cc1OC ZINC000105156309 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000105156388 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCCc3cccc(OC)c3OC)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105156437 KK Annotated Anodyne COc1cc2nc(NCCCN(C)c3ccccc3)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000105156578 KK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000105156609 KK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000105156611 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCCc3ccc(Oc4ccccc4)cc3)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105156618 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCc3ccc(F)cc3)c2cc1OC ZINC000105156641 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105156732 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000105156756 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NCc3ccccc3Cl)c2cc1OC ZINC000105158940 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCCc3ccccc3)c2cc1OC ZINC000105159631 KK Annotated Anodyne COC1=CC2=C3[C@@H](Cc4cc5c(c(c4)Oc4ccc(cc4)C[C@@H]4c6cc7c(cc6CCN4C)OC[C@@]3(O7)C1=O)OCO5)N(C)CC2 ZINC000105159805 KK Annotated Mild COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCc3ccccc3Cl)c2cc1OC ZINC000105159972 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCc3ccc(Cl)cc3Cl)c2cc1OC ZINC000105160035 KK Annotated Anodyne COc1cc2nc(NCCCN(C)c3ccccc3)nc(NCCc3ccc(Cl)cc3Cl)c2cc1OC ZINC000105160040 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCCc3ccc(Cl)cc3Cl)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000105160093 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105161207 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105161350 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 ZINC000105161570 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3)n2)cc1OC ZINC000105161594 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105162795 KK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105162804 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000105162903 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000105162906 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105162940 KK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105162947 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105163110 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000105163115 KK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163129 KK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163142 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105163151 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105163260 KK Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105163271 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C[C@H]2C[C@@H]1C2(C)C ZINC000105163275 KK Annotated Bother COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105163278 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105163281 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163341 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163347 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163350 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163353 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163377 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163387 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163394 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163409 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163493 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163496 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163498 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000105163502 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163588 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](CC)CC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105163664 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](CC)CC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105163668 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](CC)CC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105163675 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](CC)CC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105163677 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163775 KK Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105163963 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105163977 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105164037 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)NCc3ccccc3Cl)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105164294 KK Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164428 KK Annotated Bother COc1ccccc1CCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164598 KK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164622 KK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164651 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164703 KK Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164757 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105164874 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105164907 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164962 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105164971 KK Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105164997 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105165110 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000105165160 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105165192 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105165361 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105165377 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(F)cc2)n1 ZINC000105165595 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000105165619 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000105165846 KK Annotated Anodyne COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(F)cc3)n2)cc1 ZINC000105165866 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000105166010 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000105166027 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000105166051 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(F)cc1 ZINC000105166293 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(F)cc1 ZINC000105167444 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000105167689 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccco3)n2)cc1OC ZINC000105167983 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)cc1OC ZINC000105168160 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccco3)n2)cc1OC ZINC000105168326 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccco1 ZINC000105168682 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000105169186 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000105169191 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000105169194 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000105169198 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(C)CC(C)C)cc(OC)c1OC ZINC000105169224 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000105169248 KK Annotated Anodyne COc1cc(-c2nc(NC3CCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169298 KK Annotated Anodyne COc1cc(-c2nc(NC3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169315 KK Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169321 KK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169328 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169334 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105169521 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105169527 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105169532 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105169537 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169696 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169701 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169709 KK Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc(OC)c1OC ZINC000105169716 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105169721 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170180 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170187 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170194 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170200 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000105170282 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000105170328 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000105170359 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170598 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170605 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170612 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000105170616 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000105170832 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCCCC2)cc(OC)c1OC ZINC000105171331 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000105171383 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000105171387 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000105171389 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N2CCC(C)CC2)cc(OC)c1OC ZINC000105171417 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000105172348 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105172656 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000105172975 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000105172979 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173098 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173100 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173105 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000105173111 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000105173440 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000105173444 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105173753 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000105173756 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1cccc(C)c1 ZINC000105174185 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc(C)c3)n2)cc1OC ZINC000105174992 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105175034 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105175038 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175043 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105175046 KK Annotated Bother C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc1-c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000105175356 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105175362 KK Annotated Bother C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)nc1-c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000105175368 KK Annotated Bother C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)nc1-c1ccc([N+](=O)[O-])cc1)C2(C)C ZINC000105175371 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175449 KK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175454 KK Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175471 KK Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175475 KK Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175479 KK Annotated Bother COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175485 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105175545 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175717 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175720 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105175724 KK Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175779 KK Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105175784 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105175813 KK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105175815 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175820 KK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105175823 KK Annotated Bother COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105175852 KK Annotated Bother COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105175854 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105175858 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105175860 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105175864 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105175866 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105175886 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105175888 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105175925 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105175930 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105175935 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105175938 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176058 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176064 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176199 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176203 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105176235 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105176239 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105176245 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000105176251 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](CC)CC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105176358 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](CC)CC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105176362 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](CC)CC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105176366 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](CC)CC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105176370 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105176738 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105176744 KK Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105176827 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105177029 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105177034 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000105177154 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105177195 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105177325 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177420 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105177424 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc1-c1ccccc1F)C2(C)C ZINC000105177679 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105177683 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)nc1-c1ccccc1F)C2(C)C ZINC000105177687 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@@H](C[C@H]1NC(=O)c1cnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)nc1-c1ccccc1F)C2(C)C ZINC000105177693 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105177787 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000105177791 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178193 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000105178200 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105178293 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105178297 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105178302 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105178308 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccccc1F ZINC000105178555 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105179563 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105179570 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccccc1F ZINC000105179606 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105180114 KK Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105180165 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105180509 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105180515 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105181088 KK Annotated Mild COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105181092 KK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105181122 KK Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105181128 KK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105182254 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105182258 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105182354 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105182360 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105182365 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105182371 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000105182575 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000105182582 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182601 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182606 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182613 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182620 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105182658 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105182665 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105182677 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000105182691 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000105182695 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105182873 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105182880 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105182886 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105182894 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CCC#N)CCC#N)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105182979 KK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105182987 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105182993 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105182998 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105183007 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105183021 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105183027 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105183033 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105183039 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183051 KK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183057 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105183101 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105183143 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105183151 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105183158 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000105183166 KK Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105183194 KK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183306 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183313 KK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000105183494 KK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000105183501 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105183612 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105183618 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183624 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183628 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105183644 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105183907 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105183912 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183919 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105183926 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000105183962 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000105183969 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105184232 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3CCC(C)CC3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105184259 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105184387 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105184415 KK Annotated Mild COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000105184421 KK Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000105184485 KK Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000105184493 KK Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(C#N)cc1 ZINC000105184722 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000105184960 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000105185362 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000105185368 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000105185373 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000105185375 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105185623 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105185628 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105185634 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000105185637 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105185650 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105185718 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000105185722 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105185809 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105185813 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccccc1F ZINC000105185828 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105185852 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105185857 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105185862 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105185867 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(C#N)cc1 ZINC000105185907 KK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105185957 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000105185962 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105185968 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000105185974 KK Annotated Anodyne C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105186125 KK Annotated Anodyne C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105186130 KK Annotated Anodyne C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105186138 KK Annotated Anodyne C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(-c2ccccc2)cc1 ZINC000105186143 KK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(C#N)cc1 ZINC000105186366 KK Annotated Mild COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccccc3)s2)c1 ZINC000105188679 KK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000105188689 KK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000105188758 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccccc3)s2)c1 ZINC000105189147 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3)s2)c1 ZINC000105189154 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105189181 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105189187 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105189193 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105189197 KK Annotated Anodyne Clc1cccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)c1 ZINC000105189253 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccccc3)s2)c1 ZINC000105189279 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000105189287 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccccc3)s2)c1 ZINC000105189702 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)c1OC ZINC000105189708 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3)n2)c1 ZINC000105189734 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)c1 ZINC000105189742 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3)n2)cc(OC)c1 ZINC000105189763 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc(OC)c1 ZINC000105189773 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3)n2)cc1 ZINC000105189794 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000105189806 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccccc3)s2)c1 ZINC000105189829 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccccc3)s2)cc1 ZINC000105189837 KK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000105189847 KK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)c1 ZINC000105189884 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccccc3)s2)c1 ZINC000105189915 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccccc3)s2)cc1 ZINC000105189923 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1OC ZINC000105189928 KK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)c1 ZINC000105189949 KK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000105189972 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000105190150 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccccc3)s2)c1 ZINC000105190169 KK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000105190174 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000105190196 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190270 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190278 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190286 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105190322 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105190329 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190351 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190357 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190363 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190400 KK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000105190410 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190442 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190489 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190493 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190497 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190501 KK Annotated Bother C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105190511 KK Annotated Bother C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105190515 KK Annotated Bother C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105190520 KK Annotated Bother C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105190525 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190555 KK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000105190568 KK Annotated Bother Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000105190573 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105190594 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105190597 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105190633 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105190636 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190642 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190646 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190649 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190652 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190657 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190660 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190663 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190665 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105190670 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105190673 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105190678 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105190683 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190697 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190701 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190717 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190719 KK Annotated Bother CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105190724 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190744 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190749 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190752 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190774 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190778 KK Annotated Bother CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000105190810 KK Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105190876 KK Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105190881 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190916 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190920 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190923 KK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105190929 KK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105190932 KK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000105190935 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105190942 KK Annotated Bother CC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000105190949 KK Annotated Bother COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000105190951 KK Annotated Bother COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000105190959 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105190963 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190966 KK Annotated Bother COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000105190969 KK Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000105190972 KK Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000105190979 KK Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000105190982 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105190987 KK Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000105190991 KK Annotated Bother COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000105190996 KK Annotated Bother COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000105191004 KK Annotated Bother COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000105191009 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191013 KK Annotated Bother COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000105191016 KK Annotated Bother CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105191031 KK Annotated Bother CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105191036 KK Annotated Bother Cc1oc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000105191039 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105191044 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2nc3ccccc3s2)c1 ZINC000105191047 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000105191051 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191056 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191060 KK Annotated Bother Cc1oc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000105191064 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105191069 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2nc3ccccc3s2)c1 ZINC000105191073 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000105191078 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191082 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191086 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105191090 KK Annotated Bother CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000105191097 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105191101 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105191111 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191115 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000105191124 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191134 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191140 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105191145 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191155 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191161 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105191166 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191221 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105191229 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191250 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105191255 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191274 KK Annotated Bother COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105191284 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(C(F)(F)F)c3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000105191300 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(C(F)(F)F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105191314 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191331 KK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105191342 KK Annotated Bother CC(=O)NCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105191365 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191401 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191406 KK Annotated Bother COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000105191411 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191432 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000105191439 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105191446 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105191466 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105191475 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000105191492 KK Annotated Bother Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000105191500 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191541 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105191548 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105191554 KK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000105191596 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191838 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191844 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191851 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191854 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105191864 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105191870 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105191875 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105191880 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105191883 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105191887 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191925 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105191933 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191950 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000105191958 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105191989 KK Annotated Anodyne Fc1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105191995 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)CC1 ZINC000105192064 KK Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000105192149 KK Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000105192154 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192283 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105192288 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)c1OC ZINC000105192295 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc(F)cc3)n2)c1 ZINC000105192317 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105192322 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)c1 ZINC000105192329 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000105192354 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105192359 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000105192366 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000105192395 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000105192420 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192428 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105192433 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105192438 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000105192456 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192461 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105192471 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192496 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000105192505 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000105192509 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192532 KK Annotated Anodyne Fc1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105192536 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192555 KK Annotated Anodyne Fc1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105192564 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105192642 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192661 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000105192667 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000105192723 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192791 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000105192802 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccc(F)cc3)s2)c1 ZINC000105192825 KK Annotated Anodyne Fc1ccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105192831 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000105192864 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000105192890 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccco3)s2)c1 ZINC000105192934 KK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000105192940 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccco3)s2)c1 ZINC000105193255 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccco3)s2)c1 ZINC000105193260 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105193277 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105193282 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000105193340 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccco3)s2)c1 ZINC000105193638 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)c1OC ZINC000105193646 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccco3)n2)c1 ZINC000105193663 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)c1 ZINC000105193667 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccco3)n2)cc(OC)c1 ZINC000105193680 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc(OC)c1 ZINC000105193684 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccco3)n2)cc1 ZINC000105193696 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000105193702 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccco3)s2)c1 ZINC000105193724 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccco3)s2)cc1 ZINC000105193730 KK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000105193736 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3ccco3)s2)c1 ZINC000105193752 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3ccco3)s2)cc1 ZINC000105193757 KK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)c1 ZINC000105193763 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccco3)s2)c1 ZINC000105193792 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccco3)s2)cc1 ZINC000105193799 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1OC ZINC000105193807 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000105194076 KK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000105194115 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000105194143 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194203 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000105194210 KK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105194216 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194242 KK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194265 KK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194278 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194299 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194306 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194312 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105194322 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105194337 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194344 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194355 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194372 KK Annotated Anodyne COc1cc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194379 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194398 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194405 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194412 KK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194437 KK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105194444 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194463 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194471 KK Annotated Anodyne COc1cc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194482 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194551 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194557 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194562 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194569 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194577 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194584 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194587 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194592 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194598 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194605 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194611 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194617 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194646 KK Annotated Anodyne COc1cc(-c2nc(N(C)CC(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194657 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194679 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194683 KK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194687 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105194692 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105194698 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105194703 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105194708 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194739 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194744 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194747 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194752 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000105194757 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000105194763 KK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105194766 KK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105194771 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000105194778 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000105194783 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105194791 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105194797 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105194803 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105194808 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194814 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194821 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194827 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194833 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194842 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194848 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194853 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105194860 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194865 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194871 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194877 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194881 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194903 KK Annotated Anodyne COc1cc(-c2nc(NCC3CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105194911 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194925 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105194972 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105194995 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195022 KK Annotated Anodyne COc1cc(-c2nc(N3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195029 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195086 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195089 KK Annotated Anodyne COc1cc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195109 KK Annotated Anodyne COc1cc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195113 KK Annotated Anodyne COc1cc(-c2nc(N3CCN(C(C)=O)CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195192 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195238 KK Annotated Anodyne COc1cc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195244 KK Annotated Anodyne COc1cc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195310 KK Annotated Anodyne COc1cc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195316 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195353 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195357 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195362 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195369 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195374 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195378 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195385 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195389 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195394 KK Annotated Anodyne COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195421 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195440 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195446 KK Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195450 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1OC ZINC000105195456 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195463 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195492 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000105195496 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195505 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105195516 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000105195520 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195532 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195543 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105195551 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1 ZINC000105195556 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195568 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OCC)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195582 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000105195601 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000105195607 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000105195619 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195624 KK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105195634 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000105195640 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195667 KK Annotated Anodyne COc1cc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000105195685 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105195698 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105195707 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105195714 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105195721 KK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000105195727 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105195734 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000105195738 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195744 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195774 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195780 KK Annotated Anodyne COc1cc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195786 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccccc3F)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105195793 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195813 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195826 KK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195858 KK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195864 KK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195873 KK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195879 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195916 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105195934 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195941 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195949 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105195956 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195964 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195979 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105195983 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105195988 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105195993 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105196010 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105196055 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105196066 KK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105196119 KK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105196125 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105196130 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105196137 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105196159 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105196168 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105196173 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105196184 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105196199 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105196206 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000105196230 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000105196251 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000105196261 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(C)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000105196271 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(C)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000105196284 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000105196291 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000105196298 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(C)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000105196303 KK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000105196336 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3cccc(C)c3)s2)c1 ZINC000105196357 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196369 KK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196425 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000105196720 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000105196726 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000105196734 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000105196741 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000105196747 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000105196751 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196762 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196768 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196774 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196778 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3cccc(C)c3)s2)c1 ZINC000105196824 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(Cl)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196831 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3cccc(C)c3)s2)c1 ZINC000105196854 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196864 KK Annotated Anodyne Cc1cccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105196908 KK Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197074 KK Annotated Anodyne Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197081 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3cccc(C)c3)s2)c1 ZINC000105197182 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3cccc(C)c3)s2)cc1 ZINC000105197188 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)c1OC ZINC000105197194 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc(C)c3)n2)c1 ZINC000105197213 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)c1 ZINC000105197228 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000105197246 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3cccc(C)c3)s2)cc1 ZINC000105197251 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000105197257 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000105197278 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000105197286 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3cccc(C)c3)s2)c1 ZINC000105197303 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3cccc(C)c3)s2)cc1 ZINC000105197309 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197314 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3cccc(C)c3)s2)c1 ZINC000105197330 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3cccc(C)c3)s2)cc1 ZINC000105197337 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197343 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3cccc(C)c3)s2)c1 ZINC000105197367 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3cccc(C)c3)s2)cc1 ZINC000105197378 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)cc1OC ZINC000105197386 KK Annotated Anodyne Cc1cccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197414 KK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197437 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197513 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000105197537 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3cccc(C)c3)s2)c1 ZINC000105197626 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000105197633 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3cccc(C)c3)s2)c1 ZINC000105197647 KK Annotated Anodyne Cc1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000105197653 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000105197664 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000105197671 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000105197690 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197742 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105197787 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105197797 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197817 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105197822 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105197825 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197850 KK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)o1 ZINC000105197855 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105197892 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197945 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197950 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197953 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105197959 KK Annotated Bother C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105197970 KK Annotated Bother C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105197975 KK Annotated Bother C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105197982 KK Annotated Bother C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105197987 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198026 KK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000105198036 KK Annotated Bother Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000105198040 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000105198071 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000105198076 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105198123 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105198127 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198131 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198138 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198143 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198147 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198155 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198160 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198165 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198168 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105198175 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105198180 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105198185 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105198189 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198229 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198234 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198258 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198263 KK Annotated Bother CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105198268 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198308 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198315 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCOc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198321 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198369 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198373 KK Annotated Bother CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000105198439 KK Annotated Bother NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105198535 KK Annotated Bother NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105198541 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198594 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198598 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198603 KK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105198612 KK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105198617 KK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000105198622 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105198631 KK Annotated Bother CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000105198644 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105198651 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105198663 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198670 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198678 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000105198684 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198701 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198707 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3cccc(F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198716 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198741 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105198752 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198762 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198829 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198835 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198848 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCc3ccccc3F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198858 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198875 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105198923 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105198936 KK Annotated Bother Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105198945 KK Annotated Bother CC(=O)NCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105198963 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105199003 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105199009 KK Annotated Bother COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105199015 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105199031 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000105199037 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000105199044 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105199067 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105199073 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105199081 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000105199098 KK Annotated Bother Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000105199104 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccccc3F)s2)c1 ZINC000105199157 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccccc3F)s2)cc1 ZINC000105199165 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2ccccc2C(F)(F)F)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105199175 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccccc3F)s2)c1 ZINC000105199226 KK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1 ZINC000105199234 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3F)s2)c1 ZINC000105199610 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3F)s2)c1 ZINC000105199618 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccccc3F)s2)c1 ZINC000105199624 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3F)s2)c1 ZINC000105199628 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000105199640 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000105199646 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105199654 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105199660 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105199665 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105199674 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccccc3F)s2)c1 ZINC000105199721 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105199731 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccccc3F)s2)c1 ZINC000105199757 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1 ZINC000105199768 KK Annotated Anodyne Fc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105199838 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)CC1 ZINC000105199949 KK Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C1 ZINC000105200067 KK Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C1 ZINC000105200075 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccccc3F)s2)c1 ZINC000105200201 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccccc3F)s2)cc1 ZINC000105200212 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)c1OC ZINC000105200218 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3F)n2)c1 ZINC000105200235 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)c1 ZINC000105200245 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000105200262 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3ccccc3F)s2)cc1 ZINC000105200265 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000105200272 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3F)n2)cc1 ZINC000105200297 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1 ZINC000105200305 KK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000105200312 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2ccc(OC(F)(F)F)cc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000105200327 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccccc3F)s2)c1 ZINC000105200335 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccccc3F)s2)cc1 ZINC000105200343 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2ccc(OC(F)(F)F)cc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105200348 KK Annotated Anodyne Cc1oc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2F)nc1-c1ccccc1 ZINC000105200355 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2cccc(OC(F)(F)F)c2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000105200373 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3ccccc3F)s2)c1 ZINC000105200381 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2cccc(OC(F)(F)F)c2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105200393 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccccc3F)s2)c1 ZINC000105200425 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccccc3F)s2)cc1 ZINC000105200431 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1OC ZINC000105200438 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccccc3F)s2)c1 ZINC000105200462 KK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)c1 ZINC000105200472 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccccc3F)s2)c1 ZINC000105200492 KK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000105200501 KK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000105200586 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccccc3F)s2)c1 ZINC000105200605 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000105200615 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2cccc(C(F)(F)F)c2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105200655 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1 ZINC000105200680 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccccc3F)s2)c1 ZINC000105200742 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000105200751 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccccc3F)s2)c1 ZINC000105200770 KK Annotated Anodyne Fc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105200781 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3F)n2)cc1 ZINC000105200802 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1 ZINC000105200810 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)cc1 ZINC000105200838 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105200886 KK Annotated Anodyne FC(F)(F)c1ccccc1CNc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105200893 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105200912 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105200953 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105200956 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105200962 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105200987 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105200991 KK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105200996 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201019 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201044 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201050 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000105201055 KK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201076 KK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201081 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201104 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201171 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201176 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201181 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201186 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201190 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201195 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201200 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201204 KK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201209 KK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201215 KK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201221 KK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201225 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201248 KK Annotated Anodyne CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105201253 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201273 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1Cl ZINC000105201284 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105201291 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105201296 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105201303 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105201308 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105201337 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105201343 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105201352 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105201357 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105201389 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105201394 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105201397 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105201403 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201408 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201413 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201418 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201423 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201428 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201433 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201438 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@H]([C@@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201442 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105201447 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000105201452 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105201457 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000105201460 KK Annotated Anodyne Cc1oc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105201483 KK Annotated Anodyne Clc1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105201499 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201508 KK Annotated Anodyne Clc1cccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105201513 KK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105201518 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105201539 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201547 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201551 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105201557 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1Cl ZINC000105201587 KK Annotated Anodyne c1ccc(OCCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105201610 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1Cl ZINC000105201629 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201771 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1Cl ZINC000105201778 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@H](C(N)=O)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201820 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC[C@@H](C(N)=O)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201825 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201889 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201894 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201899 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201903 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201908 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105201913 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000105201920 KK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000105201923 KK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000105201927 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201948 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105201969 KK Annotated Anodyne CC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000105201977 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000105201981 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105201990 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000105201997 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000105202008 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202015 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202019 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202024 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202049 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202057 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202061 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000105202069 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000105202095 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000105202102 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202106 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202111 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202133 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202139 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202143 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202149 KK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000105202179 KK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000105202187 KK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202195 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202202 KK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202224 KK Annotated Anodyne CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000105202229 KK Annotated Anodyne Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000105202233 KK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202239 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105202249 KK Annotated Anodyne CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000105202270 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105202279 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000105202286 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202294 KK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202308 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202312 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202316 KK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000105202319 KK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202334 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202340 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202345 KK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202350 KK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202386 KK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202389 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202414 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCc4ccccc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1Cl ZINC000105202419 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202438 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202444 KK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202449 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202467 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202476 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202478 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202483 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105202500 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202547 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202551 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202555 KK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202598 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202606 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202620 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202626 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202633 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000105202637 KK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000105202644 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000105202652 KK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202664 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202672 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202677 KK Annotated Anodyne Clc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202683 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202688 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202704 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202710 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202715 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202720 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000105202736 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000105202739 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000105202745 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccccc3C)s2)c1 ZINC000105202787 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccccc3C)s2)cc1 ZINC000105202791 KK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(F)cc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105202844 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)c1 ZINC000105203141 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)c1 ZINC000105203148 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)c1 ZINC000105203155 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)c1 ZINC000105203161 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000105203168 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000105203177 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203191 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203197 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203204 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203211 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccccc3C)s2)c1 ZINC000105203255 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(Cl)c2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203267 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccccc3C)s2)c1 ZINC000105203289 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(C(C)(C)C)cc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203298 KK Annotated Anodyne Cc1ccccc1-c1nc(NCCOc2ccccc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203342 KK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@H](C(N)=O)C2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203514 KK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC[C@@H](C(N)=O)C2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203518 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccccc3C)s2)c1 ZINC000105203622 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccccc3C)s2)cc1 ZINC000105203629 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)c1OC ZINC000105203636 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3C)n2)c1 ZINC000105203658 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3ccccc3C)s2)cc1 ZINC000105203668 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)c1 ZINC000105203674 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000105203690 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3ccccc3C)s2)cc1 ZINC000105203696 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000105203703 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3C)n2)cc1 ZINC000105203719 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)cc1 ZINC000105203728 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3ccccc3C)s2)c1 ZINC000105203747 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(OC(F)(F)F)cc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203758 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3ccccc3C)s2)c1 ZINC000105203782 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(OC(F)(F)F)c4)nc3-c3ccccc3C)s2)cc1 ZINC000105203789 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(OC(F)(F)F)c2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203796 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccccc3C)s2)c1 ZINC000105203826 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccccc3C)s2)cc1 ZINC000105203833 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)cc1OC ZINC000105203838 KK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2cccc(F)c2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203867 KK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccccc2F)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203892 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2F)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105203959 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000105203977 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccccc3C)s2)c1 ZINC000105204051 KK Annotated Anodyne COc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000105204056 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccccc3C)s2)c1 ZINC000105204068 KK Annotated Anodyne Cc1ccccc1-c1nc(NCCc2ccc(Cl)cc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000105204077 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3C)n2)cc1 ZINC000105204092 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)cc1 ZINC000105204097 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)cc1 ZINC000105204123 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCN1CCCCC1 ZINC000105204370 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCc1ccccn1 ZINC000105204385 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@@H]1CCCN1C ZINC000105204398 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@H]1CCCN1C ZINC000105204405 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCCOC(=O)C(F)(F)F ZINC000105204426 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCCOC(=O)C(F)(F)F ZINC000105204698 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccccc4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105205168 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccccc4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105205181 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205186 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205197 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205202 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205207 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205211 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000105205215 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000105205241 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000105205480 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206029 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206062 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206065 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCN2CCCCC2)c1 ZINC000105206090 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCc2ccccn2)c1 ZINC000105206107 KK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206110 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206135 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206139 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206146 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000105206550 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21)C(F)(F)F ZINC000105206715 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000105206793 KK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000105206797 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105206803 KK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105206808 KK Annotated Anodyne COc1cc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105207079 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cc(Br)c(O)c(Br)c2)n3CCN2CCCCC2)cc1 ZINC000105207159 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000105207165 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cc(Br)c(O)c(Br)c2)n3CCc2ccccn2)cc1 ZINC000105207180 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000105207185 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cc(Br)c(O)c(Br)c2)n3CC[C@@H]2CCCN2C)cc1 ZINC000105207199 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cc(Br)c(O)c(Br)c2)n3CC[C@H]2CCCN2C)cc1 ZINC000105207204 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000105207211 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(C)cc3)ncnc21 ZINC000105207216 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cc(Br)c(O)c(Br)c2)n3CCCN2CCCC2=O)cc1 ZINC000105207222 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000105207264 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105207307 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000105207349 KK Annotated Clean Oc1c(Br)cc(-c2nc3c(NCC4CC4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105207552 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CCCN2CCCC2=O)cc1 ZINC000105207590 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000105207596 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105208080 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000105208212 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105208228 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208235 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000105208241 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000105208245 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105208250 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208257 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208269 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208274 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208280 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208283 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3CCN2CCCCC2)c1 ZINC000105208292 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3CCc2ccccn2)c1 ZINC000105208303 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208323 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000105208327 KK Annotated Mild O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000105208417 KK Annotated Clean Oc1c(Br)cc(-c2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105208579 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CCN2CCCCC2)c1 ZINC000105208585 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CCc2ccccn2)c1 ZINC000105208596 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208605 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208613 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000105208628 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000105208634 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000105208774 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105208827 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3cccc(F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105208830 KK Annotated Anodyne COc1cc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105209097 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000105209169 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209191 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105209207 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209214 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209225 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209231 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209235 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209238 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209265 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000105209271 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105209316 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000105209377 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000105209539 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000105209546 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCCCc5ccccc5)ncnc4n3CCc3ccccn3)o2)cc1 ZINC000105209563 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209571 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209576 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000105209585 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000105209593 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105209776 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105209779 KK Annotated Anodyne COc1cc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105210048 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCN1CCCCC1 ZINC000105210118 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000105210124 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCc1ccccn1 ZINC000105210139 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000105210146 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@@H]1CCCN1C ZINC000105210159 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@H]1CCCN1C ZINC000105210163 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000105210169 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3C)ncnc21 ZINC000105210173 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCN1CCCC1=O ZINC000105210178 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCCOC(=O)C(F)(F)F ZINC000105210212 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105210255 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000105210408 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCCOC(=O)C(F)(F)F ZINC000105210451 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105210933 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000105211027 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105211033 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211040 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCc2ccccn2)cc1Br ZINC000105211053 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211058 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211071 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211076 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211082 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211085 KK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCN1CCCCC1 ZINC000105211091 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000105211131 KK Annotated Mild O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000105211204 KK Annotated Clean Fc1ccccc1CCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCN1CCCCC1 ZINC000105211324 KK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCc1ccccn1 ZINC000105211331 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211337 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000105211343 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000105211356 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000105211485 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105211544 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccccc3F)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105211549 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000105212930 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000105212936 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3cccc(F)c3)ncnc21 ZINC000105213258 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000105213630 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105214042 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214047 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000105214053 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000105214060 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105214064 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214069 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214080 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214084 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214089 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214091 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105214180 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000105214217 KK Annotated Clean Clc1ccc(CNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CCN2CCCCC2)cc1 ZINC000105214328 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214346 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214350 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000105214360 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000105214366 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000105214511 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105214587 KK Annotated Anodyne C[C@H](Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105214591 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105214980 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105214986 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000105214991 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000105214996 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105215001 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215008 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215024 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215030 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215039 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215045 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215055 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000105215185 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215318 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(F)cc3)ncnc21 ZINC000105215323 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000105215339 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCN1CCCCC1 ZINC000105215914 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2C[C@@H]1CCCO1 ZINC000105215920 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2C[C@H]1CCCO1 ZINC000105215924 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCc1ccccn1 ZINC000105215927 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@@H]1CCCN1C ZINC000105215938 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@H]1CCCN1C ZINC000105215942 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCN1CCCC1=O ZINC000105215952 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCCOC(=O)C(F)(F)F ZINC000105215957 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCCOC(=O)C(F)(F)F ZINC000105216207 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105216595 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000105216726 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105216736 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216746 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000105216754 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000105216761 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105216768 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216773 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216786 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216791 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216796 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105216801 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000105216913 KK Annotated Clean Oc1c(Br)cc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000105217029 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105217050 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105217054 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000105217063 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000105217067 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000105217178 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217243 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217247 KK Annotated Anodyne COc1cc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105217566 KK Annotated Anodyne COc1cc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105217569 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217677 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217680 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCN1CCCCC1)c1ccccc1 ZINC000105217690 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCN1CCCCC1)c1ccccc1 ZINC000105217695 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCc1ccccn1)c1ccccc1 ZINC000105217726 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCc1ccccn1)c1ccccc1 ZINC000105217727 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000105217731 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000105217732 KK Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000105217736 KK Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000105217738 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105217741 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105217745 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000105217748 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000105217751 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000105217754 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000105217757 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000105217761 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000105217763 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000105217812 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000105217817 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217821 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217825 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105217874 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105217877 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217938 KK Annotated Clean C[C@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105217945 KK Annotated Clean Oc1c(Br)cc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105218207 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCN1CCCCC1)c1ccccc1 ZINC000105218212 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCN1CCCCC1)c1ccccc1 ZINC000105218217 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCc1ccccn1)c1ccccc1 ZINC000105218232 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCc1ccccn1)c1ccccc1 ZINC000105218235 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105218246 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105218250 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000105218255 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000105218260 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000105218272 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000105218280 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105218285 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105218290 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105218682 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105218688 KK Annotated Anodyne C[C@@H](Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105218694 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105218699 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105219078 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCN2CCCCC2)ccc1O ZINC000105219083 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)ccc1O ZINC000105219089 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@H]2CCCN2C)ccc1O ZINC000105219096 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@@H]2CCCN2C)ccc1O ZINC000105219099 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105219111 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219142 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219191 KK Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219199 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)c1 ZINC000105219203 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)c1 ZINC000105219208 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)c1 ZINC000105219212 KK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219215 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219222 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219226 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219232 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219235 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)cc1 ZINC000105219249 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)cc1 ZINC000105219253 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)cc1 ZINC000105219260 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000105219273 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000105219278 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105219289 KK Annotated Anodyne Clc1ccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@@H]2CCCO2)c(Cl)c1 ZINC000105219309 KK Annotated Clean Clc1ccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3C[C@H]2CCCO2)c(Cl)c1 ZINC000105219313 KK Annotated Clean Clc1ccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)c(Cl)c1 ZINC000105219318 KK Annotated Clean O=C(OCCCCn1c(-c2cccnc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219418 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219474 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219539 KK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219590 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000105219595 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000105219598 KK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219611 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCCc5ccc(Cl)cc5Cl)ncnc4n3C[C@@H]3CCCO3)o2)cc1 ZINC000105219616 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCCc5ccc(Cl)cc5Cl)ncnc4n3C[C@H]3CCCO3)o2)cc1 ZINC000105219619 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCCc5ccc(Cl)cc5Cl)ncnc4n3CCc3ccccn3)o2)cc1 ZINC000105219626 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219630 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219637 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219643 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219649 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219653 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000105219656 KK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000105219704 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219746 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000105219811 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000105219817 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000105219820 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000105219830 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000105219833 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105219842 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105219846 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000105219851 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000105219856 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105219884 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105219888 KK Annotated Anodyne CCC(CC)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000105219955 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220021 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105220049 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCN2CCCCC2)ccc1O ZINC000105220055 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)ccc1O ZINC000105220062 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)ccc1O ZINC000105220080 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220106 KK Annotated Anodyne Clc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)cc1 ZINC000105220116 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220122 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220125 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220139 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000105220142 KK Annotated Anodyne COCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220146 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCN2CCCCC2)c1 ZINC000105220151 KK Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220155 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2C[C@@H]2CCCO2)c1 ZINC000105220157 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2C[C@H]2CCCO2)c1 ZINC000105220159 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)c1 ZINC000105220163 KK Annotated Anodyne CCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220168 KK Annotated Anodyne CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220173 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220177 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220179 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220184 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220188 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCN2CCCCC2)cc1 ZINC000105220199 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)cc1 ZINC000105220215 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105220239 KK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCN1CCCCC1 ZINC000105220245 KK Annotated Clean Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1 ZINC000105220263 KK Annotated Clean CC(=O)NCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220272 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220276 KK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220279 KK Annotated Clean O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220292 KK Annotated Clean O=C(OCCCCn1c(-c2cccnc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220319 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccoc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220346 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220371 KK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220399 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCCc5c(Cl)cccc5Cl)ncnc4n3CCN3CCCCC3)o2)cc1 ZINC000105220404 KK Annotated Anodyne COCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220406 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nc4c(NCCc5c(Cl)cccc5Cl)ncnc4n3CCc3ccccn3)o2)cc1 ZINC000105220421 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220426 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220432 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220436 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220440 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220444 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000105220448 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000105220458 KK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000105220482 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000105220489 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220520 KK Annotated Anodyne CC(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000105220557 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000105220592 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000105220603 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCN1CCCCC1)c1ccccc1 ZINC000105220608 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000105220621 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCc1ccccn1)c1ccccc1 ZINC000105220625 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105220632 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@@H]1CCCN1C)c1ccccc1 ZINC000105220635 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000105220640 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CC[C@H]1CCCN1C)c1ccccc1 ZINC000105220643 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105220662 KK Annotated Anodyne C[C@H](Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000105220663 KK Annotated Anodyne CCC(CC)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000105220745 KK Annotated Anodyne CC(C)(C)Cc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000105220809 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000105220934 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000105220937 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4cccs4)ncnc3n2CCc2ccccn2)cc1Br ZINC000105220941 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccs3)ncnc21 ZINC000105220952 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccs3)ncnc21 ZINC000105220954 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccs3)ncnc21 ZINC000105220969 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000105221002 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000105221076 KK Annotated Clean O=C(OCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000105221281 KK Annotated Clean O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000105221358 KK Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2Cc1ccccc1F)C(N)=O ZINC000105221464 KK Annotated Mild NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1F ZINC000105221476 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccccc1F ZINC000105221504 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccccc2F)c(C)c1 ZINC000105221508 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2CCc1ccccc1F ZINC000105221626 KK Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2CCc2ccccc2F)cc1 ZINC000105221638 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2CCc1ccccc1F ZINC000105221648 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2CCc2ccccc2F)c(C)c1 ZINC000105221652 KK Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1C(F)(F)F)C(N)=O ZINC000105221712 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c(C)c1 ZINC000105221753 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1Cl ZINC000105221758 KK Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1 ZINC000105221773 KK Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c1 ZINC000105221778 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c(C)c1 ZINC000105221783 KK Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1C(F)(F)F ZINC000105221792 KK Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccccc1C(F)(F)F ZINC000105221808 KK Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2Cc1ccccc1C(F)(F)F ZINC000105221814 KK Annotated Mild Cc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1Cl ZINC000105221818 KK Annotated Anodyne NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1cccc(Cl)c1 ZINC000105221825 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1cccc(Cl)c1 ZINC000105221921 KK Annotated Anodyne CC(=O)c1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2cccc(Cl)c2)cc1 ZINC000105221933 KK Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2cccc(Cl)c2)c1 ZINC000105221945 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1cccc(Cl)c1 ZINC000105221950 KK Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2Cc1cccc(Cl)c1 ZINC000105221970 KK Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccc(Cl)cc1)C(N)=O ZINC000105222010 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccc(Cl)cc1 ZINC000105222047 KK Annotated Anodyne CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(Cl)cc2)cc1 ZINC000105222063 KK Annotated Anodyne CC(=O)c1cccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(Cl)cc2)c1 ZINC000105222074 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccc(Cl)cc1 ZINC000105222079 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(Cl)cc2)c(C)c1 ZINC000105222082 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccc(F)cc1 ZINC000105222187 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccc(F)cc1 ZINC000105222215 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(F)cc2)c(C)c1 ZINC000105222219 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(F)cc2)cc1Cl ZINC000105222222 KK Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2CCc1cccc(F)c1)C(N)=O ZINC000105222321 KK Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2CCc1cccc(F)c1)C(N)=O ZINC000105222336 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc3n2CCc2cccc(F)c2)cc1Cl ZINC000105222348 KK Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2CCCc1ccccc1)C(N)=O ZINC000105222404 KK Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2Cc1ccccc1Cl)C(N)=O ZINC000105222779 KK Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1Cl)C(N)=O ZINC000105222834 KK Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1Cl ZINC000105222885 KK Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1ccccc1Cl ZINC000105222890 KK Annotated Anodyne NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccccc1Cl ZINC000105222907 KK Annotated Anodyne COc1ccccc1Nc1nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc2n1Cc1cccc2ccccc12 ZINC000105223063 KK Annotated Anodyne NC(=O)c1cccc(CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2Br)n3Cc2cccc3ccccc23)c1 ZINC000105223083 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2)n3Cc2cccc3ccccc23)CC1 ZINC000105223103 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2cccc4ccccc24)n3Cc2cccc3ccccc23)CC1 ZINC000105223107 KK Annotated Anodyne Cc1ccccc1Nc1nc2cc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)ccc2n1Cc1cccc2ccccc12 ZINC000105223112 KK Annotated Anodyne Cc1cccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2Cc2cccc3ccccc23)c1 ZINC000105223116 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2Cc2cccc3ccccc23)cc1 ZINC000105223123 KK Annotated Anodyne COc1ccccc1Nc1nc2cc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)ccc2n1Cc1cccc2ccccc12 ZINC000105223129 KK Annotated Anodyne COc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2Cc2cccc3ccccc23)cc1 ZINC000105223136 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccc(F)cc2)n3Cc2cccc3ccccc23)CC1 ZINC000105223145 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2Cl)n3Cc2cccc3ccccc23)CC1 ZINC000105223151 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2Br)n3Cc2cccc3ccccc23)CC1 ZINC000105223156 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2cccc(Br)c2)n3Cc2cccc3ccccc23)CC1 ZINC000105223160 KK Annotated Anodyne NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(Br)c1)n2Cc1cccc2ccccc12 ZINC000105223214 KK Annotated Anodyne CC(C)n1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(=O)N[C@@H](CC3CCCCC3)C(N)=O)ccc21 ZINC000105223399 KK Annotated Anodyne CC(C)Cn1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)ccc21 ZINC000105223465 KK Annotated Anodyne CC(C)Cn1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(=O)N[C@@H](CC3CCCCC3)C(N)=O)ccc21 ZINC000105223505 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CCCCN)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1C ZINC000105223567 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(Cl)cc2)cc1C ZINC000105223608 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2cccc(Cl)c2)cc1C ZINC000105223724 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccc(F)cc2)cc1C ZINC000105223729 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224487 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(Br)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224493 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224513 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224518 KK Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)Nc2nc(-c3ccc(Cl)c(Cl)c3Cl)cs2)CC1 ZINC000105224577 KK Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@H](CCSC)Nc2nc(-c3cc(F)c(Cl)cc3Cl)cs2)CC1 ZINC000105224581 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000105224594 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000105224598 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000105224651 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000105224656 KK Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(Cl)c(Cl)c3Cl)cs2)CC1 ZINC000105224725 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224779 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224783 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224789 KK Annotated Bother CSCC[C@H](Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105224794 KK Annotated Bother COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000105224799 KK Annotated Bother COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000105224896 KK Annotated Bother COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000105225364 KK Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000105225370 KK Annotated Anodyne COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1OC ZINC000105225376 KK Annotated Anodyne COc1cc(-c2csc(N[C@@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc(OC)c1OC ZINC000105225382 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105225388 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105225403 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000105225707 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000105225711 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Br)cc2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105225891 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cccc(Br)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105225894 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105225912 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105225918 KK Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H](CCSC)Nc2nc(-c3ccc(Cl)c(Cl)c3Cl)cs2)CC1 ZINC000105225977 KK Annotated Anodyne CCOC(=O)N1CCC(NC(=O)[C@@H](CCSC)Nc2nc(-c3cc(F)c(Cl)cc3Cl)cs2)CC1 ZINC000105225982 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000105225993 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000105225999 KK Annotated Anodyne CCCC[C@H](Nc1nc(-c2ccc(OC)cc2OC)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105226028 KK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)ccc2OC)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105226033 KK Annotated Anodyne CCCC[C@H](Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105226044 KK Annotated Anodyne COc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000105226286 KK Annotated Anodyne COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000105226292 KK Annotated Anodyne COc1ccc(OC)c(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000105226298 KK Annotated Anodyne COc1ccc(OC)c(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000105226303 KK Annotated Anodyne COc1ccc(-c2csc(N[C@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c(OC)c1 ZINC000105226550 KK Annotated Anodyne COc1ccc(OC)c(-c2csc(N[C@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)c1 ZINC000105226553 KK Annotated Anodyne COc1ccc(-c2csc(N[C@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1OC ZINC000105226557 KK Annotated Anodyne COc1cc(-c2csc(N[C@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc(OC)c1OC ZINC000105226561 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc(O)cc(O)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105226569 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2cc3ccccc3o2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105226582 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105227422 KK Annotated Bother CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCCC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000105227427 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105227434 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1 ZINC000105227525 KK Annotated Bother CSCC[C@@H](Nc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105227536 KK Annotated Bother CSCC[C@@H](Nc1nc(-c2ccc(Cl)s2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000105227541 KK Annotated Anodyne O=C(Cn1nc(-c2ccco2)c2c3c(c(O)nc21)CN(C(=O)c1ccc2ccccc2c1)CC3)NCc1ccccc1 ZINC000105228782 KK Annotated Anodyne O=C(Cn1nc(-c2ccccc2)c2c3c(c(O)nc21)CN(C(=O)c1ccc2ccccc2c1)CC3)NCc1ccco1 ZINC000105228920 KK Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000105235845 KK Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000105235887 KK Annotated Anodyne CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000105235981 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000105236073 KK Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000105236153 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000105236182 KK Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000105236185 KK Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](Cc2ccccc2)N3)c1 ZINC000105236191 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000105236207 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](Cc1ccccc1)N2 ZINC000105236221 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](Cc2ccccc2)N3)cc1 ZINC000105236322 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000105236333 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000105236541 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000105236671 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000105236707 KK Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000105236839 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H]1CCCC[C@H]1N2 ZINC000105236895 KK Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000105237013 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000105237024 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000105237052 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000105237147 KK Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000105237181 KK Annotated Anodyne O=C(O)c1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000105237318 KK Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000105237539 KK Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000105237543 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000105237592 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000105237788 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000105237830 KK Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000105237860 KK Annotated Anodyne COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)C[C@H](CC2CCCCC2)N3)cc1 ZINC000105238076 KK Annotated Anodyne CC[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000105238602 KK Annotated Anodyne CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 ZINC000105238606 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000105239333 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000105239336 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000105239817 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000105239823 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000105239964 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000105239966 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000105239985 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000105239990 KK Annotated Anodyne O=C(CCc1cccnc1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000105241014 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000105241331 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000105254056 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 ZINC000105254061 KK Annotated Mild CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2cc(c(cc2CCN1C)O3)O4 ZINC000105298999 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1c(OC)c2cc(Br)ccc2c2ccc(Br)cc12 ZINC000105353964 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1c(OC)c2cc(Br)ccc2c2ccc(Br)cc12 ZINC000105353967 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1c(OC)c2cc(Cl)ccc2c2ccc(Cl)cc12 ZINC000105353975 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1c(OC)c2cc(Cl)ccc2c2ccc(Cl)cc12 ZINC000105353978 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(O)c4c(c31)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000105368616 KK Annotated Anodyne COC1=CC2=C3[C@@H](Cc4cc5c(c(c4)Oc4ccc(cc4)C[C@H]4c6cc7c(cc6CCN4C)OC[C@@]3(O7)C1=O)OCO5)N(C)CC2 ZINC000105481677 KK Annotated Mild COc1cc(Br)c(C[C@]2(C#N)c3ccccc3[C@@H]3[C@@H](N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC ZINC000105482850 KK Annotated Mild COc1cc(Br)c(C[C@@]2(C#N)c3ccccc3[C@@H]3[C@@H](N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC ZINC000105482853 KK Annotated Mild CN1[C@@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000105483225 KK Annotated Anodyne CN1[C@@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000105483229 KK Annotated Anodyne CN1[C@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000105483233 KK Annotated Anodyne CN1[C@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000105483237 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@]3(C(/C=C/c4ccccc4)=Nc4ccccc43)[C@H]2c2ccccc2)cc1 ZINC000105483255 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@]3(C(/C=C/c4ccccc4)=Nc4ccccc43)[C@H]2c2ccccc2)cc1 ZINC000105483261 KK Annotated Anodyne CCOC(=O)[C@]12CN(C34CC5CC(CC(C5)C3)C4)C[C@](C(=O)OCC)(C1=O)[C@H](c1ccccc1)O[C@H]2c1ccccc1 ZINC000105484959 KK Annotated Anodyne CCOC(=O)[C@]12CN(C34CC5CC(CC(C5)C3)C4)C[C@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000105484965 KK Annotated Anodyne CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(cc2CCN1C)O3)O4 ZINC000105485377 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3)O4 ZINC000105487699 KK Annotated Anodyne COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@H](Cc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000105488089 KK Annotated Bother COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@@H](Cc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000105488092 KK Annotated Bother CS[C@@H]([C@@H]1c2ccccc2N(c2ccc(C)cc2)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000105497713 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@H]1[C@H]2O ZINC000105497834 KK Annotated Reactive CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000105504803 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000105504808 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000105504813 KK Annotated Anodyne CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)C[C@@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000105505798 KK Annotated Mild CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)C[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000105505804 KK Annotated Mild CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000105505807 KK Annotated Mild CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000105505810 KK Annotated Mild CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)C[C@@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000105505815 KK Annotated Mild CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@H]2C1 ZINC000105505873 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3[C@@H]2C1 ZINC000105505880 KK Annotated Anodyne O=C([C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000105506409 KK Annotated Anodyne O=C([C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000105506412 KK Annotated Anodyne O=C([C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000105506415 KK Annotated Anodyne CC(=O)ON(C(C)=O)[C@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]2OC3(CCCC3)O[C@H]12 ZINC000105507193 KK Annotated Mild CC(=O)ON(C(C)=O)[C@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]2OC3(CCCC3)O[C@H]12 ZINC000105507195 KK Annotated Mild CC(=O)ON(C(C)=O)[C@@H]1[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]2OC3(CCCC3)O[C@@H]21 ZINC000105507197 KK Annotated Mild CC(=O)ON(C(C)=O)[C@@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@@H]2OC3(CCCC3)O[C@@H]21 ZINC000105507198 KK Annotated Mild CC(C)C(=O)C[C@H](c1ccc(Br)cc1)N1N=C(C(C)C)C[C@H]1c1ccc(Br)cc1 ZINC000105508435 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(Br)cc45)[C@@H]3C2=O)cc1 ZINC000105515700 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(Br)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000105515707 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc(OCc6ccccc6)cc45)[C@@H]3C2=O)cc1 ZINC000105515714 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(OCc5ccccc5)cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000105515721 KK Annotated Anodyne CC(C)(C)NC(=O)CC[C@H]1[C@H](C(=O)NC(C)(C)C)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000105517113 KK Annotated Anodyne COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3C[C@@H](C(C)(C)C)CC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C1=O ZINC000105521791 KK Annotated Bother COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C1=O)c1[nH]c3ccccc3c1[C@H]1CC[C@H](C(C)(C)C)C[C@H]12 ZINC000105521795 KK Annotated Bother CCCCCCCCCCCCCCCCO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)C[C@@H]1O ZINC000105522138 KK Annotated Mild CCCCCCCCCCCCCCCCO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)C[C@H]1O ZINC000105522141 KK Annotated Mild CC(=O)O[C@H]1CO[C@@H](n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000105524768 KK Annotated Mild CN(C)c1cccc2c1C(=O)C=C[C@]21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000105525409 KK Annotated Mild O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000105530073 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000105530077 KK Annotated Anodyne O=C1CC(C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000105530092 KK Annotated Anodyne O=C1CC(C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000105530095 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@]2(C[C@H](O)[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\OC[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000105556264 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c1cc(O)c(Cl)c3O)c1c(Cl)c(O)c(Cl)c(O)c1C2=O ZINC000105558784 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)CCC(C)C)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000105569294 KK Annotated Anodyne CCC[C@@H]1OC(=O)/C(C)=C/[C@H](C)CCCCCCCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000105569328 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C2/CC[C@H](O[C@@H]2OC)[C@H](O)C[C@H](O)CNC1=O ZINC000105569372 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C2/CC[C@H](O[C@@H]2OC)[C@H](O)C[C@H](O)CNC1=O ZINC000105569384 KK Annotated Anodyne CC(C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C(=O)C(C)C)c(O)c3c2OC(C)(C)[C@H]2CC(C)(C)C[C@@H]32)C1=O ZINC000105576535 KK Annotated Mild COC1=C(CC=C(C)C)C(=O)[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)c1ccccc1)C[C@H](CC=C(C)C)C2(C)C ZINC000105577215 KK Annotated Mild CC(C)=CC[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000105577537 KK Annotated Anodyne O[C@H]1[C@@H]2[C@@H]3CCN4CCCC/C=C\CC[C@@]1(O)[C@@H]1N(CCCC/C=C\CC[C@]31C4)CN1CCc3c([nH]c4ccccc34)[C@@H]21 ZINC000105578478 KK Annotated Anodyne C=C1C[C@H](OC)CCCCC/C2=C\C(=O)O[C@H](/C=C(/C)CC(=O)O[C@@H](/C=C\CC)[C@@H](C)[C@H](O)C(=O)N2)C/C(C)=C/C=C/1C ZINC000105579486 KK Annotated Mild CS/C(=N/S(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1)N1CCCC1 ZINC000106172924 KK Annotated Mild in-vitro CNc1c(Br)cc2oc(C[C@@H]3O[C@]4(CC[C@@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@@H]4C)nc2c1C(=O)O ZINC000106359976 KK Annotated Anodyne CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc32)C(=O)C1 ZINC000106532675 KK Annotated Mild CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc32)C(=O)C1 ZINC000106532678 KK Annotated Mild C=C(C)[C@@H](CCC=C(C)C)[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000107979044 KK Annotated Mild C=C(C)[C@@H](CCC=C(C)C)[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000107979048 KK Annotated Mild O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000108080661 KK Annotated Mild O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCC34CC5CC(CC(C5)C3)C4)/C(=N/c3ccc(Cl)cc3)S2)cc1 ZINC000108080666 KK Annotated Mild C=C(C)[C@H](CCC=C(C)C)[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000108624681 KK Annotated Mild O=C1C=C(c2cc(Br)c(O)c(Br)c2)/C(=C\c2cc(Br)c(O)c(Br)c2)O1 ZINC000109062334 KK Annotated Anodyne Brc1ccc(C(/N=N\C(=N/Sc2ccccc2)c2ccc(Br)cc2)=N/Sc2ccccc2)cc1 ZINC000109905446 KK Annotated Mild C/C=C1C(=C\c2[nH]c(/C=C3\N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@H]\1C ZINC000110078245 KK Annotated Anodyne C/C=C1C(=C\c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@H]\1C ZINC000110078250 KK Annotated Anodyne C/C=C1C(=C\c2[nH]c(/C=C3/N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@H]\1C ZINC000110078254 KK Annotated Anodyne C/C=C1C(=C\c2[nH]c(/C=C3/N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@H]\1C ZINC000110078258 KK Annotated Anodyne C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Nc4c5ccccc5[n+](C)c5ccc(N)cc45)cc3)cc2)c1 ZINC000111374534 KK Annotated Clean C=C(C)CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C ZINC000111402781 KK Annotated Mild C=C(C)CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C ZINC000111402784 KK Annotated Mild C=C(C)CC[C@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C ZINC000111402789 KK Annotated Mild CCCCN(CCCC)CCNc1ccc(NCCN(CCCC)CCCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O ZINC000111469330 KK Annotated Clean COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C ZINC000111955945 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3c(cc5c(c3OC)C(=NCC5)C2)O4)CCN1C ZINC000111958297 KK Annotated Anodyne COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(\C)CC/C=C(/C)C3)cc3c(c12)OCO3 ZINC000111960811 KK Annotated Reactive COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(/C)CC/C=C(/C)C3)cc3c(c12)OCO3 ZINC000111960815 KK Annotated Reactive COc1cc(OC)c(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C(=C/c3ccccc3)NC(=O)c3ccccc3)cc2)cc1Cl ZINC000112086505 KK Annotated Anodyne in-vitro COc1cc(OC)c(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C(=C/c3ccccc3)NC(=O)c3ccccc3)cc2)cc1Cl ZINC000112086507 KK Annotated Anodyne in-vitro c1cc(C(c2ccc(OC[C@@H]3CO3)cc2)C(c2ccc(OC[C@H]3CO3)cc2)c2ccc(OC[C@H]3CO3)cc2)ccc1OC[C@@H]1CO1 ZINC000112974052 KK Annotated Anodyne CC(=O)CCCC(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@H]1C(C)=CCCC1(C)C ZINC000112983356 KK 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@@]1(C)C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000112986564 KK Annotated Anodyne CCCCN1/C(=C/C=C/c2sc3c4ccccc4ccc3[n+]2CCCC)Sc2c1ccc1ccccc21 ZINC000113050534 KK Annotated Anodyne Cc1nc2sc3c(c2c(-c2ccc4c5c(ccnc25)CCO4)c1[C@@H](OC(C)(C)C)C(=O)O)CCCC3 ZINC000113123830 KK Annotated Anodyne Cc1nc2sc3c(c2c(-c2ccc4c5c(ccnc25)CCO4)c1[C@H](OC(C)(C)C)C(=O)O)CCCC3 ZINC000113123833 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000113144616 KK Annotated Anodyne COC(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)CC/C=C(\C)CCC=C(C)C ZINC000113154653 KK Annotated Anodyne CC1(c2ccc(CN(c3ncc(C(F)(F)F)cc3Cl)S(=O)(=O)c3ccc(C(=O)O)cc3)cc2)CC1 ZINC000113157229 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000113189197 KK Annotated Mild Cc1cc(-c2cc(C(N)=O)c3[nH]c4cc(C5CCN(C(=O)OC(C)(C)C)CC5)ccc4c3c2)ccc1CN1CCOCC1 ZINC000113262047 KK Annotated Anodyne C=CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Cc1cc(C)cc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1 ZINC000113337698 KK Annotated Mild CCCCn1/c(=N/C(=O)c2cc(C(F)(F)F)ccc2O/N=C(\C)C(F)(F)F)cc(C(C)(C)C)n1C ZINC000113477017 KK Annotated Mild CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@@H]1CCCCO1 ZINC000113477135 KK Annotated Anodyne CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1C[C@H]1CCCCO1 ZINC000113477137 KK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\N)c1ccc(F)cc1 ZINC000113477140 KK Annotated Mild Cn1c(C(C)(C)C)c/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ONC(C)(C)C)n1CCC(F)(F)F ZINC000113477255 KK Annotated Anodyne CC(C)(C)NOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)nn1CCCC(F)(F)F ZINC000113477686 KK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)C(C)(C)C ZINC000113477786 KK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C(\C)C(F)(F)F ZINC000113479034 KK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1O/N=C1/CCCCCN1 ZINC000113479110 KK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNCc1ccccc1 ZINC000113480253 KK Annotated Anodyne C/C(=N\Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\cc(C(C)(C)C)n(C)n1C[C@H]1CCCO1)C(F)(F)F ZINC000113480457 KK Annotated Mild NC1(c2ccc(-c3nc4nc(OCCN5C(=O)c6ccccc6C5=O)ccn4c3-c3ccccc3)cc2)CCC1 ZINC000113655553 KK Annotated Anodyne O=C(O)C[C@@H]1CC[C@@H](c2ccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccc(F)cc3C(F)(F)F)cc2)CC1 ZINC000113756404 KK Annotated Anodyne Cc1cc(C(=O)NCCCCCc2ccccc2)c2ccc(-c3ccc([C@@H]4CC[C@@H](CC(=O)O)CC4)cc3)cc2n1 ZINC000113758733 KK Annotated Anodyne CC(C)CCN1[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)O)c2)CCC[C@H]1C(F)(F)F ZINC000113915823 KK Annotated Anodyne CC(C)CCN1[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@H](CC(C)C)C(=O)O)c2)CCC[C@@H]1C(F)(F)F ZINC000113915827 KK Annotated Anodyne CC(C)c1nnn(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000113968279 KK Annotated Anodyne COC(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)\C=C\C=C(/C)CCCC(C)(C)O ZINC000113979877 KK Annotated Anodyne COC(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)\C=C\C=C(C)\C=C/CC(C)(C)OC ZINC000113979880 KK Annotated Anodyne C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c(O)c2c1oc1c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000113981486 KK Annotated Mild NC1(c2ccc(-c3nn4c(-c5ccc(F)cc5)c(Br)nc4cc3-c3ccccc3)cc2)CCC1 ZINC000114037580 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2CCN3C)C1 ZINC000114097106 KK Annotated Anodyne Cc1cccc(CN2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114097427 KK Annotated Anodyne Cc1cccc(CN2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1C ZINC000114097430 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1cc2c(cc1Cl)OCO2 ZINC000114097506 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1cc2c(cc1Cl)OCO2 ZINC000114097507 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3ccn(C)c23)C1 ZINC000114097526 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2C(F)(F)F)C1 ZINC000114097624 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC000114097672 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2CCN3)C1 ZINC000114098014 KK Annotated Anodyne COc1cc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000114098355 KK Annotated Anodyne C[C@H]1CCCC(C)(C)[C@@H]1CC[C@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000114098714 KK Annotated Bother in-man C[C@H]1CCCC(C)(C)[C@H]1CC[C@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000114098717 KK Annotated Bother in-man CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H](C)CNCc1ccccc1C(F)(F)F ZINC000114098808 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H](C)CNCc1ccccc1C(F)(F)F ZINC000114098810 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1 ZINC000114098956 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2OC(F)(F)F)C1 ZINC000114099032 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CN(Cc2cccc3[nH]ccc23)CCO1 ZINC000114099113 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CN(Cc2cccc3[nH]ccc23)CCO1 ZINC000114099115 KK Annotated Anodyne CCOc1ccccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099117 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2N(C)CC3)C1 ZINC000114099134 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2ccn3C)C1 ZINC000114099217 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3cc[nH]c23)C1 ZINC000114099274 KK Annotated Anodyne Cc1ccc(C)c(CN2CCO[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099287 KK Annotated Anodyne Cc1ccc(C)c(CN2CCO[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099289 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3ccn(C)c23)C1 ZINC000114099291 KK Annotated Anodyne CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000114099414 KK Annotated Anodyne CC(C)CN(Cc1cc(Br)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000114099415 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2ccn3C)C1 ZINC000114099581 KK Annotated Anodyne COc1cccc(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114099584 KK Annotated Anodyne COc1ccc(C)cc1CN1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099586 KK Annotated Anodyne COc1ccc(C)cc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099604 KK Annotated Anodyne COc1cccc(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000114099621 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2ccn3C)C1 ZINC000114099734 KK Annotated Anodyne COc1c(C)cccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114099840 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3ccn(C)c23)C1 ZINC000114099872 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000114100111 KK Annotated Anodyne COc1cc(F)ccc1CN1CCC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100118 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000114100167 KK Annotated Anodyne COc1ccc(OC)c(CN2CC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114100214 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2ccn3C)C1 ZINC000114100300 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2OCC3)C1 ZINC000114100312 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2CCN3C)C1 ZINC000114100318 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC000114100343 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CN(Cc2cccc3c2ccn3C)CCO1 ZINC000114100346 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC000114100395 KK Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3ccn(C)c23)C1 ZINC000114100404 KK Annotated Anodyne COc1cc(F)ccc1CN1CC[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100444 KK Annotated Anodyne COc1ccccc1CN1CCS[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100676 KK Annotated Anodyne COc1ccccc1CN1CCS[C@@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000114100678 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2CCN3)C1 ZINC000114100714 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000114100750 KK Annotated Bother CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2N(C)CC3)C1 ZINC000114101018 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3cc[nH]c23)C1 ZINC000114101034 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1 ZINC000114101083 KK Annotated Anodyne CC(=O)Oc1cccc(CN2CCC[C@@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000114101159 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CN(Cc2cccc3ccn(C)c23)CCO1 ZINC000114101239 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CN(Cc2cccc3ccn(C)c23)CCO1 ZINC000114101241 KK Annotated Anodyne Cc1cc(F)c(C(=O)N[C@H]2C/C=C/CCC(=O)Nc3cc(NC(=O)OCCN(C)C)ccc3-c3nc2[nH]c3Cl)c(F)c1 ZINC000114230251 KK Annotated Anodyne CC1=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\CC(C)(C)O)C(C)(C)C[C@H](O)C1=O ZINC000114251689 KK Annotated Mild O=C(NC1CCN(C2CCC(F)(F)CC2)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000114328474 KK Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000114344368 KK Annotated Anodyne C[C@H](Nc1ncnc2c(C(N)=O)cc(OCc3ccccc3)cc12)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000114344370 KK Annotated Anodyne C=CCN(C)CC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114345171 KK Annotated Mild C=CCN(C)CC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000114345173 KK Annotated Mild NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114347516 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)cc4F)c3)ncnc12 ZINC000114347520 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CCN3CCCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114348680 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CCN3CCCCC3)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000114348682 KK Annotated Anodyne C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1ccc(F)c(NC(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000114348716 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12 ZINC000114348798 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(NC(=O)c4c(F)cccc4F)c3)ncnc12 ZINC000114348801 KK Annotated Anodyne CCOc1ccc(-c2ccc(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000114355100 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cc(OC(F)(F)F)ccc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000114355330 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 ZINC000114356279 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4c(-c5cc(F)c(F)cc5F)nn(-c5ccccc5)c4Cl)CC3)OC2=O)cc1 ZINC000114356499 KK Annotated Anodyne CC1(C)[C@@H](n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)[C@H]2CC[C@@H]1C2 ZINC000114358200 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000114358203 KK Annotated Anodyne CC1(C)[C@@H](n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)[C@@H]2CC[C@@H]1C2 ZINC000114358206 KK Annotated Anodyne CC1(C)[C@H]2CC[C@H](C2)[C@@H]1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000114358209 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 ZINC000114359093 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1 ZINC000114359220 KK Annotated Anodyne CC(C)n1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl ZINC000114359537 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4nc(-c5ccccc5)oc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000114359618 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cc5c(cc4-c4cc(F)c(F)cc4F)CCC5)CC3)OC2=O)cc1 ZINC000114360351 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1 ZINC000114360449 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cnn(C5CCCCC5)c4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000114360884 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4nc(-c5ccccc5)oc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 ZINC000114361463 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4sc(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1 ZINC000114361661 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000114362096 KK Annotated Anodyne COc1ccc(-c2nc(C(C)(C)C)sc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 ZINC000114362469 KK Annotated Anodyne CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(Br)ccc21 ZINC000114364400 KK Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccc(C(F)(F)F)cc3)c3c(c2OC)OCO3)CCN1C ZINC000114385497 KK Annotated Anodyne CC(C)(O)c1cn(-c2ccc(-c3cc(F)c(CO)c(S(C)(=O)=O)c3)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1 ZINC000114579260 KK Annotated Anodyne in-vitro Cc1cc(CC(=O)O)ccc1-c1ccc(-c2cc(C(F)(F)F)c(C#N)c(=O)n2Cc2ccc(F)cc2F)s1 ZINC000114581141 KK Annotated Anodyne Cc1c(S(=O)(=O)NCCCCN2CCC(c3noc4cc(F)ccc34)CC2)sc2ccc(F)cc12 ZINC000114602922 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@@H]3CCCO3)cc2n1Cc1ccccn1 ZINC000114626997 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@@H]3CCOC3)cc2n1Cc1ccccn1 ZINC000114627008 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@@H]3CCNC3)cc2n1Cc1ccccc1 ZINC000114627102 KK Annotated Anodyne O=C(O)CC1CCN(c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CC1 ZINC000114708994 KK Annotated Anodyne O=C(O)c1cc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)ccc1O ZINC000114709008 KK Annotated Anodyne O=C(N[C@H](C(=O)O)c1ccccc1)c1nc2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114710021 KK Annotated Anodyne COc1ccc(NC(=O)c2nc3ccccc3n([C@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1 ZINC000114710926 KK Annotated Anodyne O=C(O)c1ccncc1Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114711083 KK Annotated Anodyne O=C(O)Cc1csc(NC(=O)c2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)n1 ZINC000114711466 KK Annotated Anodyne O=C(O)C1(Nc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)CCCCC1 ZINC000114711938 KK Annotated Anodyne O=C(O)c1ccccc1Nc1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCC2)c1=O ZINC000114713302 KK Annotated Anodyne O=C(O)c1cccc(CNc2nc3ccccc3n([C@@H]3C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)c1 ZINC000114764621 KK Annotated Anodyne O=C(O)c1ccc2c(c1)CN(c1nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c1=O)CC2 ZINC000114764677 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CN(c1nc3ccccc3n(C3CCN(C4CCCCCCC4)CC3)c1=O)CC2 ZINC000114764980 KK Annotated Anodyne O=S1(=O)Nc2ccccc2CN1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000114817032 KK Annotated Anodyne CCC/C(=C/Oc1ccc(C(=O)c2ccccc2)c(O)c1)C(=O)OOc1ccc(C(=O)c2ccccc2)c(O)c1 ZINC000114823487 KK Annotated Reactive CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000114962849 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000114962851 KK 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/C1=C(C)C[C@@H](O)CC1(C)C)CO ZINC000114965314 KK Annotated Anodyne O=C(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)cc1Cl ZINC000114977821 KK Annotated Anodyne O=C(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)cc1Cl ZINC000114977823 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc2ccccc2c1 ZINC000114978362 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc2ccccc2c1 ZINC000114978364 KK Annotated Anodyne O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)nc1)c1cccnc1 ZINC000114978391 KK Annotated Anodyne O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)nc1)c1cccnc1 ZINC000114978393 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccc2cccnc12 ZINC000114978484 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccc2cccnc12 ZINC000114978485 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccc(Cl)c1 ZINC000114978507 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccc(Cl)c1 ZINC000114978508 KK Annotated Anodyne O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)Nc1ccccn1 ZINC000114978805 KK Annotated Anodyne O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)Nc1ccccn1 ZINC000114978807 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)C1 ZINC000114978904 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)C1 ZINC000114978906 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)C1 ZINC000114978908 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H](S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)C1 ZINC000114978910 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(CCCF)cc1 ZINC000114978923 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(CCCF)cc1 ZINC000114978925 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CCN(Cc2ccccc2)CC1 ZINC000114979140 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)C1CCN(Cc2ccccc2)CC1 ZINC000114979144 KK Annotated Anodyne O=S(=O)(CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)Nc1ccccc1 ZINC000114979873 KK Annotated Anodyne O=S(=O)(CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)Nc1ccccc1 ZINC000114979875 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccs1 ZINC000114979956 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccs1 ZINC000114979958 KK Annotated Anodyne O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1)c1cccs1 ZINC000114980008 KK Annotated Anodyne O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1)c1cccs1 ZINC000114980010 KK Annotated Anodyne COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1 ZINC000114980081 KK Annotated Anodyne COc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1 ZINC000114980083 KK Annotated Anodyne COc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980245 KK Annotated Anodyne COc1ccccc1S(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980247 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)nc1 ZINC000114980289 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)nc1 ZINC000114980291 KK Annotated Anodyne O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccs1 ZINC000114980311 KK Annotated Anodyne O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccs1 ZINC000114980312 KK Annotated Anodyne CCCS(=O)(=O)Nc1cccnc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980443 KK Annotated Anodyne CCCS(=O)(=O)Nc1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980446 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)nc1 ZINC000114980569 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)nc1 ZINC000114980572 KK Annotated Anodyne O=S(=O)(Cc1ccccc1)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980883 KK Annotated Anodyne O=S(=O)(Cc1ccccc1)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114980885 KK Annotated Anodyne O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccnc1 ZINC000114981064 KK Annotated Anodyne O=S(=O)(Nc1cccnc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccnc1 ZINC000114981066 KK Annotated Anodyne O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@H]2C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000114981068 KK Annotated Anodyne O=S(=O)(NCCOc1cc2c(cc1F)CCN[C@@H]2C1(c2ccc(Cl)cc2)CCC1)c1ccccc1 ZINC000114981070 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)cc1 ZINC000114981495 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Cl)cc1 ZINC000114981496 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccs1 ZINC000114981506 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccs1 ZINC000114981509 KK Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(F)cc3)CCC1)N(CC(F)(F)F)CC2 ZINC000114981645 KK Annotated Anodyne CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(F)cc3)CCC1)N(CC(F)(F)F)CC2 ZINC000114981647 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Oc2ccccc2)nc1 ZINC000114981654 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(Oc2ccccc2)nc1 ZINC000114981656 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(NCc2ccccc2)nc1 ZINC000114981793 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(NCc2ccccc2)nc1 ZINC000114981795 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccnc1 ZINC000114983391 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cccnc1 ZINC000114983395 KK Annotated Anodyne O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)nc1)c1cccs1 ZINC000114983515 KK Annotated Anodyne O=S(=O)(Nc1ccc(Oc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)nc1)c1cccs1 ZINC000114983518 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)CCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114984811 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)CCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 ZINC000114984813 KK Annotated Anodyne CC(C)(O)C[C@]1(c2ccccc2)CCN(C(C)(C)c2ccc(-c3ccn(C4CC4)c(=O)c3)cc2)C(=O)O1 ZINC000114985467 KK Annotated Anodyne CC(C)(O)C[C@@]1(c2ccccc2)CCN(C(C)(C)c2ccc(-c3ccn(C4CC4)c(=O)c3)cc2)C(=O)O1 ZINC000114985469 KK Annotated Anodyne Cc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(/N=N/c3ccc(Nc4ccccc4)c4c(S(=O)(=O)O)cccc34)c12 ZINC000011616955 KK Annotated Clean in-man Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5coc6ccccc56)ccc4[nH]1)C3=CC2=O ZINC000011677033 KK Annotated Mild in-man Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5coc6ccccc56)ccc4[nH]1)C3=CC2=O ZINC000011677038 KK Annotated Mild in-man CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000011680870 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000011680875 KK Annotated Anodyne CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000011680879 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000011680886 KK Annotated Anodyne C#CCN1CCC2=C(C1)c1c(OC(=O)[C@@H](C)CCN3CCCC[C@@H]3C)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000011681134 KK Annotated Mild in-man C#CCN1CCC2=C(C1)c1c(OC(=O)[C@@H](C)CCN3CCCC[C@@H]3C)cc([C@H](C)[C@@H](C)CCCCC)cc1OC2(C)C ZINC000011681138 KK Annotated Mild in-man C#CCN1CCC2=C(C1)c1c(OC(=O)[C@@H](C)CCN3CCCC[C@@H]3C)cc([C@@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000011681146 KK Annotated Mild in-man C#CCN1CCC2=C(C1)c1c(OC(=O)[C@@H](C)CCN3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C ZINC000011681153 KK Annotated Mild in-man CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCCC2)cc2c1OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000011681426 KK Annotated Anodyne in-man CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCCC2)cc2c1OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000011681430 KK Annotated Anodyne in-man CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCCC2)cc2c1OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000011681436 KK Annotated Anodyne in-man CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCCC2)cc2c1OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000011681444 KK Annotated Anodyne in-man CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)(O)CCC)cc1)c1ccc(C)cc1 ZINC000011686418 KK Annotated Anodyne C=CC[P@](=O)(O)Cc1ccc(O[C@@H]2N(C(=O)N[C@H](CCC)c3ccc(C)cc3)C(=O)C2(CC)CC)cc1 ZINC000011686419 KK Annotated Mild N#Cc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000011688622 KK Annotated Mild CCc1cc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3cccc(NS(=O)(=O)C(F)(F)F)c3)c(Br)c2c1 ZINC000011726761 KK Annotated Anodyne in-man Cc1c(NC(=O)c2cc3ccccc3s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115156798 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C3CC3)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115157818 KK Annotated Anodyne Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115158045 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)s2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 ZINC000115160114 KK Annotated Anodyne CCOC(=O)c1cccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)n1 ZINC000115230428 KK Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(CN4CCNC(C)(C)C4)nc3)c3nccnc23)c1Cl ZINC000115294400 KK Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3nc(CN(C)C)c[nH]3)c3ncccc23)c1Cl ZINC000115295537 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CC1 ZINC000115454989 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@H]4CCOC(C)(C)C4)n3)c(Cl)cn2)CC1 ZINC000115454992 KK Annotated Anodyne N#CC1(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](NC5CCOCC5)CC4)ncc3Cl)n2)CCOCC1 ZINC000115455028 KK Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3F)c(Cl)cn2)CC1 ZINC000115455191 KK Annotated Anodyne FC(F)(F)OCCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115455256 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@@H]3CCCO3)CC2)cc1-c1cccc(NCC2CCOCC2)n1 ZINC000115455767 KK Annotated Anodyne CC1(C)C[C@@H](CNc2ccc(Cl)c(-c3cc(N[C@@H]4CC[C@@H](NC[C@H](O)C(F)(F)F)CC4)ncc3Cl)n2)CCO1 ZINC000115455829 KK Annotated Anodyne CC1(C)C[C@H](CNc2ccc(Cl)c(-c3cc(N[C@@H]4CC[C@@H](NC[C@H](O)C(F)(F)F)CC4)ncc3Cl)n2)CCO1 ZINC000115455832 KK Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Br)c(Cl)cn2)CC1 ZINC000115455877 KK Annotated Anodyne CCOC(=O)c1coc(N[C@@H]2CC[C@@H](Nc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)n1 ZINC000115456006 KK Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115456026 KK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](Nc5cc(Cl)ncn5)CC4)ncc3Cl)n2)c1 ZINC000115456095 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@H]3CCCO3)CC2)cc1-c1cccc(NCC2CCOCC2)n1 ZINC000115456144 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456230 KK Annotated Mild O[C@@H](CN[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1)C(F)(F)F ZINC000115456321 KK Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cc(F)cc(F)c4)n3)c(Cl)cn2)CC1 ZINC000115456332 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115456491 KK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@H]4CCCNC4)n3)c(Cl)cn2)CC1)OCc1ccccc1 ZINC000115456699 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@@H]3CCCO3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl ZINC000115456714 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115456752 KK Annotated Anodyne COCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4C[C@H](C)O[C@H](C)C4)n3)c(Cl)cn2)CC1 ZINC000115456798 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](N[C@@H]3CCOC3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl ZINC000115456909 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](N[C@H]3CCOC3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl ZINC000115456912 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NC[C@@H]4CCCCO4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115456914 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](N3CCCC3)CC2)cc1-c1cnc(Cl)c(NCC2CCOCC2)n1 ZINC000115457075 KK Annotated Anodyne N#CC1(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](NCCOC(F)(F)F)CC4)ncc3Cl)n2)CCOCC1 ZINC000115457162 KK Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NC[C@H]4CCCCO4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115457223 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NC[C@@H]4CCCOC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115457309 KK Annotated Anodyne CC1(C)OC[C@@H](CN[C@@H]2CC[C@@H](Nc3cc(-c4nc(NCC5CCOCC5)ccc4Cl)c(Cl)cn3)CC2)O1 ZINC000115457316 KK Annotated Anodyne COCCN(C)[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115457330 KK Annotated Anodyne CCCN[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457332 KK Annotated Mild CCCN(CCC)[C@@H]1CC[C@@H](Nc2cc(-c3ccc(F)c(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457427 KK Annotated Mild COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NC[C@H]4CCCOC4)ccc3Cl)c(Cl)cn2)CC1 ZINC000115457651 KK Annotated Anodyne CC1(C)C[C@@H](CNc2ccc(Cl)c(-c3cc(N[C@@H]4CC[C@@H](NC[C@@H](O)C(F)(F)F)CC4)ncc3Cl)n2)CCO1 ZINC000115457707 KK Annotated Anodyne CC1(C)C[C@H](CNc2ccc(Cl)c(-c3cc(N[C@@H]4CC[C@@H](NC[C@@H](O)C(F)(F)F)CC4)ncc3Cl)n2)CCO1 ZINC000115457709 KK Annotated Anodyne FC(F)(F)OCCN[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000115457888 KK Annotated Anodyne CCNC(=O)Sc1nnc(-c2ccc(OC(=O)N(C)C)cc2OC(=O)N(C)C)n1-c1cccc2ccccc12 ZINC000115808683 KK Annotated Anodyne CC(C)c1cc(-c2nnc(Nc3cccc(C(F)(F)F)c3)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115811327 KK Annotated Anodyne CC(C)c1cc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)n2-c2ccc3c(ccn3C)c2)c(O)cc1O ZINC000115811568 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)c(C)c2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2nc(C)nn12 ZINC000115997595 KK Annotated Anodyne CN1CC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCc6c(sc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2)C1 ZINC000116053870 KK Annotated Anodyne CN1CCC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCn6c(cc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2)CC1 ZINC000116054033 KK Annotated Anodyne CN1CCC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCc6c(sc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)cc2)CC1 ZINC000116056480 KK Annotated Anodyne CNC(=O)Cc1ccc(Cl)c(F)c1-n1c(C2CCCCC2)nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1 ZINC000116173488 KK Annotated Anodyne CC(C)(C)NC(=O)Cc1ccc(Cl)c(F)c1-n1c(C2CCCCC2)nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1 ZINC000116173987 KK Annotated Anodyne Nc1nnc(-c2nc(C3CCCCC3)n(-c3c(CC(=O)NC4CCCCC4)ccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1 ZINC000116187240 KK Annotated Anodyne COc1ccc(CN2C[C@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6ncc[nH]6)cc5)c4n3)C2=O)cc1 ZINC000116187490 KK Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCCC3)c2)c1)c1ccc2c(c1)OCCO2 ZINC000116226055 KK Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NC3CCCC3)c2)c1)c1ccc2c(c1)OCOC2 ZINC000116228052 KK Annotated Anodyne Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCC(=O)O)c[nH]4)c3)cc2F)c1 ZINC000116235413 KK Annotated Anodyne Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)NCCCC(=O)O)c[nH]4)c3)cc2F)c1 ZINC000116235456 KK Annotated Anodyne Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@H](C(=O)O)C5)c[nH]4)c3)cc2F)c1 ZINC000116235691 KK Annotated Anodyne Cc1ccc(F)c(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@@H](C(=O)O)C5)c[nH]4)c3)cc2F)c1 ZINC000116235693 KK Annotated Anodyne Cc1ccc(F)c(NC(=O)c2ccc(F)c(Oc3ccnc(-c4cc(C(=O)N5CCC[C@@H](O)C5)c[nH]4)c3)c2)c1 ZINC000116235750 KK Annotated Anodyne Cc1ccc(F)c(NC(=O)c2ccc(F)c(Oc3ccnc(-c4cc(C(=O)N5CCC[C@H](O)C5)c[nH]4)c3)c2)c1 ZINC000116235753 KK Annotated Anodyne CCOC(=O)CCCNC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cc(C)ccc4F)c(F)c3)ccn2)c1 ZINC000116235778 KK Annotated Anodyne CCNC(=O)[C@H](CCC(=O)O)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)ccn2)c1 ZINC000116235834 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CC[C@@H](O)C5)c[nH]4)c3)cc2F)c1 ZINC000116235871 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CCC[C@@H](O)C5)c[nH]4)c3)cc2F)c1 ZINC000116236326 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc(Oc3ccnc(-c4cc(C(=O)N5CCC[C@H](O)C5)c[nH]4)c3)cc2F)c1 ZINC000116236330 KK Annotated Anodyne CC(=O)CCCC(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(=O)C(C)(C)CCCC(C)=O ZINC000116241509 KK Annotated Mild CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N(C)C(C)(C)C1=O ZINC000116615539 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000116616100 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000116616103 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O ZINC000116616193 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O ZINC000116616196 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000116616247 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000116616248 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O ZINC000116616945 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O ZINC000116616946 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000116617855 KK Annotated Anodyne CCCc1cc2c(C(F)(F)F)cc(=O)oc2c(CCC)c1OCCCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O ZINC000116617858 KK Annotated Anodyne O[C@@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000116676844 KK Annotated Unstable O[C@H](CN1c2cccc(-c3ccc(OC(F)(F)F)cc3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000116680551 KK Annotated Mild CC(C)[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000116680703 KK Annotated Anodyne CC(C)[C@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000116680706 KK Annotated Anodyne N#Cc1cccc(-c2cccc3c2CC[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@@H](O)C(F)(F)F)c1 ZINC000116680945 KK Annotated Mild COc1cccc(-c2cccc3c2CC[C@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@@H](O)C(F)(F)F)c1 ZINC000116683388 KK Annotated Mild COc1cccc(-c2cccc3c2CC[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@@H](O)C(F)(F)F)c1 ZINC000116683390 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)F ZINC000116683505 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccs3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000116683943 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccnc3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000116683946 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(F)c3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000116683954 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(Cl)c3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000116684193 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000116684238 KK Annotated Mild COC[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000116684660 KK Annotated Anodyne CCc1cc(Oc2cccc3c2CC[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@@H](O)C(F)(F)F)ccc1Cl ZINC000116684759 KK Annotated Mild O[C@@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000116684892 KK Annotated Mild Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](OC(=O)OCC(C)C)(C(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000116898147 KK Annotated Anodyne Cc1cnc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(C(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1 ZINC000116899529 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)N1CCCC1 ZINC000116932550 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)C1CCCCC1 ZINC000116933114 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)N1CCOCC1 ZINC000116937354 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)OCC1(C)COC1 ZINC000116938658 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N3CCCC3)nc2c1Br ZINC000117020175 KK 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=C/[C@@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000117068761 KK Annotated Anodyne CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(OCC(F)(F)C(F)(F)F)cc3)nc2c1 ZINC000117147420 KK Annotated Anodyne Nc1ccc(Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)cc1 ZINC000117199177 KK Annotated Clean Brc1c(Br)c(Br)c2[nH]c(NCCN3CCCCC3)nc2c1Br ZINC000117199213 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(NCCN3CCCC3)nc2c1Br ZINC000117202317 KK Annotated Anodyne C[C@@H]1C[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1CNc1cc(-c2ccc(F)cc2)[nH]n1 ZINC000117306970 KK Annotated Anodyne Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCC2CCN(C)CC2)cc1Cl ZINC000117316039 KK Annotated Anodyne CCCNc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1 ZINC000117340430 KK Annotated Anodyne CCCNc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1 ZINC000117340431 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1c(Cl)nc2sccn12 ZINC000117350925 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1c(Cl)nc2sccn12 ZINC000117350928 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(-c2ccon2)s1 ZINC000117351170 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)c1ccc(-c2ccon2)s1 ZINC000117351173 KK Annotated Anodyne Cc1cc(F)ccc1-c1cc(N2CC[C@@H](O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000117393331 KK Annotated Mild C[C@H](NC(=O)COc1cc(C(F)(F)F)c2c(-c3cccc(Br)c3)nn(C)c2n1)c1ccccc1 ZINC000117517284 KK Annotated Anodyne COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)CCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1 ZINC000117532729 KK Annotated Anodyne in-vitro CSc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)cc(C(F)(F)F)n1 ZINC000117595760 KK Annotated Anodyne CSc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)cc(C(F)(F)F)n1 ZINC000117595763 KK Annotated Anodyne CSc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(C(F)(F)F)n1 ZINC000117595767 KK Annotated Anodyne CSc1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C3(C)C)cc(C(F)(F)F)n1 ZINC000117595770 KK Annotated Anodyne COC(=O)COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000117670749 KK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(N4CCCC4=O)CC3)s2)c1 ZINC000117785743 KK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@](O)(c2ncc(-c3cc(C)cc(Nc4nccc(C)n4)c3)s2)C[C@@H]1c1ccccc1 ZINC000117785786 KK Annotated Anodyne CCOC(=O)[C@H]1CC[C@](O)(c2ncc(-c3cc(C)cc(Nc4nccc(C)n4)c3)s2)C[C@@H]1c1ccccc1 ZINC000117785788 KK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@](O)(c2ncc(-c3cc(C)cc(Nc4nccc(C)n4)c3)s2)C[C@@H]1c1ccccc1 ZINC000117785790 KK Annotated Anodyne CCOC(=O)[C@H]1CC[C@@](O)(c2ncc(-c3cc(C)cc(Nc4nccc(C)n4)c3)s2)C[C@@H]1c1ccccc1 ZINC000117785792 KK Annotated Anodyne CC1(C)C[C@@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(C4CC4)c3)s2)CC[C@@H]1C(=O)O ZINC000117851352 KK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CN(C(=O)OC(C)(C)C)C3)s2)c1 ZINC000117866478 KK Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@@H]5CN(C(=O)OC(C)(C)C)CCO5)ccn34)c12 ZINC000117880788 KK Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OC[C@H]5CN(C(=O)OC(C)(C)C)CCO5)ccn34)c12 ZINC000117880791 KK Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCc6ccccc6)ccn45)cccc32)n1 ZINC000117880814 KK Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OC6CCN(C)CC6)ccn45)cccc32)n1 ZINC000117881691 KK Annotated Anodyne CC(C)c1nc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)cs1 ZINC000117883541 KK Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(OCCN6CCCC6)ccn45)cccc32)n1 ZINC000117888152 KK Annotated Anodyne Cc1cccc(Cn2nc(C3CC3)c3c(NC(=O)c4cnc5cc(Br)ccn45)cccc32)n1 ZINC000117891139 KK Annotated Anodyne CC(C)N1CCN(CCOc2ccn3c(C(=O)Nc4cccc5c4c(C4CC4)nn5Cc4ccn(C(C)C)n4)cnc3c2)CC1 ZINC000117894745 KK Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC(F)(F)CNC(=O)OC(C)(C)C)ccn34)c12 ZINC000117895254 KK Annotated Anodyne C=COCCOCCOc1ccn2c(C(=O)Nc3cccc4c3c(C3CC3)nn4Cc3cccc(C)n3)cnc2c1 ZINC000117895741 KK Annotated Anodyne COc1nc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CC[C@H](C(=O)O)C(C)(C)C4)s3)c2)ncc1C(F)(F)F ZINC000117898631 KK Annotated Anodyne Cc1c(-c2ccccc2F)nc2cccc(Cl)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118090886 KK Annotated Anodyne Cc1c(-c2ccc3c(ccn3C)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118091042 KK Annotated Anodyne Cc1c(-c2cc(F)cc(F)c2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118091278 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(-c3nc(N)ncc3Cl)cc21 ZINC000118091579 KK Annotated Anodyne Cc1ncccc1-c1nc2cc(F)ccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C ZINC000118091614 KK Annotated Clean Cc1ccnc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118091964 KK Annotated Anodyne Cc1ccnc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118092099 KK Annotated Anodyne Cc1c(Cc2cccc(C(F)(F)F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092206 KK Annotated Anodyne Cc1ccnc(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118092222 KK Annotated Anodyne Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118092252 KK Annotated Anodyne Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118092307 KK Annotated Clean Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(Cl)c(N3CCOCC3)cc21 ZINC000118092314 KK Annotated Anodyne Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(F)ccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118092508 KK Annotated Mild Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118092529 KK Annotated Anodyne Cc1c(Cc2cccc(C#N)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092613 KK Annotated Mild COc1cccc(Cc2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118092644 KK Annotated Anodyne Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118092671 KK Annotated Anodyne Cc1c(N2CC(C)(C)CCC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118092692 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2nc(Br)c(N3CCOCC3)cc21 ZINC000118092754 KK Annotated Anodyne Cc1c(/C=C/c2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092879 KK Annotated Anodyne Cc1c(Cc2cccc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118092963 KK Annotated Anodyne Cc1c(-c2ccncc2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118093021 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118093086 KK Annotated Anodyne Cc1c(Nc2ccccn2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093265 KK Annotated Anodyne Cc1cc(C)cc(-c2nc3cc(F)ccc3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118093278 KK Annotated Anodyne Cc1cncc(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000118093589 KK Annotated Clean Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC(C)(C)c2nc(Br)c(N3CCOCC3)cc21 ZINC000118093595 KK Annotated Anodyne Cc1c(-c2cccc3ccccc23)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093597 KK Annotated Anodyne Cc1c(C2(c3ccccc3)CC2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093655 KK Annotated Anodyne C=Cc1nc2c(cc1N1CCOCC1)N(c1c(C)c(-c3ccccn3)nc3cc(F)ccc13)CC21CCOCC1 ZINC000118093731 KK Annotated Anodyne Cc1c(Cc2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118093844 KK Annotated Anodyne Cc1c(-n2ccccc2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118094011 KK Annotated Anodyne C=C(c1ccccc1)c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(N4CCOCC4)cc32)c1C ZINC000118094334 KK Annotated Anodyne Cc1c(-c2cccc(O)n2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118094340 KK Annotated Anodyne Cc1c(N2CC(C)(C)CC2=O)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118094676 KK Annotated Anodyne Cc1c(CCc2ccccc2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118094864 KK Annotated Anodyne Cc1ccnc(-c2nc3ncccc3c(N3CC(C)(C)c4nc(Cl)c(N5CCOCC5)cc43)c2C)c1 ZINC000118095268 KK Annotated Anodyne Cc1c(-c2cccc(S(C)(=O)=O)c2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118095375 KK Annotated Anodyne Cc1c(-c2cccc(F)c2)nc2ncccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118095389 KK Annotated Anodyne COc1ccccc1-c1cc(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c2cc(Cl)ccc2n1 ZINC000118095395 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cccc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118095433 KK Annotated Anodyne Cc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cccc(F)c2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 ZINC000118095448 KK Annotated Mild Cc1c(-c2ccccc2S(C)(=O)=O)nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(-c3ccnc(N)n3)cc21 ZINC000118095722 KK Annotated Anodyne Cc1c(-c2cc(F)cc(F)c2)nc2cnccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118095740 KK Annotated Anodyne Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000118095778 KK Annotated Anodyne Cc1c(-c2ccccc2F)nc2cccc(F)c2c1N1CCS(=O)(=O)c2ccc(N3CCOCC3)cc21 ZINC000118095863 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118096279 KK Annotated Anodyne Cc1c(-c2cncc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000118096511 KK Annotated Clean COc1cc(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)ccn1 ZINC000118096671 KK Annotated Anodyne Cc1c(-c2ccccc2F)nc2cc(Cl)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21 ZINC000118097079 KK Annotated Anodyne CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1cccc(C(=O)O)n1 ZINC000118146207 KK Annotated Anodyne CC(C)(O)CCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000118220812 KK Annotated Anodyne CC(C)(C)OC(=O)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1/sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000118246272 KK Annotated Reactive CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ON=C2CCCC2)s1 ZINC000118250060 KK Annotated Mild CC(C)(C)c1cn(C[C@@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2ON=C2CCCC2)s1 ZINC000118250071 KK Annotated Mild CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2cccn2C)CC1 ZINC000118317210 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C2CCOCC2)CC1 ZINC000118319098 KK Annotated Anodyne COc1cccc(N2CCN(C(=O)O[C@@H](C)/C=C\C(=O)N[C@@H]3CC[C@@H](C/C=C(C)/C=C/[C@@H]4C[C@]5(CO5)CC(C)(C)O4)CC3)CC2)c1 ZINC000118321129 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C2CCN(C)CC2)CC1 ZINC000118321279 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2ccccc2)CC1 ZINC000118321788 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2ccco2)CC1 ZINC000118325864 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)c2cccnc2)CC1 ZINC000118327673 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000118332120 KK Annotated Anodyne COC(c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1)(c1ccc(F)cc1F)c1ccc(F)cc1F ZINC000118362329 KK Annotated Bother O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2cccc3ccccc23)oc1Cc1ccc(OP(=O)(O)O)cc1 ZINC000118363869 KK Annotated Anodyne O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2ccccc2)sc1Cc1ccc(OP(=O)(O)O)cc1 ZINC000118367765 KK Annotated Anodyne O=C(Nc1ccc(C2CCCCC2)cc1)c1nc(-c2cccc3ccccc23)sc1Cc1ccc(OP(=O)(O)O)cc1 ZINC000118369143 KK Annotated Anodyne C[C@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)CCN1C(=O)OC(C)(C)C ZINC000118398278 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C)(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4Cl)nc23)CC1 ZINC000118401105 KK Annotated Anodyne COc1cc(-c2ccc(COc3cc4c(cn3)CC[C@]43C[C@H]3C(=O)O)cc2[C@H](OC)C(C)(C)C)c(F)cn1 ZINC000118613221 KK Annotated Anodyne CC(C)(NC(=O)c1cncs1)C(=O)Nc1nc(-c2ccc(F)cc2)c(Oc2ccc(F)cc2)s1 ZINC000118625070 KK Annotated Anodyne Cc1cc(-c2ccc3c(c2)OCO3)nn1C[C@@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000118640456 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000118764229 KK Annotated Anodyne CC(C)[C@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000118764271 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000118764933 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000118766241 KK Annotated Mild COc1cccc([C@@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@@H](O)C(F)(F)F)c1 ZINC000118766561 KK Annotated Anodyne COc1cccc([C@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@@H](O)C(F)(F)F)c1 ZINC000118766563 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccccc1OC(F)(F)C(F)F)C(F)(F)F ZINC000118766835 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC000118767858 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(SC(F)(F)F)c1)C(F)(F)F ZINC000118769133 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000118770181 KK Annotated Mild CCOc1cccc([C@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@@H](O)C(F)(F)F)c1 ZINC000118772037 KK Annotated Anodyne CCC(=O)Nc1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118786859 KK Annotated Anodyne CCC(=O)Nc1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118786861 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N[C@@H]3CC[C@H](N)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118787429 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N[C@@H]3CC[C@H](N)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118787431 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N[C@@H]3CC[C@H](N)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118787433 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N[C@@H]3CC[C@H](N)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118787435 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1NC(=O)NC ZINC000118788823 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1NC(=O)NC ZINC000118788825 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118788937 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118788938 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118788940 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118788942 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1N(C)C ZINC000118789006 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1N(C)C ZINC000118789008 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(N(C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789034 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(N(C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789035 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(N(C)C(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789037 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(N(C)C(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789039 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCCN(C)C3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789665 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCCN(C)C3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118789668 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118789990 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1CN ZINC000118790357 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1CN ZINC000118790359 KK Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCc1nn[nH]n1)C(=O)C2 ZINC000118790536 KK Annotated Anodyne in-vitro CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCc1nn[nH]n1)C(=O)C2 ZINC000118790537 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(=O)N(C)CC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118790635 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(C(=O)N(C)CC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118790637 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118790693 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118790697 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(S(C)(=O)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118791164 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(S(C)(=O)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791166 KK Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)c1 ZINC000118791203 KK Annotated Anodyne CC(C)Nc1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118791539 KK Annotated Anodyne CC(C)Nc1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118791540 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791870 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCOCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118791960 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCOCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791962 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCOCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118791963 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCOCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118791965 KK Annotated Anodyne CNC(=O)[C@H]1CCCN1[C@@H](C)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118792267 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1NC(C)=O ZINC000118793264 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1NC(C)=O ZINC000118793267 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CCN(C(C)=O)CC3)cc1)C(=O)C2 ZINC000118793368 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C(C)=O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793645 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C(C)=O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793647 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(CC)C(=O)C3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793934 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(CC)C(=O)C3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793936 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(CC)C(=O)C3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118793938 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(CC)C(=O)C3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118793940 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)C(=O)N3CCC(N(C)C)CC3)cc1)C(=O)C2 ZINC000118793946 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)C(=O)N3CCC(N(C)C)CC3)cc1)C(=O)C2 ZINC000118793948 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCOCC3=O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794596 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCOCC3=O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794598 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCOCC3=O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794599 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCOCC3=O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794601 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)NC3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794616 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)NC3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794618 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)NC3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118794620 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)NC3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118794621 KK Annotated Anodyne COC(=O)[C@@H]1CCCN1[C@@H](C)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000118795171 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1NC(N)=O ZINC000118795263 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1NC(N)=O ZINC000118795265 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)NC(C)=O)cc1)C(=O)C2 ZINC000118795303 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C)C3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795431 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C)C3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795433 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C)C3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795435 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C)C3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795436 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795555 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795557 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-n3cccn3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118795565 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-n3cccn3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118795567 KK Annotated Anodyne CCCN(c1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C ZINC000118795618 KK Annotated Anodyne CCCN(c1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C ZINC000118795620 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CCNCC3=O)cc1)C(=O)C2 ZINC000118795920 KK Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCC(=O)O)C(=O)C2 ZINC000118796266 KK Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCC(=O)O)C(=O)C2 ZINC000118796268 KK Annotated Anodyne CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCCCN1CCOCC1)C(=O)C2 ZINC000118796396 KK Annotated Anodyne CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1OCCCN1CCOCC1)C(=O)C2 ZINC000118796398 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(Cn3ccnc3)cc1)C(=O)C2 ZINC000118796596 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118797930 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118797932 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118797933 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(NC(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118797935 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)Cc3ccncc3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798102 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)Cc3ccncc3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798104 KK Annotated Anodyne in-vitro CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCCNC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798202 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CCCNC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798204 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118798413 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCC(N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118798414 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-c3cn[nH]c3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799233 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-c3cn[nH]c3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799234 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1CNC(C)=O ZINC000118799792 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1CNC(C)=O ZINC000118799794 KK Annotated Anodyne CC(C)N(CCN(C)C)c1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118799850 KK Annotated Anodyne CC(C)N(CCN(C)C)c1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2 ZINC000118799852 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799861 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N3CCCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799863 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118799864 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N3CCCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118799866 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)CN3CCC(N(C)C)CC3)cc1)C(=O)C2 ZINC000118799868 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)CN3CCC(N(C)C)CC3)cc1)C(=O)C2 ZINC000118799871 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1CO ZINC000118800253 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1CO ZINC000118800254 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OCC(=O)N1CCN(C)CC1)CC(=O)N(c1ccc(OC)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118800579 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OCC(=O)N1CCN(C)CC1)CC(=O)N(c1ccc(OC)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118800581 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N3CCCC3=O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118800848 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N3CCCC3=O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118800850 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(C(=O)N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118802736 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)CC3CCN(C(=O)N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118802737 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(CC3CCCC3)C(C)=O)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118802930 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(CC3CCCC3)C(C)=O)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118802932 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CCN(C(C)=O)CC3=O)cc1)C(=O)C2 ZINC000118802977 KK Annotated Anodyne CC(=O)NCCN(c1ccc2c(c1)[C@@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C ZINC000118803136 KK Annotated Anodyne CC(=O)NCCN(c1ccc2c(c1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C ZINC000118803138 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@@H]2c1ccc(Cl)cc1C(N)=O ZINC000118803666 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1C(N)=O ZINC000118803668 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C(C)=O)C3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118819705 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C(C)=O)C3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118819706 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C(C)=O)C3CCNCC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000118819708 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C(C)=O)C3CCNCC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000118819710 KK Annotated Anodyne CCN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccccc1 ZINC000118907464 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccc(C#N)cc2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000118908780 KK Annotated Mild O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(Cl)nc2)cc1)c1ccccc1C(F)(F)F ZINC000118908816 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000118908892 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc3ccccc3c2)cc1)c1ccccc1Cl ZINC000118911186 KK Annotated Anodyne N#Cc1ccc(OCc2ccc(-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1 ZINC000118911191 KK Annotated Mild O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc(F)cc2)cc1)c1ccccc1C(F)(F)F ZINC000118911225 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000118911237 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(Cn2ccc3ccc(F)cc32)cc1)c1ccccc1C(F)(F)F ZINC000118911340 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(COc2ccc3c(c2)CCCC3)cc1)c1ccccc1Cl ZINC000118911364 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(Cn2ccc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000118912156 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)O)CC[C@]34C)[C@@]23O[C@H]13 ZINC000118914170 KK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)[C@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@]35CC[C@]12C)C(C)C ZINC000118919401 KK Annotated Mild CCC(=O)O[C@H]1[C@@H](N2CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118919419 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118920018 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118920019 KK Annotated Mild C[C@H]([C@H](O)[C@@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000118920706 KK Annotated Anodyne C[C@H]([C@@H](O)[C@@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000118920707 KK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@@H](OC(C)=O)C[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]2[C@H]1OC(C)=O ZINC000118921173 KK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@@H](OC(C)=O)C[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]2[C@H]1OC(C)=O ZINC000118921175 KK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[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]2[C@H]1OC(C)=O ZINC000118921177 KK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[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]2[C@H]1OC(C)=O ZINC000118921180 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@@H](O)C[C@H]4[C@@H]3CC[C@@H]12 ZINC000118921235 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)Cn3cnc4c(OCc5ccccc5)nc(N)nc43)CC[C@@H]12 ZINC000118921568 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)Cn1cnc2c(OCc3ccccc3)nc(N)nc21 ZINC000118921571 KK Annotated Anodyne C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)[C@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118921611 KK Annotated Anodyne CC(=O)[C@@]1(OC(=O)c2ccc(Br)cc2)CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@@]21C ZINC000118921669 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C4=C[C@]5(C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C)NC(=S)N4)C(C)C ZINC000118921787 KK Annotated Reactive CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@@H]5C=C[C@H](n6cc(C)c(=O)[nH]c6=O)O5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922374 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@H]5C=C[C@H](n6cc(C)c(=O)[nH]c6=O)O5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922376 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@@H]5C=C[C@@H](n6cc(C)c(=O)[nH]c6=O)O5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922378 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@H]5C=C[C@@H](n6cc(C)c(=O)[nH]c6=O)O5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118922379 KK 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)Cc1ccc(Cl)cc1Cl ZINC000118922743 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118938957 KK Annotated Mild CC(=O)O[C@H]1[C@@H](N(C)C(=O)c2ccccc2)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]12 ZINC000119609598 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)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]12 ZINC000119609858 KK Annotated Anodyne CCCC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000119626999 KK Annotated Bother investigational Cc1cccc2cc(CN(C(=O)c3ccc(-c4ccc(F)cc4)cc3)C3CC3)c(N3CCC(O)CC3)nc12 ZINC000012079803 KK Annotated Anodyne O=C(Cc1ccccc1)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000012209233 KK Annotated Anodyne Cc1cc(C(=O)N2CCOc3c(cc(-c4csc5ccccc45)cc3OCCc3ccccn3)C2)n(C)n1 ZINC000012247417 KK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000012381206 KK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000012381207 KK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(Nc2ccc(Cl)cc2)CCCCC1 ZINC000012381220 KK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(Nc2ccc(Cl)cc2)CCCCC1 ZINC000012381221 KK Annotated Anodyne COC(=O)c1ccc(/N=C/c2ccc(-c3ccc(/C=N/c4ccc(C(=O)OC)cc4O)cc3)cc2)c(O)c1 ZINC000012403150 KK Annotated Mild CN1/C(=C2\S/C(=N\c3ccc4ncccc4c3)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 ZINC000012417147 KK Annotated Mild Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(C)n5CCN4CCCCC4)CC3)n2)cc1 ZINC000012470824 KK Annotated Anodyne Cc1csc(N2CCN(c3cc4c(cc3Cl)nc(-c3ccncc3)n4CCCN3CCCC3)CC2)n1 ZINC000012470829 KK Annotated Anodyne Cc1cccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2-c2ccc(O[C@@H]3CCCCO3)cc2)c1 ZINC000012476975 KK Annotated Anodyne Cc1cccc(-c2oc3ccc(-c4ccc5c(c4)OCO5)cc3c2-c2ccc(O[C@H]3CCCCO3)cc2)c1 ZINC000012476979 KK Annotated Anodyne COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1OC ZINC000012478788 KK Annotated Anodyne COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2C(C)=O)cc1OC ZINC000012478794 KK Annotated Anodyne COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)[C@H]3C2=O)cc1OC ZINC000012478799 KK Annotated Anodyne C=C1CCN([C@@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc21 ZINC000012478896 KK Annotated Mild COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000012479708 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H](C)Nc3nc(-c4ccc(F)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000012489836 KK Annotated Anodyne Cc1ccc(Cn2c([C@H](C)Nc3nc(-c4ccc(F)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000012489845 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H](C)Nc3nc(-c4ccc(F)cc4)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000012489995 KK Annotated Anodyne Cc1ccc(Cn2c([C@H](C)Nc3nc(-c4ccc(F)cc4)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000012490004 KK Annotated Anodyne OCCOCCn1c([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012490034 KK Annotated Anodyne OCCOCCn1c([C@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012490039 KK Annotated Anodyne COc1ccc(-c2csc(N[C@@H](C)c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCCO)n2)cc1 ZINC000012490059 KK Annotated Anodyne COc1ccc(-c2csc(N[C@H](C)c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCCO)n2)cc1 ZINC000012490067 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H](CO)Nc3nc(-c4ccc(Cl)c([N+](=O)[O-])c4)cs3)nc3ccccc32)cc1 ZINC000012490088 KK Annotated Bother Cc1ccc(Cn2c([C@H](CO)Nc3nc(-c4ccc(Cl)c([N+](=O)[O-])c4)cs3)nc3ccccc32)cc1 ZINC000012490097 KK Annotated Bother COc1ccc(-c2csc(N[C@@H](C)c3nc4cc(Cl)c(Cl)cc4n3CCOCCO)n2)cc1 ZINC000012490117 KK Annotated Anodyne COc1ccc(-c2csc(N[C@H](C)c3nc4cc(Cl)c(Cl)cc4n3CCOCCO)n2)cc1 ZINC000012490123 KK Annotated Anodyne OCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012507227 KK Annotated Anodyne OCCCn1c([C@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012507229 KK Annotated Anodyne COc1ccc(-c2csc(N[C@@H](C)c3nc4cc(C(F)(F)F)ccc4n3CCOCCO)n2)cc1 ZINC000012507248 KK Annotated Anodyne COc1ccc(-c2csc(N[C@H](C)c3nc4cc(C(F)(F)F)ccc4n3CCOCCO)n2)cc1 ZINC000012507250 KK Annotated Anodyne OCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012507252 KK Annotated Anodyne OCCCn1c([C@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012507254 KK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCCO ZINC000012507256 KK Annotated Anodyne C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCCO ZINC000012507258 KK Annotated Anodyne OCCOCCn1c([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012507264 KK Annotated Anodyne OCCOCCn1c([C@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(C(F)(F)F)ccc21 ZINC000012507266 KK Annotated Anodyne OCCOCCn1c(CCNc2nc(-c3ccc(Cl)cc3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000012507293 KK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1Cc1ccccc1 ZINC000012509175 KK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1Cc1ccccc1 ZINC000012509188 KK Annotated Anodyne Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H]4CC=C[C@@H]34)cc2)c(Br)c1 ZINC000012565965 KK Annotated Reactive CC[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000012726554 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000012727038 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000012727040 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000012727106 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000012727108 KK Annotated Anodyne CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc1 ZINC000012947286 KK Annotated Clean CC(C)C(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2[C@H](O)C[C@@]2(C)[C@H]3[C@H](O)C[C@@H]2[C@H](C)CC[C@H](CCO)C(C)C)C1 ZINC000125587062 KK Annotated Mild COc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)ccc1O ZINC000013005058 KK Annotated Clean CSc1ccc(/C=C2\N=C(c3ccccc3)N(c3nc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc1 ZINC000013005059 KK Annotated Clean O=C(C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000013118562 KK Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013118610 KK Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)NCc3ccccc3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000013118619 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1CCCCCC(=O)O ZINC000013125817 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1CCCCCC(=O)O ZINC000013125818 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1CCCCCC(=O)O ZINC000013125823 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1CCCCCC(=O)O ZINC000013125824 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1[C@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000013152037 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@H]1[C@H](c1ccccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000013152041 KK Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1C(c1ccccc1O)[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000013152430 KK Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)nc1N ZINC000013223316 KK Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000013286691 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000013286693 KK Annotated Anodyne CCc1cc(C(=O)/N=N\c2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1 ZINC000013301421 KK Annotated Clean CC(C)=CC(=O)Oc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCC[C@](C)(COC(=O)c3ccc(O)c(O)c3)[C@@H]1CC2 ZINC000013302758 KK Annotated Clean COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(OC)cc2c(c1O)c(=O)c1cccc(O)c1n2C ZINC000013307619 KK Annotated Bother in-man COc1cc2oc(=O)ccc2cc1[C@@H](C=C(C)C)c1c(OC)cc2c(c1O)c(=O)c1cccc(O)c1n2C ZINC000013307621 KK Annotated Bother in-man CCCCCC(=O)Cc1c(Oc2cc(O)cc3cc(CCCCC)oc(=O)c23)c(O)cc(O)c1C(=O)O ZINC000013310287 KK Annotated Anodyne CCCCCC(=O)Cc1c(Oc2cc(OC)cc3cc(CCCCC)oc(=O)c23)c(O)cc(O)c1C(=O)O ZINC000013310289 KK Annotated Anodyne CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c3c(c1O2)C[C@@](O)(CCCCC)OC3=O ZINC000013310293 KK Annotated Anodyne COc1ccc(CC[C@H](c2ccc(O)cc2)c2cc(CCC(=O)c3ccc(O)cc3)c(O)cc2OC)c(O)c1 ZINC000013341196 KK Annotated Anodyne COc1cc(O)c([C@@H](CCc2ccc(O)cc2OC)c2ccc(O)cc2)cc1CCC(=O)c1ccc(O)cc1 ZINC000013341204 KK Annotated Anodyne COc1cc(O)c([C@H](CCc2ccc(O)cc2OC)c2ccc(O)cc2)cc1CCC(=O)c1ccc(O)cc1 ZINC000013341206 KK Annotated Anodyne CCCCCc1cc(OC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CCCCC)cc(OC)c1C(=O)O ZINC000013370407 KK Annotated Anodyne COc1c(O)cc(C/C=C(\C)CCC[C@@H](C)C(=O)/C=C/C(C)(C)O)c(CCN(C)C)c1Br ZINC000013370770 KK Annotated Mild C/C1=C\CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 ZINC000013372693 KK Annotated Reactive CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@@H](C(C)(C)O)C4)O1 ZINC000013373164 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)O)C4)O1 ZINC000013373165 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4c(oc23)-c2ccc(O)cc2O[C@H](C(C)(C)O)C4)O1 ZINC000013373166 KK Annotated Anodyne C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)O[C@](C)(CCC=C(C)C)C=C4)-c2c(O)cc(O)c(O)c21 ZINC000013373221 KK Annotated Mild CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1c(O)cc(O)c3c1[C@@H](C4)C(C)(C)O3)C=CC(C)(C)O2 ZINC000013373230 KK Annotated Anodyne in-man biogenic CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)-c1c(O)cc(O)c3c1[C@H](C4)C(C)(C)O3)C=CC(C)(C)O2 ZINC000013373231 KK Annotated Anodyne in-man C=C(C)[C@@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)-c2c(O)cc(O)c(O)c21 ZINC000013373232 KK Annotated Mild in-man C=C(C)[C@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)-c2c(O)cc(O)c(O)c21 ZINC000013373233 KK Annotated Mild in-man CC(C)=CCc1c2c(c3oc4c(c(=O)c3c1O)C[C@@H]1c3c(c(O)cc(O)c3-4)OC1(C)C)C=CC(C)(C)O2 ZINC000013373236 KK Annotated Anodyne in-man CC(C)=CCc1c2c(c3oc4c(c(=O)c3c1O)C[C@H]1c3c(c(O)cc(O)c3-4)OC1(C)C)C=CC(C)(C)O2 ZINC000013373237 KK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)Oc2c(O)cc(O)c3c2[C@H]1Cc1c-3oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000013373253 KK Annotated Anodyne CC(C)=CCC[C@]1(C)Oc2c(O)cc(O)c3c2[C@H]1Cc1c-3oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000013373254 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2c(O)cc(O)c3c2[C@@H]1Cc1c-3oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000013373255 KK Annotated Anodyne CC(C)=CCC[C@]1(C)Oc2c(O)cc(O)c3c2[C@@H]1Cc1c-3oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3 ZINC000013373256 KK Annotated Anodyne C=C(C)[C@@H]1Cc2c(oc3cc(O)c(CC=C(C)C)c(O)c3c2=O)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373257 KK Annotated Mild C=C(C)[C@H]1Cc2c(oc3cc(O)c(CC=C(C)C)c(O)c3c2=O)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373258 KK Annotated Mild C=C(C)[C@@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373264 KK Annotated Mild in-man endogenous C=C(C)[C@H]1Cc2c(oc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)-c2c(O)c3c(c(O)c21)OC(C)(C)C=C3 ZINC000013373265 KK Annotated Mild in-man endogenous COc1cc2ccc3cc(Cl)c(O)c4c3c2cc1-c1c(O)ccc(Cl)c1CCc1ccc(O)c-4c1 ZINC000013375751 KK Annotated Bother C/C=C/c1ccc2oc(-c3ccc(Oc4cc(-c5oc6ccc(/C=C/C)cc6c5C)ccc4O)cc3)c(C)c2c1 ZINC000013376943 KK Annotated Anodyne CC(=O)Oc1cc(O)cc(CCCCCCCCCCCCCCCCc2cc(O)cc(OC(C)=O)c2)c1 ZINC000013377942 KK Annotated Anodyne C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3cc(O)c4c(c3CC=C(C)C)C=CC(C)(C)O4)oc12 ZINC000013379921 KK Annotated Mild in-vitro biogenic C=CC(C)(C)c1c(O)cc(O)c2c(=O)c(O)c(-c3cc(O)c4c(c3CC=C(C)C)CCC(C)(C)O4)oc12 ZINC000013379922 KK Annotated Mild COC1=CC(=O)C=C/C1=C1\C=C(c2ccc(O)cc2)c2cc3c(cc2O1)OC[C@@H](c1ccc(OC)cc1O)C3 ZINC000013382929 KK Annotated Mild C=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@@]3(C)CCC(C)=C[C@@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12 ZINC000013384237 KK Annotated Mild C=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@@]3(C)CCC(C)=C[C@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12 ZINC000013384238 KK Annotated Mild C=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@]3(C)CCC(C)=C[C@@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12 ZINC000013384239 KK Annotated Mild C=CC(C)(C)c1c[nH]c2ccc(/C=C/[C@]3(C)CCC(C)=C[C@H]3c3ccc4[nH]cc(C(C)(C)C=C)c4c3)cc12 ZINC000013384240 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000013403694 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000013403699 KK Annotated Mild CN1c2ccccc2[C@@]2(C(=O)n3c4c(c5ccccc53)N(C)c3ccccc3C=C42)c2[nH]c3ccccc3c21 ZINC000013411604 KK Annotated Anodyne COc1ccc(CCN(C)C)cc1[C@@H]1C=C(C)C[C@@H](c2cc(CCN(C)C)ccc2OC)[C@@H]1C(C)(C)O ZINC000013412088 KK Annotated Anodyne C=C(C)[C@H](C/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O)CC/C(=C/CCC1=CC(=O)OC1)C(=O)OC ZINC000013412275 KK Annotated Mild c1cc2c[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2 ZINC000013430328 KK Annotated Anodyne C1=C/CCCCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000013430332 KK Annotated Anodyne in-vivo C1=C/CCCCCC[n+]2cccc(c2)CCCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000013430335 KK Annotated Anodyne c1cc2c[n+](c1)CCCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCC2 ZINC000013430345 KK Annotated Anodyne COc1ccc([C@H]2COc3c(ccc(O)c3Cc3oc4cc(OC)c(O)cc4c3-c3ccccc3)C2)c(O)c1 ZINC000013431327 KK Annotated Anodyne CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c3c(c1O2)C[C@]1(CCC[C@@H](C)O1)OC3=O ZINC000013434282 KK Annotated Anodyne COc1cc2cc(O)ccc2c2c1[C@@]1(CC2=O)C(=O)Oc2cc(O)c3c(c(OC)cc4cc(O)ccc43)c21 ZINC000013434797 KK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)OC)c4C)c4c5[nH]c(cc1n2)c(C)c5CC4)c(C)c3CC ZINC000013434870 KK Annotated Bother Cc1cc2c(C(C)C)c(O)c(O)c3c2c(c1-c1c(C)cc2c(C(C)C)c(O)c(O)c4c2c1OC4=O)OC3=O ZINC000013435906 KK Annotated Clean O=C(O)C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000013436754 KK Annotated Anodyne O=C(O)C[C@H](NS(=O)(=O)c1cccc(-c2cccc(Nc3nc4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000013436757 KK Annotated Anodyne O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccc(Cl)c(Cl)c1)C1CCNCC1 ZINC000013437305 KK Annotated Anodyne O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1cc(Cl)cc(Cl)c1)C1CCNCC1 ZINC000013437310 KK Annotated Anodyne COc1cc(NC(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1 ZINC000013439788 KK Annotated Anodyne COc1cc(OCCc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1OC ZINC000013439807 KK Annotated Anodyne COc1cc(CNCc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1OC ZINC000013439809 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N(CC3CCCCC3)CC3CCCCC3)c2C(=O)c2ccccc2Cl)C1 ZINC000013442738 KK Annotated Anodyne CCCSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 ZINC000013443277 KK Annotated Mild O=S(=O)(c1ccc2ccccc2c1)N1C[C@H](S)C[C@H]1c1nnc(SCC2CC2)n1-c1ccccc1 ZINC000013443280 KK Annotated Mild CC(C)CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccccc1 ZINC000013443283 KK Annotated Mild CCCCCN(CCCCC)C(=O)[C@@H](C[C@H]1C(=O)Nc2ccccc21)NC(=O)c1cnc2ccccc2c1 ZINC000013447091 KK Annotated Anodyne CC(C)(C)OC(=O)COCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448482 KK Annotated Anodyne O=C(O)CS(=O)(=O)CCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448487 KK Annotated Anodyne CS(=O)(=O)NC(=O)CCCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 ZINC000013448496 KK Annotated Anodyne C=CCCCCCCOCCCCCCO[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000013450331 KK Annotated Mild C=CCCCCCCOCCCCCCO[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000013450337 KK Annotated Mild C=CCCCCCCOCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000013450342 KK Annotated Mild C=CCCCCCCOCCCCCCO[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000013450347 KK Annotated Mild CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCCCCCOCCCc2ccccc2)C1 ZINC000013450352 KK Annotated Anodyne CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@@H](OCCCCCCOCCCc2ccccc2)C1 ZINC000013450356 KK Annotated Anodyne CCCCCN(CCCCC)CCCOc1ccc(S(=O)(=O)c2c(C(C)C)cn3ccccc23)cc1 ZINC000013451510 KK Annotated Anodyne COc1ccc(CNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000013451522 KK Annotated Anodyne COc1ccc(NCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000013451527 KK Annotated Anodyne COc1cccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)c1 ZINC000013451533 KK Annotated Anodyne COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1 ZINC000013451539 KK Annotated Anodyne CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1 ZINC000013452618 KK Annotated Anodyne COc1nc2c(SCCCc3cc4c(cc3O)C[C@H](CCc3ccccc3)O4)cccc2cc1C(=O)O ZINC000013453347 KK Annotated Anodyne COc1nc2c(SCCCc3cc4c(cc3O)C[C@@H](CCc3ccccc3)O4)cccc2cc1C(=O)O ZINC000013453351 KK Annotated Anodyne CCCCOC(=O)Oc1cc(C)cc2c1C(=O)c1c(OC(=O)OCCCC)cc(OCCC)cc1C2=O ZINC000013454776 KK Annotated Clean CCCCCCc1ccc2c(c1OC(=O)OCCCC)C(=O)c1c(OC(=O)OCCCC)cccc1C2=O ZINC000013454779 KK Annotated Clean COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455671 KK Annotated Anodyne COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(Cc3ccccn3)C1)C(C)(C)O2 ZINC000013455674 KK Annotated Anodyne COC1=C(C)C(=O)C([C@@H](c2c(O)c(C)c(O)c3c2O[C@H](c2ccccc2)CC3=O)C(C)C)=C(O)C1(C)C ZINC000013459569 KK Annotated Mild Cc1c(O)c2c(c([C@H](CC(C)C)C3=C(O)C(C)(C)C(=O)C(C)(C)C3=O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000013459675 KK Annotated Mild COC(=O)c1c2c(c3ccccc3c1O)O[C@](C)(c1cc3c(C(=O)OC)c(O)c4ccccc4c3o1)CC2 ZINC000013461062 KK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4=O)c3c(c(O)c12)[C@@H](C)O[C@@H](C)C3 ZINC000013461517 KK Annotated Clean COc1cccc2c(-c3ccc4c(c3O)C(=O)c3c(O)cc(C)cc3C4=O)c3c(c(O)c12)[C@@H](C)O[C@H](C)C3 ZINC000013461519 KK Annotated Clean CC(C)(C)c1cc2c(cc1O)OC=C(C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2 ZINC000013470032 KK Annotated Anodyne O=C(O)c1cccc(-c2ccc(NCc3cncn3Cc3ccc([N+](=O)[O-])cc3)cc2-c2ccccc2)c1 ZINC000013471847 KK Annotated Bother COC(=O)c1cccc(-c2ccc(NCc3cncn3Cc3ccc([N+](=O)[O-])cc3)cc2-c2ccccc2)c1 ZINC000013471849 KK Annotated Bother CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000013474985 KK Annotated Mild CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000013474986 KK Annotated Mild CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 ZINC000013474989 KK Annotated Mild CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 ZINC000013474990 KK Annotated Mild CN1CCCCCCCCN(C)CCCCCCNCc2ccc(cc2)-c2ccc(cc2)CNCCCCCC1 ZINC000013475064 KK Annotated Anodyne c1ccc(Cn2nnc(CNc3ccccc3)c2-c2c(CNc3ccccc3)nnn2Cc2ccccc2)cc1 ZINC000013479064 KK Annotated Anodyne O=C1NCc2c(-c3ccccc3Cl)cc(OC3CCNCC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487119 KK Annotated Anodyne O=C1NCc2c(-c3ccccc3Cl)cc(NC3CCNCC3)cc2N1c1c(Cl)cccc1Cl ZINC000013487121 KK Annotated Anodyne COC(=O)c1sccc1-c1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 ZINC000013487534 KK Annotated Clean COc1cc(CCCN(/C(S)=N/CCc2ccccc2)C(c2ccccc2)c2ccccc2)ccc1O ZINC000013487694 KK Annotated Mild CCCC[C@@H](C(=O)O)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(Cc2ccccc2)c1=O ZINC000013488126 KK Annotated Anodyne CCCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCCC ZINC000013488990 KK Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489488 KK Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCC2 ZINC000013489489 KK Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CO2 ZINC000013489492 KK Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CO2 ZINC000013489493 KK Annotated Anodyne Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489494 KK Annotated Anodyne Cn1cncc1[C@](O)(c1ccc(Cl)cc1)c1cc2c3c(c1)c(-c1cccc(Cl)c1)cc(=O)n3CCO2 ZINC000013489495 KK Annotated Anodyne CN1C(=O)CO[C@@H](c2cccc(Cl)c2)c2cc([C@@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000013489498 KK Annotated Anodyne CN1C(=O)CO[C@H](c2cccc(Cl)c2)c2cc([C@@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000013489499 KK Annotated Anodyne CN1C(=O)CO[C@@H](c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000013489500 KK Annotated Anodyne CN1C(=O)CO[C@H](c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000013489501 KK Annotated Anodyne O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccccc1F)Nc1ccccc1 ZINC000013489679 KK Annotated Mild O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1cccc(F)c1)Nc1ccccc1 ZINC000013489680 KK Annotated Mild O=C(NC[C@@H]1Cc2ccccc2CN1/C(S)=N/C[C@H]1CCCN1Cc1ccc(F)cc1)Nc1ccccc1 ZINC000013489681 KK Annotated Mild CCCc1c[nH]c2c(Cl)cc3c(c12)[C@@H](C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncccc1CC3 ZINC000013490764 KK Annotated Anodyne Cc1[nH]c(=O)c2c(ccc3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1CCCN1CCOCC1 ZINC000013494047 KK Annotated Anodyne Cc1[nH]c(=O)c2c(cc(-c3ccc(F)nc3F)c3nc(Nc4c(Cl)cccc4Cl)n(C)c32)c1C ZINC000013494049 KK Annotated Anodyne COCCN(C)Cc1c(C(C)(C)C)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12 ZINC000013518096 KK Annotated Anodyne Cc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000013519915 KK Annotated Mild Cc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000013519920 KK Annotated Mild Cc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000013519927 KK Annotated Mild Cc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000013519933 KK Annotated Mild Oc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000013519945 KK Annotated Mild Oc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000013519949 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccnc2)c1)C(F)(F)F ZINC000013519961 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccnc2)c1)C(F)(F)F ZINC000013519965 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCC2CCCCC2)c1)C(F)(F)F ZINC000013519969 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCC2CCCCC2)c1)C(F)(F)F ZINC000013519975 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2)c1)C(F)(F)F ZINC000013519979 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2)c1)C(F)(F)F ZINC000013519983 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCCC2)c1)C(F)(F)F ZINC000013520002 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OC2CCCCC2)c1)C(F)(F)F ZINC000013520008 KK Annotated Mild Cc1ccc(S(=O)(=O)N(CCCCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1 ZINC000013522126 KK Annotated Bother Cc1ccc(S(=O)(=O)N(CCCCCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1 ZINC000013522130 KK Annotated Bother CC(C)CNc1cc(NS(=O)(=O)c2cccc(-c3cnc4ccccc4c3)c2)cc2c(Cl)[nH]nc12 ZINC000013531385 KK Annotated Anodyne Cc1n[nH]c2c(NCC(C)C)cc(NS(=O)(=O)c3cccc(-c4cccc(C(F)(F)F)c4)c3)cc12 ZINC000013531406 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2CC2CCCCC2)cc1-c1ccccc1)C(=O)O ZINC000013533176 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(C)cc2)cc1-c1ccccc1)C(=O)O ZINC000013533184 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2cccc(C)c2)cc1-c1ccccc1)C(=O)O ZINC000013533189 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccccc2C)cc1-c1ccccc1)C(=O)O ZINC000013533195 KK Annotated Anodyne CC(C)(C)n1nc(-c2ccc(Cl)cc2Cl)c(C(=O)c2ccc(S(C)(=O)=O)cc2Cl)c1O ZINC000013535054 KK Annotated Anodyne in-vitro COc1cc2cc(CO)cc(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000013535297 KK Annotated Anodyne CC[C@@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000013545625 KK Annotated Anodyne CC[C@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000013545627 KK Annotated Anodyne NCCCCCCN(CCCCCCN)Cc1ccc(CN(CCCCCCN)CCCCCCN)cc1 ZINC000013553210 KK Annotated Anodyne N=c1cc2c(nn1CCCCCCCCCCC(=O)Nc1ccc(-c3ccccc3)nn1)-c1ccccc1CC2 ZINC000013553531 KK Annotated Anodyne COc1cc(NC(=O)N[C@H](C)CN2[C@H]3CC[C@@H]2CC(Cc2ccc(Cl)cc2)C3)cc(OC)c1OC ZINC000013553781 KK Annotated Anodyne CC(C)(C)c1ccc(C2=Cc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3C3=NCCCN23)cc1 ZINC000013555260 KK Annotated Clean CC(C)(C)c1ccc(C2=Cc3ccc(NC(=O)Nc4ccc(Cl)cc4Cl)cc3C3=NCCCN23)cc1 ZINC000013555270 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(CC4CCCCC4)ccc32)cc1)OCC ZINC000013556687 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556743 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556746 KK Annotated Anodyne CCCOP(=O)(OCCC)c1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556748 KK Annotated Anodyne CCCOP(=O)(OCCC)c1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1 ZINC000013556751 KK Annotated Anodyne CCOP(=O)(Cc1ccccc1NC(=O)[C@@H]1SCC(=O)c2cc(C3CCCCC3)ccc21)OCC ZINC000013556758 KK Annotated Anodyne CCOP(=O)(Cc1ccccc1NC(=O)[C@H]1SCC(=O)c2cc(C3CCCCC3)ccc21)OCC ZINC000013556760 KK Annotated Anodyne CCOP(=O)(CCc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1)OCC ZINC000013556762 KK Annotated Anodyne CCOP(=O)(CCc1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1)OCC ZINC000013556764 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C(=O)[C@H](C)S2)cc1)OCC ZINC000013556809 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@@H](C)S2)OCO4)cc1)OCC ZINC000013556819 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)cc1)OCC ZINC000013556820 KK Annotated Anodyne CCOP(=O)(Cc1ccccc1NC(=O)[C@H]1Cc2cc3c(cc2C(=O)[C@H](C)S1)OCO3)OCC ZINC000013556822 KK Annotated Anodyne CCOP(=O)(Cc1cccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)c1)OCC ZINC000013556824 KK Annotated Anodyne CCOP(=O)(CCc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)cc1)OCC ZINC000013556827 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](CC)S2)OCO4)cc1)OCC ZINC000013556832 KK Annotated Anodyne O=C(O)/C=N/O[C@H](c1ccc(OCc2nc3ccccc3s2)cc1Br)C1CCCCC1 ZINC000013557841 KK Annotated Mild O=C(O)/C=N/O[C@@H](c1ccc(OCc2nc3ccccc3s2)cc1Br)C1CCCCC1 ZINC000013557842 KK Annotated Mild CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000013558230 KK Annotated Reactive CCCOC(=O)CCCC=C(c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(C)c(OC)c(C(=O)OC)c1 ZINC000013558583 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)OC(C)C)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000013558584 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)N2CCCCC2)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000013558586 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCSC)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000013558587 KK Annotated Anodyne COC(=O)c1cc(C(=CCCNC(=O)OCC(C)C)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000013558590 KK Annotated Anodyne O=C(Nc1ccc2c(/C=C/c3ccc4ccc(Cl)cc4n3)cccc2c1)NS(=O)(=O)c1ccccc1 ZINC000013560092 KK Annotated Anodyne Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCC[n+]1c(N)n(Cc2ccccc2)c2ccccc21 ZINC000013560560 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](Cc1ccc(C)o1)C(=O)NC1CCCCC1 ZINC000013581712 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](Cc1ccc(C)o1)C(=O)NC1CCCCC1 ZINC000013581714 KK Annotated Anodyne CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)s1 ZINC000013584648 KK Annotated Reactive CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)s1 ZINC000013584650 KK Annotated Reactive CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CN(C)C(=O)OC(C)(C)C)[nH]c(=O)c12 ZINC000013585128 KK Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCN(C)C(=O)OC(C)(C)C)[nH]c(=O)c12 ZINC000013585132 KK Annotated Anodyne CCOC(=O)Cc1cccc(Cc2nc3c(c(CC)nn3-c3c(Cl)cc(Cl)cc3Cl)c(=O)[nH]2)c1 ZINC000013585177 KK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(Br)cc3)[nH]c(=O)c12 ZINC000013585191 KK Annotated Anodyne Cc1nnc2cc(-c3cccc(Cl)c3)c3cc([C@@](N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12 ZINC000013587838 KK Annotated Anodyne Cc1nnc2cc(-c3cccc(Cl)c3)c3cc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)ccc3n12 ZINC000013587839 KK Annotated Anodyne Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000013587842 KK Annotated Anodyne Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12 ZINC000013587843 KK Annotated Anodyne N#Cc1ccc2cc1Oc1ccc(CCC3CCCCC3)c(c1)CN1CCN(CC1=O)Cc1cncn1C2 ZINC000013589250 KK Annotated Mild CCCCN(C)C(=O)CCCCCCCCCCCS[C@@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000013600968 KK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCCCCCS[C@H](Cc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000013600970 KK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013600995 KK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013600998 KK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCCCCCS[C@@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013601002 KK Annotated Anodyne CCCCN(C)C(=O)CCCCCCCCCCCS[C@H](Cc1ccc(O)cc1)c1ccc(OC)cc1 ZINC000013601004 KK Annotated Anodyne CSc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(O)c5ccccc5nc34)cc2)cc1 ZINC000013603176 KK Annotated Bother Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1-c1cc2c(C(=O)O)c(O)c(O)c(C(C)C)c2cc1C ZINC000013603190 KK Annotated Clean O=C(Nc1c2ccccc2nc2ccccc12)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605283 KK Annotated Clean O=C(Nc1c2ccccc2nc2ccccc12)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000013605285 KK Annotated Clean O=C(Nc1ccc(Cl)cc1Cl)C1=C(O)N(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc21 ZINC000013605550 KK Annotated Anodyne C[C@H](c1ccc(N2CCN(c3ccccc3)CC2)cc1)N(O)C(=O)c1ccccc1-c1ccccc1C(=O)O ZINC000013606328 KK Annotated Clean C[C@@H](c1ccc(N2CCN(c3ccccc3)CC2)cc1)N(O)C(=O)c1ccccc1-c1ccccc1C(=O)O ZINC000013606330 KK Annotated Clean CC(=O)N1c2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@@](C)(c2ccccc2)CC1(C)C ZINC000013611430 KK Annotated Anodyne CC(=O)N1c2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)cc2[C@](C)(c2ccccc2)CC1(C)C ZINC000013611433 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)CN(C[C@@H](O)Cn1c3ccccc3c3cc(I)ccc31)C2 ZINC000013633753 KK Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000013635027 KK Annotated Anodyne CC(C)CN1CCC(c2nc(-c3ccc4nc(N)n(S(=O)(=O)C(C)C)c4c3)c(-c3ccccc3)[nH]2)CC1 ZINC000013641303 KK Annotated Clean Nc1nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc2n1S(=O)(=O)C1CCCC1 ZINC000013641306 KK Annotated Anodyne O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1Cc1ccccc1 ZINC000013642254 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3cc(F)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646515 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3cc(C#N)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646521 KK Annotated Mild CC(C)N1CCC(NC(=O)c2cc3c(Cl)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646523 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3cccc(Cl)c3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646527 KK Annotated Anodyne Cc1ccc(C)c2c1cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1 ZINC000013646535 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2c(F)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646537 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2c(Cl)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000013646540 KK Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3c(C)c(C)c(C)c(C)c3C)=NO2)=C1c1ccc(OC)cc1 ZINC000013648873 KK Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3c(C)c(C)c(C)c(C)c3C)=NO2)=C1c1ccc(OC)cc1 ZINC000013648875 KK Annotated Anodyne C[N+](C)(CC(=O)c1ccc(-c2ccc(C(=O)C[N+](C)(C)CC3CCCCC3)cc2)cc1)CC1CCCCC1 ZINC000013649940 KK Annotated Mild C/C=C/CNc1nc(NC/C=C/C)nc(N2CCC(NC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n1 ZINC000013650728 KK Annotated Anodyne CCN(CC)c1ccc(N2CCN(C[C@@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651316 KK Annotated Anodyne CCN(CC)c1ccc(N2CCN(C[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)nc1N(CC)CC ZINC000013651317 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCC[C@@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000013652326 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCC[C@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000013652327 KK Annotated Anodyne O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000013656743 KK Annotated Anodyne O=C(NCc1ccccc1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000013656958 KK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@H](Cc1ccccc1)N(CC1(c2ccccc2)CC1)N=O)N=O)N=O ZINC000013659556 KK Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660526 KK Annotated Anodyne O=C(c1ccoc1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000013660528 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660535 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660537 KK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@@]32CC(c3ccccc3)=NO2)s1 ZINC000013660539 KK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@]32CC(c3ccccc3)=NO2)s1 ZINC000013660542 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000013660550 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000013660553 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2cccnc2)=NO1 ZINC000013660556 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 ZINC000013660558 KK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013660995 KK Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013660998 KK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc2c(c1)OCO2)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013661039 KK Annotated Anodyne CCN(CC)CC[C@H](c1ccc2c(c1)OCO2)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013661042 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@@H](CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000013661177 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@H](CCN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000013661179 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCC[C@@H](C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000013661192 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCC[C@@H](C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000013661194 KK Annotated Anodyne COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000013661215 KK Annotated Anodyne COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000013661217 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCCC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000013661228 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCCC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000013661230 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN(CC)CC)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000013661232 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN(CC)CC)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000013661234 KK Annotated Anodyne COc1ccc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 ZINC000013661255 KK Annotated Anodyne COc1ccc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1 ZINC000013661258 KK Annotated Anodyne CCN(CC)C(=O)C[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013661592 KK Annotated Anodyne CCN(CC)C(=O)C[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013661595 KK Annotated Anodyne O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013661687 KK Annotated Anodyne O=C1CCN(CCc2ccccc2)CCN1[C@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013661704 KK Annotated Anodyne CC(=O)Nc1ccc(SC[C@H](Cc2ccccc2)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013661810 KK Annotated Anodyne COc1ccc(-c2c([C@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013661880 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013661938 KK Annotated Anodyne Cc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013661941 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000013661944 KK Annotated Anodyne Cc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013661947 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013661986 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013661988 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000013661990 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013661992 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)c1 ZINC000013661994 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)c1 ZINC000013661997 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)c1 ZINC000013661999 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)c1 ZINC000013662001 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013662008 KK Annotated Anodyne Cc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013662011 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000013662014 KK Annotated Anodyne Cc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5cc(C)ccc5F)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000013662017 KK Annotated Anodyne O=C(O)COc1cccc2c(CCSC(c3ccccc3)(c3ccccc3)C(F)(F)F)c(CO)oc12 ZINC000013671562 KK Annotated Anodyne CCCCC1(CCCC)CS(=O)(=O)c2c(OC)cc(N(C)C)cc2[C@@H](c2ccc(OC)cc2)[C@H]1O ZINC000013673003 KK Annotated Anodyne O=C(O)c1cc(NC(=O)c2cc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)cc(C(=O)O)c1 ZINC000013674664 KK Annotated Anodyne O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4ccccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 ZINC000013674675 KK Annotated Anodyne O=C(O)c1cc(NC(=O)c2[nH]c(-c3ccc4[nH]ccc4c3)nc2CC2CCCCCC2)cc(C(=O)O)c1 ZINC000013674682 KK Annotated Anodyne Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(F)c(C(=O)O)c2)[nH]1 ZINC000013674713 KK Annotated Anodyne Cc1ccccc1-c1nc(CCC23CC4CC(CC(C4)C2)C3)c(C(=O)Nc2ccc(N(C)C)c(C(=O)O)c2)[nH]1 ZINC000013674715 KK Annotated Anodyne Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c(C(=O)Nc3ccc(C)c(C(=O)O)c3)[nH]2)c(C)c1 ZINC000013674725 KK Annotated Anodyne Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O ZINC000013674746 KK Annotated Anodyne O=C1N(c2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000013676261 KK Annotated Anodyne Cc1c(O)nc(S(=O)(=O)Cc2ccc(Br)cc2)nc1Cc1c(Cl)cccc1Cl ZINC000013677595 KK Annotated Anodyne C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000013677741 KK Annotated Clean O=C1[C@H](c2ccccc2)N(c2ccc(Br)cc2)C(=S)N1c1ccc(Br)cc1 ZINC000013680174 KK Annotated Anodyne O=C1[C@@H](c2ccccc2)N(c2ccc(Br)cc2)C(=S)N1c1ccc(Br)cc1 ZINC000013680176 KK Annotated Anodyne C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CCCCC3)C=C2C1=O ZINC000013687477 KK Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(C3CCCCC3)C=C2C1=O ZINC000013687482 KK Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(Cc3ccccc3)C=C2C1=O ZINC000013687497 KK Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(Cc3ccccc3)C=C2C1=O ZINC000013687502 KK Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(c3ccccc3)C=C2C1=O ZINC000013687544 KK Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(c3ccccc3)C=C2C1=O ZINC000013687548 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CCCC1 ZINC000013687581 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CCCC1 ZINC000013687586 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CC(C)C ZINC000013687590 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CC(C)C ZINC000013687595 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CC1CC1 ZINC000013687640 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CC1CC1 ZINC000013687644 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCCC1 ZINC000013687649 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCCC1 ZINC000013687654 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CC(C)C ZINC000013687658 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CC(C)C ZINC000013687662 KK Annotated Mild CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C)C(=O)/C=C/CC(C)(C)N ZINC000013687665 KK Annotated Anodyne CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccco1 ZINC000013687694 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccco1 ZINC000013687699 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1c1ccccc1 ZINC000013687704 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1c1ccccc1 ZINC000013687707 KK Annotated Mild O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cc(C(=O)NCc4ccccc4)ccc31)c1ccccc1CO2 ZINC000013727079 KK Annotated Anodyne COc1ccc(C(C(=O)NCCCN2[C@@H](C)CCC[C@@H]2C)c2ccc(OC)c3ccccc23)c2ccccc12 ZINC000013734004 KK Annotated Anodyne COc1ccc(C(C(=O)NCCCN2[C@@H](C)CCC[C@H]2C)c2ccc(OC)c3ccccc23)c2ccccc12 ZINC000013734010 KK Annotated Anodyne COc1ccc(C(C(=O)NCCCN2[C@H](C)CCC[C@H]2C)c2ccc(OC)c3ccccc23)c2ccccc12 ZINC000013734013 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 ZINC000013737550 KK Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740059 KK Annotated Anodyne CC(C)NCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740060 KK Annotated Anodyne CCCNCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000013740061 KK Annotated Anodyne Cn1c(SSc2c(C(=O)c3ccco3)c3ccccc3n2C)c(C(=O)c2ccco2)c2ccccc21 ZINC000013740086 KK Annotated Reactive Nc1c2c([n+](CCCCCCCCCC[n+]3c4c(c(N)c5ccccc53)CCCC4)c3ccccc13)CCCC2 ZINC000013740389 KK Annotated Anodyne Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C(=O)/C=C/c6ccccc6)cc35)CCC4)CC2)c1 ZINC000013740431 KK Annotated Mild CCCC[C@@H]1CCc2cc(C(=O)C(C)C)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000013740444 KK Annotated Anodyne CCCC[C@H]1CCc2cc(C(=O)C(C)C)cc3c(CCN4CCN(c5cc(C)ccn5)CC4)c(C)n1c23 ZINC000013740445 KK Annotated Anodyne CSc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000013740482 KK Annotated Bother CCCC(=O)c1cnc2c(OCCCN(C)CCCc3ccccc3)cccc2c1Nc1ccccc1C ZINC000013742239 KK Annotated Anodyne CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2CC2CCCCC2)n1Cc1ccc(C(=O)OC)cc1 ZINC000013743386 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744243 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000013744248 KK Annotated Anodyne CN(C(=O)Oc1c(C(C)(C)C)cccc1C(C)(C)C)S(=O)(=O)NC(c1ccccc1)c1ccccc1 ZINC000013747481 KK Annotated Anodyne CC1(CCCCn2cc(-c3ccccc3)cn2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000013755460 KK Annotated Clean Cn1cnc(S(=O)(=O)Nc2cccc([C@H](c3c(O)cc(C(CC4CC4)CC4CC4)oc3=O)C3CC3)c2)c1 ZINC000013756567 KK Annotated Anodyne CC(C)N1CCC(C[C@@H](O)CCc2ccc3ccccc3c2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1 ZINC000013756946 KK Annotated Anodyne CC(C)N1CCC(C[C@H](O)CCc2ccc3ccccc3c2C(=O)NC(C)(C)C)=C(C(=O)NC(C)(C)C)C1 ZINC000013756948 KK Annotated Anodyne CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccc1CC[C@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000013756954 KK Annotated Anodyne CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccc1CC[C@@H](O)Cc1ccc(C(C)(C)C)cc1C(=O)NC(C)(C)C ZINC000013756956 KK Annotated Anodyne CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccc1CC[C@H](O)Cc1ccc(C(C)(C)C)cc1C(=O)NC(C)(C)C ZINC000013756958 KK Annotated Anodyne FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3nnc(S)[nH]3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1 ZINC000013757043 KK Annotated Anodyne CC/C(=C\c1cc(CC(=O)N(C)CCc2ccccc2)c2cccc(OCc3ccccc3)c2c1)C(=O)O ZINC000013758706 KK Annotated Anodyne O=C(c1cc(-c2ccoc2)c2ccc(OCc3cccc(C4(O)CCOCC4)c3)cc2c1)c1nccs1 ZINC000013759179 KK Annotated Anodyne O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CCOCC4)c3)ccc1c2-c1ccccc1Cl ZINC000013759197 KK Annotated Anodyne CC(C)[C@@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761695 KK Annotated Anodyne CC(C)[C@H](c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761696 KK Annotated Anodyne CCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761699 KK Annotated Mild CCC[C@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761700 KK Annotated Mild CCCC[C@@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761701 KK Annotated Mild CCCC[C@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761702 KK Annotated Mild CC(C)[C@@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761703 KK Annotated Mild CC(C)[C@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761704 KK Annotated Mild CC(C)C[C@@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761705 KK Annotated Mild CC(C)C[C@H](c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761706 KK Annotated Mild CC(C)C[C@@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761713 KK Annotated Anodyne CC(C)C[C@H](c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000013761714 KK Annotated Anodyne CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C=CC(C)(C)C)[C@H]2SC1 ZINC000013765842 KK Annotated Anodyne Cc1nc2cnccc2n1CCCCCC(=O)c1cn(C(=O)N(C)C)c2cccc(-c3ccc(F)cc3)c12 ZINC000013776701 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781682 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Cc1ccc2c(c1)OCO2 ZINC000013781683 KK Annotated Anodyne COc1ccc(OCCN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781688 KK Annotated Anodyne COc1ccc(OCCN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000013781689 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781694 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccccc1 ZINC000013781695 KK Annotated Anodyne O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@@H]2CCc3ccccc3C2)cc1)C(=O)O ZINC000013782266 KK Annotated Clean O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@H]2CCc3ccccc3C2)cc1)C(=O)O ZINC000013782267 KK Annotated Clean O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@@H]2CO[C@@H](C3CCCCC3)O2)cc1)C(=O)O ZINC000013782285 KK Annotated Clean O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@H]2CO[C@@H](C3CCCCC3)O2)cc1)C(=O)O ZINC000013782286 KK Annotated Clean O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@@H]2CO[C@H](C3CCCCC3)O2)cc1)C(=O)O ZINC000013782287 KK Annotated Clean O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OC[C@H]2CO[C@H](C3CCCCC3)O2)cc1)C(=O)O ZINC000013782288 KK Annotated Clean CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000013783762 KK Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4c(=O)c5ccccc5c5ccccc54)c3)c2cc1OC ZINC000013795877 KK Annotated Bother COc1cc2ccc(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000013795885 KK Annotated Anodyne COc1ccc(COC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000013799591 KK Annotated Anodyne COc1ccc(COC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000013799594 KK Annotated Anodyne CCCCc1cc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)cc1COc1cccnc1 ZINC000013800685 KK Annotated Anodyne CCCCCc1cc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)cc1COc1cccnc1 ZINC000013800695 KK Annotated Anodyne CCCC[C@H]1CN(Oc2cccc(C(F)(F)F)c2)C(=O)CN1Cc1cncn1Cc1ccc(C#N)cc1 ZINC000013800812 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(CN[C@H](CO)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000013802291 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN[C@@H](CO)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000013802293 KK Annotated Anodyne COC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000013802299 KK Annotated Anodyne CC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000013802304 KK Annotated Anodyne CCCC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000013802305 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(C)=O)cc1-c1ccccc1C)C(=O)O ZINC000013802306 KK Annotated Anodyne O=C(Nc1ccc2c(c1)N(Cc1c[nH]cn1)CCN(C(=O)c1cccc3ccccc13)C2)OC1CCCCC1 ZINC000013803058 KK Annotated Anodyne O=C(Nc1ccc2c(c1)N(Cc1c[nH]cn1)CCN(C(=O)c1cccc3ccccc13)C2)c1ccccc1 ZINC000013803060 KK Annotated Anodyne O=C(Nc1ccc2c(c1)N(Cc1c[nH]cn1)CCN(C(=O)c1cccc3ccccc13)C2)NC1CCCCC1 ZINC000013803062 KK Annotated Anodyne Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21 ZINC000013807210 KK Annotated Anodyne Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCSCC4)cc2)CCO3)cc1 ZINC000013808552 KK Annotated Bother Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCC(=O)CC4)cc2)CCO3)cc1 ZINC000013808554 KK Annotated Bother CCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(C[N+](C)(C)C4CCOCC4)cc2)CCO3)cc1 ZINC000013808562 KK Annotated Bother C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)cc1Cl)C(F)(F)F ZINC000013808739 KK Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1Cl)C(F)(F)F ZINC000013808741 KK Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1Cl)C(F)(F)F ZINC000013808743 KK Annotated Anodyne C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1Cl)C(F)(F)F ZINC000013808745 KK Annotated Anodyne Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C)cc(C)c1/C=C/c1cccc(C(=O)O)c1 ZINC000013809556 KK Annotated Anodyne Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1/C=C/c1cccc(C(=O)O)c1 ZINC000013809557 KK Annotated Anodyne FC(F)(F)c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812902 KK Annotated Anodyne FC(F)(F)c1ccc([C@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812920 KK Annotated Anodyne FC(F)(F)c1ccc([C@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000013812955 KK Annotated Anodyne FC(F)(F)c1ccc([C@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000013812967 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000013812978 KK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000013812981 KK Annotated Mild COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@@H](CCN1CCOCC1)c1ccc2c(c1)OCO2 ZINC000013813536 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@H](CCN1CCOCC1)c1ccc2c(c1)OCO2 ZINC000013813539 KK Annotated Anodyne Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccccc2)c1 ZINC000013813762 KK Annotated Anodyne aggregator COC(=O)[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2OC)C1(C)C ZINC000013815420 KK Annotated Mild C[C@@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCc3c[nH]c4ccccc34)C=C2C1=O ZINC000013816955 KK Annotated Mild C[C@]1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CCc3c[nH]c4ccccc34)C=C2C1=O ZINC000013816958 KK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)Cc2cccs2)CC3)c(C)c1 ZINC000013817465 KK Annotated Anodyne CCCCS(=O)(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3 ZINC000013817511 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)NCc2ccco2)CC3)c(C)c1 ZINC000013817557 KK Annotated Anodyne CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCC1 ZINC000013817843 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCC1 ZINC000013817846 KK Annotated Mild O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1 ZINC000013818270 KK Annotated Anodyne C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000013819868 KK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000013819870 KK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000013819872 KK Annotated Mild C=C(C)[C@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000013819874 KK Annotated Mild O=C(Oc1ccccc1)N1CCN(CCC/C(O)=N/[C@@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000013820537 KK Annotated Mild O=C(Oc1ccccc1)N1CCN(CCC/C(O)=N/[C@H]2c3ccccc3CSc3ccccc32)CC1 ZINC000013820540 KK Annotated Mild CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000013820790 KK Annotated Bother CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000013820792 KK Annotated Bother CN(CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1)CCc1ccccc1 ZINC000013821735 KK Annotated Mild CN(CC#CCCC1(C(O)(c2ccccc2)c2ccccc2)SCCCS1)CCCc1ccccc1 ZINC000013821737 KK Annotated Mild CN(CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1)CCCc1ccccc1 ZINC000013821757 KK Annotated Mild O[C@@]1(C2(CCC#CCN3CCCCC3)SCCCS2)c2ccccc2Sc2ccc(Cl)cc21 ZINC000013821779 KK Annotated Mild O[C@]1(C2(CCC#CCN3CCCCC3)SCCCS2)c2ccccc2Sc2ccc(Cl)cc21 ZINC000013821781 KK Annotated Mild CCOC(=O)CCC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(CC)c2nc3ccccc3nc21 ZINC000013822029 KK Annotated Clean CCCCCNC(=O)Nc1c(NS(C)(=O)=O)cccc1OCCCn1cnc(-c2ccccc2)c1C ZINC000013827630 KK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2NS(C)(=O)=O)c1 ZINC000013827749 KK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2cc(OC)c(OC)c(OC)c2)c1 ZINC000013827774 KK Annotated Anodyne CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CS(C)(=O)=O ZINC000013827797 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013829692 KK Annotated Anodyne COc1ccc(-c2c([C@H]3[C@@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013829694 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013829696 KK Annotated Anodyne COc1ccc(-c2c([C@H]3[C@H]4C=CC[C@@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013829698 KK Annotated Anodyne O=C1CCN(CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)c1ccccc1 ZINC000013829801 KK Annotated Anodyne CC(=O)Nc1ccc(SC[C@@H](Cc2ccccc2)N2CCN(CCc3ccccc3)CCC2=O)cc1 ZINC000013829946 KK Annotated Anodyne O=C1CCN(CCc2ccccc2)CCN1[C@@H](CSc1ccc(Br)cc1)Cc1ccccc1 ZINC000013829991 KK Annotated Anodyne C=C1CCN([C@H](Cc2ccccc2)C(=O)NCc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc21 ZINC000013830260 KK Annotated Mild CCN(CC)C(=O)C[C@@H](c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013830294 KK Annotated Anodyne CCN(CC)C(=O)C[C@H](c1ccc(OC)cc1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000013830296 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013830386 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013830388 KK Annotated Anodyne COc1ccc(-c2c([C@H]3[C@H]4C=CCC[C@@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000013830390 KK Annotated Anodyne COc1cc([C@@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000013830814 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000013830816 KK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000013831435 KK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000013831436 KK Annotated Anodyne COC(=O)CCCc1c(SSc2c(CCCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 ZINC000013832605 KK Annotated Reactive COc1ccc(CCCCCCOc2ccc(C[C@@H](O)c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 ZINC000013833518 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000013834869 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(N)=O)=C[C@]34C)[C@]1(C)CC2 ZINC000013834872 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(N)=O)=C[C@]34C)[C@]1(C)CC2 ZINC000013834873 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 ZINC000013834874 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 ZINC000013834875 KK Annotated Reactive CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)c1cccnc1 ZINC000013835878 KK Annotated Anodyne CC(=O)Oc1c(Cl)c(C)c(C(=O)O)c(OC(C)=O)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835879 KK Annotated Anodyne CCOC(=O)COc1c(Cl)c(C)c(C=O)c(OC)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835882 KK Annotated Anodyne CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)CCCC(=O)O ZINC000013835885 KK Annotated Anodyne CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)c1ccncc1 ZINC000013835886 KK Annotated Anodyne COc1c(C=O)c(C)c(Cl)c(OC(=O)c2cccnc2)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000013835888 KK Annotated Anodyne C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)c1cccnc1)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835905 KK Annotated Anodyne C/C(=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)c1ccncc1)CC/C=C(\C)[C@@H]1CC(=O)C(C)(C)O1 ZINC000013835906 KK Annotated Anodyne COC(=O)CCC/C=C(/c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000013836078 KK Annotated Anodyne CN(C(=O)[C@@H]1CCc2c(Br)sc3cccc1c23)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000013860898 KK Annotated Anodyne CN(C(=O)[C@H]1CCc2c(Br)sc3cccc1c23)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000013860899 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(C#N)cc2)c(-c2ccc(F)cc2)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1C(C)C ZINC000013861024 KK Annotated Mild CCCCCCN(CCCCCC)C(=O)/C=C/c1ccc(-c2nc[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000013863073 KK Annotated Anodyne Cc1ccc(-n2nc(-c3ccccc3)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2O)cc1C ZINC000013864617 KK Annotated Clean NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000013878868 KK Annotated Bother NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000013878869 KK Annotated Bother CCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000013879111 KK Annotated Anodyne O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3ccccc3OC(F)(F)F)ccc(O)c12 ZINC000013879130 KK Annotated Clean CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000013890285 KK Annotated Reactive CCOP(=O)(OCC)C(C[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1)P(=O)(OCC)OCC ZINC000013896638 KK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1)P(=O)(OCC)OCC ZINC000013896640 KK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1)P(=O)(OCC)OCC ZINC000013896643 KK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](C)(=O)O)cc1)c1ccc(C)cc1 ZINC000013898010 KK Annotated Anodyne NC(=O)CN[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000013900850 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCc2ccc(O)cc2)C3=O)C[C@H]1O ZINC000013903711 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CCCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000013912111 KK Annotated Anodyne CCCC[C@@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000013977600 KK Annotated Anodyne CCCC[C@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000013977602 KK Annotated Anodyne N#Cc1cccc(-c2ccc([C@@H](CCNC3CCCC3)CNC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000013981142 KK Annotated Mild C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C(=O)OCC(Cl)(Cl)Cl)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000013983247 KK Annotated Anodyne O=C(CSC(=S)N(Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1Cl ZINC000013983599 KK Annotated Anodyne COc1cc(/C=C2\C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)ccc1OCCCn1ccnc1 ZINC000135607842 KK Annotated Mild CC(=O)O[C@@H]1[C@@H](O)[C@H]2[C@@H](C[C@H]3O[C@]34C[C@@H](O)CC[C@]24C)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@]21C ZINC000135613957 KK Annotated Anodyne CC(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C)COS(=O)(=O)O ZINC000135621076 KK Annotated Anodyne CC(=O)OC[C@]12C[C@@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)[C@@H]1C[C@]1(C)[C@H](C)C(C)C ZINC000135625753 KK Annotated Anodyne CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C(=O)O)C[C@@H](O)[C@@H]3[C@@]2(C)[C@@H](O)C1 ZINC000135626116 KK Annotated Anodyne CC(=O)O[C@@H]1C[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](OC(C)=O)[C@H]1NC(=O)C=C(C)C ZINC000135626251 KK Annotated Anodyne CC(=O)O[C@@H]1CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H]5C[C@]5(C)[C@H](C)C(C)C)[C@@]4(C(=O)O)C[C@@H](O)[C@@H]3[C@@]2(C)[C@@H](O)C1 ZINC000135627277 KK Annotated Anodyne CC1=CC[C@H](C(C)C)[C@H]2C[C@H](OC(=O)C(C)(C)C)[C@@H](O)/C=C\C[C@@H](OC(=O)/C=C/c3cn(C)cn3)C[C@@H]12 ZINC000135647295 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000135652470 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](N(C)C(=O)C=C(C)C)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]12 ZINC000135655166 KK Annotated Anodyne CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](CC[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5O)C[C@@](C)(O1)C(C)(C)O2 ZINC000135657510 KK Annotated Mild CC(=O)O[C@H]1C(NC(=O)c2ccccc2)=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]12 ZINC000135659737 KK Annotated Anodyne COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@@H]2[C@]2([C@H](O)C[C@@H](C)[C@@H]3C[C@H]3C)CO2)C1 ZINC000135663264 KK Annotated Anodyne CCCCC/C=C/[C@H]1[C@H](C(=O)NCC(C)C)[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]1C(=O)N1CCCCC1 ZINC000135671562 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]2(C)[C@H]1[C@@](C)(O)CCCC(C)C ZINC000135674036 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000135679112 KK Annotated Mild C[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCC/C=C/Cl ZINC000135684506 KK Annotated Reactive COc1ccc(O[C@@H]2/C=C\C[C@H](O)C[C@H]3[C@@H](C[C@@H]2OC(=O)/C=C/c2cn(C)cn2)C(C)=CC[C@@H]3C(C)C)cc1 ZINC000135689411 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1C=C4 ZINC000135695058 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC[C@H]1C ZINC000135716919 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC[C@@H]1C ZINC000135716947 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3C[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H](C(C)(C)O)O[C@H]3CC[C@]2(C)[C@@]51C ZINC000135768860 KK Annotated Mild CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000135793106 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000135793662 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000135799144 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000135799650 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000135799691 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000135799735 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000135799784 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000135799837 KK Annotated Anodyne CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@@H](O)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 ZINC000135799882 KK Annotated Reactive C=C1CC[C@H](O)[C@@](C)(CCC=C(C)C)[C@@H]1CC[C@@]1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)Cc1cc(OS(=O)(=O)O)ccc1O ZINC000135804225 KK Annotated Mild CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)C5=C(CC[C@H]4[C@]3(C)CC[C@H]2[C@@]1(C)CC)[C@H](C)OC5=O ZINC000135809356 KK Annotated Anodyne CC(=O)O[C@@H](CC=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](OC(C)=O)CC[C@]21C ZINC000135842862 KK Annotated Mild CCCCCCCCCCCCCC[C@H](O)CCCOC1=CC(=O)C=C(CC2=CC(=O)C=C(OCCCCC)C2=O)C1=O ZINC000135853625 KK Annotated Mild CCCCCCCCCCCCCO[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 ZINC000135856796 KK Annotated Mild CC(C)(C)C1=C/C(=C/N[C@H]2CCCC[C@H]2N/C=C2\C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)C(=O)C(C(C)(C)C)=C1 ZINC000135871391 KK Annotated Mild CC(C)(C)C1=C/C(=C\N[C@H]2CCCC[C@H]2N/C=C2\C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)C(=O)C(C(C)(C)C)=C1 ZINC000135871481 KK Annotated Mild CC(C)(C)C1=C/C(=C/N[C@@H]2CCCC[C@@H]2N/C=C2\C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)C(=O)C(C(C)(C)C)=C1 ZINC000135871521 KK Annotated Mild CC(C)=CCc1c(O)ccc([C@@]23Oc4cc(O)ccc4[C@@H]4CC(C)=C[C@@H](c5c(O)cc(-c6cc7ccc(O)cc7o6)cc5O2)[C@H]43)c1O ZINC000135896393 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(CC/C=C\CCCCN[C@@H]43)C5)nccc12 ZINC000135919252 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)C(=O)O2)[C@@]2(C)C[C@H](O)C3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C ZINC000135975842 KK Annotated Anodyne CC(C)=CC[C@@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)/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@]21C ZINC000135985669 KK Annotated Mild C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000136000387 KK Annotated Reactive COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(OC)c(OC)c2)c2n1CCc1c-2cc(OC)c(OC)c1O ZINC000136021821 KK Annotated Anodyne CC(C)=CCC[C@]1(C)O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]5Cc6c(O)ccc(O)c6[C@@]5(C)CC[C@H]43)[C@@]2(C)CC[C@H]1O ZINC000136030676 KK Annotated Anodyne CC1=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]2[C@H](C)[C@@H](O)CCC2(C)C)C(C)(C)CCC1=O ZINC000136039043 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2oc3cc(OC(C)=O)c4oc5cc(OC(C)=O)cc(OC(C)=O)c5oc4c3oc2c1 ZINC000136042198 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](COC(=O)CC(C)C)O[C@H](O)[C@@H]1NC(C)=O ZINC000136056467 KK Annotated Mild CCO[C@@]1(C)OC[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@H]1[C@]2(C)C(=O)C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]12C ZINC000136064511 KK Annotated Anodyne C/C1=C/C=C\C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/CN(C)C)Cc2nc(cs2)[C@@H](C)C[C@@H](N)CC(=O)O[C@@H](C)C1 ZINC000136066782 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(CC=C(C)C)C5=O)C3=O)C=CC(C)(C)O2 ZINC000136083226 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(\C)CO)C5=O)C3=O)C=CC(C)(C)O2 ZINC000136083354 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000136083411 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@H]3C[C@H]4C(C)(C)O[C@](CC=C(C)C)(C3=O)[C@]14O2 ZINC000136083453 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H](C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(\C)C=O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000136083633 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@]14[C@H]5C[C@H](C[C@H]1C3=O)C(=O)[C@@]4(C/C=C(\C)C=O)OC5(C)C)C=CC(C)(C)O2 ZINC000136083673 KK Annotated Anodyne Cc1c(Br)cc([C@@]2(C)CC[C@H]3C[C@]32C)c(O)c1-c1c(C)c(Br)cc([C@]2(C)CC[C@@H]3C[C@@]32C)c1O ZINC000136088091 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1cc2c(cc1O)C1=C(C(=O)C3=C(NCCS3(=O)=O)C1=O)[C@@H](/C=C(\C)CCC=C(C)C)O2 ZINC000136088878 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)CCC1(C)C ZINC000136091949 KK Annotated Anodyne CCCCCCCC(=O)OCCC[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CC[C@@H]4OC4(C)C)CC[C@]31C)OC2(C)C ZINC000136095796 KK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(Nc2ccc(O)c(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)c2)=CC1=O ZINC000136101289 KK Annotated Mild C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(Br)cc1 ZINC000136118565 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(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 ZINC000136126770 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(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 ZINC000136126863 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(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 ZINC000136127091 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000136133994 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)CC[C@H]2C(=C)CCCC2(C)C)[C@H]1Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000136159071 KK Annotated Mild COC(=O)c1[nH]cc(-c2c[nH]c3ccc(Br)cc23)c1-c1c[nH]c2ccc(Br)cc12 ZINC000136173202 KK Annotated Anodyne CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)/C(C)=C/C=C/[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C/C(=O)O1)=C\c1coc(C)n1 ZINC000136215687 KK Annotated Anodyne C/C1=C\C=C\CC[C@H](C)CNC(=O)/C=C/C=C/[C@H](C)[C@@H](O[C@H]2C[C@](C)(O)[C@H](O)[C@@H](C)O2)C/C=C(\C)C1 ZINC000136216280 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)[C@@H](O)CC1(C)C ZINC000136233893 KK Annotated Anodyne CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]21C ZINC000136233939 KK Annotated Mild CC(C)CCCCCCCCCCCC(=O)O[C@@H](C[C@@H](O)c1coc(Cc2cnco2)n1)[C@H](O)[C@H](C)O ZINC000136235197 KK Annotated Anodyne CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 ZINC000136246110 KK Annotated Reactive CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@](C)(C(=O)C[C@@H]3[C@@]4(C)CCC[C@](C)(CC)[C@@H]4CC[C@@]23C)[C@@H](C=O)[C@@H]1C(C)=O ZINC000136246317 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CC[C@@]4(O)C(=C3)C=CC(=O)OC4(C)C)[C@]12C ZINC000136252670 KK Annotated Anodyne C=C(/C=C/C=C(/COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C ZINC000136254651 KK Annotated Reactive CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000136263631 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000136263680 KK Annotated Mild in-vitro COc1ccc(-n2c(SCC(=O)NN/C=C3\C(=O)C=Cc4ccccc43)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000136266559 KK Annotated Reactive COC(=O)[C@]12CC[C@@H](C)C(C)=C1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000136282018 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)CCCC2(C)C ZINC000136290929 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]([C@H](C)O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000136291935 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000136297753 KK Annotated Anodyne C=C[C@H](O)C#CC#C[C@H](/C=C\CCCCCCC)OC(C)(C)[C@H](O)COc1c2occc2c(OC)c2ccc(=O)oc12 ZINC000136299621 KK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000136305783 KK Annotated Mild O=C(N[C@@H](Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1 ZINC000136310980 KK Annotated Anodyne Cc1c(C(=O)N[C@H](C(=O)O)c2ccc(OCc3ccccc3)cc2)oc2cc(-c3ccc(Cl)cc3)ccc12 ZINC000136311033 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)cc1)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O ZINC000136311090 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1 ZINC000136311203 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000136317066 KK Annotated Anodyne CN(C(=O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1)[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O ZINC000136317120 KK Annotated Anodyne Cc1ccc(COc2ccc(C[C@H](NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1 ZINC000136317182 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)O)c1cn2ccc(-c3ccc(Cl)cc3)cc2n1 ZINC000136317234 KK Annotated Anodyne CCCCC/C=C/C=C/C(=O)O[C@H]1[C@H](O)C[C@H](c2ccc3c(c2O)C(=O)c2c(O)cc4cc(C)cc(O)c4c2C3=O)O[C@@H]1C ZINC000136323644 KK Annotated Clean CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c(O)ccc(OS(=O)(=O)O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000136336087 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000136336329 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@@]4(C)CO)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000136371751 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](O)/C(C)=C/[C@@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000136395548 KK Annotated Anodyne O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)N[C@]1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000136415455 KK Annotated Anodyne O=C(Cc1ccc(OCc2ccc(F)cc2)cc1)N[C@@]1(C(=O)O)Cc2ccc(-c3ccc(Cl)cc3)cc2C1 ZINC000136415488 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)CCC1(C)C ZINC000136424382 KK Annotated Anodyne O=C(/C(=C(\O)Nc1ccc(Cl)cc1)[n+]1cccc(-c2ccc(Cl)cc2)n1)c1ccc(Br)cc1 ZINC000136424771 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H](OC)O[C@H]1CC(C[C@@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@@]32C)=C1C=O ZINC000136425212 KK Annotated Reactive CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000136427854 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(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 ZINC000136432571 KK Annotated Mild C=C(C)[C@H](O)CC1=C2O[C@@H](C(C)(C)O)C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000136443929 KK Annotated Mild COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@@H]2[C@@](O)(CCl)[C@H](O)C[C@@H](C)[C@@H]2C[C@H]2C)C1 ZINC000136445572 KK Annotated Unstable C=C[C@]1(C)CC[C@@]2(C)c3cc4c(c(C)c3CC[C@@H]2C1)O[C@H]1c2c(cc(O)c(O)c2C)[C@]2(C)CC[C@@](C)(C=C)C[C@H]2[C@@H]1O4 ZINC000136448667 KK Annotated Mild C=C1Cc2ccc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@]1(O)CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C ZINC000136461402 KK Annotated Mild CC(=O)O[C@H]1[C@H](N(C)C(=O)c2ccccc2)CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12 ZINC000136468210 KK Annotated Anodyne CCCCN(CCCC)CCOc1ccc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)cc1 ZINC000136513942 KK Annotated Anodyne CC(C)=CCOC(C)(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4Cc5c([nH]c6ccccc56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O ZINC000136523546 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]2CCCc3ccccc32)cc1OC ZINC000136530036 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]2CCCc3ccccc32)cc1OC ZINC000136530120 KK Annotated Anodyne CC(=O)OC[C@]12CCC(=O)OC(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)CC[C@@]12C ZINC000136555667 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](OO)[C@H]2O[C@]24[C@@H]2[C@@H](C)[C@H](C)CC[C@]2(C)CC[C@]43C)C1(C)C ZINC000136558185 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](O)[C@H](OC=O)[C@]24C[C@@]23CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]42)C1(C)C ZINC000136567215 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@H](O)C[C@@H](O)/C=C\[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CC[C@H](O)[C@H]1C ZINC000136570283 KK Annotated Anodyne C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)Cc4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000136575116 KK Annotated Mild C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000136579854 KK Annotated Reactive C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)c3cc(O)c(C)cc3C(=O)O1)O2 ZINC000136588032 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@H](O)/C=C/[C@H](O)CCC/C=C/C(=O)O1 ZINC000136637719 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)O[C@@H](C)[C@H]1OC(C)=O ZINC000136647357 KK Annotated Anodyne CC(=O)OC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C3=CC(C)(C)CC[C@]3(C(=O)O)CC[C@]21C ZINC000136657469 KK Annotated Anodyne CC1=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)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000136657871 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000136662814 KK Annotated Mild in-vitro biogenic C/C(C(=O)O)=C1\CC[C@H]2[C@]3(C)CC[C@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@@]3(C)CC[C@@]2(C)[C@@H]1CCC(=O)O ZINC000136669747 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)CCc2ccc(O)c(O)c2)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 ZINC000136690683 KK Annotated Clean COc1ccc(CN2C[C@H](OC)[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)C2)cc1 ZINC000136694457 KK 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=C/C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)C1=O ZINC000136699090 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@]1(C)O ZINC000136712091 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)c2ccccc2)cc2c1Nc1c(C(=O)O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cccc1N2CC=C(C)C ZINC000136715420 KK Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc(Br)c1O ZINC000136724672 KK Annotated Anodyne CCOc1cc([C@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)cc(Br)c1O ZINC000136724719 KK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc(Br)c1O ZINC000136724758 KK Annotated Anodyne CCOc1cc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)cc(Br)c1O ZINC000136724817 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@](C)([C@@H](C=O)[C@@H]1C(C)=O)[C@H](O)C[C@@H]1[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]21C ZINC000136730774 KK Annotated Mild CC1(C)[C@@H](OC(=O)c2ccccc2)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 ZINC000136738962 KK Annotated Anodyne CC1(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 ZINC000136749311 KK Annotated Reactive COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N13 ZINC000136749771 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H](C[C@@H](O)c1coc(Cc2cnco2)n1)[C@H](O)[C@H](C)O ZINC000136751816 KK Annotated Mild CC1=CC=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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000136755346 KK Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(=O)[C@@H](C)CC)[C@H]12)C3(C)C ZINC000136760982 KK Annotated Mild in-vitro biogenic CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000136780354 KK Annotated Anodyne O=[N+]([O-])c1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000136780703 KK Annotated Bother CCc1c(C)c2c(c(C)c1C1=C/C(=C3/C=C(c4c(C)c5c(c(C)c4CC)[C@@](C)(O)C[C@H]5C)NC3=O)C(=O)N1)[C@@H](C)C[C@@]2(C)O ZINC000136790565 KK Annotated Clean Cc1cc2c(cc1C)[n+](=O)c(C(=O)C/C(=N/OCCCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl)c(C)n2O ZINC000136796525 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000136798900 KK Annotated Anodyne C=C(c1cc(-c2cc3cc(/C=C/C)ccc3o2)c(OC)cc1O)c1cc(/C=C/C)ccc1OC(=O)c1ccc(O)cc1 ZINC000136801101 KK Annotated Anodyne C=CC(C)(C)c1c2c3c(c4ccc(=O)oc14)O[C@](C)(/C=C\c1cc4ccc(=O)oc4cc1O)C[C@@H]3CC(C)(C)O2 ZINC000136814209 KK Annotated Mild COc1cc(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2O)c(C)c(C)c1C(=O)O ZINC000136817795 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000136823217 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000136823325 KK Annotated Mild C=C(/C=C/C=C(/COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000136828244 KK Annotated Reactive COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]2N(C)CC3 ZINC000136828288 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7CC[C@H](O)CCCN7[C@@H]54)C6)nccc3c2c1 ZINC000136834366 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C ZINC000136841482 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)N(C)CC4 ZINC000136870887 KK Annotated Anodyne O=C(Oc1ccccc1)N1[C@H]2C3[C@H]4N(C(=O)Oc5ccccc5)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000136875018 KK Annotated Anodyne CCCCCCCCCCC/C=C/CCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000136894032 KK Annotated Mild CCC(=O)O[C@H]([C@@H](C)[C@H](O)/C(C)=C/[C@@H](C)c1oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c1C)[C@@H](C)c1oc(CC)c(C)c(=O)c1C ZINC000136894332 KK Annotated Anodyne O=C(Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000136916073 KK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(Nc2ccc(O)c(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)c2)C1=O ZINC000136916089 KK Annotated Mild O=C(Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@H]1CCCN1C(=O)Cc1ccccc1 ZINC000136916119 KK 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@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000136972546 KK Annotated Anodyne COc1cc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)ccc1O ZINC000136972669 KK Annotated Anodyne CCCCCCCCCCCCC/C=C1/C(=O)O[C@@]2(C)O[C@@H](CCCCCCCCCCCCC)O[C@@H]12 ZINC000137029380 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000137036241 KK Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1C[C@@H](OC(C)=O)[C@@H](C)C2=O)OC ZINC000137037309 KK Annotated Mild CC(=O)O[C@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@]32C)[C@@H](OC(C)=O)O1 ZINC000137043892 KK Annotated Anodyne O=C1[C@@H]2CCCCCCN2[C@H]2[C@@]3(O)C=C(c4nccc5c4[nH]c4ccc(O)cc45)[C@H]4CCN(CCCC/C=C\CC3)C[C@@]142 ZINC000137049507 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@]4(CCC[C@@]32C)C[C@@H]4C)[C@@H]2CCC3=C(C(=O)O[C@H]3C)[C@@]12C ZINC000137051010 KK Annotated Anodyne COC(C)(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)\C=C\C=C(C)\C=C\CC(C)(C)OC ZINC000137065368 KK Annotated Reactive C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[S@](=O)[C@@]1(CC[C@H]2[C@@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000137078592 KK Annotated Anodyne COc1c(Br)c2c(c(OC)c1OC)-c1c(c(Br)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000137080148 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O ZINC000137085103 KK Annotated Anodyne CC(=O)O[C@H]1CC(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@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000137085286 KK Annotated Anodyne C=C1C/C=C\[C@@](C)(O)CC[C@H]2[C@H]1CO[C@@]2(/C=C/C=C(C)C)COC(=O)CCCCCCCCCCCCCCC ZINC000137112988 KK Annotated Mild CC(=O)O[C@@H](C)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](OC(=O)C[C@H](C)O)C[C@@H]12 ZINC000137114869 KK Annotated Anodyne CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CC[C@H](O)C(C)(C)O)CC[C@]21C ZINC000137115236 KK Annotated Mild C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)CCC[C@]21C ZINC000137125360 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000137134917 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000137141196 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000137161610 KK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1cc2ccccc2c2ccccc12)c1ccnc2ccc(OC)cc12 ZINC000137168032 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C\C#CC(=O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000137168182 KK Annotated Mild C/C(C#Cc1c(C)ccc(C)c1C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000137191345 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C ZINC000137195539 KK Annotated Anodyne OC([C@@H]1CCC/C1=N/N=C1/CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl ZINC000137204324 KK Annotated Mild CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000137205743 KK Annotated Clean COc1cc(C(=O)Oc2c(O)cc3c(c2C)C(=O)C=C2[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]23C)ccc1O ZINC000137205891 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccc7c(c56)[C@@H]5[C@@H](C(C)(C)O)C[C@@H]5C7(C)C)[C@@]43C)C2=C[C@H]1O ZINC000137211169 KK Annotated Mild CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000137215451 KK Annotated Clean C=C1[C@@H]2C[C@@H]3[C@H](C(C)C)[C@@H](OC(=O)C[C@@](C)(O)C[C@H](C)CC)C[C@@]3(C)C[C@H]2C(C)=CC[C@@H]2[C@@H](C)OC(=O)[C@H](O)[C@]12O ZINC000137217217 KK Annotated Mild in-vitro C=C1[C@@H]2C[C@@H]3[C@H](C(C)C)[C@@H](OC(=O)C[C@@](C)(O)C[C@@H](C)CC)C[C@@]3(C)C[C@H]2C(C)=CC[C@@H]2[C@@H](C)OC(=O)[C@H](O)[C@]12O ZINC000137217266 KK Annotated Mild in-vitro C=C1[C@@H]2C[C@@H]3[C@H](C(C)C)[C@@H](OC(=O)C[C@](C)(O)C[C@H](C)CC)C[C@@]3(C)C[C@H]2C(C)=CC[C@@H]2[C@@H](C)OC(=O)[C@H](O)[C@]12O ZINC000137217313 KK Annotated Mild in-vitro CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C ZINC000137217355 KK Annotated Mild C=C1[C@@H]2C[C@@H]3[C@H](C(C)C)[C@@H](OC(=O)C[C@](C)(O)C[C@@H](C)CC)C[C@@]3(C)C[C@H]2C(C)=CC[C@@H]2[C@@H](C)OC(=O)[C@H](O)[C@]12O ZINC000137217358 KK Annotated Mild in-vitro Cc1ccc(S(=O)(=O)Nc2nccnc2-c2ccc(CN(C)c3ccc(OC(F)(F)F)cc3)cc2)cc1 ZINC000137219942 KK Annotated Clean CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](Oc1cc3c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]31C)[C@H]2O ZINC000137220259 KK Annotated Anodyne CC(C)[C@@H](C)[C@H](OC(=O)c1ccccc1)C(=O)[C@@H](C)[C@H]1CC[C@H]2C3=C([C@H](O)C[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C3=O ZINC000137225296 KK Annotated Mild O=S(=O)(Nc1nccnc1-c1ccc(CN2CCOc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000137226075 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1cccc(F)c1 ZINC000137226137 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(Cn2c(-c3ccccn3)cc3ccccc32)cc1)c1ccccc1C(F)(F)F ZINC000137226210 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(Cn2ccc3cc(F)ccc32)cc1)c1ccccc1C(F)(F)F ZINC000137226271 KK Annotated Anodyne C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cccc(/C=C/C(C)(C)O)c56)[C@@]43C)C2=C[C@H]1O ZINC000137231619 KK 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=C\C(=O)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000137231776 KK Annotated Mild O=S(=O)(Nc1nccnc1-c1ccc(COc2cccc(Cl)c2)cc1)c1ccccc1C(F)(F)F ZINC000137238331 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2Cl)cc1)c1ccc(F)cc1F ZINC000137238394 KK Annotated Anodyne O=S(=O)(Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1)c1ccccc1C(F)(F)F ZINC000137238677 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@H]1c1ccco1 ZINC000137239616 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C([C@@H](CC(=O)OC)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000137240194 KK Annotated Mild COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c(c(c1[C@H](C(C)=O)C(C)=C7)c23)c54)N[C@@H]1CCCC[C@@H]1N6 ZINC000137242575 KK Annotated Anodyne investigational COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c(c(c1[C@H](C(C)=O)C(C)=C7)c23)c54)N[C@H]1CCCC[C@@H]1N6 ZINC000137242671 KK Annotated Anodyne investigational O=S(=O)(Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1)c1ccccc1Cl ZINC000137244589 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3C[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C ZINC000137250165 KK Annotated Mild C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC1=CC(=O)C=C(Nc2ccc(O)c(C[C@@]3(C)[C@H](C)CC[C@]4(C)C(=C)CCC[C@@H]43)c2)C1=O ZINC000137256596 KK Annotated Mild C=C1CC/C=C(\C)[C@@H](O)CC(=O)[C@H](C)CC(=O)C[C@H]2CC[C@@H](O2)[C@H](/C=C/C=C(\C)[C@@H](O)C(=C)CCCC)OC(=O)C1 ZINC000137259484 KK Annotated Mild CCCCCCN(CCCCCC)Cc1ccc2nc3ccc(CN(CCCCCC)CCCCCC)cc3nc2c1 ZINC000137267878 KK Annotated Bother CCCCCCCN(CCCCCCC)Cc1ccc2nc3ccc(CN(CCCCCCC)CCCCCCC)cc3nc2c1 ZINC000137267932 KK Annotated Mild Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000137268240 KK Annotated Anodyne CC1=CCCC(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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000137273610 KK Annotated Anodyne CC(C)(O)/C=C/c1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000137274743 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@H]1O ZINC000137281281 KK Annotated Mild COC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)cc(O)c(C)c3O)c(C)c2OC)c(C)c1OC ZINC000137285526 KK Annotated Anodyne COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(/C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000137300127 KK Annotated Mild COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N/O[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@@H]2O)c1 ZINC000137301468 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H](OC)O[C@H]1CC(C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)=C1C=O ZINC000137309382 KK Annotated Reactive C[C@H]1CC[C@@H]2OC(C)(C)CCC[C@@]2(C)[C@]1(O)CCCC[C@]1(C)C[C@@]2(O)CC[C@@H]1C(C)(C)[C@@H]2Cc1cc(OS(=O)(=O)O)ccc1O ZINC000137321142 KK Annotated Anodyne CO[C@H]1CN(Cc2ccc(C)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000137336185 KK Annotated Mild CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c(OS(=O)(=O)O)ccc(O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000137339768 KK 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=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000137343678 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@H](CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C(=O)[C@H]1C(=O)C(C)C ZINC000137343786 KK Annotated Anodyne C/C=C(\C)[C@@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)[C@@H](C)c1ccc(CCC)c(=O)o1 ZINC000137349589 KK Annotated Anodyne COC1=C(OC)C(=O)[C@@]23COc4c5c(cc(c42)[C@H](OC(=O)/C=C/c2ccccc2)[C@@H](C)[C@@H](C)CC3=C1)OCO5 ZINC000137351933 KK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C(C(C)=O)=C[C@@]3(C)[C@@H](OC(=O)C[C@H](C)OC(C)=O)C[C@H]21 ZINC000137352996 KK Annotated Mild CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000137356748 KK Annotated Mild CC1(C)O[C@]2(C=Cc3cc4ccoc4c(OC[C@H]4OC4(C)C)c3O2)O[C@H]1COc1c2occc2cc2ccc(=O)oc12 ZINC000137361362 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(cc2C(C)C)CC[C@H]2C(C)(C)CCC[C@]32C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000137376865 KK Annotated Anodyne O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000137402782 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H](Br)C(C)(C)[C@]2(Cc3cc(Br)ccc3O2)[C@]1(C)Br ZINC000137419469 KK Annotated Reactive CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(=C\OS(=O)(=O)O)CC[C@@H](O)/C(C)=C/Cc1cc(O)ccc1O ZINC000137423797 KK Annotated Anodyne CO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C(=O)O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 ZINC000137430601 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@@]21COC(C)=O)C(C)C ZINC000137432857 KK Annotated Mild CO[C@H]1CN(Cc2ccccc2)C[C@H](OC[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)O[C@@H]1C ZINC000137441610 KK Annotated Mild CC(=O)OC/C(C)=C/CC[C@@]1(C)[C@H]2CC[C@](C)(O2)[C@@H]1CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO ZINC000137469370 KK Annotated Anodyne Cc1cc(C2=CC(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)=NS(=O)(=O)N2Cc2ccccc2)ccc1Cl ZINC000137471868 KK Annotated Anodyne Cc1cc(C2=CC(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)=NS(=O)(=O)N2Cc2ccccc2)ccc1Cl ZINC000137471945 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)CC1(C[C@@H](CC=C(C)C)C(=C)C)C(=O)C(CC=C(C)C)=C(OC)C(C(=O)c2ccccc2)=C1OC ZINC000137484980 KK Annotated Mild CC(C)(C)c1ccc(CCCC(CCCc2ccc(C(C)(C)C)cc2)NCCNCCNCCN)cc1 ZINC000137485653 KK Annotated Anodyne Cc1cc(CN2CCC[C@H]2C(O)(c2ccccc2)c2ccccc2)c(O)c(CN2CCC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c1 ZINC000137493490 KK Annotated Clean CCCCC[C@@H]1[C@@H](C(=O)N2CCCCC2)C=C[C@@H](c2ccc3c(c2)OCO3)[C@H]1/C=C/C(=O)N1CCCC1 ZINC000137502043 KK Annotated Anodyne C=C(C(=O)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]3CC[C@]12COC(C)=O)C(C)C ZINC000137516290 KK Annotated Mild CC(=O)OC/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 ZINC000137516456 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)C ZINC000137516528 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2C[C@]45[C@H]3C[C@@H]3O[C@]6(C[C@@H](C)C(C)(C)O6)[C@](C)(O[C@H]4O2)[C@@H]35)C1 ZINC000137547450 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2C[C@]45[C@H]3C[C@@H]3O[C@@]6(C[C@@H](C)C(C)(C)O6)[C@](C)(O[C@H]4O2)[C@@H]35)C1 ZINC000137547547 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2C[C@]45[C@H]3C[C@@H]3O[C@@]6(C[C@H](C)C(C)(C)O6)[C@](C)(O[C@H]4O2)[C@@H]35)C1 ZINC000137547626 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@H]3C[C@H](N(C)C(=O)c4ccccc4)CC[C@@]32C)[C@@H]2CC[C@H]([C@H](C)N(C)C)[C@]21C ZINC000137556621 KK Annotated Anodyne O=C([C@@H]1[C@H](C(=O)N2CCCCC2)C=C[C@@H](c2ccc3c(c2)OCO3)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000137563819 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)C[C@H](O)[C@]4(C)[C@H]3[C@H](O)C[C@@]21C(=O)O)C(C)C ZINC000137583384 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1cc(O)cc2c1O[C@@H](/C=C(\C)CCC=C(C)C)C1=C2C(=O)C2=C(C1=O)S(=O)(=O)CCN2 ZINC000137584211 KK Annotated Mild O=C([C@@H]1[C@@H](C(=O)N2CCCCC2)[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000137587419 KK Annotated Anodyne CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(/C)[C@@H](O)CC[C@@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000137587613 KK Annotated Anodyne in-man CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000137592695 KK Annotated Mild COc1ccc2nc(NC(=O)C(=O)[C@H](C(=O)c3ccccc3-c3ccccc3)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619082 KK Annotated Anodyne COc1ccc2nc(NC(=O)C(=O)[C@@H](C(=O)c3ccccc3-c3ccccc3)[C@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619175 KK Annotated Anodyne COc1ccc2nc(NC(=O)C(=O)[C@H](C(=O)c3ccccc3-c3ccccc3)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619266 KK Annotated Anodyne COc1ccc2nc(NC(=O)C(=O)[C@@H](C(=O)c3ccccc3-c3ccccc3)[C@@H]3OC(=O)c4ccccc43)sc2c1 ZINC000137619347 KK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000137660297 KK Annotated Anodyne CSc1nc(Br)nc2ncn([C@@H]3C[C@@H](Oc4ccc(C)cc4)[C@H](COc4ccc(C)cc4)O3)c12 ZINC000137664046 KK Annotated Anodyne C=C1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@@]1(C)OC(C)=O ZINC000137670252 KK Annotated Mild COc1cc(O)c(OC)c(Oc2cc(-c3c(OC)c(O)c(O)c4oc5ccccc5c(=O)c34)c(OC)cc2O)c1 ZINC000137677878 KK Annotated Clean CCCCCCCC(=O)OCCC[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]31C)OC2(C)C ZINC000137694876 KK 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=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1=O ZINC000137698837 KK Annotated Mild CC[C@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@@H]3C=C(C(C)C)[C@@]54C(=O)O)C[C@@H]21 ZINC000137713375 KK Annotated Mild CC[C@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@@H]3C=C(C(C)C)[C@@]54C(=O)O)C[C@@H]21 ZINC000137713464 KK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000137714124 KK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@H]4[C@H](OC[C@@H]4C(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000137714210 KK Annotated Mild COC(=O)CC[C@]1(C)C(c2cc3c(o2)[C@H](C)[C@@H](CC(=O)OC)C(C)(C)[C@H]3OC)=CC(=O)O[C@H]1c1ccoc1 ZINC000137758373 KK Annotated Anodyne COC(=O)C[C@@H]1[C@@H](C)c2oc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)cc2[C@H](OC)C1(C)C ZINC000137766528 KK Annotated Anodyne COc1ccc(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1 ZINC000137775457 KK Annotated Anodyne CCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]2CCCc3ccccc32)cc1 ZINC000137783630 KK Annotated Anodyne CCCCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]2CCCc3ccccc32)cc1 ZINC000137783770 KK Annotated Anodyne CC1=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H](c2cccc(C(F)(F)F)c2)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000137806299 KK Annotated Mild CC1=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H](c2cccc(C(F)(F)F)c2)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000137806447 KK Annotated Mild C[C@@H](c1ccc(F)cc1CCCC(=O)O)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000137819884 KK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H](C(=O)O)[C@@H]3CC[C@]45O[C@@]3(C[C@@H]12)OC(=O)[C@@H]4[C@@]1(C)CCCC(C)(C)[C@@H]1CC5=O ZINC000137824998 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/CC(C)(C)[C@H](OC(C)=O)C[C@@H](OC(=O)c3ccccc3)/C(C)=C/[C@@H]12 ZINC000137833179 KK Annotated Mild COc1ccc2c3c(OC)cn4c(c-3nc2c1)CCC[C@H]4c1ncc(OC)c2c1[nH]c1cc(OC)ccc12 ZINC000137835300 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)CC(C)C)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000137861105 KK Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=C(I)C(=O)/C1=C/C=C/CCCC(=O)OC ZINC000137863305 KK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(=O)C[C@H](C)O)[C@@H](C(C)=O)C[C@@]3(C)[C@@H](OC(C)=O)C[C@H]21 ZINC000137871077 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@@](C)([C@H]3CC[C@H]4O[C@@H]([C@@]5(C)OC(C)(C)[C@H](Br)C[C@@H]5O)CC[C@]4(C)O3)O2)O1 ZINC000137871268 KK Annotated Reactive CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000137875460 KK Annotated Mild N=c1ccn(CCCC=C(CCCCn2ccc(=N)c3ccccc32)CCCCn2ccc(=N)c3ccccc32)c2ccccc12 ZINC000137880552 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137888864 KK Annotated Anodyne C[C@]12C[C@H](N3CCN(C(=O)[C@@H]4CCCN4C(=O)c4ccc5ccccc5c4)CC3)[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O ZINC000137889066 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cccc7ccccc67)CC5)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000137889759 KK Annotated Anodyne CC(C)[C@@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000137894221 KK Annotated Mild C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NCc3ccccc3)c2)c1)c1ccc2c(c1)OCOC2 ZINC000137899857 KK Annotated Anodyne CC1=C[C@@H](c2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000137914453 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)OC)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000137916028 KK Annotated Mild CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)C[C@@H]1CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)O)[C@@H](O)CC[C@]2(C)[C@@]31C ZINC000137929633 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000137941038 KK Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@@]1(C)OC(C)=O ZINC000137944585 KK Annotated Anodyne O=C([C@H]1C=C[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000137948577 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/[C@@H](OC)/C(C)=C/C=C/C(C)(C)OC)[C@@]3(C)CC[C@H]21 ZINC000137957910 KK Annotated Mild CC1(C)C=CC[C@@]2(C)O[C@H]3CC[C@H]([C@@](C)(O)CC[C@@H]4OC(C)(C)[C@H](Br)CC[C@]4(C)O)O[C@]3(C)CC[C@@H]2O1 ZINC000137962409 KK Annotated Reactive C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000137963414 KK Annotated Anodyne CCCCCCCC/C=C\C[C@H]1CC(=O)NCCCN(C(=O)[C@@H](C)CC)CCCCCN(C(=O)[C@@H](C)CC)CCCN1 ZINC000137968082 KK Annotated Mild CC1=C[C@@H](c2c(O)ccc(-c3oc4cc(O)ccc4c(=O)c3O)c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000137973811 KK Annotated Anodyne O=C(Oc1ccccc1)N1[C@H]2C3[C@@H]4N(C(=O)Oc5ccccc5)[C@@H]5C([C@H]1C5(CO)[C@@H]3c1ccccc1)[C@H](c1ccccc1)C24CO ZINC000137991110 KK Annotated Anodyne COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C[C@@H](CC=C(C)C)C2(C)C ZINC000138006846 KK Annotated Mild O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000138020244 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)CC=C1 ZINC000138062579 KK 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=C/C2=C(C)C(=O)C(=O)C2(C)C)C(C)(C)C(=O)C1=O ZINC000138063556 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C/C(=N\OCCCn3ccnc3)[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000138064260 KK 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(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000138064418 KK 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(=O)[C@@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000138064594 KK Annotated Mild COC(=O)[C@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000138074627 KK Annotated Anodyne COC(=O)[C@@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000138074681 KK Annotated Anodyne CC(C)=CC[C@]12C[C@@H](/C=C/C(C)(C)O)C(C)(C)[C@@]3(C[C@H](C(C)(C)O)OC3=C(C(=O)c3ccccc3)C1=O)C2=O ZINC000138075368 KK Annotated Mild CC(=O)Oc1c(Cl)c(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C ZINC000138079877 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000138096377 KK Annotated Mild COc1cccc2[nH]c(CCCN(C)CC[C@]3(OC(=O)C(C)C)C[C@H]4CCC[C@@H]3c3ccccc34)nc12 ZINC000138096461 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(O)c(c31)Oc1cc3c(cc1OC)CCN[C@@H]3C2 ZINC000138109556 KK Annotated Anodyne S=c1[nH]ncn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000138114836 KK Annotated Anodyne C/C1=C\C[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)/C(C)=C/[C@@H](C)CCC[C@H](C)[C@@H]([C@H](C)CCCC[C@H](O)CCCCC(=O)O)OC1=O ZINC000138123495 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H](CCl)C[C@H]4[C@@]3(C)CC[C@@H]3[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)C[C@@]34C)[C@H]2C1 ZINC000138127431 KK Annotated Reactive CCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000138133760 KK Annotated Mild CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000138134510 KK Annotated Mild CCOC(=O)C1=C(CN2CCCCC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136003 KK Annotated Anodyne CCOC(=O)C1=C(CN2CCCCC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136115 KK Annotated Anodyne CCOC(=O)C1=C(CN2CCC(C)CC2)NC(c2c(F)cc(F)cc2F)=N[C@@H]1c1ccc(F)cc1Cl ZINC000138136233 KK Annotated Anodyne CCOC(=O)C1=C(CN2CCC(C)CC2)NC(c2c(F)cc(F)cc2F)=N[C@H]1c1ccc(F)cc1Cl ZINC000138136325 KK Annotated Anodyne CCCCCCCC(=O)OCCC[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CC[C@H](O)C(C)(C)O)CC[C@]31C)OC2(C)C ZINC000138140929 KK Annotated Mild CC1(C)C=C2c3cc4c(cc3C[C@@H]2C(C)(C)O1)C(=O)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H](C(C)(C)O)O[C@H]3CC[C@]2(C)[C@@]1(C)C(=O)N4 ZINC000138162048 KK Annotated Mild CC(=O)O[C@@H](C)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@@H](OC(=O)C[C@H](C)O)C[C@@H]12 ZINC000138164048 KK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(=O)C[C@H](C)O)[C@@H](C(C)=O)[C@@H]4[C@H](O)C[C@@]43[C@@H](OC(C)=O)C[C@H]21 ZINC000138168469 KK Annotated Anodyne CCc1c[n+]2ccc3c([nH]c4cccc(OC)c43)c2cc1C1=CN2c3ccccc3[C@]34CC[N+]5(C)C/C(=C/CO)[C@H](C[C@@H]35)[C@@H]([C@@H]1O)[C@H]24 ZINC000138176060 KK Annotated Bother C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)C=CC[C@]21C ZINC000138187242 KK Annotated Anodyne CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@]23C[C@@H](/C=C/C(C)(C)O)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000138192111 KK Annotated Mild CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000138197407 KK Annotated Anodyne C=C1OC(=O)C(CCCCCC/C=C\C/C=C\C/C=C\CCO[C@]2(C)CC[C@@]34[C@H](C)CC[C@@H](C(C)C)[C@@H]3[C@@H]24)=C1OC ZINC000138208338 KK Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000138210488 KK Annotated Anodyne C=C1C/C=C\[C@@](C)(O)CC[C@H]2[C@H]1CO[C@@]2(/C=C/C=C(C)C)COC(=O)CCCCCCCCCCCCCCCCC ZINC000138215683 KK Annotated Mild COc1ccc(CC2CCOCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000138220031 KK Annotated Anodyne COc1ccc(CC2CC(C)(C)N(C)C(C)(C)C2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000138220543 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C=O)[C@]3(O)C[C@H](O)C(C)=C[C@H]3C(=O)O1)O2 ZINC000138234922 KK Annotated Reactive CC(=O)C[C@H](O)C/C(C)=C(\C)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 ZINC000138235990 KK Annotated Mild C[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O ZINC000138236228 KK Annotated Anodyne CC(=O)O[C@@]1(C[C@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@H]3Br)[C@@H]24)CC[C@@H](Br)C(C)(C)C1 ZINC000138241752 KK Annotated Reactive COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@@H]1C[C@@](c3ccccc3)(Oc3cc(O)c(C)c(O)c31)O2 ZINC000138246581 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@](C)(O)CC/C=C(\C)CCC=C(C)C ZINC000138250262 KK Annotated Anodyne CC(C)(C)C1=CC(=CNNC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)C=C(C(C)(C)C)C1=O ZINC000138252339 KK Annotated Reactive C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OCC[C@@H](C)CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C ZINC000138255219 KK Annotated Mild CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000138264991 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@@]1(O2)[C@@H](C)CC[C@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000138265121 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2CCC3=C(C(=O)O[C@H]3C)[C@@]12C ZINC000138266767 KK Annotated Anodyne COc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000138275372 KK Annotated Anodyne O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000138285783 KK Annotated Anodyne CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6ccc7c(c56)C[C@@H]5[C@@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)C2=CC1=O ZINC000138306466 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000138343438 KK Annotated Bother CC(=O)O[C@@H]1[C@H](C)O[C@@H](Oc2c(C)c3c4c(c2O)[C@@H](C)CC[C@@H]4[C@@H](C)C[C@H]3C=C(C)C)[C@@H](OC(C)=O)[C@@H]1O ZINC000138344557 KK Annotated Anodyne CO[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000138348740 KK Annotated Mild CO[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000138383944 KK Annotated Mild O=C1CCCN2[C@H]3[C@]45CN6CCCC/C=C\CC[C@]3(C=C(c3nccc7c3[nH]c3ccccc37)[C@H]4CC6)O[C@]2(CC1)C5 ZINC000138390605 KK Annotated Anodyne COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)C2(C[C@@H]3c3ccccc3)SCCCS2)cc1 ZINC000138393869 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C/C=C(\C)CCC=C(C)C)C[C@@H]([C@H]2[C@H](O)C1(C)C)C(C)(C)[C@](C(=O)c1ccccc1)(C4=O)C3=O ZINC000138398592 KK Annotated Mild COc1ccc(-c2c3c4cc(OC)c(OC(C)=O)cc4oc(=O)c3n3ccc4cc(OC(C)=O)c(OC)cc4c23)cc1OC(C)=O ZINC000138401676 KK Annotated Bother C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@@H]1C)OCO3 ZINC000138440062 KK Annotated Anodyne C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000138441011 KK Annotated Anodyne C=C1C[C@H]2CCC[C@H](O)C[C@@H](c3coc(/C=C(/C)[C@@H](C)OC)n3)OC(=O)[C@@H](C)C[C@H](C)[C@@H](OP(=O)(O)O)C[C@@H](C1)O2 ZINC000138464612 KK Annotated Mild COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@@H]1C[C@@](c3ccccc3)(Oc3cc(O)c(C)c(OC)c31)O2 ZINC000138497753 KK Annotated Anodyne COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)COCc3ccccc3)c2)c1 ZINC000138527678 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000138528084 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)c7c(OS(=O)(=O)O)ccc(O)c7C[C@H]6[C@]5(C)CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000138537114 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H]3Cc4c(OS(=O)(=O)O)cc(O)c(OS(=O)(=O)O)c4[C@@]3(C)CC[C@@H]21 ZINC000138546026 KK Annotated Anodyne CC1=C2O[C@]34OC(C)(C)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000138550219 KK Annotated Mild C[C@@H](C/N=C(\N)c1cccc(/C(N)=N/C[C@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000138560993 KK Annotated Mild C[C@H](C/N=C(\N)c1cccc(/C(N)=N/C[C@@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000138561126 KK Annotated Mild CCOC(=O)c1cc2c(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)nc3ccccc3n2c1 ZINC000138587310 KK Annotated Anodyne C[C@@H]1[C@H]2[C@@H]3[C@H]4C[C@@H]5[C@@]6(C)CC[C@@H](OC(=O)c7ccccc7)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC[C@]2(CC[C@H]1C)C(=O)O4 ZINC000138589637 KK Annotated Anodyne COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O ZINC000138606658 KK Annotated Anodyne Oc1cccc2c3c([nH]c12)[C@@H](C1=C[C@@]2(O)CC/C=C\CCCCN4CC[C@@H]1[C@]1(C[C@@H]5C=CCCCCN5[C@@H]21)C4)NCC3 ZINC000138606716 KK Annotated Anodyne C=C1CCCC(C)(C)[C@H]1C[C@H]1C[C@@]23C[C@@H](C(C)(C)O)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000138607953 KK Annotated Mild C=C1CCC(C)=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@H](Br)CC[C@@H]12 ZINC000138609322 KK Annotated Reactive C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@@]2(C)C(=C(C)CC[C@@H]2Br)Cc2cc(ccc2O)C(=O)O1 ZINC000138609452 KK Annotated Reactive C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC=C(C)[C@H]2Cc2cc(ccc2O)C(=O)O1 ZINC000138609594 KK Annotated Reactive COc1cc2c(c(OC)c1O)-c1c(cc(OC)c(OC)c1O)C[C@@H](C)[C@@H](C)[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000138610225 KK Annotated Anodyne COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C\C=C\C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O ZINC000138623577 KK Annotated Anodyne CC(/C=C/C=C(\C)[C@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](C)C=C2C=C[C@@]3(C)OC=CC(=O)[C@]3(C)[C@H]21)=C\C=C\C(=O)O ZINC000138625161 KK Annotated Mild C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@H]2C(C)=CCC(C)=C2Cc2cc(ccc2O)C(=O)O1 ZINC000138630671 KK Annotated Reactive CC1=C2Cc3cc(ccc3O)C(=O)O[C@H]3CC[C@@](C)(OC3(C)C)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 ZINC000138630815 KK Annotated Reactive COC1=CC[C@@H]([C@@H](C)/C=C(C)/C=C/C=C/C(=O)N[C@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O ZINC000138642866 KK Annotated Anodyne C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@]3(C)CC[C@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 ZINC000138653164 KK Annotated Reactive COc1cc([C@@H]2c3c(O)cc(O)cc3[C@H]3[C@H](c4ccc(O)c(OC)c4)c4c(O)cc(O)cc4[C@@H]23)ccc1O ZINC000138665461 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@](C)(C=O)C[C@H]2[C@@]34CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@@H](O)[C@@]12CO4 ZINC000138709640 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(CO)[C@H]3CC[C@@]4(C)[C@@H](C(=O)CC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)[C@@H]2CC(C)(C)CC[C@]12C ZINC000138712970 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1=O ZINC000138724118 KK 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=C/C2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000138724251 KK Annotated Mild C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000138726893 KK Annotated Anodyne CC(=O)O[C@H](CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)C(C)(C)O ZINC000138738479 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000138743965 KK Annotated Mild O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@H]3C=CCCCCN3[C@@H]21 ZINC000138755221 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@H]3/C=C/CCCCN3[C@@H]21 ZINC000138755338 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@H]3/C=C/CCCCN3[C@@H]21 ZINC000138755453 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000138755570 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000138755691 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000138755817 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000138771987 KK Annotated Mild C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@@H]1C(=C)C=O ZINC000138795781 KK Annotated Reactive CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000138804091 KK Annotated Bother CC[C@@H](C)C(=O)c1c(O)c(C)c(O)c2c1OC(C)(C)[C@H]1[C@@H]2Oc2c(C)c(O)c(C(=O)[C@H](C)CC)c3c2[C@@H]1CC(C)(C)O3 ZINC000138820370 KK Annotated Anodyne CO[C@@H]1O[C@@H]2C[C@@H]3[C@@]4(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]3(C)CC[C@]14CC[C@@H](C)[C@H](C)[C@H]4[C@H]23 ZINC000138831631 KK Annotated Anodyne O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000138846298 KK Annotated Anodyne O=C(CCOc1ccc(F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000138846818 KK Annotated Anodyne CC(=O)C[C@@H](O)C/C(C)=C(\C)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 ZINC000138868237 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000138908156 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@]13C=C[C@@H]4[C@@]5(C)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@](C)(COC(C)=O)[C@@H]5CC[C@@]4(C)[C@@]1(CC2)C3 ZINC000138910202 KK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000138935675 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2O)OCO3)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@]1(C)O ZINC000138944828 KK Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)c1ccc2c(c1O)[C@H](C(=O)c1ccc(O)cc1O)[C@@H](c1ccc(O)cc1)O2 ZINC000139003128 KK Annotated Mild O=C(/C=C/c1ccc(O)cc1)c1cc2c(cc1O)O[C@H](c1ccc(O)cc1)[C@H]2C(=O)c1ccc(O)cc1O ZINC000139003491 KK Annotated Mild CC(=O)O[C@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@@H]3[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]23C)[C@@H](OC(C)=O)O1 ZINC000139017593 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2N(C)CC3)C1 ZINC000139023081 KK Annotated Anodyne CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)C[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000139035935 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H](/C(C)=C\C(=O)CC(C)(C)O)CC[C@]42C)OC(=O)C[C@@]13C ZINC000139038547 KK Annotated Mild O[C@]12C=C([C@@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000139046055 KK Annotated Anodyne O[C@]12C=C([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000139046192 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(OCF)cc1 ZINC000139047711 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(OCF)cc1 ZINC000139047810 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(C(C)(C)C)cc1 ZINC000139047922 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(C(C)(C)C)cc1 ZINC000139048003 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139049035 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139049128 KK Annotated Anodyne O=[N+]([O-])c1cc2ccc1OCc1cccc(n1)COc1ccc(cc1[N+](=O)[O-])/C=N/CCCCCCCC/N=C/2 ZINC000139054341 KK Annotated Bother CC(C)c1ccc(N(C(=O)c2ccc(C(F)(F)F)nc2)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139056125 KK Annotated Anodyne CC(C)c1ccc(N(C(=O)c2ccc(C(F)(F)F)nc2)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000139056221 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(C(C)(C)C)cc1 ZINC000139056552 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)nc1)c1ccc(C(C)(C)C)cc1 ZINC000139056619 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(OCF)cc1 ZINC000139057441 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(OCF)cc1 ZINC000139057553 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139057681 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1 ZINC000139057805 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000139058880 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(C(C)(C)C)cc1 ZINC000139059001 KK Annotated Anodyne C=CCCCCCCC[C@@H](O)[C@H]1C[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](CCCCC)O1 ZINC000139083281 KK Annotated Mild C=C(C)CCC/C(C)=C/[C@H]1C[C@](C)(OC(=O)CC(C)C)C[C@@]2(C=C(CO)[C@@H]3CC(=O)C(C)=C[C@@H]3O2)O1 ZINC000139083298 KK Annotated Mild COc1c(O)cc2c(c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OC(=O)c1ccccc1)[C@@H](C)[C@@H](C)C2 ZINC000139086642 KK Annotated Anodyne C=C[C@H](O)C#CC#C[C@H](/C=C\CCCCCCC)OC(C)(C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 ZINC000139096089 KK Annotated Mild COc1ccc(CCc2cc(O)c(OC)c3c2Oc2c(cc(O)c(OC)c2O)[C@H]3Cc2ccc(OC)cc2)cc1 ZINC000139108837 KK Annotated Anodyne COc1ccc(C[C@H]2c3cc(O)cc(CCc4ccc(O)cc4)c3Oc3c2cc(O)c(OC)c3O)cc1 ZINC000139109093 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]3(O)CC(=O)C(C)=C[C@H]3C(=O)O1)O2 ZINC000139138058 KK Annotated Mild CC(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c1cc(C)c(O)c2-c1c(O)c(C)cc2c1[C@H](C)CC[C@H]2[C@H](C)CCC=C(C)C ZINC000139142500 KK Annotated Anodyne CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)=O ZINC000139147826 KK Annotated Mild CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@@H](OC(C)=O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)=O ZINC000139148181 KK Annotated Mild CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c([C@H]6CC[C@H]7NCCc8c7n6c6ccccc86)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000139153422 KK Annotated Clean CC1=C[C@@H](O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1/C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000139163991 KK Annotated Bother CC(C)C[C@H](NCCc1cc(F)c(-n2c(N)c(C(=O)c3ccc(F)cc3F)ccc2=O)c(F)c1)C(=O)OC1CCCC1 ZINC000139174852 KK Annotated Anodyne COc1cc(O)c(C(=O)/C=C/c2ccc(OC)c(OC)c2C/C=C(\C)CCCC(C)(C)O)c(OC)c1CCC(C)(C)O ZINC000139222824 KK Annotated Mild in-vivo CC(=O)[C@@]1(OC(=O)c2ccc(Br)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000139263275 KK Annotated Mild CC(C)(O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc2ccncc2n1CCCC(F)(F)F ZINC000139331170 KK Annotated Anodyne CC(=O)OC(=O)c1cc(CCl)ccc1C1c2cc(Cl)c(OC(C)=O)cc2Oc2cc(OC(C)=O)c(Cl)cc21 ZINC000139342460 KK Annotated Reactive in-vitro CC(=O)OC(=O)c1ccc(CCl)cc1C1c2cc(Cl)c(OC(C)=O)cc2Oc2cc(OC(C)=O)c(Cl)cc21 ZINC000139342612 KK Annotated Reactive in-vitro CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)C1=C2O[C@H](C(C)(C)O)C1 ZINC000139344873 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)c1ccccc1)C3=O ZINC000139345370 KK Annotated Mild COCC(=O)Nc1cnccc1CCOc1ccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)c2ccccc12 ZINC000139384454 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@@]43C)[C@@H]1C[C@H](OC(C)=O)[C@@H]2[C@H](C)[C@H](O)CCC(C)C ZINC000139385293 KK Annotated Mild COCC(=O)Nc1cc([C@H](C)Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1 ZINC000139388378 KK Annotated Anodyne COCC(=O)Nc1cc([C@@H](C)Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1 ZINC000139388487 KK Annotated Anodyne CC[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(-c3ccc(OCC(C)(C)C(=O)O)nc3)cc2O1 ZINC000139390013 KK Annotated Anodyne CC[C@H]1CN(C(=O)Nc2ccc(Cl)cc2F)c2ccc(-c3ccc(OCC(C)(C)C(=O)O)nc3)cc2O1 ZINC000139390096 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccnc2ccccc12 ZINC000139390891 KK Annotated Mild Oc1c(Br)cc(CCc2cc(Br)c(O)c(Br)c2)cc1Br ZINC000139414486 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c4ccccc4)(C(=O)C(CC=C(C)C)=C2O1)C3=O ZINC000139428295 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C1=C(C[C@@H](C(C)(C)O)O1)C2=O ZINC000139428561 KK Annotated Mild O=C(Nc1ccc(C2=N[C@H](c3ccccc3)CO2)cc1)Nc1ccc(S(=O)(=O)NCc2cc(F)c(F)c(F)c2)cc1 ZINC000139431001 KK Annotated Anodyne in-vivo CCCCCCCC/C=C\CCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCC)C(=O)C=C(OC)C1=O ZINC000139446806 KK Annotated Mild C=C[C@@](C)(/C=C/c1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H]([C@](C)(C=C)CCC=C(C)C)O2)CCC=C(C)C ZINC000139448238 KK Annotated Mild C=C[C@@](C)(/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H]([C@](C)(C=C)CCC=C(C)C)O2)CCC=C(C)C ZINC000139448383 KK Annotated Mild CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)CSC2=O)c1 ZINC000139452556 KK Annotated Anodyne in-vitro CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](CC=C(C)C)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000139460722 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C(=O)C3=C1O[C@H](C(C)(C)O)C3)C2=O ZINC000139461164 KK Annotated Mild Cc1cc(-c2nc3ccccc3n2C)cc2c1nc(C)n2Cc1cccc2c1ccn2-c1ccccc1C(=O)O ZINC000139477793 KK Annotated Anodyne C=CC(C)(C)[C@]12C[C@H]3C(=O)N4[C@@H](C[C@]5(C(C)(C)C=C)c6ccccc6N[C@H]45)C(=O)N3[C@H]1Nc1ccccc12 ZINC000139480484 KK Annotated Mild CCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O ZINC000139483114 KK Annotated Anodyne CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O ZINC000139483249 KK Annotated Anodyne CCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O ZINC000139483383 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@@H](CC3(C)C)C[C@@]4(C)O)C(=O)O2)C(C)(C)C[C@H](O)[C@@H]1O ZINC000139483483 KK Annotated Bother CCCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1cccc2c1ccn2-c1ccccc1C(=O)O ZINC000139483501 KK Annotated Anodyne C/C=C1\CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]69)C/C7=C\C ZINC000139511612 KK Annotated Anodyne COC(=O)c1c2ccc(n2)c(C(F)(F)F)c2ccc([nH]2)c(C(=O)OC)c2ccc(n2)c(C(F)(F)F)c2ccc1[nH]2 ZINC000139524841 KK Annotated Bother in-vivo Cc1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3Cl)NCCO4)c2C)cc1C ZINC000139540154 KK Annotated Anodyne CN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccnc4ccccc34)ccc21 ZINC000139546382 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCC(C)(C)n2cccc2)s1 ZINC000139552048 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)ccc1O ZINC000139553451 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)[C@H]3c2cc(O)cc(O)c2)ccc1O ZINC000139553585 KK Annotated Clean CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCc3cccnc3)Cc3ccccc3-c3cccnc3)ccc21 ZINC000139568404 KK Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccoc4c3=O)Cc3ccccc3C)ccc21 ZINC000139568741 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@H]1C)OCO3 ZINC000139591231 KK Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4sccc4c3=O)Cc3cccnc3C)ccc21 ZINC000139593134 KK Annotated Anodyne C/C1=C\C[C@@H](O)[C@@H](C)[C@H](O)C[C@H](O)/C(C)=C/[C@@H](C)CCC[C@H](C)[C@@H]([C@H](C)CCCCCCCCCC(=O)O)OC1=O ZINC000139593153 KK Annotated Anodyne CN(C)CCCOc1ccc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cn1 ZINC000139596940 KK Annotated Anodyne CCCc1ncccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O ZINC000139601568 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@]4(CCC[C@@]32C)C[C@@H]4C)[C@@H]2CCC3=C(C(=O)O[C@@H]3C)[C@@]12C ZINC000139610979 KK Annotated Anodyne CCCCCC/C=C\CCCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000139613351 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)[C@H]2[C@@H](c3cc(OC)c(OC)cc3OC)C=CC[C@@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000139616948 KK Annotated Mild COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H](/C(C)=C/C(=O)CC(C)(C)O)CC[C@]42C)OC(=O)C[C@@]13C ZINC000139618285 KK Annotated Mild CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000139633339 KK 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/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000139647455 KK Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nc(NC5CCC5)ncc4C(F)(F)F)ccn23)c1 ZINC000139647931 KK Annotated Anodyne CCN(CC)CCc1nnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)s1 ZINC000139659480 KK Annotated Anodyne CC(C)(C)OC(=O)CCCCCC(=O)N1CCC([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 ZINC000139678687 KK Annotated Anodyne CC(C)(C)OC(=O)CCCCCC(=O)N1CCC([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 ZINC000139678814 KK Annotated Anodyne NC1(c2cc(C(=O)N[C@@H]3CCc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)cc(C(F)(F)F)c2)CCC1 ZINC000139691352 KK Annotated Anodyne CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)[C@@]46CCN7CCC[C@]8(CC[C@]4([C@H](C(=O)OC)C8)N5C)[C@H]76)C1)[C@H]32 ZINC000139714503 KK Annotated Clean CC(C)C(=O)Nc1cccc(C(=O)NCC[C@@]2(c3ccccc3)CN(Cc3ccc(-c4ccncc4)cc3)CCO2)c1 ZINC000139723355 KK Annotated Anodyne in-vivo CC(=O)O[C@H]1CC(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]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)[C@](C)(O)C1 ZINC000139724690 KK Annotated Bother C#CCCCCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000139729084 KK Annotated Mild CC[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@](C)([C@H](C)OC(C)=O)CCC[C@@]32C)[C@@H]2CCC3=C(C(=O)O[C@H]3C)[C@@]12C ZINC000139735827 KK Annotated Anodyne CC1=C[C@H]2c3ccc(O)cc3O[C@]3(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c4[C@H](C1)[C@H]23 ZINC000139738881 KK Annotated Anodyne CN1CCCN=C1c1ccc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6C)cc5[nH]4)cc3)[nH]c2c1 ZINC000139747981 KK Annotated Anodyne Cn1ccnc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139751304 KK Annotated Anodyne O=C1c2c(-c3ccccc3)ccc3ccc(O)c(c23)[C@H]2[C@H]3c4c(O)ccc5ccc(-c6ccccc6)c(c45)C(=O)[C@]3(O)O[C@]12O ZINC000139776726 KK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 ZINC000139777579 KK Annotated Anodyne CC(C)=CCC[C@]1(C)O[C@@H]2CC[C@]3(C)[C@H](CC[C@]4(C)[C@@H]5Cc6c(O)ccc([C@@H](O)C(=O)O)c6[C@@]5(C)CC[C@H]43)[C@@]2(C)CC[C@H]1O ZINC000139805050 KK Annotated Anodyne C=C[C@]1(C)C=C2C(=O)C[C@H]3[C@](C)(C(=O)OO[C@@H]4C[C@H]5C(C)(C)CCC[C@]5(C)c5cc(O)c(C(C)C)cc54)CCC[C@]3(C)[C@H]2CC1 ZINC000139818312 KK Annotated Reactive C[C@@H](CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O ZINC000139828785 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)c6c(OS(=O)(=O)O)ccc(O)c6C[C@H]5[C@]4(C)CC[C@H]3[C@]2(C)CC[C@H]1O ZINC000139832279 KK Annotated Anodyne COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@]3(CO)C[C@@]45CC[C@@H]6C(C)(C)CCC[C@@]6(C)[C@@H]4CC[C@@H]3C5)cc3c(c12)OCO3 ZINC000139834388 KK Annotated Bother Cc1ncccc1CNC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(CCC(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000139835948 KK Annotated Anodyne C=C(C)[C@@H](CC[C@]1(C)O[C@@H]([C@](C)(O)[C@@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@H]1O)OC ZINC000139883629 KK Annotated Reactive CC(C)(C)C(=O)COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139889160 KK Annotated Anodyne CC(=O)/C(C)=N/Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139908903 KK Annotated Mild CC1(C)CC(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1[O] ZINC000139923801 KK Annotated Reactive in-vivo CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2/C=C/c1cc([C@H](O)C[C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@@]42C)CO3)ccc1C=O ZINC000139925853 KK Annotated Anodyne O=C(c1cc(Cl)ccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccccc2O)cc(Cl)c1Cl ZINC000139934775 KK Annotated Anodyne O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2cc(Cl)ccc2O)cc(Cl)c1Cl ZINC000139934925 KK Annotated Anodyne O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000139935278 KK Annotated Anodyne Cn1cncc1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000139961693 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cccnc2)s1 ZINC000139973098 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@](C)(CC=C(C)[C@@]4(C)OO)CC[C@]23C)C1(C)C ZINC000139994060 KK Annotated Reactive CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000014087672 KK Annotated Bother CCN(CC)CCC[C@H](C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000014088736 KK Annotated Bother CCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090032 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090034 KK Annotated Mild CCCCCCCCCCCCCCOC[C@@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090038 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000014090040 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000014090042 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000014090044 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000014090047 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000014090049 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCC1 ZINC000014096099 KK Annotated Mild CCCCCCCCCCCC(=O)N1C(=O)O[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)[C@@H]1CCC ZINC000014096118 KK Annotated Mild CCCCCCCCCCCC(=O)N1C(=O)O[C@@H](CO[P@](=O)(O)OCC[N+](C)(C)C)[C@@H]1CCC ZINC000014096120 KK Annotated Mild O=C(NCc1cccnc1)[C@@H]1CCCCN1[C@@H]1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21 ZINC000014096466 KK Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000014113472 KK Annotated Anodyne CCCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000014113476 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NN(CC(C)C)C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 ZINC000014113892 KK Annotated Reactive CC(C)CC(=O)O[C@H](CC(=O)OCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C[N+](C)(C)C ZINC000014116020 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000014116088 KK Annotated Anodyne CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H]6C[C@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1 ZINC000014128098 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(OC(C)=O)c(OC(C)=O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000014128125 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc(OC(C)=O)c(OC(C)=O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000014128126 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(OC(C)=O)c(OC(C)=O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000014128127 KK Annotated Anodyne CN(C)C[C@H](O)COc1ccc(Nc2ncc(Br)c(N(CCCC(F)(F)F)c3ccccc3)n2)cc1 ZINC000014128276 KK Annotated Anodyne C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@H](Cn2cnc3ccccc32)c2ccccc2)CC1 ZINC000014128287 KK Annotated Mild Cn1cncc1[C@](N)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1 ZINC000014128309 KK Annotated Anodyne investigational O=C(NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S)c1ccccc1S ZINC000014128348 KK Annotated Reactive CCc1sc(CCc2cc(N3CCOCC3)cc(N[C@@H](C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000014139887 KK Annotated Anodyne CC[C@@H](C)N1C(=O)[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21 ZINC000014140173 KK Annotated Anodyne CC[C@H](C)N1C(=O)[C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21 ZINC000014140175 KK Annotated Anodyne Cc1cc(-c2c(OCC[C@@H]3CCCO3)c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000014140824 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@H](O)COc3cccc4cnccc34)cc2)cc(C(C)(C)C)c1O ZINC000014141051 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000014141122 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000014141553 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000014163814 KK Annotated Mild CCCCCCCCCCCCCCCCOCCCO[P@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000014163818 KK Annotated Mild CCCCCCCCCCCCCCCCCCOCCO[P@@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000014163822 KK Annotated Mild CCCCCCCCCCCCCCCCCCOCCO[P@]1(=O)CO[C@@H](Cn2ccc(N)nc2=O)CO1 ZINC000014163826 KK Annotated Mild CCC[C@@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(O)cc(O)c1)OC(C)=O ZINC000014163993 KK Annotated Anodyne CCC[C@@H](CCCCCCCc1cc(O)cc(O)c1)OC(=O)c1c(O)cc(O)cc1CCCCCCC[C@@H](CCC)OC(C)=O ZINC000014163996 KK Annotated Anodyne CCC[C@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1)OC(C)=O ZINC000014164002 KK Annotated Anodyne in-vitro CCC[C@@H](CCCCCCCc1cc(O)cc(O)c1)OC(=O)c1c(O)cc(O)cc1CCCCCCC[C@H](O)CCC ZINC000014164006 KK Annotated Anodyne CCC[C@H](O)CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000014164010 KK Annotated Anodyne CCC[C@H](O)CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000014164017 KK Annotated Anodyne CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000014164021 KK Annotated Anodyne in-vitro O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ncc(Br)cc3C=Cc3cc(Cl)cc(Br)c32)CC1 ZINC000014164520 KK Annotated Anodyne C[C@H](C(=O)NC1(c2ccccc2)CCC(N2CCC3(CCCO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014164609 KK Annotated Anodyne C[C@H](C(=O)NC1(c2ccccc2)CCC(N2CCC3(CC2)CCC(C)(C)O3)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000014164613 KK Annotated Anodyne NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000014164621 KK Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C ZINC000014176260 KK Annotated Mild Cn1nc(C[C@H](CC(=O)O)c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCc1ccc2c(n1)NCCC2 ZINC000014191372 KK Annotated Anodyne C[C@@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@](C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000014191395 KK Annotated Anodyne C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@](C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000014191397 KK Annotated Anodyne C[C@@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@](C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000014191399 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CN[C@@H](C)C(C)(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000014191483 KK Annotated Anodyne CCCC[C@@]1(C[C@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000014191639 KK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN(C3CCOCC3)CC2)c1 ZINC000014191771 KK Annotated Mild O=C(CN1CCc2cc(-c3ccncc3)ccc2[C@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000014191776 KK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN(CCCCCO)CC2)c1 ZINC000014191784 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN([C@@H]3CCSC3)CC2)c1 ZINC000014191788 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN([C@@H]3CCSC3)CC2)c1 ZINC000014191790 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN(Cc3ccoc3)CC2)c1 ZINC000014191792 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN(CC3CC3)CC2)c1 ZINC000014191794 KK Annotated Mild COC(=O)c1cc(C[C@@H]2SC(=O)NC2=O)ccc1OCCn1c(CCCCC2CCCCC2)nc2ccccc21 ZINC000014191874 KK Annotated Anodyne C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(C#N)c1 ZINC000014208722 KK Annotated Mild CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N1 ZINC000014208747 KK Annotated Anodyne O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)OCCF ZINC000014209591 KK Annotated Anodyne COc1cccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c1Cl ZINC000014209611 KK Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O3)c1 ZINC000014210013 KK Annotated Anodyne biogenic in-vivo COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2ccc(C(=O)O)cc2)cc1O ZINC000014210440 KK Annotated Anodyne C[C@@H]1CN(c2ncc([C@@H](O)CO)cc2Cl)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000014210665 KK Annotated Anodyne C[C@@H]1CN(c2ncc([C@H](O)CO)cc2Cl)CCN1c1nc2c(-c3cc(F)c(F)c(F)c3)cc(C(F)(F)F)cc2[nH]1 ZINC000014210667 KK Annotated Anodyne Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1Nc1ncnn2cc(C(=O)N[C@@H](C)c3ccccc3)c(C)c12 ZINC000014210675 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(OC)ccc2N1C(=O)OC(C)C ZINC000014211208 KK Annotated Anodyne CC[C@H]1C[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000014211212 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000014211214 KK Annotated Anodyne CCCCCCCCCCCCCCCCOC[C@@H]1CC[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000014236211 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1CC[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000014236215 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1CC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000014236219 KK Annotated Mild CCCCCCCCCCCCCCOc1cccc(O[P@](=O)(O)Oc2cccc(C[n+]3csc(C)c3)c2)c1C(=O)OC ZINC000014243425 KK Annotated Mild C[C@@H]1CC(C)(C)N[C@@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243553 KK Annotated Reactive C[C@H]1CC(C)(C)N[C@@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243554 KK Annotated Reactive C[C@@H]1CC(C)(C)N[C@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243555 KK Annotated Reactive C[C@H]1CC(C)(C)N[C@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 ZINC000014243556 KK Annotated Reactive CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000014243725 KK Annotated Reactive CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC(=O)CCNC(=O)[C@@H]1OC(C)(C)OCC1(C)C ZINC000014253152 KK Annotated Mild CCCCCCCCCN(CC(C)(C)C)C(=O)N[C@H]1CCCC[C@@H]1OC(=O)CCNC(=O)[C@H]1OC(C)(C)OCC1(C)C ZINC000014253156 KK Annotated Mild CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000014255596 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(OC)cc1OC)=C1C(=O)OC(C)(C)OC1=O ZINC000014255602 KK Annotated Anodyne CCCCCc1ccc(CN(C(Nc2ccc(OC)cc2OC)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000014255606 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000014255608 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000014255610 KK Annotated Anodyne C=CC[P@@](=O)(Cc1ccc(O[C@@H]2N(C(=O)N[C@H](CCC)c3ccc(C)cc3)C(=O)C2(CC)CC)cc1)OCC ZINC000014261750 KK Annotated Mild COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 ZINC000014277268 KK Annotated Anodyne in-vivo CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccccc2)CCCC1 ZINC000014277276 KK Annotated Anodyne CC(C)CCN1C(=O)[C@H](NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000014286159 KK Annotated Anodyne COc1c(O)c(Br)c2c(c1OC)-c1c(c(Br)c(O)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2 ZINC000014286610 KK Annotated Anodyne CC(C)C[C@H](C[P@@](=O)(O)CSc1ccc2ccccc2n1)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O ZINC000014286737 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000014293566 KK Annotated Anodyne CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@@]13OO2 ZINC000014293587 KK Annotated Reactive CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000014293641 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 ZINC000014299546 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 ZINC000014299547 KK Annotated Anodyne CC[C@@H](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@@](O)(Cc2ccc(O)cc2)NC1=O ZINC000014299619 KK Annotated Mild CC[C@H](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@@](O)(Cc2ccc(O)cc2)NC1=O ZINC000014299620 KK Annotated Mild CC[C@H](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@](O)(Cc2ccc(O)cc2)NC1=O ZINC000014299621 KK Annotated Mild CCCCCc1nc(-c2[nH]c(C=O)cc(=O)c2SSc2c(-c3coc(CCCCC)n3)[nH]c(C=O)cc2=O)co1 ZINC000014299626 KK Annotated Reactive O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ccc(Cl)cc3C=C(Br)c3cc(Br)cnc32)CC1 ZINC000014299636 KK Annotated Anodyne CCCC[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCN(C(N)=O)CC1 ZINC000014299662 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000014299782 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000014299783 KK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000014299784 KK Annotated Anodyne O=[S@](c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 ZINC000014300065 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000014300253 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000014300254 KK Annotated Mild COC(=O)c1cccc2nc3c([C@@H](C)[C@@H](C)c4cccc5nc6c(C(=O)OC)cccc6nc45)cccc3nc12 ZINC000014300310 KK Annotated Bother O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc32)CC1 ZINC000014300319 KK Annotated Anodyne COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1cc2c(cc1O)OC[C@H](Cc1ccc(O)cc1)C2 ZINC000014440816 KK Annotated Anodyne CC(=O)O[C@H](C[C@H]1C=C(C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000014441532 KK Annotated Anodyne in-man CC(=O)O[C@H](C[C@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000014441533 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@H]1C=C(C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000014441535 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000014441537 KK Annotated Anodyne in-man C/C1=C\CC[C@H](C)/C=C/C(C)(C)[C@H](OC(=O)/C(=C2/OC(=O)C(c3ccccc3)=C2O)c2ccccc2)CC1 ZINC000014441647 KK Annotated Anodyne CCCc1cc(=O)oc2c3c(c(C(=O)C[C@H](C)COC(=O)/C=C/c4ccccc4)c(O)c12)OC(C)(C)C=C3 ZINC000014455246 KK Annotated Anodyne COC1=CC(=O)C(Cc2oc3cc(OC)c(O)cc3c2-c2ccccc2)=C[C@@]1(C/C=C/c1ccccc1)OC ZINC000014488430 KK Annotated Mild COC1=CC(=O)C(Cc2oc3cc(OC)c(O)cc3c2-c2ccccc2)=C[C@]1(C/C=C/c1ccccc1)OC ZINC000014488431 KK Annotated Mild C=C1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(COC(=O)c3ccccc3)CCC[C@]21C ZINC000140040929 KK Annotated Mild CCN(CC)CCOC(=O)c1ccc2[nH]c(Cc3[nH]c4ccc(C(=O)OCCN(CC)CC)cc4c3C)c(C)c2c1 ZINC000140047330 KK Annotated Anodyne in-vivo C=C[C@@H]1[C@@H](OC(C)=O)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](OC(C)=O)C(=C)C)CC[C@@]24C)C[C@]13CCC(=O)OC ZINC000140062943 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CC[C@H]4OC4(C)C)CC[C@]31C)OC2(C)C ZINC000140085604 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1[C@]2(CC[C@H]3[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]31C)OC2(C)C ZINC000140097475 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000140102868 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000140104101 KK Annotated Mild C[C@@H](NC(=O)[C@H](C[C@@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@@H](C)C(Cl)(Cl)Cl)c1nccs1 ZINC000140142054 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)cc1C[C@@H]1[C@@H](C)CC[C@]2(C)[C@@H]3CC[C@@]4(C)C(C)=CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000140146042 KK Annotated Anodyne C=C1CCC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](Cc5cc(OC(C)=O)c(OC(C)=O)cc5OC(C)=O)[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000140146198 KK Annotated Mild Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1[C@@H]1C[C@H](C(F)(F)F)C[C@H](N)C1 ZINC000140146948 KK Annotated Anodyne CC(/C=C\c1c(C)ccc(C)c1C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000140157940 KK Annotated Bother CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@](C)([C@@H](C=O)[C@@H]1C(C)=O)[C@H](O)C[C@@H]1[C@@]3(C)CCC[C@@](C)(CC)[C@@H]3CC[C@@]21C ZINC000140162692 KK Annotated Mild C1=C\CC[C@]23CN4CCCC/C=C\CC[C@@]5(O[C@H]5[C@@H]([C@@H]5NCCc6c5[nH]c5ccccc65)[C@@H]2CC4)[C@@H]3NCCCC/1 ZINC000140162973 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)/C(=C(C)/C=C/C=C(C)/C=C/C=C(/C)C(=O)O)C(=O)C[C@@H]32)C1(C)C ZINC000140164688 KK 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=C/c2ccc(C)c(C)c2C)C(C)(C)CC=C1 ZINC000140175117 KK 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=C/c2ccc(C)c(C)c2C)C(C)(C)C=C(O)C1=O ZINC000140177358 KK Annotated Mild C/C(C#Cc1c(C)ccc(C)c1C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C)c(C)c1C ZINC000140182161 KK Annotated Mild CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@@]23CC[C@]2(C)[C@@H]([C@H](C)C[C@@H]4C=C(C)C(=O)O4)CC[C@@]2(C)C3=O)C1(C)C ZINC000140184016 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCCCN2)s1 ZINC000140186972 KK Annotated Anodyne CC(C)N1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140192895 KK Annotated Anodyne C/C1=C\C[C@@H]2C[C@@H](C[C@]3(C[C@H](O)[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)c2cc(C)c(O)cc2/C=C/C=C/[C@H](C)[C@@H]1O ZINC000140199621 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2c(C)ccc(C)c2C)C(C)(C)CC=C1 ZINC000140203438 KK Annotated Bother O=C1CCc2c(Oc3ccc4c(c3)C[C@H](NC(=O)c3cc(-c5cn[nH]c5)cc(C(F)(F)F)c3)CC4)ccnc2N1 ZINC000140206735 KK Annotated Anodyne Cc1cc2occ(CN3CCN(Cc4cn(-c5cccc(C(F)(F)F)c5)c5ccccc45)CC3)c(=O)c2cc1C ZINC000140214805 KK Annotated Anodyne CCCC[C@H](CC)CC(=O)OCc1ccc(-c2cc(=O)c3c(OC)cc(OC(=O)/C=C/c4ccc(OC)cc4)cc3o2)cc1 ZINC000140221647 KK Annotated Anodyne Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCCC2CCNCC2)cc1Cl ZINC000140248151 KK Annotated Anodyne CC(C)(O)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000140248179 KK Annotated Anodyne CC1(C)[C@H](Br)CC[C@@](C)(O)[C@@H]1CC[C@]1(C)O[C@](C)([C@H](O)CCl)CC[C@H]1Br ZINC000140263864 KK Annotated Reactive CCCc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc(CCC)cc31)c1cc(O)cc(O)c1C2=O ZINC000140267532 KK Annotated Anodyne CCCc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc([C@@H](O)CC)c8c1c2c(c34)c(c65)c78 ZINC000140268594 KK Annotated Bother CC1(C)C(=O)C(Br)(Br)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@]34C[C@](C)(CC[C@]3(C)CC[C@]21C)C(=O)O4 ZINC000140277785 KK Annotated Mild CC(C)(O)/C=C\c1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000140279617 KK Annotated Mild CC(=O)CC[C@@H](C(C)C)[C@H]1[C@@H]2CC[C@@]3(C(=O)C4=C5C(=C(O)C(=O)C(C(C)C)=C53)[C@@]3(C)CCCC(C)(C)[C@@H]3C4)[C@@H]21 ZINC000140280389 KK Annotated Mild CC(C)(C)/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O ZINC000140282709 KK Annotated Mild CC(C)(C)/C(COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N/O ZINC000140285456 KK Annotated Mild CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000140322213 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000140322352 KK Annotated Anodyne Cc1nc2ccccc2n1CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140322508 KK Annotated Anodyne Cc1nc2ccccc2n1CC(=O)N(c1ccc(C(C)(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140322651 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1cnc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000140322813 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1cnc2ccccc21)c1ccc(C(C)(C)C)cc1 ZINC000140322941 KK Annotated Anodyne CCCCC1=C(Br)/C(=C(Br)\C(Br)=C2\OC(=O)C(CCCC)=C2Br)OC1=O ZINC000140323636 KK Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140323904 KK Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140324057 KK Annotated Anodyne CC(C)C(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140324223 KK Annotated Anodyne CC(C)C(=O)Nc1ccc(N(C(=O)Cn2cnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140324389 KK Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2c(C)nc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140324894 KK Annotated Anodyne CCC(=O)Nc1ccc(N(C(=O)Cn2c(C)nc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000140325050 KK Annotated Anodyne Cc1nc2ccccc2n1CC(=O)N(c1ccc(NC(=O)C(C)C)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140325234 KK Annotated Anodyne Cc1nc2ccccc2n1CC(=O)N(c1ccc(NC(=O)C(C)C)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 ZINC000140325417 KK Annotated Anodyne CO[C@@H]1CC(C)=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2ccc(C)c(C)c2C)C(C)(C)C1 ZINC000140326464 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#CC(=O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000140341063 KK Annotated Mild Clc1ccc(Cn2c(/C=C/[C@@H]3CCN(CC4CCCCC4)C3)nc3cc(Br)ccc32)cc1 ZINC000140352981 KK Annotated Anodyne Clc1ccc(Cn2c(/C=C/[C@H]3CCN(CC4CCCCC4)C3)nc3cc(Br)ccc32)cc1 ZINC000140353138 KK Annotated Anodyne CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(Cl)=C\[C@@]12O[C@@H]1C[C@H](OC(C)=O)[C@H](C)C2=O)OC ZINC000140422325 KK Annotated Mild CC1=C(C)[C@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]23c2ccc([nH]2)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000140422797 KK Annotated Mild CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(\C)CC/C=C(\C)CC(=O)C/C(=C\OC(C)=O)COC(C)=O ZINC000140427574 KK Annotated Anodyne CC(=O)O/C=C(\COC(C)=O)CC(=O)C/C(C)=C/CC/C(C)=C/CCC(/C=C/OC(C)=O)=C\OC(C)=O ZINC000140427727 KK Annotated Anodyne CC(=O)O/C=C/C(=C/OC(C)=O)CC/C=C(\C)CCC[C@@H](C)CC(=O)C/C(=C\OC(C)=O)COC(C)=O ZINC000140428218 KK Annotated Anodyne CC(=O)O/C=C(\COC(C)=O)CC(=O)C[C@H](C)CCC/C(C)=C/CCC(/C=C/OC(C)=O)=C\OC(C)=O ZINC000140428380 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2Cl)[C@H](N)CC3)s1 ZINC000140429049 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)cc2Cl)[C@@H](N)CC3)s1 ZINC000140429230 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2Cl)[C@H](N)CC3)s1 ZINC000140429381 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)cc2Cl)[C@@H](N)CC3)s1 ZINC000140429539 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000140447550 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000140447721 KK Annotated Anodyne CC(=O)O[C@]1(C[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@H](Br)C(C)(C)C1 ZINC000140448920 KK Annotated Reactive CC(=O)O[C@]1(C[C@@H]2CC[C@@]34[C@@H](Br)CC[C@@](C)(O[C@@H]3O)[C@@H]24)CC[C@H](Br)C(C)(C)C1 ZINC000140449241 KK Annotated Reactive CC(=O)O[C@]1(C[C@@H]2CC[C@@]34[C@@H](Br)CC[C@@](C)(O[C@H]3O)[C@@H]24)CC[C@H](Br)C(C)(C)C1 ZINC000140449548 KK Annotated Reactive CC[C@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2CCC3=C(C(=O)O[C@@H]3C)[C@@]12C ZINC000140452311 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[S@@](=O)[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000140458301 KK Annotated Anodyne COc1cc(OC)c2c(O)c(C(C)=O)c(C)c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)C(=O)C=C(C)C4=O)c2c1 ZINC000140470922 KK Annotated Mild CN1C[C@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140473588 KK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000140477450 KK Annotated Mild CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccccn2)s1 ZINC000140479836 KK Annotated Anodyne C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC3)C(C)C ZINC000140485688 KK Annotated Mild CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3c(Br)cc(Br)cc3C[C@@H]12 ZINC000140498995 KK Annotated Reactive COC1=CC(=O)[C@]2(c3cc(=O)c4c(O)cc(O)cc4o3)[C@@H](CC=C(C)[C@H]2C[C@@H]2[C@@]3(C)C[C@@H](O)CC(C)(C)[C@@H]3CC[C@@]2(C)O)C1=O ZINC000140514811 KK Annotated Mild C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3cc(Br)c[nH]3)=CCC[C@H]21 ZINC000140518377 KK Annotated Anodyne C=C1C(=O)C[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000140526238 KK Annotated Mild C=C1C(=O)C[C@H]2C(C)(C)C[C@H](O)C[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000140526406 KK Annotated Mild C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000140526584 KK Annotated Mild C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC)OC ZINC000140527427 KK Annotated Mild CO[C@@H]1CC(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/c2ccc(C)c(C)c2C)=C(C)C1=O ZINC000140528380 KK Annotated Mild CC/C=C/CCCCCCCCCCCCC[C@H](O)C[C@H]1C[C@H](O)C[C@@]2(C[C@@H]3OC(=O)C=C[C@@H]3O2)O1 ZINC000140537119 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(\C)[C@H]1Cc2c(O)ccc(O)c2-c2oc3cc(O)cc(O)c3c(=O)c21 ZINC000140548076 KK Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@H]1Cc2c(O)ccc(O)c2-c2oc3cc(O)cc(O)c3c(=O)c21 ZINC000140548249 KK Annotated Mild O=C1C[C@H](c2ccccc2)[C@]2(Cc3ccccc3)OC(=O)[C@](O)(Cc3ccccc3)[C@]2(Cc2ccccc2)O1 ZINC000140549959 KK Annotated Anodyne CN1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140560930 KK Annotated Anodyne CC(=O)O[C@@H]1CC(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@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000140562296 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2nccs2)s1 ZINC000140565258 KK Annotated Anodyne CCCC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H](C3=C([C@@H](C)C(=O)OC)C=C[C@@](C)(CC[C@H]2OC(=O)CCC)O3)[C@@H]1C ZINC000140576009 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000140576516 KK Annotated Mild C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)O ZINC000140576712 KK Annotated Reactive C/C=C/[C@H](C)/C=C(/C)C/C=C/CCc1nc(-c2nc([C@@H](C[C@@H]3C[C@H](O)C[C@@](C)(OC)O3)OC)co2)co1 ZINC000140596945 KK Annotated Anodyne C/C=C/[C@H](C)/C=C(/C)C/C=C/CCc1nc(-c2nc([C@H](C[C@@H]3C[C@H](O)C[C@@](C)(OCC)O3)OC)co2)co1 ZINC000140597240 KK Annotated Anodyne C/C=C/[C@H](C)/C=C(/C)C/C=C/CCc1nc(-c2nc([C@H](C[C@@H]3C[C@H](O)C[C@@](C)(OCCCC)O3)OC)co2)co1 ZINC000140597793 KK Annotated Anodyne CC(=O)O[C@]1(C)CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]12C[C@]13CCC(=O)C(C)(C)O[C@H]3CC[C@H]2C ZINC000140612799 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1coc(Cc2cnco2)n1 ZINC000140616320 KK 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@@]2(O)[C@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000140623939 KK Annotated Mild CC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)O1 ZINC000140625937 KK Annotated Mild C=C1CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)Cc1cc(NC2=CC(=O)C=C(C[C@@]3(C)[C@H](C)CC[C@]4(C)C(C)=CCC[C@@H]43)C2=O)ccc1O ZINC000140627616 KK Annotated Mild CCC(=O)O[C@H](C)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@@H](OC(=O)C[C@H](C)O)C[C@@H]12 ZINC000140630535 KK Annotated Anodyne C=CCCCCCCC[C@@H](O)[C@H]1C[C@H](OC(=O)CCCCCCCCCCCCC)[C@H](CCCCC)O1 ZINC000140632335 KK Annotated Mild C=CCCCCCCC[C@@H](O)[C@H]1C[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](CCCCC)O1 ZINC000140632672 KK Annotated Mild COc1cc(O)c(/C=C/[C@H](C[C@H](CCc2ccc(O)cc2)OO)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000140635330 KK Annotated Reactive CC1=CC(=O)CC(C)(C)/C1=C/C(=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 ZINC000140638895 KK Annotated Mild CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCCCl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 ZINC000140639690 KK Annotated Reactive CCCCCCCCCCC/C=C\CCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000140639797 KK Annotated Mild COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3N(C)CC2)CCN1C ZINC000140657165 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3[C@@H]([C@@H]4OC4(C)C)[C@@](CC=C(C)C)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000140661012 KK Annotated Anodyne Cc1cc2c(cc1[C@H](OCc1ccc(SC(F)(F)F)cc1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C ZINC000140683137 KK Annotated Anodyne Cc1cc2c(cc1[C@@H](OCc1ccc(SC(F)(F)F)cc1)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C ZINC000140683326 KK Annotated Anodyne C[C@H]1[C@H](OC(=O)c2ccccc2)CC[C@H]2[C@]3(C)CC[C@]45C(=O)O[C@H](C[C@]4(C)[C@H]3CC[C@@]21C)[C@@]1(C)CCC(C)(C)C[C@H]15 ZINC000140689227 KK Annotated Anodyne COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@]53OO4)cc1 ZINC000140713177 KK Annotated Reactive COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 ZINC000140713344 KK Annotated Reactive CCO[C@@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000140715086 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000140735532 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000140750054 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000140750238 KK Annotated Mild COc1cc2c(cc1C(C)C)[C@H](O)[C@H](Oc1cc3c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]31C)[C@H]1C(C)(C)CCC[C@]21C ZINC000140762468 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@]2(C)CCC[C@](C)(OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]3Cc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000140762767 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC)cc31)c1cc(C)cc(O)c1C2=O ZINC000140765008 KK Annotated Anodyne COC(=O)c1cc2cc(NC(=O)c3cc4cc(NC(=O)c5cc(NC(=O)OC(C)(C)C)cs5)ccc4[nH]3)ccc2[nH]1 ZINC000140765820 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000140767199 KK Annotated Mild CC(=O)O[C@@H]1CC(C)=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@@H](CC3(C)C)C[C@@]4(C)O)C(=O)O2)C(C)(C)C1 ZINC000140776098 KK Annotated Mild CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(Cl)c(Cl)c1 ZINC000140785855 KK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2O[C@H]3C(c4ccc(Cl)cc4)=Nc4ccccc4N3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000140794133 KK Annotated Bother CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000140802462 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000140826150 KK Annotated Anodyne O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000140874477 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@H]1C[C@H]2[C@@](C)(CC[C@H]3[C@@](C)([C@H](C)OC(C)=O)CCC[C@@]32C)[C@@H]2CCC3=C(C(=O)O[C@@H]3C)[C@@]12C ZINC000140899865 KK Annotated Anodyne COc1cc(C)cc2c1C(=O)c1c(O)cc(O)c(Cl)c1[C@H]2[C@H]1c2cc(O)cc(O)c2C(=O)c2c(OC)cc(C)cc21 ZINC000140900888 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4cccc(O)c4)=C2OC1(C)C)C3=O ZINC000140933987 KK Annotated Mild C=C(C)/C=C/[C@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000140934180 KK Annotated Mild CN1CCC[C@H]1CNc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000140950222 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)CC[N+]1(C)[O-] ZINC000140959361 KK Annotated Bother CC(C)=CC[C@H]1C[C@@]23C[C@H](/C=C/C(C)(C)O)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000140961731 KK Annotated Mild CC(C)=CC[C@H]1C[C@]23C[C@H](/C=C/C(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000140961929 KK Annotated Mild CC(C)=CC[C@H]1C[C@]23C[C@H](C[C@H](O)C(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000140962141 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1cc3c(c(O)c1OC)CCN(C)[C@H]3C2 ZINC000140970658 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN=C3C2 ZINC000140971035 KK Annotated Anodyne COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)C3=CC[C@@H]([C@H]4CO[C@H](C=C(C)C)C4)[C@]3(C)CC[C@H]12 ZINC000140980218 KK Annotated Anodyne CCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N+](C)(C)CCCCCCCCCCCCCCCC ZINC000140983342 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@]3(C[C@@H](C(C)(C)O)OC3=C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000140989134 KK Annotated Mild CC1=CCC[C@H]2[C@@](C)(CCC3=CC(=O)N(/C=C(\CC[C@]4(C)[C@@H]5CCC=C(C)[C@]5(C)CC[C@H]4C)CC(=O)O)C3=O)[C@H](C)CC[C@@]12C ZINC000141012279 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@]3(C[C@H](C(C)(C)O)OC3=C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000141015880 KK Annotated Mild CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@H]3CC[C@]2(C)[C@@H](Br)CC1 ZINC000141029666 KK Annotated Reactive C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O1 ZINC000141252685 KK Annotated Anodyne CCCCC[C@@H]1[C@H](C(=O)N2CCCCC2)C=C[C@H](c2ccc3c(c2)OCO3)[C@H]1/C=C/C(=O)N1CCCCC1 ZINC000141273029 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(C)c3)c[nH]2)c1 ZINC000141318772 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(C)c3)c[nH]2)c1 ZINC000141318952 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3OC(=O)c1ccccc1 ZINC000141363503 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3OC(=O)c1ccccc1 ZINC000141363700 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3OC(=O)c1ccccc1 ZINC000141363883 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3OC(=O)c1ccccc1 ZINC000141364058 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](OC(=O)c4ccccc4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3OC(=O)c1ccccc1 ZINC000141364250 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](OC(=O)c4ccccc4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3OC(=O)c1ccccc1 ZINC000141364439 KK Annotated Anodyne Cc1cc(C2=NO[C@@](c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)sc1C(=O)NCC(=O)NCC(F)(F)F ZINC000141368345 KK Annotated Anodyne CC(=O)[C@@]1(O[C@@H]2CCCCO2)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H](O[C@H]3CCCCO3)C[C@@]21C ZINC000141389986 KK Annotated Anodyne CCN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141390130 KK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@]3(O)CC[C@@H](C(=O)O)C(C)(C)C3)s2)c1 ZINC000141407277 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@@H]2CCCCN2)s1 ZINC000141429269 KK Annotated Anodyne COc1cc2c(cc1O)CCc1c(-c3c(O)c(OC)c(OC)c4c3CCc3cc(O)c(OC)cc3-4)c(O)c(OC)c(OC)c1-2 ZINC000141441533 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C)c[nH]2)c1 ZINC000141469069 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C)c[nH]2)c1 ZINC000141469279 KK Annotated Anodyne O=C(/C=C/c1ccc2c(c1)[C@@H](C(=O)c1ccc(O)cc1O)[C@H](c1ccc(O)cc1)O2)c1ccc(O)cc1O ZINC000141472014 KK Annotated Mild CC(C)[C@H](O)C(=O)N(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000141482737 KK Annotated Anodyne C=C1CC[C@@H]2OC(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CCC(=O)C(C)(C)O[C@H]2CC[C@@]1(C)OC(C)=O ZINC000141507785 KK Annotated Mild CN(CCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)c1ccccc1 ZINC000141514991 KK Annotated Anodyne C=C1/C=C(\C)[C@@H](C)C[C@H](O)CC(=O)[C@H](O)[C@@H](O)[C@H](C)C[C@H](C)OC(=O)/C(C)=C/CCCC[C@@H]2O[C@H]2C[C@H](C)C1 ZINC000141607024 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(O)c(O)c(OC)c3Oc3cc(O)cc(CCc4ccc(O)cc4)c32)cc1 ZINC000141614375 KK Annotated Clean COc1ccc(CCc2cc(OC)c(O)c3c2[C@@H](Cc2ccc(OC)cc2)c2cc(O)c(O)c(OC)c2O3)cc1 ZINC000141614891 KK Annotated Clean Cc1cn(-c2ccc(-c3nc(Nc4cc(C(F)(F)F)ccc4F)n(C)n3)cc2OC(F)(F)F)cn1 ZINC000141621258 KK Annotated Mild CCCC[C@@H](NC(=O)Nc1cccc(C#N)c1)c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000141654818 KK Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)Nc4cccc(C#N)c4)c3)sc2C1 ZINC000141656074 KK Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5ccncc5)cc4)c3)sc2C1 ZINC000141658508 KK Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5cccnc5)n4)c3)sc2C1 ZINC000141658704 KK Annotated Anodyne CCCC[C@@H](NC(=O)c1ccc(OC)c(OC)c1)c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000141659314 KK Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@@H]4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000141660512 KK Annotated Anodyne CN1CCc2nc(NC(=O)c3cccc([C@H]4CCCCN4C(=O)Nc4ccc(C#N)cc4)c3)sc2C1 ZINC000141660706 KK Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-c3cnco3)cc2)c1 ZINC000141660921 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(C)=O)c[nH]2)c1 ZINC000141666355 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3C(C)=O)c[nH]2)c1 ZINC000141666556 KK Annotated Anodyne CC(C)N1CC[C@H](N(C)C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3sc(C(=O)O)cc32)C1 ZINC000141680573 KK Annotated Anodyne CC(C)N1CC[C@@H](N(C)C(=O)Cn2c(-c3ccccc3)c(C3CCCCC3)c3sc(C(=O)O)cc32)C1 ZINC000141680750 KK Annotated Anodyne N#Cc1ccc(NC(=O)OCc2cccc(C(=O)Nc3nc4c(s3)C[C@@H](NCCC(F)(F)F)CC4)c2)cc1 ZINC000141714567 KK Annotated Anodyne CC1(C)C[C@@](O)(c2ncc(-c3cc(Cl)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC[C@@H]1C(=O)O ZINC000141739705 KK Annotated Anodyne CC(=O)c1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000141746030 KK Annotated Mild CC(=O)c1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000141746243 KK Annotated Mild CC(=O)c1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000141746458 KK Annotated Mild CC(C)C(=O)c1c2c(c(O)c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)[C@@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O ZINC000141773989 KK Annotated Anodyne CC(C)C(=O)c1c2c(c(O)c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)[C@H](C(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O ZINC000141774184 KK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807750 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000141807930 KK Annotated Anodyne Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141822165 KK Annotated Anodyne Cc1cc(Nc2cc(C(C)(C)C)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141822396 KK Annotated Anodyne CCOC(=O)[C@@H]1CC[C@@](O)(c2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC1(C)C ZINC000141845720 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cnccn2)s1 ZINC000141854236 KK Annotated Anodyne CN1CCCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000141859712 KK Annotated Anodyne CC(=O)N1CCC[C@@H](COc2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)C1 ZINC000141896071 KK Annotated Anodyne CC(=O)N1CCC[C@@H](COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)C1 ZINC000141896265 KK Annotated Anodyne CC(=O)N1CCC[C@H](COc2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)C1 ZINC000141896499 KK Annotated Anodyne CC(=O)N1CCC[C@H](COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)C1 ZINC000141896756 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141902480 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)c(Cl)cn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141902679 KK Annotated Anodyne Cc1cc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)nc(Nc2cc(C(F)(F)F)ccn2)c1Br ZINC000141919945 KK Annotated Anodyne Cc1cc(Nc2cc(OC3CCCCC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141920341 KK Annotated Anodyne Cc1cc(Nc2cc(OC3CCCCC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141920540 KK Annotated Anodyne O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)C2 ZINC000141923925 KK Annotated Anodyne COC(=O)CNc1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5occ(C)c5c4)nc(C)n3)c2)cn1 ZINC000141926260 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CCC[C@@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000141929915 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000141930124 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(N)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141943158 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(N)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141943383 KK Annotated Anodyne Cc1cc(Nc2cc(-c3nnc(C)o3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141949261 KK Annotated Anodyne Cc1cc(Nc2cc(-c3nnc(C)o3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141949466 KK Annotated Anodyne Cc1cc(Nc2cc(-n3ccc(C)n3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141952264 KK Annotated Anodyne Cc1cc(Nc2cc(-n3ccc(C)n3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141952452 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(P(=O)(O)O)ccc43)s2)c1 ZINC000141953702 KK Annotated Anodyne O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000141958834 KK Annotated Anodyne O=C(c1cscn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000141965418 KK Annotated Anodyne Cc1cc(Nc2cc(OC(C)(C)C)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141968882 KK Annotated Anodyne Cc1cc(Nc2cc(OC(C)(C)C)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000141969078 KK Annotated Anodyne CCCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000141976498 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000141983964 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CC[C@@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000141985181 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000141985380 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CC[C@@H](O)C4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141987445 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CC[C@H](O)C4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000141987674 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(CO)c(F)cc43)s2)c1 ZINC000141991653 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(CO)c(F)cc43)s2)c1 ZINC000141991862 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)c(F)cc43)s2)c1 ZINC000141997195 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)c(F)cc43)s2)c1 ZINC000141997407 KK Annotated Anodyne Cc1cc(Nc2cc(OC(C)C)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142014870 KK Annotated Anodyne Cc1cc(Nc2cc(OC(C)C)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142015066 KK Annotated Anodyne CCCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000142023223 KK Annotated Anodyne O=C(O)c1cncc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000142027551 KK Annotated Anodyne O=C(O)c1cccc(N2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)c1 ZINC000142027766 KK Annotated Anodyne COc1cc(-c2nc(Nc3cc(C(F)(F)F)ccc3F)n(CC(C)(C)O)n2)ccc1-n1cnc(C)c1 ZINC000142029394 KK Annotated Anodyne CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 ZINC000142031664 KK Annotated Anodyne CCCc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000142032049 KK Annotated Anodyne CCCc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000142032261 KK Annotated Anodyne O=C(c1cncs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000142050313 KK Annotated Anodyne COc1c(C(=O)O)ccc2c1CCC[C@@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000142058029 KK Annotated Anodyne COc1c(C(=O)O)ccc2c1CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000142058239 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)CCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000142058843 KK Annotated Mild CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@H](NC(=O)OCC)CC2)C1CC1 ZINC000142059447 KK Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@H](Cc1cccc(Cl)c1)[C@@H](NC(=O)OCC)CC2)C1CC1 ZINC000142059666 KK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(OCC(F)(F)F)CC3)c(F)c2)n1 ZINC000142061175 KK Annotated Anodyne Cc1ncccc1NC(=O)c1ccc2c(c1)CC[C@@H]1C[C@@](O)(CCC(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000142082712 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000142112263 KK Annotated Anodyne Cc1cc(Nc2cc(-c3ccsc3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142121802 KK Annotated Anodyne Cc1cc(Nc2cc(-c3ccsc3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142122001 KK Annotated Anodyne C[C@@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(Oc2ccc(F)cc2)cn1 ZINC000142132538 KK Annotated Anodyne C[C@H](Nc1ncc(F)c(N2C(=O)OC(C)(C)[C@H]2c2ccccc2)n1)c1ccc(Oc2ccc(F)cc2)cn1 ZINC000142132751 KK Annotated Anodyne O=C(c1nccs1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000142138909 KK Annotated Anodyne Cc1cc(Nc2cc(-n3cccn3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142149621 KK Annotated Anodyne Cc1cc(Nc2cc(-n3cccn3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142149832 KK Annotated Anodyne O=C(c1ccco1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2 ZINC000142156199 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCNCC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142181262 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NC#N)ccc43)s2)c1 ZINC000142192761 KK Annotated Anodyne Cc1cc(Nc2cc(OC3CCCC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142193881 KK Annotated Anodyne Cc1cc(Nc2cc(OC3CCCC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142194082 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142204386 KK Annotated Anodyne Cc1cc(Nc2cc(-n3cc(C)cn3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142204599 KK Annotated Anodyne Cc1cc(Nc2cc(-n3cc(C)cn3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142204812 KK Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H](N)CC3)c1 ZINC000142205491 KK Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H](N)CC3)c1 ZINC000142205706 KK Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H](N)CC3)c1 ZINC000142205896 KK Annotated Anodyne Cc1csc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H](N)CC3)c1 ZINC000142206095 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccccc3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142212946 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCCN)CC[C@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142237766 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCCN)CC[C@@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142237941 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1CCCCCCN)CC[C@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142238150 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1CCCCCCN)CC[C@@](C)(COc1ccc(/C=C3\SC(=O)N(C)C3=O)cc1)O2 ZINC000142238385 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 ZINC000142251236 KK Annotated Anodyne F/C(=C1\SC(NC(=S)c2ccc(C(F)(F)F)cc2)=NC1(C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000142252676 KK Annotated Mild N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280484 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280662 KK Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142280828 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142281033 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(N)=O)ccc43)s2)c1 ZINC000142283415 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(N)=O)ccc43)s2)c1 ZINC000142283630 KK Annotated Anodyne COC(=O)c1cc2c(cc1F)[C@](O)(c1ncc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)s1)CCC2 ZINC000142286028 KK Annotated Anodyne COC(=O)c1cc2c(cc1F)[C@@](O)(c1ncc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)s1)CCC2 ZINC000142286250 KK Annotated Anodyne CO[C@]1(c2ncc(-c3cc(C)cc(Nc4nccc(C(F)(F)F)n4)c3)s2)CC[C@H](C(=O)O)C(C)(C)C1 ZINC000142297184 KK Annotated Anodyne CCC(=O)Nc1cc(N[C@H](C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)c2ccccc2)ccc1Cl ZINC000142298745 KK Annotated Anodyne CCC(=O)Nc1cc(N[C@@H](C(=O)Nc2nc3c(C(F)(F)F)cc4[nH]ncc4c3s2)c2ccccc2)ccc1Cl ZINC000142298956 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Sc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000142307845 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(Br)ccc43)s2)c1 ZINC000142328704 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(Br)ccc43)s2)c1 ZINC000142328890 KK Annotated Anodyne Cc1cc(Nc2cc(O[C@@H]3CCOC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142346940 KK Annotated Anodyne Cc1cc(Nc2cc(O[C@H]3CCOC3)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142347164 KK Annotated Anodyne Cc1cc(Nc2cc(O[C@@H]3CCOC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142347374 KK Annotated Anodyne Cc1cc(Nc2cc(O[C@H]3CCOC3)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000142347573 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000142369394 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000142394298 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000142394519 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000142432841 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000142433071 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C[C@](C)([C@]1(C)CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1/C=C/c1ccoc1)[C@@H]2/C=C/c1ccoc1 ZINC000142500005 KK Annotated Anodyne C=C1[C@@H]([C@@]2(C)C=CC(=O)OC(C)(C)[C@@H]2CC(=O)OC)[C@@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132 ZINC000142530151 KK Annotated Mild N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000142555606 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000142555814 KK Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000142556016 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000142556229 KK Annotated Anodyne Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)NCCCN4CCCC4=O)C(C)(C)C3)s2)c1 ZINC000142591053 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000142597719 KK Annotated Anodyne CONC(=O)c1ccc2c(c1)CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000142599480 KK Annotated Anodyne COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc(-c2ccc(C)cc2)c1 ZINC000142616176 KK Annotated Anodyne COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2Cl)cc(-c2ccc(C)cc2)c1 ZINC000142616385 KK Annotated Anodyne COC[C@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000142626537 KK Annotated Anodyne COC[C@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000142626745 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000142626954 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000142627155 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C)C4=CC[C@@]5(C)[C@@H]6C[C@](C)(CO)CC[C@]6(C)CC[C@]5(C)C4=CC[C@H]3C2(C)C)ccc1O ZINC000142655819 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)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 ZINC000142656054 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1 ZINC000142686489 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2s1 ZINC000142686702 KK Annotated Anodyne CC(C)n1nc(C(=O)O)cc1[C@@H]1C[C@@](O)(c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)C1 ZINC000142730865 KK Annotated Anodyne CO[C@@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C(=O)O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 ZINC000142746303 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(O)ccc(OS(=O)(=O)O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000142760665 KK Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142761938 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142762148 KK Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142762360 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CCCCC3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142762569 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3OC)c[nH]2)c1 ZINC000142767589 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3OC)c[nH]2)c1 ZINC000142767811 KK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000142778953 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCNCC4)nc3)c2)cc(-c2ccc(Cl)c(F)c2)n1 ZINC000142788457 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccc(F)cn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000142794887 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ncccc4F)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000142817005 KK Annotated Anodyne C/C1=C\[C@H](C)CC[C@H](C(Cl)(Cl)Cl)OC(=O)C[C@@H]([C@@H]2C[C@H]2Cl)OC(=O)/C=C/[C@@H]2[C@@H]1CC=C1C(=O)NC[C@@]12C ZINC000142817722 KK Annotated Reactive CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000142837916 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4cc(F)ccn4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000142839461 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccc(F)cc4)cc3)c2Nc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000142839885 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cc(C)cs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142846781 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cc(C)cs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142846976 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cc(C)cs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142847188 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cc(C)cs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142847388 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(OC)c3)c[nH]2)c1 ZINC000142867960 KK Annotated Anodyne CCOc1cc(OC(C)C)c(F)c([C@H](Nc2ccc(C(=N)N)cc2)c2nc(-c3cccc(OC)c3)c[nH]2)c1 ZINC000142868172 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000142903298 KK Annotated Anodyne CC(C)(C)OC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000142922507 KK Annotated Anodyne COc1ccc(N(CC(=O)NCCCSc2ccccc2)C(=O)CCSC2=C(C)C(=O)c3ccccc3C2=O)cc1 ZINC000142927980 KK Annotated Mild Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C5)C4)CC2)nc1 ZINC000142950323 KK Annotated Mild O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H]1C(=O)Nc2sc3c(c2C(=O)N1Cc1ccc(Cl)cc1)CCCC3 ZINC000142964366 KK Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)[C@H]1C(=O)Nc2sc3c(c2C(=O)N1Cc1ccc(Cl)cc1)CCCC3 ZINC000142964575 KK Annotated Anodyne CCO[C@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000142968011 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)CC2 ZINC000142973334 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)cc1)[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC000142973538 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@H](NC(=O)OC(C)(C)C)CC2 ZINC000142973724 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)cc1)[C@@H](NC(=O)OC(C)(C)C)CC2 ZINC000142973875 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C)cc2)N(c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000142974174 KK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@]32C)[C@@H](OC(C)=O)O1 ZINC000142985196 KK Annotated Anodyne C=C1C[C@@H](OC(=O)CCCC[C@@H](O)CCCCCCCCCCCC)/C=C(\C)CC[C@@H]2[C@@H]1CC2(C)C ZINC000142986471 KK Annotated Mild Cc1cccc(-c2n[nH]c(C3CN(Cc4ccc(-c5nc6nc(C)nn6c(C)c5-c5ccccc5)cc4)C3)n2)n1 ZINC000143027711 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)C[C@@H]1c3c(c(OC)c(OC)c4c3Oc3cc5c(cc3O4)CCN=C5C2)CCN1C ZINC000143028630 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2)C1CCC1 ZINC000143047036 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2)C1CCC1 ZINC000143047248 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)C1CCC1 ZINC000143047457 KK Annotated Anodyne O=S(=O)(NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)C1CCC1 ZINC000143047657 KK Annotated Anodyne COc1ccc(CC[N+](C)(C)[O-])cc1[C@H]1CC(C)=C[C@@H](c2cc(CCN(C)C)ccc2OC)[C@H]1C(C)(C)O ZINC000143092550 KK Annotated Bother COc1cc(O)c(Cc2c(O)cc(OC)c3c2O[C@H](c2ccccc2)CC3)c2c1CC[C@@H](c1ccccc1)O2 ZINC000143101665 KK Annotated Anodyne C[C@@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCN(C5CCOCC5)CC4)c3)ncc21 ZINC000143111349 KK Annotated Anodyne C[C@H]1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCN(C5CCOCC5)CC4)c3)ncc21 ZINC000143111554 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccccc3Cl)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143128801 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143129736 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccccc3OC)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143129926 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(C(F)(F)F)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143130586 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143130821 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccccc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143131463 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(Cl)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143131665 KK Annotated Anodyne COc1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000143133443 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143144369 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(F)cc3F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143144992 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(F)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143145207 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccccc3F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143145418 KK Annotated Anodyne COc1cc(OCc2csc(N3CCC(F)(F)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143145612 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143145830 KK Annotated Anodyne Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000143156013 KK Annotated Mild O=C(O)c1ccc(NC(=O)c2c(Oc3ccc(F)cc3F)cc(C(F)(F)F)cc2C(F)(F)F)cc1 ZINC000143169324 KK Annotated Mild CCOC(=O)N[C@@H]1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143174249 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143174461 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143174662 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNC(=O)OC(C)(C)C)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143174872 KK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@@H]3[C@@]2(C)CC[C@@H]2C(C)(C)CCC[C@@]23C)[C@@H](OC(C)=O)O1 ZINC000143175742 KK Annotated Anodyne Cc1cc(F)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1 ZINC000143184572 KK Annotated Mild COc1cc(OCc2csc(-c3ccc(C(N)=O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143185812 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195573 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195771 KK Annotated Anodyne CCOC(=O)N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195990 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143196193 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143198128 KK Annotated Anodyne CC[C@@](O)(c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1)C(F)(F)F ZINC000143199009 KK Annotated Anodyne CC[C@](O)(c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1)C(F)(F)F ZINC000143199208 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000143199834 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C4COC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143200059 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CCCC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143201568 KK Annotated Anodyne CCOC(=O)N[C@H]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143211546 KK Annotated Anodyne COc1ccc(CCN(C)C)cc1[C@H]1CC(C)=C[C@@H](c2cc(CCN(C)C)ccc2OC)[C@H]1C(C)(C)O ZINC000143215865 KK Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OC[C@H](F)CO2 ZINC000143230744 KK Annotated Anodyne O=S(=O)(N[C@@H](c1cc2ccccc2s1)c1ccccc1Cl)c1ccc2c(c1)OC[C@@H](F)CO2 ZINC000143231625 KK Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3ccccc3OC)c2)C(C)C)ccc1OC ZINC000143237266 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccc(C(=O)OC(C)(C)C)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143243807 KK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000143246688 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000143246906 KK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000143247122 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000143247324 KK Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143248878 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000143249071 KK Annotated Anodyne N[C@@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143249291 KK Annotated Anodyne N[C@H]1CCc2ccc(OCCNS(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000143249486 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000143251699 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000143251898 KK Annotated Anodyne CCC(=O)O[C@H](C)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](OC(=O)C[C@H](C)O)C[C@@H]12 ZINC000143265634 KK Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(Oc3ccccc3)c2)C(C)C)ccc1OC ZINC000143273577 KK Annotated Anodyne COc1cc(OCc2csc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143279417 KK Annotated Anodyne C/C=C(/COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)OC/C=C/c1ccc(OC)cc1 ZINC000143284849 KK Annotated Anodyne COc1ccc(CCOC[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)cc1OC ZINC000143290655 KK Annotated Anodyne COc1cc(OCc2csc(C3(O)CCN(C(=O)OC(C)(C)C)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143299862 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@H](O[C@@H]3CCOC3)CC2)[C@@H](O)C1 ZINC000143302733 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@H](O[C@H]3CCOC3)CC2)[C@@H](O)C1 ZINC000143302913 KK Annotated Anodyne COc1cc(OCc2csc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143303897 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)C[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)C[S@@]3=O ZINC000143304006 KK Annotated Anodyne C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@@H]1C(=C)C=O ZINC000143305351 KK Annotated Reactive COc1cc(OCc2nc(C3(F)CCOCC3)sc2C(F)(F)F)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143311815 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CCCCCCCCCCCCCCCCC ZINC000143315636 KK Annotated Mild CC(C)(O)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000143320415 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4C)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000143320782 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4cccc(C)c4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000143323183 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](Nc1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000143327163 KK Annotated Mild COc1cc(OCc2csc(C3(O)CCN(C(=O)c4ccccc4)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143328489 KK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(CC=C(C)C)c(O)c(O)c21 ZINC000143329443 KK Annotated Clean COc1cc(OCc2csc(C3CCN(S(=O)(=O)C(C)C)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143330625 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc(C)c2)cc1 ZINC000143332146 KK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc3c(c(O)c21)OC(C)(C)C=C3 ZINC000143336685 KK Annotated Anodyne CCN1CCC[C@@H]1CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143339906 KK Annotated Anodyne CCN1CCC[C@H]1CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143340121 KK Annotated Anodyne CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1 ZINC000143340761 KK Annotated Reactive COc1cc(OCc2csc(C3CCN(C(=O)c4ccccc4)CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143347548 KK Annotated Anodyne COc1cc(OCc2csc([C@]3(c4ccccc4F)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143349886 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(c4ccccc4F)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143350086 KK Annotated Anodyne C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H](C#CC#C[C@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O ZINC000143356135 KK Annotated Mild C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H](C#CC#C[C@@H](O)CC45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O ZINC000143356322 KK Annotated Mild COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N7CCCC7)cc6)n5)cc(F)cc4o3)nc2s1 ZINC000143356750 KK Annotated Anodyne C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H](C#CC#C[C@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O ZINC000143358135 KK Annotated Mild COc1cc(OCc2csc(C3(F)CCOCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000143358182 KK Annotated Anodyne CCN(CCC#N)C(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000143359760 KK Annotated Anodyne CNC(=O)c1ccc(-c2nc(COc3cc(F)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c(C)s2)cc1 ZINC000143361013 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N(C)CC#N)cc6)n5)cc(F)cc4o3)nc2s1 ZINC000143363257 KK Annotated Anodyne COc1cc(OCc2csc(C3(F)C[C@H](C)O[C@@H](C)C3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000143364780 KK Annotated Anodyne COc1cc(OCc2csc(C3(F)C[C@@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000143364982 KK Annotated Anodyne COc1cc(OCc2csc(N3CCOCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000143365220 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(Cl)cc6)n5)cc(Cl)cc4o3)nc2s1 ZINC000143365446 KK Annotated Anodyne CCCCCN[C@@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143367803 KK Annotated Anodyne CCCCCN[C@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143367938 KK Annotated Anodyne CCCCCN[C@@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143368169 KK Annotated Anodyne CCCCCN[C@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143368318 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)NCC(F)(F)F)cc6)n5)cc(F)cc4o3)nc2s1 ZINC000143371143 KK Annotated Anodyne COc1cc(OCc2csc(C3(O)CCOCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000143371324 KK Annotated Anodyne CN(C)CCN(Cc1ccccc1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143388056 KK Annotated Anodyne OC1CCC(Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)CC1 ZINC000143412885 KK Annotated Anodyne CN(Cc1ccccc1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143431022 KK Annotated Anodyne COc1cc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)ccc1F ZINC000143445312 KK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(CO)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143445773 KK Annotated Anodyne NC1(c2ccc(-c3nc4c5ccc(-c6ccc(F)c(O)c6)cc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143445988 KK Annotated Anodyne CN(c1ccccc1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143449403 KK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6ccc(F)c(CO)c6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143450047 KK Annotated Anodyne NC1(c2ccc(-c3nc4c5cc(-c6ccc(S(N)(=O)=O)cc6)ccc5nn4cc3-c3ccccc3)cc2)CCC1 ZINC000143450249 KK Annotated Anodyne CS(=O)(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1 ZINC000143453781 KK Annotated Anodyne NC(=O)c1cccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1 ZINC000143454022 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(Nc3ccccn3)nc2c1Br ZINC000143455705 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CN(C)C)[C@H](OC(=O)CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000143470250 KK Annotated Mild Cc1nccn1C[C@@H]1CCCN(c2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143491414 KK Annotated Anodyne Cc1nccn1C[C@H]1CCCN(c2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143491640 KK Annotated Anodyne NC1CCC(Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)CC1 ZINC000143491892 KK Annotated Anodyne Nc1cc(F)c(F)cc1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143496381 KK Annotated Anodyne CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)N(CCO)C3)c2ccc(C(F)(F)F)cc2O1 ZINC000143502338 KK Annotated Anodyne CN(C)[C@@H]1CCCN(c2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143506209 KK Annotated Anodyne CN(C)[C@H]1CCCN(c2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143506415 KK Annotated Anodyne CN1CCC[C@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)CC1 ZINC000143506839 KK Annotated Anodyne CN1CCC[C@@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)CC1 ZINC000143507060 KK Annotated Anodyne CNCCCN(Cc1ccccc1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143513606 KK Annotated Anodyne CC(C)N[C@@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143526261 KK Annotated Anodyne CC(C)N[C@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143526461 KK Annotated Anodyne CC(C)N[C@@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143526664 KK Annotated Anodyne CC(C)N[C@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143526876 KK Annotated Anodyne CCOc1ccc(-c2ccc3c(C(N)=O)cn(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)c3n2)cn1 ZINC000143533121 KK Annotated Anodyne N[C@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143534820 KK Annotated Anodyne N[C@@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143535020 KK Annotated Anodyne N[C@@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143535213 KK Annotated Anodyne N[C@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143535411 KK Annotated Anodyne CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccccc3)s1)c1c(O)ccc(C(F)(F)F)c12 ZINC000143538349 KK Annotated Anodyne C=C1C/C=C\[C@@](C)(O)CC[C@H]2[C@H]1CO[C@@]2(/C=C/C=C(C)C)COC(=O)CCCCCCCCCCCCCCCCCC ZINC000143541706 KK Annotated Mild Brc1c(Br)c(Br)c2[nH]c(N3CCC(C4CCNCC4)CC3)nc2c1Br ZINC000143543230 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(NC3CCCCCCC3)nc2c1Br ZINC000143559187 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(NCCc3ccccn3)nc2c1Br ZINC000143568784 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(NCC3CCNCC3)nc2c1Br ZINC000143593090 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N[C@@H]3CCCNCC3)nc2c1Br ZINC000143593302 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N[C@H]3CCCNCC3)nc2c1Br ZINC000143593522 KK Annotated Anodyne N[C@@H]1CC=CC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143596738 KK Annotated Anodyne N[C@H]1CC=CC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143596948 KK Annotated Anodyne N[C@@H]1CC=CC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143597154 KK Annotated Anodyne N[C@H]1CC=CC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143597354 KK Annotated Anodyne NCc1cccc(CNc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)c1 ZINC000143597765 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(Nc3ccncc3)nc2c1Br ZINC000143598441 KK Annotated Anodyne Nc1ccccc1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143604742 KK Annotated Anodyne N[C@@H]1CCC[C@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143622097 KK Annotated Anodyne N[C@H]1CCC[C@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143622301 KK Annotated Anodyne N[C@@H]1CCC[C@@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143622527 KK Annotated Anodyne N[C@H]1CCC[C@@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1 ZINC000143622704 KK Annotated Anodyne CC(C)n1c(N2CCNCC2)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000143645058 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N[C@H]3COC[C@@H]3N3CCCCC3)nc2c1Br ZINC000143672422 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H](O)C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C1\COC(=O)c3cc(C)c(O)cc31)O2 ZINC000143675212 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H](O)C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C1/COC(=O)c3cc(C)c(O)cc31)O2 ZINC000143675417 KK Annotated Anodyne O[C@@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143675459 KK Annotated Anodyne O[C@H]1CCCC[C@@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143675660 KK Annotated Anodyne O[C@@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143675842 KK Annotated Anodyne O[C@H]1CCCC[C@H]1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143676053 KK Annotated Anodyne NCc1ccccc1CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000143689542 KK Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)[C@@H]2[C@H](OC(=O)CC(C)C)[C@@H](OC(C)=O)C(C)=C(CC/C(C)=C/CO)[C@@]2(C)C1 ZINC000143699115 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@@H]1C[C@@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724573 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724788 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143724981 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@H]1C[C@H]1c1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000143725191 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143737609 KK Annotated Anodyne COC(=O)c1ccc([C@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143740730 KK Annotated Mild COC(=O)c1ccc([C@@H]2C(C(=O)c3cccc(Cl)c3)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1 ZINC000143740957 KK Annotated Mild O=C(N[C@@H](CCCCN[C@@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143745098 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@H]1C[C@@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143745314 KK Annotated Anodyne O=C(N[C@@H](CCCCN[C@H]1C[C@H]1c1ccccc1)C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000143745533 KK Annotated Anodyne COc1ncc(-c2ccc3c(Nc4cc(C(=O)O)cc(C5CCCC5)c4)c(S(=O)(=O)NC4CC4)cnc3c2)c(OC)n1 ZINC000143765056 KK Annotated Anodyne CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1 ZINC000143805299 KK Annotated Reactive F[C@@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](F)CN7)cc6o5)cc4)[nH]c3c2)NC1 ZINC000143820355 KK Annotated Anodyne NCCCNc1cc(-c2cc3ccc(C4=NCCCN4)cc3[nH]2)ccc1-c1cc2ccc(C3=NCCCN3)cc2o1 ZINC000143830683 KK Annotated Anodyne F[C@@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](F)CN7)cc6o5)s4)[nH]c3c2)NC1 ZINC000143832248 KK Annotated Anodyne Clc1c(-c2ccc(-c3[nH]c4cc(C5=NCCCN5)ccc4c3Cl)cc2)[nH]c2cc(C3=NCCCN3)ccc12 ZINC000143838116 KK Annotated Anodyne CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)(C)C)c5ccccc5)cccc4o3)nc2s1 ZINC000143849547 KK Annotated Anodyne CSc1nn2cc(-c3nc4c(OC[C@@H]5CCCN5C(=O)[C@H](NC(=O)c5ccccc5)c5ccccc5)cccc4o3)nc2s1 ZINC000143853775 KK Annotated Anodyne CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5C[C@@H]([C@H]6OC6(C)C)OC5=O)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000143874688 KK Annotated Anodyne CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)(C)C)c5ccccc5)cccc4o3)nc2s1 ZINC000143874844 KK Annotated Anodyne CSc1nn2cc(-c3nc4c(OC[C@H]5CCCN5C(=O)[C@H](NC(=O)c5ccccc5)c5ccccc5)cccc4o3)nc2s1 ZINC000143876188 KK Annotated Anodyne NC(=O)n1cc(NC(=O)N2[C@H](C(=O)Nc3cccc(OC(F)(F)F)c3)CC[C@@H]2c2ccccc2)c2ccccc21 ZINC000143881842 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC[C@@H](CCC)OC)OC)OC)OC)OC)OC)OC ZINC000143888349 KK Annotated Mild COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000143888513 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC[C@@H](CCC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000143888573 KK Annotated Mild CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 ZINC000143890185 KK Annotated Anodyne CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 ZINC000143890379 KK Annotated Anodyne COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000143918127 KK Annotated Mild CC[C@H](C)CN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000144021863 KK Annotated Anodyne COc1ccc2c(=O)c3c(n(C)c2c1OC)OC(C)(C)[C@@H]1[C@@H]3C[C@]2(C)C[C@@H]1c1c(c3ccc(OC)c(OC)c3n(C)c1=O)O2 ZINC000144125370 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC[C@H](NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000144126741 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC[C@@H](NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000144126927 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(NC(=O)OC(C)(C)C)CC6)cc5c4)n3c2)cn1 ZINC000144127161 KK Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000144133913 KK Annotated Anodyne O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Br)cccc3Br)cc2c1 ZINC000144140121 KK Annotated Anodyne Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3ccc(Br)cc3)CC2)c1 ZINC000144175602 KK Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(CCCC2(O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000144183860 KK Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CC2(O)CCN(C(=O)CN(C)C(=O)OC(C)(C)C)CC2)cc1 ZINC000144187392 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@H]1C ZINC000144235294 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@H]1C ZINC000144235493 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000144254785 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)CC)[C@H](C)[C@H]1C ZINC000144258163 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](C)[C@@H]1C ZINC000144258358 KK Annotated Anodyne C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O2)O1)C[C@@H](C)/C=C/C=C1\COC(=O)c2cc(C)c(O)cc21 ZINC000144260602 KK Annotated Anodyne O=S(=O)(Nc1ccc2oc(-c3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1)C(F)(F)F ZINC000144290605 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(O)ccc(O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000144315036 KK Annotated Anodyne CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1 ZINC000144322590 KK Annotated Anodyne CC(C)C(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1 ZINC000144322828 KK Annotated Anodyne O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1)C1CC1 ZINC000144323058 KK Annotated Anodyne O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1)C1CC1 ZINC000144323297 KK Annotated Anodyne O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1)C1CCC1 ZINC000144323537 KK Annotated Anodyne O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2cccc(F)c2)cc1)C1CCC1 ZINC000144323728 KK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326016 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326220 KK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326443 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000144326652 KK Annotated Anodyne COC(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)/C=C/C=C(\C)C(=O)CCC(C)(C)OC ZINC000144328248 KK Annotated Mild Clc1ccc(Cl)c(CN2CCN(c3nc4ccc(Br)cc4nc3NC3CC3)CC2)c1 ZINC000144344096 KK Annotated Anodyne CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(\C)[C@@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000144360186 KK Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4cccc(Br)c4nc3NC3CC3)CC2)c1 ZINC000144409201 KK Annotated Anodyne Clc1ccc(Cl)c(CN2CCN(c3nc4cc(Br)ccc4nc3NC3CC3)CC2)c1 ZINC000144432599 KK Annotated Anodyne C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cnc2ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2c1 ZINC000144480234 KK Annotated Anodyne COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1[C@@H]1CCCC(F)(F)C1 ZINC000144491368 KK Annotated Anodyne COc1cccc2c1OCC[C@]21CNC[C@H]1C(=O)N1CC[C@@H](c2ccccc2)C[C@H]1[C@H]1CCCC(F)(F)C1 ZINC000144491563 KK Annotated Anodyne CC(C)Oc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000144504339 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)nc2)cc1C ZINC000144507568 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cccc(C(F)(F)F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144515417 KK Annotated Anodyne COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2ccc(Cl)nc2)c1 ZINC000144516442 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000144516657 KK Annotated Anodyne COc1cc(OCc2cccc(C3(F)CCOCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000144517079 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(F)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144517508 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C#N)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144517929 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144518133 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cnc(OC)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144518346 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ncc(Cl)cc3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144518550 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(Cl)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144518784 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C(=O)N4CCOCC4)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144519000 KK Annotated Anodyne COc1ccc(-c2nccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)n2)cc1 ZINC000144519219 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccc(F)cc5)nc4-c4ccc(F)cc4)CC3)OC2=O)cc1 ZINC000144519443 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144519627 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 ZINC000144519831 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cnc(C#N)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144520404 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ncc(Cl)cc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144520608 KK Annotated Anodyne COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2cnc(OC)nc2)c1 ZINC000144520864 KK Annotated Anodyne COc1cc(OCc2cncc(-c3ccc(Cl)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144521297 KK Annotated Anodyne COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)nc1 ZINC000144521502 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cnc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144521723 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ncc(Cl)cc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144521925 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cnc(OC)cc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144522111 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(F)cn3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000144522342 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C(F)(F)F)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144522555 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(Cl)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000144522739 KK Annotated Anodyne COc1ccc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)n2)cc1 ZINC000144522931 KK Annotated Anodyne COc1cc(OCc2cccc(C3(OC)CCOCC3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000144523435 KK Annotated Anodyne CCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl ZINC000144524945 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(OC)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144531459 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000144532347 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4nn(Cc5ccc(Cl)cc5)cc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000144534212 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@]24OC(=O)[C@@]5(CC[C@@H](C)[C@H](C)[C@H]52)CC[C@]43C)C1(C)C ZINC000144535037 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC[C@]3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144543582 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC[C@@]3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144543803 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4nn(Cc5ccc(Cl)cc5)cc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000144544661 KK Annotated Anodyne CC(C)(C)Cn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(Cl)c2)n1 ZINC000144544890 KK Annotated Anodyne COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC[C@]3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 ZINC000144545508 KK Annotated Anodyne COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC[C@@]3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 ZINC000144545706 KK Annotated Anodyne Cc1cc(-c2ccc(C(F)(F)F)nc2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1Cl ZINC000144546886 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2Cl)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144549918 KK Annotated Anodyne CC(C)n1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(OCc3ccccc3)ccc21 ZINC000144550803 KK Annotated Anodyne CCCn1cc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)n1 ZINC000144553552 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000144557212 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144559154 KK Annotated Anodyne CC(C)Oc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000144559580 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1 ZINC000144570516 KK Annotated Anodyne COc1ccccc1-c1nn(C(C)(C)C)cc1CN1CCC2(CC1)CN(c1ccc(C(=O)O)cc1)C(=O)O2 ZINC000144571489 KK Annotated Anodyne CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC[C@]3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000144576263 KK Annotated Anodyne CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC[C@@]3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000144576483 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(-c4nn[nH]n4)cc2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1 ZINC000144585503 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4-c4ccc(F)nc4)CC3)OC2=O)cc1 ZINC000144587196 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)n1 ZINC000144587417 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1 ZINC000144590409 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144591166 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4c(Cc5cc(F)c(F)cc5F)nn(-c5ccccc5)c4Cl)CC3)OC2=O)cc1 ZINC000144591388 KK Annotated Anodyne COC(=O)CC[C@]1(C)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)[C@@]1(C)CC2 ZINC000144593480 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccc6ccccc6c5)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000144599221 KK Annotated Anodyne CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4ccccc4c3=O)Cc3ccc(C#N)cc3)ccc21 ZINC000144600638 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(F)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144601814 KK Annotated Anodyne CCCCn1nc(Cc2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1Cl ZINC000144603323 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1N1CC2(CCN(Cc3cn(C(C)(C)C)nc3-c3ccc(F)c(F)c3F)CC2)OC1=O ZINC000144603751 KK Annotated Anodyne CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144606688 KK Annotated Anodyne Cc1cc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1Cl ZINC000144608511 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4nc(C5CC5)oc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 ZINC000144608968 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2C)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144609258 KK Annotated Anodyne CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144612820 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cnn(-c5ccccc5)c4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000144613431 KK Annotated Anodyne CC(C)(C)n1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(Cl)c(F)cc21 ZINC000144615381 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4nc5ccccn5c4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000144615587 KK Annotated Anodyne Cc1cc(N2CC3(CCN(Cc4cn(C(C)(C)C)nc4-c4cc(F)c(Cl)cc4F)CC3)OC2=O)ccc1C(=O)O ZINC000144615820 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000144615847 KK Annotated Mild O=C(O)c1ccc(N2CC3(CCN(Cc4cn(CC(F)(F)F)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000144616023 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(Cl)c2)C(=O)O3)c(-c2cc(F)c(Cl)cc2F)n1 ZINC000144616671 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5cccc6c5OCCO6)nc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000144617543 KK Annotated Anodyne Cc1cc(-c2ccc(F)nc2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1Cl ZINC000144622884 KK Annotated Anodyne CC(C)(C)n1cc(CN2CC[C@@]3(C2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623543 KK Annotated Anodyne CC(C)(C)n1cc(CN2CC[C@]3(C2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1 ZINC000144623787 KK Annotated Anodyne Cc1cccn2c(-c3cc(F)c(F)cc3F)c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)nc12 ZINC000144624225 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(Cl)c2)n1 ZINC000144625025 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2cc(F)c(F)cc2F)cc1C ZINC000144640163 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2F)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144640359 KK Annotated Anodyne Cc1ccc(-n2cc(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)c(-c3ccc(F)c(F)c3F)n2)c(C)c1 ZINC000144642962 KK Annotated Anodyne CC(C)(C)c1nc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)s1 ZINC000144647217 KK Annotated Anodyne CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000144654538 KK Annotated Anodyne COc1c(-c2cn(C(C)C)nc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)ccc(F)c1F ZINC000144655207 KK Annotated Anodyne CCCCn1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(Cc2cc(F)c(F)cc2F)n1 ZINC000144655438 KK Annotated Anodyne CCNC(=O)Nc1nc2cc(-c3cnc(C(C)(C)O)nc3)cc(-c3cc(CN4CCC(F)(F)C4)ccn3)c2s1 ZINC000144661963 KK Annotated Anodyne O=c1occ(-c2ccc(O)cc2[N+](=O)[O-])c2c1C=C/C(=C\C=C1/C=Cc3c(c(-c4ccc(O)cc4[N+](=O)[O-])coc3=O)O1)O2 ZINC000144675659 KK Annotated Bother COc1cc2c(c(O)c1C(=O)[C@@H]1[C@H](CC=C(C)C)C(C)=CC[C@H]1c1ccccc1)C=C[C@@](C)(CCC=C(C)C)O2 ZINC000144678030 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C[C@@H](O)C2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000144680831 KK Annotated Mild CC(=O)CCCC(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/C1=C(C)C[C@H](O)CC1(C)C ZINC000144689477 KK Annotated Mild CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(C)c2)C(=O)O3)c1 ZINC000144691970 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 ZINC000144700191 KK Annotated Anodyne CN1CCN(CCNC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000144747366 KK Annotated Anodyne COc1ccc(CCc2cc(OC)c3c(c2)O[C@H](c2cc(O)c(O)c(OC)c2)[C@@H](c2ccc(OC)cc2)O3)cc1 ZINC000144756239 KK Annotated Clean COc1ccc(CCc2cc(OC)c(O)c3c2[C@@H](Cc2ccc(O)cc2)c2cc(O)c(O)c(OC)c2O3)cc1 ZINC000144756647 KK Annotated Clean COC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1 ZINC000144788073 KK Annotated Anodyne CCCCOC(=O)N1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)CC1 ZINC000144801512 KK Annotated Anodyne CC(C)(C)OC(=O)c1ccc(-c2cc(-c3cccnc3)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 ZINC000144808566 KK Annotated Anodyne CC(C)(C)OC(=O)c1ccc(-c2cc(-c3cccnc3)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 ZINC000144808760 KK Annotated Anodyne Cc1c(C(=O)NC2CCN(C(=O)OC(C)C)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000144835322 KK Annotated Anodyne OCCn1cc(-c2cc(OCCC34CC5CC(CC(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144871227 KK Annotated Anodyne OCCn1cc(-c2cc(OCCC34CC5CC(CC(C5)C3)C4)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144871394 KK Annotated Anodyne NC(=O)Cn1cc(-c2cc(OCCC34CC5CC(CC(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144871966 KK Annotated Anodyne NC(=O)Cn1cc(-c2cc(OCCC34CC5CC(CC(C5)C3)C4)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 ZINC000144872155 KK Annotated Anodyne Cn1cc(-c2cc(OCCC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144880942 KK Annotated Anodyne Cn1cc(-c2cc(OCCC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144881128 KK Annotated Anodyne Cn1cc(-c2cc(OCCC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144881334 KK Annotated Anodyne OCCn1cc(-c2cc(OCCC34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144882804 KK Annotated Anodyne OCCn1cc(-c2cc(OCCC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144883016 KK Annotated Anodyne OCCn1cc(-c2cc(OCCC34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 ZINC000144883243 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C=C(O)C1=O ZINC000144889668 KK 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=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)C=C(O)C1=O ZINC000144889854 KK Annotated Mild CC(C)C(=O)c1c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144972439 KK Annotated Anodyne CC(C)C(=O)c1c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144972632 KK Annotated Anodyne CC(C)C(=O)c1c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144972803 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144977773 KK Annotated Mild CC(C)CC(=O)c1c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144977976 KK Annotated Mild CC(C)CC(=O)c1c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144978195 KK Annotated Mild Cc1ncc(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(CCC(F)(F)F)CC[C@@]32Cc2ccccc2)c(C)n1 ZINC000144981548 KK Annotated Anodyne CCCCCC(=O)c1c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144982149 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144982365 KK Annotated Mild Cc1ncccc1NC(=O)c1ccc2c(c1)[C@H](O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000144982418 KK Annotated Anodyne CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144982546 KK Annotated Mild CC(C)[C@@H](C1=C(O)c2ccccc2C1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144983156 KK Annotated Mild CC(C)[C@H](C1=C(O)c2ccccc2C1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144983360 KK Annotated Mild CC(C)[C@H](C1=C(O)c2ccccc2C1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@@H](C2=C(O)c3ccccc3C2=O)C(C)C)c1O ZINC000144983561 KK Annotated Mild COc1cc(-c2cn([C@@H]3CCc4c(ccc(Br)c4F)N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000144985622 KK Annotated Anodyne CC1=CCCC(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=C/C1=C(C)[C@@H](O)CCC1(C)C ZINC000144995516 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000014514079 KK Annotated Mild world CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000014514081 KK Annotated Mild in-man endogenous CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C3O[C@@H](C(C)(C)O)C[C@@]3(C2=O)C1(C)C ZINC000014514084 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000014514089 KK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000014514092 KK Annotated Mild CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000014514113 KK Annotated Mild CC(C)=CCC1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000014514116 KK Annotated Mild CC(C)=CC[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C(=O)c4ccccc4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000014514125 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C([C@H](CCC)CC(=O)O)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000014555264 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CC=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C([C@H](CCC)CC(=O)OC)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000014555276 KK Annotated Mild in-vitro biogenic CC1=C[C@H]2c3c(CCN(C)C)c4ccccc4n3[C@H](c3[nH]c4ccccc4c3CCN(C)C)[C@H]2C(C)(C)C1 ZINC000014558013 KK Annotated Anodyne CC(C)=CCc1c2c(c3oc4c(c(=O)c3c1O)CC(=C(C)C)Oc1cc(O)c(O)cc1-4)C=CC(C)(C)O2 ZINC000014559285 KK Annotated Clean in-man endogenous O=C1O[C@@]2(Cc3ccccc3)C(=C1Cc1ccccc1)[C@@](O)(c1ccccc1)[C@@H](O)C[C@@H]2c1ccccc1 ZINC000014585000 KK Annotated Anodyne O=C1O[C@@]2(Cc3ccccc3)C(=C1Cc1ccccc1)[C@](O)(c1ccccc1)C(=O)C[C@@H]2c1ccccc1 ZINC000014585013 KK Annotated Anodyne O=C(O)C[C@H](c1ccccc1)[C@@]1(Cc2ccccc2)OC(=O)C(Cc2ccccc2)=C1C(=O)c1ccccc1 ZINC000014585033 KK Annotated Mild CCC[C@@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585301 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585303 KK Annotated Mild CCC[C@@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585305 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)CC(C)C)C(=O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585307 KK Annotated Mild CCC[C@@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@@H](C)CC)C(=O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585308 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@@H](C)CC)C(=O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585310 KK Annotated Mild CCC[C@@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@H](C)CC)C(=O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585312 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@H](C)CC)C(=O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000014585313 KK Annotated Mild CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(CC=C(C)C)c(O)c3c2O[C@H](c2ccccc2)CC3=O)c1O ZINC000014585799 KK Annotated Anodyne C/C=C/CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@@H](CC)OC)C(C)=O ZINC000014589435 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)ccc2O1 ZINC000014592958 KK Annotated Anodyne COc1c(O)ccc2cc(/C=C/[C@@]3(C)CCC(C)=C[C@H]3c3cc4ccc(O)c(OC)c4oc3=O)c(=O)oc12 ZINC000014594073 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)C[C@@H]2c1cccc2c1[nH]c1c3c(c(C)cc12)OC(C)(C)C=C3 ZINC000014611026 KK Annotated Anodyne Cc1cc2c([nH]c3ccc([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cc32)c2c1OC(C)(C)C=C2 ZINC000014611039 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@@H]1[C@@H]3CC(C)(C)Oc4c(C)cc5c6ccccc6n(c5c43)[C@H]21 ZINC000014611123 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@@H]1[C@@H]3CC(C)(C)Oc4c(C)cc5c6ccccc6n(c5c43)[C@@H]21 ZINC000014611125 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@H]1[C@@H]3CC(C)(C)Oc4c(C)cc5c6ccccc6n(c5c43)[C@H]21 ZINC000014611127 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@H]1[C@@H]3CC(C)(C)Oc4c(C)cc5c6ccccc6n(c5c43)[C@@H]21 ZINC000014611129 KK Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc4c([nH]c5c6c(c(C)cc54)OC(C)(C)C=C6)c3[C@@H]2CO)cc(OC)c1O ZINC000014611210 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc4c([nH]c5c6c(c(C)cc54)OC(C)(C)C=C6)c3[C@H]2CO)cc(OC)c1O ZINC000014611212 KK Annotated Anodyne C=CC(C)(C)N[C@H](C(=O)N1CCC[C@@H]1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C ZINC000014611386 KK Annotated Mild COC1=CC(=O)C(O)=C/C1=C1\C=C(c2ccccc2)c2cc3c(cc2O1)OC[C@@H](c1ccc(OC)cc1O)C3 ZINC000014612785 KK Annotated Mild CC1=C[C@H](c2c(O)c3c(c([C@@H]4C=C(C)CC[C@@H]4C(C)C)c2O)O[C@@H](c2ccccc2)CC3=O)[C@H](C(C)C)CC1 ZINC000014613032 KK Annotated Anodyne CC1=C[C@@H](c2c(O)c([C@H]3C=C(C)CC[C@@H]3C(C)C)c(O)c3c2O[C@@H](c2ccccc2)CC3=O)[C@@H](C(C)C)CC1 ZINC000014613033 KK Annotated Anodyne CC1=C[C@@H](c2c(O)c3c(c([C@@H]4C=C(C)CC[C@@H]4C(C)C)c2O)O[C@@H](c2ccccc2)CC3=O)[C@H](C(C)C)CC1 ZINC000014613034 KK Annotated Anodyne CC1=C[C@@H](c2c(O)c3c(c([C@@H]4C=C(C)CC[C@@H]4C(C)C)c2O)O[C@@H](c2ccccc2)CC3=O)[C@@H](C(C)C)CC1 ZINC000014613035 KK Annotated Anodyne CCCCC[C@H]1C=C[C@@H](C(=O)N2CCCCC2)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1 ZINC000014613702 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000014616148 KK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000014616149 KK Annotated Mild COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4ccnc(c24)C3=O)cc1OC ZINC000014619623 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H](Cc2cccc(Oc3c(O)cccc3CCc3ccc(O)cc3)c2)OC)cc(O)c1O ZINC000014636019 KK Annotated Clean in-vitro biogenic COc1cc(O)c(C(=O)[C@H]2[C@@H](c3ccccc3)CC=C(C)[C@@H]2CC=C(C)C)c2c1C=C[C@](C)(CCC=C(C)C)O2 ZINC000014636861 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCC#C/C=C/CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000014649397 KK Annotated Mild COc1c(OC)c(-c2c[nH]c3ccc(CC=C(C)C)cc23)c(OC)c(OC)c1-c1c[nH]c2ccc(O)cc12 ZINC000014650136 KK Annotated Anodyne CC(/C=C\C=C\C=C(/C)C(=O)N[C@@H](C)CO)=C\C(C)=C\[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1 ZINC000014650641 KK Annotated Anodyne C=Cc1c(C)c(O)cc2c1-c1cc(-c3c(O)c(C)c(C=C)c4c3ccc3c(C)c(O)ccc34)c(O)c(C)c1CC2 ZINC000014650661 KK Annotated Bother COC(=O)c1cccc2nc3c([C@H](C)c4ccc(C(=O)OC)c5nc6ccccc6nc45)cccc3nc12 ZINC000014651295 KK Annotated Bother CCCCCC(=O)Cc1cc(OC)c(O)c2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCCCC)c1O2 ZINC000014654309 KK 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)COC(=O)/C(C)=C/C(=O)O ZINC000014654653 KK Annotated Anodyne in-man endogenous CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C2=O ZINC000014660233 KK Annotated Mild CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C2=O ZINC000014660235 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)C=C3)C1(C)C ZINC000014660247 KK Annotated Mild CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)C=C3)C1(C)C ZINC000014660250 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)CC3)C1(C)C ZINC000014660253 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000014684032 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000014684033 KK Annotated Mild in-man endogenous COc1ccc2c(c1)OC[C@H](c1cc3c(-c4ccc(O)cc4)cc(-c4ccc(O)cc4OC)oc-3cc1=O)C2 ZINC000014685691 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)ccc2c1O[C@]1(O)C(=O)c3c(O)cc(O)cc3O[C@]21CC=C(C)C ZINC000014690546 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12Oc3cc(O)cc(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000014690550 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000014690552 KK Annotated Anodyne in-vitro COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)C[C@@H](C)[C@@](C)(O)C2 ZINC000014692428 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)C[C@H](C)[C@@](C)(O)C2 ZINC000014692430 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)C[C@@H](C)[C@](C)(O)C2 ZINC000014692432 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)C[C@H](C)[C@](C)(O)C2 ZINC000014692434 KK Annotated Anodyne in-vitro biogenic Cc1cc2c3cc(C)c(O)c4c(=O)c5c(c(c6c7c(c(=O)c(c1O)c26)[C@@H](C)O[C@@H](C)C7)c43)C[C@H](C)O[C@@H]5C ZINC000014693323 KK Annotated Bother Cc1cc2c3cc(C)c(O)c4c(=O)c5c(c(c6c7c(c(=O)c(c1O)c26)[C@H](C)O[C@H](C)C7)c43)C[C@H](C)O[C@@H]5C ZINC000014693325 KK Annotated Bother COC(=O)C1=C(c2c(/C(=C\c3ccc(O)cc3)C(=O)OC)[nH]c3ccccc23)C(=O)c2[nH]c3ccccc3c21 ZINC000014693394 KK Annotated Mild O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)cc2)C=C1 ZINC000014695485 KK Annotated Mild COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c-2cc(Cc2ccc(O)cc2)c(O)c1CC=C(C)C ZINC000014709578 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\C(=O)NCCC[N+](C)(C)CCCC[N+](C)(C)CCCN ZINC000014709659 KK Annotated Bother CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2c(c(O)cc3c2CN([C@@H](Cc2ccccc2)C(=O)O)C3=O)C[C@H]1O ZINC000014710466 KK Annotated Anodyne COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1cc2c(cc1O)O[C@H](c1cc(O)ccc1OC)CC2 ZINC000014710625 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@]1(O)Oc3cc(O)ccc3[C@@]1(CC=C(C)C)O2 ZINC000014712306 KK Annotated Anodyne CC1(C)C=Cc2c(ccc(C(=O)[C@H]3C(c4c(O)cccc4O)=C[C@@]4(C)C[C@@H]3c3ccc(O)cc3O4)c2O)O1 ZINC000014712312 KK Annotated Anodyne Cc1c2c(c(C)c3c1[nH]c1ccccc13)[C@@H]1Oc3ccc4[nH]c5c(C)c6ccncc6c(C)c5c4c3N1CC2 ZINC000014717235 KK Annotated Bother CCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1 ZINC000014721722 KK Annotated Anodyne in-vitro biogenic CCCC(=O)Oc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000014721726 KK Annotated Clean in-vitro biogenic CCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000014721728 KK Annotated Anodyne in-vitro biogenic CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)c(Cl)c(OC)c(Cl)c3OC)[C@@H](OC(C)=O)[C@@H]2CO1 ZINC000014723262 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC/C=C\C#CCCCCCCCC[C@H](O)C#CC#CC#CCO ZINC000014765198 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C/CCCCC#CCCCCC[C@H](O)C#CC#CCO ZINC000014765213 KK Annotated Mild OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000014765217 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C/C(=O)CCCCCCCCC[C@H](O)C#CC#CCO ZINC000014823886 KK Annotated Mild C[C@H]1CC(=O)c2cc3c(O)cc(O)c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c3cc2O1 ZINC000014826852 KK Annotated Anodyne C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O ZINC000014856104 KK Annotated Reactive C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O ZINC000014856106 KK Annotated Reactive CC(C)CCCCCCCCCCCC(=O)O[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000014858980 KK Annotated Anodyne CC(C)CCCCCCCCCCCC(=O)O[C@H]([C@H](C)O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000014858987 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)O[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000014858992 KK Annotated Anodyne Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O ZINC000014859623 KK Annotated Mild in-vitro biogenic Cc1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O ZINC000014859625 KK Annotated Mild in-vitro 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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000014879957 KK Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N(Cc1ccc(-c2cc3ccccc3o2)s1)C(=O)c1ccc(Cl)cc1Cl ZINC000014880307 KK Annotated Anodyne in-vivo O=C(O)[C@H](Cc1ccccc1)N(Cc1ccc(-c2cc3ccccc3o2)s1)C(=O)c1ccc(Cl)cc1Cl ZINC000014880309 KK Annotated Anodyne in-vitro CC(=O)O[C@@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@@](C)(O)C1 ZINC000014880557 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@]1(O[C@H](c3ccc(Cl)c(Cl)c3)[C@@H](C(=O)Nc3ccc(-c4csnn4)cc3)[C@@H]1C(=O)O)C2=O ZINC000014881174 KK Annotated Clean in-vivo CC[C@H](C)[C@@H](OC(C)=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@@H]1C2=O ZINC000014929164 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@@H]2O ZINC000014943027 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@H]2O ZINC000014943028 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@@H]2O ZINC000014943029 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@H]2O ZINC000014943030 KK Annotated Anodyne COc1ccc2c(O)c([C@@H](c3cccc(NS(=O)(=O)c4cccc5cccnc45)c3)C3CC3)c(=O)oc2c1 ZINC000014943332 KK Annotated Anodyne COC(=O)c1cccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000014943412 KK Annotated Anodyne COC(=O)c1cccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)c1 ZINC000014943413 KK Annotated Anodyne CCCCOc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000014943420 KK Annotated Anodyne CCCCOc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000014943421 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1OC ZINC000014943440 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1OC ZINC000014943441 KK Annotated Anodyne CCC[C@@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000014943448 KK Annotated Anodyne CCC[C@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000014943449 KK Annotated Anodyne CC(C)[C@@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000014943450 KK Annotated Anodyne CC(C)[C@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000014943451 KK Annotated Anodyne CC(C)C[C@@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000014943452 KK Annotated Anodyne CC(C)C[C@H](c1cccc(NS(=O)(=O)c2cccc3cccnc23)c1)c1c(O)c2c(oc1=O)CCCCCC2 ZINC000014943453 KK Annotated Anodyne N#CN=C1N(CC2CCCCC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CCCCC1 ZINC000014943473 KK Annotated Mild CCCCC[C@H]1OC1(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000014943795 KK Annotated Anodyne C#CCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000014943797 KK Annotated Mild C=CCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000014943799 KK Annotated Mild COC(=O)c1cc(C(=CCCCc2ccccc2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943801 KK Annotated Anodyne COC(=O)CCCC=C(c1cc(C(=O)OC)c(OC)c(C(F)(F)F)c1)c1cc(C(=O)OC)c(OC)c(C(F)(F)F)c1 ZINC000014943803 KK Annotated Anodyne CCOC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943805 KK Annotated Anodyne CCCOC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943807 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)OC(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943809 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)N(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943811 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)N2CCCCC2)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943813 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(OC)OC)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943815 KK Annotated Anodyne CCOC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000014943821 KK Annotated Anodyne COC(=O)c1cc(C(=CCCNC(=O)OCC(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000014943827 KK Annotated Anodyne CC[C@@H](CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 ZINC000014943848 KK Annotated Anodyne CC[C@H](CCCC=C(c1cc(Cl)c(OC)c(CO)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 ZINC000014943851 KK Annotated Anodyne CC[C@@H](CCC/C=C(\c1cc(Cl)c(OC)c(C=O)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 ZINC000014943853 KK Annotated Anodyne CC[C@H](CCC/C=C(\c1cc(Cl)c(OC)c(C=O)c1)c1cc(Cl)c(OC)c(CO)c1)C1OCCO1 ZINC000014943855 KK Annotated Anodyne CC(C)(c1ccccc1)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 ZINC000014944214 KK Annotated Anodyne CC(C)(c1ccccc1)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccccc1 ZINC000014944217 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(Cl)cc2C(=O)N(CCO)C(C)(C)c2ccccc2)CCCC1 ZINC000014944219 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(Cl)cc2C(=O)N(CCO)C(C)(C)c2ccccc2)CCCC1 ZINC000014944222 KK Annotated Anodyne O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1 ZINC000014944314 KK Annotated Reactive Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(C#N)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(C#N)ccc21 ZINC000014944330 KK Annotated Reactive O=S1(=O)N(Cc2ccccc2/C=C/c2ccccc2)C[C@H](O)[C@@H](O)CN1Cc1ccccc1/C=C/c1ccccc1 ZINC000014944592 KK Annotated Anodyne CC(C)c1cccc(-c2ccccc2CN2C[C@H](O)[C@@H](O)CN(Cc3ccccc3-c3cccc(C(C)C)c3)S2(=O)=O)c1 ZINC000014944607 KK Annotated Anodyne CSc1ccccc1-c1ccccc1CN1C[C@H](O)[C@@H](O)CN(Cc2ccccc2-c2ccccc2SC)S1(=O)=O ZINC000014944622 KK Annotated Anodyne O=S1(=O)N(Cc2ccccc2-c2cc3ccccc3o2)C[C@H](O)[C@@H](O)CN1Cc1ccccc1-c1cc2ccccc2o1 ZINC000014944626 KK Annotated Anodyne CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(NC(=O)CNC(=O)OC(C)(C)C)cc3)[nH]c(=O)c12 ZINC000014945253 KK Annotated Anodyne COc1cc(OC)cc([C@@H]2Cc3cnc(N(CCCOCc4ccccc4)C(C)=O)cc3N=C2NC(=O)NC(C)(C)C)c1 ZINC000014945355 KK Annotated Anodyne COc1cc(OC)cc([C@H]2Cc3cnc(N(CCCOCc4ccccc4)C(C)=O)cc3N=C2NC(=O)NC(C)(C)C)c1 ZINC000014945357 KK Annotated Anodyne COc1cc(OC)cc([C@@H]2Cc3cnc(N(CCCCOCc4ccccc4)C(C)=O)cc3N=C2NC(=O)NC(C)(C)C)c1 ZINC000014945359 KK Annotated Anodyne COc1cc(OC)cc([C@H]2Cc3cnc(N(CCCCOCc4ccccc4)C(C)=O)cc3N=C2NC(=O)NC(C)(C)C)c1 ZINC000014945361 KK Annotated Anodyne O=C(c1ccc2nc(Nc3ccc(S(=O)(=O)/N=C(\O)c4ccccc4)cc3)cn2c1)c1c(Cl)cccc1Cl ZINC000014945526 KK Annotated Mild O=C1N(Cc2ccc(CO)cc2)[C@H](CC2CCCCC2)[C@H](O)[C@@H](O)[C@@H](CC2CCCCC2)N1Cc1ccc(CO)cc1 ZINC000014945771 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccccc2-c2[nH]c3ccc(Br)cc3c21 ZINC000014945848 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccccc2-c2[nH]c3ccc(Br)cc3c21 ZINC000014945849 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccccc2-c2c1c1cc(Br)ccc1n2C(=O)OC(C)(C)C ZINC000014945851 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C(=O)N(C(=O)OC(C)(C)C)c2ccccc2-c2c1c1cc(Br)ccc1n2C(=O)OC(C)(C)C ZINC000014945852 KK Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)Cc2c(n(C(=O)OC(C)(C)C)c3ccc(Br)cc23)-c2ccccc21 ZINC000014945853 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1C/C=C\CCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946367 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCC/C=C/C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946369 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCC/C=C/C[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946370 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946372 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946373 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946374 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946375 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946381 KK Annotated Anodyne C[C@H]1CCCCCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000014946382 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000014946387 KK Annotated Anodyne C[C@H]1CCCCCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000014946388 KK Annotated Anodyne Cc1ccc(COC[C@@H](OCc2ccc(C)cc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000014946616 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1 ZINC000014946617 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000014946618 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000014946619 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1F)[C@@H](COCc1ccccc1)OCc1ccccc1F ZINC000014946621 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000014946622 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000014946623 KK Annotated Anodyne Cc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C)cc2)cc1 ZINC000014946624 KK Annotated Anodyne N#Cc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C#N)cc2)cc1 ZINC000014946625 KK Annotated Mild O[C@@H]([C@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1 ZINC000014946630 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1)[C@@H](COCc1ccccc1F)OCc1ccccc1 ZINC000014946632 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000014946633 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000014946634 KK Annotated Anodyne Cc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000014946635 KK Annotated Anodyne N#Cc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000014946636 KK Annotated Mild Cc1ccccc1CO[C@H](COCc1ccccc1F)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C ZINC000014946639 KK Annotated Anodyne CCCC(CC)(CC)N(CCO)C(=O)c1ccccc1C[C@@H](O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000014946663 KK Annotated Anodyne CCCC(CC)(CC)N(CCO)C(=O)c1ccccc1C[C@H](O)CCc1ccccc1C(=O)N(CCO)C(C)(C)C ZINC000014946664 KK Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1 ZINC000014946665 KK Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)C(C)(C)c1ccc2ccccc2c1 ZINC000014946666 KK Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@@H](O)Cc1ccccc1C(=O)N(CCO)[C@@]12CCCC[C@@H]1CCC2 ZINC000014946667 KK Annotated Anodyne CC(C)(C)N(CCO)C(=O)c1ccccc1CC[C@H](O)Cc1ccccc1C(=O)N(CCO)[C@@]12CCCC[C@@H]1CCC2 ZINC000014946668 KK Annotated Anodyne Cc1ccc(CC[C@@H](O)Cc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(C(=O)N(CCO)C(C)(C)C)c1 ZINC000014946669 KK Annotated Anodyne Cc1ccc(CC[C@H](O)Cc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(C(=O)N(CCO)C(C)(C)C)c1 ZINC000014946670 KK Annotated Anodyne Cc1ccc(C[C@@H](O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(C(=O)N(CCO)C(C)(C)c2ccccc2)c1 ZINC000014946671 KK Annotated Anodyne Cc1ccc(C[C@H](O)CCc2ccccc2C(=O)N(CCO)C(C)(C)C)c(C(=O)N(CCO)C(C)(C)c2ccccc2)c1 ZINC000014946672 KK Annotated Anodyne CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1C[C@@H](O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1 ZINC000014946673 KK Annotated Anodyne CCCC(CC)(CC)N(CCO)C(=O)c1cc(C)ccc1C[C@H](O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1 ZINC000014946674 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)C2CCOCC2)CCCC1 ZINC000014946675 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)C2CCOCC2)CCCC1 ZINC000014946676 KK Annotated Anodyne CCN(C(=O)c1ccccc1C[C@@H](O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1 ZINC000014946677 KK Annotated Anodyne CCN(C(=O)c1ccccc1C[C@H](O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1 ZINC000014946678 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(O)cc2)CCCC1 ZINC000014946679 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(O)cc2)CCCC1 ZINC000014946680 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(CCc2ccccc2)c2ccccc2)cc1 ZINC000014946720 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)CN(c2ccccc2)c2ccccc2)cc1 ZINC000014946721 KK Annotated Anodyne COc1cccc(CN(CC(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1OC ZINC000014946724 KK Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(N)cc1 ZINC000014946750 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC(C)C)cc1 ZINC000014946763 KK Annotated Anodyne CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1cccc2ccccc12 ZINC000014946772 KK Annotated Anodyne CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)S(=O)(=O)c1cccs1 ZINC000014946774 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](C=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1 ZINC000014946784 KK Annotated Mild Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)c2nnn[nH]2)cc1 ZINC000014946791 KK Annotated Anodyne COc1ccc(CCN(C)C)cc1[C@H]1CC(C)=C[C@@H](c2cc(CCN(C)C)ccc2OC)[C@@H]1C(C)(C)O ZINC000014948034 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3cc(Br)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949872 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949881 KK Annotated Bother CC(C)N1CCC(NC(=O)c2c(Br)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014949884 KK Annotated Anodyne N=C(N)c1ccc2[nH]cc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950736 KK Annotated Anodyne N=C(N)c1ccc2[nH]cc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950740 KK Annotated Anodyne N=C(N)c1ccc2[nH]cc([C@@H](Cc3cccc(C(=O)O)c3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950793 KK Annotated Anodyne N=C(N)c1ccc2[nH]cc([C@H](Cc3cccc(C(=O)O)c3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3F)c2c1 ZINC000014950796 KK Annotated Anodyne N=C(N)c1ccc2scc([C@@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950894 KK Annotated Anodyne N=C(N)c1ccc2scc([C@H](Cc3ccccc3)C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c2c1 ZINC000014950898 KK Annotated Anodyne Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cn(C)cn1 ZINC000014952267 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N(CCN(Cc3cncn3C)c3ccc(C#N)cc3)Cc3ccccc3)cccc12 ZINC000014952277 KK Annotated Mild O=P(O)(O)C(F)(F)c1ccc(C[C@@](Cc2ccc(-c3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000014953443 KK Annotated Anodyne O=P(O)(O)C(F)(F)c1ccc(C[C@](Cc2ccc(-c3ccccc3)cc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000014953448 KK Annotated Anodyne COc1ccc2c(c1)O[C@H]1c3cc(Cc4oc5cc(OC)c(O)cc5c4-c4ccccc4)c(O)cc3OC[C@@H]21 ZINC000014954413 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H]1c3cc(Cc4oc5cc(OC)c(O)cc5c4-c4ccccc4)c(O)cc3OC[C@H]21 ZINC000014954424 KK Annotated Anodyne COc1ccc2c(c1)O[C@H]1c3ccc(O)c(Cc4oc5cc(OC)c(O)cc5c4-c4ccccc4)c3OC[C@@H]21 ZINC000014954429 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H]1c3ccc(O)c(Cc4oc5cc(OC)c(O)cc5c4-c4ccccc4)c3OC[C@H]21 ZINC000014954439 KK Annotated Anodyne COc1cc2oc(Cc3cc4c(cc3OC)O[C@H]3c5ccc(O)cc5OC[C@@H]43)c(-c3ccccc3)c2cc1O ZINC000014954443 KK Annotated Anodyne COc1cc2oc(Cc3cc4c(cc3OC)O[C@@H]3c5ccc(O)cc5OC[C@H]43)c(-c3ccccc3)c2cc1O ZINC000014954453 KK Annotated Anodyne CCC(CC)N1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000014959624 KK Annotated Anodyne O=C(NC1CCN(C2CCCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959636 KK Annotated Anodyne O=C(NC1CCN(C2CCCCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959641 KK Annotated Anodyne O=C(NC1CCN(C2CCOCC2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959658 KK Annotated Anodyne O=C(NC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959701 KK Annotated Anodyne O=C(NC1CCN(c2ccncn2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959706 KK Annotated Anodyne O=C(NCC1CCN(c2ccncc2)CC1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1 ZINC000014959710 KK Annotated Anodyne O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Nc2ccncc2)CC1 ZINC000014959715 KK Annotated Anodyne O=C(c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1)N1CCC(Oc2ccncc2)CC1 ZINC000014959719 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3ccccc3n2Cc2nnc(-c3ccc(Cl)s3)s2)CC1 ZINC000014959782 KK Annotated Anodyne O=C(NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl)C1CCC(C(F)(F)F)CC1 ZINC000014961583 KK Annotated Anodyne CCCC[C@H](NC[C@@H]1Cc2cccc(c2)CCCCc2cc(cc(N(CCC)S(C)(=O)=O)c2)C(=O)N1)C(=O)NCC(C)C ZINC000014961984 KK Annotated Anodyne O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1)c1cccc2ccccc12 ZINC000014962042 KK Annotated Reactive O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1)c1cccc2ccccc12 ZINC000014962047 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3)cc2NC(=O)c2cc3ccccc3oc2=O)CC1 ZINC000014962093 KK Annotated Anodyne CN1[C@H]2CC[C@@H]1CC(Nc1nc(-c3ccccc3Cl)c3c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC3)C2 ZINC000014962994 KK Annotated Anodyne CC(C)N1CCC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000014962998 KK Annotated Anodyne CC1(C)CC(Nc2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC(C)(C)N1 ZINC000014963002 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(COC[C@H](O)CO)c1Cl ZINC000014963818 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1NC(=O)c1scc(COC[C@@H](O)CO)c1Cl ZINC000014963823 KK Annotated Anodyne CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)N(Cc2ccccc2)Cc2cncs2)CC1)C(=O)O ZINC000014963992 KK Annotated Anodyne CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)O[C@@H](CCC2CCCCC2)c2cncs2)CC1)C(=O)O ZINC000014963996 KK Annotated Anodyne CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)O[C@H](CCC2CCCCC2)c2cncs2)CC1)C(=O)O ZINC000014964000 KK Annotated Anodyne CCCCN(CCCC)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964444 KK Annotated Anodyne CCN(CC)CCCNc1cc(Cl)c(F)cc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964582 KK Annotated Anodyne CCN(CC)CCCNc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 ZINC000014964599 KK Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC[C@@H]2CCCN2CC2CCCCC2)ccc2c1CCCC2 ZINC000014964624 KK Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC[C@H]2CCCN2CC2CCCCC2)ccc2c1CCCC2 ZINC000014964628 KK Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC[C@@H]2CCCN2C2CCCCC2)ccc2c1CCCC2 ZINC000014964643 KK Annotated Anodyne O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC[C@H]2CCCN2C2CCCCC2)ccc2c1CCCC2 ZINC000014964648 KK Annotated Anodyne COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)ccc1NC(=O)Nc1ccccc1Cl ZINC000014966010 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)cc1Br ZINC000014966047 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCOC(=O)C(C)C)CCC3)cc1 ZINC000014966551 KK Annotated Anodyne N[C@H](CO)COCCCCCCCCCCCCCCC[C@@]12CC[C@@H](O)[C@@H](O1)[C@@H](CCCC/C=C/C(=O)O)O2 ZINC000014967276 KK Annotated Anodyne CCC(CC)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969904 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(c6ccccc6)OC[C@]54C)C[C@H]3C(=O)C[C@]12C)N(C)C ZINC000014969907 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C6CCCCC6)OC[C@]54C)C[C@H]3C(=O)C[C@]12C)N(C)C ZINC000014969911 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(Cc6ccccc6)OC[C@]54C)C[C@H]3C(=O)C[C@]12C)N(C)C ZINC000014969914 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@@H]5N=C(C(C)C)OC[C@]54C)C[C@H]3C(=O)C[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000014969929 KK Annotated Anodyne CC(C)C1=N[C@H]2CC=C3C[C@H]4C(=O)C[C@]5(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)C(C)(C)C)C[C@@]5(C)[C@@H]4CC[C@H]3[C@]2(C)CO1 ZINC000014969933 KK Annotated Anodyne C[C@@H](CNc1ccc(S(C)(=O)=O)cc1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 ZINC000014971607 KK Annotated Anodyne C[C@@H](CNc1cccc(S(C)(=O)=O)c1)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 ZINC000014971611 KK Annotated Anodyne C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2cccc(Cl)c2o1 ZINC000014971622 KK Annotated Anodyne CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 ZINC000014971643 KK Annotated Anodyne CCCC[C@H](NC(=O)O[C@H](Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)C(C)(C)C)C(=O)CNS(=O)(=O)c1ccccn1 ZINC000014972278 KK Annotated Anodyne O=C(O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 ZINC000014972504 KK Annotated Anodyne O=C(O)Cc1cccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1 ZINC000014972557 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 ZINC000014972572 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 ZINC000014972576 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 ZINC000014972580 KK Annotated Anodyne O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc([C@@H](O)C(=O)O)cc2)c1 ZINC000014972584 KK Annotated Anodyne O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc([C@H](O)C(=O)O)cc2)c1 ZINC000014972588 KK Annotated Anodyne O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(C(F)(F)C(=O)O)cc2)c1 ZINC000014972592 KK Annotated Anodyne NC(=O)Cc1ccc(CNc2cccc(-c3c(C(=O)c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1 ZINC000014972596 KK Annotated Anodyne O=C(c1ccccc1)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(NCc2ccc(CCO)cc2)c1 ZINC000014972599 KK Annotated Anodyne O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(Cl)cc2)S[C@@H]1c1cccc2c1OC(F)(F)O2 ZINC000014972859 KK Annotated Anodyne O=C(c1c(F)cc(F)cc1F)N1N=C(c2ccc(Cl)cc2)S[C@H]1c1cccc2c1OC(F)(F)O2 ZINC000014972863 KK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)cc(Br)cc2F)c1OC ZINC000014972915 KK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2c(F)cc(Br)cc2F)c1OC ZINC000014972918 KK Annotated Anodyne COc1cccc([C@@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c1OC ZINC000014972922 KK Annotated Anodyne COc1cccc([C@H]2SC(c3ccc(F)cc3)=NN2C(=O)c2cc(F)c(F)c(OC)c2F)c1OC ZINC000014972925 KK Annotated Anodyne CCCCCc1ccc(S(=O)(=O)NCCc2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000014978220 KK Annotated Anodyne COc1ccc(-c2[nH]c(-c3cccs3)nc2CCNS(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000014978241 KK Annotated Anodyne CCCCNC(=O)c1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1 ZINC000014978419 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2ccc(/N=N/c3c(C)nn(-c4ccc(Cl)cc4S(=O)(=O)O)c3O)cc2)cc1 ZINC000014979136 KK Annotated Clean in-vivo CCOC(=O)C[C@@H]([C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000014979663 KK Annotated Anodyne CCOC(=O)C[C@H]([C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000014979666 KK Annotated Anodyne CCOC(=O)C[C@@H]([C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000014979669 KK Annotated Anodyne CCOC(=O)C[C@H]([C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000014979672 KK Annotated Anodyne CCCCCCCCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000014980503 KK Annotated Mild CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCCNS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000145047448 KK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1OCCNS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000145047631 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000145050698 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O ZINC000145059425 KK 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=C/C2=C(C)C(=O)C(=O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000145097945 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]43C)C1(C)C ZINC000145120698 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000145159800 KK Annotated Mild Cn1nnc([C@@]2(F)C[C@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000145170630 KK Annotated Mild Cn1nnc([C@]2(F)C[C@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000145170827 KK Annotated Mild Cn1nnc([C@@]2(F)C[C@@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000145171017 KK Annotated Mild Cn1nnc([C@]2(F)C[C@@]3(c4ccccc4)N[C@@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000145171232 KK Annotated Mild CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000145183300 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O ZINC000145213342 KK Annotated Reactive CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)CO ZINC000145213534 KK Annotated Reactive CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](OC(=O)c4ccccc4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@@H]1CCCCO1 ZINC000145234880 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](OC(=O)c4ccccc4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@H]1CCCCO1 ZINC000145235052 KK Annotated Anodyne COCC(=O)Nc1cc(C(C)(C)Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1 ZINC000145271489 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)C=C(O)C1=O ZINC000145276619 KK Annotated Mild CC(C)(C)NC(=O)[C@@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000145282209 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000145282412 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000145283795 KK Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1cccc(F)c1)N(C(=O)Cn1nnc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000145284006 KK Annotated Anodyne COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000145316464 KK Annotated Mild COc1ncc(-c2ccc3c(Nc4cc(C(=O)O)cc([C@H](C)C(C)C)c4)c(C(N)=O)cnc3c2)c(OC)n1 ZINC000145323546 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H](C[C@@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@@H](C)C(Cl)(Cl)Cl)c1nccs1 ZINC000145324526 KK Annotated Anodyne CO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C ZINC000145340407 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000145358287 KK Annotated Anodyne COC(C)(C)CCC(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O ZINC000145359832 KK Annotated Mild CC1(C)/C=C\C2=Nc3cc(Br)ccc3[C@@]23CC(=O)N3/C=C(/Cl)c2nc(Br)[nH]c21 ZINC000145362742 KK 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000145364718 KK 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000145364917 KK Annotated Anodyne CC(C)=CCC[C@@H](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)CCC=C(C)C ZINC000145377823 KK Annotated Anodyne C[C@H]1CCCN1CCCOc1nn(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(N4CCOCC4)nc3)cc12 ZINC000145379085 KK Annotated Anodyne CC(C)(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000145422131 KK Annotated Mild 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(\C)CCCC(C)(C)O)CO ZINC000145442954 KK Annotated Anodyne COC(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)CC/C=C(\C)CCCC(C)(C)OC ZINC000145447980 KK Annotated Anodyne O=C(O)[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000145449661 KK Annotated Anodyne NC(=O)c1ccc(-c2nccc3c(-c4cnc5cc(C=O)ccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145466415 KK Annotated Anodyne CCOC(=O)[C@@H](CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)CC(C)C ZINC000145467157 KK Annotated Anodyne CCOC(=O)[C@H](CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)CC(C)C ZINC000145467310 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)CC=C1 ZINC000145474263 KK Annotated Mild CCc1nc2ncc(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCC(O)CC6)c5)nccc34)cc2[nH]1 ZINC000145489553 KK Annotated Anodyne CCNc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cccnc5)c4)cccc23)ccc1C(N)=O ZINC000145491832 KK Annotated Anodyne Cc1cc(C(N)=O)ccc1-c1cc(C(F)(F)F)nc2c(-n3cnc(-c4cnn(C(F)F)c4)c3)cccc12 ZINC000145495450 KK Annotated Anodyne CN(C)CNC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145503269 KK Annotated Anodyne CCNc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cnn(CC)c5)c4)cccc23)ccc1C(N)=O ZINC000145515321 KK Annotated Anodyne COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145515695 KK Annotated Anodyne COC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145515890 KK Annotated Anodyne CC(C)(C)Nc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cccnc5)c4)cccc23)ccc1C(N)=O ZINC000145517236 KK Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)cc(C5CC5)nc34)cn2)cn1 ZINC000145518352 KK Annotated Anodyne COC(C)(C)CCC/C(C)=C/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(=O)C(C)(C)OC ZINC000145518710 KK Annotated Mild CN(CCO)CNC(=O)c1ccc(-c2nccc3c(-c4cnc5ccccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145519234 KK Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)nc(C(F)(F)F)nc34)cn2)cn1 ZINC000145520950 KK Annotated Anodyne CC(C)OCCNc1cc(-c2cc(C(F)(F)F)nc3c(-c4cnc5ccccc5c4)cccc23)ccc1C(N)=O ZINC000145522864 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 ZINC000145534388 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 ZINC000145534604 KK Annotated Anodyne CC(C)(C)Nc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cnn(C(F)F)c5)c4)cccc23)ccc1C(N)=O ZINC000145535787 KK Annotated Anodyne CC(C)(C)Nc1cc(-c2cc(C(F)(F)F)nc3c(-c4cnc5ccccc5c4)cccc23)ccc1C(N)=O ZINC000145537236 KK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5cccnc5N5CCOCC5)s4)ccc3O2)cc1 ZINC000145538183 KK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5cccnc5N5CCOCC5)s4)ccc3O2)cc1 ZINC000145538379 KK Annotated Anodyne CC(C)(C)OC(=O)NCCc1cncc(-c2cccc3c(-c4ccc(C(N)=O)c(NC5CCC(O)CC5)c4)nccc23)c1 ZINC000145538475 KK Annotated Anodyne CCNc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cnn(C(F)F)c5)c4)cccc23)ccc1C(N)=O ZINC000145540005 KK Annotated Anodyne NC(=O)c1ccc(-c2nc(C3CC3)nc3c(-c4cnc5ccccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145540850 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C[C@@]2(c3ccccc3)N[C@H]1CC[C@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000145542716 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C[C@@]2(c3ccccc3)N[C@@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000145543131 KK Annotated Anodyne CC(C)OCCNc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5ccccc5)c4)cccc23)ccc1C(N)=O ZINC000145545046 KK Annotated Anodyne NCC(=O)OC1CCC(Nc2cc(-c3nccc4c(-c5cnc6ccccc6c5)cccc34)ccc2C(N)=O)CC1 ZINC000145549137 KK Annotated Anodyne Cc1ccc2cc(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCC(O)CC6)c5)nccc34)cnc2c1 ZINC000145558147 KK Annotated Anodyne Cc1ccc2ncc(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCC(O)CC6)c5)nccc34)cc2c1 ZINC000145558370 KK Annotated Anodyne CC(C)n1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCC(O)CC6)c5)nccc34)cn2)cn1 ZINC000145558794 KK Annotated Anodyne NC(=O)c1ccc(-c2nc(C(F)(F)F)nc3c(-c4cnc5ccccc5c4)cccc23)cc1NC1CCC(O)CC1 ZINC000145561595 KK Annotated Anodyne Cc1cc2c(-c3cnc4ccccc4c3)cccc2c(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)n1 ZINC000145566617 KK Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCCCCC6)c5)nccc34)cn2)cn1 ZINC000145566840 KK Annotated Anodyne CC(C)Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC6CCC(O)CC6)c5)nccc34)cn2)cn1 ZINC000145568205 KK Annotated Anodyne C[C@@](Cc1ccccc1)(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145573737 KK Annotated Anodyne C[C@](Cc1ccccc1)(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)C(=O)O ZINC000145573934 KK Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(F)(F)F ZINC000145577564 KK Annotated Anodyne COC(=O)[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(F)(F)F ZINC000145577750 KK Annotated Anodyne COC(=O)[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(F)(F)F ZINC000145577938 KK Annotated Anodyne COC(=O)[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(F)(F)F ZINC000145578130 KK Annotated Anodyne CCNc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000145584432 KK Annotated Anodyne Cc1ccc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145585283 KK Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145587505 KK Annotated Anodyne Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NCC6CC6)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145588710 KK Annotated Anodyne CC(C)(C)Nc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5ccccc5)c4)cccc23)ccc1C(N)=O ZINC000145589284 KK Annotated Anodyne CC(C)c1cc(-c2ccc(C(N)=O)c(NC(C)(C)C)c2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c2n1 ZINC000145593175 KK Annotated Anodyne c1ccc([C@@H]2CCc3cc(Oc4ncc(CNCc5ccnc(N6CCOCC6)c5)s4)ccc3O2)cc1 ZINC000145595918 KK Annotated Anodyne c1ccc([C@H]2CCc3cc(Oc4ncc(CNCc5ccnc(N6CCOCC6)c5)s4)ccc3O2)cc1 ZINC000145596125 KK Annotated Anodyne CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@@H](O)C1=O ZINC000145596235 KK Annotated Mild CCCNc1cc(C(N)=O)ccc1-c1cc(C(F)(F)F)nc2c(-n3cnc(-c4cnn(C)c4)c3)cccc12 ZINC000145607414 KK Annotated Anodyne Cc1cc2c(-c3cnc4ccccc4c3)cccc2c(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)[n+]1[O-] ZINC000145618964 KK Annotated Anodyne Cc1nn(C)c(C)c1CCC(=O)NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145627370 KK Annotated Anodyne CCn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NC(C)(C)C)c5)cc(C(F)(F)F)nc34)cn2)cn1 ZINC000145631413 KK Annotated Anodyne CC[C@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCC1 ZINC000145657081 KK Annotated Mild CN(Cc1ccnc(N2CCCC2)c1)C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000145667405 KK Annotated Anodyne CN(Cc1ccnc(N2CCCC2)c1)C(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000145667607 KK Annotated Anodyne O=C(O)[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(F)(F)F ZINC000145667821 KK Annotated Anodyne O=C(O)[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@@H]1C(F)(F)F ZINC000145668014 KK Annotated Anodyne O=C(O)[C@@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(F)(F)F ZINC000145668230 KK Annotated Anodyne O=C(O)[C@H]1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C[C@H]1C(F)(F)F ZINC000145668419 KK Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145673132 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145673351 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H](C)[C@H](OC(=O)CCCCCCCCC)[C@@H](OCC)[C@]23C(=C[C@H](O)C[C@H]12)[C@@H](O)O[C@@H]3OC(C)=O ZINC000145703577 KK Annotated Mild COc1cc(O)c([C@@H]2COc3cc(O)ccc3C2)cc1[C@@H]1c2ccc(O)cc2OC[C@H]1c1ccc(OC)c(O)c1O ZINC000145710083 KK Annotated Clean COc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2cc([C@@H]3COc4cc(O)ccc4C3)c(O)cc2OC)c(O)c1 ZINC000145710281 KK Annotated Anodyne COc1cc(O)c([C@@H]2COc3cc(O)ccc3[C@H]2c2cc([C@@H]3COc4cc(O)ccc4C3)c(O)cc2OC)cc1OC ZINC000145710463 KK Annotated Anodyne COc1cc(O)c([C@@H]2COc3cc(O)ccc3C2)cc1[C@@H]1c2ccc(O)cc2OC[C@H]1c1ccc(OC)c(O)c1OC ZINC000145710646 KK 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000145719882 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000145736337 KK Annotated Mild Cc1cc(Nc2nccc(C(F)(F)C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)OC(C)(C)C)CC3)s2)c1 ZINC000145760609 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)CC(=O)C1=O ZINC000145762326 KK Annotated Mild COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000145845798 KK Annotated Bother COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000145868509 KK Annotated Bother C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145869226 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000145869418 KK 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(\CO)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000145891119 KK Annotated Mild COC(C)(C)CCC(=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(\C)CCCC(C)(C)O ZINC000145895541 KK Annotated Mild CC1(C)[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000145989653 KK Annotated Anodyne CN1Cc2cccc(Oc3nc(Nc4ccc(OC5CCOCC5)cc4)ncc3C(F)(F)F)c2C1=O ZINC000146002829 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4cc(F)c(F)cc4F)CC3)OC2=O)cc1 ZINC000146006828 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(=O)(=O)c3ccc(Oc5ccccc5)nc3)C4)n[nH]c2c1 ZINC000146028631 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3ccc(Oc5ccccc5)nc3)C4)n[nH]c2c1 ZINC000146029868 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(F)cc3)CC4)n[nH]c2c1 ZINC000146038421 KK Annotated Anodyne CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@H]3c3ccccc3)[nH]2)c1 ZINC000146039937 KK Annotated Anodyne CCN1CC[C@H](NC(=O)c2cc(OC)c(Nc3ncc(Cl)c(Oc4cccc5c4C(=O)N(C)[C@H]5C)n3)cc2F)[C@H](F)C1 ZINC000146057868 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(Cl)cn3)C4)n[nH]c2c1 ZINC000146058460 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cnc5ccccc5c3)C4)n[nH]c2c1 ZINC000146068395 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@](C)(OC(C)=O)[C@H]2CC[C@H]2[C@]3(C)CCC(=O)C(C)(C)O[C@H]3CC[C@@]2(C)OC(C)=O)OC1(C)C ZINC000146073736 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3ccc5ncccc5c3)C4)n[nH]c2c1 ZINC000146089409 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(Cl)cn3)CC4)n[nH]c2c1 ZINC000146169131 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccc(C(=O)N(C)C)nc2)cc1)N1CCC2(CCC3(CC2)OCC(C)(C)CO3)OC1=O ZINC000146187980 KK Annotated Anodyne O=C(c1ccc(F)cc1)N1CCc2[nH]c(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC(F)(F)F)ccc34)nc2C1 ZINC000146195524 KK Annotated Anodyne O=C(O)C1(CN[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)CCCCC1 ZINC000146198911 KK Annotated Anodyne COC(C)(C)CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(C)O ZINC000146207270 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(=O)C2(C)C)C(C)(C)C=C(O)C1=O ZINC000146208863 KK Annotated Mild C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146243678 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146243890 KK Annotated Anodyne Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCN(Cc4ccccc4)C5)n[nH]c3c2)cc1F ZINC000146250056 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000146284345 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000146284549 KK Annotated Anodyne CS(=O)(=O)c1cc(Cl)ccc1/C(=C(\c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]nc(F)c2c1)C1CCC1 ZINC000146305642 KK Annotated Anodyne O=C(O)/C=C/c1ccc(/C(=C(\c2ccc(C(F)(F)F)cc2Cl)C2CCC2)c2ccc3[nH]nc(F)c3c2)cc1 ZINC000146331215 KK Annotated Anodyne CS(=O)(=O)c1ccc(/C(=C(\c2ccc(/C=C/C(=O)O)cc2)c2ccc3[nH]nc(F)c3c2)C2CCC2)c(Cl)c1 ZINC000146338633 KK Annotated Anodyne COc1ccc(/C(=C(\c2ccc(/C=C/C(=O)O)cc2)c2ccc3[nH]nc(F)c3c2)C2CCC2)c(Cl)c1 ZINC000146351602 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(Cl)ccc2C)CC3)CC1(C)C ZINC000146370843 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=C[C@H](O)CC1(C)C ZINC000146371077 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3ccccc3C(F)(F)F)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)CC1(C)C ZINC000146372194 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000146387756 KK Annotated Anodyne O=C(Oc1c(OC(=O)c2ccc(O)cc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1)c1ccc(O)cc1 ZINC000146392334 KK Annotated Clean CO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146394237 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)[C@H](C)C1 ZINC000146394473 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000146397566 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cc(C)cc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000146399489 KK Annotated Anodyne CC(=O)N1CCN(c2nc(-c3ccccc3C(F)(F)F)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146415554 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(F)c(C(F)F)nn2C)CC3)CC1(C)C ZINC000146430657 KK Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146432734 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCC(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146432826 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cncc3C)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000146433115 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)CC1(C)C ZINC000146450307 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)CC1(C)C ZINC000146450520 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@@H]1C ZINC000146452792 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146484092 KK Annotated Anodyne CC(C)Nc1cc(-c2cc(C(F)(F)F)nc3c(-n4cnc(-c5cnn(C)c5)c4)cccc23)ccc1C(N)=O ZINC000146489746 KK Annotated Anodyne CCCCCCCCCCCCCCCC[N+](C)(CCCN1[C@@H](C)CC[C@@H]1C)CCCN1[C@@H](C)CC[C@@H]1C ZINC000146583441 KK Annotated Mild in-man CCCCCCCCCCCCCCCC[N+](C)(CCCN1[C@@H](C)CC[C@@H]1C)CCCN1[C@H](C)CC[C@H]1C ZINC000146583659 KK Annotated Mild in-man C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146607032 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000146607212 KK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(F)c(OC(=O)CCC)c3)o2)[C@@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146634530 KK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)c(Cl)c3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146635944 KK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)CCC)cc3)o2)[C@H](C)OC(=O)CCC)c(C)c1Cl ZINC000146640554 KK Annotated Anodyne [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(OC(=O)c4ccccc4)cc3)o2)[C@H](C)OC(=O)c2ccccc2)c(C)c1Cl ZINC000146642412 KK Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4ccccc4N(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146657529 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4ccccc4N(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000146657718 KK Annotated Anodyne Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C ZINC000146677665 KK Annotated Mild COc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 ZINC000146703241 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000146809944 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000146810317 KK Annotated Anodyne CC1=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)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000146810716 KK 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=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000146810915 KK Annotated Mild CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccsc5)C5CCCC5)cc34)cc2)CC1 ZINC000146815706 KK Annotated Anodyne CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccsc5)C5CCCC5)cc34)cc2)CC1 ZINC000146815906 KK Annotated Anodyne CCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)nc3)ccc21 ZINC000146818719 KK Annotated Anodyne CC1=C[C@H](c2c(O)c3c(c([C@H]4C=C(C)CC[C@@H]4C(C)C)c2O)O[C@H](c2ccccc2)CC3=O)[C@@H](C(C)C)CC1 ZINC000146824134 KK Annotated Anodyne CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@H](c5ccccn5)C5CCCC5)cc34)cc2)CC1 ZINC000146833862 KK Annotated Anodyne CN1CCC(Oc2ccc(-c3n[nH]c4ccc(C(=O)N[C@@H](c5ccccn5)C5CCCC5)cc34)cc2)CC1 ZINC000146834064 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC(N(C)C)C3)c2C1 ZINC000146940848 KK Annotated Anodyne Cc1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cnc1N(C)C(=O)OC(C)(C)C ZINC000146941768 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(OCCN3CCOCC3)c2C1 ZINC000146943220 KK Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2CCNCC2)C1 ZINC000146943487 KK Annotated Anodyne N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O ZINC000146946649 KK Annotated Reactive CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CCOC[C@H]3C)c2C1 ZINC000146949096 KK Annotated Anodyne CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC12CC2 ZINC000146961363 KK Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2cccnc2)C1 ZINC000146965687 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(F)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000146974342 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CC[C@@H](O)C(C)(C)C3)c2C1 ZINC000146975245 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)CC1(C)C ZINC000146975481 KK Annotated Anodyne CCn1nc(C2CC2)c(F)c1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC[C@@H](OC)C(C)(C)C3)c2C1 ZINC000146981242 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CC[C@@H](N(C)C)C3)c2C1 ZINC000146981480 KK Annotated Anodyne CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)[C@H](C)C1 ZINC000146981806 KK Annotated Anodyne CCCC(=O)O[C@H]1CC[C@]2(C)C=CC([C@@H](C)C(=O)OC)=C(O2)[C@H]2[C@H](C)[C@H](OC(=O)CCC)C[C@H](OC(C)=O)[C@]12C ZINC000146982541 KK Annotated Anodyne CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(-c2c(C)ccc3[nH]nc(C)c23)nc2c1CN(c1c(F)c(C3CC3)nn1C)CC2 ZINC000146983152 KK Annotated Anodyne CN1CCc2c([nH]c3c(O)cccc23)[C@H]1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000146985485 KK Annotated Anodyne CN1CC=C(c2cc(Cl)cc(F)c2-c2cccc3c2CCN(S(=O)(=O)Nc2ncc(F)s2)C3)CC1 ZINC000146987195 KK Annotated Anodyne CO[C@H]1CN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@@H]1N(C)C ZINC000146989388 KK Annotated Anodyne CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)[C@H](C)C1 ZINC000146990467 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000146993750 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3cccc4cnn(C)c34)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)CC1(C)C ZINC000147003794 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(Cl)ccc2C)CC3)[C@H](C)C1 ZINC000147011519 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(Cl)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000147013345 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CCOC[C@H]3C)c2C1 ZINC000147016161 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C4CC4)cnc4[nH]ccc34)nc(N3CCCC(C)(C)C3)c2C1 ZINC000147018333 KK Annotated Anodyne C=C(C)[C@@H](C)CC[C@]1(C)O[C@](C)([C@H]2CC[C@@H]([C@]3(C)CC[C@H](C)[C@@](C)(CC[C@@H](C)C(=C)C)O3)O2)CC[C@H]1C ZINC000147037720 KK Annotated Mild C=C(C)[C@@H](C)CC[C@]1(C)O[C@@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@@H](C)[C@](C)(CC[C@@H](C)C(=C)C)O3)O2)CC[C@H]1C ZINC000147038488 KK 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=C/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000147143510 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]23C[C@@H](C(C)(C)O)OC2=C(C(=O)c2ccccc2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000147203804 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000147224076 KK Annotated Anodyne Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5N(CC(F)(F)F)C4=O)nn3)cc2OCC(F)(F)F)cn1 ZINC000147240170 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)CC1 ZINC000147240769 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H](n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)C1 ZINC000147301866 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)C1 ZINC000147302064 KK Annotated Anodyne COC(=O)CCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000147355817 KK Annotated Mild CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](NC(=O)c1csc(-c2cscn2)n1)C(C)C ZINC000147360675 KK Annotated Mild CC(C)(C)OC(=O)N1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ccncn2)C3)CC1 ZINC000147361344 KK Annotated Anodyne CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000147372271 KK Annotated Anodyne Cc1cn(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncc(F)s2)C3)cn1 ZINC000147390602 KK Annotated Anodyne COc1cncc(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)c1 ZINC000147407265 KK Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2C2=CCNCC2)C1 ZINC000147418838 KK Annotated Anodyne CN1CC=C(c2ccc(C(F)(F)F)cc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncc(F)s2)C3)CC1 ZINC000147420997 KK Annotated Anodyne CCN(CC)C(=O)/C=C(\C)c1ccc2oc(C(=O)c3ccc(C#N)cc3)c(NC(=O)/C(C#N)=C(/C)O)c2c1 ZINC000147432245 KK Annotated Reactive O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc(CCN5CCCCC5)s4)ccn23)c1 ZINC000147434074 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)CC1 ZINC000147445924 KK Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@H](C)c4ccccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000147450359 KK Annotated Anodyne O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2ccncc2)C1 ZINC000147461610 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CC[C@H](c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1 ZINC000147465060 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CC[C@@H](c3cccc(Cl)c3)OC1=O)c1nc-2c[nH]1 ZINC000147465329 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CC[C@H](c3cccc(Cl)c3)OC1=O)c1nc-2c(C#N)[nH]1 ZINC000147469237 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CC[C@@H](c3cccc(Cl)c3)OC1=O)c1nc-2c(C#N)[nH]1 ZINC000147469442 KK Annotated Anodyne Cc1cncn1-c1cc(C(F)(F)F)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncc(F)s1)C2 ZINC000147494469 KK Annotated Anodyne CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncc(F)s2)C3)CC1 ZINC000147506726 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C(F)(F)F)c1 ZINC000147510011 KK Annotated Anodyne Cc1cncc(-c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)Nc2ncns2)C3)c1 ZINC000147520399 KK Annotated Anodyne CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@@H](O)CCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1 ZINC000147569891 KK Annotated Mild in-man CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147662492 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000147662933 KK Annotated Anodyne COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc([N+](=O)[O-])o5)nc5ccccc5c4=O)c(C)c3)ccc2c1 ZINC000147681875 KK Annotated Mild CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2cc(-c3ccc(F)c(F)c3F)ccc21 ZINC000147730305 KK Annotated Anodyne Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccc3ccccc3c2)nc2ccccc2c1=O ZINC000147732298 KK Annotated Mild Nc1nnc(-c2nc(C3CCCCC3)n(-c3c(CC(=O)Nc4ccccc4)ccc(Cl)c3F)c2-c2ccc(F)c(Cl)c2)o1 ZINC000147770927 KK Annotated Anodyne CCCCCCCCCCCC[N+](C)(C)CCN(C)CC[N+](C)(C)CCCCCCCCCCCC ZINC000147916387 KK Annotated Mild CCOc1ncccc1-c1cc(C(=O)NS(C)(=O)=O)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000147950862 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)cc2)cn1 ZINC000147993142 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C3CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148018758 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)cn1 ZINC000148019409 KK Annotated Anodyne C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5cc([N+](=O)[O-])ccc45)cc3)cc2)cc1 ZINC000148065757 KK Annotated Bother COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N(C)CCN(C)C)nc34)c2)cc1C(F)(F)F ZINC000148076046 KK Annotated Anodyne COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCCCCC5)nc34)c2)cc1C(F)(F)F ZINC000148076736 KK Annotated Anodyne COc1ccc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCCCC5)nc34)c2)cc1C(F)(F)F ZINC000148077452 KK Annotated Anodyne CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCCCCC5)nc34)c2)no1 ZINC000148080748 KK Annotated Anodyne CN(CCN1CCCC1)c1ncc2ncnc(Nc3cc(C(=O)Nc4cc(C(C)(C)C)on4)ccc3C(F)(F)F)c2n1 ZINC000148081410 KK Annotated Anodyne N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000148081876 KK Annotated Mild CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)c(Nc3ncnc4cnc(N5CCCCC5)nc34)c2)no1 ZINC000148082118 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)cc2)cn1 ZINC000148090755 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3F)cc2)cn1 ZINC000148091181 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3Cl)cc2)cn1 ZINC000148102683 KK Annotated Anodyne N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1cc(F)cc(C(F)(F)F)c1 ZINC000148106720 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148116398 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 ZINC000148119200 KK Annotated Anodyne Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl ZINC000148122004 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)cc2)cn1 ZINC000148122581 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000148172865 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000148177432 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)c(Cl)c2)cn1 ZINC000148189788 KK Annotated Anodyne Cc1cc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)ccc1F ZINC000148190500 KK Annotated Anodyne CC(C)c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 ZINC000148196077 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 ZINC000148203802 KK Annotated Anodyne Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CC[C@@H](F)C3)nc12 ZINC000148213061 KK Annotated Anodyne Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 ZINC000148214740 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)cn1 ZINC000148215239 KK Annotated Anodyne CC(C)(C)c1ccc(-c2ccc(NCc3ccccc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)cc1 ZINC000148215489 KK Annotated Anodyne C=C(C)[C@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000148227912 KK Annotated Mild Cc1ccc(C(=O)NCc2cccc(C(C)(C)C)c2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 ZINC000148239514 KK Annotated Anodyne N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000148242774 KK Annotated Mild Cn1nc(C(C)(C)C)cc1NC(=O)c1cc(Cl)cc(Nc2ncnc3cnc(N4CCCC4)nc23)c1Cl ZINC000148267096 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2F)cn1 ZINC000148275865 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cc1F ZINC000148289712 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cc1F ZINC000148305256 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3F)c(Cl)c2)cn1 ZINC000148312414 KK Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)cc1Nc1ncnc2cnc(N3CCC(N4C[C@H](C)O[C@H](C)C4)CC3)nc12 ZINC000148317990 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(F)c3)c(F)c2)cn1 ZINC000148327223 KK Annotated Anodyne Cc1cc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 ZINC000148328070 KK Annotated Anodyne CS(=O)(=O)c1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 ZINC000148330949 KK Annotated Anodyne COc1c(CN2CCCC2)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[C@H](F)C4)nc23)c1 ZINC000148346357 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cc(F)cc(F)c3)cc2)cn1 ZINC000148347096 KK Annotated Anodyne N#Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1-c1ccc(C(=O)NCCC(=O)O)nc1 ZINC000148349997 KK Annotated Mild COc1ccc(NC(=O)c2ccc(C)c(N(C)c3ncnc4cnc(N5CC[C@H](F)C5)nc34)c2)cc1C(F)(F)F ZINC000148371017 KK Annotated Anodyne Cc1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1Nc1ncnc2cnc(N3CCC(CN4CCCC4)CC3)nc12 ZINC000148374113 KK Annotated Anodyne CC1=Nc2ccc(NC(=O)c3ccc(C)c(Nc4ncnc5cnc(N6CCC(CN7CCCC7)CC6)nc45)c3)cc2C1(C)C ZINC000148374343 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3C(F)(F)F)cc2)cn1 ZINC000148378228 KK Annotated Anodyne Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 ZINC000148421121 KK Annotated Anodyne C=C(C)c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 ZINC000148425950 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 ZINC000148438796 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(F)c3)cc2F)cn1 ZINC000148458589 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 ZINC000148476402 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(F)c3)cc2)cn1 ZINC000148481887 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc(N(C)C)c2)C1 ZINC000148604760 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2ccn3C)C1 ZINC000148606528 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@@H]1CCN(Cc2cccc3c2CCN3C)C1 ZINC000148607062 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2CCN3C)C1 ZINC000148607289 KK Annotated Anodyne Cc1cc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2C#N)ccc1F ZINC000148608158 KK Annotated Mild CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2N(C)CC3)C1 ZINC000148608461 KK Annotated Anodyne COc1cccc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1OC ZINC000148612700 KK Annotated Anodyne Cc1cc(F)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 ZINC000148613097 KK Annotated Anodyne COc1ccc(OC)c(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148614469 KK Annotated Anodyne CCOc1ccccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148619256 KK Annotated Anodyne Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 ZINC000148630331 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000148642532 KK Annotated Bother Cc1ccc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2C#N)c(F)c1 ZINC000148655973 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3c(F)cccc3Cl)cc2)cn1 ZINC000148743903 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3C(F)(F)F)cc2)cn1 ZINC000148771007 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(Cl)c3)cc2)cn1 ZINC000148771211 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@@H](O)CCC2(C)C)C(C)(C)C=C(O)C1=O ZINC000148786326 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 ZINC000148797275 KK Annotated Anodyne COc1c(C)cccc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148817661 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(F)c3)cc2)cn1 ZINC000148819429 KK Annotated Anodyne COc1ccc(C)cc1CN1CC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148821432 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3ccn(C)c23)C1 ZINC000148829490 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2N(C)CC3)C1 ZINC000148830465 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3cc[nH]c23)C1 ZINC000148832436 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000148834440 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3[nH]ccc23)C1 ZINC000148835135 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2ccn3C)C1 ZINC000148835655 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2CCN3)C1 ZINC000148838238 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2CCN3C)C1 ZINC000148839348 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2OCC3)C1 ZINC000148843595 KK Annotated Anodyne COc1cccc(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000148846435 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2OCCO3)C1 ZINC000148849202 KK Annotated Anodyne COc1ccc(C)cc1CN1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148850578 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3ccn(C)c23)C1 ZINC000148866934 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2ccn3C)C1 ZINC000148868782 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CN(Cc2cccc3cc[nH]c23)CCO1 ZINC000148872748 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CN(Cc2cccc3cc[nH]c23)CCO1 ZINC000148872894 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3cc[nH]c23)C1 ZINC000148878762 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3[nH]ccc23)C1 ZINC000148886847 KK Annotated Anodyne CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCC4(CC3)CN(C(=O)OC(C)(C)C)C4)c(F)c2)cn1 ZINC000148891225 KK Annotated Mild CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2ccn3C)C1 ZINC000148891273 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3ccn(C)c23)C1 ZINC000148895297 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCN(Cc2cccc3c2N(C)CC3)C1 ZINC000148903944 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2CCN3)C1 ZINC000148906556 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2NCC3)C1 ZINC000148907227 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2CCN3C)C1 ZINC000148916258 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@@H]1CCCN(Cc2cccc3c2N(C)CC3)C1 ZINC000148918111 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)CCCCO2)C(=O)[C@H]1CCCN(Cc2cccc3c2N(C)CC3)C1 ZINC000148918327 KK Annotated Anodyne CC(C)CN(Cc1cc(Cl)c2c(c1)OCC(F)(F)CO2)C(=O)[C@H]1CCN(Cc2cccc3cc[nH]c23)C1 ZINC000148921886 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@@]3(C[C@H]6C=CCCCCN6[C@@H]34)C5)nccc12 ZINC000148925978 KK Annotated Anodyne COc1cc(CN2CC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)ccc1F ZINC000148939134 KK Annotated Anodyne COc1cc(F)ccc1CN1CCC[C@H](C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)C1 ZINC000148942547 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3C(F)(F)F)c(Cl)c2)cn1 ZINC000149039119 KK Annotated Anodyne Cc1ccc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)c(F)c1 ZINC000149066300 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)COC4)cc(F)c3C)c(F)c12 ZINC000149076802 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C ZINC000149120927 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CC[C@H](O)[C@H](C)C3)c2C1 ZINC000149126341 KK Annotated Anodyne CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(-c2cccc3[nH]cc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000149128463 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cc(Cl)ccc3CO)nc(N3CCCC(C)(C)C3)c2C1 ZINC000149128935 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000149129663 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(Cl)cnc4[nH]ccc34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)CC1(C)C ZINC000149129886 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C ZINC000149130854 KK Annotated Anodyne CCO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000149132384 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C(F)F)nn2C)CC3)CC1(C)C ZINC000149132625 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)[C@H](C)C1 ZINC000149133611 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C(F)(F)F)cnc4[nH]ccc34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000149135025 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)CC1(C)C ZINC000149136001 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3CC[C@H](O)C(C)(C)C3)c2C1 ZINC000149136234 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C(C)C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)nn2C)CC3)CC1(C)C ZINC000149138411 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3ccc(F)c4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000149139301 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C(C)C)ccc4[nH]ncc34)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)CC1(C)C ZINC000149139786 KK Annotated Anodyne Cc1ccc2[nH]nc(C)c2c1-c1nc2c(c(N3CC[C@@H]4OC[C@]4(C)C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2 ZINC000149140059 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3Cl)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C ZINC000149140337 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)cccc3C)nc(N3C[C@H](C)N(CC(N)=O)C[C@H]3C)c2C1 ZINC000149140606 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)[C@H](C)C1 ZINC000149140868 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000149144148 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H](C)C1 ZINC000149144379 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C(F)(F)F)nn2C)CC3)CC1(C)C ZINC000149145777 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C4(C)COC4)ccc2C)CC3)[C@H](C)C1 ZINC000149146068 KK Annotated Anodyne COc1ccc(C)c(N2CCc3nc(-c4c(C(C)C)ccc5[nH]ncc45)nc(N4CC[C@H](OC)C(C)(C)C4)c3C2)c1 ZINC000149147778 KK Annotated Anodyne CCO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H](C)C1 ZINC000149150833 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C ZINC000149152343 KK Annotated Anodyne CCO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)[C@H](C)C1 ZINC000149152807 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4[nH]nc(C)c34)nc(N3CCCC[C@H]3C)c2C1 ZINC000149153051 KK Annotated Anodyne Cc1ccc(C(C)C)cc1N1CCc2nc(-c3cccc4[nH]cc(C)c34)nc(N3C[C@H](C)N(CC(N)=O)C[C@H]3C)c2C1 ZINC000149159143 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2cc(C(F)(F)F)nn2C)CC3)CC1(C)C ZINC000149159431 KK Annotated Anodyne CO[C@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000149163683 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4[nH]nc(C)c34)nc3c2CN(c2c(Cl)c(C(C)C)nn2C)CC3)[C@H](C)C1 ZINC000149164643 KK Annotated Anodyne CC(C)OC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H]1N ZINC000149185460 KK Annotated Anodyne COC(=O)N(C)[C@H]1[C@@H](N)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1C ZINC000149191041 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)COC4)c(OC)cc3C)c(F)c12 ZINC000149196696 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1OP(C)(C)=O ZINC000149208367 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@@H]1OP(C)(C)=O ZINC000149208592 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1S(C)(=O)=O ZINC000149316103 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1OCCC#N ZINC000149317027 KK Annotated Anodyne Cc1cc(Cl)cnc1N[C@@H](c1ccc2cccnc2c1O)c1c(F)c(F)c(OCC(F)(F)F)c(F)c1F ZINC000149365069 KK Annotated Mild Cc1cc(Cl)cnc1N[C@H](c1ccc2cccnc2c1O)c1c(F)c(F)c(OCC(F)(F)F)c(F)c1F ZINC000149365276 KK Annotated Mild CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)COC4)cc(F)c3C)c(F)c12 ZINC000149386573 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)COC4)ccc3C)c(F)c12 ZINC000149442482 KK Annotated Anodyne COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc(F)cc5)nc5ccccc5c4=O)c(C)c3)ccc2c1 ZINC000149519579 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccccc2c1=O ZINC000149547791 KK Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1[C@@H]1CC[C@H](N(C)C)CC1 ZINC000149584300 KK Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000149586347 KK Annotated Mild CC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 ZINC000149640119 KK Annotated Clean CC(=O)Nc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 ZINC000149640325 KK Annotated Clean NC(=O)CN[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 ZINC000001535166 KK Annotated Anodyne O=C(O)C[C@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000001536326 KK Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)c(Br)s2)c1C(F)(F)F ZINC000001540229 KK Annotated Anodyne CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)nc1 ZINC000001542083 KK Annotated Anodyne Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(Br)cn2)cc1 ZINC000001542085 KK Annotated Anodyne C[C@H](NC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000001542676 KK Annotated Anodyne in-vitro Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccco4)c3Cl)cccc2s1 ZINC000001546048 KK Annotated Anodyne CC(C)(C)NC(=O)c1cc(C(C)(C)C)ccc1CC[C@@H](O)Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000001546113 KK Annotated Anodyne CC(C)(C)NC(=O)c1c(CC[C@@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12 ZINC000001546114 KK Annotated Anodyne CC(C)(C)NC(=O)c1c(CC[C@H](O)Cc2ccc3ccccc3c2C(=O)NC(C)(C)C)ccc2ccccc12 ZINC000001546115 KK Annotated Anodyne COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000001546522 KK Annotated Anodyne COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3Cl)=CN21 ZINC000001546523 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2Cl)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546524 KK Annotated Anodyne CCC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546525 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2OC(C)C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000001546526 KK Annotated Anodyne CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1Cl ZINC000001547541 KK Annotated Mild investigational O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000001549152 KK Annotated Mild in-vivo O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000001549154 KK Annotated Mild CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H](c4nn[nH]n4)C3)ncn2)cc1C(F)(F)F ZINC000001551496 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(CCO)CC3)ncn2)cc1C(F)(F)F ZINC000001551499 KK Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O ZINC000001551806 KK Annotated Reactive in-vitro O=C(Nc1ccc(C(=O)N2C[C@H]3[C@H]4CC[C@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000001551945 KK Annotated Anodyne C[C@@H](C(=O)NC1(c2ccccc2)CCC(N2CCC3(CCCO3)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000001553093 KK Annotated Anodyne [O-][n+]1cccc(C[C@@H](c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)c1 ZINC000001553121 KK Annotated Mild in-vivo CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000001553969 KK Annotated Anodyne CCCCCc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1C3(C)C ZINC000001554628 KK Annotated Anodyne in-vitro C[N+](C)(CCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000001566123 KK Annotated Bother COc1c(OC)c2c3c(c(-c4c(C)cc5c(C(C)C)c(OC)c(OC)c6c5c4OC6=O)c(C)cc3c1C(C)C)OC2=O ZINC000001610585 KK Annotated Anodyne O=S(=O)(C1=C[C@@H](S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000001617496 KK Annotated Anodyne COc1cc(Br)c(C[C@]2(C#N)c3ccccc3[C@@H]3[C@H](N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC ZINC000001619616 KK Annotated Mild C1CCCCc2nc3c(nc2CCC1)c1nc2c(nc1c1nc4c(nc31)CCCCCCCC4)CCCCCCCC2 ZINC000001620396 KK Annotated Bother COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@@H](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000001622691 KK Annotated Bother CCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000001626186 KK Annotated Anodyne CCCCCC=C(c1cc(Cl)c(OC)c(C(=O)N(C)C)c1)c1cc(Cl)c(OC)c(C(=O)N(C)C)c1 ZINC000001626187 KK Annotated Anodyne COc1ccccc1N1C(=O)/C(=C/c2ccc(N(CCC#N)CCC#N)cc2C)N=C1c1cc([N+](=O)[O-])ccc1Cl ZINC000001626196 KK Annotated Mild Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2cccc(Cl)c2)C1=O ZINC000001626200 KK Annotated Mild COC(=O)c1cc(C(=CCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001627633 KK Annotated Reactive COc1c(Br)cc(Br)c(OC)c1-c1[nH]c(Br)c(Br)c1Br ZINC000001627674 KK Annotated Anodyne COc1cc(CNc2nc3c(NC(C)=O)cc(C(F)(F)F)cc3nc2-c2ccccc2)cc(OC)c1OC ZINC000001627932 KK Annotated Anodyne CS[C@@H]([C@H]1c2ccccc2N(c2ccc(C)cc2)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000001628613 KK Annotated Anodyne CC(=O)Oc1c(Br)ccc2cc(C(Br)Br)c(C(=O)c3ccccc3)nc12 ZINC000001628652 KK Annotated Reactive Cc1ccc(C2=C(c3ccccc3)C(O)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 ZINC000001628718 KK Annotated Anodyne Cc1ccc(C2=C(c3ccccc3)C(Br)(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccc(C)cc2)cc1 ZINC000001628719 KK Annotated Anodyne C/C(=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1cc2ccccc2oc1=O ZINC000001628938 KK Annotated Bother C/C(=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)N(C2=CC=C(Cl)CC2)C1=O)c1cc2ccccc2oc1=O ZINC000001628940 KK Annotated Bother COc1ccc(N2C(=O)/C(=C(\C)c3cc4ccccc4oc3=O)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001628942 KK Annotated Bother Cc1cc(N(CCC#N)S(=O)(=O)c2ccccc2)ccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000001629712 KK Annotated Mild CC(=O)CN(Cc1cc(C)c2c(c1)c1ccccc1n2Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000001630753 KK Annotated Anodyne O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@H]2Cc3cc(Cl)ccc3[S@@](=O)c3ccccc32)c2ccccc21 ZINC000001630928 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000001630941 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000001630942 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000001630943 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000001630944 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000001630945 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C2=C(C(=O)N(c3ccccc3)[C@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000001630946 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)[C@H]1c1ccccc1 ZINC000001630947 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 ZINC000001630948 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 ZINC000001631758 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)c1[nH]c3ccccc3c1C1(CCC(C(C)(C)C)CC1)c1[nH]c3ccccc3c12 ZINC000001632167 KK Annotated Anodyne C=CCc1ccc(O)c(-c2cc([C@@H]3Oc4c(-c5cc(CC=C)ccc5O)cc(O)cc4[C@H]3CO)ccc2O)c1 ZINC000001632270 KK Annotated Mild COC(=O)/C(=C/C[C@@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC)N=C(c1ccccc1)c1ccccc1 ZINC000001632410 KK Annotated Mild COC(=O)/C(=C/C[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC)N=C(c1ccccc1)c1ccccc1 ZINC000001632412 KK Annotated Mild COc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=C[C@@](C)(CCC=C(C)C)O4)cc2c1[nH]c1ccccc12 ZINC000001634355 KK Annotated Anodyne COc1c(O)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(OC)c(O)c(C=O)c4c3O)c(C)cc2c1C(C)C ZINC000001634910 KK Annotated Anodyne CC1=N/C(=C/c2cc(Br)cc(Br)c2)C(=O)N1n1c(-c2ccccc2)nc2ccccc2c1=O ZINC000001635970 KK Annotated Anodyne Brc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(-c3cccs3)n2Cc2ccccc2)cc1 ZINC000001636186 KK Annotated Anodyne Cn1c(-c2ccc(-c3cc(-c4cccs4)c(-c4cccs4)n3C)cc2)cc(-c2cccs2)c1-c1cccs1 ZINC000001636201 KK Annotated Anodyne O=C(C/N=C(\CN(c1ccccc1)c1ccccc1)Oc1c(Cl)cc(Cl)cc1Cl)n1cnc2ccccc21 ZINC000001636547 KK Annotated Mild O=C(CP(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(c2ccccc2)c2ccccc2)c1 ZINC000001637765 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C[C@H](c1ccccc1)c1ccc(O)c(O)c1O ZINC000001638829 KK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000001638878 KK Annotated Anodyne COc1cc(-c2cc(OC)c(OC)c3ccc(Br)cc23)c2cc(Br)ccc2c1OC ZINC000001642268 KK Annotated Anodyne CSc1cc(Br)ccc1-n1c(C(=O)c2ccccc2)c(SC)n(-c2ccccc2)c1=O ZINC000001643584 KK Annotated Anodyne CCCCNC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21 ZINC000001643737 KK Annotated Reactive CCCCNC(=O)OCCN=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21 ZINC000001643738 KK Annotated Reactive CCCCNC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21 ZINC000001643739 KK Annotated Reactive O=C(Nc1ccccc1)OCCN=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21 ZINC000001643745 KK Annotated Reactive O=C(Nc1ccccc1)OCCN=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21 ZINC000001643746 KK Annotated Reactive O=C(Nc1ccccc1)OCCN=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21 ZINC000001643747 KK Annotated Reactive CCOC(=O)c1c(SC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001644232 KK Annotated Anodyne CCOC(=O)c1c(SC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O ZINC000001644234 KK Annotated Anodyne CC(=O)c1sc2c(c1OC(=O)c1cccs1)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000001644257 KK Annotated Anodyne S=C1N(/N=C/c2c3ccccc3cc3ccccc23)C(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000001644370 KK Annotated Mild O=c1oc2ccccc2cc1/C=N/N1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 ZINC000001644372 KK Annotated Mild Brc1ccc([C@H]2C[C@]3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 ZINC000001645107 KK Annotated Anodyne Brc1ccc([C@H]2C[C@@]3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 ZINC000001645108 KK Annotated Anodyne Brc1ccc([C@@H]2C[C@]3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 ZINC000001645109 KK Annotated Anodyne Brc1ccc([C@@H]2C[C@@]3(c4ccccc4)ON=C(c4ccccc4)N3c3ccccc3S2)cc1 ZINC000001645110 KK Annotated Anodyne O=S1(=O)c2ccccc2N2C(c3ccccc3)=NO[C@@]2(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000001645127 KK Annotated Anodyne O=S1(=O)c2ccccc2N2C(c3ccccc3)=NO[C@]2(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000001645128 KK Annotated Anodyne O=S1(=O)c2ccccc2N2C(c3ccccc3)=NO[C@@]2(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000001645129 KK Annotated Anodyne O=S1(=O)c2ccccc2N2C(c3ccccc3)=NO[C@]2(c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000001645130 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000001645215 KK Annotated Clean O=C1CS[C@H](c2ccccc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000001645216 KK Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1 ZINC000001645217 KK Annotated Anodyne O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000001645218 KK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000001645227 KK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1OC ZINC000001645228 KK Annotated Anodyne O=C1CS[C@H](c2cccc(Cl)c2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001645229 KK Annotated Anodyne COc1ccccc1[C@H]1SCC(=O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001645233 KK Annotated Anodyne COc1cccc([C@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)c1OC ZINC000001645234 KK Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000001645235 KK Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)ccc1O ZINC000001645236 KK Annotated Anodyne O=C(c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2)C(Br)Br ZINC000001645336 KK Annotated Reactive C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3c(CC=C(C)C)[nH]c4ccccc34)=C(O)C2=O)c2ccccc21 ZINC000001645960 KK Annotated Mild CCOP(=O)(OCC)[C@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000001646014 KK Annotated Mild CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)[C@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000001646021 KK Annotated Anodyne Cc1cc(C2(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)cc1C1(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1 ZINC000001647604 KK Annotated Mild C[C@@H](C#N)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N[C@@H](C)C#N)cc4)cc3)cc2)cc1 ZINC000001647905 KK Annotated Mild C[C@@H](C#N)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N[C@H](C)C#N)cc4)cc3)cc2)cc1 ZINC000001647906 KK Annotated Mild C[C@H](C#N)Nc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(N[C@H](C)C#N)cc4)cc3)cc2)cc1 ZINC000001647908 KK Annotated Mild O=C1C[C@]2(CC[C@@](O)(c3ccc(Cl)cc3)[C@H](C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 ZINC000001648840 KK Annotated Anodyne O=C1C[C@@]2(CC[C@@](O)(c3ccc4ccccc4c3)[C@@H](C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 ZINC000001648845 KK Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3cccc4ccccc34)[C@H](C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 ZINC000001648846 KK Annotated Anodyne Cn1c(COC(=O)Nc2ccccc2)c(COC(=O)Nc2ccccc2)c2ccc3cc(Cl)c(Cl)cc3c21 ZINC000001649424 KK Annotated Anodyne Cc1ccc(C(=C2Sc3ccccc3S2)C(=C2Sc3ccccc3S2)c2ccc(C)s2)s1 ZINC000001649686 KK Annotated Anodyne Cc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001650973 KK Annotated Mild O=C(CCCCCC(=O)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21 ZINC000001651276 KK Annotated Reactive O=C(CCCCCC(=O)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21 ZINC000001651277 KK Annotated Reactive O=C(CCCCCC(=O)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21 ZINC000001651279 KK Annotated Reactive CCCc1c(OC)c(=O)c2c(OC)cc(OC)c3c4c(OC)cc(OC)c5c(=O)c(OC)c(CCC)c(c1c23)c54 ZINC000001651431 KK Annotated Bother O=C1CSC2=NC3=C(COC/C3=C\c3ccc(Br)cc3)[C@H](c3ccc(Br)cc3)N12 ZINC000001651527 KK Annotated Anodyne O=C1CSC2=NC3=C(COC/C3=C\c3ccc(Br)cc3)[C@@H](c3ccc(Br)cc3)N12 ZINC000001651529 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC2=C(O)[C@](CC=C(C)C)(C(=O)C(C)C)C(O)=C(C)C2=O)c(O)c(C(=O)C(C)C)c1O ZINC000001651563 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC ZINC000001652330 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC ZINC000001652331 KK Annotated Reactive COc1cc(/C=C2\CC[C@H](C)C3=C2NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000001652437 KK Annotated Anodyne COc1cc(/C=C2\CC[C@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc(OC)c1OC ZINC000001652454 KK Annotated Reactive CC(C)(C)c1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C(C)(C)C)c4ccc(c1=O)c2c34 ZINC000001653395 KK Annotated Bother C/C=C/c1c(O)c(=O)c2c(OC)cc(OC)c3c4c(OC)cc(OC)c5c(=O)c(O)c(/C=C/C)c(c1c23)c54 ZINC000001653502 KK Annotated Bother CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(OCc2ccccc2)c2[nH]cc(C)c32)n(C)c1 ZINC000001653503 KK Annotated Reactive CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(OCc2ccccc2)c2[nH]cc(C)c32)n(C)c1 ZINC000001653505 KK Annotated Reactive COc1cc([C@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc(OC)c1OC ZINC000001653653 KK Annotated Anodyne BrCc1ccc(CBr)c2c1-c1c(CBr)ccc3ccc(CBr)c-2c13 ZINC000001654066 KK Annotated Reactive Clc1cc(Br)c2c3c(c(Br)cc(Cl)c13)C(Br)=C2Br ZINC000001654068 KK Annotated Anodyne OCCc1ccsc1-c1sc(-c2cc(CCO)c(-c3sccc3CCO)s2)cc1CCO ZINC000001655013 KK Annotated Anodyne CCCCn1c(CSc2ccc(Cl)cc2)c(C(=O)OCC)c2cc(OC)c(Br)cc21 ZINC000001655025 KK Annotated Anodyne C[C@@H](CSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1)CN(C)C ZINC000001655233 KK Annotated Anodyne O=c1c(-c2ccccc2)c(SCCN2CCCCCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001655235 KK Annotated Anodyne N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2cccc3ccccc23)n(-c2cccc3ccccc23)c1N ZINC000001655797 KK Annotated Reactive C=CCN(C(=O)OC(C)(C)C)C1=C[C@@H]2C(C)=CN(S(=O)(=O)c3ccccc3)[C@H]2C(OCc2ccccc2)=C1 ZINC000001655807 KK Annotated Mild Cc1cn(S(=O)(=O)c2ccccc2)c2c(OCc3ccccc3)cc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc12 ZINC000001655808 KK Annotated Bother COC1=C[C@H]2[C@@H](c3cc4ccccc4n3S(=O)(=O)c3ccccc3)C[C@@H]1CN2C(=O)OCc1ccccc1 ZINC000001655819 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@@H]31 ZINC000001656703 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)C#Cc1cc3c(cc1OCCCO2)C#Cc1cc(C(C)(C)C)ccc1OCCCO3 ZINC000001656711 KK Annotated Mild Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1O ZINC000001656723 KK Annotated Anodyne COc1ccc(-c2csc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)n2)cc1 ZINC000001656738 KK Annotated Anodyne COc1cc(/C=N/c2nc3cc4sc(/N=C/c5cc(OC)c(OC)c(OC)c5)nc4cc3s2)cc(OC)c1OC ZINC000001657699 KK Annotated Mild CCOc1cc(/C=N/c2nc3cc4sc(/N=C/c5ccc(O)c(OCC)c5)nc4cc3s2)ccc1O ZINC000001657700 KK Annotated Mild O=C1CS[C@@H](c2ccccc2)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4ccccc4)nc3cc2s1 ZINC000001657703 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4ccccc4)nc3cc2s1 ZINC000001657704 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2)N1c1nc2cc3sc(N4C(=O)CS[C@H]4c4ccccc4)nc3cc2s1 ZINC000001657705 KK Annotated Anodyne O=C1CS[C@@H](c2cccs2)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4cccs4)nc3cc2s1 ZINC000001657707 KK Annotated Anodyne O=C1CS[C@H](c2cccs2)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4cccs4)nc3cc2s1 ZINC000001657708 KK Annotated Anodyne O=C1CS[C@@H](c2cccs2)N1c1nc2cc3sc(N4C(=O)CS[C@H]4c4cccs4)nc3cc2s1 ZINC000001657709 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2O)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4ccccc4O)nc3cc2s1 ZINC000001657711 KK Annotated Clean O=C1CS[C@H](c2ccccc2O)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4c4ccccc4O)nc3cc2s1 ZINC000001657712 KK Annotated Clean O=C1CS[C@@H](c2ccccc2O)N1c1nc2cc3sc(N4C(=O)CS[C@H]4c4ccccc4O)nc3cc2s1 ZINC000001657713 KK Annotated Clean CC(C)(C)c1cc(C(C)(C)C)c(SSc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2O)c(O)c1O ZINC000001657722 KK Annotated Reactive Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3\C(=O)N(CN4CCOCC4)c4ccccc43)n2)cc1 ZINC000001658386 KK Annotated Mild Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3\C(=O)N(CN4CCCCC4)c4ccc(Cl)cc43)n2)cc1 ZINC000001658387 KK Annotated Mild Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(/N=C3\C(=O)N(CN4CCOCC4)c4ccc(Cl)cc43)n2)cc1 ZINC000001658388 KK Annotated Mild Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000001658813 KK Annotated Clean COc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]2c3cccn3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000001658849 KK Annotated Anodyne Cc1nn(CNc2ccc(F)c(Cl)c2)c(=S)n1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001658985 KK Annotated Mild COc1ccc(/C=C2\Sc3nnc(CNc4ccc(Cl)cc4)n3N=C2c2cc(F)c(Cl)cc2Cl)cc1OC ZINC000001659008 KK Annotated Anodyne Clc1ccc(-c2ccc(-c3nnc(CCc4nnc(-c5ccc(-c6ccc(Cl)cc6)o5)o4)o3)o2)cc1 ZINC000001659021 KK Annotated Anodyne CC(C)(C)OC(=O)NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12 ZINC000001659341 KK Annotated Anodyne O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S[C@@H]2NC(COc3ccc(Cl)cc3)=NN12 ZINC000001660326 KK Annotated Anodyne O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)S[C@H]2NC(COc3ccc(Cl)cc3)=NN12 ZINC000001660328 KK Annotated Anodyne Clc1ccc(OCc2nnc3sc(-c4ccc(-c5ccc(Cl)cc5Cl)o4)nn23)c(Cl)c1 ZINC000001660341 KK Annotated Anodyne COc1cc(/C=C2\N=C(c3ccccc3)N(c3cc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)ccc1O ZINC000001660548 KK Annotated Clean COc1cc(/C=C2\N=C(c3ccccc3)N(c3cc4cc(Sc5ccccc5)ccc4[nH]3)C2=O)cc(OC)c1OC ZINC000001660550 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000001660655 KK Annotated Reactive COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c(C(C)=O)c(O)c3c2O[C@@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660716 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@@H](CC(C)C)c2c(O)c(C(C)=O)c(O)c3c2O[C@@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660717 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c(C(C)=O)c(O)c3c2O[C@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660718 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@@H](CC(C)C)c2c(O)c(C(C)=O)c(O)c3c2O[C@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660719 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660720 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660721 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660722 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)O[C@H](C(C)(C)O)C3)c(O)c1C(C)=O ZINC000001660723 KK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3[C@@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000001661008 KK Annotated Anodyne O=C1[C@H](Cl)[C@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl ZINC000001662033 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl ZINC000001662034 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl ZINC000001662035 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl ZINC000001662036 KK Annotated Reactive Clc1ccc(NCc2nnc(COc3ccc(OCc4nnc(CNc5ccc(Cl)cc5)o4)c(Cl)c3)o2)cc1 ZINC000001662757 KK Annotated Anodyne COC(=O)c1c(OC(C)=O)ccc2c1c1c(OC(C)=O)c3ccccc3c(OC(C)=O)c1n2Cc1cc(OC)cc(OC)c1 ZINC000001663207 KK Annotated Bother O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(S)cc1Cl ZINC000001663288 KK Annotated Anodyne CCC(=C/c1sc2cc(C)c(C)cc2[n+]1CC)/C=C1\Sc2cc(/C=C/c3ccccc3)ccc2N1CC ZINC000001803778 KK Annotated Clean CCC(=Cc1sc2ccc(C)cc2[n+]1CC)/C=C1\Sc2ccc(/C=C/c3ccccc3)cc2N1CC ZINC000001804023 KK Annotated Clean Nn1c(CCCCCCCCc2nnc(-c3c(O)ccc4ccccc34)n2N)nnc1-c1c(O)ccc2ccccc12 ZINC000001855855 KK Annotated Anodyne O=[P@@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2Sc2c(ccc(Cl)c2Cl)O1 ZINC000001855867 KK Annotated Reactive O=P1(N(CCCl)CCCl)Oc2c(Cl)cc(Cl)c(Cl)c2Cc2c(Cl)c(Cl)cc(Cl)c2O1 ZINC000001855871 KK Annotated Reactive CN(C)c1cccc2c1C(=O)C=C[C@@]21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000001856439 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(NC(=O)OCc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC ZINC000001857881 KK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)c4ccc(C)c(=O)o4)[C@@]3(C)CC[C@H]2C1(C)C ZINC000001858421 KK Annotated Mild O=C(C[C@H](c1ccccc1)C(C(=O)c1ccncc1)[C@@H](CC(=O)c1ccncc1)c1ccccc1)c1ccncc1 ZINC000001858561 KK Annotated Anodyne O=C(C[C@@H](c1ccccc1)C(C(=O)c1ccncc1)[C@@H](CC(=O)c1ccncc1)c1ccccc1)c1ccncc1 ZINC000001858564 KK Annotated Anodyne O=C(C[C@H](c1ccccc1)C(C(=O)c1ccncc1)[C@H](CC(=O)c1ccncc1)c1ccccc1)c1ccncc1 ZINC000001858566 KK Annotated Anodyne COC(=O)C1=C(C(=O)NNc2ccccc2)N(c2cccnc2Cl)C(c2ccccc2)=C[C@H]1c1ccccc1 ZINC000001858590 KK Annotated Reactive CC1(C)OC(=O)c2cc(C(=CCCBr)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1 ZINC000001858695 KK Annotated Reactive COC(=O)c1cc(C(=CC(=O)OC(C)(C)C)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001858697 KK Annotated Anodyne Clc1ccc(Nc2nnc(CNc3ccc(-c4nnc(Nc5ccc(Cl)cc5)s4)cc3)s2)cc1 ZINC000001859691 KK Annotated Anodyne Sc1nnc(CNc2ccc(-c3nnc(S)n3-c3ccc(Cl)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000001859699 KK Annotated Anodyne Oc1ccc2ccccc2c1-c1nnc(CCCCCCCCc2nnc(-c3c(O)ccc4ccccc34)o2)o1 ZINC000001859715 KK Annotated Anodyne O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)c1cc2ccccc2o1 ZINC000001859938 KK Annotated Reactive Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000001859940 KK Annotated Reactive O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1)c1cc2ccccc2o1 ZINC000001859942 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC1(C[C@H]2c2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 ZINC000001860537 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC1(C[C@H]2c2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 ZINC000001860539 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC1(C[C@@H]2c2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 ZINC000001860540 KK Annotated Mild CCOc1ccc(N/C(=C(C(/Cl)=C(/Cl)N2CCCCC2)\[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000001860587 KK Annotated Anodyne CC(=O)N1N=C(c2ccccc2Nc2ccccc2C2=NN(C(C)=O)[C@@H](c3ccccc3)O2)O[C@@H]1c1ccccc1 ZINC000001860667 KK Annotated Anodyne CC(=O)N1N=C(c2ccccc2Nc2ccccc2C2=NN(C(C)=O)[C@@H](c3ccccc3)O2)O[C@H]1c1ccccc1 ZINC000001860669 KK Annotated Anodyne CC(=O)N1N=C(c2ccccc2Nc2ccccc2C2=NN(C(C)=O)[C@H](c3ccccc3)O2)O[C@H]1c1ccccc1 ZINC000001860675 KK Annotated Anodyne S=c1[nH]nc(-c2ccccc2Nc2ccccc2-c2nnc(S)n2-c2ccccc2)n1-c1ccccc1 ZINC000001860677 KK Annotated Anodyne COc1cc(/C=C2/S[C@H](c3ccccc3)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC ZINC000001860913 KK Annotated Anodyne COc1cc(/C=C2/S[C@@H](c3ccccc3)N(c3cc(Cl)ccc3Cl)C2=O)cc(OC)c1OC ZINC000001860919 KK Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3cc(Cl)ccc3Cl)[C@@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861084 KK Annotated Anodyne COc1cc(/C=C2\C(=O)N(c3cc(Cl)ccc3Cl)[C@H](c3ccccc3)S2(=O)=O)cc(OC)c1OC ZINC000001861088 KK Annotated Anodyne O=c1c(Nc2ccccc2)cn(CCOc2ccc(Cl)cc2)c(=O)n1CCOc1ccc(Cl)cc1 ZINC000001861265 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nnc(-c3cc(C#N)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1 ZINC000001861366 KK Annotated Mild COc1cccc(-n2c(N)c(-c3nc4cc(C(F)(F)F)ccc4s3)c3ccc([N+](=O)[O-])cc3c2=O)c1 ZINC000001861469 KK Annotated Bother CC[C@@H](C(=O)C(=O)[C@@H](CC)[P@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000001861604 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001861926 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCCCl)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001861933 KK Annotated Reactive Clc1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5Cl)nn34)nnc2s1 ZINC000001862009 KK Annotated Anodyne Clc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(Cl)cc6)nn45)nnc3s2)cc1 ZINC000001862012 KK Annotated Anodyne Oc1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5O)nn34)nnc2s1 ZINC000001862015 KK Annotated Anodyne Oc1ccc(-c2nn3c(CCCCCCCCc4nnc5sc(-c6ccc(O)cc6)nn45)nnc3s2)cc1 ZINC000001862017 KK Annotated Anodyne CS[C@@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862066 KK Annotated Clean CS[C@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 ZINC000001862068 KK Annotated Clean CS[C@@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862069 KK Annotated Clean CS[C@]12c3cc(C)n(-c4ccc(I)cc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 ZINC000001862070 KK Annotated Clean Oc1ccc(-c2c3c(nc4c2CCc2ccc(Br)cc2-4)-c2cc(Br)ccc2CC3)cc1 ZINC000001862156 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000001862178 KK Annotated Reactive COc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)nc(N)c2C#N)c2ccccc12 ZINC000001862566 KK Annotated Mild N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)[nH]c1=O ZINC000001862571 KK Annotated Mild COc1cc(NP(=O)(Oc2ccccc2)Oc2ccccc2)ccc1Nc1c2ccccc2nc2c1[nH]c1ccccc12 ZINC000001862777 KK Annotated Bother CN(CCNC(=S)c1cn(C)c2c1ccc1ccccc12)CCNC(=S)c1cn(C)c2c1ccc1ccccc12 ZINC000001863089 KK Annotated Anodyne COc1ccc([C@@H]2CC(c3cc4c(C)c(C(=O)c5ccccc5)oc4cc3O)=Nc3ccccc3S2)cc1OC ZINC000001863812 KK Annotated Anodyne C#Cc1cc(Br)c(OC(=O)C(C)(C)C)c(-c2cc(C#C)cc(Br)c2OC(=O)C(C)(C)C)c1 ZINC000001863819 KK Annotated Mild O=C(/C=C1\N=C(c2ccccc2)N(c2nc3c(Cl)cc(Cl)cc3s2)C1=O)/C=C/c1ccccc1 ZINC000001864545 KK Annotated Mild COc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4ccc(Sc5ccccc5)cc4[nH]3)C2=O)cc(OC)c1OC ZINC000001864594 KK Annotated Clean C=C1NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)/C1=N/Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001879482 KK Annotated Mild CCN(CC)CCOc1cc2c(cc1Br)-c1cc(Br)c(OCCN(CC)CC)cc1C2=NO ZINC000001883932 KK Annotated Mild CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000001890661 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2Cc3cc4c(cc3C(=O)[C@@H](C)S2)OCO4)cc1)OCC ZINC000001891664 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000001894669 KK Annotated Anodyne COc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2cc(Br)cs2)cc1OC ZINC000001904660 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccncc2)c1 ZINC000001908721 KK Annotated Anodyne COc1ccc(-c2c(/C(O)=N/S(=O)(=O)c3ccccc3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 ZINC000001911737 KK Annotated Mild COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C ZINC000001912547 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc[n+]([O-])c(C)c2)c1 ZINC000001912782 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccnc(C)c2)c1 ZINC000001912786 KK Annotated Anodyne CCN(CC)CC#CCCC1([C@@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1 ZINC000001913795 KK Annotated Mild COc1cc2c(c3c1CC[C@H](c1ccccc1)O3)[C@@H]1C[C@@](c3ccccc3)(Oc3cc(O)c(C)c(OC)c31)O2 ZINC000015044797 KK Annotated Anodyne COc1cc(O)c(CCC(C)(C)C[C@H]2Oc3cc(OC)cc(-c4ccccc4)c3C2(C)C)c(-c2ccccc2)c1 ZINC000015048139 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)C(=O)CC[C@@]34C)[C@]12C ZINC000015061786 KK Annotated Anodyne in-man COc1cc2oc(Cc3cc(OC)c(OC)cc3OC/C=C/c3ccccc3)c(-c3ccccc3)c2cc1O ZINC000015119365 KK Annotated Anodyne C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@@H]3C(C)C)c2O)c(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c1 ZINC000015122011 KK Annotated Mild in-vitro biogenic COc1cc(OC)c2c(O)c(C(C)=O)c(C)c(-c3ccc4cc5c(c(O)c4c3O)C(=O)C[C@](C)(O)C5)c2c1 ZINC000015150283 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015156007 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015156010 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015156013 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000015156016 KK Annotated Mild CC(C)=CCc1c2c(c(O)c3c(=O)c4c(oc13)oc1c3c(c(O)cc14)OC(C)(C)C=C3)CCC(C)(C)O2 ZINC000015206058 KK Annotated Bother in-vitro biogenic C=CCc1ccc(Oc2cc(CC=C)cc(O)c2O[C@]2(C)CCC[C@]3(C)CC[C@@H](C(C)(C)O)C[C@H]32)cc1 ZINC000015209732 KK Annotated Mild in-vitro COC1=CC2(C=C(OC)C1=O)C[C@@H](C)[C@H](C)[C@@H](OC(=O)c1ccccc1)c1cc(OC)c(OC)c(OC)c12 ZINC000015210787 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@H](Cc2c(C(C)(C)C=C)[nH]c3ccccc23)NC1=O ZINC000015214895 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H](Cc2c(C(C)(C)C=C)[nH]c3ccccc23)NC1=O ZINC000015214897 KK Annotated Mild CC(C)=CCC1=C(O)c2c(cc3c(CC=C(C)C)c(C)cc(O)c3c2O)C(CC=C(C)C)(CC=C(C)C)C1=O ZINC000015215608 KK Annotated Mild in-vitro biogenic COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C\CC/C(C)=C\C3)c(O)c2c1C/C=C(/C)CC/C=C(/C)C2 ZINC000015216551 KK Annotated Anodyne in-man CC(C)C1=C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)[C@@H]13 ZINC000015240239 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2C[C@@H]1[C@H]1C(=O)N(c2ccc(C(=O)O)cc2)C(=O)[C@@H]13 ZINC000015240240 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc(O)c3/C=C/c3cc(O)cc(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000015262383 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](C2=C(C)[C@H]3/C=C(/C)[C@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000015265887 KK Annotated Anodyne in-man endogenous CC1=C[C@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000015265889 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(C)cc(O)c2c(O)c3c(cc12)C(CC=C(C)C)(CC=C(C)C)C1=C(C=CC(C)(C)O1)C3=O ZINC000015267612 KK Annotated Mild in-vitro biogenic COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000015270587 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@@H](C)C2 ZINC000015270590 KK Annotated Anodyne in-vitro biogenic C#C/C=C\[C@H](O)CCCCCCCCCCC/C=C\CCCCCCCCCCC[C@H](O)C#CC#CC#CCO ZINC000015272388 KK Annotated Mild COc1cc(C=O)c(Oc2cc3cc4c5c(cc(OC)c(OC)c5c3cc2OC)CCN4C)cc1OC ZINC000015273859 KK Annotated Bother CC(C)=CCc1c2c(c(O)c3c(=O)c([C@@H](O)C=C(C)C)c(-c4cc(O)c(O)cc4O)oc13)C=CC(C)(C)O2 ZINC000015273918 KK Annotated Clean CC(C)=CCc1c2c(c(O)c3c(=O)c([C@H](O)C=C(C)C)c(-c4cc(O)c(O)cc4O)oc13)C=CC(C)(C)O2 ZINC000015273919 KK Annotated Clean CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@@H]2C(C)(C)CCC[C@]32C)cc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000015449153 KK Annotated Anodyne in-vitro CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H](CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000015449259 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H](CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000015449328 KK Annotated Anodyne CCOc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)[nH]1 ZINC000150020130 KK Annotated Anodyne COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3cccc(C)c3)c2)C(C)C)ccc1OC ZINC000150137879 KK Annotated Anodyne CCc1cc(C2CCC2)c(-c2nnc(CCOC)[nH]2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150173259 KK Annotated Anodyne CCc1cc(Cl)c(NC(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150188415 KK Annotated Mild CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)C[C@]3(C)O[C@H]3CC[C@]2(C)[C@@H](Br)CC1 ZINC000150212397 KK Annotated Reactive CCc1cc(Cl)c(NC(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCC(F)(c2ccc(F)cc2)CC1 ZINC000150233811 KK Annotated Anodyne CCc1cc(C2CCC2)c(-c2nnc(COC)[nH]2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1 ZINC000150241326 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)cn1 ZINC000150242662 KK Annotated Anodyne Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@H](c4ccncc4)N4CC(N)C4)cc3c2)c2ccccc2)c(C)c1 ZINC000150254847 KK Annotated Anodyne Cc1ccc([C@@H](NC(=O)Cc2ccc3oc([C@@H](c4ccncc4)N4CC(N)C4)cc3c2)c2ccccc2)c(C)c1 ZINC000150255289 KK Annotated Anodyne NC(=O)c1ccc(-c2ccc3c(c2)nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)cc1 ZINC000150255542 KK Annotated Anodyne COC(=O)c1cccc(-c2ccc3nn4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4c3c2)c1 ZINC000150260783 KK Annotated Anodyne COc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)[nH]1 ZINC000150297055 KK Annotated Anodyne CS(=O)(=O)c1cccc(-c2cccc3c2nn2cc(-c4ccccc4)c(-c4ccc(C5(N)CCC5)cc4)nc32)c1 ZINC000150310027 KK Annotated Anodyne CCOc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)[nH]1 ZINC000150323161 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](C[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4[C@H]3[C@@]3(Cc4ccccc4)/C(=N/CCc4c[nH]c5ccccc45)OC(=O)N3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000150338690 KK Annotated Mild aggregator COc1ccc([C@@H]2/C=C/C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000150338691 KK Annotated Anodyne COc1ccc([C@H]2/C=C/C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000150338692 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1 ZINC000150338693 KK Annotated Anodyne COc1ccc([C@H]2/C=C/C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1 ZINC000150338694 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150338702 KK Annotated Bother in-man COc1cc(O)c([C@@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)[C@@H]1[C@H](/C=C/c2ccc(O)cc2)C[C@H](CCc2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150338782 KK Annotated Anodyne in-vitro biogenic COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)[C@@H]1[C@H](/C=C/c2ccc(O)cc2)C[C@H](CCc2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150338784 KK Annotated Anodyne in-vitro biogenic COc1cc(O)c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)[C@H]2[C@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000150338792 KK Annotated Mild in-vitro biogenic CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCc3ccc(C(=O)Nc4ccnc(-c5ccccn5)c4)cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000150338827 KK Annotated Bother CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCc3ccc(C(=O)Nc4cc5cccnc5c5ncccc45)cc3)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000150338832 KK Annotated Bother C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150338838 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C ZINC000150338882 KK Annotated Anodyne CCCCCCCCCCC[C@H](O)CN(CCOCCOCCNC[C@H](O)CCCCCCCCCCC)C[C@H](O)CCCCCCCCCCC ZINC000150338938 KK Annotated Mild CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(C(C)(C)CC(C)(C)C)cc(Cc3cc(C(C)(C)CC(C)(C)C)ccc3OCOCCOCCO)c2OCOCCOCCO)c1 ZINC000150339016 KK Annotated Anodyne in-vitro C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O ZINC000150339145 KK Annotated Mild in-man COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@H]1C(C)(C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000150339160 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000150339563 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000150339565 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000150339566 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000150339567 KK Annotated Anodyne in-vitro CCN(Cc1cccc(S(=O)(=O)O)c1)c1cccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(O)cc2S(=O)(=O)O)c1 ZINC000150339642 KK Annotated Mild in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000150339719 KK Annotated Anodyne in-vitro COc1cc2c(cc1OC)[C@H](Cc1cc(OC)c(OC)c(OC)c1)C[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@@H]1Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000150339722 KK Annotated Bother COc1cc2c(cc1OC)[C@H](Cc1cc(OC)c(OC)c(OC)c1)C[N+](C)(CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)C2 ZINC000150339725 KK Annotated Bother CCOC(=O)CCC(=O)CC1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000150339968 KK Annotated Anodyne in-vitro CCOC(=O)CCC(=O)CC1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@]3(Cl)C1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000150339972 KK Annotated Anodyne in-vitro CCOC(=O)CCC(=O)CC1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@]3(Cl)C1(Cl)[C@]5(Cl)[C@]42Cl ZINC000150339974 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150340054 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150340056 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150340058 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150340061 KK Annotated Anodyne in-vitro O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc([131I])c(=O)c([131I])c-2oc2c([131I])c(O)c([131I])cc12 ZINC000150340107 KK Annotated Bother in-man O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc([125I])c(=O)c([125I])c-2oc2c([125I])c(O)c([125I])cc12 ZINC000150340111 KK Annotated Bother in-man COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150340144 KK Annotated Bother in-man CO[P@](=O)(O)OC[C@H](O)CO[P@@](=O)(O)OC[C@@H](COCC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150340147 KK Annotated Anodyne CO[P@](=O)(O)OC[C@H](O)CO[P@@](=O)(O)OC[C@@H](COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150340148 KK Annotated Anodyne CO[P@](=O)(O)OC[C@H](O)CO[P@@](=O)(O)OC[C@@H](COCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150340149 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@@H]5/C=C\CCCCC[C@@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150340150 KK Annotated Anodyne in-man CO[P@](=O)(O)OC[C@H](O)CO[P@@](=O)(O)OC[C@@H](COCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)OCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150340151 KK Annotated Anodyne CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CO/C(=C2\C=CC=CC2=O)N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000150340153 KK Annotated Mild in-vitro COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000150340208 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](OCCCOc2cccc(OCc3cc(-c4ccc(Cl)s4)on3)c2NC(=O)C2CCN(C(C)C)CC2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150340312 KK Annotated Anodyne COc1cc(Br)c(C(=O)N[C@@H](Cc2cccc(Oc3ccccc3)c2)[C@@H](O)CN(CCc2ccc(Cl)cc2Cl)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC ZINC000150340387 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)cc1 ZINC000150340538 KK Annotated Reactive C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150340779 KK Annotated Mild CC(C)CCN([C@H](CO)CCC[C@@H](NC(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC1)S(=O)(=O)c1ccc([C@@H](C)O)cc1 ZINC000150340854 KK Annotated Anodyne COC1=C(N)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000150340914 KK Annotated Mild in-vitro C=Cc1c(C)c2cc3nc(c4c5nc(cc6nc(cc1n2)c(C)c6CC)c(C)c5c(=O)[c-]4C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C ZINC000150341458 KK Annotated Bother in-vitro CC[C@@H]([C@H](C)OC(=O)CCCOP(=O)(O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000150341688 KK Annotated Clean in-vitro C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c%19c(c%18%14)c9c%13c%10c6c9c24)C2=C4c6c(c-%16c9c%10c6[C@H]([C@@H]5C7=C%10[C@]5(C[N+](C)(C)C[C@]8%115)[C@H]9[C@H]%15%12)[C@@]43C1)[C@@H]%17[C@H]2%20 ZINC000150342190 KK Annotated Bother in-vivo C[N+]1(C)C[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%15c%12c(c%20%16)c%21c%15c%23c5c(c68)c%15c%12%11)[C@@]2(C1)[C@H]%22[C@H]%19c1c-%18c2c5c(c13)[C@@H]4[C@@H]7C9=C5[C@]1(C[N+](C)(C)C[C@]%10%131)[C@H]2[C@H]%17%14 ZINC000150342195 KK Annotated Bother in-vivo Cc1ccc(S(=O)(=O)/N=C(/N=S(=O)(c2ccc(Br)cc2)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000150342198 KK Annotated Mild O=C(O)C1(C(=O)O)[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%15c%12c(c%20%16)c%21c%15c%23c5c(c68)c%15c%12%11)[C@@]12[C@H]%22[C@H]%19c1c-%18c2c5c(c13)[C@@H]4[C@@H]7C9=C5[C@@]1([C@H]2[C@H]%17%14)C(C(=O)O)(C(=O)O)[C@]%10%131 ZINC000150342204 KK Annotated Bother in-vivo C[C@]12CCSSC3(CCCCC3)[C@@]34C[C@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000150342229 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342231 KK Annotated Anodyne CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342233 KK Annotated Anodyne CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342240 KK Annotated Anodyne CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342243 KK Annotated Anodyne CNCc1ccc(CO)c([C@]23C=C[C@H]4CCC5=C6C[C@H]7C[C@@H](CO)[C@@H](CCCO)[C@]6(CC5=O)[C@@]7(C)CCSS[C@H](CC2)[C@]42N=C(N)NC[C@@H]32)c1 ZINC000150342244 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342247 KK Annotated Anodyne in-vivo CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342250 KK Annotated Anodyne in-vivo CNCc1ccc(CO)c(C[C@@H]2CNC(N)=N[C@@]23CC[C@H]2CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]5CC6=C2C(=O)C[C@@]64[C@@]5(C)CCSSC3)c1 ZINC000150342252 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342256 KK Annotated Anodyne CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342261 KK Annotated Anodyne C[C@]12CCSSC[C@]34C[C@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)[C@H]3CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]1CC1=C3C(=O)C[C@@]142 ZINC000150342262 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342271 KK Annotated Anodyne CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342275 KK Annotated Anodyne C[C@]12CCSS[C@H]3CC[C@H]4c5cc(ccc5CO)CSSC[C@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]62CC5=O)C[C@]31N=C(N)NC[C@H]41 ZINC000150342279 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342282 KK Annotated Anodyne C[C@]12CCSSC[C@@]34N=C(N)NC[C@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000150342286 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2Cc3nc(O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(O)nc1C3 ZINC000150342289 KK Annotated Anodyne CNCc1cccc(C[C@@H]2CNC(N)=N[C@@]23CC[C@H]2CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]5CC6=C2C(=O)C[C@@]64[C@@]5(C)CCSSC3)c1 ZINC000150342301 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@H](CSSCc5cccc(c5)C[C@@H]3CNC(N)=N4)[C@H]3CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]1CC1=C3C(=O)C[C@@]142 ZINC000150342308 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cccc(C[C@@H]2CNC(N)=N[C@@]23CC[C@H]2CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]5CC6=C2C(=O)C[C@@]64[C@@]5(C)CCSSC3)c1 ZINC000150342315 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]34N=C(N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000150342319 KK Annotated Reactive in-vitro biogenic C[C@]12CCSS[C@@H]3CC[C@@H]4c5cccc(c5)CSSC[C@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]62CC5=O)C[C@]31N=C(N)NC[C@H]41 ZINC000150342321 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]34N=C(N)NC[C@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000150342323 KK Annotated Reactive in-vitro biogenic CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000150342405 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000150342408 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000150342410 KK Annotated Mild in-vitro C=C1/C=C2\C=C[C@@]3(CC[C@@]4([C@H](CCCO)/C(=C(\C)C(=O)Cc5cccc6c5CC(=O)N[C@H]6N)CC[C@@]4(C)O)[C@@H]3O)C(=C2)COCC#CC/C(C)=C/CC1 ZINC000150342419 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4CC(=O)N[C@@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(CCCc2ccccc2)=C/CC1 ZINC000150342425 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCC4(O)CCCC4)/C(=C(\C)C(=O)Cc4cccc5c4CC(=O)N[C@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342432 KK Annotated Mild in-vitro biogenic C=C1/C=C2\C=C[C@@]3(CC[C@@]4([C@H](CCCO)/C(=C(\C)C(=O)Cc5cccc6c5OC(=O)N[C@@H]6N)CC[C@@]4(C)O)[C@@H]3O)C(=C2)COCC#CC/C(C)=C/CC1 ZINC000150342435 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(CCCc2ccccc2)=C/CC1 ZINC000150342437 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCC4(O)CCCC4)/C(=C(\C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342440 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4CC(=O)N[C@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342443 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4OC(=O)N[C@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342449 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/C[C@@H]1NCC ZINC000150342452 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(/C(=O)Cc4cccc5c4CC(=O)N[C@H]5N)C4CCCCC4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342461 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C4=C(\C)C(=O)Cc5cccc(C(N)N)c5CC#C[C@H]4C[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342467 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)CC[C@@]2(C)O)[C@@H]1O)[C@H](CC=C(C)C)NCC ZINC000150342471 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(/C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)C4CCCCC4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342474 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4CCN[C@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342478 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4C=CN[C@H]5N)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342482 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2[C@@H]3CCC[C@@]4(O)CC/C(=C(/C)C(=O)Cc5cccc(C(N)N)c5)[C@@H](CCCO)[C@]4(C3)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342485 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(CCCc2ccccc2)=C/CC1 ZINC000150342488 KK Annotated Mild in-vitro biogenic C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000150342490 KK Annotated Anodyne in-vitro C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCC4(O)CCCC4)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342493 KK Annotated Mild in-vitro biogenic C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000150342495 KK Annotated Anodyne in-vitro C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000150342501 KK Annotated Anodyne in-vitro C=C(/C=C1\C=C[C@@]2(CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4CC(=O)N[C@H]5N)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C ZINC000150342502 KK Annotated Mild in-vitro biogenic C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000150342505 KK Annotated Anodyne in-vitro C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3CC(=O)N[C@H]4N)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(/C)CCCc1ccccc1 ZINC000150342508 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCC3(O)CCCC3)/C(=C(\C)C(=O)Cc3cccc4c3CC(=O)N[C@@H]4N)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342514 KK Annotated Mild in-vitro biogenic C=C(/C=C1\C=C[C@@]2(CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C ZINC000150342518 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(/C)CCCc1ccccc1 ZINC000150342520 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342524 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)CO[C@@H]2C#CC/C(=C\CC1)CCSSC2 ZINC000150342527 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCC3(O)CCCC3)/C(=C(\C)C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342530 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3CC(=O)N[C@H]4N)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342536 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3cccc4c3CC(=O)N[C@H]4N)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C ZINC000150342539 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342543 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc(C(N)N)c3)CC[C@@]2(C)O)[C@@H]1O)[C@H](CC=C(C)C)NCC ZINC000150342547 KK Annotated Mild in-vitro biogenic C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(/C(=O)Cc4cccc(C(N)N)c4)C4CCCCC4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 ZINC000150342551 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(/C(=O)Cc3cccc4c3CC(=O)N[C@H]4N)C3CCCCC3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342552 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(/C(=O)Cc3cccc4c3OC(=O)N[C@H]4N)C3CCCCC3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342553 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C1/[C@H](O)CCC[C@H]2C[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@H](O)[C@@H]12)CCC=C(C)C ZINC000150342556 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3CCN[C@H]4N)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342560 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc4c3C=CN[C@H]4N)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342562 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3cccc(C(N)N)c3)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(/C)CCCc1ccccc1 ZINC000150342566 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C1/[C@@H](O)CCC[C@H]2C[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4ccc(O)cc4)CC[C@@]3(C)O)[C@H](O)[C@@H]12)CCC=C(C)C ZINC000150342571 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCC3(O)CCCC3)/C(=C(\C)C(=O)Cc3cccc(C(N)N)c3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342574 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3cccc(C(N)N)c3)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C ZINC000150342579 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C(=O)Cc3ccc(O)cc3)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(/C)CCCc1ccccc1 ZINC000150342582 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(/C(=O)Cc3cccc(C(N)N)c3)C3CCCCC3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342587 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3ccc(O)cc3)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C ZINC000150342593 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(/C(=O)Cc3ccc(O)cc3)C3CCCCC3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000150342595 KK Annotated Mild in-vitro biogenic C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)[C@H]4C(=O)[C@@H](C(=O)OC)C(=C4N3)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C=O ZINC000150342596 KK Annotated Reactive in-vitro CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23CCC5(CCCC5)[C@@H](C5(N6C(=O)C=CC6=O)CCCCC5)[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000150342634 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23C[C@H](C5(N6C(=O)C=CC6=O)CCCCC5)C[C@H]5CC[C@H](C[C@H]52)c2ccccc23)c1)CO4 ZINC000150342636 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23CCC[C@H](C5(N6C(=O)C=CC6=O)CCCCC5)[C@H]2C=Cc2ccccc23)c1)CO4 ZINC000150342637 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23C[C@@H](C5(N6C(=O)C=CC6=O)CCCCC5)CC[C@@H]2CCc2ccccc23)c1)CO4 ZINC000150342638 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23C[C@@H](CN5C(=O)C=CC5=O)C5(CCCC5)C[C@H]2CCc2ccccc23)c1)CO4 ZINC000150342644 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23c5c6cccc5C=C[C@@H]2[C@@H](C2(N5C(=O)C=CC5=O)CCCCC2)CC[C@@H]3C=C6)c1)CO4 ZINC000150342646 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23c5c6cccc5CC[C@H]2CC[C@H](C2(N5C(=O)C=CC5=O)CCCCC2)[C@H]3C=C6)c1)CO4 ZINC000150342650 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23C[C@H](CN5C(=O)C=CC5=O)C5(CCCC5)[C@@H]5CC[C@@H](C[C@@H]52)c2ccccc23)c1)CO4 ZINC000150342653 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23c5c6cccc5CC[C@H]2CC2(CCCC2)[C@H](CN2C(=O)C=CC2=O)[C@@H]3C=C6)c1)CO4 ZINC000150342654 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23C[C@@H](C5(N6C(=O)C=CC6=O)CCCCC5)CC[C@@H]2CCc2ccccc23)c1)CO4 ZINC000150342656 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23CCC[C@H](C5(N6C(=O)C=CC6=O)CCCCC5)[C@H]2C=Cc2ccccc23)c1)CO4 ZINC000150342658 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23C[C@@H](CN5C(=O)C=CC5=O)C5(CCCC5)C[C@H]2CCc2ccccc23)c1)CO4 ZINC000150342661 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]2(c3ccccc3)CCC3(CCCC3)[C@@H](C3(N5C(=O)C=CC5=O)CCCCC3)C2)c1)CO4 ZINC000150342663 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23CCC5(CCCC5)[C@H](CN5C(=O)C=CC5=O)[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000150342666 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]2(c3ccccc3)CCC3(CCCC3)[C@H](C3(N5C(=O)C=CC5=O)CCCC3)C2)c1)CO4 ZINC000150342669 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@H](CO)[C@@]3(c4ccccc4)CCC[C@@H](C4(N6C(=O)C=CC6=O)CCCCC4)C3)c2)CO5)CCCCC1 ZINC000150342671 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]2(c3ccccc3)CCC[C@@H](C3(N5C(=O)C=CC5=O)CCCCC3)C2)c1)CO4 ZINC000150342674 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]2(c3ccccc3)CCC3(CCCC3)[C@@H](CN3C(=O)C=CC3=O)C2)c1)CO4 ZINC000150342677 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23C[C@H](CN5C(=O)C=CC5=O)CC[C@H]2CCc2ccccc23)c1)CO4 ZINC000150342680 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]2(c3ccccc3)CCC3(CCCC3)[C@@H](CN3C(=O)C=CC3=O)C2)c1)CO4 ZINC000150342684 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]2(c3ccccc3)CCC[C@@H](C3(N5C(=O)C=CC5=O)CCCCC3)C2)c1)CO4 ZINC000150342686 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23c5c6cccc5CC[C@H]2CC[C@H](CN2C(=O)C=CC2=O)[C@H]3C=C6)c1)CO4 ZINC000150342687 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23C[C@H](CN5C(=O)C=CC5=O)C[C@H]5CC[C@H](C[C@H]52)c2ccccc23)c1)CO4 ZINC000150342689 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23C[C@H](CN5C(=O)C=CC5=O)CC[C@H]2CCc2ccccc23)c1)CO4 ZINC000150342692 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23CCC[C@H](CN5C(=O)C=CC5=O)[C@H]2C=Cc2ccccc23)c1)CO4 ZINC000150342696 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]2(c3ccccc3)CCC[C@@H](CN3C(=O)C=CC3=O)C2)c1)CO4 ZINC000150342705 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]2(c3ccccc3)CCC[C@H](CN3C(=O)C=CC3=O)C2)c1)CO4 ZINC000150342710 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@]2(c3ccccc3)C[C@@H]3C=c5cccc(CO)c5=C[C@@H]3C2)c1)CO4 ZINC000150342714 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@]23C[C@@H]5C=c6ccccc6=C[C@@H]5[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000150342716 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@]23C[C@@H]5C=c6ccccc6=C[C@@H]5[C@H]2CCc2ccccc23)c1)CO4 ZINC000150342720 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@]2(c3ccccc3)C[C@@H]3C=c5ccccc5=C(CC=O)[C@@H]3C2)c1)CO4 ZINC000150342724 KK Annotated Mild in-vitro biogenic COC(=O)c1ccccc1-c1c2ccc(=N)cc-2oc2cc(NC(=O)c3ccc(N=[N+]=[N-])c([125I])c3O)ccc12 ZINC000150342734 KK Annotated Mild in-vitro CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@@H](CO)C3(c4ccccc4)C[C@@H]4C=c6ccccc6=C[C@@H]4C3)c2)CO5)CCCCC1 ZINC000150342735 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@@H](CO)C3(c4ccccc4)C[C@@H]4C=c6ccccc6=C[C@@H]4C3)c2)CO5)CCCC1 ZINC000150342738 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)C2(c3ccccc3)C[C@@H]3C=c5ccccc5=C[C@@H]3C2)c1)CO4 ZINC000150342741 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSC7(CCCCC7)C5=C(c5cnc[cH-]5)C6)[C@H]4[C@H]2O)O3)c1O ZINC000150342804 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@@H]5C[C@@H]6CC[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@]7(CO)CSSC7(CCCC7)C5=C(c5cnc[cH-]5)C6)[C@@H]4[C@H]2O)O3)c1O ZINC000150342807 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@]45CC[C@H]6C[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSC7(CCCCC7)C7=C(c8cnc[cH-]8)C[C@H]6C[C@@H]7SS4)[C@@H]5[C@H]2O)O3)c1O ZINC000150342809 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSC7(CCCC7)C7=C(c8cnc[cH-]8)C[C@@H]6C[C@H]7SS4)[C@@H]5[C@H]2O)O3)c1O ZINC000150342812 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=C(c8cnc[cH-]8)C[C@@H]6C[C@H]7SS4)[C@@H]5[C@H]2O)O3)c1O ZINC000150342815 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(c5cnc[cH-]5)C6)[C@H]4[C@H]2O)O3)c1O ZINC000150342818 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(c6cnc[cH-]6)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O ZINC000150342821 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)[C@@H]2CC(c3cnc[cH-]3)=C[C@H](C2)SS5)c1O ZINC000150342823 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSS[C@@H]7CC[C@H](CO)C(=C57)C6)[C@@H]4[C@H]2O)O3)c1O ZINC000150342825 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(CCO)C6)[C@H]4[C@H]2O)O3)c1O ZINC000150342831 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@@H]6CC=C5C5(CCCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O ZINC000150342835 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@@H]5C[C@H]6CC=C5C5(CCCC5)SSC[C@]5(CO)c7c(c(OCCO)cc(c7[C@@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@@H]5CC6)c1O ZINC000150342840 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)[C@@H]2CC(CCO)=C[C@H](C2)SS5)c1O ZINC000150342842 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=CC[C@@H]6C[C@H]7SS4)[C@@H]5[C@H]2O)O3)c1O ZINC000150342844 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@@H]5C[C@H]6CC=C5CSSC[C@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@@H]5CC6)c1O ZINC000150342848 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@@H]5CCC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O ZINC000150342852 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)[C@H]2CCC[C@H](C2)SS5)c1O ZINC000150342856 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)[C@@H]2CC=C[C@H](C2)SS5)c1O ZINC000150342863 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@@H]3CC[C@@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H]4CCC[C@@H](C4)SS3)[C@H]2O)c1O ZINC000150342867 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)[C@H](C)CCSS5)c1O ZINC000150342871 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@@H]4CC=C[C@@H](C4)SS3)[C@H]2O)c1O ZINC000150342875 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O ZINC000150342878 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@@H]3CC[C@@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H]4CCC[C@@H](C4)SS3)[C@H]2O)c(O)c(OC)c1O ZINC000150342885 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@]45CC[C@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)[C@@H](C)CCSS5)c(O)c(OC)c1O ZINC000150342891 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]3CC[C@@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c1O ZINC000150342899 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@@H]1[C@@H](O)[C@H]2O6)[C@@H](C)CCSS3 ZINC000150342901 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OCCC(C)C)c1O ZINC000150342904 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@H]3CC[C@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O ZINC000150342909 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](C4)C[C@@H]1CC[C@H](SSCC[C@H]1C)[C@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 ZINC000150342911 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@@H](C)CCSS3)[C@H]2O)cc(OC)c1O ZINC000150342915 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC2CCCC2)c1O ZINC000150342922 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]3CC[C@@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O ZINC000150342930 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@@H]3CCC[C@@H](CC[C@@H]4Cc5c(c(OC)cc6c5[C@@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 ZINC000150342933 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@@H]3C=CC[C@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 ZINC000150342936 KK Annotated Reactive in-vitro biogenic CCC1=C(C)C2=NC1=Cc1[nH]c3c(c1C)=C(O)[C@H](C(=O)OC)C=3C1=NC(=CC3=NC(=C2)C(C=O)=C3C)[C@@H](C)[C@H]1CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150342938 KK Annotated Reactive in-vitro COc1cc2c(c(OC)c1O)CC#C[C@]13CC[C@@H](C[C@@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)[C@H](C)CCSS3 ZINC000150342939 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@H]3CC[C@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O ZINC000150342943 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]3CC[C@@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O ZINC000150342949 KK Annotated Reactive in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OCCO)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@H](c1ccc3c(c1)=C[CH+]N=3)C(CNCCCc1ccccc1)=C2 ZINC000150342967 KK Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNCCCc1ccccc1)=C2 ZINC000150342970 KK Annotated Mild in-vitro biogenic CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@@H](CO)CC5)O[C@H](c2cc(CCCO)c(O)c(OC)c2)[C@](CNCNC[C@@](C)(O)CC(C)C)(OCNC2CCCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000150342992 KK Annotated Mild in-vitro biogenic CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@H](CO)CC5)O[C@@H]2c3ccc(O)c(c3)OCCC#C[C@H](NCNC[C@@](C)(O)CC(C)C)[C@@]2(OCNC2CCCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000150342996 KK Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCCO)c(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@H](CO)O5)-c1ccc(O)c2c1[C@H](C4)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000150343011 KK Annotated Mild in-vitro biogenic CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@H](CO)CC5)O[C@@H]2c3ccc(O)c(c3)OCCC#C[C@H](NCNC[C@@](C)(O)CC(C)C)[C@@]2(OCNC2CCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000150343016 KK Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@@H](CO)O4)-c1ccc(O)c2c1[C@@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNC)=C2 ZINC000150343020 KK Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCc3ccccc3)c(O)c(c1)O[C@H](CO)CC#C[C@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@@H](CO)O5)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C4 ZINC000150343022 KK Annotated Mild in-vitro biogenic CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@@H](CO)CC5)O[C@H](c2ccc(O)c(OC)c2)[C@](CNCNC[C@@](C)(O)CC(C)C)(OCNC2CCCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000150343033 KK Annotated Mild in-vitro biogenic CC(C)C[C@@](C)(O)CNCN[C@@H]1C#CC[C@@H](CO)Oc2cc(ccc2O)[C@H]2Oc3c(c4c(c5c3CC[C@@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCCC1 ZINC000150343036 KK Annotated Mild in-vitro biogenic Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c([C@H]2c3ccc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000150343037 KK Annotated Clean in-vitro CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@@H](CO)CC5)O[C@H](c2ccc(O)c(OC)c2)[C@](CNCNC[C@@](C)(O)CC(C)C)(OCNC2CCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000150343043 KK Annotated Mild in-vitro biogenic CC(C)C[C@@](C)(O)CNCN[C@@H]1C#CCCOc2cc(cc(CCCO)c2O)[C@H]2Oc3c(c4c(c5c3CC[C@@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCCC1 ZINC000150343047 KK Annotated Mild in-vitro biogenic CC(C)C[C@@](C)(O)CNCN[C@H]1C#CC[C@H](CO)Oc2cc(ccc2O)[C@H]2Oc3c(c4c(c5c3CC[C@@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCC1 ZINC000150343049 KK Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1ccc(O)c(c1)OCCC#C[C@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@H](CO)O5)-c1ccc(O)c2c1[C@@H](C4)[C@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000150343052 KK Annotated Mild in-vitro biogenic CNCO[C@]12Cc3c4c(c5c(c3O[C@@H]1c1cc(CCc3ccccc3)c(O)c(c1)OCCC#C[C@@H]2NCNC[C@@](C)(O)CC(C)C)CC[C@H](CO)O5)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C4 ZINC000150343058 KK Annotated Mild in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@@H](CO)O4)-c1ccc(O)c2c1[C@@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000150343061 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@@]2(CNCNC[C@@](C)(O)CC(C)C)OCNC2CCCCC2)cc(CCCO)c1O ZINC000150343066 KK Annotated Mild in-vitro biogenic CC(C)C[C@@](C)(O)CNCN[C@H]1C#CCCOc2cc(ccc2O)[C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCCC1 ZINC000150343071 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)c5c3[C@H](C4)[C@H](c3ccc4c(c3)=C[CH+]N=4)C=C5)C[C@@]2(CNCNC[C@@](C)(O)CC(C)C)OCNC2CCCCC2)ccc1O ZINC000150343080 KK Annotated Mild in-vitro biogenic CC(C)C[C@@](C)(O)CNCN[C@H]1C#CCCOc2cc(ccc2O)[C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@]12OCNC1CCCC1 ZINC000150343084 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)c5c3[C@H](C4)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C=C5)C[C@@]2(CNCNC[C@@](C)(O)CC(C)C)OCNC2CCCC2)ccc1O ZINC000150343085 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=C[C@@](C)(CCC=C(C)C)O6)C4=O)C(=O)c4c(ccc5c4C=C[C@@](C)(CCC=C(C)C)O5)C2=O)C3=O)O1 ZINC000150343087 KK Annotated Mild in-vitro CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000150343093 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@@]2(CNCNC[C@@](C)(O)CC(C)C)OCNC2CCCCC2)ccc1O ZINC000150343098 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@@]2(CNCNC[C@@](C)(O)CC(C)C)OCNC2CCCC2)ccc1O ZINC000150343101 KK Annotated Mild in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c2c(c(O)c(CNC5CCC(=O)CC5)c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@H]1C=C2 ZINC000150343142 KK Annotated Reactive in-vitro biogenic COCCCCNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 ZINC000150343145 KK Annotated Reactive in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5c(CNC6CCC(=O)CC6)c(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 ZINC000150343152 KK Annotated Reactive in-vitro biogenic CCc1cc2c(nc1N)C#CCc1c(CNCCCCOC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 ZINC000150343155 KK Annotated Reactive in-vitro biogenic COCCCCNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 ZINC000150343159 KK Annotated Reactive in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c2c(c(O)c(CNCCCO)c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@@H]3CCC[C@@H](C3)N[C@H]1C=C2 ZINC000150343161 KK Annotated Reactive in-vitro biogenic CCc1cc2c(nc1N)C#CCc1c(CNCCCO)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 ZINC000150343165 KK Annotated Reactive in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5c(CNCCCO)c(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 ZINC000150343167 KK Annotated Reactive in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]1O2)C5)CC#Cc1nc(N)ccc1C[C@@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 ZINC000150343169 KK Annotated Reactive in-vitro biogenic CNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 ZINC000150343171 KK Annotated Reactive in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@]1(CC[C@@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc5ccccc5)[C@H]3O6)C4)C1)C2 ZINC000150343175 KK Annotated Reactive in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@H]1N[C@H]2CCC[C@@H](CSS[C@H](Cc4ccccc4)[C@H]1O3)C2 ZINC000150343177 KK Annotated Reactive in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@H](CSSC[C@@H]1O2)C5)CC#Cc1nc(N)ccc1[C@@H](CCc1ccccc1)[C@H]1CC[C@]4(Cc2cc(O)cc(OCO)c2-3)C1 ZINC000150343178 KK Annotated Reactive in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@H]1O2)C5)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc2cc(O)cc(OCO)c2-3)C1 ZINC000150343180 KK Annotated Reactive in-vitro biogenic CNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@H](CSSC[C@H]1O2)C3 ZINC000150343181 KK Annotated Reactive in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OCO)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 ZINC000150343182 KK Annotated Reactive in-vitro biogenic CCc1cc2c(nc1N)C#CCc1c(CNC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@@H]2CCC[C@H](CSSC[C@@H]1O3)C2 ZINC000150343184 KK Annotated Reactive in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@@H]1C4)Cc1cc(O)cc(OC)c1-5)[C@@H]2COC(C)=O)C=C[C@@H](NC)[C@@H](CNC)O3 ZINC000150343185 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@@H]1c2ccc(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@H]1C4)Cc1cc(O)cc(OC)c1-5)[C@@H]2COC(C)=O)C=C[C@@H](NC1CCCCC1)CO3 ZINC000150343186 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@@H]1c2ccc(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@H]1C4)Cc1cc(O)cc(OCO)c1-5)[C@@H]2COC(C)=O)C=C[C@@H](NC)CO3 ZINC000150343188 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@]4(CC[C@@H]1C4)Cc1cc(O)cc(OC)c1-5)[C@@H]2COC(C)=O)C=C[C@H](NC1CCCC1)CO3 ZINC000150343189 KK Annotated Mild in-vitro biogenic CCNc1ccccc1C[C@@H]1C=Cc2cc(N)nc3c2[C@H]1[C@@H]1CC[C@]2(Cc4cc(O)cc(OC)c4-c4ccc5c(c42)O[C@H](c2c(cc(O)c4c2C=C[C@H](NC)CO4)CC#C3)[C@H]5COC(C)=O)C1 ZINC000150343190 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(O[C@H](CNC)CNC3CCCCC3)cc2[C@H]2Oc3c(ccc4c3[C@@]3(CC[C@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343191 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)c1ccc(N)nc1C#CCc1cc(O)c5c(c1[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]1N[C@H]3CCC[C@H](CSSC[C@@H]1O5)C3)C2 ZINC000150343194 KK Annotated Reactive in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(O[C@H](CNC)CNC3CCCC3)cc2[C@H]2Oc3c(ccc4c3[C@@]3(CC[C@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343196 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OC(CNC)CNC)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OCO)c1-4)[C@@H]2COC(C)=O ZINC000150343197 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@@H]2CCC[C@H](CSSC[C@@H]1O3)C2 ZINC000150343200 KK Annotated Reactive in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]3N[C@@H]4CCC[C@H](CSSC[C@@H]3O6)C4)C1)C2 ZINC000150343202 KK Annotated Reactive in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2c(cc(OC(CNC)CNC)c(O)c2CNC)[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343204 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@@H]1c2ccc(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@H]1C4)Cc1cc(O)cc(OC)c1-5)[C@@H]2COC(C)=O)C=C[C@@H](NCCC(C)C)CO3 ZINC000150343205 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@@H]1c2cc(CC)c(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@H]1C4)Cc1cc(O)cc(OC)c1-5)[C@@H]2COC(C)=O)C=C[C@@H](NC)CO3 ZINC000150343207 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c3c(c2[C@H]2Oc4c(ccc5c4[C@]4(CC[C@@H]1C4)Cc1cc(O)cc(OC)c1-5)[C@@H]2COC(C)=O)C=C[C@@H](NC)CO3 ZINC000150343211 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(O[C@H](CNC)CNCCC(C)C)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343214 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2cc(CC)c(N)nc2C#CCc2cc(O)c(OC(CNC)CNC)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343216 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OC(CNC)CNC)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343217 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OCCNC3CCCCC3)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343220 KK Annotated Mild in-vitro biogenic CNC[C@@H]1Oc2c(O)cc3c(c2C=C[C@@H]1NC1CCCC1)[C@H]1Oc2c(ccc4c2[C@]2(CC[C@@H](Cc5ccc(N)nc5C#CC3)C2)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000150343223 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OCCNC)cc2[C@H]2Oc3c(ccc4c3[C@@]3(CC[C@H]1C3)Cc1cc(O)cc(OCO)c1-4)[C@@H]2COC(C)=O ZINC000150343226 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OCCNC3CCCC3)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343228 KK Annotated Mild in-vitro biogenic CNC[C@H]1Oc2c(O)cc3c(c2C=C[C@H]1NC)[C@H]1Oc2c(ccc4c2[C@]2(CC[C@@H](C2)[C@@H](CCc2ccccc2)c2ccc(N)nc2C#CC3)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000150343229 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OCCNCCC(C)C)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343230 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@]1(CC[C@H](C1)[C@@H](CCc1ccccc1)c1ccc(N)nc1C#CCc1cc(O)c5c(c1[C@@H](O4)[C@H]3COC(C)=O)C=C[C@H](NC1CCCCC1)CO5)C2 ZINC000150343231 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2cc(CC)c(N)nc2C#CCc2cc(O)c(OCCNC)cc2[C@H]2Oc3c(ccc4c3[C@@]3(CC[C@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343233 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OCCNC)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000150343237 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H](NC3CCCC3)CO6)C1)C2 ZINC000150343242 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CCc1ccccc1NC1(C)CCCC1)[C@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000150343244 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H]([C@H](CO)Cc1ccccc1)[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000150343252 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CCc1ccccc1)[C@@H]1CC[C@@]3(Cc4cc(O)cc(OCO)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000150343254 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CC1(c3ccccc3)CCCCC1)[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000150343255 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c(OC)cc1[C@H]1Oc3c(ccc4c3[C@]3(CC[C@@H](C2)C3)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000150343256 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNCCC(C)C)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 ZINC000150343258 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C[C@@H]2C=C[C@H]1C[C@@H](O)CC1(CCCC1)CN/C(N)=N/CC[C@@H]1[C@H](CCCC13CCCC3)Oc1cc(ccc1O)[C@@H]1Oc3cc(OC)c4c(c3C[C@H]1O)[C@@H]2Cc1cc(O)c(CC(C)C)cc1-4 ZINC000150343276 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]2C=C[C@@H]1C[C@@H](O)CCCN/C(N)=N/CC[C@@H]1[C@@H](CCCC13CCCC3)Oc1cc(ccc1O)[C@@H]1Oc3cc(OC)c4c(c3C[C@H]1O)[C@H]2Cc1cc(O)c(CC(C)C)cc1-4 ZINC000150343278 KK Annotated Anodyne in-vitro biogenic CC[C@H]1C[C@H]2C=C[C@@H]1C[C@H](O)CCCN/C(N)=N/CC[C@@H]1CCCC[C@H]1Oc1cc(ccc1O)[C@@H]1Oc3cc(OC)c4c(c3C[C@H]1O)[C@@H]2Cc1cc(O)c(CC(C)C)cc1-4 ZINC000150343279 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@@H]2[C@H](CC#CO3)CC[C@@H](CO)[C@H]2CCN=C(N)N)O4)C=C[C@H]1CCO ZINC000150343280 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCC[C@@H](CO)[C@@H]3C[C@H]3CCNC(N)=N3)c2)O4)C=C[C@H]1CCO ZINC000150343281 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@@H]3CCC5(CCCC5)[C@H](CO)[C@H]3CCN=C(N)N)c2)O4)C=C[C@@H]1CCO ZINC000150343284 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCC[C@H](CO)[C@H]3CCN=C(N)N)c2)O4)C=C[C@H]1CCO ZINC000150343285 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@@H]2C[C@@H](CO)CC[C@@H]2CC#CO3)O4)C=C[C@H]1CCO ZINC000150343286 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@H]2CC5(CCCC5)CC[C@H]2CC#CO3)O4)C=C[C@H]1CCO ZINC000150343291 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCCC[C@@H]3CCN=C(N)N)c2)O4)C=C[C@H]1CCO ZINC000150343293 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@@]14CC5(CCCC5)C[C@H]1c1[cH-]c(CC5=N[CH+]N=C5)nc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343355 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@@]14CCC[C@H]1c1[cH-]c(CC5=N[CH+]N=C5)nc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343357 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@@]14CCC[C@H]1c1[cH-]c(C5(C6=N[CH+]N=C6)CCCCC5)nc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343360 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@]14CC5(CCCC5)C[C@H]1c1[cH-]c(CC=O)nc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343364 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@@H](O)[C@@]14CC5(CCCC5)C[C@@H]1c1[cH-]cnc1C1=C[C@@]5(O3)O[C@@]3(C1=C4CC1(CC4(CCCC4)C4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343367 KK Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@]14CC5(CCCC5)C[C@H]1c1[cH-]cnc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343373 KK Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@@H](O)[C@@]14CC5(CCCC5)C[C@H]1CCC1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000150343375 KK Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@@H](O)[C@@]1(CCC4(CCCC4)C1)C1=C4C=C[C@@]5(O3)O[C@@]4([C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@]3(CCC4(CCCC4)C3)C1)C2=O ZINC000150343380 KK Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)C1(CC4(CCCC4)C4(CCCC4)C1)C1=C4C=C[C@@]5(O3)O[C@@]4([C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@]3(CCC4(CCCC4)C3)C1)C2=O ZINC000150343384 KK Annotated Clean in-vitro biogenic COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](n1ccn(Cc2cccc(C(C)(C)O)n2)c1=O)C(C)(C)C)C(C)(C)C ZINC000150343435 KK Annotated Anodyne OCCC1=CC2=C[C@@H]3CCC[C@]34CC[C@@]35CCC[C@@H]3C=C[C@@H](O)[C@@H]5[C@]4(C3=N[CH+]N=C3)[C@H]2N[C@H]1c1ccc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)cc1 ZINC000150343589 KK Annotated Mild in-vitro biogenic CC(C)(C)C1=C/C(=C\C=C\C=C\c2cc(C(C)(C)C)oc3c/c(=[N+]4/CCc5ccccc54)ccc2-3)c2ccc(N3CCc4ccccc43)cc2O1 ZINC000150343603 KK Annotated Anodyne CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@@]12C3=N[CH+]N=C3CC[C@@H]3CCC[C@]31CC[C@@]13CCC[C@H]1C=C[C@H](O)[C@H]32 ZINC000150343609 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@H]1C=C[C@H]2CCC[C@]23CC[C@]24CCC[C@H]2C=C[C@H](O)[C@H]4[C@@]13C1=N[CH+]N=C1 ZINC000150343616 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@H]1CC[C@@H]2CCC[C@@]23CC[C@]24CCC[C@@H]2C=C[C@@H](O)[C@@H]4[C@@]13C1=N[CH+]N=C1 ZINC000150343620 KK Annotated Mild in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@H](SSCCC[C@H]2O)[C@H]3O)C=C[C@@H]4CCO)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 ZINC000150343685 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@H]2O)[C@@H]3O)CC[C@@H]4CCO)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 ZINC000150343689 KK Annotated Reactive in-vitro biogenic CN[C@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@@H]3C[C@@H]4c6c-5cc5c7c(ccc(c67)[C@H](SSCCC[C@@H]3O)[C@H]4O)C[C@H](CCCO)[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000150343691 KK Annotated Reactive in-vitro biogenic CN[C@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@H](SSCCC[C@H]3O)[C@H]4O)C=C[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000150343694 KK Annotated Reactive in-vitro biogenic CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)CC[C@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000150343697 KK Annotated Reactive in-vitro biogenic CC[C@H]1CN[C@@H]2c3cccc(c3)Cc3c(O)c(CC(C)C)cc(-c4oc5cc(O)c6c(c5c(=O)c4O)O[C@@H]4C[C@H]5c7c-6cc(CCCO)c6cccc(c76)[C@@H](SSCCC[C@H]4O)[C@H]5O)c3CSS[C@H]2C1 ZINC000150343702 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@H](SSCCC[C@@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@H]1NCCC[C@@H]1SSC2 ZINC000150343710 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)[C@@H]2CC[C@@H](CO)[C@H]4C2)cc(Cc2cccc(O)c2)c1O ZINC000150343716 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@@H]3c5c-4cc4c6c(ccc(c56)[C@H](SSCCC[C@@H]2O)[C@H]3O)C[C@H](CCCO)[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O ZINC000150343720 KK Annotated Reactive in-vitro biogenic CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@@H]3C[C@H]4c6c-5cc(CCCO)c5cccc(c65)[C@H](SSCCC[C@@H]3O)[C@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000150343724 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@H](SSCCC[C@H]2O)[C@@H]3O)C=C[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O ZINC000150343731 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@H]2O)[C@@H]3O)CC[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O ZINC000150343736 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 ZINC000150343741 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 ZINC000150343745 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O ZINC000150343747 KK Annotated Reactive in-vitro biogenic CN[C@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@@H]4c6c-5ccc5cccc(c65)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000150343749 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 ZINC000150343754 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](N[C@H]1CCC[C@H](CCO)C1)CSSC2 ZINC000150343761 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 ZINC000150343766 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 ZINC000150343770 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](N[C@H]1CCC[C@H](Cc3ccccc3)C1)CSSC2 ZINC000150343775 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H]2N[C@@H](C)CCC[C@H]2CC(=O)O)N[C@@H]([C@](C)(O)C2(c3ccc(O)cc3)CCCC2)CC#Cc2ccccc2CC1 ZINC000150343833 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3CCO)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2ccccc2CC1 ZINC000150343837 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2c(CC)cccc2CC1 ZINC000150343840 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3CCO)C#C[C@H](C[C@@H]2CC[C@H](CCC(=O)O)NCC)c2ccccc2CC1 ZINC000150343842 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CC[C@H](CCC(=O)O)NCC)c2ccccc2CC1 ZINC000150343848 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3CCO)C#C[C@H](C[C@@H]2CCCC2(CC(=O)O)CCCC2)c2ccccc2CC1 ZINC000150343850 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3CCO)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2ccccc2CC1 ZINC000150343855 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2c(CC)cccc2CC1 ZINC000150343858 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3CCO)C#C[C@H](C[C@@H]2CC[C@@H](CCC(=O)O)CCC(C)C)c2ccccc2CC1 ZINC000150343862 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2CCO)CC#Cc2ccccc2CC1 ZINC000150343866 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2ccccc2CC1 ZINC000150343869 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CC[C@@H](CCC(=O)O)CCC(C)C)c2ccccc2CC1 ZINC000150343874 KK Annotated Mild in-vitro biogenic NC(=O)c1[o+]c2cc(O[C@@H]3O[C@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](C6=C[CH+]N=C6)[C@@H]([C@@H]6CC#CCC[C@@H]7C=C/C(=C/C6)c6ccccc67)CNC[C@]35O)[C@@H]4O)ccc2c(=O)[c-]1-c1ccc(O)cc1 ZINC000150343933 KK Annotated Reactive in-vitro biogenic NC(=O)c1[o+]c2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@]4(C=O)OCSSC[C@H](C5=C[CH+]N=C5)[C@H]([C@H]5CC#CCC[C@@H]6C=C/C(=C/C5)c5ccccc56)CNC[C@]34O)ccc2c(=O)[c-]1-c1ccc(O)cc1 ZINC000150343936 KK Annotated Reactive in-vitro biogenic CNCC[C@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@]3(C=O)OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150343940 KK Annotated Reactive in-vitro biogenic NC(=O)c1[o+]c2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H]4OCSSC[C@H](C5=C[CH+]N=C5)[C@H]([C@H]5CC#CCC[C@@H]6C=C/C(=C/C5)c5ccccc56)CNC[C@]34O)ccc2c(=O)[c-]1-c1ccc(O)cc1 ZINC000150343943 KK Annotated Reactive in-vitro biogenic C[C@H]1C=C/C(=C\C[C@@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@]3(C=O)OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150343945 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1CCCNCCc1ccc(O)cc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150343948 KK Annotated Reactive in-vitro biogenic CNCC[C@@H]1C=C/C(=C\C[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150343950 KK Annotated Reactive in-vitro biogenic CCCNCC[C@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150343953 KK Annotated Reactive in-vitro biogenic C[C@H]1C=C/C(=C\C[C@@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150343956 KK Annotated Reactive in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@]1(C)CCC=C(C)C ZINC000150343958 KK Annotated Mild in-vivo NC(=O)c1[o+]c2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@]4(C=O)OCSSC[C@H](C5=C[CH+]N=C5)[C@H]([C@@H]5CC#CCCCc6ccccc6/C=C/C5)CNC[C@]34O)ccc2c(=O)[c-]1-c1ccc(O)cc1 ZINC000150343959 KK Annotated Reactive in-vitro biogenic O=C[C@@]12OCSSC[C@H](C3=C[CH+]N=C3)[C@@H]([C@H]3CC#CCC[C@@H]4C=C/C(=C/C3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c1)O[C@H](C(=O)O)[C@H]2O ZINC000150343968 KK Annotated Reactive in-vitro biogenic CCCCCCNCCCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150343977 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1CCCNC1CCCCC1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150343982 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1CCCNC1CCCC1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150343984 KK Annotated Reactive in-vitro biogenic O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c2)[C@@]2(O)CNC[C@@H]([C@@H]3CC#CCC[C@@H]4C=C/C(=C/C3)c3ccccc34)[C@H](C3=C[CH+]N=C3)CSSCO[C@H]2[C@@H]1O ZINC000150343987 KK Annotated Reactive in-vitro biogenic C[C@H]1C=C/C(=C\C[C@@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@]3(C=O)OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150343992 KK Annotated Reactive in-vitro biogenic CCCNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150343998 KK Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344002 KK Annotated Reactive in-vitro biogenic CNCC[C@@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150344008 KK Annotated Reactive in-vitro biogenic CCCNCC[C@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150344010 KK Annotated Reactive in-vitro biogenic C[C@H]1C=C/C(=C\C[C@@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 ZINC000150344014 KK Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150344023 KK Annotated Reactive in-vitro biogenic O=C[C@@]12OCSSC[C@H](C3=C[CH+]N=C3)[C@H]([C@@H]3CC#CCCCc4ccccc4/C=C/C3)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c1)O[C@H](C(=O)O)[C@H]2O ZINC000150344025 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@H](C3CCC(C[C@H](CO)CCCO)CC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344033 KK Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150344036 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](C3CCC(CCCO)CC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344038 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@@H](C3CCC(CCCO)CC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344042 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc7c3C=C[C@@H](N7)SS[C@H](O)[C@@H](C3CCC(CCCO)CC3)C/C=C\5OC6=O)[C@@H]42)CCCC1 ZINC000150344050 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](O)C4CCCCC4)[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344061 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](O)[C@H](C4CCC(C[C@H](CO)CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344072 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344079 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](O)[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344085 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SS[C@H](O)[C@H](C4CCC(CCCO)CC4)C/C=C\5OC6=O)[C@@H]32)CCCC1 ZINC000150344091 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](O)C3CCCCC3)[C@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344096 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344101 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344109 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](O)C4CCCCC4)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344114 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](CCCCO)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344123 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344130 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344133 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344137 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SS[C@@H](O)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344142 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSSC[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344145 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344148 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](CCCCO)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344151 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344160 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SS[C@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344164 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SSC[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344168 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344169 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CCCO)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344174 KK Annotated Reactive in-vitro biogenic O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c2)[C@@]2(O)CNC[C@@H]([C@@H]3CC#CCCCc4ccccc4/C=C/C3)[C@@H](C3=C[CH+]N=C3)CSSCO[C@H]2[C@@H]1O ZINC000150344177 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@@H](C4CCCCC4)C/C=C\5OC6=O)[C@@H]32)CCCC1 ZINC000150344179 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](O)[C@@H](C4CCCCC4)C/C=C\5OC6=O)[C@@H]32)CCCC1 ZINC000150344181 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4C4(CCCC4)c4ccnc(c4)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344183 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344185 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344186 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@@H](C)C/C=C\5OC6=O)[C@@H]32)CCCC1 ZINC000150344188 KK Annotated Reactive in-vitro biogenic CNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344191 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc7c4C=C[C@H](N7)SS[C@@H](NC[C@H](C)O)[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344194 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344198 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc7c4C=C[C@H](N7)SS[C@H](O)[C@H](C)C/C=C\5OC6=O)[C@@H]32)CCCC1 ZINC000150344201 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000150344205 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4C4(CCCC4)c4ccnc(c4)NCSSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344209 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3Cc3ccnc(c3)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000150344211 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C3CCCCC3)C/C=C/4OC5=O)[C@@H]21 ZINC000150344216 KK Annotated Reactive in-vitro biogenic CCCC1=C2OC(=O)C3=C2[C@@H](CC1)C[C@H]1[C@@H]2CC[C@@]4(C5=C2[C@@H](CN2C(=O)C=CC2=O)c2ccnc(c2)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]31 ZINC000150344218 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc7c4C=C[C@H](N7)SSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000150344223 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc6c3C=C[C@H](N6)SSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000150344229 KK Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344232 KK Annotated Reactive in-vitro biogenic CCCNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344240 KK Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344248 KK Annotated Reactive in-vitro biogenic CNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344263 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150344264 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150344271 KK Annotated Reactive in-vitro biogenic CCCNCCCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344277 KK Annotated Reactive in-vitro biogenic CCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 ZINC000150344279 KK Annotated Reactive in-vitro biogenic CNCC[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344282 KK Annotated Reactive in-vitro biogenic C[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 ZINC000150344287 KK Annotated Reactive in-vitro biogenic CN[C@@H]1C[C@H]([C@H](CO)C/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2cccc(CNC5CCCCC5)c2)=C3C(=O)O/C4=C\[C@H](CCO)Cc2ccccc2)CCN1 ZINC000150344296 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1C[C@@H]([C@H](CO)C/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2cccc(CNC5CCCC5)c2)=C3C(=O)O/C4=C\[C@H](CCO)Cc2ccccc2)CCN1 ZINC000150344299 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2ccc(O)cc2C2=C3C(=O)O/C(=C\[C@H](CCO)Cc4ccccc4)[C@@]34CC[C@@H]2[C@@H]2CCC3=C(C(=O)O/C3=C\C[C@H](CO)[C@@H]3CCN[C@H](NCCCC(C)C)C3)[C@@H]24)c1 ZINC000150344303 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@@H](NC)CC[C@@]45CCC6=C(C(=O)O/C6=C\CC6([C@@H]7CCN[C@@H](NC)C7)CCCC6)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000150344308 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)[C@@H]1CCN[C@@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000150344310 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)[C@@H]1CCN[C@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000150344314 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)[C@@H]1CCN[C@H](NCCCC(C)C)C1)OC2=O)Cc1ccccc1 ZINC000150344322 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC1([C@@H]3CCN[C@H](NC)C3)CCCC1)OC2=O)Cc1ccccc1 ZINC000150344328 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC1([C@@H]3CCN[C@H](NCCCC(C)C)C3)CCCC1)OC2=O)Cc1ccccc1 ZINC000150344334 KK Annotated Anodyne in-vitro biogenic CC(C)C(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000150344342 KK Annotated Mild CC(C)C(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000150344344 KK Annotated Mild CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)[C@H](O)COC5CCCC5)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344420 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@@](C)(O)[C@H](O)COC)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6C5CCCCC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344425 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@@](C)(O)[C@H](O)COC)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6C5CCCCC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344426 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)[C@H](O)COC)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344430 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC5CCCCC5)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344432 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(NC[C@@](C)(O)CCOC)cc([C@@H](O)CNC)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344433 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC5CCCC5)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344434 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@@](C)(O)CCOC)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6C5CCCCC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344437 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@@](C)(O)CCOC)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6C5CCCCC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344438 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344439 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(NC[C@H](C)O)cc([C@@H](O)CNC)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344440 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5[C@@H]4C=CC=CC4)C[C@H]1OC3=O)C2 ZINC000150344441 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344442 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344443 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6C5CCCCC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344444 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6C5CCCCC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344445 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5C4CCCCC4)C[C@H]1OC3=O)C2 ZINC000150344447 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5[C@@H]4C=CC=CC4)C[C@H]1OC3=O)C2 ZINC000150344449 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5[C@@H]4C=CC=CC4)C[C@H]1OC3=O)C2 ZINC000150344453 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6[C@@H]5C=CC=CC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344458 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6[C@@H]5C=CC=CC5)C[C@H]1OC3=O)CC4)C2 ZINC000150344459 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5[C@@H]4C=CC=CC4)C[C@H]1OC3=O)C2 ZINC000150344461 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4c3cc(c(O)c4C3CCCCC3)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@@]3(O)CCC)C2)cc1NC[C@H](C)O ZINC000150344464 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4c3cc(c(O)c4[C@H]3C=CC=CC3)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@@]3(O)CCC)C2)cc1NC[C@H](C)O ZINC000150344465 KK Annotated Mild in-vitro biogenic CCc1c(O)c2cc3c1OC(=O)C[C@@H]3C#C[C@@H](c1cc(O)cc(CO)c1)C/C1=C/[C@@H](O)Cc3cccc(c3)C[C@@H]3C(=O)CC[C@@H]4[C@H]3CC[C@H](CC)[C@@]4(O)[C@@H](C2)OC1=O ZINC000150344467 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000150344468 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(NC[C@H](C)O)cc([C@@H](O)CNC)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000150344469 KK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@H]2[C@H]3Cc4cccc(c4)C4(CCCCC4)[C@H](O)/C=C4/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@@H](OC4=O)[C@@]1(O)[C@@H]2CCC3=O ZINC000150344470 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000150344473 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000150344474 KK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@H]2[C@@H]3Cc4cccc(c4)C[C@H](O)/C=C4/C[C@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@@H](OC4=O)[C@@]1(O)[C@@H]2CCC3=O ZINC000150344475 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6CC)C[C@H]1OC3=O)CC4)C2 ZINC000150344477 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000150344478 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344482 KK Annotated Mild in-vitro biogenic CCc1c(O)c2cc3c1OC(=O)C[C@H]3C#C[C@H](c1cc(CO)cc(NC[C@H](C)O)c1)C/C1=C/[C@H](O)Cc3cccc(c3)C[C@@H]3C(=O)CC[C@@H]4[C@H]3CCC[C@@]4(O)[C@@H](C2)OC1=O ZINC000150344487 KK Annotated Mild in-vitro biogenic COCC[C@@](C)(O)CNc1cc(CO)cc([C@@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]35O)C2)c1 ZINC000150344489 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(NC[C@H](C)O)cc([C@@H](O)CNC)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344490 KK Annotated Mild in-vitro biogenic CCCCCc1c(O)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@@H]4CC[C@H](CC)[C@@]35O)C2)cc1CO ZINC000150344492 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4c3cc(c(O)c4CC)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@@]3(O)CCC)C2)cc1NC[C@H](C)O ZINC000150344495 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344497 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(O)cc(CO)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344498 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCC3)[C@H](O)/C=C3/C[C@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344500 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3cccc(c3)C3(CCCC3)[C@H](O)/C=C3/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344502 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)C4(CCCCC4)c4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]35O)C2)c1 ZINC000150344503 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)C4(CCCC4)c4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]35O)C2)c1 ZINC000150344504 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344507 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3\C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344510 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C4\CCc5ccc(cc5C[C@H]4O)C[C@H]4C(=O)CC[C@H]5[C@H]4CCC[C@]53O)C2)c1 ZINC000150344512 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344514 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344517 KK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@H]2[C@@H]3Cc4cccc(c4)CC/C=C4/C[C@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@@H](OC4=O)[C@@]1(O)[C@@H]2CCC3=O ZINC000150344525 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@@]3(O)CCC)C2)cc1NC[C@H](C)O ZINC000150344529 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cc(CO)cc(NC[C@@](C)(O)CCOC)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344531 KK Annotated Mild in-vitro biogenic CCCCCc1c(O)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@@]3(O)CCC)C2)cc1CO ZINC000150344534 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000150344536 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]35O)C2)cc1NC[C@H](C)O ZINC000150344539 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cc(NC[C@H](C)O)cc([C@@H](O)CNC)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344541 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)C4(CCCCC4)c4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344543 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(CCCCC3)[C@H](O)/C=C3/C[C@H](c4cc(O)cc(CO)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344547 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)C4(CCCC4)c4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344550 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3cccc(c3)C3(CCCC3)[C@H](O)/C=C3/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344553 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3cccc(c3)C3(C/C=C4/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC4=O)CCCCC3)C2 ZINC000150344562 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C3(C/C=C4/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC4=O)CCCC3)C2 ZINC000150344564 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3ccc4c(c3)CC/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344569 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3ccc4c(c3)CC/C(=C3\C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344570 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cc(CO)cc(NC[C@H](C)O)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344571 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344572 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C(=O)CC[C@@H]5[C@H]4CCC[C@@]35O)C2)c1 ZINC000150344573 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)cc1NC[C@H](C)O ZINC000150344574 KK Annotated Mild in-vitro biogenic O=C1C[C@H]2C#C[C@@H](c3cc(O)cc(CO)c3)C/C3=C/CCc4cccc(c4)C[C@H]4C(=O)CC[C@@H]5[C@@H]4CCC[C@@]5(O)[C@@H](Cc4cc2c(cc4O)O1)OC3=O ZINC000150344576 KK Annotated Mild in-vitro biogenic COCC[C@@](C)(O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344577 KK Annotated Mild in-vitro biogenic CCCCCc1c(O)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\[C@H](O)Cc4cccc(c4)C[C@@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)cc1CO ZINC000150344579 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3c2cc(c(O)c3CC)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O ZINC000150344582 KK Annotated Mild in-vitro biogenic CNC[C@H](O)c1cc(NC[C@H](C)O)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344583 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@@]3(O)CCC)C2)cc1NC[C@H](C)O ZINC000150344584 KK Annotated Mild in-vitro biogenic CNC[C@H](O)c1cc(O)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344585 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@H]3[C@H]2CCC(=O)C32CCCC2)OC1=O ZINC000150344589 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CC4(CCCCC4)c4cccc(c4)C[C@@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344590 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CC4(CCCC4)c4cccc(c4)C[C@@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344592 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3cccc(c3)C3(C/C=C4/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC4=O)CCCCC3)C2 ZINC000150344596 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(C/C=C4/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC4=O)CCCC3)C2 ZINC000150344597 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C4\CCc5ccc(cc5CC4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344598 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C4/CCc5ccc(cc5CC4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344601 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)CC/C(=C3/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344603 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)CC/C(=C3\C[C@@H](c5cc(O)cc(CO)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344604 KK Annotated Mild in-vitro biogenic C[C@H](O)CNc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344605 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344606 KK Annotated Mild in-vitro biogenic CCNc1cc(CO)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344613 KK Annotated Mild in-vitro biogenic CCCCCc1c(CO)cc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)cc1NC[C@H](C)O ZINC000150344617 KK Annotated Mild in-vitro biogenic CCCCCc1c(O)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)cc1CO ZINC000150344621 KK Annotated Mild in-vitro biogenic O=C1C[C@H]2C#C[C@@H](c3cccc(CO)c3)C/C3=C/CCc4cccc(c4)C[C@H]4C(=O)CC[C@@H]5[C@@H]4CCC[C@@]5(O)[C@@H](Cc4cc2c(cc4O)O1)OC3=O ZINC000150344623 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](O)C3CCCCC3)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000150344624 KK Annotated Mild in-vitro biogenic Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@H]7C=CCCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000150344625 KK Annotated Anodyne in-vivo C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3c2cc(c(O)c3CC)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O ZINC000150344626 KK Annotated Mild in-vitro biogenic CNC[C@H](O)c1cccc([C@H]2C#C[C@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344627 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@H]3[C@H]2CCC(=O)C32CCCC2)OC1=O ZINC000150344629 KK Annotated Mild in-vitro biogenic O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Cl)cc7)cccc56)[C@@H]1CC4)[C@H]23 ZINC000150344632 KK Annotated Anodyne in-vivo O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Br)cc7)cccc56)[C@@H]1CC4)[C@H]23 ZINC000150344634 KK Annotated Anodyne in-vivo C[C@]1(O)[C@H]2CCC(=O)[C@H](Cc3cccc(c3)C3(C/C=C4/C[C@@H](c5cccc(CO)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC4=O)CCCCC3)C2 ZINC000150344635 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)C3(C/C=C4/C[C@@H](c5cccc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC4=O)CCCC3)C2 ZINC000150344636 KK Annotated Mild in-vitro biogenic C[C@H](O)[C@H](O)Cc1cc(CO)cc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)c1 ZINC000150344638 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CC[C@H]3CC[C@@H]4CC(=O)C[C@H]3[C@@H]42)OC1=O ZINC000150344642 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)CC/C(=C3/C[C@@H](c5cccc(CO)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344645 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)CC/C(=C3\C[C@@H](c5cccc(CO)c5)C#C[C@@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000150344647 KK Annotated Mild in-vitro biogenic C[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cccc(CO)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000150344648 KK Annotated Mild in-vitro biogenic CCCCCc1ccc([C@H]2C#C[C@@H]3CC(=O)Oc4cc(O)c(cc43)C[C@H]3OC(=O)/C(=C\CCc4cccc(c4)C[C@H]4C[C@@H](CCC4=O)[C@]3(C)O)C2)cc1CO ZINC000150344649 KK Annotated Mild in-vitro biogenic CC(C)CC/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@H]32)OC1=O ZINC000150344650 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2[cH-]cc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@@H]([C@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6CC6=N[CH+]N=C6)C3)C[C@@H]4NC(=N)NC3CCCCC3)[C@]3(CCC[C@H]3CO)C5)[s+]2)s1 ZINC000150344662 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2[cH-]cc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@@H]([C@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6CC6=N[CH+]N=C6)C3)C[C@@H]4NC(=N)NC)[C@]3(CCC[C@@H]3CO)C5)[s+]2)s1 ZINC000150344663 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2[cH-]cc(C(=O)[C@H]3CC[C@H]4C[C@]35C[C@@H]([C@@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6CC6=N[CH+]N=C6)C3)C[C@H]4NC(=N)NC3CCCCC3)[C@H]([C@H](O)CO)C5)[s+]2)s1 ZINC000150344664 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2[cH-]cc(C(=O)[C@@H]3CC[C@H]4C[C@]35C[C@@H]([C@@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6CC6=N[CH+]N=C6)C3)C[C@@H]4NC(=N)NC)[C@H]([C@H](O)CO)C5)[s+]2)s1 ZINC000150344665 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@@H]([C@@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6)C3)C[C@@H]4NC(=N)NC)[C@@]3(CCC[C@@H]3CO)C5)s2)s1 ZINC000150344667 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4C[C@]35C[C@H]([C@H](O)CO)[C@H](C5)C3(C#Cc5c(cc(O)c6c5N[C@H]([C@H](C)O)C=C6)C[C@H]4NC(=N)NC)CCCCC3)s2)s1 ZINC000150344670 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4C[C@]35CC[C@H](C5)[C@H]3C#Cc5c(cc(O)cc5NC[C@](C)(O)Cc5cccc(c5)C3)C[C@H]4NC(=N)NC)s2)s1 ZINC000150344681 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)[C@H](CNCC)C5)s2)s1 ZINC000150344685 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)[C@H](CNC)C5)s2)s1 ZINC000150344686 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4C[C@]35CC[C@H](C5)C3(C#Cc5c(cc(O)cc5NC[C@H](C)O)C[C@@H]4NC(=N)NC)CCCCC3)s2)s1 ZINC000150344687 KK Annotated Mild in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@H]1CC4(CCCC4)C[C@@]21C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344695 KK Annotated Reactive in-vitro biogenic O=C[C@H]1CC2(CCCC2)C[C@@]12CC[C@]1(C[C@@]3(O)[C@@H](O)[C@H](Oc4cccc5c4C(=O)[C@]4(CSSCNc6cc1ccn6)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]4C5=O)O[C@H](CO)[C@H]3O)C2 ZINC000150344696 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc2c(cn1)CC[C@H]1CCC[C@]21C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344700 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc5c(cn4)CC[C@@H]4CC6(CCCC6)C[C@]54C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344701 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CC[C@@]5(CCC[C@@H]5CCO)C4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344702 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CC[C@@]5(CCCC56CCCC6)C4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344704 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc(ccn1)[C@@]1(CCC2(CCCC2)C1)C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344706 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CCC5(CCCC5)C4)[C@H]4CC[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344710 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CCC5(CCCC5)C4)[C@H]4C=C[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344714 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSS[C@@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@]6(C[C@@]6(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]6O)c3ccnc(c35)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344717 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)C1(CCCC1)C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O ZINC000150344721 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSS[C@@H]4Nc5nccc6c5-c5c4cccc5[C@H]4CCC[C@@]64C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344724 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSS[C@H]4Nc5nccc6c5C5=C4CC=C5[C@@H]4CCC[C@]64C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000150344738 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(CC3CCCCC3)=C[C@H]12 ZINC000150344749 KK Annotated Reactive in-vitro biogenic CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@]2(CSS[C@@H]2Nc3nccc5c3-c3c2cccc3[C@H]2CCC[C@@]52C[C@@]2(O)[C@@H](O)[C@H](O4)O[C@H](CO)[C@H]2O)C(O)=C1 ZINC000150344751 KK Annotated Reactive in-vitro biogenic O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000150344765 KK Annotated Anodyne COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C6C(=C[C+]5N=C4)CC[C@@H]6CCO)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344769 KK Annotated Mild in-vitro biogenic C[n+]1cc(Br)cc2sc(/C=C3/C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN4C=C/C(=C/c5nc6c(cc(Br)c[n+]6C)s5)c5ccccc54)c4ccccc43)nc21 ZINC000150344772 KK Annotated Bother in-vitro COCCCCNCC1=CC2=C([C@H]3/C=C/c4c(OC)c5c6c7c(c8c(O)c6c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc6c3CN(CC8=O)C6=O)[C@]4(O)CO)[C@H]3CCC[C@H]3C=C7CC5)C=N[C+]2C=C1 ZINC000150344776 KK Annotated Mild in-vitro biogenic COCCCCNCC1=CC2=C([C@H]3/C=C/c4c(OC)c5c6c7c(c8c(O)c6c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc6c3CN(CC8=O)C6=O)[C@]4(O)CO)[C@@H]3CCC[C@@H]3C[C@H]7CC5)C=N[C+]2C=C1 ZINC000150344777 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CCC6(O)CCCC6)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344781 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CCC6(O)CCCCC6)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344784 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CNC6CCCCC6)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344788 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CNC6CCCC6)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344793 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CCCO)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344797 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CC[C@@H]6C[C@H]1CCC[C@@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CNC6CCCCC6)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344799 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CC[C@@H]6C[C@H]1CCC[C@@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=C(CNC6CCCC6)C=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344802 KK Annotated Mild in-vitro biogenic COCCCCNCC1=CC2=C([C@H]3/C=C/c4c(OC)cc5c6c(c7c(O)c5c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc5c3CN(CC7=O)C5=O)[C@]4(O)CO)[C@H]3CCC[C@@H]3C=C6)C=N[C+]2C=C1 ZINC000150344806 KK Annotated Mild in-vitro biogenic COCCCCNCC1=CC2=C([C@H]3/C=C/c4c(OC)cc5c6c(c7c(O)c5c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OC#CCc3cccc5c3CN(CC7=O)C5=O)[C@]4(O)CO)[C@@H]3CCC[C@@H]3CC6)C=N[C+]2C=C1 ZINC000150344809 KK Annotated Mild in-vitro biogenic COc1c2c3c4c(O)c(c5c6c4c1CCC6=C[C@@H]1CCC[C@H]51)C(=O)CN1Cc4c(cccc4C1=O)CC#CO[C@H]1[C@H](O)[C@@H](CO[C@@H](C4=C5C=CC=C[C+]5N=C4)/C=C/2)O[C@H](O3)[C@@]1(O)CO ZINC000150344812 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=C(CNC6CCCCC6)C=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@@H]1CCC[C@@H]1C=C3 ZINC000150344828 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=C(CNC6CCCCC6)C=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@@H]1CCC[C@@H]1CC3 ZINC000150344832 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=C(CNC6CCCC6)C=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@@H]1CCC[C@@H]1C=C3 ZINC000150344833 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=C(CNC6CCCC6)C=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@H]1CCC[C@@H]1CC3 ZINC000150344835 KK Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C=C(CNC5CCCCC5)C=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000150344863 KK Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C=C(CNC5CCCC5)C=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000150344865 KK Annotated Mild in-vitro biogenic CNCc1cccc2c1CN(CC(=O)c1c(C3CCCC3)cc3cc(OC)c4c(c3c1O)O[C@H]1O[C@H](CO[C@@H](C3=C5C=C(CNC6CCCCC6)C=C[C+]5N=C3)/C=C/4)[C@@H](O)[C@H](O)[C@]1(O)CO)C2=O ZINC000150344875 KK Annotated Mild in-vitro biogenic CNCC1=CC2=C([C@H]3/C=C/c4c(OC)cc5cc(C6CCCC6)c(C(=O)CN6Cc7ccccc7C6=O)c(O)c5c4O[C@H]4O[C@H](CO3)[C@@H](O)[C@H](OCc3cccc(O)c3)[C@]4(O)CO)C=N[C+]2C=C1 ZINC000150344883 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c(C(=O)CN4Cc5ccccc5C4=O)c(O)c2c2c1/C=C/[C@H](C1=C4C=CC=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OCc2cccc(O)c2)[C@@H]1O)[C@@H]1CCC[C@@H]1C=C3 ZINC000150344893 KK Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c(C(=O)CN3Cc4ccccc4C3=O)c(O)c2c2c1/C=C/[C@H](C1=C3C=C(CNC4CCCCC4)C=C[C+]3N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](O)[C@@H]1O ZINC000150344899 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=CC=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@H](O)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@H]1CCC[C@@H]1CC3 ZINC000150344911 KK Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C=C(CCCO)C=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@H](O)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000150344912 KK Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c(C(=O)CN3Cc4ccccc4C3=O)c(O)c2c2c1/C=C/[C@H](C1=C3C=CC=C[C+]3N=C1)OC[C@H]1O[C@H](O2)[C@@](O)(CO)[C@@H](OCc2cccc(O)c2)[C@@H]1O ZINC000150344917 KK Annotated Mild in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C=CC=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@H](O)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000150344922 KK Annotated Mild in-vitro biogenic COc1cc(O[C@H]2O[C@H](COCC3=C4C=CC=C[C+]4N=C3)[C@@H](O)[C@H](OCc3cccc(O)c3)[C@]2(O)CO)c2c(O)c(C(=O)CN3Cc4ccccc4C3=O)c(C3CCCC3)cc2c1 ZINC000150344935 KK Annotated Mild in-vitro biogenic CCN[C@H]1C=C2C=CC[C@H]3CCCC[C@@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C4([C@@]6(c7ccnc8c7CC[C@H](NC)N8)CCCN=C(NC)N6)CCCC4)C5=O)C(=O)OC[C@@H]1C[C@@H]23 ZINC000150344993 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C[C@]4(c6ccnc7c6CC[C@@H](NC)N7)CCCN=C(NC)N4)C5=O)C(=O)OC[C@@H]1C[C@H]23 ZINC000150344999 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc6c4CC[C@H](NC)N6)C5=O)C(=O)O[C@H](CCCO)[C@H]1C[C@H]23 ZINC000150345008 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C[C@]4(c6ccnc(NCNC)c6)CCCN=C(NC)N4)C5=O)C(=O)O[C@H](CCCO)[C@H]1C[C@H]23 ZINC000150345015 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C4([C@@]6(c7ccnc(NCNC)c7)CCCN=C(NC)N6)CCCC4)C5=O)C(=O)OC[C@@H]1C[C@H]23 ZINC000150345020 KK Annotated Clean in-vitro biogenic CN[C@H]1CCc2c(CC/C(C)=C(\CO)C[C@@]34O[C@@]35C(=O)O[C@H](CCCO)[C@H]3C[C@@H]6C(=C[C@H]3NCC3CCCCC3)C=CC[C@@H]6CCCC[C@](C)(Cc3ccc(N)nc3)Cc3cccc(c3C5=O)C4=O)ccnc2N1 ZINC000150345024 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc6c4CC[C@H](NC)N6)C5=O)C(=O)OC[C@@H]1C[C@H]23 ZINC000150345028 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C[C@]4(c6ccnc(NCNC)c6)CCCN=C(NC)N4)C5=O)C(=O)OC[C@@H]1C[C@H]23 ZINC000150345030 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CC4(c6ccnc(NCNC)c6)CCCCC4)C5=O)C(=O)OC[C@@H]1C[C@H]23 ZINC000150345032 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc6c4CC[C@@H](NC)N6)C5=O)C(=O)OC[C@H]1C[C@H]32 ZINC000150345034 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C[C@H]2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CC4(c6ccnc(NCNC)c6)CCCCC4)C5=O)C(=O)OC[C@H]1C[C@H]32 ZINC000150345036 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc(NCNC)c4)C5=O)C(=O)O[C@H](CCCO)[C@H]1C[C@H]23 ZINC000150345039 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CC[C@H]3CCCC[C@@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C4([C@@H](NC(=N)NC)c6ccnc(NCNC)c6)CCCC4)C5=O)C(=O)OC[C@@H]1C[C@@H]23 ZINC000150345042 KK Annotated Clean in-vitro biogenic CN[C@@H]1CCc2c(CC/C(C)=C(\CO)C[C@@]34O[C@@]35C(=O)OC[C@@H]3C[C@@H]6C(=C[C@H]3NCC3CCCCC3)C=CC[C@@H]6CCCC[C@](C)(Cc3ccc(N)nc3)Cc3cccc(c3C5=O)C4=O)ccnc2N1 ZINC000150345045 KK Annotated Clean in-vitro biogenic CNCNc1cc([C@@]2(C/C(C)=C/C[C@@]34O[C@@]35C(=O)OC[C@@H]3C[C@H]6C(=C[C@H]3NCC3CCCCC3)C=CC[C@@H]6CCCC[C@@](C)(Cc3ccc(N)nc3)Cc3cccc(c3C5=O)C4=O)CCCN=C(NC)N2)ccn1 ZINC000150345049 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc(NCNC)c4)C5=O)C(=O)O[C@@H](CCCO)[C@H]1C[C@H]32 ZINC000150345053 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CC[C@@H]3[C@H]4C=C[C@H]([C@@H]1COC(=O)[C@]15O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(c1C5=O)C[C@](C)(Cc1ccc(N)nc1)CCC4)[C@@H]23 ZINC000150345056 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@H]3CCCC[C@@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C[C@@H](NC(=N)NC)c4ccnc(NCNC)c4)C5=O)C(=O)OC[C@@H]1C[C@@H]23 ZINC000150345057 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3[C@H]4CCC[C@](C)(Cc5ccc(N)nc5)Cc5cccc6c5C(=O)[C@]5(O[C@@]5(C/C(CO)=C(\C)CCc5ccnc(NCNC)c5)C6=O)C(=O)OC[C@H]1[C@@H](CC4)[C@H]23 ZINC000150345058 KK Annotated Clean in-vitro biogenic CNCNc1cc([C@H](C/C(C)=C/C[C@@]23O[C@@]24C(=O)OC[C@@H]2C[C@@H]5C(=C[C@H]2NCC2CCCCC2)C=CC[C@@H]5CCCC[C@](C)(Cc2ccc(N)nc2)Cc2cccc(c2C4=O)C3=O)NC(=N)NC)ccn1 ZINC000150345062 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc3c1CC[C@H](NC)N3)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345063 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@]1(c3ccnc(NCNC)c3)CCCN=C(NC)N1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345066 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(NCNC)c3)CCCCC1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345067 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345069 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345070 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(NCNC)c3)CCCCC1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345071 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=N)NC)c3ccnc(NCNC)c3)CCCC1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345072 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@@H]2C[C@@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000150345073 KK Annotated Clean in-vitro biogenic CNCNc1cc([C@H](C/C(C)=C/C[C@@]23O[C@]2(C(=O)OC[C@@H]2C[C@@H]4CCC=CC4=C[C@@H]2NCC2CCCCC2)C(=O)c2c(CC(C)(C)Cc4ccc(N)nc4)cccc2C3=O)NC(=N)NC)ccn1 ZINC000150345074 KK Annotated Clean in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c5cc(c6cc(O)ccc46)OCC#C[C@@H]4CNCN[C@@]46CC[C@H](O)C[C@H]6O[C@@H]52)[C@@H]3O)cc1O ZINC000150345101 KK Annotated Mild in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c5cc(c6cc(O)ccc46)OCC#C[C@@H]4CNCN[C@@]46CC[C@H](CO)[C@@H]6O[C@@H]52)[C@@H]3O)cc1O ZINC000150345103 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@@H]2CNCN[C@@]24CC[C@H](O)C[C@H]4O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345104 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@@H]2CNC4(CCCC4)N[C@H]2[C@H](CCO)O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345105 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@@H]2CNCN[C@@]24CC[C@@H](CO)[C@@H]4O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345106 KK Annotated Mild in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4c5cc(c6cc(O)ccc46)OCC#C[C@@H]4CNCN[C@@H]4[C@@H](CCO)O[C@@H]52)[C@@H]3O)cc1O ZINC000150345108 KK Annotated Mild in-vitro biogenic COCCC[C@@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@@H]2CNCN[C@@H]2[C@H](CCO)O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345109 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@H]2[C@H](NCNC24CCCCC4)[C@H](CCO)O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345110 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#CC[C@@]2(NCO)CC[C@H](O)C[C@@H]2O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345111 KK Annotated Mild in-vitro biogenic COCCC[C@@H]1Oc2c3cc(c4cc(O)ccc24)OCC#CC[C@H](NC2(O)CCCC2)[C@H](CCO)O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345114 KK Annotated Mild in-vitro biogenic COCCC[C@@H]1Oc2c3cc(c4cc(O)ccc24)OCC#CC[C@@]2(NCO)CC[C@H](CO)[C@@H]2O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345116 KK Annotated Mild in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4c5cc(c6cc(O)ccc46)OCC#CC[C@@]4(NC)CC[C@@H](O)C[C@@H]4O[C@@H]52)[C@@H]3O)cc1O ZINC000150345118 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@H]2CCCN[C@@]24CC[C@@H](O)C[C@H]4O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345119 KK Annotated Mild in-vitro biogenic COCCC[C@@H]1Oc2c3cc(c4cc(O)ccc24)OCC#CC[C@@]24NCCC[C@H]2C[C@H](O)C[C@H]4O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345121 KK Annotated Mild in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c5cc(c6cc(O)ccc46)OCC#CC[C@H](NCO)[C@@H](CCO)O[C@@H]52)[C@@H]3O)cc1O ZINC000150345122 KK Annotated Mild in-vitro biogenic CN[C@@]12CC#CCOc3cc4c(c5ccc(O)cc35)O[C@H](CCCOC)[C@@H]([C@H]3COc5c(Cc6cc(O)ccc6-c6cccc(O)c6)cc(OC6CCCC6)cc5[C@H]3O)[C@H]4O[C@@H]1[C@H]1C=C[C@@H]2C[C@H]1O ZINC000150345124 KK Annotated Mild in-vitro biogenic CN[C@@]12CC#CCOc3cc4c(c5ccc(O)cc35)O[C@H](CCCOC)[C@@H]([C@H]3COc5c(Cc6cc(O)ccc6-c6cccc(O)c6)cc(OC6CCCC6)cc5[C@H]3O)[C@H]4O[C@H]1C[C@@H](O)CC2 ZINC000150345125 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c3cc(c4cc(O)ccc24)OCC#CC[C@H](NCO)[C@H](CCO)O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345126 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O[C@@H]2C[C@H](O)CC[C@H]2NCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345127 KK Annotated Anodyne in-vitro biogenic CNCCN[C@@]12CC#CCOc3cc4c(c5ccc(O)cc35)O[C@@H](CCCOC)[C@@H]([C@H]3COc5c(Cc6cc(O)ccc6-c6cccc(O)c6)cc(OC6CCCC6)cc5[C@H]3O)[C@H]4O[C@H]1C[C@H](O)CC2 ZINC000150345128 KK Annotated Mild in-vitro biogenic CN[C@]12CC#CCOc3cc4c(c5ccc(O)cc35)O[C@@H](CCCOC)[C@@H]([C@H]3COc5c(Cc6cc(O)ccc6-c6cccc(O)c6)cc(OC6CCCC6)cc5[C@H]3O)[C@H]4O[C@@H]1[C@@H](CO)CC2 ZINC000150345129 KK Annotated Mild in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2O[C@@H]2C[C@H](O)CC[C@H]2NC)[C@@H]3O)cc1O ZINC000150345131 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c5cc(c6cc(O)ccc46)OCC#CC[C@H](NC)[C@H](CCO)O[C@@H]52)[C@@H]3O)cc1O ZINC000150345132 KK Annotated Mild in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O[C@@H]2C[C@@H](O)C[C@H]3CCCN[C@H]32)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345133 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O[C@H](CCO)CNC2(O)CCCC2)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345135 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2c3cc(c4cc(O)ccc24)OCC#C[C@@H]2C=CCN[C@H]2[C@@H](CCO)O[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345138 KK Annotated Mild in-vitro biogenic CN[C@@H]1[C@H]2C=C[C@H]([C@H](O)C2)[C@H]1O[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345140 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1CC[C@@H](O)C[C@H]1O[C@H]1c2c3c(c4cc(O)ccc4c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc2[C@H]1O)OCCC3 ZINC000150345141 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1CC[C@@H](O)C[C@H]1O[C@H]1c2cc(OC3CCCC3)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345143 KK Annotated Anodyne in-vitro biogenic CN[C@H]1CC#CCOc2cc3c(c4ccc(O)cc24)O[C@@H](CCCOC)[C@@H]([C@H]2COc4c(Cc5cc(O)ccc5-c5cccc(O)c5)cc(OC5CCCC5)cc4[C@H]2O)[C@H]3O[C@H]1CCO ZINC000150345144 KK Annotated Mild in-vitro biogenic CN[C@H]1CC[C@H](O)C[C@H]1O[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345146 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1CC[C@@H](O)C[C@H]1O[C@H]1c2cc(OC3CCCCC3)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345148 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2O[C@H](CCO)CNCO)[C@@H]3O)cc1O ZINC000150345150 KK Annotated Anodyne in-vitro biogenic CNCCN[C@H]1CC[C@H](O)C[C@H]1O[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345153 KK Annotated Anodyne in-vitro biogenic CNCCN[C@H]1CC#CCOc2cc3c(c4ccc(O)cc24)O[C@H](CCCOC)[C@@H]([C@H]2COc4c(Cc5cc(O)ccc5-c5cccc(O)c5)cc(OC5CCCC5)cc4[C@H]2O)[C@H]3O[C@@H]1CCO ZINC000150345154 KK Annotated Mild in-vitro biogenic CN[C@H]1CC[C@H](O)C[C@H]1O[C@H]1c2cc(OCCCCO)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345156 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O[C@H](CCO)CNCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345158 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(c3c(c4cc(O)ccc24)OCCC3)[C@H](O[C@H](CCO)CNCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345160 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC3CCCCC3)c3cc(O)ccc23)[C@H](O[C@H](CCO)CNCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345161 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2O[C@H](CCO)CNC)[C@@H]3O)cc1O ZINC000150345163 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(c5c(c6cc(O)ccc46)OCCC5)[C@@H]2OCCCO)[C@@H]3O)cc1O ZINC000150345166 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC5CCCC5)c5cc(O)ccc45)[C@@H]2OCCCO)[C@@H]3O)cc1O ZINC000150345170 KK Annotated Anodyne in-vitro biogenic CNC[C@H](CCO)O[C@H]1c2c3c(c4cc(O)ccc4c2O[C@@H](CCCOC)[C@H]1[C@H]1COc2c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc2[C@H]1O)OCCC3 ZINC000150345173 KK Annotated Anodyne in-vitro biogenic CNC[C@H](CCO)O[C@H]1c2cc(OC3CCCC3)c3cc(O)ccc3c2O[C@@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345178 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC5CCCCC5)c5cc(O)ccc45)[C@@H]2OCCCO)[C@@H]3O)cc1O ZINC000150345179 KK Annotated Anodyne in-vitro biogenic CNC[C@H](CCO)O[C@H]1c2cc(OC3CCCCC3)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345182 KK Annotated Anodyne in-vitro biogenic CNCCNC[C@H](CCO)O[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345190 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC3CCCC3)c3cc(O)ccc23)[C@H](OCCCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345192 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC3CCCCC3)c3cc(O)ccc23)[C@H](OCCCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345195 KK Annotated Anodyne in-vitro biogenic CNC[C@H](CCO)O[C@H]1c2cc(OCCCCO)c3cc(O)ccc3c2O[C@@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000150345196 KK Annotated Anodyne in-vitro biogenic COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)c4ccccc4)cc3N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)C2=O)cc(OC)c1OC ZINC000150345238 KK Annotated Clean O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)N=C2c2ccccc2)c(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)N=C2c2ccccc2)c1 ZINC000150345266 KK Annotated Clean OS(O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(O)(O)O)cc3)c3ccc([nH]3)c(-c3ccc(S(O)(O)O)cc3)c3ccc(n3)c(-c3ccc(S(O)(O)O)cc3)c3ccc2[nH]3)cc1 ZINC000150345453 KK Annotated Bother in-vitro CCC1=[N+]2C=C3N=C(C=C31)CCC[C@H]1CCC[C@]3(C1)C(=O)NC[C@@H]3[C@H]1C=CC[C@]3(C1)Oc1c(cc4c(=O)cc(C)oc4c12)C[C@H]3OOC[C@@](O)(Cc1ccc(O)c2ccc(O)cc12)[C@@H](O)[C@H](O)[C@H](O)CO ZINC000150345530 KK Annotated Reactive in-vitro biogenic CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@]2(CC=C4CC[C@H]5CCCC[C@]56C(=O)NC[C@H]6[C@H]4C2)O3)C=C2N=CC=C21 ZINC000150345532 KK Annotated Reactive in-vitro biogenic CN1/C(=C\CC2=C(NCCCCCCNC(=O)CCc3ccc(S(N)(=O)=O)cc3)/C(=C\C=C3\N(C)c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21 ZINC000150345602 KK Annotated Anodyne CNC[C@H]1C[C@@H]2C=C[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@H]13 ZINC000150345609 KK Annotated Reactive in-vitro biogenic CNC[C@H]1C[C@@H]2C=C[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@]24C(=O)O[C@H]13 ZINC000150345613 KK Annotated Reactive in-vitro biogenic CNC[C@H]1C[C@H]2CC[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@H]13 ZINC000150345614 KK Annotated Reactive in-vitro biogenic CNC[C@H]1C[C@H]2CC[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@]24C(=O)O[C@H]13 ZINC000150345615 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@]23O[C@@H]2CCc2cc(N)nc(c2)-c2cc(C[N+]4=CC5=CC=NC5=C4)nc(N)c2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@H](C1)[C@H]2OC3=O ZINC000150345616 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@]23O[C@@H]2CCc2cc(N)nc(c2)-c2cc(C[N+]4=CC5=CC=NC5=C4)nc(N)c2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@H](C1)[C@H]2OC3=O ZINC000150345617 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@H]3[C@H]1C=C[C@H]4[C@H](O)C1 ZINC000150345618 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@@H]3[C@@H]1CC[C@@H]4[C@@H](O)C1 ZINC000150345620 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@@H]1[C@@H]3[C@@H]1CC[C@@H]4[C@@H](O)C1 ZINC000150345621 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C[C@@H](O)CC[C@H]3[C@H]1OC4=O ZINC000150345623 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C[C@@H](O)CC[C@H]3[C@H]1OC4=O ZINC000150345625 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@H]3[C@H]1C=C[C@@H]4CC1 ZINC000150345635 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@@H]1[C@H]3[C@H]1C=C[C@@H]4CC1 ZINC000150345636 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@H]3C1CCC4CC1 ZINC000150345638 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@@H]1[C@H]3C1CCC4CC1 ZINC000150345640 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@]2(O[C@@H]2CCc2cc(N)nc3c2CCCc2c-3cc(C[N+]3=CC4=CC=NC4=C3)nc2N)C(=O)O[C@@H]2[C@H](C1)c1c(cc3oc(C)cc(=O)c3c1O)OC2(C)C ZINC000150345645 KK Annotated Anodyne in-vitro biogenic O=C1N/C=C/c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O ZINC000150345650 KK Annotated Mild in-vivo Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O ZINC000150345652 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCCC[C@H]3[C@H]1OC4=O ZINC000150345653 KK Annotated Reactive in-vitro biogenic CNCC[C@@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS[C@H]1C=C[C@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@@]3(C)C1)OC2=O ZINC000150345655 KK Annotated Reactive in-vitro biogenic CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS[C@H]1C=C[C@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@@]3(C)C1)OC2=O ZINC000150345656 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 ZINC000150345657 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000150345662 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O ZINC000150345667 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCCC[C@H]3[C@H]1OC4=O ZINC000150345669 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 ZINC000150345672 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O ZINC000150345674 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1 ZINC000150345675 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 ZINC000150345676 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 ZINC000150345678 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@H]31)O[C@@H]2CC1(c2cc(N)nc(-c3ccnc(N)c3)c2)CCCC1 ZINC000150345687 KK Annotated Anodyne in-vitro biogenic CC(C)C[C@@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000150345711 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000150345715 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000150345716 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000150345719 KK Annotated Anodyne O=C1N/C=C/c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N\O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000150345727 KK Annotated Mild C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345863 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345868 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@H]34 ZINC000150345869 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345870 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345880 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345881 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCCO)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345886 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 ZINC000150345894 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 ZINC000150345896 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 ZINC000150345897 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 ZINC000150345898 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 ZINC000150345900 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]34 ZINC000150345902 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@]4(CC)CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 ZINC000150345911 KK Annotated Reactive in-vitro biogenic O=C1C(I)=CC2=C(c3ccccc3C(=O)O)[C@H]3C=C(I)C(O)=C(I)[C@@H]3OC2=C1I ZINC000150345925 KK Annotated Mild in-vitro O=C1C(I)=CC2=C(c3ccccc3C(=O)O)[C@H]3C=C(I)C(O)=C(I)[C@H]3OC2=C1I ZINC000150345927 KK Annotated Mild in-vitro CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(-c4ccccc4)c(-c4cc(O)cc(O)c4Cc4ccc(C(C)C)cc4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346049 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCC[C@@H]2CC[C@H](c3[cH-]cc(-c4cc(O)cc(O)c4Cc4ccc(C(C)C)cc4CC(C)C)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@@H](O)[C@H]2C(=O)O)[C@@H](O)C1 ZINC000150346176 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(-c4ccccc4)c(-c4cc(O)cc(O)c4Cc4ccccc4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346304 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(CC)c(-c4cc(O)cc(O)c4Cc4ccc(C(C)C)cc4)n3)[C@@H]3C[C@H](C4(c5ccnc(N)c5)CCCC4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346337 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]cc(-c4cc(O)cc(O)c4Cc4ccc(C(C)C)cc4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346342 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(CC)c(-c4cc(O)cc(O)c4Cc4ccc(C(C)C)cc4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346345 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3Cc3ccc(C(C)C)cc3)n2)[C@H](O)C1 ZINC000150346349 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@H](O)C1 ZINC000150346352 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]cc(-c4cc(O)cc(O)c4Cc4ccccc4CC(C)C)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346354 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]c(-c5ccccc5)c(-c5cc(O)cc(O)c5Cc5ccccc5)n4)[C@]3(O)C2)[C@H](O)C1 ZINC000150346355 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]c(-c5ccccc5)c(-c5cc(O)cc(O)c5Cc5ccccc5)n4)[C@@]3(O)C2)[C@H](O)C1 ZINC000150346356 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@H](O)C1 ZINC000150346357 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@@H](C)N5)C[C@@H]2[C@]1(C)O3)[C@@]1(O)CCC2(CCNCC2)C1 ZINC000150346358 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4c(cnc5c4C=C[C@@H](C)N5)C[C@@H]2[C@]1(C)O3)[C@@]1(O)CCC2(CCNCC2)C1 ZINC000150346362 KK Annotated Anodyne in-vitro biogenic CCNc1cc2c(cn1)C[C@H]1[C@H](CC2)[C@@H]2CCc3ccc(O)cc3[C@@H](CO)[C@H](c3ccnc(N)c32)c2c3c(c(O)c4c(=O)cc(CO)oc24)C[C@@H](OC(=O)C2=C(C)CC[C@@H]4CC5(CCNCC5)C[C@]24O)[C@@]1(C)O3 ZINC000150346364 KK Annotated Anodyne in-vitro biogenic CC1=C(C(=O)O[C@@H]2Cc3c4c(c5oc(CO)cc(=O)c5c3O)[C@H]3c5ccnc(N)c5[C@@H](CCc5ccc(O)cc5[C@@H]3CO)[C@@H]3CCc5c(cnc6c5CC[C@@H](C)N6)C[C@@H]3[C@]2(C)O4)[C@]2(O)CCC[C@@H]2CC1 ZINC000150346367 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3)[C@]1(O)CCC2(CCNCC2)C1 ZINC000150346368 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H]([C@@H]4CCc5c(cnc6c5CC[C@H](C)N6)C[C@@H]4[C@]1(C)O3)C1(CCCC1)Cc1ccc(O)cc1[C@@H]2CO)C1(O)CCCC1 ZINC000150346369 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@H](C)N5)C[C@@H]2[C@]1(C)O3)C1(O)CCCC1 ZINC000150346370 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4c(cnc5c4C=C[C@@H](C)N5)C[C@@H]2[C@]1(C)O3)C1(O)CCCC1 ZINC000150346371 KK Annotated Anodyne in-vitro biogenic CCNc1cc2c(cn1)C[C@H]1[C@H](CC2)[C@@H]2CCc3ccc(O)cc3[C@@H](CO)[C@H](c3ccnc(N)c32)c2c3c(c(O)c4c(=O)cc(CO)oc24)C[C@@H](OC(=O)C2=C(C)CC[C@H]4CCC[C@@]24O)[C@@]1(C)O3 ZINC000150346373 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@H]([C@H]4CCc5cc(NCC)ncc5C[C@@H]4[C@]1(C)O3)C1(CCCC1)Cc1ccc(O)cc1[C@@H]2CO)C1(O)CCCC1 ZINC000150346374 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@@H](C)N5)C[C@@H]2[C@]1(C)O3 ZINC000150346375 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4c(cnc5c4C=C[C@@H](C)N5)C[C@@H]2[C@]1(C)O3 ZINC000150346377 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3)C1(O)CCCC1 ZINC000150346380 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(CC)c(-c4cc(O)cc(O)c4Cc4ccccc4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346382 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2cnc4c(c2)CC[C@H](C)N4)[C@]1(C)O3)C1(O)CCCC1 ZINC000150346384 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@@H](C)N5)C[C@@H]2[C@]1(C)O3 ZINC000150346387 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@@H](C)N5)C[C@@H]2[C@]1(C)O3 ZINC000150346388 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4c(cnc5c4C=C[C@@H](C)N5)C[C@@H]2[C@]1(C)O3 ZINC000150346390 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@@H](C)N5)C[C@@H]2[C@]1(C)O3)C1CCCC1 ZINC000150346391 KK Annotated Anodyne in-vitro biogenic C=C1N(Cc2cccc3ccccc23)C(=O)N2C(C(=O)NCc3ccc(CN)cc3)=CC=C(C3CCN(C(=O)CCCNC(=O)Cc4ccc(N)cc4)CC3)N12 ZINC000150346392 KK Annotated Clean in-vivo C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@@H]2CO)[C@@H]2CCc4c(cnc5c4CC[C@@H](C)N5)C[C@@H]2[C@]1(C)O3 ZINC000150346393 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3)C1(O)CCCC1 ZINC000150346394 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]cc(-c4cc(O)cc(O)c4Cc4ccccc4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000150346395 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3)C1(O)CCCC1 ZINC000150346396 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3 ZINC000150346402 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3 ZINC000150346412 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3)C1CCCC1 ZINC000150346414 KK Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3 ZINC000150346418 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@H](O)C1 ZINC000150346425 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3 ZINC000150346429 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000150346432 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3)C1CCCC1 ZINC000150346437 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@H](Cc4ccc(NCC)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000150346440 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3)C1CCCC1 ZINC000150346443 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@@H](Cc4cnc5c(c4)CC[C@H](C)N5)[C@]1(C)O3)c1c2ccnc1N ZINC000150346446 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@H](Cc4ccc(N)nc4)[C@]1(C)O3)c1c2ccnc1N)C1(O)CCCC1 ZINC000150346454 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@@H](Cc4ccc(NCC)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000150346456 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@H](Cc4ccc(NCC)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000150346459 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@H](Cc4ccc(NCC)nc4)[C@]1(C)O3)c1c2ccnc1N)C1CCCC1 ZINC000150346468 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@](CO)(c2cccc(O)c2)C#CC[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000150346474 KK Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]([C@H](CO)c2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000150346476 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@H](Cc4ccc(N)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000150346482 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]cc(-c5cc(O)cc(O)c5Cc5ccccc5)n4)[C@]3(O)C2)[C@H](O)C1 ZINC000150346486 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@@H](Cc4ccc(N)nc4)[C@]1(C)O3)c1c2ccnc1N)C1CCCC1 ZINC000150346496 KK Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](C[C@H](Cc4ccc(N)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000150346499 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@H](c2cccc(O)c2)C#CC[C@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000150346501 KK Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](Cc2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000150346502 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](Cc2cccc(O)c2)c2ccnc(N)c2C[C@H]2CCc4cc(N)ncc4C[C@H]2[C@]1(C)O3 ZINC000150346506 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3Cc3ccccc3CC(C)C)n2)[C@H](O)C1 ZINC000150346510 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]cc(-c5cc(O)cc(O)c5Cc5ccccc5)n4)[C@@]3(O)C2)[C@H](O)C1 ZINC000150346521 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2ccnc(N)c2C2=CCC4=C2[C@H](Cc2cnc(NCC)cc2C4)[C@]1(C)O3 ZINC000150346525 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@@H](O)C1 ZINC000150346530 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6C[C@@H]6[C@@H](O)C[C@H]7c8cc(O)c(OC)cc8C[C@H]([C@H](OC(C)=O)C4)[C@]7(/C=C/c4ccccc4)[C@@H]56)cc23)c1 ZINC000150346611 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6C[C@@H]6[C@@H](O)C[C@H]7c8cc(O)c(OC)cc8C[C@H]([C@H](OC(C)=O)C4)[C@]7(c4ccc7ccccc7c4)[C@@H]56)cc23)c1 ZINC000150346614 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6C[C@H]6[C@H]5[C@]5(C7=Cc8ccccc8CC7)[C@H](C[C@H]6O)c6cc(O)c(OC)cc6C[C@@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346616 KK Annotated Anodyne in-vitro biogenic CCOCCCNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6CC[C@H]5[C@@]5(/C=C/c6ccccc6)[C@H](CO)c6cc(O)c(OC)cc6C[C@@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346619 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7ccccc7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000150346621 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)C5(c6ccc7cc(O)cc(-c8ccccc8)c7c6)CCCC5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000150346622 KK Annotated Anodyne in-vitro biogenic CCOCCCNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6C[C@H]6CC[C@H]7c8cc(O)c(OC)cc8C[C@H]([C@H](OC(C)=O)C4)[C@]7(/C=C/c4ccccc4)[C@@H]56)cc23)c1 ZINC000150346623 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7ccccc7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(c1ccc2ccccc2c1)[C@@H]43 ZINC000150346624 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)C5(c6ccc7cc(O)cc(-c8ccccc8)c7c6)CCCC5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(c1ccc2ccccc2c1)[C@@H]43 ZINC000150346627 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7ccccc7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(C1=Cc2ccccc2CC1)[C@@H]43 ZINC000150346629 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)C5(c6ccc7cc(O)cc(-c8ccccc8)c7c6)CCCC5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(C1=Cc2ccccc2CC1)[C@@H]43 ZINC000150346631 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1C[C@H](O)[C@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7cccc(CCCO)c7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000150346633 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@@H]5C[C@@H](OC(C)=O)[C@H]6Cc7cc(OC)c(O)cc7[C@@H](CO)[C@@]6(/C=C/c6ccccc6)[C@H]6CCc7cc(O)c(OC)cc7[C@@H]6C5)CCCCC4)cc23)c1 ZINC000150346634 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@H]5C[C@@H]6c7cc(OC)c(O)cc7C[C@H]7CC[C@H]8c9cc(O)c(OC)cc9C[C@H]([C@H](OC(C)=O)C5)[C@]8(/C=C/c5ccccc5)[C@@H]67)CCCCC4)cc23)c1 ZINC000150346636 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6CC[C@H]5[C@@]5(/C=C/c6ccccc6)[C@H](CO)c6cc(O)c(OC)cc6C[C@@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346638 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@@H]5C[C@@H](OC(C)=O)[C@H]6Cc7cc(OC)c(O)cc7[C@@H](CO)[C@@]6(/C=C/c6ccccc6)[C@H]6CCc7cc(O)c(OC)cc7[C@@H]6C5)CCCC4)cc23)c1 ZINC000150346640 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6CC[C@H]5[C@@]5(c6ccc7ccccc7c6)[C@H](CO)c6cc(O)c(OC)cc6C[C@@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346642 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@@H]4C[C@@H](OC(C)=O)[C@H]5Cc6cc(OC)c(O)cc6[C@H](CO)[C@@]5(C5=Cc6ccccc6CC5)[C@H]5CCc6cc(O)c(OC)cc6[C@@H]5C4)cc23)c1 ZINC000150346645 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6C[C@H]6CC[C@H]7c8cc(O)c(OC)cc8C[C@H]([C@H](OC(C)=O)C4)[C@]7(/C=C/c4ccccc4)[C@@H]56)cc23)c1 ZINC000150346647 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@H]5C[C@@H]6c7cc(OC)c(O)cc7C[C@H]7CC[C@H]8c9cc(O)c(OC)cc9C[C@H]([C@H](OC(C)=O)C5)[C@]8(/C=C/c5ccccc5)[C@@H]67)CCCC4)cc23)c1 ZINC000150346648 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@@H]4C[C@@H](OC(C)=O)[C@H]5Cc6cc(OC)c(O)cc6[C@H]6CC[C@@H]7Cc8cc(O)c(OC)cc8[C@H](C4)[C@H]7[C@@]65c4ccc5ccccc5c4)cc23)c1 ZINC000150346649 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@@H]4C[C@@H](OC(C)=O)[C@H]5Cc6cc(OC)c(O)cc6[C@H]6CC[C@@H]7Cc8cc(O)c(OC)cc8[C@H](C4)[C@H]7[C@@]65C4=Cc5ccccc5CC4)cc23)c1 ZINC000150346650 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H]5c6cc(OC)c(O)cc6C[C@@H](CCCO)[C@H]5[C@@]5(/C=C/c6ccccc6)Cc6cc(O)c(OC)cc6C[C@@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346652 KK Annotated Anodyne in-vitro biogenic CCOCCCNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@@H]4C[C@@H](OC(C)=O)[C@H]5Cc6cc(OC)c(O)cc6C[C@]5(/C=C/c5ccccc5)[C@H]5CCc6cc(O)c(OC)cc6[C@@H]5C4)cc23)c1 ZINC000150346657 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H](CO)[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)C2(c3ccc4cc(O)cc(-c5ccccc5)c4c3)CCCC2)C[C@@H]2c3cc(OC)c(O)cc3CC[C@H]21 ZINC000150346660 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H](CO)[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4ccccc4)c3c2)C[C@@H]2c3cc(OC)c(O)cc3CC[C@H]21 ZINC000150346663 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H](CO)[C@]1(c3ccc4ccccc4c3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4ccccc4)c3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000150346666 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@H](CO)[C@]1(C3=Cc4ccccc4CC3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4ccccc4)c3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000150346669 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7ccccc7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000150346671 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)C5(c6ccc7cc(O)cc(-c8ccccc8)c7c6)CCCC5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000150346672 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7ccccc7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(c1ccc2ccccc2c1)[C@@H]43 ZINC000150346674 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7ccccc7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(C1=Cc2ccccc2CC1)[C@@H]43 ZINC000150346676 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@H](CO)[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4cccc(CCCO)c4)c3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@H]21 ZINC000150346680 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@@H]5C[C@@H](OC(C)=O)[C@H]6Cc7cc(OC)c(O)cc7C[C@]6(/C=C/c6ccccc6)[C@H]6CCc7cc(O)c(OC)cc7[C@@H]6C5)CCCCC4)cc23)c1 ZINC000150346681 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)cc(-c7cccc(CCCO)c7)c6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000150346682 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@@H]5C[C@@H](OC(C)=O)[C@H]6Cc7cc(OC)c(O)cc7C[C@]6(/C=C/c6ccccc6)[C@H]6CCc7cc(O)c(OC)cc7[C@@H]6C5)CCCC4)cc23)c1 ZINC000150346683 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@@H]4C[C@@H](OC(C)=O)[C@H]5Cc6cc(OC)c(O)cc6C[C@]5(/C=C/c5ccccc5)[C@H]5CCc6cc(O)c(OC)cc6[C@@H]5C4)cc23)c1 ZINC000150346685 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@@H]4C[C@@H](OC(C)=O)[C@H]5Cc6cc(OC)c(O)cc6C[C@]5(c5ccc6ccccc6c5)[C@H]5CCc6cc(O)c(OC)cc6[C@@H]5C4)cc23)c1 ZINC000150346687 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4ccccc4)c3c2)C[C@@H]2c3cc(OC)c(O)cc3C[C@@H](CCCO)[C@H]21 ZINC000150346689 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@H](c5ccc(O)c(OC)c5)C[C@]5(/C=C/c6ccccc6)[C@@H](CO)c6cc(O)c(OC)cc6C[C@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346690 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)C2(c3ccc4cc(O)cc(-c5ccccc5)c4c3)CCCC2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000150346694 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(c3ccc4ccccc4c3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4ccccc4)c3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000150346701 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)cc(-c5ccccc5)c4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@@H](CO)[C@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000150346703 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2C[C@H](OC(=O)C3(c4ccc5cc(O)cc(-c6ccccc6)c5c4)CCCC3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@H](CO)[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000150346706 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)cc(-c5ccccc5)c4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@@H](CO)[C@]3(c3ccc4ccccc4c3)C2)ccc1O ZINC000150346708 KK Annotated Anodyne in-vitro biogenic CCOCCCNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@H](c5ccc(O)c(OC)c5)C[C@]5(/C=C/c6ccccc6)Cc6cc(O)c(OC)cc6C[C@@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346709 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)cc(-c5cccc(CCCO)c5)c4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@H](CO)[C@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000150346712 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@H]5C[C@H](c6ccc(O)c(OC)c6)C[C@]6(/C=C/c7ccccc7)Cc7cc(O)c(OC)cc7C[C@@H]6[C@H](OC(C)=O)C5)CCCCC4)cc23)c1 ZINC000150346714 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H](c5ccc(O)c(OC)c5)C[C@]5(/C=C/c6ccccc6)Cc6cc(O)c(OC)cc6C[C@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346715 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(C4(C(=O)O[C@H]5C[C@H](c6ccc(O)c(OC)c6)C[C@]6(/C=C/c7ccccc7)Cc7cc(O)c(OC)cc7C[C@@H]6[C@H](OC(C)=O)C5)CCCC4)cc23)c1 ZINC000150346718 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2cc(O)cc3ccc(CC(=O)O[C@H]4C[C@@H](c5ccc(O)c(OC)c5)C[C@]5(c6ccc7ccccc7c6)Cc6cc(O)c(OC)cc6C[C@H]5[C@H](OC(C)=O)C4)cc23)c1 ZINC000150346722 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)C3(c4ccc5cc(O)cc(-c6ccccc6)c5c4)CCCC3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000150346726 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)cc(-c5cccc(CCCO)c5)c4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000150346728 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNCCC#C[C@@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000150346752 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNCCC#C[C@@]6(CCC[C@H](C)C6)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000150346753 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNC6(CC#C[C@@]7(C=CC[C@@H](C)C7)[C@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000150346755 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000150346756 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H]5CNC6(CC#C[C@@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000150346757 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H]5CNC6(CC#C[C@@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000150346759 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000150346760 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNC6(CC#C[C@@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000150346765 KK Annotated Reactive in-vitro biogenic CCCCC[C@H]1C[C@]2(CC[C@@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@@H](OCO)CC4)C2)C[C@H]1NC[C@H](C)O ZINC000150346775 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H](CNC5CCCCC5)[C@@H]([C@H]5C=CC[C@H](C)C5)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000150346783 KK Annotated Reactive in-vitro biogenic CNC(=N)Nc1cccc(CC[C@H](CO)C[C@@H]2C=C3/C=C\[C@H](c4ccccc4)[C@@H]4C#CO[C@H](CC(=O)CCc5ccc(OC)c(c5)OCc5c(C(O)O)cc6c4c(O)cc4c6c5C=C[C@H]4C)C[C@H]2C=C3O)c1 ZINC000150346813 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CC[C@H](CO)C[C@@H]2C=C3/C=C/[C@H](c4ccccc4)[C@@H]4C#CO[C@H](CC(=O)CCc5ccc(OC)c(c5)OCc5c(C(O)O)cc6c4c(O)cc4c6c5C=C[C@H]4C)C[C@H]2C=C3O)c1 ZINC000150346814 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CC[C@H](CO)C[C@@H]2C=C3CC[C@H](c4ccccc4)[C@H]4C#CO[C@H](CC(=O)CCc5ccc(OC)c(c5)OCc5c(C(O)O)cc6c4c(O)cc4c6c5C=C[C@@H]4C)C[C@H]2C=C3O)c1 ZINC000150346815 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=C3/C=C/[C@H](c4ccccc4)[C@]45C#CO[C@H](CC(=O)CCc6ccc(OC)c(c6)OCc6c(C(O)O)c(c7c4c(O)cc4c7c6C=C[C@@H]4C)CC5)C[C@@H]2C=C3O)c1 ZINC000150346818 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C3CC[C@@H](c4ccccc4)[C@@]45C#CO[C@H](CC(=O)CCc6ccc(OC)c(c6)OCc6c(C(O)O)c(c7c4c(O)cc4c7c6C=C[C@@H]4C)CC5)C[C@@H]2C=C3O)c1 ZINC000150346820 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C3/C=C\[C@H](c4ccccc4)[C@@H]4C#CO[C@H](CC(=O)CCc5ccc(OC)c(c5)OCc5c(C(O)O)cc6c4c(O)cc4c6c5C=C[C@H]4C)C[C@H]2C=C3O)c1 ZINC000150346822 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C3/C=C/[C@H](c4ccccc4)[C@@H]4C#CO[C@H](CC(=O)CCc5ccc(OC)c(c5)OCc5c(C(O)O)cc6c4c(O)cc4c6c5C=C[C@H]4C)C[C@H]2C=C3O)c1 ZINC000150346823 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C3CC[C@H](c4ccccc4)[C@H]4C#CO[C@H](CC(=O)CCc5ccc(OC)c(c5)OCc5c(C(O)O)cc6c4c(O)cc4c6c5C=C[C@@H]4C)C[C@H]2C=C3O)c1 ZINC000150346826 KK Annotated Mild in-vitro biogenic CCOCCc1cccc(C[C@]23C#CO[C@@H](C[C@@H]4C=C(O)C=C[C@H]4CCCCc4cccc(NC(=N)NC)c4)CC(=O)CCc4ccc(OC)c(c4)OCc4c(C(O)O)c(c5c2c(O)cc2c5c4C=C[C@@H]2C)CC3)c1 ZINC000150346829 KK Annotated Mild in-vitro biogenic CCOCCc1cccc(C[C@H]2C#CO[C@@H](C[C@@H]3C=C(O)C=C[C@H]3CCCCc3cccc(NC(=N)NC)c3)CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c2c(O)cc2c4c3C=C[C@@H]2C)c1 ZINC000150346834 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1C[C@H](CO)CCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346838 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)[C@@H](Cc1ccccc1)C#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1C[C@H](CO)CCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000150346841 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CC[C@H](CO)C[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)[C@@H](Cc3ccccc3)C#CO2)c1 ZINC000150346842 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346844 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346846 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)c4c5c(c(O)cc6c5c3C=C[C@@H]6C)[C@](Cc3ccccc3)(C#CO2)CC4)c1 ZINC000150346848 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1C[C@H](CO)CCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000150346849 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@@H]4C)C1(C#CO[C@@H](C[C@@H]3C=C(O)C=C[C@@H]3C[C@H](CO)CCc3cccc(NC[C@H](C)O)c3)CC(=O)CC2)CCCC1 ZINC000150346851 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@@H]5C)[C@@H](Cc3ccccc3)C#CO2)c1 ZINC000150346852 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)c3c4c(c(O)cc5c4c1C=C[C@H]5C)[C@H](C#CO[C@@H](C[C@@H]1C=C(O)C=C[C@@H]1C[C@H](CO)CCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2)CC3 ZINC000150346855 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1C[C@H](CO)CCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000150346857 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CC[C@H](CO)C[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000150346860 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2c(C(O)O)cc3c1c(O)cc1c3c2C=C[C@H]1C ZINC000150346862 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C(CCCO)C(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000150346864 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C(CCCO)=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000150346866 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@@H]4C)C1(C#CO[C@@H](C[C@@H]3C=C(O)C=C[C@H]3CCCCc3cccc(NC[C@H](C)O)c3)CC(=O)CC2)CCCC1 ZINC000150346870 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)C3(C#CO2)CCCC3)c1 ZINC000150346874 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)c3c4c(c(O)cc5c4c1C=C[C@H]5C)[C@H](C#CO[C@@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2)CC3 ZINC000150346876 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2C[C@H](CO)CCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2c(C(O)O)cc3c1c(O)cc1c3c2C=C[C@H]1C ZINC000150346877 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1C[C@H](CO)CCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346879 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)[C@@H](Cc3ccccc3)C#CO2)cccc1NC(=N)NC ZINC000150346884 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346887 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2c(C(O)O)cc3c1c(O)cc1c3c2C=C[C@H]1C ZINC000150346892 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346898 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@@H]5C)[C@H](Cc3ccccc3)C#CO2)c1 ZINC000150346900 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)cccc1NC(=N)NC ZINC000150346902 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)[C@H](Cc1ccccc1)C#CO[C@@H](C[C@@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346903 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000150346905 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@H]4C)C1(C#CO[C@@H](C[C@@H]3C=C(O)C=C[C@H]3CCCCc3cccc(NC[C@H](C)O)c3)CC(=O)CC2)CCCC1 ZINC000150346908 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@H]2C=C(O)C=C[C@H]2CCCCc2cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2c(CO)cc3c1c(O)cc1c3c2C=C[C@@H]1C ZINC000150346912 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=C(CCCO)C(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000150346913 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@@H]5C)C3(C#CO2)CCCC3)c1 ZINC000150346915 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346921 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000150346924 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)[C@H](Cc3ccccc3)C#CO2)c1 ZINC000150346933 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2c(CO)cc3c1c(O)cc1c3c2C=C[C@H]1C ZINC000150346936 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c1c(O)cc1c3c2C=C[C@H]1C ZINC000150346938 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3c4c(c(O)cc5c4c1C=C[C@@H]5C)[C@H](C#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2)CC3 ZINC000150346940 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@@H]5C)CC#CO2)cccc1NC(=N)NC ZINC000150346947 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000150346965 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3c4cc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC(=N)NC)c1)OC#C[C@@H]2CC4 ZINC000150346978 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000150347002 KK Annotated Anodyne in-vitro CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)OC#CC2 ZINC000150347003 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc(CC)c4c3)CC#CO2)c1 ZINC000150347015 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(O)c1)OC#CC2 ZINC000150347019 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc(CC)c4c3)CC#CO2)cccc1NC(=N)NC ZINC000150347027 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3c4cc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)OC#C[C@H]2CC4 ZINC000150347039 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)cccc1NC(=N)NC ZINC000150347057 KK Annotated Mild in-vitro biogenic CCCCCc1ccccc1CCCC[C@@H]1C=CC(O)=C[C@H]1C[C@H]1CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(c(O)cc(CC)c3c2)CC#CO1 ZINC000150347062 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3c4c(c(O)ccc4c1)[C@@H](C#CO[C@@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1ccccc1)CC(=O)CC2)CC3 ZINC000150347067 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3c4c(c(O)ccc4c1)[C@@H](C#CO[C@@H](CCCCCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2)CC3 ZINC000150347071 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3cc4c5c(c(O)ccc5c3)[C@@H](C#CO2)CC4)c1 ZINC000150347074 KK Annotated Mild in-vitro biogenic C[C@H]1C[C@@H](C)/C=C/C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O1 ZINC000150347107 KK Annotated Anodyne in-vitro COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@@H]5C[C@H](C6CCCC6)CC[C@@H]5[C@H](O)CC5(c6ccccc6)CCCCC5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000150347118 KK Annotated Clean in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CC2=C[CH+]N=C2)C[C@H]1Cc1[cH-]cc(-c2cccc(O)c2)n1 ZINC000150347135 KK Annotated Mild in-vitro biogenic CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000150347146 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000150347149 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000150347150 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000150347153 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150347157 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150347160 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150347161 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000150347165 KK Annotated Anodyne in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H]([C@]13CC4(CCCC4)C[C@@H]1C=Cc1c[nH]c[n+]13)c1cc2cnc1N ZINC000150347181 KK Annotated Reactive in-vitro biogenic CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000150347187 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000150347190 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000150347192 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000150347194 KK Annotated Anodyne in-vitro COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCNC[C@H](O)C4CCCC4)c3)C[C@H](O)[C@H]2CCO)cc(OC[C@H]2N[C@H](C)CC3(CCCC3)[C@]23[C@@H](C(=O)O)C=C[C@H]3c2ccnc(N)c2)c1O ZINC000150347205 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@@H]2CCO)cc(OC[C@@H]2N[C@H](C)C[C@]34CCC[C@@H]3C3(CCCC3)C[C@@H](c3ccnc(N)c3)[C@]24CC(=O)O)c1O ZINC000150347208 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@H](C2([C@H](C)O)CCCC2)CC#C[C@@H]2C[C@@H]3c4c(ccc(O)c4OC[C@H]3C3(CO)CCCC3)[C@@H]2C2(CCNCC2)[C@H](OC(=O)[C@@]23CCCC[C@@H]2CC2(CCCC2)C(=O)N3)C1 ZINC000150347253 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@@H](CCO)CO3)CCNCC1)[C@H]1CC[C@@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 ZINC000150347260 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@H]1CC[C@@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 ZINC000150347261 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)[C@H]1CC[C@@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 ZINC000150347266 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](C2(CO)CCCC2)CO3)CCNCC1 ZINC000150347268 KK Annotated Anodyne in-vitro biogenic CC[C@@H](CC=O)CC[C@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CC#C/N=C(/NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@](CNC)(C[C@H]2C[C@H](O)OC)O3)C12CCCC2 ZINC000150347307 KK Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 ZINC000150347309 KK Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSC/N=C(/NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 ZINC000150347310 KK Annotated Reactive in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C12CCCC2 ZINC000150347311 KK Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 ZINC000150347314 KK Annotated Reactive in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 ZINC000150347316 KK Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 ZINC000150347319 KK Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C12CCCC2 ZINC000150347320 KK Annotated Reactive in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@@]3(CNC)CC[C@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 ZINC000150347322 KK Annotated Reactive in-vitro biogenic CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 ZINC000150347324 KK Annotated Reactive in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 ZINC000150347326 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSC/N=C(/NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 ZINC000150347328 KK Annotated Reactive in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@]3(Cc5ccc(O)c(OC)c5)CCC[C@H]3CC#C/N=C(/NC)N4)CCCC1)[C@@H](C[C@H](O)OCCCO)C2 ZINC000150347330 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 ZINC000150347332 KK Annotated Reactive in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C12CCCC2 ZINC000150347335 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 ZINC000150347337 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 ZINC000150347340 KK Annotated Mild in-vitro biogenic CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](CC[C@H](CC)CC=O)C32CCCC2)C1 ZINC000150347343 KK Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@]3(Cc5ccc(O)c(OC)c5)CCC[C@H]3CC#C/N=C(/NC)N4)CCCC1)[C@@H](C[C@H](O)OC)C2 ZINC000150347346 KK Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@]3(Cc5ccc(O)c(OC)c5)CCC[C@H]3CC#C/N=C(/NC)N4)CCCC1)[C@@H](C[C@H](O)OC1CCCC1)C2 ZINC000150347348 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)[C@@H]3C=C[C@H](SSC/N=C(/NC)Nc4cc(cc(O[C@@]5(CNC)CC[C@H](C[C@H](O)OC)C5)c4O)C14CCCC4)[C@H]2CC3 ZINC000150347351 KK Annotated Reactive in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C12CCCC2 ZINC000150347353 KK Annotated Reactive in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@]3(Cc5ccc(O)c(OC)c5)CCC[C@H]3CC#C/N=C(/NC)N4)CCCC1)[C@@H](C[C@H](O)OC1CCCCC1)C2 ZINC000150347355 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](CCO[C@H](CCO)NC[C@H](C)O)C1 ZINC000150347357 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 ZINC000150347359 KK Annotated Reactive in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](C[C@H](O)OCCCO)C1 ZINC000150347363 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](CCOCNC[C@H](C)O)C3)c2O)C12CCCC2 ZINC000150347366 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 ZINC000150347368 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](CCOCNC[C@H](O)Cc2ccc3cc(O)ccc3c2)C1 ZINC000150347373 KK Annotated Mild in-vitro biogenic CCCCCCO[C@H](O)C[C@H]1CC[C@](CNC)(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](CC[C@H](CC)CC=O)C32CCCC2)C1 ZINC000150347375 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](CCOC2(NC[C@H](C)O)CCCCC2)C1 ZINC000150347378 KK Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@@]3(Cc5ccc(O)c(OC)c5)CCC[C@@H]3CSSC/N=C(/NC)N4)CCCC1)[C@@H](C[C@H](O)OC)C2 ZINC000150347380 KK Annotated Reactive in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@]3(Cc5ccc(O)c(OC)c5)CCC[C@H]3CC#C/N=C(/NC)N4)CCCC1)[C@@H](CCOCNC[C@H](C)O)C2 ZINC000150347383 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](CCOC2(NC[C@H](C)O)CCCC2)C1 ZINC000150347386 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](C[C@H](O)OC)C1 ZINC000150347390 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC2CCCC2)C1 ZINC000150347395 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC2CCCCC2)C1 ZINC000150347397 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](CCOCNC[C@H](C)O)C1 ZINC000150347405 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C1 ZINC000150347409 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](C[C@H](O)OC2CCCC2)C1 ZINC000150347416 KK Annotated Reactive in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@@]1(Cc3ccc(O)c(OC)c3)CCC[C@H]1CC#C/N=C(/NC)N4)[C@@H](C[C@H](O)OC)C2 ZINC000150347422 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](CCOCNC[C@H](C)O)C3)c2O)C1 ZINC000150347423 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOCNC[C@H](O)Cc2ccc3cc(O)ccc3c2)C1 ZINC000150347431 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](CCOC2(NC[C@H](C)O)CCCCC2)C1 ZINC000150347435 KK Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@@]1(Cc3ccc(O)c(OC)c3)CCC[C@H]1CC#C/N=C(/NC)N4)[C@@H](CCOCNC[C@H](C)O)C2 ZINC000150347436 KK Annotated Mild in-vitro biogenic CNC[C@@]12C[C@@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@]1(Cc3ccc(O)c(OC)c3)CCC[C@@H]1CSSC/N=C(/NC)N4)[C@@H](C[C@H](O)OC)C2 ZINC000150347437 KK Annotated Reactive in-vitro biogenic CCCCCCO[C@H](O)C[C@@H]1CC[C@@](CNC)(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](CCCCC)C32CCCC2)C1 ZINC000150347442 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OC)C1 ZINC000150347445 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSS[C@@H]2C=C[C@@H]4CC[C@H]2[C@@]4(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](C[C@H](O)OC)C1 ZINC000150347449 KK Annotated Reactive in-vitro biogenic CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](CCCCC)C32CCCC2)C1 ZINC000150347453 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOCNC[C@H](C)O)C1 ZINC000150347457 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CC#C/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](CCOC)C3)c2O)C1 ZINC000150347467 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOCNC[C@H](O)CCCc2ccccc2)C1 ZINC000150347475 KK Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@@]1(Cc3ccc(O)c(OC)c3)CCC[C@H]1CC#C/N=C(/NC)N4)[C@@H](CCOC)C2 ZINC000150347481 KK Annotated Mild in-vitro biogenic CNC[C@]12C[C@H](CCOC)[C@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@]1(Cc3ccc(O)c(OC)c3)CCC[C@@H]1CSSC/N=C(/NC)N4)C2 ZINC000150347485 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC)C1 ZINC000150347489 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\C#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC2CCCCC2)C1 ZINC000150347490 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSS[C@@H]2C=C[C@@H]4CC[C@H]2[C@]4(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC)C1 ZINC000150347493 KK Annotated Reactive in-vitro biogenic CN[C@H](O)[C@]12CCC3=[N+](C=C4N=CC=C43)[C@H]1N=C(NCCCc1ccnc(N)c1)N[C@]21CCC[C@H](Oc2cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc2O)C1 ZINC000150347535 KK Annotated Clean in-vitro biogenic CN[C@H](O)[C@@H]1[C@@H]([N+]2=CC3=CC=NC3=C2)N=C(NCCCc2ccnc(N)c2)N[C@@]12CCC[C@H](Oc1cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc1O)C2 ZINC000150347536 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CC#C[C@H]3[C@H](CCC[C@]34NC(NCCCc3ccnc(N)c3)=N[C@@H]3[C@@H]4CCC4=[N+]3C=C3N=CC=C34)Oc3cc(ccc3O)C2)C1 ZINC000150347538 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CC#C[C@@H]3[C@H](CCC[C@]34C[C@H]([N+]3=CC5=CC=NC5=C3)N=C(NCCCc3ccnc(N)c3)N4)Oc3cc(ccc3O)C2)C1 ZINC000150347542 KK Annotated Mild in-vitro biogenic CNC[C@@]12CCC3=[N+](C=C4N=CC=C43)[C@H]1N=C(NCCCc1ccnc(N)c1)N[C@@]21CCC[C@H](Oc2cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc2O)C1 ZINC000150347545 KK Annotated Clean in-vitro biogenic CNC[C@H]1[C@@H]([N+]2=CC3=CC=NC3=C2)N=C(NCCCc2ccnc(N)c2)N[C@]12CCC[C@H](Oc1cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc1O)C2 ZINC000150347547 KK Annotated Clean in-vitro biogenic CNC[C@H]1[C@H]([N+]2=CC3=NC=CC3=C2CCCO)N=C(NCCCc2ccnc(N)c2)N[C@@]12CCC[C@H](Oc1cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc1O)C2 ZINC000150347548 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@H]3CCC[C@@]4(C3)NC(NCCCc3ccnc(N)c3)=N[C@@H]3[C@H]4CCC4=[N+]3C=C3N=CC=C34)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000150347551 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@@H]3CC[C@@H]4CC[C@H]5CC6=[N+](C=C7N=CC=C76)[C@@H]6N=C(NCCCc7ccnc(N)c7)N[C@]4(C3)[C@@H]56)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000150347556 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@@H]3CCC[C@]4(C[C@H]([N+]5=CC6=CC=NC6=C5)N=C(NCCCc5ccnc(N)c5)N4)C3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000150347559 KK Annotated Clean in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(O[C@@H]2CCC[C@]3(C2)C[C@@H]([N+]2=CC4=CC=NC4=C2)N=C(NCCCc2ccnc(N)c2)N3)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000150347560 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@@H]4CCC[C@@]5(CCN=C(NCCCc6ccnc(N)c6)N5)[C@@H]4C#C[C@H]3CC[C@@H]12 ZINC000150347563 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1C=C[C@@H]1C#C[C@H]3[C@@H](CCC[C@]34CCN=C(NCCCc3ccnc(N)c3)N4)Oc3cc(ccc3O)C[C@H]12 ZINC000150347566 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1C#C[C@H]3[C@H](NC(=N)NCCCc4ccnc(N)c4)CCC[C@H]3Oc3cc(ccc3O)C[C@@H]21 ZINC000150347568 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@@H]4CCC[C@@H](NC(=N)NCCCc5ccnc(N)c5)[C@@H]4C#C[C@H]3C=C[C@H]12 ZINC000150347570 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]34C[C@@H](CCCCNC(=N)N3)C[C@H](C4)Oc3cc(ccc3O)C2)C1 ZINC000150347584 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(O[C@H]2CCC[C@@]3(CCN=C(NCCCc4ccnc(N)c4)N3)C2)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000150347593 KK Annotated Clean in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1[C@@]2(C)C[C@@]3(OC(C)=O)[C@](C)(C4=C(C[C@@]13OC(C)=O)C1=C(O)C(=O)O[C@@H](c3ccoc3)[C@]1(C)CC4)[C@H]2CC(=O)OC ZINC000150347618 KK Annotated Anodyne in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@@H]1N[C@@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@@H](CC[C@H](C(C)=O)N1)C[C@@H]3CO)CC(=O)CC2 ZINC000150347630 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@H](C(C)=O)N1)C[C@H]3CO)CC(=O)CC2 ZINC000150347631 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@]13CC[C@@H](C[C@H]1O)[C@H](CC(=O)CC2)O[C@H]1N[C@@H](CCCO)[C@H](CSSC3)C[C@H]2c3c1cc(CO)c(NCC(C)=O)c3CC[C@H]2CO ZINC000150347634 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@]13CC[C@@H](C[C@H]1O)[C@H](CC(=O)CC2)O[C@H]1N[C@@H](CCCO)[C@H](CSSC3)C[C@H](CCO)c2cc(NCC(C)=O)c(CO)cc21 ZINC000150347637 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 ZINC000150347639 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H]1N[C@H](CCC3(O)CCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 ZINC000150347644 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 ZINC000150347648 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O[C@H]1N[C@@H](CCC3(O)CCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 ZINC000150347651 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H]1N[C@H](CCCO)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 ZINC000150347653 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O[C@H]1N[C@@H](CCCO)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 ZINC000150347655 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@@H]4Cc5c(NCC(C)=O)c(CO)cc1c5[C@H]3[C@@H]4CO)CC(=O)CC2 ZINC000150347658 KK Annotated Reactive in-vitro biogenic CCCCC[C@@H]1SSC[C@@H]2C[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc3[C@H](N[C@@H]2CCCO)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@@]13CC[C@@H]2C[C@@H]3O ZINC000150347662 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1cc(CO)c3c4c1C[C@H](CO)C[C@H]4CC[C@H](C(C)=O)N3)CC(=O)CC2 ZINC000150347665 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 ZINC000150347667 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O[C@@H]1N[C@@H](CCC3(O)CCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 ZINC000150347670 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 ZINC000150347674 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 ZINC000150347677 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@@H]1N[C@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 ZINC000150347678 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 ZINC000150347680 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 ZINC000150347681 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 ZINC000150347682 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 ZINC000150347685 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 ZINC000150347686 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347688 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347691 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347694 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347697 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347700 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347702 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347704 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000150347706 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCC1(O)CCCCC1)CC(=O)CC2 ZINC000150347708 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347712 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347714 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347716 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347717 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347723 KK Annotated Reactive in-vitro biogenic O=C(O)/C(=C/c1sc2cc(OCc3ccc(Sc4ccccc4)cc3)c(OCc3ccc(Sc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000150347724 KK Annotated Anodyne COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347725 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@@H]1C[C@H](O)CSS2)c1ccc(NCC(C)=O)c(CO)c1 ZINC000150347731 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347736 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000150347737 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@@H]3CC[C@@H]2C[C@H](O)CSS3)c1 ZINC000150347742 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NCC(C)=O)c(CO)c1 ZINC000150347744 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NC[C@H](C)O)c(CO)c1 ZINC000150347745 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2CCCSS3)c1 ZINC000150347750 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(O)c1 ZINC000150347753 KK Annotated Reactive in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5CC[C@@H]([C@@H]6C=C7CCc8c9c(cc%10ccc(c7c8%10)[C@H]6O)=N[CH+]C=9)[C@H](N)C5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347781 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5CC[C@@H]([C@H]6C=Cc7c(ccc8cc9c(cc78)=C[CH+]N=9)[C@@H]6O)[C@H](N)C5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347785 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@H]5C=Cc6c(ccc7cc8c(cc67)=C[CH+]N=8)[C@@H]5O)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000150347788 KK Annotated Mild in-vitro biogenic CNC(=N)NC[C@H](C)CC[C@@H]1CC[C@@H](N)C[C@H]1CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000150347790 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5CC[C@@H]([C@@H]6C=Cc7cc(CO)ccc7[C@H]6O)[C@H](N)C5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347792 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC[C@H]5CSSCc6c(CO)ccc7c6C=C[C@@H](C[C@H]5N)[C@H]7O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@@H]21 ZINC000150347794 KK Annotated Reactive in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@H]5C=Cc6c(ccc7cc8c(cc67)=C[CH+]N=8)[C@@H]5O)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C2 ZINC000150347796 KK Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@H]5C=Cc6c(ccc7cc8c(cc67)=C[CH+]N=8)[C@@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347801 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H](CCCO)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6c(ccc7cc8c(cc67)=C[CH+]N=8)[C@@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347802 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@H]5C=Cc6c(ccc7cc8c(cc67)=C[CH+]N=8)[C@@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347804 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5C[C@H](N)CC[C@H]5CC[C@H](C)CNC(=N)NC5CCCCC5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347806 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6cc(CO)ccc6[C@H]5O)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000150347809 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6cc(CO)ccc6[C@H]5O)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C2 ZINC000150347812 KK Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6cc(CO)ccc6[C@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347815 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H](CCCO)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6cc(CO)ccc6[C@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347817 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5CC[C@@H](C[C@H](O)CCc6ccnc(N)c6)[C@H](N)C5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347820 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5CC[C@@H]([C@@H]6C=Cc7ccccc7[C@H]6O)[C@H](N)C5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347823 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC[C@@H]5CSSCc6cccc7c6C=C[C@@H](C[C@H]5N)[C@@H]7O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347826 KK Annotated Reactive in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CC[C@H](O)CCc5ccnc(N)c5)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000150347832 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6ccccc6[C@H]5O)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000150347837 KK Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CC[C@H](O)CCc5ccnc(N)c5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347843 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H](CCCO)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CC[C@H](O)CCc5ccnc(N)c5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347846 KK Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@H]5C=Cc6ccccc6[C@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@@H]21 ZINC000150347848 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H](CCCO)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6ccccc6[C@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000150347851 KK Annotated Mild in-vitro biogenic CO[C@H]1CC[C@@]23C[C@@H](C)C[C@H]4C2=C[C@@H]2C[C@@H](CC#Cc5c(CCC(=O)/C=C(\CO)CCC6CCCC6)cc(OC6CCCC6)c(O)c5[C@H]3[C@@H]21)/N=C(\N)NC1(CCCCC1)c1cccc(c1)Cc1cc(O)cc4c1 ZINC000150347908 KK Annotated Mild in-vitro biogenic COC[C@@H]1[C@@H]2C=C3[C@H]4C[C@H](C)C[C@@H]3[C@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)C3=C[C@@H]5CCC=C[C@@]5(CO)CC3)c1C#CC[C@@H](C2)/N=C(\N)NC1(CCCCC1)c1cccc(c1)Cc1cc(O)cc4c1 ZINC000150347909 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@]3(CO)C=C4[C@@H](C[C@@H](C)C[C@@H]4[C@H]2[C@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1)CO ZINC000150347911 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1)CO ZINC000150347912 KK Annotated Mild in-vitro biogenic CC[C@H]1C=C(C(=O)CCc2cc(OC3CCCC3)c(O)c3c2C#CC[C@H]2C[C@H]4C=C5[C@@H](C[C@H](C)C[C@@H]5[C@@H]3[C@@H]4COC)c3cc(O)cc(c3)Cc3cccc(c3)C3(CCCCC3)N/C(N)=N/2)CC[C@@H]1CO ZINC000150347913 KK Annotated Mild in-vitro biogenic COC[C@@H]1[C@@H]2C=C3[C@H]4C[C@H](C)C[C@@H]3[C@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C(\CO)CCC3CCCC3)c1C#CC[C@@H](C2)/N=C(\N)NC1(CCCCC1)c1cccc(c1)Cc1cc(O)cc4c1 ZINC000150347914 KK Annotated Mild in-vitro biogenic CO[C@H]1CC[C@@]23C[C@@H](C)C[C@H]4C2=C[C@@H]2C[C@@H](CC#Cc5c(CCC(=O)/C=C/CCC6CCCC6)cc(OC6CCCC6)c(O)c5[C@@H]3[C@@H]21)/N=C(\N)NC1(CCCCC1)c1cccc(c1)Cc1cc(O)cc4c1 ZINC000150347917 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@]3(CO)C=C4[C@@H](C[C@H](C)C[C@@H]4[C@H]2[C@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1)CO ZINC000150347918 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1)CO ZINC000150347919 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1)CCO ZINC000150347921 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC2CCCCC2)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1)CO ZINC000150347923 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@@H](C)C[C@H]4c4cc(O)cc(c4)Cc4cccc(c4)CN/C(N)=N/1)[C@H]2[C@H]3COC)CO ZINC000150347924 KK Annotated Mild in-vitro biogenic COC[C@@H]1[C@@H]2C=C3[C@H]4C[C@H](C)C[C@@H]3[C@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C/CCC3CCCC3)c1C#CC[C@@H](C2)/N=C(\N)NC1(CCCCC1)c1cccc(c1)Cc1cc(O)cc4c1 ZINC000150347925 KK Annotated Mild in-vitro biogenic COC[C@H]1[C@@H]2C=C3[C@H]4C[C@@H](C)C[C@H]3c3cc(O)cc(c3)Cc3cccc(c3)CN/C(N)=N/[C@@H](CC#Cc3c(CCC(=O)/C=C(\CO)CCC5CCCC5)cc(OC5CCCC5)c(O)c3[C@@H]41)C2 ZINC000150347928 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1 ZINC000150347932 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@]3(CO)C=C4[C@@H](C[C@H](C)C[C@H]4c4cc(O)cc(c4)Cc4cccc(c4)CN/C(N)=N/1)[C@H]2[C@H]3COC)CO ZINC000150347940 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@H]4c4cc(O)cc(c4)Cc4cccc(c4)CN/C(N)=N/1)[C@H]2[C@H]3COC)CO ZINC000150347945 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC2CCCCC2)c2cc(O)cc(c2)Cc2cccc(c2)C2(CCCCC2)N/C(N)=N/1 ZINC000150347949 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@@H](C)C[C@@H]4[C@@H]2[C@@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)CN/C(N)=N/1)CCO ZINC000150347953 KK Annotated Mild in-vitro biogenic COC[C@H]1[C@@H]2C=C3[C@H]4C[C@@H](C)C[C@H]3c3cc(O)cc(c3)Cc3cccc(c3)CN/C(N)=N/[C@@H](CC#Cc3c(CCC(=O)/C=C/CCC5CCCC5)cc(OC5CCCC5)c(O)c3[C@@H]41)C2 ZINC000150347962 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1CC#CC[C@@H](C)C[C@@H]3CC[C@@H](OC)[C@H](CC[C@@H]1N=C(N)N)[C@@H]23)CO ZINC000150347966 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1CC#CC[C@@H](C)C[C@H]3CC[C@H](OC)[C@@H](CC[C@H]1N=C(N)N)[C@H]23 ZINC000150347974 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C(NC1=C(O)c3c(O)cc(C)c4c5c(c(O)c(c34)C1=O)C(C)(C)[C@@H](C)O5)=C2O ZINC000150348004 KK Annotated Mild NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3O)[C@@H]3C[C@@H]4C[C@@H]([C@@]56CCC[C@H]5c5[cH-]cnc5-c5ccccc56)[C@@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348021 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3O)[C@@H]3C[C@@H]4C[C@@H]([C@@]56CCCC[C@H]5c5[cH-]cnc5-c5ccccc56)[C@@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348024 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@H]2C[C@@H](Cc3ccc(O)cc3O)[C@H]3C[C@H]4C[C@H]([C@]5(c6ccccc6)CCCC6(CCCC6)C5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348026 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3O)[C@H]3C[C@H]4C[C@H]([C@]5(c6ccccc6)CCC6(CCCC6)C5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348028 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3)[C@@H]3C[C@@H]4C[C@@H]([C@]56CCCC[C@H]5c5[cH-]cnc5-c5ccccc56)[C@@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348029 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@H](Cc3ccc(O)cc3O)[C@H]3C[C@H]4C[C@H]([C@@]5(c6ccccc6)CC[C@@H](CCO)C5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348030 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3O)[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348031 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3O)[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348033 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@H]2C[C@@H](Cc3ccc(O)cc3)[C@H]3C[C@H]4C[C@H]([C@]5(c6ccccc6)CCCC6(CCCC6)C5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348037 KK Annotated Clean in-vitro biogenic CCCCC[C@H]1CC[C@@](c2ccccc2)([C@H]2C[C@@H]3C[C@@H]4[C@H](Cc5ccc(O)cc5O)C[C@@H](C(=O)CCc5ccc(O)c(OCN)c5)[C@H](O)[C@H]4[C@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)C1 ZINC000150348038 KK Annotated Clean in-vitro biogenic CC(C)CC[C@@H]1CCC[C@@](c2ccccc2)([C@H]2C[C@@H]3C[C@@H]4[C@@H](Cc5ccc(O)cc5O)C[C@@H](C(=O)CCc5ccc(O)c(OCN)c5)[C@H](O)[C@H]4[C@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)C1 ZINC000150348041 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@H](Cc3ccc(O)cc3)[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000150348045 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H]([C@]45CC6(CCCC6)CC[C@@H]4c4[cH-]cnc4-c4ccccc45)[C@@H]2c2cc(O)c(O)c(OC4(c5cccc(O)c5)CCCC4)c23)ccc1O ZINC000150348047 KK Annotated Clean in-vitro biogenic CC(C)CC[C@H]1CCC[C@@](c2ccccc2)([C@H]2C[C@@H]3C[C@@H]4[C@H](Cc5ccc(O)cc5)C[C@@H](C(=O)CCc5ccc(O)c(OCN)c5)[C@H](O)[C@H]4[C@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)C1 ZINC000150348051 KK Annotated Clean in-vitro biogenic CC(C)CC[C@H]1CC2(CCCC2)C[C@]2([C@H]3C[C@@H]4C=C[C@@H]([C@@H](O)CC(=O)CCc5ccc(O)c(OCN)c5)[C@H]3c3cc(O)c(O)c(OCc5cccc(O)c5)c34)c3ccccc3-c3nc[cH-]c3[C@H]12 ZINC000150348055 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@@H](c2cc(O)c(O)c(OC[C@@H]3C=CC[C@H](C)C3)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@@]2(CC[C@@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348088 KK Annotated Clean in-vitro biogenic C[C@H]1CC=C[C@@H](COc2cc([C@@H]3CCc4c(ccc5cc(O)ccc45)Nc4cc(ccn4)[C@@]4(CC[C@H](O)[C@H]4Cc4[cH-]ccn4)[C@@H]([C@H](O)C[C@H]4C=C[C@@H]5CCOc6c(O)ccc4c65)C(=O)C3)cc(O)c2O)C1 ZINC000150348089 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@@H](c2cc(O)c(O)c(OC[C@H]3C=CC[C@@H](C)C3)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@@]2(CC[C@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348091 KK Annotated Clean in-vitro biogenic CNC[C@@]12C=Cc3cc(O)cc4ccc(c1c34)Nc1cc(ccn1)[C@]1(CC[C@@H](O)[C@H]1Cc1[cH-]ccn1)[C@@H]([C@H](O)CCc1ccc(O)c(OC)c1)C(=O)C[C@H](c1cc(O)c(O)c(OC[C@@H]3C=CC[C@H](C)C3)c1)C2 ZINC000150348093 KK Annotated Clean in-vitro biogenic C[C@H]1CC=C[C@@H](COc2cc([C@@H]3CCc4c(ccc5cc(O)ccc45)Nc4cc(ccn4)[C@@]4(CC[C@H](O)[C@H]4Cc4[cH-]ccn4)[C@@H]([C@H](O)CCc4ccc(O)c5c4CCCO5)C(=O)C3)cc(O)c2O)C1 ZINC000150348096 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OCCCC(C)C)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(CC[C@@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348098 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC[C@@H]4C=CC[C@@H](C)C4)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@@]23CC[C@H](O)[C@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348100 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@@H](c3cc(O)c(O)c(OC[C@@H]4C=CC[C@H](C)C4)c3)C[C@@H]3C=Cc4cc(O)cc5ccc(c3c45)Nc3cc(ccn3)[C@@]23CC[C@@H](O)[C@@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348102 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OC[C@@H]3C=CC[C@@H](C)C3)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(CCC[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348105 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OC[C@@H]3C=CC[C@H](C)C3)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@]2(CCC[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348107 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@@H](c2cc(O)c(O)c(OCCCC(C)C)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@@]2(CC[C@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348109 KK Annotated Clean in-vitro biogenic CNC[C@@]12C=Cc3cc(O)cc4ccc(c1c34)Nc1cc(ccn1)[C@]1(CCC[C@@H]1Cc1[cH-]ccn1)[C@@H]([C@H](O)CCc1ccc(O)c(OC)c1)C(=O)C[C@@H](c1cc(O)c(O)c(OC[C@H]3C=CC[C@H](C)C3)c1)C2 ZINC000150348111 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@@]2(CC[C@@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348112 KK Annotated Clean in-vitro biogenic CNC[C@H]1C[C@@H](c2cc(O)c(O)c(OCC(C)C)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@@]2(CC[C@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348114 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@@]2(CC[C@H](O)[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348116 KK Annotated Clean in-vitro biogenic CNC[C@@]12C=Cc3cc(O)cc4ccc(c1c34)Nc1cc(ccn1)[C@]1(CC[C@@H](O)[C@H]1Cc1[cH-]ccn1)[C@@H]([C@H](O)CCc1ccc(O)c(OC)c1)C(=O)C[C@H](c1cc(O)c(O)c(OC)c1)C2 ZINC000150348117 KK Annotated Clean in-vitro biogenic CC(C)CCCOc1cc([C@@H]2CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@@]3(CC[C@@H](O)[C@@H]3Cc3[cH-]ccn3)[C@@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000150348118 KK Annotated Clean in-vitro biogenic C[C@@H]1CC=C[C@@H](COc2cc([C@@H]3CCc4c(ccc5cc(O)ccc45)Nc4cc(ccn4)[C@]4(CCC[C@@H]4Cc4[cH-]ccn4)[C@H]([C@H](O)CCc4ccc(O)c5c4CCCO5)C(=O)C3)cc(O)c2O)C1 ZINC000150348119 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCCCC(C)C)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@@]23CC[C@@H](O)[C@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348120 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC[C@@H]4C=CC[C@@H](C)C4)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]23CCC[C@@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348121 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC[C@@H]4C=CC[C@@H](C)C4)c3)C[C@@H]3C=Cc4cc(O)cc5ccc(c3c45)Nc3cc(ccn3)[C@@]23CCC[C@@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348122 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OCCCC(C)C)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@]2(CCC[C@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348123 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCC(C)C)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@@]23CC[C@H](O)[C@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348124 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(CCC[C@@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348126 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OCC(C)C)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@]2(CCC[C@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000150348127 KK Annotated Clean in-vitro biogenic CNC[C@@]12C=Cc3cc(O)cc4ccc(c1c34)Nc1cc(ccn1)[C@]1(CCC[C@@H]1Cc1[cH-]ccn1)[C@@H]([C@H](O)CCc1ccc(O)c(OC)c1)C(=O)C[C@@H](c1cc(O)c(O)c(OC)c1)C2 ZINC000150348129 KK Annotated Clean in-vitro biogenic CC(C)CCCOc1cc([C@@H]2CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]3(CCC[C@@H]3Cc3[cH-]ccn3)[C@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000150348130 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCCCC(C)C)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]23CCC[C@@H]3Cc2[cH-]ccn2)ccc1O ZINC000150348132 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CC[C@@H](O)[C@H]2Cc2[cH-]ccn2)ccc1O ZINC000150348138 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC[C@@H]3C=CC[C@@H](C)C3)c2)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCC[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000150348140 KK Annotated Clean in-vitro biogenic CC(C)CCCOc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCC[C@H]2Cc2[cH-]ccn2)cc(O)c1O ZINC000150348142 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]23CC[C@H](O)C3)ccc1O ZINC000150348145 KK Annotated Clean in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@@H](c2cc(OC)c(O)cc2CO)[C@@H](Cc2ccccc2)C#C[C@H]2CN[C@H]3CCC[C@@H]4C=Cc5cc(O)c(O)cc5[C@]34[C@@H]2[C@H]1O ZINC000150348227 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@H]2CC[C@@H]4CC[C@H]5C[C@@H]4[C@]23c2cc(O)c(O)cc25)ccc1O ZINC000150348231 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@@H](c2ccc(O)c(OC)c2)[C@H](Cc2ccccc2)C#C[C@@H]2CN[C@H]3CCC[C@@H]4C[C@@H](CNC)c5cc(O)c(O)cc5[C@@]34[C@@H]2[C@H]1O ZINC000150348235 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@@H](c2ccc(O)c(OC)c2)[C@@H](Cc2ccccc2)C#C[C@H]2CN[C@H]3CCC[C@@H]4C=Cc5cc(O)c(O)cc5[C@]34[C@@H]2[C@H]1O ZINC000150348254 KK Annotated Mild in-vitro biogenic CO[C@H](CO)CC[C@H]1CCC2(CCCC2)C[C@@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 ZINC000150348309 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@]1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@@H](O)O4)CC3(CCCC3)CC[C@H]1CC[C@@H](CO)OC)CC[C@@H](O)CC(=O)CC2 ZINC000150348315 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@H](O)O4)CCCC[C@H]1CC[C@@H](CO)OC)CC[C@@H](O)CC(=O)CC2 ZINC000150348319 KK Annotated Reactive in-vitro biogenic COCCC[C@@H]1CCCC[C@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 ZINC000150348323 KK Annotated Reactive in-vitro biogenic COCCC[C@@H]1CCC2(CCCC2)C[C@@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 ZINC000150348324 KK Annotated Reactive in-vitro biogenic COCCC[C@@H]1CCCC[C@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 ZINC000150348328 KK Annotated Reactive in-vitro biogenic CC(C)[C@@H]1CSSC[C@@H]2[C@@H](C#CC[C@@]3(CCC[C@H](Cc4cccc(O)c4)C3)NCOc3c4cc(c5c3O[C@@H](O)[C@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 ZINC000150348331 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@@H]5[C@H](C3)[C@H](O)O4)C[C@@H](Cc3cccc(O)c3)CC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 ZINC000150348333 KK Annotated Reactive in-vitro biogenic COCCCc1c(O)cccc1C[C@@H]1CCC[C@@]2(CC#C[C@H]3/N=C(\N)N[C@H](C(C)C)CSSC[C@H]3[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN2)CC#Cc2c(ccc(O)c2OC)CCC(=O)C[C@H](O)CC5)C1 ZINC000150348335 KK Annotated Reactive in-vitro biogenic CC(C)[C@@H]1CSSC[C@H]2[C@@H](C#CC[C@]3(CCCC4(CCCC4)C3)NCOc3c4cc(c5c3O[C@@H](O)[C@@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 ZINC000150348338 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@@H](O)O4)CCC[C@H](Cc3cccc(O)c3)C1)CC[C@@H](O)CC(=O)CC2 ZINC000150348339 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@H](O)O4)CCC[C@H](C3(c4cccc(O)c4)CCCCC3)C1)CC[C@@H](O)CC(=O)CC2 ZINC000150348342 KK Annotated Reactive in-vitro biogenic CC(C)[C@H]1CSSC[C@H]2[C@@H](C#CC[C@@H](CCc3ccccc3)NCOc3c4cc(c5c3O[C@@H](O)[C@@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 ZINC000150348352 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 ZINC000150348355 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@@H](C3)[C@H](O)O4)CCC[C@H]1Cc1ccccc1)CC[C@@H](O)CC(=O)CC2 ZINC000150348359 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@H](O)O4)CCCCC1)CC[C@@H](O)CC(=O)CC2 ZINC000150348360 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@@H](O)O4)CCCC13CCCC3)CC[C@@H](O)CC(=O)CC2 ZINC000150348362 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@H]1/N=C(\N)N[C@@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@H](O)O4)CC[C@@H](O)CC(=O)CC2 ZINC000150348366 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@H](CCc1ccccc1)CC#C[C@H]1/N=C(\N)N[C@@H](C(C)C)CSSC[C@@H]1[C@H](CO4)C3)CC[C@@H](O)CC(=O)CC2 ZINC000150348384 KK Annotated Reactive in-vitro biogenic CNC[C@H]1C#C[C@H]2Nc3ncc[c-]3Cc3cc(ccc3C[C@@H]1O)[C@H](O)c1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@H]1C2=Cc2nc[cH-]c2[C@H]1C[C@@]1(O)C=Cc2c(O)cccc2CC1 ZINC000150348439 KK Annotated Mild in-vitro biogenic CCCNC[C@@H]1C#C[C@@H]2Nc3ncc[c-]3Cc3cc(ccc3C[C@@H]1O)[C@H](O)c1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@@H]1C2=Cc2nc[cH-]c2[C@H]1C[C@]1(O)C=Cc2c(O)cccc2CC1 ZINC000150348441 KK Annotated Mild in-vitro biogenic CNC[C@@H]1C#C[C@@H]2Nc3ncc[c-]3Cc3cc(ccc3C3(CCCC3)[C@H]1O)Cc1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@H](CCO)C(=O)[C@H]1C2=Cc2nc[cH-]c2[C@@H]1C[C@@]1(O)C=Cc2c(O)cccc2CC1 ZINC000150348445 KK Annotated Mild in-vitro biogenic CNC[C@@H]1C#C[C@@H]2Nc3ncc[c-]3Cc3cc(ccc3C[C@@H]1O)Cc1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@@H]1C2=Cc2nc[cH-]c2[C@@H]1C[C@]1(O)C=Cc2c(O)cccc2CC1 ZINC000150348447 KK Annotated Mild in-vitro biogenic CNC[C@H]1C#C[C@H]2Nc3ncc[c-]3[C@@H]3C=C[C@H](c4ccc(cc43)Cc3cc(cc(OC4CCCC4)c3O)CCC(=O)[C@@H](CCO)C(=O)[C@@H]3C2=Cc2nc[cH-]c2[C@H]3C[C@]2(O)C=Cc3c(O)cccc3CC2)[C@@H]1O ZINC000150348451 KK Annotated Mild in-vitro biogenic CCCNC[C@H]1C#C[C@H]2Nc3ncc[c-]3Cc3cc(ccc3C[C@H]1O)Cc1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@H]1C2=Cc2nc[cH-]c2[C@H]1C[C@]1(O)C=Cc2c(O)cccc2CC1 ZINC000150348454 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@@H](O)c2ccc(C[C@H](O)Cc3ccccc3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348460 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2ccc3c(c2)C[c-]2ccnc2N[C@H](C#CC[C@@H](O)C32CCCC2)C2=Cc3nc[cH-]c3[C@@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348463 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2ccc3c(c2)C[c-]2ccnc2N[C@H](C#CC[C@@H](O)C3)C2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348465 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2ccc3c(c2)[C@H]2C=C[C@H]3[C@@H](O)CC#C[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348469 KK Annotated Mild in-vitro biogenic CNC[C@H]1C#C[C@@H]2Nc3ncc[c-]3Cc3cc(ccc3C3(CCCC3)[C@@H]1O)Cc1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@@H]1C2=Cc2nc[cH-]c2[C@H]1C[C@@H]1C=Cc2c(O)cccc2CC1 ZINC000150348474 KK Annotated Mild in-vitro biogenic CNC[C@H]1C#C[C@H]2Nc3ncc[c-]3Cc3cc(ccc3C[C@H]1O)Cc1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@H]1C2=Cc2nc[cH-]c2[C@H]1C[C@@H]1C=Cc2c(O)cccc2CC1 ZINC000150348477 KK Annotated Mild in-vitro biogenic CNC[C@H]1C#C[C@H]2Nc3ncc[c-]3[C@@H]3C=C[C@H](c4ccc(cc43)Cc3cc(cc(OC4CCCC4)c3O)CCC(=O)[C@@H](CCO)C(=O)[C@@H]3C2=Cc2nc[cH-]c2[C@H]3C[C@@H]2C=Cc3c(O)cccc3CC2)[C@@H]1O ZINC000150348479 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)[C@H](C=C[C@H]3[C@H](O)Cc2ccccc2)[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348483 KK Annotated Anodyne in-vitro biogenic CCCNC[C@H]1C#C[C@H]2Nc3ncc[c-]3Cc3cc(ccc3C[C@H]1O)Cc1cc(cc(OC3CCCC3)c1O)CCC(=O)[C@@H](CCO)C(=O)[C@@H]1C2=Cc2nc[cH-]c2[C@H]1C[C@H]1C=Cc2c(O)cccc2CC1 ZINC000150348486 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C3([C@H](O)Cc4ccccc4)CCCC3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348489 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C[C@H](O)Cc3ccccc3)c(c2)[C@@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348493 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C[C@H](O)Cc3ccccc3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348494 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)C[c-]2ccnc2N[C@H](C#CC[C@@H](O)C32CCCC2)C2=Cc3nc[cH-]c3[C@@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348496 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)C[c-]2ccnc2N[C@H](C#CC[C@@H](O)C3)C2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348501 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)[C@H]2C=C[C@H]3[C@H](O)CC#C[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348503 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@@H](O)c2ccc(CCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348506 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)[C@H](C=C[C@H]3[C@H](O)Cc2ccccc2)[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348510 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C3([C@H](O)Cc4ccccc4)CCCC3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348515 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C[C@H](O)Cc3ccccc3)c(c2)[C@@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348517 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C[C@H](O)Cc3ccccc3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348518 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@@H](O)c2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348520 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)C[c-]2ccnc2N[C@H](C#CC[C@H](O)C32CCCC2)C2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348522 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2cccc(c2)[C@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348524 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)C[c-]2ccnc2N[C@H](C#CC[C@@H](O)C3)C2=Cc3nc[cH-]c3[C@@H](C[C@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000150348526 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)[C@H]2C=C[C@H]3[C@H](O)CC#C[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348530 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348532 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348535 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc3c(c2)[C@H](C=C[C@H]3CO)[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348537 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(C3(CO)CCCC3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348543 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCO)c(c2)[C@@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348547 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc([C@H](CO)CCc3ccccc3)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000150348555 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000150348560 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000150348561 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2cccc(c2)[C@H]2CC[C@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@H]2C(=O)C1 ZINC000150348564 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C(CNc2ncc[c-]2Cc2ccc(O)c(O)c2)=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000150348579 KK Annotated Clean in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@H]1C(CNc2[cH-]ccn2)=Cc2nc[cH-]c2[C@@H]1C[C@@H]1C=Cc2c(O)cccc2CC1 ZINC000150348581 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C(CNc2[cH-]ccn2)=Cc2nc[cH-]c2[C@H]1C[C@H]1CCc2cccc(O)c2CC1 ZINC000150348583 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C(CNc2[cH-]ccn2)=Cc2nc[cH-]c2[C@H]1C[C@H](O)CCc1cccc(O)c1 ZINC000150348584 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)[C@H](CCO)C(=O)[C@@H]1C(CNc2[cH-]ccn2)=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000150348585 KK Annotated Anodyne in-vitro biogenic O=C(CCc1ccc(O)c2c1CCCO2)CC(=O)[C@@H]1C(CNc2ncc[c-]2Cc2ccc(O)c(O)c2)=Cc2nc[cH-]c2[C@H]1CCCCc1cccc(O)c1 ZINC000150348587 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348597 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSCCCCCC[C@H](O)C1 ZINC000150348599 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 ZINC000150348601 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](c2ccccc2)CC[C@H]3C/N=C(\N)N[C@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 ZINC000150348604 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)C/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 ZINC000150348605 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348606 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@H]5C3)O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348607 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@@H]3C=C[C@]5(CCC[C@@H]5C3)O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSC[C@H](CCc4ccccc4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348608 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)C/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC3)CCC[C@@H](CC1)[C@H](O)C2 ZINC000150348610 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@H]5C3)O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348612 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSC[C@H](CCc2ccccc2)CCCC[C@H](O)C1 ZINC000150348613 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348614 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@]12C[C@@H]3CC[C@H]1Cc1cc(c(O)c4c1CC[C@@H]1CCC[C@@H]1O4)CN1C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H]3[C@H](O)C2)CC1=O ZINC000150348617 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSCCCCCC[C@H](O)C1 ZINC000150348618 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@@H]2C=C[C@]4(CCC[C@@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348619 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@H]3CCC[C@H]3O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSC[C@H](CCc4ccccc4)CCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348620 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 ZINC000150348622 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O ZINC000150348624 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@H]3c2ccccc2)C/N=C(\N)N[C@@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 ZINC000150348625 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O ZINC000150348626 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348627 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348628 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348630 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@H]3CCC[C@H]3O4)CN3C[C@](Cc4ccccc4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348631 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@H]3CCC[C@H]3O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348633 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@]4(CCC[C@@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 ZINC000150348635 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC2=O)[C@@H]2C#CC[C@@H]3CC[C@@]4(CCC[C@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 ZINC000150348636 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348639 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@]4(CCC[C@@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 ZINC000150348640 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O ZINC000150348642 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348645 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O ZINC000150348647 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348649 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348651 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348654 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348655 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O ZINC000150348658 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O ZINC000150348662 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O ZINC000150348666 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348670 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348673 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348676 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccccc4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348678 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@H]3CCC[C@H]3O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)NC4(CCCC4)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348681 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC2=O)[C@H]2C#CC[C@@H]3CC[C@@]4(CCC[C@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 ZINC000150348684 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@@H]3CC[C@@]4(CCC[C@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 ZINC000150348685 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348688 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348689 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O ZINC000150348693 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348696 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348697 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O ZINC000150348698 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O ZINC000150348699 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O ZINC000150348701 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000150348703 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348705 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348706 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC3CCC(CC3)CC[C@H](O)C1)CC2=O ZINC000150348707 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348708 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348710 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348711 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)NCSSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348712 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CC/N=C(\N)NCSSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348713 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000150348715 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348717 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348719 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C(=O)C[C@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C ZINC000150348720 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@H](CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C ZINC000150348722 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C(=O)C[C@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)[C@@H]2CCC(C)C ZINC000150348726 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C(=O)C[C@H](CC/N=C(\N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)[C@@H]3CCC(C)C ZINC000150348727 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CCCCCCSSCN/C(N)=N/CC[C@H]2CC(=O)N3Cc4cc(cc(OC5CCCC5)c4O)C[C@H]1CC#C[C@H](CC(C)C)[C@@H]23 ZINC000150348728 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C ZINC000150348729 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348730 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348734 KK Annotated Reactive in-vitro biogenic CCCCC[C@@H]1[C@H]2CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CCc3cc(c(O)c(OC4CCCC4)c3)CN1C(=O)C2 ZINC000150348738 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@H](CC/N=C(\N)NCSSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O ZINC000150348741 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCC[C@@H]3CC[C@@](OC(C)=O)(CC2)C[C@H]3O)CC1=O ZINC000150348745 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000150348747 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O ZINC000150348748 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O ZINC000150348749 KK Annotated Reactive in-vitro biogenic Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C(CC1=C(O)c3c(O)c4c(c5c(C)cc(O)c(c35)C1=O)O[C@@H](C)C4(C)C)=C2O ZINC000150348755 KK Annotated Mild CC(=O)O[C@H]1C[C@@H](O)CC[C@@]2([C@H](C)O)C#C[C@@H]3CCC[C@@]4(CNCCc5cccc(c5)[C@H](Cc5cc(C)cc(C)c5)C5(CCCCC5)NC(=N)NC2)C[C@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@@H]13 ZINC000150348791 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@]2([C@H](C)O)C#C[C@@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@@H]13 ZINC000150348793 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@@]2([C@H](C)O)C#C[C@@H]3CCC[C@@]4(CNCCc5cccc(c5)[C@H](Cc5cc(C)cc(C)c5)C5(CCCCC5)NC(=N)NC2)C[C@H](CCN4)Oc2cc(c(CO)cc2O)C[C@@H]13 ZINC000150348800 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@]2([C@H](C)O)C#C[C@@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@H](CCN4)Oc2cc(c(CO)cc2O)C[C@@H]13 ZINC000150348807 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](O)CC[C@]2([C@H](C)O)C#C[C@H]3CCC[C@]4(CNCCc5cccc(c5)[C@@H](Cc5cc(C)cc(C)c5)CNC(=N)NC2)C[C@H](CCN4)Oc2cc(c(CO)cc2O)C[C@H]31 ZINC000150348808 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@@H](N)c6ccc7c(c62)[C@@H](C2=CN=C6C=[N+](C=C26)[C@@H](O4)[C@H](C#C[C@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@H](O)C1 ZINC000150348905 KK Annotated Reactive in-vitro biogenic N[C@@H]1NC[C@H]2CC3(CCCC3)[C@H]3C4=CN=C5C=[N+](C=C45)[C@@H]4Oc5cc(CCC(=O)C[C@H](O)[C@H]6C=C[C@H](C7CCCCC7)C[C@H]6O)c(O)cc5OC#CC5(CCCC5)[C@@H]4C#C[C@H](O)c4ccc1c2c43 ZINC000150348910 KK Annotated Mild in-vitro biogenic N[C@@H]1NC[C@@]23C=C[C@@H]4C5=CN=C6C=[N+](C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@H]7C=C[C@@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@@H]5C#C[C@H](O)c2ccc1c3c24 ZINC000150348914 KK Annotated Reactive in-vitro biogenic N[C@@H]1NC[C@@]23CC[C@H]4C5=CN=C6C=[N+](C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 ZINC000150348916 KK Annotated Reactive in-vitro biogenic C[C@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2cc3c(cc2O)OC#CC2(CCCC2)[C@@H]2C#C[C@@H](O)c4ccc5c6c4[C@@H](C4=CN=C7C=[N+](C=C47)[C@@H]2O3)C2(CCCC2)C2(CCCC2)[C@H]6CN[C@H]5N)[C@@H](O)C1 ZINC000150348919 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2cc3c(cc2O)OC#CC2(CCCC2)[C@@H]2C#C[C@H](O)c4ccc5c6c4[C@H](C4=CN=C7C=[N+](C=C47)[C@@H]2O3)C2(CCCC2)C[C@@H]6CN[C@@H]5N)[C@H](O)C1 ZINC000150348921 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348926 KK Annotated Reactive in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348929 KK Annotated Reactive in-vitro biogenic N[C@@H]1NC[C@@H]2C=C[C@@H]3C4=CN=C5C=[N+](C=C45)[C@@H]4Oc5cc(CCC(=O)C[C@H](O)[C@@H]6C=C[C@@H](C7CCCCC7)C[C@H]6O)c(O)cc5OC#CC5(CCCC5)[C@@H]4C#C[C@@H](O)c4ccc1c2c43 ZINC000150348935 KK Annotated Mild in-vitro biogenic N[C@H]1NC[C@@H]2CC[C@H]3C4=CN=C5C=[N+](C=C45)[C@H]4Oc5cc(CCC(=O)C[C@H](O)[C@@H]6C=C[C@@H](C7CCCCC7)C[C@H]6O)c(O)cc5OC#CC5(CCCC5)[C@H]4C#C[C@H](O)c4ccc1c2c43 ZINC000150348939 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5C=[N+](C=C25)[C@@H](O4)[C@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348942 KK Annotated Reactive in-vitro biogenic N[C@H]1NC[C@@]23C=C[C@@H]4C5=CN=C6C=[N+](C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@@H](C8CCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@@H]5C#C[C@H](O)c2ccc1c3c24 ZINC000150348944 KK Annotated Reactive in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2cc3c(cc2O)OC#CC2(CCCC2)[C@@H]2C#C[C@H](O)c4ccc5c6c4[C@H](CCC6=CN[C@@H]5N)C4=CN=C5C=[N+](C=C45)[C@H]2O3)[C@H](O)C1 ZINC000150348950 KK Annotated Mild in-vitro biogenic N[C@@H]1NC[C@@H]2C=C[C@@H]3C4=CN=C5C=[N+](C=C45)[C@@H]4Oc5cc(CCC(=O)C[C@H](O)[C@H]6C=C[C@H](C7CCCC7)C[C@H]6O)c(O)cc5OC#CC5(CCCC5)[C@H]4C#C[C@@H](O)c4ccc1c2c43 ZINC000150348954 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348966 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O ZINC000150348968 KK Annotated Reactive in-vitro biogenic C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348971 KK Annotated Reactive in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)CC2=CN=C5C=[N+](C=C25)[C@@H](O4)[C@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348972 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@@H]1C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+](C=C35)[C@H]1O2)CCN[C@H]4N)[C@H](O)[C@H]1C=C[C@@H](C)C[C@@H]1O ZINC000150348975 KK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@H]2[C@@H](C#C[C@H](O)c4ccc5c6c4[C@H](CCC6=CN[C@H]5N)C4=CN=C5C=[N+]2C=C45)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000150348976 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@@H]1C#C[C@@H](O)c3ccc4c(c3CC3=CN=C5C=[N+](C=C35)[C@H]1O2)C=CN[C@H]4N)[C@H](O)[C@@H]1C=C[C@H](C)C[C@H]1O ZINC000150348978 KK Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1 ZINC000150348983 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O ZINC000150348985 KK Annotated Reactive in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@H]1C#C[C@H](O)c3ccc4c5c3[C@@H](CC[C@H]5CN[C@@H]4N)C3=CN=C4C=[N+](C=C34)[C@H]1O2 ZINC000150348986 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)C=CN[C@@H]4N)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O ZINC000150348992 KK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@H]2[C@H](C#C[C@H](O)c4ccc5c6c4[C@@H](CC[C@H]6CN[C@@H]5N)C4=CN=C5C=[N+]2C=C45)C2(C#CO3)CCCC2)CC1 ZINC000150348993 KK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@H]2[C@@H](C#C[C@H](O)c4ccc5c6c4[C@H](CCC6=CN[C@@H]5N)C4=CN=C5C=[N+]2C=C45)C2(C#CO3)CCCC2)CC1 ZINC000150348995 KK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@H]2[C@H](C#C[C@H](O)c4ccc5c(c4CC4=CN=C6C=[N+]2C=C46)C=CN[C@@H]5N)C2(C#CO3)CCCC2)CC1 ZINC000150348996 KK Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@@H]1[C@@H](C#C[C@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1 ZINC000150349002 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)C=CN[C@@H]4N)C1(C#CO2)CCCC1)[C@H](O)[C@H]1C=C[C@H](C)CC1 ZINC000150349005 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@H](O)c3ccc4c5c3[C@@H](CC[C@H]5CN[C@@H]4N)C3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1 ZINC000150349009 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@@H](C#C[C@H](O)c3ccc4c5c3[C@H](CCC5=CN[C@@H]4N)C3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1 ZINC000150349012 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@@H](C#C[C@@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)C=CN[C@@H]4N)C1(C#CO2)CCCC1 ZINC000150349014 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)C=CN[C@@H]4N)C1(C#CO2)CCCC1 ZINC000150349015 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@@H](N)c3ccc4c(c31)CC1=CN=C3C=[N+](C=C13)[C@H](CC#C[C@@H]4O)O2 ZINC000150349028 KK Annotated Reactive in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]45CCC[C@@H]4C4=C6C(=CC4)N[C@@H](N)c4cccc5c46)C3=C2)c1 ZINC000150349038 KK Annotated Anodyne in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]45CCC[C@H]4[C@@H]4CCCC6=C4c4c(cccc45)[C@H](N)N6)C3=C2)c1 ZINC000150349041 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]45CCC[C@@H]4C4=C6C(=CC4)N[C@H](N)c4cccc5c46)C3=C2)c1 ZINC000150349048 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@]45CCC[C@H]4[C@@H]4CCCC6=C4c4c(cccc45)[C@H](N)N6)C3=C2)c1 ZINC000150349050 KK Annotated Anodyne in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14CC#C[C@@]56C=C[C@](O)(CO)C[C@@]5(CCC6)CC[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349094 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56CCC[C@@]5(CC[C@@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@H]1O)C4)C[C@](O)(CO)CC6 ZINC000150349095 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14C[C@H]5C[C@@]67CCC[C@]6(C[C@@H]5[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4)C[C@](O)(CO)CC7 ZINC000150349096 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14CC#C[C@H]5CCC[C@]5(C[C@H](O)CO)CC[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349097 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@H]6CCC[C@@]6(C[C@H](O)CO)C[C@@H]5[C@@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349098 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CC[C@H](CCc4ccccc4CCO)C[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O ZINC000150349099 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@]([C@H]4C=C[C@H]5CCC[C@@]5(C[C@H](O)CO)C4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O ZINC000150349101 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@H]1C[C@]([C@H]4CC[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O ZINC000150349102 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14CC[C@@H](CC5(C[C@H](O)CO)CCCC5)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349103 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14CC[C@H](C[C@H](CCc5ccccc5)C[C@H](O)CO)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349104 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5C=C[C@]1(O)C[C@@](/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]3CC(=O)[c-]1ccnc1CC#C2)(C4)[C@@H]5CCC[C@H](O)CO ZINC000150349108 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5CC[C@]1(O)C[C@@](/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)[c-]1ccnc1CC#C2)(C4)[C@H]5CCC[C@H](O)CO ZINC000150349110 KK Annotated Reactive in-vitro biogenic C[C@H](O)C[C@H](CCc1ccccc1CCO)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2 ZINC000150349111 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14CC[C@H](CCC[C@H](O)CO)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349113 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C[C@H](O)CO)C[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 ZINC000150349116 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CCC4(C[C@H](O)CO)CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O ZINC000150349117 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O ZINC000150349120 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@H]1C[C@](CCCC[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@@H]1O ZINC000150349121 KK Annotated Reactive in-vitro biogenic C[C@H](O)C[C@H](CCc1ccccc1)C[C@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@@H]2O)C3 ZINC000150349122 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2)C[C@H](O)CO ZINC000150349123 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@]14CC[C@H](CCC[C@H](O)C5CCCC5)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 ZINC000150349124 KK Annotated Reactive in-vitro biogenic C[C@H](O)CCC[C@H]1[C@H]2C=C[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 ZINC000150349125 KK Annotated Reactive in-vitro biogenic C[C@H](O)CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 ZINC000150349126 KK Annotated Reactive in-vitro biogenic C[C@H](O)CCC[C@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 ZINC000150349127 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C[C@H](C)O)C[C@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@@H]2O)C3 ZINC000150349128 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CC[C@H](CCc4ccccc4)C[C@H](O)C4CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O ZINC000150349129 KK Annotated Reactive in-vitro biogenic C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2 ZINC000150349131 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@@H](CCC[C@H](O)CO)[C@@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(CC1)C4 ZINC000150349133 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CCCC[C@H](O)C4CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@@H]1O ZINC000150349134 KK Annotated Reactive in-vitro biogenic CC1(C[C@@H]2CC[C@]34CSSCc5cc6c(cc5C(N)N)C#CCc5ncc[c-]5C(=O)C[C@@H]6c5cc(ccc5O)CCOc5cc(ccc5O)CCC(=O)/C=C/[C@]2(C[C@H]3O)C4)CCCC1 ZINC000150349135 KK Annotated Reactive in-vitro biogenic C[C@H](CCc1ccccc1)C[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 ZINC000150349137 KK Annotated Reactive in-vitro biogenic C[C@H](O)CCCC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 ZINC000150349141 KK Annotated Reactive in-vitro biogenic CCC[C@H]1[C@H]2C=C[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 ZINC000150349143 KK Annotated Reactive in-vitro biogenic CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 ZINC000150349145 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCC4(C[C@H](O)CO)CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 ZINC000150349146 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 ZINC000150349148 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2)C[C@H](C)O ZINC000150349150 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C)C[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 ZINC000150349151 KK Annotated Reactive in-vitro biogenic CNCCCC[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 ZINC000150349152 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 ZINC000150349153 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2)C[C@H](O)CO ZINC000150349154 KK Annotated Reactive in-vitro biogenic CC1(CC[C@@]23/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@H](C2)[C@H](O)C3)CCCC1 ZINC000150349156 KK Annotated Reactive in-vitro biogenic C[C@H](CCc1ccccc1)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 ZINC000150349157 KK Annotated Reactive in-vitro biogenic C[C@H](O)CCC[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 ZINC000150349158 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 ZINC000150349159 KK Annotated Reactive in-vitro biogenic CNCCCCC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 ZINC000150349163 KK Annotated Reactive in-vitro biogenic C[C@H](O)C[C@H](CCc1ccccc1)CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 ZINC000150349166 KK Annotated Reactive in-vitro biogenic NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)C4CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 ZINC000150349170 KK Annotated Reactive in-vitro biogenic CC1(C[C@@H]2CC[C@@]34CC[C@@]2(/C=C/C(=O)CCc2ccc(O)c(c2)OCCc2ccc(O)c(c2)[C@H]2CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc52)CSSC3)C4)CCCC1 ZINC000150349174 KK Annotated Reactive in-vitro biogenic C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 ZINC000150349176 KK Annotated Reactive in-vitro biogenic C[C@H](O)CCCC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 ZINC000150349177 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@H](C)O ZINC000150349179 KK Annotated Reactive in-vitro biogenic CCC[C@@H]1[C@@H]2C=C[C@@H]3C[C@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@]3(C2)C4 ZINC000150349180 KK Annotated Reactive in-vitro biogenic CCC[C@H]1[C@H]2CC[C@H]3C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 ZINC000150349181 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C)C[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 ZINC000150349182 KK Annotated Reactive in-vitro biogenic CCC[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 ZINC000150349185 KK Annotated Reactive in-vitro biogenic CNCCCC[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 ZINC000150349188 KK Annotated Reactive in-vitro biogenic CC1(CC[C@]23/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@H](CC2)C3)CCCC1 ZINC000150349192 KK Annotated Reactive in-vitro biogenic C[C@H](CCc1ccccc1)CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 ZINC000150349193 KK Annotated Reactive in-vitro biogenic CCCC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 ZINC000150349194 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C)CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 ZINC000150349197 KK Annotated Reactive in-vitro biogenic CNCCCCC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 ZINC000150349200 KK Annotated Reactive in-vitro biogenic C[C@H](O)CN[C@H](Cc1ccccc1CCO)[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1 ZINC000150349201 KK Annotated Mild in-vitro biogenic C[C@H](CCc1ccccc1CCO)CCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CCCC1 ZINC000150349205 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1cc(CCc2ccccc2)ccc1CCO ZINC000150349209 KK Annotated Mild in-vitro biogenic CCCC[C@@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc6c(cc54)C=CN[C@H]6N)c3)c2)CC[C@H](O)C1 ZINC000150349211 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)C=CN[C@@H]5N)c2)c1)CCc1ccccc1CCO ZINC000150349213 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)C=CN[C@H]5N)c2)c1 ZINC000150349217 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1cccc(CCc2ccccc2)c1 ZINC000150349218 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc6c(cc54)C=CN[C@H]6N)c3)c2)CCCC1 ZINC000150349219 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)C=CN[C@H]5N)c2)c1)CCc1ccccc1 ZINC000150349222 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)C=CN[C@H]5N)c2)c1 ZINC000150349225 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3c4cc5c(cc4CC[C@@H]3C(=O)[c-]3ccnc3)[C@@H](N)NC=C5)c2)c1 ZINC000150349226 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc4c(c3)C=CN[C@@H]4N)c2)c1 ZINC000150349234 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc4c(c3)C=CN[C@H]4N)c2)c1 ZINC000150349237 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@@H]1CC[C@@](CCCC(=O)CC(=O)/C=C(\CO)c2cc(OCO)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)(C[C@H]2[C@@H]3NCC=C[C@H]3C[C@H]3CNCC[C@H]32)C1 ZINC000150349262 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCC[C@]2(C[C@H]3[C@H]4CCNC[C@H]4C[C@@H]4C=CCN[C@@H]34)CC[C@@H](NC[C@H](C)O)C2)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349265 KK Annotated Mild in-vitro biogenic COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)[C@]4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(=O)O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(=O)O ZINC000150349268 KK Annotated Mild COc1cc(/C(=C/C(=O)CC(=O)C[C@H]2CC[C@@H]3CCC[C@]3(C[C@@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@@H]34)C2)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349269 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H]1CC[C@](CCCC(=O)CC(=O)/C=C/c2cc(OCO)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)(C[C@@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@H]32)C1 ZINC000150349271 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@@]2(C[C@@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@@H]34)C[C@@H](NC[C@H](C)O)C3(CCCC3)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349275 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C=C/C(=O)CC(=O)C[C@@H]2CC[C@@H]3CCC[C@]3(C[C@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@H]43)C2)cn1 ZINC000150349279 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C(=C/C(=O)CC(=O)CCC[C@H](CCCO)C[C@@H]2[C@@H]3NCC=C[C@H]3C[C@H]3CNCC[C@@H]23)CO)cn1 ZINC000150349281 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCC[C@H](CCC2(O)CCCC2)C[C@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@@H]23)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349284 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCC[C@H](CCC2(O)CCCCC2)C[C@@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@H]32)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349286 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@@]2(C[C@@H]3[C@H]4CCNC[C@H]4C[C@@H]4C=CCN[C@H]43)CC[C@H](NC[C@H](C)O)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349287 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)C[C@@H]2CC[C@@H]3C4(CCCC4)CC[C@]3(C[C@@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@@H]34)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349289 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)C[C@H]2CC[C@@H]3CCC[C@]3(C[C@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@H]43)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349292 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCC[C@H](CCCO)C[C@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@@H]23)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349296 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCC2(C[C@H]3[C@H]4CCNC[C@@H]4C[C@@H]4C=CCN[C@H]34)CCCC2)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349299 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)C[C@@H]2C=C[C@H]3CCC[C@@]3(C[C@@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@@H]34)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349304 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@@]2(C[C@H]3[C@H]4CCNC[C@@H]4C[C@@H]4C=CCN[C@H]34)CC[C@@H](NC[C@H](O)C3CCCCC3)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349307 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C=C/C(=O)CC(=O)CCC[C@H](CCCO)C[C@H]2[C@@H]3NCC=C[C@H]3C[C@H]3CNCC[C@H]32)cn1 ZINC000150349309 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@H](CCC2(O)CCCC2)C[C@@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@H]32)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349310 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C=C/C(=O)CC(=O)CCCC2(C[C@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@H]43)CCCC2)cn1 ZINC000150349312 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@H](CCC2(O)CCCCC2)C[C@H]2[C@@H]3NCC=C[C@H]3C[C@H]3CNCC[C@H]32)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349314 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@]2(C[C@@H]3[C@@H]4NCC=C[C@H]4C[C@H]4CNCC[C@@H]34)CCC3(CCCC3)C2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000150349317 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](C[C@H](O)[C@H](O)C[C@H]1C#C[C@]2(CC[C@H](CC3([C@@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21)c1ccc2ccccc2c1 ZINC000150349438 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](C[C@H](O)[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](CC3([C@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000150349441 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@]1(CC[C@@H](CC3([C@H]4CN[C@@H]5CC(=O)C[C@@H](CCO)[C@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000150349446 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](C[C@H](O)[C@H](O)C[C@H]1C#C[C@@]2(CC[C@@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21)c1ccc2ccccc2c1 ZINC000150349450 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](C[C@H](O)CC[C@H]1C#C[C@@]2(CC[C@H](CC3([C@@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21)c1ccc2ccccc2c1 ZINC000150349453 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](C[C@H](O)[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](CC[C@@H]3C[C@@H]4CCC(=O)C[C@H]4NC34CCCCC4)C[C@H]1O)C(=O)CC2 ZINC000150349457 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@]1(CC[C@H](CC3([C@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000150349458 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](C[C@H](CCCO)[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000150349463 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)[C@H](CCC(C)C)[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@@H](CC3([C@@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000150349467 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](/C=C/c1ccccc1)C[C@H](O)CC[C@H]1C#C[C@@]2(CC[C@@H](CC3([C@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21 ZINC000150349475 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](C[C@H](CCO)[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000150349478 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](CC[C@H]3C[C@@H]4CCC(=O)C[C@@H]4NC34CCCCC4)C[C@H]1O)C(=O)CC2 ZINC000150349481 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)[C@H](CCC(C)C)[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000150349494 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)[C@H](CCC(C)C)[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000150349525 KK Annotated Mild in-vitro biogenic CCC[C@H]1[C@@H](O)C[C+]2C=C(C=N2)[C@H](C)CNC[C@H](O)Cc2ccc3ccc(cc3c2)Nc2cc(ccn2)C[C@@H]2C[C@@H]3C#C[C@H](c4ccccc4)c4cc(O)c(OC)cc4CCC(=O)CC(=O)[C@@H]3C[C@@H]1C2 ZINC000150349586 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(NCCCO)c2)C1 ZINC000150349587 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C1([C+]2C=C([C@H](C)CNC[C@H](C)O)C=N2)CCCCC1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000150349588 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000150349589 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](C2(c3ccnc(N)c3)CCCC2)C1 ZINC000150349590 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1)[C@@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]2C1 ZINC000150349591 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C1([C+]2C=C([C@H](C)CNC[C@H](C)O)C=N2)CCCCC1)[C@@H]1C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000150349592 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@@H]1C[C@@H]2C(=O)CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@H]2C[C@H](Cc2ccnc(N)c2)C1)[C@H](O)C1([C+]2C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N2)CCCCC1 ZINC000150349593 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)c(CCc4ccccc4)c3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000150349595 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1 ZINC000150349596 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1 ZINC000150349597 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N1 ZINC000150349598 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](C2(c3ccnc(N)c3)CCCC2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N1 ZINC000150349599 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](C2(c3ccnc(N)c3)CCCC2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1 ZINC000150349600 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@@H]1C[C@@H]2C(=O)CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@H]2C[C@H](Cc2ccnc(N)c2)C1)[C@H](O)C[C+]1C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N1 ZINC000150349603 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3c(cc(OC)c(O)c3CCc3ccccc3)CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1 ZINC000150349606 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3c(cc(OC)c(O)c3CCc3ccccc3)CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N1 ZINC000150349609 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C(C(C)C)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)c(CCc4ccccc4)c3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000150349610 KK Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@H](C[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5)[C@H](O)CCO)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000150349651 KK Annotated Mild in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(OCO)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349701 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349703 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349705 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349707 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(C4(NC)CCCC4)c2)[C@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349710 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349714 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO ZINC000150349716 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(C4(NC)CCCCC4)c2)[C@@H](O)C[C@H]1CSSC3 ZINC000150349721 KK Annotated Reactive in-vitro biogenic CCOC[C@@H]1CCC[C@@H](Oc2cc(C[C@]3(c4cc(O)cc(CNC)c4)C(=O)[C@H]4[C@@H](O)[C@H](Cc5cnc[cH-]5)Cc5ccc(O)c(OC)c5Cc5c(CC)ccc6cccc(c56)CSSC[C@@H]4C[C@H]3O)ccc2O)C1 ZINC000150349726 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(C4(NC)CCCC4)c2)[C@@H](O)C[C@H]1CSSC3 ZINC000150349729 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 ZINC000150349732 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(C4(NC)CCCCC4)c2)[C@@H](O)C[C@H]1CSSC3 ZINC000150349733 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(C4(NC)CCCC4)c2)[C@H](O)C[C@H]1CSSC3 ZINC000150349736 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 ZINC000150349738 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC ZINC000150349740 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 ZINC000150349743 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC ZINC000150349745 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1[C@H]1C=C[C@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 ZINC000150349747 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 ZINC000150349749 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC ZINC000150349751 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC ZINC000150349753 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(C4(NC)CCCCC4)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC ZINC000150349756 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(C4(NC)CCCC4)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC ZINC000150349760 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC ZINC000150349764 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC ZINC000150349770 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(OCO)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000150349774 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)c1 ZINC000150349776 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000150349780 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)[C@H]3C=C[C@@H](c4cccc5ccccc45)c4c3ccc(O)c4OC)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 ZINC000150349783 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4cccc(CCO)c34)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 ZINC000150349785 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)[C@H]2CC[C@H](O)[C@](Cc3ccc(O)c(OC)c3)(c3cc(O)cc(CNC)c3)C2=O)ccc(O)c1OC ZINC000150349787 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)[C@H]2CC[C@H](O)[C@](Cc3ccc(O)c(OC4CCCCC4)c3)(c3cc(O)cc(CNC)c3)C2=O)ccc(O)c1OC ZINC000150349789 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC ZINC000150349791 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCC3)c2)ccc(O)c1OC ZINC000150349792 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)[C@@H]2CC[C@H](O)[C@@](Cc3ccc(O)c(OC4CCCC4)c3)(c3cc(O)cc(CNC)c3)C2=O)ccc(O)c1OC ZINC000150349794 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000150349796 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 ZINC000150349798 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 ZINC000150349802 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(OCO)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000150349805 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(OCO)c(OCNC[C@H](C)O)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000150349807 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1[C@H]1C=C[C@@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cc(O)cc(CNC)c2)c2ccc(O)c(OC)c21 ZINC000150349810 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 ZINC000150349812 KK Annotated Reactive in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000150349813 KK Annotated Anodyne in-vitro biogenic CNC1(c2cc(O)cc([C@@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 ZINC000150349816 KK Annotated Reactive in-vitro biogenic CNC1(c2cc(O)cc([C@@H](Cc3ccc(O)c4c3CSSC[C@@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCC1 ZINC000150349819 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000150349820 KK Annotated Reactive in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cc(O)cc(C3(NC)CCCC3)c2)ccc(O)c1OC ZINC000150349822 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC ZINC000150349824 KK Annotated Anodyne in-vitro biogenic CNC1(c2cc(O)cc([C@@H](Cc3ccc(O)c(OCNC[C@H](C)O)c3)C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 ZINC000150349836 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@](CO)(CC2=C[CH+]N=C2)Cc2ccc(O)c(OC)c2)ccc(O)c1OC ZINC000150349840 KK Annotated Mild in-vitro biogenic CCc1ccc2ccccc2c1[C@H]1C=C[C@@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC)c2)c2ccc(O)c(OC)c21 ZINC000150349842 KK Annotated Mild in-vitro biogenic CCC1=C(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2c(CC)ccc3ccccc23)C=N[CH+]1 ZINC000150349849 KK Annotated Mild in-vitro biogenic CCCCC[C+]1C=C(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2c(CC)ccc3ccccc23)C=N1 ZINC000150349851 KK Annotated Mild in-vitro biogenic COc1cc(C[C@](CO)(CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)ccc1O ZINC000150349861 KK Annotated Mild in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)[C@H]2C=C[C@H](c3cccc4ccccc34)c3c2ccc(O)c3OC)ccc1O ZINC000150349867 KK Annotated Mild in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)ccc1O ZINC000150349874 KK Annotated Mild in-vitro biogenic CCCCC[C+]1C=C(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)C=N1 ZINC000150349880 KK Annotated Mild in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)ccc1O ZINC000150349882 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1C1(CCCCC1)c1ccc(c(N=C(N)N)c1)C[C@@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349910 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1C1(CCCC1)c1ccc(c(N=C(N)N)c1)C[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349913 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@H]3C#C[C@H](Cc4cccc-2c4)c2c(c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c24)OC[C@H](CO)Cc2ccc(cc2N=C(N)N)C[C@H]31 ZINC000150349916 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1Cc1ccc(c(N=C(N)N)c1)C[C@@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349918 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1C1(CCCCC1)c1ccc(c(CO)c1)C[C@@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349922 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@H]1Cc1ccc(c([C@@H](O)CCCO)c1)C[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349924 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@H]1Cc1ccc3c(c1)[C@H](O)C=C[C@H]3[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349926 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1Cc1ccc3c(c1)[C@H](O)CC[C@@H]3[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349929 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@H]1C1(CCCC1)c1ccc(c(CO)c1)C[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349932 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@H]3C#C[C@@H](Cc4cccc-2c4)c2c(c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c24)OC[C@H](CO)Cc2ccc(cc2CO)C[C@H]31 ZINC000150349935 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@H]1Cc1ccc(c(CO)c1)C[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349937 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@H]3C#C[C@H](Cc4cccc-2c4)c2c(c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c24)OC[C@@H](CO)Cc2ccc(cc2)C2(CCCCC2)[C@@H]31 ZINC000150349939 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@H]1C1(CCC3(CCCC3)CC1)c1ccc(cc1)C[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349941 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1C1(CCCCC1)c1ccc(cc1)C[C@@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349944 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@H]1C1(CCCC1)c1ccc(cc1)C[C@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349946 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@H]3C#C[C@H](Cc4cccc-2c4)c2c(c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c24)OC[C@@H](CO)Cc2ccc(cc2)C[C@H]31 ZINC000150349948 KK Annotated Mild in-vitro biogenic CCc1[cH-]c2c(n1)N1CCNC[C@@H]1Cc1ccc(cc1)C[C@@H](CO)COc1c(OC)c(OCC[C@@H](O)/C=C/c3ccccc3)c3c(=O)[cH-]c(-c4ccc(O)cc4)[o+]c3c1CCc1cccc-2c1 ZINC000150349950 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@@H]2C#C[C@@H]3CN(CCN3)c3nc([C@]4(C)CCCC45CCCC5)[cH-]c3-c3cccc(c3)C2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349952 KK Annotated Mild in-vitro biogenic COc1c(OCCCO)c([C@@H]2C#C[C@H]3CN(CCN3)c3nc(C4(C)CCCC4)[cH-]c3-c3cccc(c3)C2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349954 KK Annotated Mild in-vitro biogenic COc1c(OCCCO)c(CCc2cccc(-c3[cH-]c([C@@]4(C)CCCC45CCCC5)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349956 KK Annotated Anodyne in-vitro biogenic COc1c(OCCc2ccccc2)c([C@@H]2C#C[C@H]3CN(CCN3)c3nc(C4(C)CCCC4)[cH-]c3-c3cccc(c3)C2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349958 KK Annotated Mild in-vitro biogenic COc1c(OCCc2ccccc2)c(CCc2cccc(-c3[cH-]c([C@@]4(C)CCCC45CCCC5)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349965 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@@H]2C#C[C@H]3CN(CCN3)c3nc(C4(C)CCCC4)[cH-]c3-c3cccc(c3)C2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349970 KK Annotated Mild in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c([C@@]4(C)CCC[C@]45CCC[C@H]5Cc4ccccc4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349973 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c([C@@]4(C)CCCC45CCCC5)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349977 KK Annotated Anodyne in-vitro biogenic COc1c(OCCCO)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349980 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(OCCCO)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150349984 KK Annotated Mild in-vitro biogenic COc1c(OCCc2ccccc2)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349987 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(OCCc4ccccc4)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150349990 KK Annotated Mild in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OC[C@H](CO)CCCO)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150349992 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150349994 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(O)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150349997 KK Annotated Mild in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCCO)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350000 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350002 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@@H]2C#C[C@H]3CN(CCN3)c3nc(C4(C)CCCC4)[cH-]c3-c3cccc(c3)C2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000150350004 KK Annotated Mild in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350005 KK Annotated Anodyne in-vitro biogenic COc1c(OCCCO)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000150350008 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(OCCCO)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150350011 KK Annotated Mild in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCC1(O)CCCC1 ZINC000150350014 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(O)c(OC)c(OCCC4(O)CCCC4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150350016 KK Annotated Mild in-vitro biogenic COc1c(OCCc2ccccc2)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000150350019 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(OCCc4ccccc4)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150350021 KK Annotated Mild in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000150350023 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(O)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150350027 KK Annotated Mild in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCCO)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350030 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCCC4(O)CCCC4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350032 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350035 KK Annotated Anodyne in-vitro biogenic COc1c(O)c([C@@H]2C#C[C@H]3CN(CCN3)c3nc(C4(C)CCCC4)[cH-]c3-c3cccc(c3)C2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000150350038 KK Annotated Mild in-vitro biogenic COc1c(O)c(CCc2cccc(-c3[cH-]c([C@@]4(C)CCCC45CCCC5)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000150350040 KK Annotated Anodyne in-vitro biogenic COc1c(OCCc2ccccc2)c(CCc2cccc(-c3[cH-]c(C4(C)CCCC4)nc3N3CCNCC3)c2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1O ZINC000150350042 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c2c(n1)N1CCN[C@@H](C#C[C@@H](c3c(OCCc4ccccc4)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)Cc3cccc-2c3)C1 ZINC000150350044 KK Annotated Mild in-vitro biogenic COc1c(O)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCC[C@@H](O)/C=C/c1ccccc1 ZINC000150350047 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(O)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)c(N2CCNCC2)n1 ZINC000150350051 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(O)c(OC)c(OCC[C@@H](O)/C=C/c4ccccc4)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000150350057 KK Annotated Anodyne in-vitro biogenic COc1c(OCCc2ccccc2)c(CCc2cccc3c2ccc2nc[cH-]c23)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO ZINC000150350061 KK Annotated Anodyne in-vitro biogenic CCc1[cH-]c(-c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(OCCCO)c4c(=O)[cH-]c(-c5ccc(O)cc5)[o+]c34)c2)cn1 ZINC000150350066 KK Annotated Anodyne in-vitro biogenic NC[C@H]1C=C[C@H](C(=O)O)[C@@H]2[C@H]1[C@@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1cccc(CO)c1)C=C[C@H]2[C@@]1(c2ccccc2)CCC[C@H](Cc2ccc(Cc3ccccc3)c(O)c2)C1 ZINC000150350754 KK Annotated Anodyne in-vitro biogenic NC[C@@H]1C=C[C@@H](C(=O)O)[C@H]2[C@@H]1[C@@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)C=C[C@@H]2[C@]1(c2ccccc2)CCC[C@@H](Cc2ccc(Cc3ccccc3)c(O)c2)C1 ZINC000150350799 KK Annotated Anodyne in-vitro biogenic NC[C@@H]1C=C[C@H](C(=O)O)[C@H]2[C@@H]1[C@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)C=C[C@@H]2[C@@]12CCCC[C@@H]1C=Cc1ccccc12 ZINC000150350872 KK Annotated Anodyne in-vitro biogenic O=C1NCCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O ZINC000150350880 KK Annotated Mild CC1=CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000150351144 KK Annotated Mild CC[C@@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351247 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351248 KK Annotated Mild in-man endogenous CC[C@@H](C)[C@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351249 KK Annotated Mild in-man endogenous CC[C@H](C)[C@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351250 KK Annotated Mild in-man endogenous Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3c2-c2cc(O)cc(O)c2)cc1 ZINC000150351306 KK Annotated Anodyne Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3c2-c2cc(O)cc(O)c2)cc1 ZINC000150351308 KK Annotated Anodyne CCc1cc(O)cc(COc2c(O[C@@H]3O[C@H](C(=O)O)[C@@]4(O)[C@H](C5=NC=N[CH+]5)C5=C(C=Cc6ccccc6C5)[C@@]3(O)[C@@H]4O)cc3[o+]c(-c4ccc(OCC[C+]5C=CC(N)=N5)cc4)[cH-]c(=O)c3c2O)c1 ZINC000150351463 KK Annotated Mild in-vitro biogenic CCc1cc(O)cc(COc2c(O[C@@H]3O[C@H](C(=O)O)[C@@]4(O)[C@H](C5=NC=N[CH+]5)C5=C(CCc6ccccc6C5)[C@@]3(O)[C@@H]4O)cc3[o+]c(-c4ccc(OCC[C+]5C=CC(N)=N5)cc4)[cH-]c(=O)c3c2O)c1 ZINC000150351464 KK Annotated Mild in-vitro biogenic CCc1cc(O)cc(C2(Oc3c(O[C@@H]4O[C@H](C(=O)O)[C@]5(O)[C@@H](C6=NC=N[CH+]6)C(Cc6ccccc6)=C[C@@]4(O)[C@@H]5O)cc4[o+]c(-c5ccc(OCC[C+]6C=CC(N)=N6)cc5)[cH-]c(=O)c4c3O)CCCC2)c1 ZINC000150351474 KK Annotated Mild in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150351526 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000150351528 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000150351529 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150351531 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150351551 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150351552 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000150351554 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000150351555 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000150351558 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000150351559 KK Annotated Mild in-man endogenous CC(C)=CCc1c(-c2ccc(O)c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000150351561 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(-c2ccc(O)c([C@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000150351563 KK Annotated Anodyne in-man endogenous NC1=N[C+](CCOc2ccc(-c3[cH-]c(=O)c4c(O)c(OC5(c6cccc(O)c6)CCCC5)c(O[C@@H]5O[C@H](C(=O)O)[C@](O)(C6(C7=NC=N[CH+]7)CCCCC6)[C@@H](O)[C@H]5O)cc4[o+]3)cc2)C=C1 ZINC000150351605 KK Annotated Mild in-vitro biogenic CCCCCC1=C[C@]2(O)[C@H](Oc3cc4[o+]c(-c5ccc(OCC[C+]6C=CC(N)=N6)cc5)[cH-]c(=O)c4c(O)c3OCc3cc(O)cc(CC)c3)O[C@H](C(=O)O)[C@](O)([C@H]1C1=NC=N[CH+]1)[C@H]2O ZINC000150351607 KK Annotated Mild in-vitro biogenic CC[C@@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](Cc2ccccc2)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351609 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](Cc2ccccc2)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351610 KK Annotated Mild in-man endogenous CC[C@@H](C)[C@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](Cc2ccccc2)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351611 KK Annotated Mild in-man endogenous CC[C@H](C)[C@H]1/N=C(\O)[C@@H]2[C@@H](CCN2C(=O)[C@@H](Cc2ccccc2)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000150351613 KK Annotated Mild in-man endogenous COc1ccc2cc1/C=C/N=C(/O)[C@H](Cc1ccccc1)/N=C(/O)[C@@H]1[C@@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000150351614 KK Annotated Mild in-man endogenous COc1ccc2cc1/C=C/N=C(/O)[C@H](Cc1ccccc1)/N=C(/O)[C@@H]1[C@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000150351615 KK Annotated Mild in-man endogenous COc1ccc2cc1/C=C/N=C(/O)[C@H](Cc1ccccc1)/N=C(/O)[C@H]1[C@@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000150351616 KK Annotated Mild in-man endogenous COc1ccc2cc1/C=C/N=C(/O)[C@H](Cc1ccccc1)/N=C(/O)[C@H]1[C@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000150351617 KK Annotated Mild in-man endogenous CCCCC[C@@H]1C(C(=O)OCCc2ccc(N(C)C)cc2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351785 KK Annotated Anodyne CCCCC[C@H]1C(C(=O)OCCc2ccc(N(C)C)cc2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351786 KK Annotated Anodyne CCCCC[C@@H]1C(C(=O)OCCCc2ccccn2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351832 KK Annotated Anodyne CCCCC[C@H]1C(C(=O)OCCCc2ccccn2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351834 KK Annotated Anodyne CCCCC[C@@H]1C(C(=O)OCCCc2cccnc2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351835 KK Annotated Anodyne CCCCC[C@H]1C(C(=O)OCCCc2cccnc2)=C(C)N=C(C)/C1=C(/O)OCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150351836 KK Annotated Anodyne CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)C[C@@H]2CCCNCC ZINC000150351848 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)C[C@@H]2CCCNC ZINC000150351851 KK Annotated Clean in-vitro biogenic Oc1ccc([C@@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150352379 KK Annotated Anodyne in-man endogenous Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150352381 KK Annotated Anodyne in-man endogenous Oc1ccc([C@@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150352383 KK Annotated Anodyne in-man endogenous Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150352387 KK Annotated Anodyne in-man endogenous Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c([C@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000150352534 KK Annotated Clean in-man endogenous Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)c2c(c([C@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000150352536 KK Annotated Clean in-man endogenous Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000150352538 KK Annotated Clean in-man endogenous Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000150352540 KK Annotated Clean in-man endogenous CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000150352601 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccccc1)[C@]1(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150352609 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)[C@H]2[C@@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000150352688 KK Annotated Mild in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@]12C=C[C@@]3(CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@]14CC[C@@H]5c6ccccc6C=C[C@H](CCN1)[C@@H]54)[C@H]1C(=O)OC2=C13)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352760 KK Annotated Anodyne in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)C1(CCCC1)C(Cc1ccncc1)=C([C@H]1NCC[C@@H]4C=Cc5ccccc5C[C@H]14)[C@H]3C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352765 KK Annotated Anodyne in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CCCCCC14CCCC4)C1(CCCC1)C(Cc1ccncc1)=C1[C@@H]4NCCC[C@H]4Cc4ccccc4CC#C[C@@]13C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352842 KK Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@]14CC[C@H]5c6ccccc6C=C[C@H](CCN1)[C@@H]54)[C@H]3C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352881 KK Annotated Anodyne in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CC(Cc4ccncc4)=C([C@@H]4NCC[C@@H]5C=Cc6ccccc6C[C@@H]54)[C@H]3C(=O)O2)C2(CCCC2)CCCCC12CCCC2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352892 KK Annotated Anodyne in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@]12C=C[C@@]3(CCCCCC14CCCC4)CC(Cc1ccncc1)=C([C@H]1NCC[C@@H]4C=Cc5ccccc5C[C@H]14)[C@H]1C(=O)OC2=C13)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352899 KK Annotated Anodyne in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CCCCCC14CCCC4)C1(CCCC1)C(Cc1ccncc1)=C1[C@]4(NC)CC[C@H](C4)c4ccccc4CC#C[C@]31C(=O)O2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352926 KK Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@H](CC(Cc4ccncc4)=C4[C@@H]5NCCC[C@@H]5Cc5ccccc5CC#C[C@@]43C(=O)O2)C2(CCCC2)CCCCC12CCCC2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352956 KK Annotated Mild in-vitro biogenic CNCN[C@@](O)(CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CC(Cc4ccncc4)=C([C@@H]4NCCC[C@H]4Cc4ccccc4)[C@H]3C(=O)O2)C2(CCCC2)CCCCC12CCCC2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352966 KK Annotated Anodyne in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CC(Cc4ccncc4)=C4[C@H](NC)CCc5ccccc5CC#C[C@]34C(=O)O2)C2(CCCC2)CCCCC12CCCC2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352989 KK Annotated Mild in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CC(Cc4ccncc4)=C([C@@H]4NCCC[C@H]4Cc4ccccc4)[C@H]3C(=O)O2)C2(CCCC2)CCCCC12CCCC2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150352996 KK Annotated Anodyne in-vitro biogenic CNCN[C@@H](CCC(=O)N[C@@H](CS[C@H]1C2=C3[C@@H](CC(Cc4ccncc4)=C([C@H](CCc4ccccc4)NC)[C@H]3C(=O)O2)C2(CCCC2)CCCCC12CCCC2)C(=O)N[C@@H](O)C(=O)O)C(=O)O ZINC000150353038 KK Annotated Anodyne in-vitro biogenic O=C1[C@@H]2CN(C(=O)c3sc4ccccc4c3Cl)C3(CCNCC3)[C@H]2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353077 KK Annotated Anodyne O=C1[C@H]2[C@H](CN(C(=O)c3sc4ccccc4c3Cl)C23CCNCC3)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353081 KK Annotated Anodyne O=C1[C@H]2CN(C(=O)c3sc4ccccc4c3Cl)C3(CCNCC3)[C@@H]2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000150353086 KK Annotated Anodyne CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000150353089 KK Annotated Anodyne in-man endogenous CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000150353091 KK Annotated Anodyne in-man endogenous CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000150353092 KK Annotated Anodyne in-man endogenous CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000150353094 KK Annotated Anodyne in-man endogenous COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]2CN3C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000150353156 KK Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@@H]2CN3C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000150353161 KK Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)[C@@H]2C(=O)N(c4ccccc4)C(=O)[C@H]2CN3C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000150353165 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5c(O)cc(O)c6c5[C@@H]([C@@H]5c7ccc(O)cc7[C@@H](c7ccc(O)cc7)[C@H]6c6cc(O)cc(O)c65)[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150353243 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc4c5c(c3[C@@H]2c2cc(O)cc(O)c2)O[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc3c2[C@H](c2cc(O)cc5c2[C@@H]4[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000150353326 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150353330 KK Annotated Mild in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(-c3cc4ccc(O)c(CC=C(C)C)c4o3)cc2O)c1O ZINC000150353385 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150353386 KK Annotated Anodyne in-man endogenous CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000150353391 KK Annotated Mild in-man endogenous CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000150353392 KK Annotated Mild in-man endogenous CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)CC[C@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000150353462 KK Annotated Anodyne in-man endogenous CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)CC[C@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000150353463 KK Annotated Anodyne in-man endogenous CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000150353464 KK Annotated Anodyne in-man endogenous CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000150353465 KK Annotated Anodyne in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@@]1(O)[C@@H](C)CC(=O)CC1(C)C ZINC000150353748 KK Annotated Mild in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@]1(O)[C@@H](C)CC(=O)CC1(C)C ZINC000150353750 KK Annotated Mild in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@@]1(O)[C@H](C)CC(=O)CC1(C)C ZINC000150353752 KK Annotated Mild in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@]1(O)[C@H](C)CC(=O)CC1(C)C ZINC000150353753 KK Annotated Mild in-man endogenous COC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H]5CCCN5C(=O)OC)n4)cc3)cc2)=N1 ZINC000150353996 KK Annotated Anodyne COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)OC)n4)cc3)cc2)=N1 ZINC000150353998 KK Annotated Anodyne COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)OC)n4)cc3)cc2)=N1 ZINC000150353999 KK Annotated Anodyne COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)OC)n4)cc3)cc2)=N1 ZINC000150354000 KK Annotated Anodyne COC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(C4=NC([C@H]5CCCN5C(=O)[C@H](CC(C)C)NC(=O)OC)=NC4)cc3)cc2)c[nH]1 ZINC000150354001 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)c5cc(NC(=O)OC(C)(C)C)cn5C)n4)cc3)cc2)=N1 ZINC000150354003 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)c5ccccc5)n4)cc3)cc2)=N1)c1ccccc1 ZINC000150354014 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@H]5CCCN5C(=O)C5(C)COC5)n4)cc3)cc2)=N1)c1ccccc1 ZINC000150354021 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)C5(C)COC5)n4)cc3)cc2)=N1)c1ccccc1 ZINC000150354022 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@H]5CCCN5C(=O)C5(C)COC5)n4)cc3)cc2)=N1)c1ccccc1 ZINC000150354023 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@@H]1C1=NCC(c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)C5(C)COC5)n4)cc3)cc2)=N1)c1ccccc1 ZINC000150354024 KK Annotated Anodyne COc1ccc(C(=O)OC[C@@]2(C)CC[C@@]3(C)CC[C@@]4(C)C5=C(CC[C@@]4(C)[C@@H]3C2)[C@@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@@H]2CC5=O)cc1 ZINC000150354127 KK Annotated Mild in-man endogenous COc1ccc(C(=O)OC[C@]2(C)CC[C@@]3(C)CC[C@@]4(C)C5=C(CC[C@@]4(C)[C@@H]3C2)[C@@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@@H]2CC5=O)cc1 ZINC000150354128 KK Annotated Mild in-man endogenous COc1ccc(C(=O)OC[C@@]2(C)CC[C@]3(C)CC[C@@]4(C)C5=C(CC[C@@]4(C)[C@@H]3C2)[C@@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@@H]2CC5=O)cc1 ZINC000150354129 KK Annotated Mild in-man endogenous COc1ccc(C(=O)OC[C@]2(C)CC[C@]3(C)CC[C@@]4(C)C5=C(CC[C@@]4(C)[C@@H]3C2)[C@@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@@H]2CC5=O)cc1 ZINC000150354130 KK Annotated Mild in-man endogenous Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000150354176 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc4c(c2O)[C@H](c2ccc5c(c2)O[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000150354177 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000150354210 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5cc(/C=C\c6cc(O)cc7c6[C@@H](c6cc(O)cc(O)c6)[C@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150354216 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5cc(/C=C/c6cc(O)cc7c6[C@@H](c6cc(O)cc(O)c6)[C@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150354218 KK Annotated Anodyne in-vitro biogenic CC(C)(C)OC(=O)c1ccccc1C(=O)c1ccc(OCCCOC(=O)N[C@@H](Cc2cc(I)c(O)c(I)c2)C(=O)OC(C)(C)C)cc1 ZINC000150354296 KK Annotated Anodyne COc1cc2c(cc1OC)/C(=C(\C=O)c1cc3c(cc1Cc1ccc(C[C@@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2 ZINC000150355067 KK Annotated Reactive in-vitro biogenic NCCOc1ccc(/C=C/C(=O)CO[C@@]2(C(=O)O)C[C@@H](O)[C@H]3OC[C@H](CCc4ccccc4)C[C@@]45C[C@@H](C=C/C(=C\c6ccc(O)c(O)c6)C4=O)[C@@H]2[C@@]3(CNC2CCCC2)O5)cc1O ZINC000150355097 KK Annotated Mild in-vitro biogenic CC(C)C(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C3=O)c(O)c(C(=O)C(C)C)c2O)C1=O ZINC000150355131 KK Annotated Mild in-vitro biogenic NCCOc1ccc(/C=C/C(=O)CO[C@@]2(C(=O)O)C[C@@H](O)[C@H]3OC[C@@H](CCc4ccccc4)C[C@]4(C(=O)/C=C/c5ccc(O)c(O)c5)CC[C@H]2[C@@]3(CNC2CCCC2)O4)cc1O ZINC000150355147 KK Annotated Mild in-vitro biogenic O=C1C=C2[C@@H]3c4c(cc(O)cc4[C@H]4c5c(O)cc6c(c5[C@@H]5[C@H](c7ccc(O)cc7)[C@@H]1C(=O)[C@@]25[C@H]4c1ccc(O)cc1)[C@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O6)O[C@H]3c1ccc(O)cc1 ZINC000150355306 KK Annotated Mild in-vitro biogenic CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCCO[C@H](CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000150355589 KK Annotated Mild in-vitro biogenic CCCCCCCC/C=C/CCCCCCCCCCCCCCCCCCCCO[C@H](CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000150355592 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000150355998 KK Annotated Mild COC(=O)[C@H](C[C@@H]1C=NC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=N1)NCc1cc(N(C)C)cc(CN[C@@H](C[C@@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)OC)n1 ZINC000150356072 KK Annotated Anodyne COC(=O)[C@H](C[C@H]1C=NC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=N1)NCc1cc(N(C)C)cc(CN[C@@H](C[C@@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)OC)n1 ZINC000150356075 KK Annotated Anodyne COC(=O)[C@H](C[C@H]1C=NC(C(c2ccccc2)(c2ccccc2)c2ccccc2)=N1)NCc1cc(N(C)C)cc(CN[C@@H](C[C@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)OC)n1 ZINC000150356078 KK Annotated Anodyne CN(C)c1cc(CN[C@@H](C[C@@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)nc(CN[C@H](C[C@@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)c1 ZINC000150356080 KK Annotated Anodyne CN(C)c1cc(CN[C@@H](C[C@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)nc(CN[C@H](C[C@@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)c1 ZINC000150356083 KK Annotated Anodyne CN(C)c1cc(CN[C@@H](C[C@@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)nc(CN[C@H](C[C@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)c1 ZINC000150356084 KK Annotated Anodyne CN(C)c1cc(CN[C@@H](C[C@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)nc(CN[C@H](C[C@H]2C=NC(C(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)C(=O)O)c1 ZINC000150356086 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150356118 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc([C@@H]4c5c(cc(O)cc5[C@@H]5[C@@H](c6ccc(O)cc6O)[C@H](c6ccc(O)cc6)O[C@H]5c5ccc(O)cc5)O[C@H]4c4ccc(O)cc4)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000150356291 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]4[C@@H]2c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000150356292 KK Annotated Anodyne in-vitro biogenic O=C1C=C2O[C@@H](c3ccc(O)cc3)[C@H]3C2=C(C1=O)[C@@H]([C@@H]1c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2[C@H]1c1ccc(O)cc1)[C@@H](c1ccc(O)cc1)O4)[C@@H](c1ccc(O)cc1)c1c(O)cc(O)cc13 ZINC000150356294 KK Annotated Mild in-vitro biogenic CCCCCC(=O)OC[C@]12CCC(=C(C)C)[C@@H]1[C@@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)c1cccnc1 ZINC000150356311 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CC[C@]2(COC(=O)Cc3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@H]3O[C@@]3(C)C[C@H](OC(=O)c3cccnc3)[C@@H]12 ZINC000150356314 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150356994 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150356996 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150357057 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000150357059 KK Annotated Anodyne in-man CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000150357149 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000150357186 KK Annotated Reactive in-vitro biogenic Cc1cc2c(C(C)C)c(O)c(O)c(C=N)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(=O)c3c4oc5c(-c6c(C)cc7c(C(C)C)c(O)c(O)c(C=O)c7c6O)c(C)cc6c(C(C)C)c(O)c(=O)c(c(oc1c23)-n-4)c65 ZINC000150357433 KK Annotated Clean in-man C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@@H](O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150357939 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150357944 KK Annotated Mild in-vitro biogenic CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000150358344 KK Annotated Mild in-vitro biogenic CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)cc(O)c(C(=O)CCC)c3OC)c(O)c(C(=O)CCC)c2O)C1=O ZINC000150358351 KK Annotated Mild in-vitro biogenic CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)c(C)c(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000150358355 KK Annotated Mild in-vitro biogenic O=C1C=CC(=C2c3c(O)cc(O)cc3-c3c(-c4ccc(O)cc4)oc4cc(O)cc(c34)[C@H]2[C@@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)C=C1 ZINC000150358412 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2O)O[C@H]3c2cc3c(cc2O)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000150358415 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C\c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc4c(c2)[C@@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O4)O3)cc1 ZINC000150358418 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150358433 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2c3cc(O)c5c(c3[C@@H]([C@@H]2c2ccc(O)cc2)[C@@H]4c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000150358436 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)ccc2/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150358496 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(/C=C/c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)ccc2O)cc1 ZINC000150358499 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3c(O)cc([C@@H]4c5cc(/C=C/c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6)[C@@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150358502 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)c([C@@H]3c5cc(O)cc6c5[C@H](c5cc(O)cc(O)c5[C@@H]3c3ccc(O)cc3)[C@@H](c3ccc(O)cc3)O6)c2)C4)cc1 ZINC000150358505 KK Annotated Anodyne in-vitro biogenic COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000150358620 KK Annotated Mild C[C@@H]1N[C@H](CC[C@H]2CCCC3(CCCC3)CC[C@@](O)(CC(=O)O)CN[C@]3(C)C[C@@H](N)N[C@H](C3)C3(CCCCC3)c3cccc(c3)C2)[C@@H]([N+]2=CC=N[CH+]2)C[C@H]1O ZINC000150358658 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CC=C[C@@H]2CCCC[C@H]21)O3 ZINC000150358680 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CC=C[C@@H]2CCCC[C@H]21)O3 ZINC000150358683 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358685 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@H]34)[C@@H]2OC1=O ZINC000150358689 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358691 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358693 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)[C@H]2C#CC[C@@]4(C)Oc5ccc6c(CO)c([C@H](CCO)COCO)c(=O)oc6c5[C@@H](OC(=O)C[C@H]5C[C@H](c6cccc(Cc7ccccc7)c6)C=C[C@@]35CC2)[C@@H]4OC1=O ZINC000150358694 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CCC[C@H]2CCCC[C@H]21)O3 ZINC000150358699 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CCC[C@H]2CCCC[C@H]21)O3 ZINC000150358705 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4c(c2)CC[C@H]2CCCC[C@H]2[C@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358708 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4c(c2)CC[C@@H]2CCCC[C@H]2[C@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358711 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358712 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358715 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358719 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@H](c5cccc(Cc6ccccc6)c5)CC[C@H]34)[C@@H]2OC1=O ZINC000150358723 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CC=C[C@@H]2CCC[C@@H]21)O3 ZINC000150358727 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CC=C[C@@H]2CCC[C@H]21)O3 ZINC000150358731 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(C5(c6ccccc6)CCCCC5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150358734 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(C5(c6ccccc6)CCCCC5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150358737 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CCC[C@@H]2CCC[C@H]21)O3 ZINC000150358740 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@@]1(CCC[C@H]2CCC[C@@H]21)O3 ZINC000150358742 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4c(c2)CC[C@H]2CCC[C@@H]2[C@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358744 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150358747 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358750 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150358752 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@H]34)[C@@H]2OC1=O ZINC000150358755 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(C5(c6ccccc6)CCCC5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150358759 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(C5(c6ccccc6)CCCC5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150358761 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358764 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358768 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150358772 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150358775 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@]24CC[C@@H]2C#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CCc1ccc4c2c1 ZINC000150358776 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358778 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@@H]34)[C@@H]2OC1=O ZINC000150358782 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358787 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358790 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)[C@@H]2C#CC[C@@]4(C)Oc5ccc6c(CO)c([C@H](CCO)COCO)c(=O)oc6c5[C@@H](OC(=O)C[C@H]5C[C@H](c6cccc(Cc7ccccc7)c6)C=C[C@]35CC2)[C@@H]4OC1=O ZINC000150358793 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)([C@H]1CCC2(CCCC2)C1)O3 ZINC000150358796 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)([C@H]1CCC2(CCCC2)C1)O3 ZINC000150358801 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150358805 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C2CCCCC2)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358809 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150358812 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc4cc2CC#CC[C@@](C2CCCCC2)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358815 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150358818 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C2CCCC2)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358820 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150358823 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc4cc2CC#CC[C@@](C2CCCC2)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358826 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358829 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150358831 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358833 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358835 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358838 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150358842 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@@H]34)[C@@H]2OC1=O ZINC000150358845 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCC4)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@H](c5cccc(Cc6ccccc6)c5)CC[C@@H]34)[C@@H]2OC1=O ZINC000150358853 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358856 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000150358860 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150358863 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150358865 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150358869 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150358873 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@@]24CC[C@H]2C#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CCc1ccc4c2c1 ZINC000150358878 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358883 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358887 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358891 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358895 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@H]34)[C@@H]2OC1=O ZINC000150358899 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358905 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358910 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c(CCOCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150358914 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150358919 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150358924 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C2CCCCC2)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150358928 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150358932 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4cc2CC#CC[C@@](C2CCCCC2)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150358936 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150358938 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150358949 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150358954 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C2CCCC2)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150358959 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150358962 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4cc2CC#CC[C@@](C2CCCC2)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150358964 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150358968 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150358972 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358978 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150358982 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150358987 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000150358991 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150358997 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359000 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359009 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359012 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359015 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150359020 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150359024 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359027 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359029 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359031 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150359036 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@H](c5cccc(Cc6ccccc6)c5)CC[C@@H]34)[C@@H]2OC1=O ZINC000150359041 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150359045 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150359049 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359052 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359054 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359056 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359063 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359066 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359068 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359071 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359075 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359080 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359083 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359089 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359092 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359096 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359100 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359104 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359108 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359111 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359113 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359115 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359116 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359119 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359121 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359124 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359126 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359133 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359138 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359144 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359147 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359150 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359152 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359155 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359159 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359162 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359166 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359170 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359174 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359179 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359183 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359185 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359187 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359190 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359193 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359195 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359197 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000150359201 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc([C@H](CCO)COCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000150359205 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359206 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c(CCOCO)c(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000150359207 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359209 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359211 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359212 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359214 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359216 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359218 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359221 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359223 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359225 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359226 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359228 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359230 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359233 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359235 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359236 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359241 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359248 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359252 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)OC(C)(C)[C@H]2OC1=O ZINC000150359256 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)OC(C)(C)[C@H]2OC1=O ZINC000150359259 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359261 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359264 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359267 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359276 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359279 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359282 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359285 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359287 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359294 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359298 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359303 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359309 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000150359313 KK Annotated Anodyne in-vitro biogenic CCOc1cc(Nc2ccc(C)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(N(C)C)cc1 ZINC000150359316 KK Annotated Mild COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000150359318 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359321 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359324 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359330 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359332 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359334 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359343 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359348 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)cc(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150359350 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359355 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359360 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000150359368 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359380 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359382 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359386 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359391 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359395 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359405 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359414 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000150359420 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359426 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359428 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359433 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359439 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@H](c5cccc(Cc6ccccc6)c5)C=C[C@@H]34)[C@@H]2OC1=O ZINC000150359449 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359452 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@@H]34)[C@@H]2OC1=O ZINC000150359455 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000150359463 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359470 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359476 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)[C@@H]2C#CC[C@@]4(C)Oc5ccc6ccc(=O)oc6c5[C@@H](OC(=O)C[C@@H](CCc5cccc(Cc6ccccc6)c5)[C@H]3CC2)[C@@H]4OC1=O ZINC000150359480 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4ccccc4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000150359486 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)CC[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359490 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000150359496 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359513 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@@H](c3ccccc3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000150359524 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@]2(CCC4(CCCC4)C2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000150359555 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CC[C@H]2C[C@@H]3C[C@@H]4CC[C@@](O)(CC(=O)O)CN[C@@]5(C)CCN[C@@H](Cc6cccc(c6)[C@H]2c2ccc6cccc4c6c23)C5)CC[C@H]1O ZINC000150359574 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C(\O)C[C@@H](CC1CCCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359583 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C(\O)C[C@@H](C1CCCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359586 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C(\O)C[C@@H](C1CCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@@H](C)C[C@@H]42)C1 ZINC000150359589 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C(\O)C[C@@H](C)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359593 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C\C[C@@H](CCC1CCCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359597 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C(\O)C[C@@H](CCC)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@H]42)C1 ZINC000150359600 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C\C[C@@H](CC1CCCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359603 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C\C[C@@H](C1CCCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@H]42)C1 ZINC000150359608 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C\C[C@H](C1CCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@H]42)C1 ZINC000150359611 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C\C[C@@H](CCC1CCCC1)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359614 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C\C[C@@H](C)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@@H]42)C1 ZINC000150359618 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC4=C[C@@]12C(=O)O/C3=C/C[C@@H](CCC)N1C[C@@H]2C[C@@H](CN(C2)C2=CC[C@H](C)C[C@H]42)C1 ZINC000150359623 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@]23C[C@@H]4C#CC[C@H](C[C@H]5CCC[C@@H]6C=CC=C[C@H]65)C/C(O)=C/2OC(=O)[C@]13C=C4 ZINC000150359630 KK Annotated Mild in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@]23C[C@H]4C#CC[C@H](C[C@@H]5CCC[C@@H]6C=CC=C[C@H]65)C/C=C\2OC(=O)[C@]13C=C4 ZINC000150359651 KK Annotated Mild in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@@]23C=C[C@@H]4C#CC[C@H](C[C@@H]5CCC[C@@H]6C=CC=C[C@H]65)C/C=C(/OC2=O)[C@@]13C4 ZINC000150359655 KK Annotated Mild in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@@]23C=C[C@@H]4C#CC[C@H]([C@]56C=CC=C[C@H]5CCC6)C/C=C(/OC2=O)[C@@]13C4 ZINC000150359662 KK Annotated Mild in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@]12/C(=C(\O)CCC[C@@H]1CCC[C@@H]2C=CC=C[C@H]21)OC3=O ZINC000150359668 KK Annotated Anodyne in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCC2)[C@@]23C=C[C@@H]4C#CC[C@H](C[C@@H]5CCC[C@@H]6C=CC=C[C@H]65)C/C=C(/OC2=O)[C@@]13C4 ZINC000150359673 KK Annotated Mild in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCC2)[C@]23C=CCC[C@]12/C(=C(\O)CCC[C@@H]1CCC[C@@H]2C=CC=C[C@H]21)OC3=O ZINC000150359676 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CC3)C[C@@H](CCc3ccccc3)C3(CCCC3)C4)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000150359920 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCC3(CC1)C[C@@H](CC1(c4ccccc4)CCCCC1)C1(CCCC1)C3)CC[C@H]2O ZINC000150359925 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)(C1CCC4(CC1)C[C@@H](CCc1ccccc1)C1(CCCC1)C4)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000150359931 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CC[C@@](C)(C4CCC5(CC4)C[C@H](CC4(c6ccccc6)CCCCC4)C4(CCCC4)C5)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000150359935 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CC3)CC[C@@H](CC3(c5ccccc5)CCCCC3)C4)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000150359945 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCC4(CCCCC4)C(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCC3(CC1)CC[C@@H](CC1(c4ccccc4)CCCCC1)C3)CC[C@H]2O ZINC000150359953 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)(C1CCC4(CC1)CC[C@@H](CC1(c5ccccc5)CCCCC1)C4)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000150359959 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CC3)C[C@H](CC3(c5ccccc5)CCCCC3)C3(CCCC3)C4)[C@H]12 ZINC000150359967 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@]1(O)C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C4CCC5(CC4)CC[C@@H](CC4(c6ccccc6)CCCCC4)C5)CC[C@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000150359969 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CC3)CC[C@@H](CC3(c5ccccc5)CCCCC3)C4)[C@H]12 ZINC000150359973 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CC3)C[C@H](CC3(c5ccccc5)CCCCC3)C3(CCCC3)C4)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000150359978 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CC3)CC[C@@H](CC3(c5ccccc5)CCCCC3)C4)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000150359981 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CCCC4)CC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000150359999 KK Annotated Mild in-vitro biogenic COc1ccc2cc1/C=C/N=C(/O)[C@@H](Cc1ccccc1)/N=C(/O)[C@H]1[C@@H](CCN1C(=O)[C@H](Cc1ccccc1)/N=C(\O)[C@H](Cc1ccccc1)N(C)C)O2 ZINC000150360062 KK Annotated Mild in-man COc1ccc2cc1/C=C/N=C(/O)[C@@H](Cc1ccccc1)/N=C(/O)[C@H]1[C@@H](CCN1C(=O)[C@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000150360067 KK Annotated Mild in-man COc1ccc2cc1/C=C/N=C(/O)[C@@H](Cc1ccccc1)/N=C(/O)[C@H]1[C@@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@H](Cc1ccccc1)N(C)C)O2 ZINC000150360071 KK Annotated Mild in-man COc1ccc2cc1/C=C/N=C(/O)[C@@H](Cc1ccccc1)/N=C(/O)[C@H]1[C@@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000150360075 KK Annotated Mild in-man COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000150360172 KK Annotated Mild CC1(CCCc2cc([C@]34CC/C(=C\[C@@H](C(O)(O)CC=O)[C@@H](C(=O)O)[C@@]5(CC[C@@H]6C=c7ccccc7=C(O)[C@H]6C5)c5cccc(c5)C3)C[C@@H]4CCCCC[C@H](C=O)[C@@H]3C=C(CCN)CC3)ccc2O)CCCC1 ZINC000150360194 KK Annotated Mild in-vitro biogenic CC1(CCCc2cc([C@H]3Cc4cccc(c4)[C@@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@@H]5C4)[C@@H](C(=O)O)[C@H](C(O)(O)CC=O)/C=C/C[C@H]3CCCCC[C@H](C=O)[C@@H]3C=C(CCN)CC3)ccc2O)CCCC1 ZINC000150360199 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@]23CC/C(=C\[C@@H](C(O)(O)CC=O)[C@@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@H]5C4)c4cccc(c4)C2)C[C@H]3CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360203 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@@H](C(=O)O)[C@H](C(O)(O)CC=O)/C=C/C[C@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360208 KK Annotated Mild in-vitro biogenic CC1(CCCc2cc([C@H]3Cc4cccc(c4)[C@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)[C@@H](C(=O)O)[C@H](C(O)(O)CC=O)/C=C/C[C@H]3CCCCC[C@H](C=O)[C@@H]3C=C(CCN)CC3)ccc2O)CCCC1 ZINC000150360221 KK Annotated Mild in-vitro biogenic C[C@]1([C@@H]2CCCC3(CCCC3)C2)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#CCc2cc(O)ccc2C[C@@H]2C[C@@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000150360227 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/[C@H](C(O)(O)CC=O)[C@H](C(=O)O)[C@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360254 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@@H](C(=O)O)[C@H](C(O)(O)CC=O)/C=C/C[C@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360273 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@]23CC/C(=C\[C@@H](C(O)(O)CC=O)[C@@H](C(=O)O)[C@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C2)C[C@H]3CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360294 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/[C@@H](C(O)(O)CC=O)[C@@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360323 KK Annotated Mild in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@]1(C)CC[C@H]2SSC1 ZINC000150360332 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSSC[C@@H](C3)C[C@@H]12 ZINC000150360337 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@]5(C)CC[C@H](SSC5)[C@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 ZINC000150360341 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@]1(C)CC[C@H]2SSC1 ZINC000150360348 KK Annotated Reactive in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@@H](C(=O)O)[C@H](C(O)O)/C=C/C[C@@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360350 KK Annotated Mild in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#Cc3c(O)cc4cc3C[C@H]3C[C@H](C[C@@H]2[C@@H]3C1)[C@H]1CC[C@](C)(CSS1)NCc1ccccc1C4 ZINC000150360357 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@@H]4C[C@@H](CSSC[C@@H]([C@H](C)O)CCc5ccccc5Cc5cc(O)cc(c5)C45CCCCC5)C[C@@H]32)C1 ZINC000150360360 KK Annotated Reactive in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/[C@H](C(O)O)[C@H](C(=O)O)[C@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360386 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@]23CC/C(=C\[C@@H](C(O)O)[C@H](C(=O)O)[C@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C2)C[C@H]3CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360393 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/[C@H](C(O)O)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000150360398 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/[C@@H](C(O)O)[C@@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360401 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C3=C/[C@@H](CO)[C@@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360405 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C3=C\C[C@@H](C(=O)O)[C@@]45C[C@@H]6C(O)=c7ccccc7=C[C@@H]6C[C@@H]4C=Cc4ccc(cc45)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360417 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/C[C@@H](C(=O)O)[C@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360421 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/[C@H](CO)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000150360435 KK Annotated Mild in-vitro biogenic Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1NCCCCCCNC(=O)[C@@H](N)CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000150360445 KK Annotated Anodyne NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/[C@@H](CO)[C@@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360458 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C3=C/C[C@@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360493 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C3=C/C[C@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C(O)[C@@H]5C4)c4cccc(c4)C[C@@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360503 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/[C@H](CO)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000150360548 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1[C@H](CO)/C=C2/CC[C@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CC[C@@H]1C=c4ccccc4=C(O)[C@@H]1C3)[C@H](CCCCCC[C@@H]1C=C(CO)CC1)C2 ZINC000150360595 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C3=C\C[C@H](C(=O)O)[C@@]4(CC[C@@H]5C=c6ccccc6=C[C@@H]5C4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000150360620 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/C[C@H](C(=O)O)[C@]34C[C@@H]5C=c6ccccc6=C[C@@H]5C[C@H]3CCc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000150360652 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C2/CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CC[C@@H]1C=c4ccccc4=C(O)[C@H]1C3)[C@H](CCCCCC[C@@H]1C=C(CO)CC1)C2 ZINC000150360665 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C2/CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CC[C@@H]1C=c4ccccc4=C[C@@H]1C3)[C@H](CCCCCC[C@@H]1C=C(CO)CC1)C2 ZINC000150360676 KK Annotated Anodyne in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C4(CCCC4)[C@@H]4c5cc6cc7c(cc6cc5C=C[C@H]4O)CCC[C@@]13C7)[C@]2(O)OC ZINC000150360698 KK Annotated Mild in-vitro biogenic O=C(O)[C@H]1C/C=C2/CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)[C@@]13CC[C@@H]1C=c4ccccc4=C[C@@H]1C3)[C@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000150360722 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)C3(CCCCC3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=C(CCN)CC2)ccc1O ZINC000150360786 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)[C@@]3(CCCC4(CCCC4)C3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000150360803 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@H](C(=O)O)[C@]34CCCC[C@@H]3C=Cc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000150360810 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12C[C@H](O)CC1(CCCC1)C2 ZINC000150360816 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12C[C@H](O)CC1(CCCC1)C2 ZINC000150360898 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000150361417 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150361420 KK Annotated Anodyne in-man C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@@H]2OC(C)=O)C1(C)C ZINC000150361677 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)cc4[C@H]2[C@H]2c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150361833 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]4[C@H]2c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150361836 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@H]2c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150361837 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@H]2c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@@H]3c2ccc(O)cc2)cc1 ZINC000150361840 KK Annotated Anodyne in-man CC(=O)[C@]1(C(=O)Nc2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150362008 KK Annotated Reactive CC(=O)[C@]1(C(=O)c2ccccc2)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150362013 KK Annotated Reactive CC(=O)[C@@]1(C(=O)c2ccccc2)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150362015 KK Annotated Reactive CC(=O)[C@]1(C(=O)c2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150362016 KK Annotated Reactive CC(=O)[C@@]1(C(=O)c2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000150362018 KK Annotated Reactive Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150362150 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150362152 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]4[C@@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150362154 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4[C@@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150362157 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000150363345 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000150363349 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000150363354 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000150363358 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000150363373 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000150363379 KK Annotated Anodyne in-man CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C[C@@H](O)C[C@@H](Cc2cc3cnccc3s2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000150363913 KK Annotated Anodyne Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150363965 KK Annotated Anodyne in-man Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150363969 KK Annotated Anodyne in-man Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150363972 KK Annotated Anodyne in-man Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150363974 KK Annotated Anodyne in-man CCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)c(CC4=C(O)C(C)(C)C(O)=C(C(=O)CC)C4=O)c(O)c(C(=O)CC)c3O)c(O)c(C(=O)CC)c2O)C1=O ZINC000150363991 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]2c3c5c(cc(O)c3[C@H](c3ccc(O)cc3)[C@H]42)O[C@@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)cc1 ZINC000150364617 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]4[C@@H](c5ccc(O)cc5)c5c(O)cc6c(c5[C@H]24)[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)O[C@@H]3c2ccc(O)cc2)cc1 ZINC000150364622 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]2c3c5c(cc(O)c3[C@H](c3ccc(O)cc3)[C@H]42)O[C@@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)cc1 ZINC000150364625 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]2c3c5c(cc(O)c3[C@H](c3ccc(O)cc3)[C@H]42)O[C@@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)cc1 ZINC000150364629 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5c6c(cc(O)cc6[C@H]23)O[C@H]5c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150364739 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]3c5c(cc(O)cc5[C@@H]2[C@H]4c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150364741 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5c6c(cc(O)cc6[C@H]23)O[C@H]5c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150364745 KK Annotated Anodyne in-man Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]5c6c(cc(O)cc6[C@H]23)O[C@H]5c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000150364748 KK Annotated Anodyne in-man C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150364819 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150365415 KK Annotated Anodyne in-vitro biogenic CC(C)(C)c1cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@H](N)Cc4cccnc4)c3SCCN)c2)c(SCCN)c(NC(=O)[C@H](N)Cc2cccnc2)c1 ZINC000150365470 KK Annotated Anodyne CN(C)c1cc(C(C)(C)C)cc2c3[nH]c([nH]c4[nH]c([nH]c5[nH]c([nH]c6[nH]c([nH]3)c3c(N(C)C)cc(C(C)(C)C)cc63)c3c(N(C)C)cc(C(C)(C)C)cc53)c3c(N(C)C)cc(C(C)(C)C)cc43)c12 ZINC000150365521 KK Annotated Bother N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl ZINC000150366753 KK Annotated Reactive N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@](O)(C(F)(F)F)[C@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl ZINC000150366757 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@H](c2ccc(Oc3nc(-c4ccncc4)cc4ccccc34)cc2)NC1=O ZINC000150368292 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc4c5c(c3[C@@H]2c2cc(O)cc(O)c2)C[C@@H](c2ccc(O)cc2O)c2c(O)cc(O)cc2[C@@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150368767 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc4c(c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2O)C5)[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150368768 KK Annotated Anodyne in-man Oc1ccc([C@@H]2Oc3cc4c(c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2O)C5)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150368770 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc4c(c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2O)C5)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150368772 KK Annotated Anodyne in-man C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H]1O[C@@]2(C=Cc3c(cc4occc4c3OC/C=C(\C)CC[C@@H](O)C(C)(C)O)O2)OC1(C)C ZINC000150368848 KK Annotated Anodyne in-man C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H]1O[C@]2(C=Cc3c(cc4occc4c3OC/C=C(\C)CC[C@@H](O)C(C)(C)O)O2)OC1(C)C ZINC000150368852 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000150369399 KK Annotated Anodyne in-man Oc1ccc([C@@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150369401 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150369404 KK Annotated Anodyne in-man Oc1ccc([C@@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150369406 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150369632 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150369635 KK Annotated Anodyne in-man CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccn1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370979 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccn1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370983 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccn1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370985 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccn1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370987 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccn1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370989 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccn1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370991 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccn1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370993 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccn1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150370995 KK Annotated Anodyne c1ccc(-c2ccc[n+](CCCCCc3cc(CCCCC[n+]4cccc(-c5ccccc5)c4)c(CCCCC[n+]4cccc(-c5ccccc5)c4)cc3CCCCC[n+]3cccc(-c4ccccc4)c3)c2)cc1 ZINC000150374013 KK Annotated Anodyne OCCCc1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc(CCCO)c3)c(CCCCC[n+]3cccc(CCCO)c3)cc2CCCCC[n+]2cccc(CCCO)c2)c1 ZINC000150374016 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(C(C)(C)O)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374256 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(C(C)(C)O)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374260 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2csc(-c3cccnc3)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374265 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2csc(-c3cccnc3)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374269 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2csc(-c3cccnc3)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374273 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2nc3ccccc3n2C)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374277 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2nc3ccccc3n2C)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374279 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2nc3ccccc3n2C)C1=O)C(C)(C)C)C(C)(C)C ZINC000150374283 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1F ZINC000150375978 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1F ZINC000150375982 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2cccnc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150377348 KK Annotated Mild C=C1[C@@H](OC(=O)CCc2cccnc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150377353 KK Annotated Mild O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C\c3cccc(Oc4ccccc4)c3)N=C2c2ccccc2)c(N2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)N=C2c2ccccc2)c1 ZINC000150378172 KK Annotated Clean C/C(=N\Nc1ccc([125I])cn1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000150378330 KK Annotated Mild CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3[C@@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC(C)=O ZINC000150381627 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC(C)=O)[C@@H]1COC(C)=O ZINC000150381636 KK Annotated Anodyne CC[N+](CC)(CCCCCn1c(C)cc(=O)n(CCCCC[N+](CC)(CC)Cc2ccccc2[N+](=O)[O-])c1=O)Cc1ccccc1[N+](=O)[O-] ZINC000150383719 KK Annotated Bother in-vitro FC(F)(F)c1cc(NC(=S)N[C@@H](c2ccccc2)[C@H](c2ccccc2)N2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)cc(C(F)(F)F)c1 ZINC000150384328 KK Annotated Anodyne CC[N+](C)(CC)CCCNC(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150384334 KK Annotated Mild CC[N+](C)(CC)CCCNC(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F ZINC000150384336 KK Annotated Mild C=C(CC(=O)OC)C[C@]1(CC(=O)OC)C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(OC(=O)c3ccc(Br)cc3)[C@@](CC=C(C)C)(C1)C2=O ZINC000150384468 KK Annotated Mild CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCC1=CCCCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384615 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCC1=CCCCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384617 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCC1=CCCCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384619 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCC1=CCCCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384620 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)O)c(C(=O)O)c1 ZINC000150384621 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)O)c(C(=O)O)c1 ZINC000150384623 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)O)c(C(=O)O)c1 ZINC000150384625 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)O)c(C(=O)O)c1 ZINC000150384626 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCOC)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384638 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCOC)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384640 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCOC)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384642 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCOC)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384643 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384645 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384647 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384648 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384649 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384651 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384652 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384654 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384656 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384668 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384669 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384670 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384672 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc3ccccc3c2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384681 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc3ccccc3c2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384684 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc3ccccc3c2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384686 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc3ccccc3c2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384687 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccccc2-c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384691 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccccc2-c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384693 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccccc2-c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384694 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccccc2-c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384696 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384700 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384702 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384704 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(Cc1ccccc1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384706 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccc1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384707 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccc1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384708 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccc1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384709 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccc1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000150384711 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)cc1 ZINC000150384716 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)cc1 ZINC000150384717 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)cc1 ZINC000150384719 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)cc1 ZINC000150384721 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384722 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(C3CCCCC3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384723 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384725 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(C3CCCCC3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000150384726 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150384907 KK Annotated Mild COc1ccc(CNCCN(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000150385470 KK Annotated Anodyne CCC[C@@H](O)Cc1c(Br)c(O)c2c(=O)c3c(O)c(Br)c(O)c4c5c(O)c(Br)c(O)c6c(=O)c7c(O)c(Br)c(C[C@H](C)O)c8c1c2c(c34)c(c65)c78 ZINC000150385941 KK Annotated Bother CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@@H]1CC(=O)C[C@H]1c2c(ccc4c2OCO4)-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3 ZINC000150387546 KK Annotated Anodyne CCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC ZINC000150397734 KK Annotated Anodyne Brc1ccc(/C=N\c2ccc(-c3nc4ccc(-c5ccc6nc(-c7ccc(/N=C\c8ccc(Br)cc8)cc7)[nH]c6c5)cc4[nH]3)cc2)cc1 ZINC000150426609 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(O)c3c(=O)c(CC=C(C)C)c(-c4ccc(O)cc4O)oc23)c1O ZINC000150446290 KK Annotated Anodyne in-man CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000150446310 KK Annotated Anodyne in-man endogenous CCCCCN1/C(=C\C=C\c2n(CCCCC)c3cc(Cl)c(Cl)cc3[n+]2CCCC)N(CCCC)c2cc(Cl)c(Cl)cc21 ZINC000150455480 KK Annotated Clean COc1cc(/C=C2\N=C(c3ccccc3)N(c3ccc4c(c3)Sc3cc(N5C(=O)/C(=C/c6cc(OC)c(OC)c(OC)c6)N=C5c5ccccc5)ccc3N4)C2=O)cc(OC)c1OC ZINC000150481583 KK Annotated Clean COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150487871 KK Annotated Mild CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)C(=O)NCCc1scnc1C ZINC000150519298 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)NCCc1scnc1C ZINC000150519302 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)NCCc1scnc1C ZINC000150519307 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1ccccc1SCCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)C(=O)NCCc1scnc1C ZINC000150519313 KK Annotated Anodyne C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](C=C(c4cccc5cc(S(=O)(=O)O)ccc45)c4cccc5cc(S(=O)(=O)O)ccc45)CC[C@]3(C)[C@H]1CC2 ZINC000150519395 KK Annotated Anodyne C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@@H](C=C(c4cccc5cc(S(=O)(=O)O)ccc45)c4cccc5cc(S(=O)(=O)O)ccc45)CC[C@]3(C)[C@H]1CC2 ZINC000150519398 KK Annotated Anodyne C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](C=C(c4cccc5cc(S(=O)(=O)O)ccc45)c4cccc5cc(S(=O)(=O)O)ccc45)CC[C@]3(C)[C@H]1CC2 ZINC000150519400 KK Annotated Anodyne C=CCO[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](C=C(c5cccc6cc(S(=O)(=O)O)ccc56)c5cccc6cc(S(=O)(=O)O)ccc56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000150519410 KK Annotated Mild C=CCO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](C=C(c5cccc6cc(S(=O)(=O)O)ccc56)c5cccc6cc(S(=O)(=O)O)ccc56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000150519413 KK Annotated Mild C=CCO[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](C=C(c5cccc6cc(S(=O)(=O)O)ccc56)c5cccc6cc(S(=O)(=O)O)ccc56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000150519417 KK Annotated Mild NC(=O)CCCC(=O)N1C[C@H]2CC(c3ccc(CCCOc4cc(Cl)ccc4Br)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@H](C1)N2 ZINC000150519622 KK Annotated Anodyne NC(=O)CCCC(=O)N1C[C@@H]2CC(c3ccc(CCCOc4cc(Cl)ccc4Br)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@@H](C1)N2 ZINC000150519628 KK Annotated Anodyne CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)CNC(=O)C/N=C(S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1 ZINC000150519744 KK Annotated Mild CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)c1cccc(NC(=O)C/N=C(S)/N=C2\C=CC(=C3c4ccc(O)cc4Oc4cc(O)ccc43)C(C(=O)O)=C2)c1 ZINC000150519746 KK Annotated Mild C[n+]1ccc(-c2c3ccc(n3)c(-c3ccc(C(=O)NCCBr)cc3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3cccc(C(=O)NCCBr)c3)c3ccc2n3)cc1 ZINC000150520742 KK Annotated Reactive COc1ccc(S(=O)(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)CN2C(=O)[C@@H](COC(=O)Nc3ccc(Cl)cc3C(F)(F)F)N=C(c3ccccc3)c3ccccc32)cc1 ZINC000150522178 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1 ZINC000150522704 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](c2ccccc2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1 ZINC000150522706 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1)c1ccc(N[C@H](c2ccccc2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1 ZINC000150522709 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nn([C@H](Nc3ccc(S(=O)(=O)c4ccc(N[C@@H](c5ccccc5)n5nc(-c6ccc([N+](=O)[O-])cc6)oc5=S)cc4)cc3)c3ccccc3)c(=S)o2)cc1 ZINC000150522720 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nn([C@@H](Nc3ccc(S(=O)(=O)c4ccc(N[C@@H](c5ccccc5)n5nc(-c6ccc([N+](=O)[O-])cc6)oc5=S)cc4)cc3)c3ccccc3)c(=S)o2)cc1 ZINC000150522722 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nn([C@H](Nc3ccc(S(=O)(=O)c4ccc(N[C@H](c5ccccc5)n5nc(-c6ccc([N+](=O)[O-])cc6)oc5=S)cc4)cc3)c3ccccc3)c(=S)o2)cc1 ZINC000150522724 KK Annotated Bother O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(COc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(COc3ccccc3)oc2=S)cc1 ZINC000150522729 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](c2ccccc2)n2nc(COc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(COc3ccccc3)oc2=S)cc1 ZINC000150522734 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(COc3ccccc3)oc2=S)cc1)c1ccc(N[C@H](c2ccccc2)n2nc(COc3ccccc3)oc2=S)cc1 ZINC000150522735 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1 ZINC000150522740 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](c2ccccc2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1 ZINC000150522742 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1)c1ccc(N[C@H](c2ccccc2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1 ZINC000150522744 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(COc3cccc4ccccc34)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(COc3cccc4ccccc34)oc2=S)cc1 ZINC000150522747 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](c2ccccc2)n2nc(COc3cccc4ccccc34)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(COc3cccc4ccccc34)oc2=S)cc1 ZINC000150522750 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(COc3cccc4ccccc34)oc2=S)cc1)c1ccc(N[C@H](c2ccccc2)n2nc(COc3cccc4ccccc34)oc2=S)cc1 ZINC000150522753 KK Annotated Anodyne NCCc1c([C@@H](c2[nH]c3cc(Br)ccc3c2CCNC(=O)C(F)(F)F)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]c2cc(Br)ccc12 ZINC000150522773 KK Annotated Anodyne O=C(CCl)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000150522775 KK Annotated Reactive NCCc1c([C@H](c2[nH]c3cc(Br)ccc3c2CCNC(=O)C(F)(F)F)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)[nH]c2cc(Br)ccc12 ZINC000150522777 KK Annotated Anodyne O=C(Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)c5ccccc5)n4)n3NC(=O)c3ccccc3)n2NC(=O)c2ccccc2)cs1)c1ccccc1 ZINC000150522780 KK Annotated Anodyne CC(=O)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(C)=O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000150522784 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cccc23)C(F)(F)F)cc1OC(C)=O ZINC000150522824 KK Annotated Anodyne CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3c(N(C(=O)/C=C/c4ccc(OC(C)=O)c(OC(C)=O)c4)S(=O)(=O)C(F)(F)F)cccc23)cc1 ZINC000150522837 KK Annotated Anodyne Cc1ccccc1NC(=O)N(CCc1ccccc1)[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000150522842 KK Annotated Anodyne C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NS(=O)(=O)c2ccc(F)cc2)C(F)(F)[C@H]1c1ccc(OC)cc1 ZINC000150522948 KK Annotated Mild C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NS(=O)(=O)c2ccc(F)cc2)C(F)(F)[C@@H]1c1ccc(OC)cc1 ZINC000150522950 KK Annotated Mild C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NC(=S)Nc2ccc(C(F)(F)F)cc2)C(F)(F)[C@H]1c1ccc(OC)cc1 ZINC000150522954 KK Annotated Mild C=CCN1Cc2c(nn(-c3ccc(Cl)cc3Cl)c2NC(=S)Nc2ccc(C(F)(F)F)cc2)C(F)(F)[C@@H]1c1ccc(OC)cc1 ZINC000150522955 KK Annotated Mild CC1=C(CC(=O)Oc2ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc3ccc(-c4cc(=S)ss4)cc3)c2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150523143 KK Annotated Anodyne CC1=C(CC(=O)Oc2ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc3ccc(-c4cc(=S)ss4)cc3)c2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150523145 KK Annotated Anodyne CCCCCCCCCCCCCCCCS(=O)(=O)N[C@H]1C[C@H]2C(=O)N(CCN)c3ccc(C(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OC)cc3C(=O)N2C1 ZINC000150523173 KK Annotated Mild CCCCCCCCCCCCCCCCS(=O)(=O)N[C@H]1C[C@H]2C(=O)N(CCN)c3ccc(C(=O)OC(C)(C)C)cc3C(=O)N2C1 ZINC000150523177 KK Annotated Mild COc1cc2c(cc1OCCCN1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523279 KK Annotated Anodyne COc1cc2c(cc1OCCCCN1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523282 KK Annotated Anodyne COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523286 KK Annotated Anodyne COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3nc(-c4ccc(C(F)(F)F)cc4)n4ccccc34)CC1)N=C[C@@H]1CCCN1C2=O ZINC000150523288 KK Annotated Anodyne COc1ccc(-c2nc(C(=O)N3CCN(CCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)CC3)c3ccccn23)cc1 ZINC000150523291 KK Annotated Anodyne COc1ccc(-c2nc(C(=O)N3CCN(CCCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)CC3)c3ccccn23)cc1 ZINC000150523293 KK Annotated Anodyne O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H]1c2cnn(-c3ccccc3)c2-c2c(Br)sc(Br)c21 ZINC000150523615 KK Annotated Anodyne O=C(CN1CCN(Cc2ccccc2)CC1)N[C@H]1c2cnn(-c3ccccc3)c2-c2c(Br)sc(Br)c21 ZINC000150523616 KK Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1c2cnn(-c3ccccc3)c2-c2c(Br)sc(Br)c21 ZINC000150523620 KK Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1c2cnn(-c3ccccc3)c2-c2c(Br)sc(Br)c21 ZINC000150523622 KK Annotated Anodyne O=C(O)c1cc(N(Cc2ccc(C3CCNCC3)cc2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000150523666 KK Annotated Anodyne O=C(O)c1cc(N(Cc2cccc(-c3ccncc3)c2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000150523671 KK Annotated Anodyne O=C(O)c1cc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1O ZINC000150523697 KK Annotated Anodyne CCCCCCCC[n+]1ccn(Cc2cc3ccccc3c(-c3c(O)c(Cn4cc[n+](CCCCCCCC)c4)cc4ccccc34)c2O)c1 ZINC000150523743 KK Annotated Mild CCCCCCCCCCCC[n+]1ccn(Cc2cc3ccccc3c(-c3c(O)c(Cn4cc[n+](CCCCCCCCCCCC)c4)cc4ccccc34)c2O)c1 ZINC000150523746 KK Annotated Mild CCCCCCCCCCCCCCCC[n+]1ccn(Cc2cc3ccccc3c(-c3c(O)c(Cn4cc[n+](CCCCCCCCCCCCCCCC)c4)cc4ccccc34)c2O)c1 ZINC000150523748 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000150524129 KK Annotated Mild O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000150524200 KK Annotated Anodyne O=C(CCC(=O)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000150524359 KK Annotated Anodyne O=C(CCC(=O)OC[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000150524364 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000150524367 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000150524371 KK Annotated Anodyne O=C(CCC(=O)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 ZINC000150524405 KK Annotated Anodyne O=C(CCC(=O)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2)OC[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 ZINC000150524409 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1O2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000150524411 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1O2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2 ZINC000150524413 KK Annotated Anodyne CCCCn1cc[n+](Cc2cc(/C=N/[C@@H]3CCCC[C@H]3/N=C/c3cc(C[n+]4ccn(CCCC)c4)cc(C(C)(C)C)c3O)c(O)c(C(C)(C)C)c2)c1 ZINC000150524848 KK Annotated Mild CC(=O)Oc1c2c(c3c(c1CC=C(C)C)O[C@@]14C(=C[C@@H]5C[C@@H]1C(C)(C)O[C@@]4(C/C=C(\C)C(=O)O)C5=O)C3=O)O[C@](C)(CCC=C(C)C)C=C2 ZINC000150525647 KK Annotated Mild CC(=O)Oc1c2c(c3c(c1CC=C(C)C)O[C@@]14C(=C[C@@H]5C[C@@H]1C(C)(C)O[C@@]4(C/C=C(\C)C(=O)O)C5=O)C3=O)O[C@@](C)(CCC=C(C)C)C=C2 ZINC000150525648 KK Annotated Mild O=C1N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@@H](c2ccccc2)COCc2cn(nn2)CC[C@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000150525672 KK Annotated Anodyne CN1[C@H]2CC[C@H]1/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)/C2=C/c1cc(Br)c(O)c(Br)c1 ZINC000150525801 KK Annotated Mild CN1[C@@H]2CC[C@@H]1/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)/C2=C/c1cc(Br)c(O)c(Br)c1 ZINC000150525806 KK Annotated Mild O=C1N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H](c2ccccc2)COCc2cn(nn2)CC[C@@H]1Cc1ccc(C(F)(F)F)cc1 ZINC000150526086 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000150527091 KK Annotated Mild COc1cc(Br)c(C(=O)N[C@@H](Cc2cccc(Br)c2)[C@H](O)C[C@H](CCc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000150527741 KK Annotated Anodyne CC(=O)OC[C@H]1[C@@H]2CC[C@H]3[C@@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC(C)=O ZINC000150528233 KK Annotated Anodyne Brc1ccc(CNC2=CC[C@@H]3C(=C2)[C@@H]2c4cc(NCc5ccc(Br)cc5)ccc4C[C@@H]3N3CCC[C@@H]23)cc1 ZINC000150528360 KK Annotated Anodyne C=[S@](=O)(N[C@@H](CNC(=O)c1cc2c(cc1C(=O)NC)CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2)C(=O)OC(C)(C)C)c1c(Cl)sc(Cl)c1Br ZINC000150528538 KK Annotated Anodyne C=[S@@](=O)(N[C@@H](CNC(=O)c1cc2c(cc1C(=O)NC)CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2)C(=O)OC(C)(C)C)c1c(Cl)sc(Cl)c1Br ZINC000150528540 KK Annotated Anodyne C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(C)CCN(C)C(=O)c1cc2ccccc2c(-c2ccccc2I)n1)[C@@H]3C ZINC000150528649 KK Annotated Bother C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCCNC(=O)c1cc2ccccc2c(-c2ccccc2I)n1)[C@@H]3C ZINC000150528656 KK Annotated Bother COP(=O)(CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C)CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C ZINC000150529583 KK Annotated Anodyne CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(=O)NCP(=O)(CNC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)CS(=O)(=O)C(C)(C)C)C(C)C)NN ZINC000150529585 KK Annotated Anodyne C=CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](CCCCCCCCO[P@](=O)(O)OC[C@H]4C=C[C@@H](n5cc(C)c(=O)[nH]c5=O)O4)CC[C@@H]32)C1 ZINC000150529603 KK Annotated Anodyne C=CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](CCCCCCCCO[P@](=O)(O)OC[C@H]4C=C[C@H](n5cc(C)c(=O)[nH]c5=O)O4)CC[C@@H]32)C1 ZINC000150529605 KK Annotated Anodyne C=CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](CCCCCCCCO[P@](=O)(O)OC[C@@H]4C=C[C@@H](n5cc(C)c(=O)[nH]c5=O)O4)CC[C@@H]32)C1 ZINC000150529607 KK Annotated Anodyne C=CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](CCCCCCCCO[P@](=O)(O)OC[C@@H]4C=C[C@H](n5cc(C)c(=O)[nH]c5=O)O4)CC[C@@H]32)C1 ZINC000150529609 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000150529990 KK Annotated Mild CN1C/C=C\CNC(=O)Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCN(S(C)(=O)=O)CC4)cc3F)c(C3CCCCC3)c3ccc(cc32)C(=O)CS1(=O)=O ZINC000150530028 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CS(=O)(=O)NC5=O)cc2)CC1 ZINC000150530044 KK Annotated Anodyne CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccc(I)cc2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000150530728 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1ccc(cc1)-c1cccc(c1C(=O)O)-c1ccc(cc1)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000150530867 KK Annotated Anodyne C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150530927 KK Annotated Mild CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1ccc(cc1)C(=O)c1ccc2c(c1)c1cc(ccc1n2CC)C(=O)c1ccc(cc1)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000150531035 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C ZINC000150531170 KK Annotated Reactive CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C ZINC000150531172 KK Annotated Reactive CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)Nc1cc(/C=C\c2cc(OC)c3c(c2)OCO3)ccc1OC)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C ZINC000150531245 KK Annotated Anodyne CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCOc3ccc(-c4c5ccc(n5)c(-c5ccccc5)c5ccc([nH]5)c(-c5ccccc5)c5ccc(n5)c(-c5ccccc5)c5ccc4[nH]5)cc3)c2c1 ZINC000150531395 KK Annotated Bother COc1ccccc1Cc1cc(-c2ccc(Cl)cc2)n[nH]/c1=N\N=C\c1ccc(OCCOc2ccc(/C=N\N=c3\[nH]nc(-c4ccccc4OC)cc3Cc3ccc(Cl)cc3)cc2OC)c(OC)c1 ZINC000150531438 KK Annotated Mild Cc1nc(-c2nc(COc3c4cccc3Cc3cccc(c3O)Cc3cccc(c3Oc3nc(-c5nc(C)c(C(=O)O)s5)sc3C(=O)O)Cc3cccc(c3O)C4)c(C(=O)O)s2)sc1C(=O)O ZINC000150531805 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c[n+](C)c3)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc2[nH]3)cc1 ZINC000150531923 KK Annotated Clean C[N+](C)(CCCCCC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150531978 KK Annotated Mild C(#Cc1cc(C#CCCC[n+]2ccc3ccccc3c2)c(C#CCCC[n+]2ccc3ccccc3c2)cc1C#CCCC[n+]1ccc2ccccc2c1)CCC[n+]1ccc2ccccc2c1 ZINC000150532005 KK Annotated Mild C(#Cc1cc(C#CCCC[n+]2ccc3c(c2)CCCC3)c(C#CCCC[n+]2ccc3c(c2)CCCC3)cc1C#CCCC[n+]1ccc2c(c1)CCCC2)CCC[n+]1ccc2c(c1)CCCC2 ZINC000150532012 KK Annotated Mild CC/C(C)=C(\NCc1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(CN/C(C(=O)O)=C(/C)CC)c4c3O)c(O)c12)C(=O)O ZINC000150532134 KK Annotated Clean C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C ZINC000150532141 KK Annotated Mild O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(C(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)CC1 ZINC000150532299 KK Annotated Mild Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150532450 KK Annotated Anodyne COc1cc(Cc2c(OC)c(Br)c(OC)c(Cc3cc(OC)c(OC)c(Br)c3Br)c2OC)c(Br)c(Br)c1OC ZINC000150532557 KK Annotated Anodyne CCC[C@H]1C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc2ccccc2)C(=O)N(C)[C@@H](CCC)C(=O)O[C@@H](C)C(=O)N1C ZINC000150532651 KK Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N(C(=O)CNC1CCCCC1)[C@@]2(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150532841 KK Annotated Mild CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](c1ccc(OC)cc1)N(C(=O)CNC1CCCCC1)[C@@]2(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150532845 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCCCc1nc3ccccc3cc1O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150533050 KK Annotated Mild COc1ccc(CNc2nc(NCCOC(=O)CCCCc3cn(CCC(=O)N[C@H]4CCc5cc(OC)c(OC)c(OC)c5-c5ccc(OC)c(=O)cc54)nn3)nc(NCc3ccc(OC)cc3)n2)cc1 ZINC000150533144 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@H](Oc3ccc(C(C)=O)cc3)CC2)c2ncnn12 ZINC000150533205 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](Oc3ccc(C(C)=O)cc3)CC2)c2ncnn12 ZINC000150533208 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](Oc3ccc(C(C)(C)O)cc3)CC2)c2ncnn12 ZINC000150533210 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@@](C)(O)C(F)(F)F)CC2)c2ncnn12 ZINC000150533223 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](OC[C@](C)(O)C(F)(F)F)CC2)c2ncnn12 ZINC000150533225 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@H](CC)C(C)(C)O)CC2)c2ncnn12 ZINC000150533234 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@@H](CC)C(C)(C)O)CC2)c2ncnn12 ZINC000150533237 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](OC3(C(C)(C)O)CC3)CC2)c2ncnn12 ZINC000150533240 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C(O)(CF)CF)CC2)c2ncnn12 ZINC000150533242 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C(O)(CF)CF)CC2)c2ncnn12 ZINC000150533244 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@](C)(OCC(C)(C)O)CC2)c2nc(C)nn12 ZINC000150533247 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@H](C)C3(O)CCC3)CC2)c2ncnn12 ZINC000150533249 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CC[C@@H](O[C@@H](C)C3(O)CCC3)CC2)c2ncnn12 ZINC000150533251 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5C[C@@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4Cl)cc3)cc2)[nH]1)C(C)C ZINC000150533350 KK Annotated Clean COC(=O)N[C@H](C(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1c1nc(Br)c(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5C[C@@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4Br)cc3)cc2)[nH]1)C(C)C ZINC000150533352 KK Annotated Clean CCN(CC)C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4nc(C(C)C)cs4)nc4c(C)c(OC)ccc34)CN2C1=O ZINC000150533402 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CC(F)(F)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150533403 KK Annotated Anodyne COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@]1(C)CC[C@H]([C@]3(C)CO3)[C@H]6C1)C2=O ZINC000150533468 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@]1(C)CC[C@H]([C@]3(C)CO3)[C@@H]6C1)C2=O ZINC000150533470 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@]1(C)CC[C@@H]([C@]3(C)CO3)[C@H]6C1)C2=O ZINC000150533472 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@]1(C)CC[C@@H]([C@]3(C)CO3)[C@@H]6C1)C2=O ZINC000150533473 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C/C=C(\C)CO)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@@H]6C1)C2=O ZINC000150533476 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C/C=C(\C)CO)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@H]6C1)C2=O ZINC000150533478 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCCCC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150533537 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@]1(C)CCc2c(C)c(OCCC=C(c3cccc4cc(S(=O)(=O)O)ccc34)c3cccc4cc(S(=O)(=O)O)ccc34)c(C)c(C)c2O1 ZINC000150533555 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)CCc2c(C)c(OCCC=C(c3cccc4cc(S(=O)(=O)O)ccc34)c3cccc4cc(S(=O)(=O)O)ccc34)c(C)c(C)c2O1 ZINC000150533557 KK Annotated Mild O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@H]2C#CCCCCC2)cc1 ZINC000150533665 KK Annotated Reactive O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@H]2C#CCCCCC2)cc1 ZINC000150533670 KK Annotated Reactive O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@@H]2C#CCCCCC2)cc1 ZINC000150533674 KK Annotated Reactive O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@@H]2C#CCCCCC2)cc1 ZINC000150533676 KK Annotated Reactive COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCC(c6ccccc6)CC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150533678 KK Annotated Anodyne CCOC(=O)NN(OC(=O)C[C@H](c1ccccc1)[C@@]12C(=O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C(=O)C(C(=O)CC(C)C)=C2O)C(=O)OCC ZINC000150533720 KK Annotated Reactive CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000150533762 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000150533766 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000150533879 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000150533880 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000150533882 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000150533885 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000150533934 KK Annotated Anodyne CCN(C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4nc(C5CC5)cs4)nc4c(C)c(OC)ccc34)CN2C1=O)C(C)C ZINC000150533956 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N(C)C(C)(C)C)C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150533958 KK Annotated Anodyne O=C(NCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534064 KK Annotated Mild O=C(NCCCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534067 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](O)[C@]2(O)C3=O ZINC000150534129 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](O)[C@]2(O)C3=O ZINC000150534131 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](O)[C@]2(O)C3=O ZINC000150534133 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](O)[C@]2(O)C3=O ZINC000150534135 KK Annotated Mild COCC/C(SC(=O)c1ccc(CN2CCOCC2)cc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000150534145 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)OC)C4=O)C3=O ZINC000150534216 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)OC)C4=O)C3=O ZINC000150534219 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)OC)C4=O)C3=O ZINC000150534220 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12C(=C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)OC)C4=O)C3=O ZINC000150534223 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC[C@H]([C@]3(C)CO3)[C@@H]6C1)C2=O)C(=O)O ZINC000150534270 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC[C@@H]([C@]3(C)CO3)[C@@H]6C1)C2=O)C(=O)O ZINC000150534274 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC[C@H]([C@]3(C)CO3)[C@H]6C1)C2=O)C(=O)O ZINC000150534277 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC[C@@H]([C@]3(C)CO3)[C@H]6C1)C2=O)C(=O)O ZINC000150534280 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC(=O)[C@H](C(C)C)[C@@H]6C1)C2=O)C(=O)O ZINC000150534286 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC(=O)[C@@H](C(C)C)[C@@H]6C1)C2=O)C(=O)O ZINC000150534289 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC(=O)[C@H](C(C)C)[C@H]6C1)C2=O)C(=O)O ZINC000150534290 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC(=O)[C@@H](C(C)C)[C@H]6C1)C2=O)C(=O)O ZINC000150534293 KK Annotated Mild O=C(NCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534338 KK Annotated Mild O=C(NCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534340 KK Annotated Mild O=C(NCCCCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534343 KK Annotated Mild O=C(NCCCCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534346 KK Annotated Mild O=C(NCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCCCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCCCC1)C1CCCCC1 ZINC000150534352 KK Annotated Mild O=C(NCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCCCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCCCC1)C1CCCCC1 ZINC000150534356 KK Annotated Mild CN(CCN(C)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534360 KK Annotated Mild CN(CCCCCCN(C)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534380 KK Annotated Mild CN(CCCCCCN(C)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534385 KK Annotated Mild COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC(C)(C)C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c(OC)c2)cc1OC ZINC000150534388 KK Annotated Mild CN(Cc1cccc(CN(C)C(=O)N(/C(=N\C2CCCCC2)N2CCOCC2)C2CCCCC2)c1)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534389 KK Annotated Mild CN(Cc1cccc(CN(C)C(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)c1)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534395 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1c1nc(Cl)c(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5C[C@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4Cl)cc3)cc2)[nH]1)C(C)C ZINC000150534416 KK Annotated Clean C/C(=C(\CCOP(=O)(O)O)SSCc1ccccc1)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOP(=O)(O)O)SSCc1ccccc1 ZINC000150534446 KK Annotated Reactive COc1cc(/C=C\C2=C(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)[C@H](c3cc(OC)c(OC)c(OC)c3)N3C(C)=CSC3=N2)cc(OC)c1OC ZINC000150534545 KK Annotated Mild COc1cc(/C=C\C2=C(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)[C@@H](c3cc(OC)c(OC)c(OC)c3)N3C(C)=CSC3=N2)cc(OC)c1OC ZINC000150534549 KK Annotated Mild COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150534612 KK Annotated Bother COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC(C)(C)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(OC)c2)cc1OC ZINC000150534633 KK Annotated Mild O=C(NCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534646 KK Annotated Mild O=C(NCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150534647 KK Annotated Mild CN(C)c1ccc2c(-c3cc(C(=O)NCCCCCC(=O)NCCN4C(=O)CN=C(c5ccccc5F)c5cc(Cl)ccc54)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000150534687 KK Annotated Bother O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000150534706 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)CC)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O ZINC000150534801 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C[C@H]7OC7(C)C)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@@H]6C1)C2=O ZINC000150534989 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C[C@H]7OC7(C)C)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@H]6C1)C2=O ZINC000150534991 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C[C@@H]7OC7(C)C)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@@H]6C1)C2=O ZINC000150534992 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C[C@@H]7OC7(C)C)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@H]6C1)C2=O ZINC000150534995 KK Annotated Mild CC(C)(C)c1ccc2cc3c(cc2c1)-c1nc-3nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(S(=O)(=O)O)ccc41)-c1cc(S(=O)(=O)O)ccc1-3)c1cc(S(=O)(=O)O)ccc21 ZINC000150535055 KK Annotated Bother CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)[C@@H]4C[C@]56CCCN5C(=O)[C@]4(NC6=O)[C@H]4N5C(=O)[C@@]67CCCN6C(=O)[C@]56[C@@H](C7)C(C)(C)c5[nH]c7c8c(ccc7c5[C@@H]6[C@]234)OC(C)(C)C=C8)O1 ZINC000150535137 KK Annotated Anodyne CC(C)[C@@H](c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)nn1)n1cc(CCc2ccccc2)nn1 ZINC000150535140 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150535177 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC(C)(C)C(=O)Nc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)c(OC)c2)ccc1O ZINC000150535230 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150535366 KK Annotated Anodyne Cc1c(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5[C@@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4[C@@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(=O)O ZINC000150535427 KK Annotated Bother CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150535793 KK Annotated Anodyne COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150535812 KK Annotated Bother Cc1ccc(-n2c(-c3ccc(Br)cc3)cs/c2=N\N=C/c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)cc1 ZINC000150535858 KK Annotated Mild CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000150536135 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000150536137 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000150536139 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000150536141 KK Annotated Anodyne COc1ccc(CNc2nc(NCCOC(=O)CCc3cn(CCC(=O)N[C@H]4CCc5cc(OC)c(OC)c(OC)c5-c5ccc(OC)c(=O)cc54)nn3)nc(NCc3ccc(OC)cc3)n2)cc1 ZINC000150536146 KK Annotated Anodyne N=C1Sc2cc(-c3ccc(C(=O)c4ccc(COC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4)cc3)ccc2C2=NCCCN12 ZINC000150536159 KK Annotated Anodyne CCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c(=O)[nH]c1=O ZINC000150536162 KK Annotated Anodyne C1=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C\c2ccccc2OCOCCOCCOc2ccccc2/1 ZINC000150536189 KK Annotated Anodyne CCC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@@](NC(=O)c3ccc(NC(=O)CC)cc3)(C(=O)O)[C@@H]2c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 ZINC000150536235 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(C)=O)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(C)=O)cc2)C(=O)O)ccc1OC(=O)c1cccs1 ZINC000150536242 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)C(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C4CCC4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)C(C)C)cc2)C(=O)O)ccc1OC(=O)C1CCC1 ZINC000150536253 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C(C)C)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)C(C)C ZINC000150536255 KK Annotated Anodyne CC(=O)Nc1ccc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(NC(C)=O)cc3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)cc1 ZINC000150536266 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(NC(C)=O)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1NC(C)=O ZINC000150536269 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3cccc(OCc4ccccc4)c3)[C@@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000150536276 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150536395 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 ZINC000150536450 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000150536453 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000150536461 KK Annotated Reactive OC1COc2ccccc2/C=N\n2c(nnc2-c2cccnc2)SCCCSc2nnc(-c3cccnc3)n2/N=C\c2ccccc2OC1 ZINC000150536506 KK Annotated Anodyne OC1COc2ccccc2/C=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C\c2ccccc2OC1 ZINC000150536508 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NCCc1cccs1)C(=O)C(O)=C3C(C)C)/C(=C/NCCc1cccs1)C(=O)C(O)=C2C(C)C ZINC000150536563 KK Annotated Mild CC(C)(C)c1cc2c(O)c(c1)S(=O)c1cc(C(C)(C)C)cc(c1OCC(=O)O)S(=O)c1cc(C(C)(C)C)cc(c1O)S(=O)c1cc(C(C)(C)C)cc(c1OCC(=O)O)S2=O ZINC000150536636 KK Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCCCCCCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000150536860 KK Annotated Reactive CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@H](C)C(O)=C1C(=O)O ZINC000150536872 KK Annotated Clean CC1=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@H](C)C(O)=C1C(=O)O ZINC000150536875 KK Annotated Clean CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(O)=C1C(=O)O ZINC000150536878 KK Annotated Clean CC1=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(O)=C1C(=O)O ZINC000150536881 KK Annotated Clean CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)OCC3=C(Br)C(=O)c4ccccc4C3=O)c2)CC1 ZINC000150537015 KK Annotated Mild CCN(CCCCCCNC1=CC(=O)C(NCCCCCCNC(=O)CCCC[C@@H]2CCSS2)=CC1=O)Cc1ccccc1OC ZINC000150537082 KK Annotated Reactive CCN(CCCCCCNC1=CC(=O)C(NCCCCCCNC(=O)CCCC[C@H]2CCSS2)=CC1=O)Cc1ccccc1OC ZINC000150537084 KK Annotated Reactive CCCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/NCCOCCOCCCC)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000150537110 KK Annotated Mild CC[C@H]1C=CCC[C@]2(C[C@H]3CC[C@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150537114 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)C)[C@@H]2OC(C)C)C1(C)C ZINC000150537208 KK Annotated Mild C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)c(C=C)c1 ZINC000150537209 KK Annotated Mild Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(N(CCCl)CCCl)cc6)ccc5n4C)cn3C)cn2C)cc1C(=O)NCCC(=N)N ZINC000150537244 KK Annotated Reactive CC[C@H]1CCCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150537328 KK Annotated Anodyne COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)/C=C/C(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(=O)O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(=O)O ZINC000150537435 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCCSSCCCC(=O)OCCN(Cc1ccccc1)c1ccc(/C=C/C(=O)NO)cc1)CC2 ZINC000150537516 KK Annotated Reactive N=C(NCCCN(CCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 ZINC000150537531 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)NS(=O)(=O)c2ccccc2C=C)ccc1Oc1cc(-c2ccccc2)nc2cc(OC)ccc12 ZINC000150537611 KK Annotated Anodyne NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@@H](c2ccc([C@H]3C(C(=O)c4c[nH]c5ccc(Br)cc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1 ZINC000150537665 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@H](c2ccc([C@H]3C(C(=O)c4c[nH]c5ccc(Br)cc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1 ZINC000150537668 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@@H](c2ccc([C@@H]3C(C(=O)c4c[nH]c5ccc(Br)cc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1 ZINC000150537671 KK Annotated Mild COCCOC(CN/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/NCC(OCCOC)OCCOC)c4c3O)c(O)c12)OCCOC ZINC000150537767 KK Annotated Mild Cc1c(OC(=O)CCCCCNC(=O)[C@@H](N)C(C)C)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C)OC(=O)CCCCCNC(=O)[C@H](N)C(C)C ZINC000150537808 KK Annotated Anodyne CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)[C@H](C)c2ccccc2OC)=CC1=O)[C@@H](C)c1ccccc1OC ZINC000150538134 KK Annotated Mild CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)[C@@H](C)c2ccccc2OC)=CC1=O)[C@@H](C)c1ccccc1OC ZINC000150538138 KK Annotated Mild CCN(CCCCCCNC1=CC(=O)C(NCCCCCCN(CC)[C@H](C)c2ccccc2OC)=CC1=O)[C@H](C)c1ccccc1OC ZINC000150538142 KK Annotated Mild N=c1c2c([nH]c(=S)n1-c1ccccc1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000150538162 KK Annotated Mild N=c1c2c([nH]c(=S)n1-c1ccccc1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000150538165 KK Annotated Mild C[n+]1cc(-c2ccco2)cc(-c2c3ccc(n3)c(-c3cc(-c4ccco4)c[n+](C)c3)c3ccc([nH]3)c(-c3cc(-c4ccco4)c[n+](C)c3)c3ccc([nH]3)c(-c3cc(-c4ccco4)c[n+](C)c3)c3ccc2n3)c1 ZINC000150538176 KK Annotated Bother COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000150538179 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/Nc1ccc(Br)cc1)C(=O)C(O)=C3C(C)C)/C(=C/Nc1ccc(Br)cc1)C(=O)C(O)=C2C(C)C ZINC000150538190 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)=O)n3)nc2c1 ZINC000150538400 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N4C3)cc(-c3csc(NC(C)=O)n3)nc2c1 ZINC000150538408 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1 ZINC000150538422 KK Annotated Anodyne CCNc1nc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3ccc(OC)cc3n2)cs1 ZINC000150538425 KK Annotated Anodyne CNc1nc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3ccc(OC)cc3n2)cs1 ZINC000150538427 KK Annotated Anodyne C[C@@H](NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)SS[C@@H](C)NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000150538535 KK Annotated Reactive C[C@@H](NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)SS[C@H](C)NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000150538541 KK Annotated Reactive C[C@H](NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)SS[C@H](C)NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O ZINC000150538546 KK Annotated Reactive Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(c2cc([N+](=O)[O-])ccc2Cl)N(NC(=O)c2ccc(/N=C\c3ccc(N(CCC#N)S(C)(=O)=O)cc3C)cc2)C1=O ZINC000150538571 KK Annotated Mild O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCC[n+]1cnn(CC(O)(Cn2c[n+](CCCN3C(=O)c4cccc5c(Br)ccc(c45)C3=O)cn2)c2ccc(F)cc2F)c1 ZINC000150538628 KK Annotated Anodyne O=C(O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC[C@@H](C(C(=O)O)C(=O)O)CC2)cc1 ZINC000150538684 KK Annotated Anodyne c1cc2nc(c1)C[n+]1cn(c3ccccc31)Cc1cc3ccccc3nc1Oc1ccc3ccccc3c1-c1c(ccc3ccccc13)Oc1nc3ccccc3cc1Cn1c[n+](c3ccccc31)C2 ZINC000150538714 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)cc1OC ZINC000150538811 KK Annotated Bother C[N+](C)(CCC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150538856 KK Annotated Mild N=C(NCCCN(CCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000150538864 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2c(c6C)c1=O)C1=CC=C(C(=O)OC)[C@H](C(=O)OC)[C@]15C)c(CC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000150538904 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@@H](Cc3ccc(O)cc3)C(=O)OC)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000150538931 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C/C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150538941 KK Annotated Bother COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C/C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150538943 KK Annotated Bother C[N+](C)(CC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150538994 KK Annotated Mild C=CC[N+]1(CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000150539066 KK Annotated Mild C=CCC1(S(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(C=C)c2)CC1 ZINC000150539280 KK Annotated Mild CC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](OC(=O)CCC(=O)NCCCCCCNC(=O)Cc3cc(=O)oc4cc(N(C)C)ccc34)/C=C3/C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000150539293 KK Annotated Mild CC1=C[C@]2(C)/C=C(C)/C=C/C[C@@H](OC(=O)CCn3cc(CNC(=O)Cc4cc(=O)oc5cc(N(C)C)ccc45)nn3)/C=C3/C=C/C(=C4\C(=O)O[C@]2(C[C@@H]1C)C4=O)OC3 ZINC000150539296 KK Annotated Mild CC(/C=C/[C@@H]1C[C@](O)(CCl)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000150539321 KK Annotated Reactive COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)NCc5ccc(CO)c(O)c5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539348 KK Annotated Anodyne CCN(C)C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4nc(C(C)C)cs4)nc4c(C)c(OC)ccc34)CN2C1=O ZINC000150539377 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCCC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539402 KK Annotated Anodyne COc1ccc(-n2nc3c4ccccc4n([C@H]4O[C@@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000150539523 KK Annotated Anodyne COc1ccc(-n2nc3c4ccccc4n([C@@H]4O[C@@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000150539525 KK Annotated Anodyne COc1ccc(-n2nc3c4ccccc4n([C@H]4O[C@@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000150539528 KK Annotated Anodyne COc1ccc(-n2nc3c4ccccc4n([C@@H]4O[C@@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000150539530 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1ccc(cc1)-c1cccc(c1)-c1ccc(cc1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O ZINC000150539587 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCC(C)(C)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539633 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCC(CC(=O)O)CC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539637 KK Annotated Anodyne C[N+](C)(C)Cc1cc(-c2c3ccc(n3)c(-c3ccc(O)c(C[N+](C)(C)C)c3)c3ccc([nH]3)c(-c3ccc(O)c(C[N+](C)(C)C)c3)c3ccc(n3)c(-c3ccc(O)c(C[N+](C)(C)C)c3)c3ccc2[nH]3)ccc1O ZINC000150539641 KK Annotated Clean CC(=O)Nc1nc(Cl)c2c(ncn2[C@@H]2O[C@@H]([C@H](N=[N+]=[N-])C(=O)OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@]3(OCc4ccccc4)[C@@H](OCc4ccccc4)CO[C@@H]23)n1 ZINC000150539717 KK Annotated Clean CC(=O)Nc1nc(Cl)c2c(ncn2[C@@H]2O[C@@H]([C@@H](N=[N+]=[N-])C(=O)OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@]3(OCc4ccccc4)[C@@H](OCc4ccccc4)CO[C@@H]23)n1 ZINC000150539724 KK Annotated Clean COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5C[C@H]6CCC[C@H]6C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539833 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5C[C@H]6CCC[C@@H]6C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539834 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5C[C@@H]6CCC[C@H]6C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150539836 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@@H](Cc3ccccc3)C(=O)OC)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000150539843 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)C(O)=C2C(C)C ZINC000150539868 KK Annotated Mild O=S(=O)(O)OC(=C\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)/C(=C/c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)OS(=O)(=O)O ZINC000150539883 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)O)cc6c5C(=O)OC(C)(C)C)cc4c3C(=O)OCC)cc12 ZINC000150539908 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)O)cc6c5C(=O)OCCOC)cc4c3C(=O)OCC)cc12 ZINC000150539911 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OCC)c(OS(=O)(=O)O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 ZINC000150539912 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC(C)C)c(OS(=O)(=O)O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 ZINC000150539916 KK Annotated Anodyne O[C@@H](CNCCNC[C@H](O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1)COC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150539976 KK Annotated Anodyne C[N+](C)(C)CCCOc1ccc(-c2c3ccc(n3)c(-c3ccc(C(F)(F)F)cc3)c3ccc([nH]3)c(-c3ccc(OCCC[N+](C)(C)C)cc3)c3ccc(n3)c(-c3ccc(C(F)(F)F)cc3)c3ccc2[nH]3)cc1 ZINC000150539998 KK Annotated Bother COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O[C@@H]5O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000150540050 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O[C@@H]5OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000150540052 KK Annotated Anodyne CC1=CSC2=NC(/C=C/c3ccc(OCc4ccccc4)cc3)=C(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000150540066 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(OCc4ccccc4)cc3)=C(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000150540067 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(OCc4ccccc4)cc3)=C(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)[C@H](c3ccccc3)N12 ZINC000150540095 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(OCc4ccccc4)cc3)=C(C(=O)/C=C/c3ccc(OCc4ccccc4)cc3)[C@@H](c3ccccc3)N12 ZINC000150540097 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3cc(OC)c(OC)c(OC)c3)N=C3SC=C(C)N3[C@H]2c2ccccc2)cc(OC)c1OC ZINC000150540101 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3cc(OC)c(OC)c(OC)c3)N=C3SC=C(C)N3[C@@H]2c2ccccc2)cc(OC)c1OC ZINC000150540103 KK Annotated Mild O=C(/C=C(\O)c1cccc(Cc2ccccc2F)c1)C(=O)N1CCN(C(=O)C(=O)/C=C(\O)c2cccc(Cc3ccccc3F)c2)CC1 ZINC000150540142 KK Annotated Mild O=C(/C=C(\O)c1cccc(Cc2ccccc2F)c1)C(=O)NCCCCCNC(=O)C(=O)/C=C(\O)c1cccc(Cc2ccccc2F)c1 ZINC000150540144 KK Annotated Mild O=C(/C=C(\O)c1cccc(Cc2ccccc2F)c1)C(=O)NCCCNC(=O)C(=O)/C=C(\O)c1cccc(Cc2ccccc2F)c1 ZINC000150540148 KK Annotated Mild O=C(/C=C(\O)c1cccc(Cc2ccccc2F)c1)C(=O)NCCCCCCNC(=O)C(=O)/C=C(\O)c1cccc(Cc2ccccc2F)c1 ZINC000150540151 KK Annotated Mild C=Cc1cc([C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@H](CCC)C(=O)NS(=O)(=O)c2ccccc2)ccc1Oc1cc(-c2ccccc2)nc2cc(OC)ccc12 ZINC000150540173 KK Annotated Anodyne C=CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 ZINC000150540243 KK Annotated Mild O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])Nc1cc3c(cc1-2)N[C@H](c1ccccc1[N+](=O)[O-])c1c-3[nH]c(=S)[nH]c1=O ZINC000150540321 KK Annotated Bother O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])Nc1cc3c(cc1-2)N[C@@H](c1ccccc1[N+](=O)[O-])c1c-3[nH]c(=S)[nH]c1=O ZINC000150540325 KK Annotated Bother O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])Nc1cc3c(cc1-2)N[C@H](c1ccccc1[N+](=O)[O-])c1c-3[nH]c(=S)[nH]c1=O ZINC000150540328 KK Annotated Bother CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCC(COCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCCF)nc2)cc1 ZINC000150540376 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O[C@H]5O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]5OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000150540386 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(Sc2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150540408 KK Annotated Anodyne O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S)N1C(=O)CC(=O)N(c2ccc(Cl)cc2)C1=S ZINC000150540470 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCC(N6CCCC6)CC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150540479 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N5CCN(C6CCCC6)CC5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150540484 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150540516 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150540519 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@@H](C(=O)N[C@@H](CC(F)F)C(=O)NCCc4c(F)cc(C(=O)O)cc4F)N(C(=O)[C@@H](NC(=O)OCC(C)C)C(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150540526 KK Annotated Anodyne C=CCc1ccccc1S(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)c(C=C)c1 ZINC000150540539 KK Annotated Mild C[N+](C)(C)Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C[N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C[N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C[N+](C)(C)C)cc3)c3ccc2n3)cc1 ZINC000150540600 KK Annotated Bother Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NCCc1ccccc1)C(=O)C(O)=C3C(C)C)/C(=C/NCCc1ccccc1)C(=O)C(O)=C2C(C)C ZINC000150540651 KK Annotated Mild COc1c(C[C@H](C)OC(=O)c2c(C)cc(O)cc2O)c2c3c(C[C@@H](C)OC(=O)c4c(C)cc(O)cc4O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43 ZINC000150540690 KK Annotated Bother COc1c(C[C@@H](C)OC(=O)c2c(C)cc(O)cc2O)c2c3c(C[C@@H](C)OC(=O)c4c(C)cc(O)cc4O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43 ZINC000150540693 KK Annotated Bother COc1c(C[C@H](C)OC(=O)c2c(C)cc(O)cc2O)c2c3c(C[C@H](C)OC(=O)c4c(C)cc(O)cc4O)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43 ZINC000150540695 KK Annotated Bother O=S(=O)(c1ccc(NC2=N[C@@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1)c1ccc(NC2=N[C@@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1 ZINC000150540725 KK Annotated Clean O=S(=O)(c1ccc(NC2=N[C@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1)c1ccc(NC2=N[C@@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1 ZINC000150540732 KK Annotated Clean O=S(=O)(c1ccc(NC2=N[C@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1)c1ccc(NC2=N[C@](c3ccc(O)cc3)(c3ccccc3O)c3ccccc32)cc1 ZINC000150540738 KK Annotated Clean CCCC(=O)N[C@@H](C(C)C)[C@@H](CC(=O)O[C@@H]1COC(=O)c2csc(n2)[C@@H]([C@@](C)(O)CC)OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)OC(C)=O ZINC000150540816 KK Annotated Anodyne COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCOC(=O)CC(F)(F)C(=O)OCCC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000150540827 KK Annotated Bother C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCCCc1nc3ccc(OC)cc3cc1O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150540847 KK Annotated Mild CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(OCc1ccccc1)c2OC ZINC000150540868 KK Annotated Mild CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(OCc1ccccc1)c2OC ZINC000150540872 KK Annotated Mild Cc1ccc(S(=O)(=O)n2cc(-c3cc(C(F)(F)F)cc(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5cc(Br)ccc45)n3)c3ccc(Br)cc32)cc1 ZINC000150540968 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C(\F)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150540998 KK Annotated Bother COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150541001 KK Annotated Bother CNc1ccc(/C=C/c2ccc(OCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOc3ccc(/C=C/c4ccc(NC)cc4)cn3)OCCF)nc2)cc1 ZINC000150541046 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N(C(C)C)C(C)C)C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150541062 KK Annotated Anodyne Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(N(CCCl)CCCl)cc6)ccc5o4)cn3C)cn2C)cc1C(=O)NCCC(=N)N ZINC000150541213 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@H](c2ccc(Oc3nc(Cl)cc4ccccc34)cc2)NC1=O ZINC000150541286 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@H](C(=O)NCC(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C ZINC000150541435 KK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC4CCN(CCCC(=O)c5ccccc5C)CC4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000150541464 KK Annotated Bother COc1ccc2c(Oc3ccc([C@@H]4NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)c5ccccc5)NC4=O)cc3)cc(-c3ccccc3)nc2c1 ZINC000150541522 KK Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]43)N2)O1 ZINC000150541536 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@@]5(C(=O)NS(=O)(=O)C6CC6)C[C@@H]5/C=C/CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150541665 KK Annotated Anodyne COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(OC)c(C)c(OC)c(O)c4[C@H](CNC(=O)c4ccc(CNS(=O)(=O)c5cccc6c(N(C)C)cccc56)cc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000150541684 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)N(C)C(C)C)C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150541690 KK Annotated Anodyne O=C1CC/C=C\COc2ccccc2[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]2C[C@@H]3[C@@H](OC(=O)c4ccccc4)c4c(cccc4C(=O)N3C2)CO1 ZINC000150541782 KK Annotated Anodyne CCCCNC(=O)CCC(=O)NCCCCCCn1cc(COc2ccc(/C=C/C(O)=C/C(=O)/C=C/c3ccc(O)c(OC)c3)cc2OC)nn1 ZINC000150541804 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H](CO)Cc1ccccc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](CO)Cc1ccccc1)C(=O)C(O)=C2C(C)C ZINC000150541834 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc5c(c3[C@H]4[C@H]2c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000150541859 KK Annotated Anodyne CCCCNC(=O)CCC(=O)NCCCCCCn1cc(C/C(C(=O)/C=C/c2ccc(O)c(OC)c2)=C(O)\C=C\c2ccc(O)c(OC)c2)nn1 ZINC000150541989 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)/C=C/c4ccc(C(=O)Oc5ccccc5)cc4)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@]13OC(C)=O ZINC000150542309 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)Oc2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150542322 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O[C@@H]5O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]5OC(C)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000150542326 KK Annotated Anodyne C=C(CC(=O)OC)C[C@@]1(CC(=O)OC)C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C1)C(=O)C(C(=O)c1ccccc1)=C2OC(=O)c1ccc(Br)cc1 ZINC000150542353 KK Annotated Mild C[C@H]1N=c2c(cc3c(c2S(=O)(=O)O)Oc2c(cc4c(c2S(=O)(=O)O)N[C@H](C)C4(C)C)C=3c2ccc(C(=O)NCCN3C(=O)CN=C(c4ccccc4F)c4cc(Cl)ccc43)cc2)C1(C)C ZINC000150542534 KK Annotated Anodyne C[C@@H]1Nc2c(cc3c(c2S(=O)(=O)O)Oc2c(S(=O)(=O)O)c4c(cc2=C3c2ccc(C(=O)NCCN3C(=O)CN=C(c5ccccc5F)c5cc(Cl)ccc53)cc2)C(C)(C)[C@@H](C)N=4)C1(C)C ZINC000150542536 KK Annotated Anodyne C[C@@H]1N=c2c(cc3c(c2S(=O)(=O)O)Oc2c(cc4c(c2S(=O)(=O)O)N[C@H](C)C4(C)C)C=3c2ccc(C(=O)NCCN3C(=O)CN=C(c4ccccc4F)c4cc(Cl)ccc43)cc2)C1(C)C ZINC000150542539 KK Annotated Anodyne C[C@@H]1N=c2c(cc3c(c2S(=O)(=O)O)Oc2c(cc4c(c2S(=O)(=O)O)N[C@@H](C)C4(C)C)C=3c2ccc(C(=O)NCCN3C(=O)CN=C(c4ccccc4F)c4cc(Cl)ccc43)cc2)C1(C)C ZINC000150542540 KK Annotated Anodyne O=C1N=C(NCCCCCCCNC2=NC(=O)/C(=C/c3cc(Br)c(O)c(Br)c3)S2)S/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000150542543 KK Annotated Clean CC1=CSC2=NC(/C=C/c3ccc(Br)cc3)=C(C(=O)/C=C/c3ccc(Br)cc3)[C@H](c3ccc(Cl)cc3)N12 ZINC000150542654 KK Annotated Mild CC1=CSC2=NC(/C=C/c3ccc(Br)cc3)=C(C(=O)/C=C/c3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3)N12 ZINC000150542656 KK Annotated Mild O=C(O)c1c(F)c(F)c(F)c(F)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 ZINC000150543083 KK Annotated Bother COCc1ccc(-c2cc3nc2ccc2[nH]c(cc2-c2ccc(C[n+]4ccccc4)cc2)c2cc(-c4ccc(C[n+]5ccccc5)cc4)c(ccc4[nH]c3cc4-c3ccc(C[n+]4ccccc4)cc3)n2)cc1 ZINC000150543190 KK Annotated Bother c1cc[n+](Cc2ccc(-c3c4ccc(n4)c(-c4ccc(C[n+]5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(C[n+]5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(C[n+]5ccccc5)cc4)c4ccc3n4)cc2)cc1 ZINC000150543207 KK Annotated Bother c1cc[n+](Cc2ccc(-c3c4c[nH]c(c4)c(-c4ccc(C[n+]5ccccc5)cc4)c4ccc(n4)c(-c4ccc(C[n+]5ccccc5)cc4)c4ccc([nH]4)c(-c4ccc(C[n+]5ccccc5)cc4)c4ccc3n4)cc2)cc1 ZINC000150543220 KK Annotated Bother CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2)=NN1Cc1cccc(CN2N=C(C(=O)c3ccccc3)CC2(P(=O)(OCC)OCC)P(=O)(OCC)OCC)c1 ZINC000150543393 KK Annotated Anodyne COc1ccccc1C(=O)OCCc1c([C@H](c2cccc(Br)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12 ZINC000150543547 KK Annotated Anodyne COc1ccccc1C(=O)OCCc1c([C@@H](c2cccc(Br)c2)c2c(O)c3ccccc3n(C)c2=O)[nH]c2ccccc12 ZINC000150543549 KK Annotated Anodyne CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1cn(CCCCCCCOC(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000150543556 KK Annotated Anodyne CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1cn(CCCCCCCOC(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000150543558 KK Annotated Anodyne CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1cn(CCCCCCOC(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@H]4CC[C@H]3N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000150543567 KK Annotated Anodyne CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCc1cn(CCCCCCOC(=O)[C@@H]3[C@@H](c4ccc(Cl)cc4)C[C@@H]4CC[C@H]3N4C)nn1)[C@@H](c1ccc(Cl)cc1)C2 ZINC000150543570 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1cccc(C(=O)c2ccc(C(C)C)cc2)c1)C[C@H]1OC[C@]13OC(C)=O ZINC000150543593 KK Annotated Anodyne Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)O2 ZINC000150543633 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1cccc(C(=O)c2ccc(C)cc2)c1)C[C@H]1OC[C@]13OC(C)=O ZINC000150543662 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)cc1)C(=O)NS(=O)(=O)c1ccccc1 ZINC000150543689 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@@]31OC(C)=O ZINC000150543740 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150543743 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@@H](OCc3ccccc3)[C@@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@@]31OC(C)=O ZINC000150543747 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150543751 KK Annotated Anodyne O=C1C(I)=CC(=C(c2ccccc2C(=O)O)C2C=C(I)C(=O)C(I)=C2)C=C1I ZINC000150544123 KK Annotated Mild COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(OC)cc7)C[C@H]5C(S(=O)(=O)O)=N6)cc4N=C(S(=O)(=O)O)[C@@H]3C2)cc1 ZINC000150544413 KK Annotated Anodyne COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc([C@@H](O)CNC(=O)CCCCCCCCCCCC(C)C)cc1Br)[C@H]2O ZINC000150544542 KK Annotated Anodyne COC1=C(Br)C[C@@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc([C@H](O)CNC(=O)CCCCCCCCCCCC(C)C)cc1Br)[C@H]2O ZINC000150544545 KK Annotated Anodyne COc1ccc2nc3ccc4ccn(CCN5CCC(C6CCN(CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000150544599 KK Annotated Anodyne in-vitro CN(C)S(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000150544660 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000150544663 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(c4ccccc4)C(=O)[C@@]3(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000150544668 KK Annotated Anodyne O=c1c(OCCBr)c(-c2ccc(OCCBr)c(OCCBr)c2)oc2cc(OCCBr)cc(OCCBr)c12 ZINC000150544683 KK Annotated Reactive Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NCCCCCCCC(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/NCCCCCCCC(=O)O)C(=O)C(O)=C2C(C)C ZINC000150544707 KK Annotated Mild C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 ZINC000150544774 KK Annotated Mild CC1(C)Oc2ccc3c(=O)cc(NCc4ccncc4)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000150544958 KK Annotated Anodyne O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4ON=C(c5ccc(Cl)cc5Cl)[C@H]4C3=O)cc2)cc1 ZINC000150544966 KK Annotated Anodyne CCCCNCC(=O)N1[C@H](c2ccc(OC)cc2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]2[C@]1(C)C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150545040 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](C(=O)O)c1ccc(Cl)cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@@H](C(=O)O)c1ccc(Cl)cc1)C(=O)C(O)=C2C(C)C ZINC000150545067 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](C(=O)O)c1ccc(Cl)cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](C(=O)O)c1ccc(Cl)cc1)C(=O)C(O)=C2C(C)C ZINC000150545069 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H](C(=O)O)c1ccc(Cl)cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](C(=O)O)c1ccc(Cl)cc1)C(=O)C(O)=C2C(C)C ZINC000150545072 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(-c3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1 ZINC000150545076 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccccc1/C=C/C(=O)N1C[C@@H](CCl)c2c1cc(O)c1[nH]c(C(F)(F)F)c(C(=O)OC)c21 ZINC000150545087 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CC/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150545184 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1cc(OC)c(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)cc1OC ZINC000150545256 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)OC)c43)cn2)nc1 ZINC000150545294 KK Annotated Reactive COC(=O)[C@@H]1CCC(=O)N1c1c2ccc(n2)c(-c2cc(OC)c(OC)c(OC)c2)c2ccc([nH]2)c(N2C(=O)CC[C@H]2C(=O)OC)c2ccc(n2)c(-c2cc(OC)c(OC)c(OC)c2)c2ccc1[nH]2 ZINC000150545368 KK Annotated Bother O=C1CC[C@@H](C(O)(c2ccccc2)c2ccccc2)N1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(N2C(=O)CC[C@H]2C(O)(c2ccccc2)c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000150545384 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1cccc(OC(=O)c2ccccc2)c1)C[C@H]1OC[C@]13OC(C)=O ZINC000150545428 KK Annotated Anodyne O=P(O)(O)Cc1cc2sc3cc(CP(=O)(O)O)cc(sc4cc(CP(=O)(O)O)cc(sc5cc(CP(=O)(O)O)cc(sc(c1)c2O)c5O)c4O)c3O ZINC000150545429 KK Annotated Bother O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)[C@H](O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N/O ZINC000150545515 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OC[C@H]1O[C@H](OC)[C@H](OCCN)[C@@H](OCCN)[C@H]1OCCN ZINC000150545538 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2cc3ccccc3cc12 ZINC000150545542 KK Annotated Reactive CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)c3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000150545710 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150545769 KK Annotated Anodyne in-man C=C1CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(C(=O)OC)c(O)c(NC2=CC(=O)C(O)=C(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)C2=O)c1O ZINC000150545843 KK Annotated Mild CC(=O)O[C@@H](C=O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc(/C(O)=C/c2cc(O)c(=O)c(C)c3c2[C@@H](O)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]32)cc(O)c(=O)c1C ZINC000150545871 KK Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1n[nH]c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCC/C4=C\c1ccc(Cl)cc1 ZINC000150545954 KK Annotated Anodyne COC(=O)/C(C)=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5cc6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CCC(=C(C)C)[C@H]6C1)C2=O ZINC000150545999 KK Annotated Mild COC(=O)/C(C)=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5cc6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@@]1(C)CCC(=C(C)C)[C@H]6C1)C2=O ZINC000150546002 KK Annotated Mild CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000150546101 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C ZINC000150546292 KK Annotated Reactive CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C ZINC000150546293 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)/C=C/c4cccc(NC(=O)c5ccccc5)c4)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@]13OC(C)=O ZINC000150546319 KK Annotated Anodyne COC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]2(O)C[C@H](OC(C)=O)C(C)=C1C2(C)C ZINC000150546324 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@@H]2[C@H]3OC4(CCCCC4)O[C@@H]3[C@@H](OC(=O)/C=C/c3ccc(OC(C)=O)c(OC)c3)[C@@H]3OC4(CCCCC4)O[C@H]23)ccc1OC(C)=O ZINC000150546369 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000150546393 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000150546398 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000150546406 KK Annotated Anodyne C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@@](=O)(O)OCC ZINC000150546461 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)N(C(C)C)CCCCCc1cc(OC)cc3nc(-c4ccccc4)cc(c13)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150546646 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150546672 KK Annotated Anodyne CN[C@@H](Cc1ccc(Oc2cc3cc(c2O)-c2cccc4c(c[nH]c24)C[C@@H](N)C(=O)N[C@H](c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@H]3C(=O)N[C@@H](C(=O)O)c2cc(Cl)c(O)c(Cl)c2)cc1)C(=O)O ZINC000150546747 KK Annotated Anodyne O=C1[C@H]2C(c3ccccc3Br)=NO[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4ON=C(c5ccccc5Br)[C@H]4C3=O)cc2)cc1 ZINC000150546805 KK Annotated Anodyne COc1cc(C[C@H]2NC=C3Cc4c(OC)c(C)c(OC)c(OC)c4[C@H](COC(=O)/C=C/c4ccccc4)N3C2=O)c(OC)c(C)c1OC ZINC000150546914 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)c(OC)c(OC)cc4cn3)ccc2[nH]1 ZINC000150546923 KK Annotated Reactive CCc1c(I)c(C)c(Oc2c(I)c(C)c(CCCC(=O)O)c(C)c2I)c(C)c1I ZINC000150546957 KK Annotated Anodyne COc1cc(/C=C/C(=O)Oc2ccc3c(c2)C(=O)c2ccc(OC(=O)/C=C/c4ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c4)cc2C3=O)ccc1OC/C=C(\C)CCC=C(C)C ZINC000150547008 KK Annotated Clean Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H](C(=O)O)c1ccccc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](C(=O)O)c1ccccc1)C(=O)C(O)=C2C(C)C ZINC000150547138 KK Annotated Mild O=C(Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)c5ccccc5)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1)c1ccccc1 ZINC000150547202 KK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cc4ccc(N5C(=O)[C@H]6ON(c7ccccc7)[C@H](C(=O)c7ccc(Cl)cc7Cl)[C@H]6C5=O)cc4)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000150547323 KK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@H]2C(=O)N(c3ccc(Cc4ccc(N5C(=O)[C@@H]6[C@@H](ON(c7ccccc7)[C@H]6C(=O)c6ccc(Cl)cc6Cl)C5=O)cc4)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000150547328 KK Annotated Anodyne C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCCCCCCCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OC[C@@H]5C)cn1c23 ZINC000150547332 KK Annotated Anodyne CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150547339 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4o3)ccc2[nH]1 ZINC000150547356 KK Annotated Reactive CC(=O)c1ccc(N/C=C2\C(=O)C(O)=C(C(C)C)c3cc(C)c(-c4c(C)c(C(C)C)c5c(c4O)/C(=C/Nc4ccc(C(C)=O)cc4)C(=O)C(O)=C5)c(O)c32)cc1 ZINC000150547422 KK Annotated Mild CCc1c(I)c(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000150547468 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000150547471 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1 ZINC000150547511 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1 ZINC000150547514 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1)c1ccc(N[C@H](Cc2ccco2)n2nc(COc3ccc4ccccc4c3)oc2=S)cc1 ZINC000150547518 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(COc3cccc4ccccc34)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3cccc4ccccc34)oc2=S)cc1 ZINC000150547520 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3cccc4ccccc34)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3cccc4ccccc34)oc2=S)cc1 ZINC000150547522 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(COc3cccc4ccccc34)oc2=S)cc1)c1ccc(N[C@H](Cc2ccco2)n2nc(COc3cccc4ccccc34)oc2=S)cc1 ZINC000150547525 KK Annotated Anodyne CCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4cccc(C[n+]5cccc(-c6nc(-c7ccccc7)c7c(=O)n(CCCCCC)c8ccccc8n67)c5)c4)c3)n2c2ccccc21 ZINC000150547526 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1 ZINC000150547529 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](Cc2ccco2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1 ZINC000150547534 KK Annotated Anodyne O=c1c2c(-c3ccccc3)nc3n2c2ccccc2n1CCCCCCCCCCn1c(=O)c2c(-c4ccccc4)nc(n2c2ccccc21)-c1ccc[n+](c1)Cc1cccc(c1)C[n+]1cccc-3c1 ZINC000150547538 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1)c1ccc(N[C@H](Cc2ccco2)n2nc(-c3ccc(Nc4ccccc4)cc3)oc2=S)cc1 ZINC000150547540 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(COc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3ccccc3)oc2=S)cc1 ZINC000150547547 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(COc3ccccc3)oc2=S)cc1 ZINC000150547551 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(COc3ccccc3)oc2=S)cc1)c1ccc(N[C@H](Cc2ccco2)n2nc(COc3ccccc3)oc2=S)cc1 ZINC000150547555 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(I)c(C)c(CCC(=O)O)c(C)c2I)c(C)c1I ZINC000150547556 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(OC(=O)c2ccc4ccccc4c2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150547702 KK Annotated Anodyne CC(=O)OC[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](COC(C)=O)cc3)c3ccc([nH]3)c(-c3cc[n+](COC(C)=O)cc3)c3ccc([nH]3)c(-c3cc[n+](COC(C)=O)cc3)c3ccc2n3)cc1 ZINC000150547855 KK Annotated Clean C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C[C@H]1CN(C(=O)C2CCCC2)C[C@]1(O)c1cccc(F)c1 ZINC000150547993 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@H](OC(C)=O)[C@H](CCCCCCCCCCCCCCCCC)OC(C)=O ZINC000150548082 KK Annotated Mild CCN(CC)CCC(=O)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)/C=C/c4ccc5ccccc5c4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000150548108 KK Annotated Anodyne COc1ccc2cc(/C=C/C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@H]([C@]5(OC(C)=O)CO[C@@H]5CCO)C(C)=C(O)C(=O)C(=C3C)C4(C)C)ccc2c1 ZINC000150548119 KK Annotated Mild O=C1c2ccccc2C(=O)c2cc(Cn3cc(CN(Cc4cn(Cc5ccc6c(c5)C(=O)c5ccccc5C6=O)nn4)Cc4cn(Cc5ccc6c(c5)C(=O)c5ccccc5C6=O)nn4)nn3)ccc21 ZINC000150548152 KK Annotated Clean CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c(=O)cc(-c4ccc(OC(C)=O)c(OC(C)=O)c4)oc23)cc1 ZINC000150548303 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(-c3cc(C(F)(F)F)c(C#N)c(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5ccc(Br)cc45)n3)c3cc(Br)ccc32)cc1 ZINC000150548542 KK Annotated Mild Cc1cc(S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)cc1Cl ZINC000150548582 KK Annotated Reactive [N-]=[N+]=Nc1ccc(I)cc1C(=O)NCCCC[C@H]1CC(=O)NCCc2cc(Br)c(O)c(c2)Oc2cc(Br)c(cc2Br)CCC(=O)N1 ZINC000150548599 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3nc(C(C)C)cs3)nc3c(Cl)c(OCCN4CCOCC4)ccc23)[C@H]2CC[C@H](C(C)C)C(=O)N12)C(=O)NS(=O)(=O)C1CC1 ZINC000150548647 KK Annotated Mild COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1[C@@H]2[C@H]1c2cc(C)cc(O)c2C(=O)c2c1cc(OC)c(/C=C/C(C)C)c2O ZINC000150548656 KK Annotated Anodyne COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1[C@@H]2[C@@H]1c2cc(C)cc(O)c2C(=O)c2c1cc(OC)c(/C=C/C(C)C)c2O ZINC000150548660 KK Annotated Anodyne O=C(O)CCC(=O)O[C@@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]53C1 ZINC000150548746 KK Annotated Anodyne C[C@@H]1CCCCCCCCC(=O)OCCN(C(=O)OC(C)(C)C)[C@H](C)CCCCCCCCC(=O)OCCN(C(=O)OC(C)(C)C)[C@H](C)CCCCCCCCC(=O)OCCN1C(=O)OC(C)(C)C ZINC000150548773 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)N[C@@H](C)C[C@@H](C)/C=C(\C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000150548840 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)N[C@H](C)C[C@@H](C)/C=C(\C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000150548844 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/CC[C@@H]1C ZINC000150548865 KK Annotated Anodyne CN(C)c1ccc2c(c1)Cc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCCCCCN(CCOc3ccc(NS(C)(=O)=O)cc3)CCc3ccc(NS(C)(=O)=O)cc3)ccc21 ZINC000150548945 KK Annotated Clean CCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150548984 KK Annotated Mild O=C1/C(=C/c2ccc(Br)cc2)CN2C[C@@]13[C@@H](c1ccc(Br)cc1)[C@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000150549103 KK Annotated Mild CCCCCCCCCCCCN(CCCCCCCCCCCC)Cc1c(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)ccc(C)c1O ZINC000150549350 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)(O)OCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000150549375 KK Annotated Mild CC(=O)O[C@@]1([C@@H]2C(C)=C(OC(=O)OCc3ccccc3)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000150549385 KK Annotated Mild CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150549581 KK Annotated Reactive CC(C)C(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000150549655 KK Annotated Mild C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4Cl)C(=O)C3)CC2)C1=O ZINC000150549855 KK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4Cl)C(=O)C3)CC2)C1=O ZINC000150549858 KK Annotated Anodyne C#CCCCCCC(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C ZINC000150549925 KK Annotated Mild N#CC1=C(NS(=O)(=O)c2ccc(Br)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000150549932 KK Annotated Reactive N#CC1=C(NS(=O)(=O)c2ccc(Br)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000150549936 KK Annotated Reactive N=c1c2c([nH]c(=S)n1-c1ccc(Cl)cc1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000150549939 KK Annotated Mild N=c1c2c([nH]c(=S)n1-c1ccc(Cl)cc1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000150549941 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(/N=C(\C=C\c3ccc(O)c(OC)c3)CC(/C=C/c3ccc(O)c(OC)c3)=N/c3ccc(S(=O)(=O)Nc4ccc(OC)nn4)cc3)cc2)nn1 ZINC000150550039 KK Annotated Mild COc1cc(/C=C/C(CC(/C=C/c2ccc(O)c(OC)c2)=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)ccc1O ZINC000150550044 KK Annotated Mild CCCCCCCCCC1=C(C(=O)OCc2ccc(COC(=O)C3=C(CCCCCCCCC)NC4=[N+]5[C@H]3CC[C@@H]5C[C@H](CCCCCCC)N4)cc2)[C@@H]2CC[C@@H]3C[C@H](CCCCCCC)NC(=[N+]23)N1 ZINC000150550087 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@](C/C=C(\C)CCC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000150550157 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000150550161 KK Annotated Mild CCc1c(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C1=CCC(C(=O)OC)=C(C(=O)OC)[C@@]15CC)c(CC)c4CC)C(=O)C3(CC)CC ZINC000150550172 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2cc(-c3cc(C(F)(F)F)c(C#N)c(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5cc(Br)ccc45)n3)c3ccc(Br)cc32)cc1 ZINC000150550219 KK Annotated Mild CO[C@@H]1CCN(Cc2ccc(CN3CC[C@@H](OC)OC[C@@H](c4ccccc4)NC(=O)C[C@H](OC)OC[C@H]3c3ccccc3)cc2)[C@H](c2ccccc2)CO[C@@H](OC)CC(=O)N[C@H](c2ccccc2)CO1 ZINC000150550351 KK Annotated Anodyne COc1ccc(C(c2cn(Cc3cn(Cc4ccccc4)nn3)c3ccc(Br)cc23)c2cn(Cc3cn(Cc4ccccc4)nn3)c3ccc(Br)cc23)cc1 ZINC000150550416 KK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc4c(c3[C@@H]3c5c(O)cc6c(c5[C@H]2[C@H]3c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150550469 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c(c3[C@@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc6c(c5[C@H]23)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150550472 KK Annotated Anodyne CC1(C)CC2(CC(C)(C)c3c(Br)c(OS(=O)(=O)O)c(OS(=O)(=O)O)c(Br)c32)c2c(Br)c(OS(=O)(=O)O)c(OS(=O)(=O)O)c(Br)c21 ZINC000150550530 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2c3ccc(n3)c(-c3cc(C(=O)O)cc(C(=O)O)c3)c3ccc([nH]3)c(-c3cc(C(=O)O)cc(C(=O)O)c3)c3ccc(n3)c(-c3cc(C(=O)O)cc(C(=O)O)c3)c3ccc2[nH]3)c1 ZINC000150550560 KK Annotated Bother CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 ZINC000150550689 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCCC5)nc(N)nc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150550701 KK Annotated Mild Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OP(=O)(NCCCl)NCCCl)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150550706 KK Annotated Reactive C[C@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O ZINC000150550724 KK Annotated Reactive COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCCOc1c(Br)cc(CCNC(=O)CCCCCCCCCCCC(C)C)cc1Br)=NO2 ZINC000150550750 KK Annotated Anodyne c1ccc(C2OCCO2)c(OCCOc2cc(OCCOc3ccccc3C3OCCO3)c(OCCOc3ccccc3C3OCCO3)cc2OCCOc2ccccc2C2OCCO2)c1 ZINC000150550753 KK Annotated Anodyne CCC1=C[C@H](C[C@](C(=O)OC)(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]32[C@@H]54)c2[nH]c3ccc(N)cc3c2CC)CNC1 ZINC000150550794 KK Annotated Anodyne COCOc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OCOC ZINC000150550971 KK Annotated Mild CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000150551005 KK Annotated Anodyne c1c(CCCCC[n+]2ccc3c(c2)CCCC3)c(CCCCC[n+]2ccc3c(c2)CCCC3)cc(CCCCC[n+]2ccc3c(c2)CCCC3)c1CCCCC[n+]1ccc2c(c1)CCCC2 ZINC000150551066 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)Nc1ccccc1)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1 ZINC000150551110 KK Annotated Mild C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)c(C=C)c1 ZINC000150551141 KK Annotated Mild CC1=CC2=C(C(C)C)[C@H](O)C(O)=C(/C=N/N3CCN(C)CC3)[C@@H]2C(O)=C1c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/N3CCN(C)CC3)c2c1O ZINC000150551586 KK Annotated Mild CC1=CC2=C(C(C)C)[C@H](O)C(O)=C(/C=N/N3CCN(C)CC3)[C@H]2C(O)=C1c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/N3CCN(C)CC3)c2c1O ZINC000150551589 KK Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(O)=C(/C=N/N3CCN(C)CC3)[C@@H]2C(O)=C1c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/N3CCN(C)CC3)c2c1O ZINC000150551594 KK Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(O)=C(/C=N/N3CCN(C)CC3)[C@H]2C(O)=C1c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/N3CCN(C)CC3)c2c1O ZINC000150551597 KK Annotated Mild Cc1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(s3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(n3)c(-c3ccc(C)cc3S(=O)(=O)O)c3ccc2s3)c(S(=O)(=O)O)c1 ZINC000150551679 KK Annotated Bother C[C@@H](S[C@@H]1CO[C@@H](c2ccc(C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000150551729 KK Annotated Anodyne CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3c(c2)[C@]24c5cccc(c5O[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O ZINC000150551881 KK Annotated Anodyne C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(OCC)OCC ZINC000150551935 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCCO/C(=N\c1ccc(Br)cc1)SS/C(=N/c1ccc(Br)cc1)OCCCN1C(=O)c2ccccc2C1=O ZINC000150552067 KK Annotated Reactive CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150552184 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150552366 KK Annotated Mild CCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150552414 KK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150552482 KK Annotated Anodyne CC(C)(C)c1cc2c(OCC(=O)O)c(c1)Cc1cc(OCC(=O)O)cc(c1C(C)(C)C)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(OCC(=O)O)cc(c1C(C)(C)C)C2 ZINC000150552535 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCC(=O)OC1[C@H]3CC4C[C@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150552809 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCC(=O)OC1[C@H]3CC4C[C@@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150552812 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCC(=O)OC1[C@@H]3CC4C[C@@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150552815 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)O)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000150552923 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000150553391 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OCc3ccccc3)c(O)c1)=C2O ZINC000150553443 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)=C2O ZINC000150553452 KK Annotated Mild CCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150553454 KK Annotated Mild CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@@H]34)[C@H]2N1C(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553456 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@@H]34)[C@H]2N1C(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553463 KK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1O ZINC000150553465 KK Annotated Mild CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@H]34)[C@H]2N1C(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553471 KK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OCc1cc([N+](=O)[O-])ccc1OC ZINC000150553473 KK Annotated Mild COc1ccc(/C=C2/S[C@@H](c3c(O)ccc4ccccc34)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@H]3c3c(O)ccc4ccccc34)C2=O)cc1OC ZINC000150553476 KK Annotated Clean CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@H]34)[C@H]2N1C(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553477 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OCCC3OCCO3)c(O)c1)=C2O ZINC000150553483 KK Annotated Mild CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2N1C(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553488 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OCCC3OCCO3)c(OCCC3OCCO3)c1)=C2O ZINC000150553489 KK Annotated Mild CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2N1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553496 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OC(C)=O ZINC000150553497 KK Annotated Mild CCCC(=O)Oc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OC(=O)CCC ZINC000150553506 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1)=C2O ZINC000150553514 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(OC(=O)C=C(C)C)c(OC(=O)C=C(C)C)c1)=C2O ZINC000150553522 KK Annotated Mild CC(C)C[C@H]1C(=O)N2c3ccccc3[C@](C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@@H]34)(OC(=O)CCC(=O)OCc3ccccc3)[C@H]2N1C(=O)OCc1ccccc1 ZINC000150553526 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@](C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@H]34)(OC(=O)CCC(=O)OCc3ccccc3)[C@H]2N1C(=O)OCc1ccccc1 ZINC000150553531 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2N1C(=O)[C@@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553550 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2N1C(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C ZINC000150553557 KK Annotated Anodyne CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(C)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150553567 KK Annotated Bother CC(C)C[C@H]1C(=O)N2c3ccccc3[C@](C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)(OC(=O)CCC(=O)OCc3ccccc3)[C@H]2N1C(=O)OCc1ccccc1 ZINC000150553573 KK Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)/C=C/c1ccc3ccccc3c1)[C@@]1(C)C(=O)[C@H](OC(=O)CCc3ccc(C(=O)c4ccccc4)cc3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C ZINC000150553574 KK Annotated Anodyne O=c1c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CCOCCN6CCCCC6)c(=O)c6cc(N7CCCCC7)c(c7ccc(c(=O)n1CCOCCN1CCCCC1)c2c37)c4c56 ZINC000150553698 KK Annotated Bother O=S(=O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(C(F)(F)F)cc3)c3ccc(s3)c(-c3ccc(C(F)(F)F)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc2s3)cc1 ZINC000150553952 KK Annotated Bother C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000150554101 KK Annotated Reactive C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000150554104 KK Annotated Reactive C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000150554108 KK Annotated Reactive COc1cc(/C=C/c2noc(/C=C/c3ccc(O)c(OC)c3)c2/N=N/C2=C=C=C(S(=O)(=O)Nc3cc(C)on3)C=C2)ccc1O ZINC000150554270 KK Annotated Clean COC(=O)c1cc(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@H]32)c(O)c(NC2=CC(=O)C(O)=C(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)C2=O)c1O ZINC000150554383 KK Annotated Mild CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)/C=C/c1ccc3ccccc3c1)[C@@]1(C)C(=O)[C@H](OC(=O)CCc3ccc(C(=O)c4ccccc4)cc3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OCc4ccccc4)[C@@H]12)C3(C)C ZINC000150554386 KK Annotated Anodyne C#CCCCCCC(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N1CCC[C@H]1c1nccs1)C(C)C)C(C)C)C(C)C ZINC000150554429 KK Annotated Mild Fc1cnc(F)c(F)c1-c1c2ccc(n2)c(-c2c(F)cnc(F)c2F)c2ccc([nH]2)c(-c2c(F)cnc(F)c2F)c2ccc([nH]2)c(-c2c(F)cnc(F)c2F)c2ccc1n2 ZINC000150554499 KK Annotated Mild CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@@H]([C@H](O)CCCCCCCCCCCn3cc(COc4ccc5c(c4)Oc4cc(O)ccc4[C@]54OC(=O)c5ccccc54)nn3)O2)O1 ZINC000150554668 KK Annotated Anodyne CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@@H]([C@H]2CC[C@@H]([C@H](O)CCCCCCCCCCCn3cc(COc4ccc5c(c4)Oc4cc(O)ccc4[C@@]54OC(=O)c5ccccc54)nn3)O2)O1 ZINC000150554672 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C2CCN(c3ccnc(C(F)(F)F)n3)CC2)CC1 ZINC000150554800 KK Annotated Anodyne C=C(O)CNC(=O)c1cc2cc[n+](CCN3CCC(C4CCN(CC[n+]5ccc6cc(C(=O)NCC(=O)O)c7[nH]c8ccc(OC)cc8c7c6c5)CC4)CC3)cc2c2c1[nH]c1ccc(OC)cc12 ZINC000150554802 KK Annotated Mild COc1cc(/C=C2/C(=O)N(C(=O)OC(C)C)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000150554948 KK Annotated Anodyne COc1cc(/C=C/OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000150555129 KK Annotated Bother CCn1cc(C(=O)OCCCOc2c3cc(CCN)cc2Cc2cc(CCN)cc(c2O)Cc2cc(CCN)cc(c2O)Cc2cc(CCN)cc(c2O)C3)c(=O)c2ccc(C)nc21 ZINC000150555186 KK Annotated Anodyne O=C(O)C1(C(=O)O)C23c4c5c6c7c8c9c%10c%11c%12c%13c=%10c%10c%14c%15c(c-5c2c2c%15c5c%15c=2c2c%16c%17c(c%18c%19c(c7c4=%18)c4c8c%11c7c4c4c%19c%17c8c%11c%16c%15c%15c%16c5c%14c%13c%16c5c%12c7c(c84)c5c%11%15)C213)[C@@]%101C(C(=O)O)(C(=O)O)[C@@]691 ZINC000150555322 KK Annotated Bother O=C(O)C1(C(=O)O)C23c4c5c6c7c8c9c%10c%11c%12c%13c=%10c%10c%14c%15c(c-5c2c2c%15c5c%15c=2c2c%16c%17c(c%18c%19c(c7c4=%18)c4c8c%11c7c4c4c%19c%17c8c%11c%16c%15c%15c%16c5c%14c%13c%16c5c%12c7c(c84)c5c%11%15)C213)[C@@]%101C(C(=O)O)(C(=O)O)[C@]691 ZINC000150555326 KK Annotated Bother O=C(O)C1(C(=O)O)C23c4c5c6c7c8c9c%10c%11c%12c%13c=%10c%10c%14c%15c(c-5c2c2c%15c5c%15c=2c2c%16c%17c(c%18c%19c(c7c4=%18)c4c8c%11c7c4c4c%19c%17c8c%11c%16c%15c%15c%16c5c%14c%13c%16c5c%12c7c(c84)c5c%11%15)C213)[C@]%101C(C(=O)O)(C(=O)O)[C@@]691 ZINC000150555332 KK Annotated Bother CCCCCCN1C(=O)c2cccc3c(NCCNC(=O)CCCCC(=O)NCCNc4c(Br)cc5c6c(cccc46)C(=O)N(CCCCCC)C5=O)c(Br)cc(c23)C1=O ZINC000150555592 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@@H](C(=O)Nc4ccccc4C(=O)NS(=O)(=O)c4ccc(C(F)(F)F)cc4)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1 ZINC000150555614 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2c(OC)ccc(OC)c12 ZINC000150555819 KK Annotated Reactive CCCCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)[C@@H](C)NC(=[N+]32)N1 ZINC000150555898 KK Annotated Mild C[N+](C)(C)c1ccc(-c2c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc(n3)c(-c3ccc(C(F)(F)F)cc3)c3ccc2[nH]3)cc1 ZINC000150555952 KK Annotated Bother Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150555954 KK Annotated Anodyne CCc1cc(COc2ccc(CNCCC(C)C)cc2I)c(OCc2ccccc2)c(COc2ccc(CNCCC(C)C)cc2I)c1 ZINC000150555960 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCN(OCc1ccccc1)C(=S)Nc1ccc(Nc2ccc(NC(=S)N(CCN3C(=O)c4ccccc4C3=O)OCc3ccccc3)cc2)cc1 ZINC000150555978 KK Annotated Anodyne O=C(CCCCBr)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000150556075 KK Annotated Reactive COc1cccc2c(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(/C=C/c4ccc(NC(=O)[C@@H]5CCCN5C(=O)c5nc(Cl)cc6c(OC)cccc56)cc4)cc3)nc(Cl)cc12 ZINC000150556595 KK Annotated Anodyne COc1c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)cc(CO)c1-c1c(CO)c(Br)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1OC ZINC000150556704 KK Annotated Anodyne C=C1C(=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000150556749 KK Annotated Mild C=C1C(=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000150556758 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CC(F)(F)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150557210 KK Annotated Bother C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000150557313 KK Annotated Reactive C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000150557316 KK Annotated Reactive C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000150557321 KK Annotated Reactive CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000150557389 KK Annotated Mild C=C1[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000150557446 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@@H](C(=O)Nc4cc(C(F)(F)F)ccc4C(=O)NS(=O)(=O)c4ccccc4)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1 ZINC000150557555 KK Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)C(=O)N2C/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C2)C/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000150557598 KK Annotated Mild O=C(O)CO/N=C1\C=C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@@H]%14[C@H]%13%10)[C@]3(C1)c(c=5c%117)c%12%16 ZINC000150557611 KK Annotated Mild COc1cc(C[C@H]2c3cc4c(cc3CC[N+]2(C)CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]2(C)CCc3cc5c(cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)OCO5)OCO4)cc(OC)c1OC ZINC000150557623 KK Annotated Bother COc1cc(C[C@@H]2c3cc4c(cc3CC[N+]2(C)CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]2(C)CCc3cc5c(cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)OCO5)OCO4)cc(OC)c1OC ZINC000150557629 KK Annotated Bother O=C(O)CO/N=C1\C=C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@@H]%14[C@H]%13%10)[C@@]3(C1)c(c=5c%117)c%12%16 ZINC000150557630 KK Annotated Mild O=C(O)CO/N=C1\C=C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@@H]%14[C@H]%13%10)[C@@]3(C1)c(c=5c%117)c%12%16 ZINC000150557641 KK Annotated Mild O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000150557657 KK Annotated Reactive CCC[C@@H](O)Cc1c(Br)c(O)c2c(=O)c3c(O)c(Br)c(O)c4c5c(O)c(Br)c(O)c6c(=O)c7c(O)c(Br)c(C[C@H](O)CCC)c8c1c2c(c34)c(c65)c78 ZINC000150557796 KK Annotated Bother COc1cccc2c(-c3cc(CNCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)c4c(c3OCc3ccccc3)[C@@H](C)N(Cc3ccccc3)[C@H](C)C4)c(C)cc(OC)c12 ZINC000150557864 KK Annotated Anodyne COc1ccc(S(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)CN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)cc1 ZINC000150557886 KK Annotated Anodyne O[C@H](CNCCNC[C@@H](O)COC(c1ccc(Br)cc1)c1ccc(Br)cc1)COC(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000150557899 KK Annotated Anodyne C[C@H](NC(=O)Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000150557905 KK Annotated Reactive CCCOc1c2cccc1Cc1cc(C(O)(P(=O)(O)O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cccc(c1O)C2 ZINC000150558135 KK Annotated Anodyne C[N+](C)(CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(O)C[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150558194 KK Annotated Mild C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)C(=O)C3)CC2)C1=O ZINC000150558460 KK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)C(=O)C3)CC2)C1=O ZINC000150558465 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1CCCCN1CCN(CCc3ccccc3C(F)(F)F)CC1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)c2c1c1ccccc1c1ccccc21 ZINC000150558575 KK Annotated Bother C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)c4ccccc34)c3ccc([nH]3)c(-c3cc[n+](C)c4ccccc34)c3ccc([nH]3)c(-c3cc[n+](C)c4ccccc34)c3ccc2n3)c2ccccc21 ZINC000150558820 KK Annotated Clean C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4cccnc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150558883 KK Annotated Mild Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150558909 KK Annotated Anodyne Cc1ccc(Nc2nc(NCCCNc3nc(Nc4ccc(C#N)cc4)nc(Nc4ccc(C)cc4Br)n3)nc(Nc3ccc(C#N)cc3)n2)c(Br)c1 ZINC000150558978 KK Annotated Mild CC(C)[C@H](O)C(=O)N[C@@H]1C(=O)N[C@@H](C(C)C)c2nc3c(o2)[C@]24c5ccc(cc5N[C@H]2Oc2ccc1cc24)-c1cccc2[nH]cc(c12)-c1cnc-3o1 ZINC000150559219 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccccc4OC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150559421 KK Annotated Mild COc1ccc([C@@H]2Sc3ccccc3N([C@H](C(=O)Nc3cccc4ccccc34)c3ccccc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150559484 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N([C@H](C(=O)Nc3cccc4ccccc34)c3ccccc3)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150559488 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@@H](C(=O)Nc4ccccc4C(=O)NS(=O)(=O)Cc4ccccc4)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1 ZINC000150559687 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@H](O)CN(CCCC)CCCC)c(Br)c2)cc1Br ZINC000150559775 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)N[C@@H](C)C(=O)N(C)[C@H]3Cc4ccc(cc4)Oc4cc(ccc4OC)C[C@@H](C(=O)N[C@H](C)C(=O)N(C/C=C(\C)CCC=C(C)C)[C@@H](C)C(=O)N2C)N(C)C3=O)cc1 ZINC000150559780 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@H](O)CN(CCCC)CCCC)c(Br)c2)cc1Br ZINC000150559783 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OC[C@@H](O)CN(CCCC)CCCC)c(Br)c2)cc1Br ZINC000150559785 KK Annotated Anodyne CC(C)(C)c1ccc(NC[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CNc4ccc(C(C)(C)C)cc4)c(Br)c3)cc2Br)cc1 ZINC000150559790 KK Annotated Anodyne CC(C)(C)c1ccc(NC[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CNc4ccc(C(C)(C)C)cc4)c(Br)c3)cc2Br)cc1 ZINC000150559795 KK Annotated Anodyne CC(C)(C)c1ccc(NC[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)CNc4ccc(C(C)(C)C)cc4)c(Br)c3)cc2Br)cc1 ZINC000150559800 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccc(OC)cc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150559884 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCN(C(=O)CCn3cnc4c(N5CCC(NC)CC5)ncnc43)CC2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000150559928 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(OC(=O)c2cccc4ccccc24)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150559933 KK Annotated Anodyne OCCCC1=CCCN(CCCCCc2cc(CCCCCN3CCC=C(CCCO)C3)c(CCCCCN3CCC=C(CCCO)C3)cc2CCCCCN2CCC=C(CCCO)C2)C1 ZINC000150560006 KK Annotated Anodyne CC(C)[C@@H]1C[C@H](O)[C@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000150560094 KK Annotated Bother CC(C)[C@H]1C[C@H](O)[C@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000150560097 KK Annotated Bother CC(C)[C@@H]1C[C@@H](O)[C@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000150560099 KK Annotated Bother CC(C)[C@H]1C[C@@H](O)[C@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000150560101 KK Annotated Bother C[N+](C)(CCCC[N+](C)(C)CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCNC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150560128 KK Annotated Mild Cc1ccc2c(ccn2C[C@@H]2C/C=C/[C@H](c3ccc(C[P@](=O)(O)Cc4ccccc4)cc3)[C@H](CC(=O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H](CC(N)=O)C(=O)NC2)c1 ZINC000150560182 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000150560192 KK Annotated Bother CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(F)cccc5[C@@H](Nc5ccccc5F)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150560347 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000150560454 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OC4CCCC4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150560473 KK Annotated Mild CCCCC/C=C\CCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000150560732 KK Annotated Anodyne Fc1ccc(C(c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)c2cn(Cc3ccc(Br)cc3)c3ccc(Br)cc23)cc1 ZINC000150560738 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(Cl)cc5[C@@H](Nc5ccc(Cl)cc5)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150560894 KK Annotated Anodyne CCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)[C@@H](C)[C@@H]6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150560925 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(NC4CCCCC4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150561162 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)C5(OC)CCCC5)C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150561241 KK Annotated Anodyne O=S(=O)(NC1=C[C@H]2C(=Nc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3N2c2ccccc2)C=C1)c1ccc(Br)cc1 ZINC000150561491 KK Annotated Anodyne O=S(=O)(NC1=C[C@@H]2C(=Nc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3N2c2ccccc2)C=C1)c1ccc(Br)cc1 ZINC000150561496 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000150561743 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3cc(-c4ccccc4)[nH]c3N12 ZINC000150561749 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3nc(C4CC4)cs3)nc2c1C ZINC000150561805 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000150561890 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000150561896 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OCc3cn(CCCCCCCCCCOC(=O)CSCc4c(C)n5c(C)c(C)c(=O)n5c4=O)nn3)c(OC)c2)cc(OC)c1OC ZINC000150561897 KK Annotated Mild Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000150561937 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000150561947 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000150561966 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000150561976 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NCC(F)(F)F)c(F)cc2Cl)CC1 ZINC000150561983 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NCC(F)(F)F)c(F)cc2Cl)CC1 ZINC000150561986 KK Annotated Anodyne CCCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@@H]4CC[C@@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150561995 KK Annotated Anodyne CCCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@H]4CC[C@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150562002 KK Annotated Anodyne CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@H]4CC[C@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150562008 KK Annotated Anodyne CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@@H]4CC[C@@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150562014 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000150562018 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000150562030 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000150562035 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000150562038 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000150562043 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000150562048 KK Annotated Anodyne CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@@H]4CC[C@@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150562087 KK Annotated Anodyne CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@H]4CC[C@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150562092 KK Annotated Anodyne COc1cc([C@@H]2SCCCCCCCCCCS[C@H](c3ccc(O)c(OC)c3)SCCCCCCCCCCS2)ccc1O ZINC000150562115 KK Annotated Anodyne O=C(O)CCNc1sc2c(c1Cc1nnc(SCSc3nnc(Cc4c(NCCC(=O)O)sc5c4CCCC5)n3NC(=O)c3ccc(Cl)cc3)n1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000150562228 KK Annotated Anodyne O=C(CCl)Nc1sc2c(c1Cc1nnc(SCSc3nnc(Cc4c(NC(=O)CCl)sc5c4CCCC5)n3NC(=O)c3ccccc3)n1NC(=O)c1ccccc1)CCCC2 ZINC000150562231 KK Annotated Reactive O=C(O)CO/N=C1\CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]53C1 ZINC000150562239 KK Annotated Mild O=C(O)CCNc1sc2c(c1Cc1nnc(SCSc3nnc(Cc4c(NCCC(=O)O)sc5c4CCCC5)n3NC(=O)c3ccccc3)n1NC(=O)c1ccccc1)CCCC2 ZINC000150562244 KK Annotated Anodyne FC(F)(F)C(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5cc[n+](CCCl)cc5)c(C(F)(F)C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1cc[n+](CCCl)cc1 ZINC000150562313 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1cccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c1 ZINC000150562383 KK Annotated Reactive C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)NCCCCCCCCCCNC(=O)c4cn5c6c(c(N7CCN(C)CC7)c(F)cc6c4=O)OC[C@@H]5C)cn1c23 ZINC000150562586 KK Annotated Anodyne CCOC(=O)N1CCC(N/C=C2\C(=O)C(O)=C(C(C)C)c3cc(C)c(C4=C(O)[C@@H]5C(=C(C(C)C)[C@H](O)C(=O)/C5=C\NC5CCN(C(=O)OCC)CC5)C=C4C)c(O)c32)CC1 ZINC000150562922 KK Annotated Mild CCOC(=O)N1CCC(N/C=C2\C(=O)C(O)=C(C(C)C)c3cc(C)c(C4=C(O)[C@H]5C(=C(C(C)C)[C@H](O)C(=O)/C5=C\NC5CCN(C(=O)OCC)CC5)C=C4C)c(O)c32)CC1 ZINC000150562929 KK Annotated Mild CCOC(=O)N1CCC(N/C=C2\C(=O)C(O)=C(C(C)C)c3cc(C)c(C4=C(O)[C@@H]5C(=C(C(C)C)[C@@H](O)C(=O)/C5=C\NC5CCN(C(=O)OCC)CC5)C=C4C)c(O)c32)CC1 ZINC000150562937 KK Annotated Mild CCOC(=O)N1CCC(N/C=C2\C(=O)C(O)=C(C(C)C)c3cc(C)c(C4=C(O)[C@H]5C(=C(C(C)C)[C@@H](O)C(=O)/C5=C\NC5CCN(C(=O)OCC)CC5)C=C4C)c(O)c32)CC1 ZINC000150562947 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4csc(C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150562962 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4csc(C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150563020 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4ccc(Cl)cc4c3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150563029 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150563067 KK Annotated Bother COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150563074 KK Annotated Bother CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000150563089 KK Annotated Bother Cc1cc2c(cc1C)COc1ccccc1C(=O)Nc1ccccc1SCc1ccc(cc1)-c1cccc(c1)-c1ccc(cc1)CSc1ccccc1NC(=O)c1ccccc1OC2 ZINC000150563179 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)c4ccccc4)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150563323 KK Annotated Anodyne COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCNC(=O)CCCCCCCCCCCCC(C)C)cc1Br)[C@@H]2O ZINC000150563418 KK Annotated Anodyne C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)N(C(=O)c1cccnc1)CC2 ZINC000150563431 KK Annotated Mild CO[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H](CO)/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@@H](CO)[C@@H](OC)c5ccc([N+](=O)[O-])cc5)c4c3O)c(O)c12 ZINC000150563495 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000150563628 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCc4csc(C(C)C)n4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150563843 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(N4CCCCC4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150563861 KK Annotated Mild CCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)[C@@H](C)[C@@H]6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150563888 KK Annotated Bother C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(-c4ccc(F)cc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000150563935 KK Annotated Mild Clc1ccc(Cn2cc(Cn3cc(C(c4ccccc4)c4cn(Cc5cn(Cc6ccc(Cl)cc6)nn5)c5ccc(Br)cc45)c4cc(Br)ccc43)nn2)cc1 ZINC000150564048 KK Annotated Anodyne CCN(CC)C(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3cc(-c4nc(C5CC5)cs4)nc4c(C)c(OC)ccc34)CN2C1=O ZINC000150564110 KK Annotated Anodyne Cc1cc(C)c(Nc2nc(Nc3ccc(C#N)cc3)nc(N3CCN(c4nc(Nc5ccc(C#N)cc5)nc(Nc5c(Br)cc(C)cc5Br)n4)CC3)n2)c(C)c1 ZINC000150564210 KK Annotated Mild C/C(=C\COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)CCCC(C)C)CC/C=C(\C)CCC[C@H](C)CCCC(C)C ZINC000150564541 KK Annotated Bother C/C(=C\COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)CCCC(C)C)CC/C=C(\C)CCC[C@@H](C)CCCC(C)C ZINC000150564544 KK Annotated Bother C/C(=C\CC/C(C)=C/COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)CC/C=C(\C)CCCC(C)C ZINC000150564550 KK Annotated Bother C/C(=C\CO[C@H](COC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CO[P@@](=O)(O)OCC[N+](C)(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150564553 KK Annotated Bother C/C(=C\CO[C@H](COC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CO[P@@](=O)(O)OCC[N+](C)(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150564555 KK Annotated Bother C/C(=C\CO[C@H](COC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CO[P@@](=O)(O)OCC[N+](C)(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150564558 KK Annotated Bother C/C(=C\COC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150564560 KK Annotated Bother C(#Cc1ccc(-c2c3ccc(=[N+]4CCCCC4)cc-3oc3cc(N4CCCCC4)ccc23)cc1)Cn1cc(COCCOCCOCCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1 ZINC000150564639 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)C3C(=NO)C2[C@@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000150564758 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)C3C(=NO)C2[C@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000150564761 KK Annotated Mild CC(C)(C)c1cc2c(OCCCCN)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCCN)Cc1cc(C(C)(C)C)cc(c1OCCCCN)Cc1cc(C(C)(C)C)cc(c1OCCCCN)C2 ZINC000150564768 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N(CCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000150564914 KK Annotated Reactive COc1cc2nc(-c3ccccc3)cc3c2cc1/C=C/CC(C)(C)COC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@H](CN2C1=O)O3 ZINC000150564950 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C ZINC000150565052 KK Annotated Reactive CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C ZINC000150565056 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)/C=C/c4ccc(Sc5ccccc5)cc4)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@]13OC(C)=O ZINC000150565067 KK Annotated Anodyne C[C@H](NC(=O)c1ccc(N2[C@@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(Nc4ccccc4)c2)C3)nc1)c1ccc(N2CCN(C)CC2)cc1 ZINC000150565114 KK Annotated Clean C[C@H](NC(=O)c1ccc(N2[C@H]3CC[C@H]2CC(NC(=O)c2ccc(C(N)=O)c(Nc4ccccc4)c2)C3)nc1)c1ccc(N2CCN(C)CC2)cc1 ZINC000150565120 KK Annotated Clean CC(=O)Oc1ccc([C@@H]2CC(=O)C=C3O[C@H](c4ccc(OC(C)=O)c(OC(C)=O)c4)[C@@H](O)[C@@H]4c5c(C(C)=O)cc(C(C)=O)cc5[C@@H]2[C@@H]34)cc1OC(C)=O ZINC000150565129 KK Annotated Mild OCC[n+]1ccc(-c2nc(-c3ccc(C(c4ccc(-c5nc(-c6cc[n+](CCO)cc6)c(C(F)(F)C(F)(F)F)o5)cc4)(C(F)(F)F)C(F)(F)F)cc3)oc2C(F)(F)C(F)(F)F)cc1 ZINC000150565240 KK Annotated Mild FC(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5cc[n+](CCCl)cc5)c(C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1cc[n+](CCCl)cc1 ZINC000150565246 KK Annotated Reactive OCC[n+]1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cc[n+](CCO)cc6)c(C(F)(F)C(F)(F)C(F)(F)F)o5)cc4)cc3)oc2C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000150565274 KK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@]2(O)[C@@]2(O)c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150565351 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC ZINC000150565556 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC ZINC000150565560 KK Annotated Reactive CC(C)(C)OC(=O)N(CCOCCOc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)cc1)CCOCCOc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccccc2)cc1 ZINC000150565562 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](C)OC(=O)CCCCCCCCCCCCCCC ZINC000150565563 KK Annotated Reactive O=C(COc1nc(-c2cccs2)nc2ccc(I)cc12)NN1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O ZINC000150565568 KK Annotated Anodyne CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)C3C(=NO)C2[C@H](c2ccc(OCCC)cc2)N[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000150565572 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)C3C(=NO)C2[C@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000150565579 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)C3C(=NO)C2[C@@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000150565582 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)C3C(=NO)C2[C@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000150565587 KK Annotated Mild CCCCCCCCSCc1c(O)c(CSCCCCCCCC)c2c(c1O)[C@H](SCCCCCCCC)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2 ZINC000150565613 KK Annotated Mild CCCCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)[C@@H](C)[C@@H]6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150565628 KK Annotated Mild CCCCCCCCCCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCCCCCCCCCC)c(C)c2C)nc2ccccc21 ZINC000150565799 KK Annotated Reactive COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)C(F)(F)CC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150565874 KK Annotated Bother CCSS/C(CCO[P@]1(=O)OCc2ccccc2O1)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO[P@]1(=O)OCc2ccccc2O1)SSCC ZINC000150566286 KK Annotated Reactive CCSS/C(CCO[P@@]1(=O)OCc2ccccc2O1)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO[P@]1(=O)OCc2ccccc2O1)SSCC ZINC000150566292 KK Annotated Reactive CCSS/C(CCO[P@@]1(=O)OCc2ccccc2O1)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO[P@@]1(=O)OCc2ccccc2O1)SSCC ZINC000150566294 KK Annotated Reactive COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)[C@@]4(O)Oc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(=O)O)c(OC)c6C)c(C)c5C[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(=O)O ZINC000150566510 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1c1nc(Br)c(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5C[C@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4Br)cc3)cc2)[nH]1)C(C)C ZINC000150566789 KK Annotated Clean O=C(O)[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccc2cc1OCO2 ZINC000150566868 KK Annotated Anodyne COc1cc2c(cc1OC)C1c3cc(OC)c(OC)cc3CC[N+]1(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150567073 KK Annotated Bother CCCCCC(=O)OC/C(C#CC1=C(C)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]1(O)[C@H](C)CC(=O)CC1(C)C ZINC000150567148 KK Annotated Mild O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccc2cc1OCO2 ZINC000150567248 KK Annotated Anodyne CO[C@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@H]1NCCc2cc(O)c(O)cc21 ZINC000150567256 KK Annotated Anodyne CO[C@@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@@H]1NCCc2cc(O)c(O)cc21 ZINC000150567257 KK Annotated Anodyne CO[C@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@@H]1NCCc2cc(O)c(O)cc21 ZINC000150567259 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)cc1 ZINC000150567565 KK Annotated Reactive Cc1cc(C)cc(NC[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CNc4cc(C)cc(C)c4)c(Br)c3)cc2Br)c1 ZINC000150567590 KK Annotated Anodyne Cc1cc(C)cc(NC[C@@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CNc4cc(C)cc(C)c4)c(Br)c3)cc2Br)c1 ZINC000150567593 KK Annotated Anodyne Cc1cc(C)cc(NC[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)CNc4cc(C)cc(C)c4)c(Br)c3)cc2Br)c1 ZINC000150567597 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(C)=O)c1 ZINC000150567613 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(C)=O)c1 ZINC000150567617 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(C)=O)c1 ZINC000150567621 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(C)=O)c1 ZINC000150567624 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000150567757 KK Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000150567763 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000150567767 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000150567771 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000150567775 KK Annotated Mild C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150567829 KK Annotated Mild CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CCCCS(=O)(=O)NC1=O ZINC000150567928 KK Annotated Anodyne CC(C)C[C@@]1(C2=C(O)[C@](Cc3ccccc3)(C[C@H](O)[C@@H](CC(=O)O[C@@H]3CCOC3)Cc3ccccc3)N=C2)N=CC([C@@H](Cc2ccccc2)C(N)=O)=C1O ZINC000150567938 KK Annotated Anodyne CC(C)C[C@@]1(C2=C(O)[C@](Cc3ccccc3)(C[C@H](O)[C@@H](CC(=O)O[C@H]3CCOC3)Cc3ccccc3)N=C2)N=CC([C@@H](Cc2ccccc2)C(N)=O)=C1O ZINC000150567944 KK Annotated Anodyne CCCCN(CCCC)/C(=N/C(=N)NCc1ccc(Cl)c(Cl)c1)NCCCCCCN/C(=N\C(=N)NCc1ccc(Cl)c(Cl)c1)N(CCCC)CCCC ZINC000150568018 KK Annotated Mild Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)O)c(CCC(=O)NCCCCCCCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c2)cc1 ZINC000150568057 KK Annotated Anodyne COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(NCc3cn(CCCCCCCCCC(=O)N[C@H]4CCc5cc(OC)c(OC)c(OC)c5-c5ccc(OC)c(=O)cc54)nn3)n2)cc1 ZINC000150568131 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000150568188 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N(C(C)=O)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000150568190 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(C)cc2)cc1 ZINC000150568346 KK Annotated Clean COc1cc(OC)cc(Oc2c(OC)cc(OC)c3c2Oc2c(OC)cc(Oc4c(OC)cc(Oc5c(OC)cc(OC)c6c5Oc5c(OC)cc(OC)cc5O6)cc4OC)cc2O3)c1 ZINC000150568446 KK Annotated Anodyne O=C(C[N+]12CC[N+](CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CC1)CC2)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150568600 KK Annotated Mild CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CCCCS(=O)(=O)NC1=O ZINC000150568652 KK Annotated Anodyne C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)N(C(=O)c1ccccc1)CC2 ZINC000150568780 KK Annotated Mild CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)CCCCCCS(=O)(=O)NC1=O ZINC000150568948 KK Annotated Anodyne CC(C)c1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000150569079 KK Annotated Mild CCCCCCCCCC[C@H](O)COCCOC[C@@H](O)CCCCCCCCCCCCC1=C[C@H](C)N(CCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C1=O ZINC000150569113 KK Annotated Mild COc1cc2c(cc1O)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150569145 KK Annotated Mild O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCCCCCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000150569175 KK Annotated Anodyne O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)CCCCCCCCC(=O)N3CCCN(C4(c5ccc(Oc6ccccc6)cc5)C(=O)NC(=O)NC4=O)CC3)CC2)C(=O)N1 ZINC000150569183 KK Annotated Anodyne CC(C)[C@H](NC(=O)COc1ccccc1/N=N/c1ccccc1OCC(=O)N[C@H](C(=O)OCC#CCS(=O)(=O)c1ccccc1)C(C)C)C(=O)OCC#CCS(=O)(=O)c1ccccc1 ZINC000150569346 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150569420 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150569424 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150569426 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000150569429 KK Annotated Mild O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3/C=CC2=N3)cc1 ZINC000150569494 KK Annotated Anodyne CCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)C(=O)N[C@@H](C)C(=O)NCCNCCNC(=O)[C@H](C)NC3=O ZINC000150569504 KK Annotated Anodyne COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@@H]2CC[C@H](C[C@@H]3CC[C@@H](N)CC3)CC2)cc1OC ZINC000150569537 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)c1cccc3ncccc13)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150569633 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5c(O)cc6c7c5[C@H]([C@@H]4c4ccc(O)cc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]7[C@H](c4ccc(O)cc4)O6)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150569651 KK Annotated Anodyne COc1ccc2ccc3c(c2c1)N=C[C@]1(O3)N(C)c2cccc(CNC(=O)c3ccc(C4=C5CCC(=[N+](C)C)C=C5Oc5cc(N(C)C)ccc54)c(C(=O)O)c3)c2C1(C)C ZINC000150569679 KK Annotated Mild COc1ccc2ccc3c(c2c1)N=C[C@@]1(O3)N(C)c2cccc(CNC(=O)c3ccc(C4=C5CCC(=[N+](C)C)C=C5Oc5cc(N(C)C)ccc54)c(C(=O)O)c3)c2C1(C)C ZINC000150569690 KK Annotated Mild C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(O)c6[C@H]([C@H]31)N4C)OCO5)N(C(=O)c1c[nH]c3ccccc13)CC2 ZINC000150569750 KK Annotated Mild CC(C)CCC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000150569913 KK Annotated Anodyne CC(C)CCC(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1/c2ccccc2nc2n1CCCCCC2 ZINC000150569920 KK Annotated Anodyne CC(C)CCC(=O)N(CCCC/N=c1/c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000150569925 KK Annotated Anodyne CC(C)CCC(=O)N(CCCC/N=c1\c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000150569933 KK Annotated Anodyne C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)N(C(=O)c1ccncc1)CC2 ZINC000150570106 KK Annotated Mild O=c1c2cc3cc(CCN4CCCCC4)c4cc5c(=O)n(CCN6CCCCC6)c(=O)c6cc7cc(CCN8CCCCC8)c8cc(c(=O)n1CCN1CCCCC1)c2c1c3c4c(c65)c7c81 ZINC000150570129 KK Annotated Bother COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000150570257 KK Annotated Reactive N[C@@H](CCN[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1)C(=O)O ZINC000150570297 KK Annotated Anodyne N[C@H](CCN[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)cn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1)C(=O)O ZINC000150570300 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)CCCc2ccccc2S(=O)(=O)NC1=O ZINC000150570370 KK Annotated Anodyne C=CCOc1c(OC)c(C)cc2c1[C@@H]1[C@@H]3[C@@H]4SC[C@]5(C(=O)OC[C@H](c6c7c(c(C)c(OC(C)=O)c64)OCO7)N3[C@@H](C#N)[C@H](C2)N1C)c1cc(OC)c(O)cc1CCN5C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000150570773 KK Annotated Mild COc1cc2c(cc1O)CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150570833 KK Annotated Mild COC(=O)CCN(CCN(CCN(CCC(=O)OC)C1CCCCCCCCCCC1)CCN(CCC(=O)OC)C1CCCCCCCCCCC1)C1CCCCCCCCCCC1 ZINC000150570983 KK Annotated Anodyne BrCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(CBr)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 ZINC000150571104 KK Annotated Reactive Cc1nc(OCc2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1 ZINC000150571108 KK Annotated Mild CN(C)Cc1ccc(Nc2ccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000150571122 KK Annotated Clean COC(=O)N[C@H](C(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1c1nc(Cl)c(-c2ccc(-c3ccc(-c4[nH]c([C@@H]5C[C@@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4Cl)cc3)cc2)[nH]1)C(C)C ZINC000150571165 KK Annotated Clean CN1CCN(CCc2cc3cc4c(=O)n(CCN5CCCCC5)c(=O)c5cc6c(CCN7CCN(C)CC7)cc7cc8c(=O)n(CCN9CCCCC9)c(=O)c9cc2c2c3c(c45)c6c7c2c89)CC1 ZINC000150571284 KK Annotated Bother Fc1ccc(NCn2nc(COc3ccc(Cl)cc3)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)cc1Cl ZINC000150571296 KK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2nc(-c3ccccc3)nc(OCc3cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn3)c12 ZINC000150571323 KK Annotated Mild CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/c2ccccc2S(=O)(=O)NC1=O ZINC000150571352 KK Annotated Anodyne COC(=O)[C@H](CCCCNC(=O)c1ccc(/N=C2\C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000150571382 KK Annotated Mild CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O ZINC000150571383 KK Annotated Anodyne COC(=O)[C@H](CCCCNC(=O)Cc1ccc(/N=C2\C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000150571389 KK Annotated Mild CCOP(=O)(OCC)OCC/C(SSCC)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOP(=O)(OCC)OCC)SSCC ZINC000150571510 KK Annotated Reactive CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000150571630 KK Annotated Mild CCOC(=O)C1=C(N)N(Nc2ccc(Br)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2cc(Cl)ccc2nc1Cl ZINC000150571634 KK Annotated Mild C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)N(C(=O)/C=C/c1ccccc1)CC2 ZINC000150571685 KK Annotated Mild O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(OCc3ccncc3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCc3ccncc3)cc2)N1Cc1cccc(-c2cc[nH]n2)c1 ZINC000150571700 KK Annotated Anodyne Cc1cc(OCc2nn(CNc3ccc(F)c(Cl)c3)c(=S)n2/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl ZINC000150571716 KK Annotated Mild Fc1ccc(NCn2nc(COc3ccc(Cl)cc3Cl)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)cc1Cl ZINC000150571719 KK Annotated Mild COc1cc2c(cc1O)CCN(C(=O)c1c[nH]c3ccccc13)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150571845 KK Annotated Mild CC(=O)Oc1ccc([C@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000150572044 KK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000150572047 KK Annotated Anodyne CC(=O)Oc1ccc([C@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000150572050 KK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000150572054 KK Annotated Anodyne CN(C)c1ccc2c(-c3ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc4ccc5c(c4)C(C)(C)[C@]4(C=Nc6c(ccc7ccccc67)O4)N5C)C(=O)O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000150572094 KK Annotated Bother CN(C)c1ccc2c(-c3ccc(C(=O)N[C@@H](CCCCNC(=O)CCCc4ccc5c(c4)C(C)(C)[C@@]4(C=Nc6c(ccc7ccccc67)O4)N5C)C(=O)O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000150572099 KK Annotated Bother CCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150572100 KK Annotated Mild O=C(O)c1cc2ccc1OCc1ccc3cc(ccc3c1)COc1ccc(cc1C(=O)O)Cc1ccc(c(C(=O)O)c1)OCc1ccc3cc(ccc3c1)COc1ccc(cc1C(=O)O)C2 ZINC000150572180 KK Annotated Anodyne CCCCCCc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000150572218 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N(N=O)[C@H](c2cc3ccccc3nc2Cl)[C@H](C(=O)OCC)S1(=O)=O ZINC000150572252 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)/C=C/c1ccccc1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150572265 KK Annotated Mild C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCCCCCCNC(=O)c1cc2ccccc2c(-c2ccccc2I)n1)[C@@H]3C ZINC000150572278 KK Annotated Bother COc1cc2c(cc1O)CCN(C(=O)c1ccnc3ccccc13)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150572284 KK Annotated Mild C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CN4C[C@@H](C)C[C@@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000150572375 KK Annotated Anodyne CC(C)(c1cc(Br)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572383 KK Annotated Anodyne CC(C)(c1cc(Br)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572385 KK Annotated Anodyne CC(C)(c1cc(Br)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1)c1cc(Br)c(OC[C@@H](O)CN2CCC3(CC2)OCCO3)c(Br)c1 ZINC000150572389 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(=O)[C@@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)c3)oc2c1 ZINC000150572391 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\Cc2ccccc2S(=O)(=O)NC1=O ZINC000150572579 KK Annotated Anodyne CCc1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6[nH]c(cc1[nH]2)[C@]1(C)C6=CC=C(C(=O)OC)[C@@H]1C(=O)OC)nc45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150572648 KK Annotated Bother O=C(CCc1ccccc1)O[C@@H]1[C@H](Oc2ccc(I)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)[C@@H]1OCCOC(=O)Nc1ccccc1 ZINC000150572651 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2ccccc12 ZINC000150572688 KK Annotated Reactive COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCC[C@H](CC(=O)N5CCCC(F)(F)C5)C(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150572809 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(Cc4ccccc4)CC3)n2)o1 ZINC000150572832 KK Annotated Anodyne CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](O)C(C)C)Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc1oc24 ZINC000150572835 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150572847 KK Annotated Mild CCCCCCCO[C@@H](C)c1c(C)c2cc3[nH]c(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6nc(cc1n2)[C@H](C)[C@H]6CC)[nH]c45)[C@@H](CCC(=O)OCCC)[C@@H]3C ZINC000150572852 KK Annotated Mild C[C@@H]1c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@H](C)c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@H](C)c2cc1c1c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO1 ZINC000150572857 KK Annotated Anodyne C[C@H]1c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@H](C)c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@H](C)c2cc1c1c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO1 ZINC000150572859 KK Annotated Clean CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5cc(Cl)cc(Cl)c5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150572867 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5cc(Cl)cc(Cl)c5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150572872 KK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(N(C(=O)NCc4ccc(C#N)cc4)c4cccc(F)c4)CC3)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000150573015 KK Annotated Mild CC[C@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)oc(=O)c4c3C ZINC000150573019 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5cc(OC)c(OC)c(OC)c5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150573074 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5cc(OC)c(OC)c(OC)c5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150573079 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CCCCS(=O)(=O)NC1=O ZINC000150573084 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1cc(-c2ccc(Br)cc2)nc(N2C(=O)c3ccccc3C2=O)c1C#N ZINC000150573382 KK Annotated Mild COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2ccc3c(Cl)c(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000150573399 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2ccc3c(Cl)c(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000150573404 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2ccc3c(Cl)c(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000150573408 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2ccc3c(Cl)c(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000150573410 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccc(O)cc2)C1 ZINC000150573421 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccc(O)cc2)C1 ZINC000150573427 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccccc2Cl)C1 ZINC000150573430 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccccc2Cl)C1 ZINC000150573435 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)c1ccc3ncccc3c1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150573462 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@@H](C(=O)Nc4c(C)cccc4C(=O)NS(=O)(=O)c4ccccc4)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1 ZINC000150573523 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2cccc(Cl)c2)C1 ZINC000150573681 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2cccc(Cl)c2)C1 ZINC000150573684 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccc(Cl)cc2)C1 ZINC000150573687 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccc(Cl)cc2)C1 ZINC000150573691 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccccc2[N+](=O)[O-])C1 ZINC000150573694 KK Annotated Bother O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccccc2[N+](=O)[O-])C1 ZINC000150573696 KK Annotated Bother O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccccc2O)C1 ZINC000150573923 KK Annotated Clean CCOC(=O)c1ccc(N(CCCN(CCCN(c2ccc(C(=O)OCC)cc2)S(=O)(=O)c2ccc(C)cc2)CCc2ccc(O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150573925 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccccc2O)C1 ZINC000150573926 KK Annotated Clean O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2cccc(O)c2)C1 ZINC000150573930 KK Annotated Anodyne O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2cccc(O)c2)C1 ZINC000150573933 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000150573941 KK Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)OC[C@@H](/C=C1\CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150574060 KK Annotated Anodyne COC(=O)[C@H](CCCCNC(=O)CCc1ccc(/N=C2\C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000150574170 KK Annotated Mild CN(C)c1ccc2c(-c3ccc(C(=O)NCCCOc4ccc5ccc6c(c5c4)N=C[C@]4(O6)N(C)c5ccc(CCCC(=O)ON6C(=O)CCC6=O)cc5C4(C)C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000150574263 KK Annotated Mild CN(C)c1ccc2c(-c3ccc(C(=O)NCCCOc4ccc5ccc6c(c5c4)N=C[C@@]4(O6)N(C)c5ccc(CCCC(=O)ON6C(=O)CCC6=O)cc5C4(C)C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000150574268 KK Annotated Mild CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000150574357 KK Annotated Anodyne C[C@H](Oc1c2cc(C(C)(C)C)cc1sc1cc(C(C)(C)C)cc(sc3cc(C(C)(C)C)cc(sc4cc(C(C)(C)C)cc(s2)c4O)c3O[C@@H](C)C(=O)O)c1O)C(=O)O ZINC000150574410 KK Annotated Bother C[C@H](Oc1c2cc(C(C)(C)C)cc1sc1cc(C(C)(C)C)cc(sc3cc(C(C)(C)C)cc(sc4cc(C(C)(C)C)cc(s2)c4O)c3O[C@H](C)C(=O)O)c1O)C(=O)O ZINC000150574416 KK Annotated Bother C[C@@H](Oc1c2cc(C(C)(C)C)cc1sc1cc(C(C)(C)C)cc(sc3cc(C(C)(C)C)cc(sc4cc(C(C)(C)C)cc(s2)c4O)c3O[C@H](C)C(=O)O)c1O)C(=O)O ZINC000150574425 KK Annotated Bother O=S(=O)(O)c1ccc(-c2c3cnc(c3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc2[nH]3)cc1 ZINC000150574434 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574459 KK Annotated Clean Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574463 KK Annotated Clean Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574466 KK Annotated Clean Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5O)cc4)nc(N(C)C)n3)ccc12 ZINC000150574469 KK Annotated Clean COC(=O)[C@H](CCCCNC(=O)c1cccc(/N=C2\C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)c1)NC(C)=O ZINC000150574484 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)Cc1cccc(/N=C2\C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)c1)NC(C)=O ZINC000150574486 KK Annotated Mild COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccc([N+](=O)[O-])cc4)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@H]3OC(=O)c3ccc([N+](=O)[O-])cc3)c(Cl)c2c1 ZINC000150574513 KK Annotated Bother Cc1cc(C)c(C2=NO[C@H]3C(=O)N(c4ccc(Cc5ccc(N6C(=O)[C@H]7ON=C(c8c(C)cc(C)cc8C)[C@H]7C6=O)cc5)cc4)C(=O)[C@@H]23)c(C)c1 ZINC000150574521 KK Annotated Anodyne Cc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000150574544 KK Annotated Mild O=c1c2c(C(F)(F)F)cc(-c3ccccc3)nc2ncn1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000150574680 KK Annotated Mild COc1cc(/C=C2\CN(C(=O)CCC(=O)N(CCCNCCCCNCCCN)Cc3ccc(-c4nc5ccccc5s4)cc3)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000150574744 KK Annotated Mild CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CC2(CC2)S(=O)(=O)NC1=O ZINC000150574828 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCC(=O)OC[C@H]1O[C@H](OC)[C@H](OC(=O)CN)[C@@H](OC(=O)CN)[C@H]1OC(=O)CN ZINC000150574947 KK Annotated Mild CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H]2CCCCN(C2=O)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150574974 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H]2CCCCN(C2=O)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150574976 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3O[C@H]4N=C(C)O[C@@]4(C)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000150574995 KK Annotated Mild O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCC(Cc4ccccc4)CC3)n2)o1 ZINC000150575137 KK Annotated Anodyne CC[C@]1(C)C[C@@H](NC(=O)NC(=O)c2ccc(OC)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1OC(=O)NC(=O)c1ccc(OC)cc1 ZINC000150575210 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000150575434 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000150575439 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CC2(CC2)S(=O)(=O)NC1=O ZINC000150575460 KK Annotated Anodyne CSCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1C(F)(F)F ZINC000150575508 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6ccc(O)c7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150575608 KK Annotated Anodyne C[C@@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]513 ZINC000150575648 KK Annotated Anodyne CCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150575667 KK Annotated Mild C=C(C)C(=O)c1ccc(OCC(=O)NCCCCCC(=O)NCc2cc(CNC(=O)CCCCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(C(N)=O)c2)c(Cl)c1Cl ZINC000150575676 KK Annotated Mild C=C(CC)C(=O)c1ccc(OCC(=O)NCC(=O)NCc2cc(CNC(=O)CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(C(N)=O)c2)c(Cl)c1Cl ZINC000150575696 KK Annotated Mild O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1n1c(-c2cccs2)nc2ccc(I)cc2c1=O ZINC000150575702 KK Annotated Anodyne C=C(C)C(=O)c1ccc(OCC(=O)NCCCC(=O)NCc2cc(CNC(=O)CCCNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(C(N)=O)c2)c(Cl)c1Cl ZINC000150575703 KK Annotated Mild O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1n1c(-c2cccs2)nc2ccc(I)cc2c1=O ZINC000150575706 KK Annotated Anodyne Cc1cc(NC(=O)c2cccc(I)c2C(=O)NC(C)(C)CS(C)(=O)=O)ccc1OCC=C(Cl)Cl ZINC000150575820 KK Annotated Anodyne COCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1C(F)(F)F ZINC000150575834 KK Annotated Anodyne CSCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1Cl ZINC000150575914 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)C(=O)N1 ZINC000150575915 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)C(=O)N1 ZINC000150575919 KK Annotated Anodyne CO[C@@H]1C/C(=N\OCC(=O)O)CC23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000150575941 KK Annotated Mild CSCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)c(Cl)c1 ZINC000150575943 KK Annotated Anodyne CO[C@H]1C/C(=N\OCC(=O)O)CC23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000150575944 KK Annotated Mild COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNC(=O)NCCCN(C)CCCNc5nccc6c(C)c7[nH]c8ccc(OC)cc8c7c(C)c56)c4c(C)c3c2c1 ZINC000150575955 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1c2ccccc2c(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2ccccc12 ZINC000150576062 KK Annotated Reactive Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(OCCCC(=O)N(CCCN)CCCCNCCCN)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150576254 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(OCCCC(=O)N(CCCN)CCCCNCCCN)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150576259 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(OCCCC(=O)N(CCCN)CCCCNCCCN)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150576263 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\c2ccccc2S(=O)(=O)NC1=O ZINC000150576475 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)OCc4ccccc4)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150576485 KK Annotated Anodyne CC(=O)N(CCN(C(C)=O)c1ccc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)O)c3)cc2c1)c1ccc2ccc(S(=O)(=O)Nc3ccc(Cl)c(C(=O)O)c3)cc2c1 ZINC000150576561 KK Annotated Anodyne CCCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6nc(cc1n2)[C@H](C)[C@H]6CC)[nH]c45)[C@@H](CCC(=O)OCCC)[C@@H]3C ZINC000150576571 KK Annotated Mild CCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)cc1)C(=O)NS(=O)(=O)c1ccccc1 ZINC000150576668 KK Annotated Anodyne Cc1cc(/N=C2\C(=O)N(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc([N+](=O)[O-])cc32)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000150576738 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2c1OCCO2 ZINC000150576762 KK Annotated Reactive CCc1ccc2c(c1)/C(=N/c1c(CC)cc(Cc3cc(CC)c(/N=C4\C(=O)N(CC)c5ccc(CC)cc54)c(CC)c3Cl)c(Cl)c1CC)C(=O)N2CC ZINC000150576770 KK Annotated Mild CC(C)C[C@@]1(C2=C(O)[C@](Cc3ccccc3)(C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCOC3)N=C2)N=CC([C@@H](Cc2ccccc2)C(N)=O)=C1O ZINC000150576830 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150576955 KK Annotated Bother C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@@H](OC(=O)/C=C/c3ccccc3)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150576968 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150577063 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H]2CCCN(C2=O)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150577175 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H]2CCCN(C2=O)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150577182 KK Annotated Anodyne Cc1cc(/N=C2\C(=O)N(S(=O)(=O)C(F)(F)F)c3ccc(OC(F)(F)F)cc32)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000150577206 KK Annotated Mild Cc1cc(/N=C2\C(=O)N(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(OC(F)(F)F)cc32)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000150577212 KK Annotated Mild COc1ccc(/C=C2/S[C@H](c3ccc(Cl)cc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@@H]3c3ccc(Cl)cc3)C2=O)cc1OC ZINC000150577362 KK Annotated Anodyne COc1ccc(/C=C2/S[C@@H](c3ccc(Cl)cc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@@H]3c3ccc(Cl)cc3)C2=O)cc1OC ZINC000150577365 KK Annotated Anodyne COc1ccc(/C=C2/S[C@@H](c3ccc(Cl)cc3)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@H]3c3ccc(Cl)cc3)C2=O)cc1OC ZINC000150577369 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N2CCCC[C@H]2C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150577380 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NCCCCC(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/NCCCCC(=O)O)C(=O)C(O)=C2C(C)C ZINC000150577737 KK Annotated Mild CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H]2CCN(C2=O)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150577739 KK Annotated Anodyne C[n+]1cc(-c2c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc([nH]3)c(-c3cc4ccccc4[n+](C)c3)c3ccc([nH]3)c(-c3cc4ccccc4[n+](C)c3)c3ccc2n3)cc2ccccc21 ZINC000150577798 KK Annotated Bother Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(OCCCC(=O)N(CCCN)CCCCN)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150577853 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(OCCCC(=O)N(CCCN)CCCCN)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150577857 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(OCCCC(=O)N(CCCN)CCCCN)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150577860 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)N3S(=O)(=O)c2ccccc2C)cc1 ZINC000150577931 KK Annotated Anodyne Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000150577955 KK Annotated Mild CC(=O)O[C@@]12CO[C@@H]1C=C[C@@]1(C)C(=O)[C@H](CCN3CCOCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C ZINC000150577992 KK Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C=C[C@@]1(C)C(=O)[C@H](CCN3CCOCC3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000150577997 KK Annotated Anodyne Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\Nc1ccccn1)/C(=C/Nc1ccccn1)C(=O)C(O)=C2C(C)C ZINC000150578006 KK Annotated Mild CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N2CCC[C@H]2C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150578088 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000150578119 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000150578123 KK Annotated Anodyne O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(Br)c2)o1 ZINC000150578196 KK Annotated Reactive O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(Br)c2)o1 ZINC000150578200 KK Annotated Reactive O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(Br)c2)o1 ZINC000150578208 KK Annotated Reactive O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(Br)c2)o1 ZINC000150578213 KK Annotated Reactive C[N+]1(C)C[C@@]23c4c5c6c7c8c-5c5c9c%10c(c%11c%12c%13c%10c%10c%14c%15c%16c%17c%10c9c8c-%17c8c7c7c9c%10c%17c%18c%19c-%10c(c-%15c%10c%19c%15c(c=%12c%12c-%11c2c2c4c4c6c7c%17c4c4c2c%12c%15c%184)[C@@H]%10[C@@H]%13%14)[C@@H]%16[C@H]89)[C@]53C1 ZINC000150578248 KK Annotated Bother COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2C2=C(Cl)c3ccccc3[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578444 KK Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2C2=C(Cl)c3ccccc3[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578450 KK Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2C2=C(Cl)c3ccccc3[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578457 KK Annotated Anodyne COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2C2=C(Cl)c3ccccc3[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578461 KK Annotated Anodyne O=c1oc2cc(O)c1-c1cc(O)c(O)cc1/C=C/c1cc3c(c(=O)o1)[C@H](c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1/C=C/c1cc4c(c(=O)o1)[C@H]2[C@@H](c1ccc(O)c(O)c1)O4)[C@@H](c1ccc(O)c(O)c1)O3 ZINC000150578622 KK Annotated Clean CC(C)C[C@H]1C(=O)O[C@H](c2ccccc2)C(=O)N2CCCCC[C@H]2C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](c2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N1C ZINC000150578649 KK Annotated Anodyne CCc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000150578662 KK Annotated Mild CCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150578715 KK Annotated Mild COc1ccc([C@@H]2CC(c3ccc(-n4c(-c5ccc(OS(=O)(=O)c6ccc(C)cc6)cc5)nc5ccccc5c4=O)cc3)=NN2)cc1 ZINC000150578733 KK Annotated Anodyne COc1ccc([C@H]2CC(c3ccc(-n4c(-c5ccc(OS(=O)(=O)c6ccc(C)cc6)cc5)nc5ccccc5c4=O)cc3)=NN2)cc1 ZINC000150578734 KK Annotated Anodyne CC1(C)CC(=O)C(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 ZINC000150578770 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c(OC)c1OC ZINC000150578797 KK Annotated Reactive Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@@H]2[C@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000150579020 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(Cc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1 ZINC000150579076 KK Annotated Reactive COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@](=O)(O)Cc6ccccc6)C[C@H]5CCCCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150579257 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@](=O)(O)Cc6ccccc6Cl)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150579265 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4[C@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000150579353 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4[C@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000150579356 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4[C@H]2c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000150579360 KK Annotated Anodyne Cc1nc(N)sc1C(=O)/C=C/c1ccc(/C=C/C(=O)c2sc(NC(=O)CCCCCCCCC(=O)Nc3nc(C)c(C(=O)/C=C/c4ccc(/C=C/C(=O)c5sc(N)nc5C)cc4)s3)nc2C)cc1 ZINC000150579372 KK Annotated Mild CCCCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCCCCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150579411 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000150579446 KK Annotated Mild O=C1[C@H]2Cc3c(c4ccccc4n3C(=O)c3ccccc3)C[C@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@@H]4Cc5c(n(C(=O)c6ccccc6)c6ccccc56)C[C@H]4C3=O)cc2)cc1 ZINC000150579574 KK Annotated Anodyne O=C1[C@H]2Cc3c(c4ccccc4n3C(=O)c3ccccc3)C[C@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@H]4Cc5c(c6ccccc6n5C(=O)c5ccccc5)C[C@H]4C3=O)cc2)cc1 ZINC000150579579 KK Annotated Anodyne O=C1[C@H]2Cc3c(c4ccccc4n3C(=O)c3ccccc3)C[C@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@H]4Cc5c(n(C(=O)c6ccccc6)c6ccccc56)C[C@H]4C3=O)cc2)cc1 ZINC000150579583 KK Annotated Anodyne O=C1[C@H]2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)C[C@@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@H]4Cc5c(c6ccccc6n5C(=O)c5ccccc5)C[C@H]4C3=O)cc2)cc1 ZINC000150579587 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150579620 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150579624 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]2OC(=O)/C=C/c2ccccc2)C1(C)C ZINC000150579744 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@](=O)(O)Cc6ccccc6)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150579747 KK Annotated Anodyne Fc1nc(F)c(F)c(-c2c3ccc(n3)c(-c3c(F)c(F)nc(F)c3F)c3ccc([nH]3)c(-c3c(F)c(F)nc(F)c3F)c3ccc([nH]3)c(-c3c(F)c(F)nc(F)c3F)c3ccc2n3)c1F ZINC000150579786 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)CCCCC(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150579906 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)OC)c43)cc2)cc1 ZINC000150579944 KK Annotated Reactive COc1cc(/C=C2\Oc3cc(OC(=O)c4ccccc4)cc(OC(=O)c4ccccc4)c3C2=O)cc(OC)c1OCc1ccccc1 ZINC000150580095 KK Annotated Mild Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 ZINC000150580196 KK Annotated Anodyne Cc1ccc(CN(C(=O)/C=C/C(=O)N(Cc2ccc(C)cc2)c2ccc(I)cc2)c2ccc(I)cc2)cc1 ZINC000150580242 KK Annotated Anodyne O=C(/C=C/C(=O)N(Cc1ccccc1)c1ccc(I)cc1)N(Cc1ccccc1)c1ccc(I)cc1 ZINC000150580245 KK Annotated Anodyne CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1Cl ZINC000150580383 KK Annotated Anodyne [N-]=[N+]=Nc1ccc(I)cc1C(=O)NCCCC[C@H]1CC(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCC(=O)N1 ZINC000150580491 KK Annotated Mild O=C(NCCSCCOc1ccc2ccccc2c1-c1c(OCCSCCNC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1 ZINC000150580649 KK Annotated Anodyne COC(C)(C)C[N+]#CS(C#[N+]CC(C)(C)OC)(C#[N+]CC(C)(C)OC)(C#[N+]CC(C)(C)OC)(C#[N+]CC(C)(C)OC)C#[N+]CC(C)(C)OC ZINC000150580738 KK Annotated Reactive CCc1c(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c1CC ZINC000150580850 KK Annotated Reactive COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@](=O)(O)Cc6ccccc6Cl)C[C@H]5CCCCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150580878 KK Annotated Anodyne C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000150580924 KK Annotated Bother C[N+]12CCN(CC1)[C@@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000150580928 KK Annotated Bother CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)cc1C(F)(F)F ZINC000150580943 KK Annotated Anodyne Cc1cc(OCC=C(Cl)Cl)ccc1NC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)(=O)=O ZINC000150580948 KK Annotated Anodyne CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)c(Cl)c1 ZINC000150580951 KK Annotated Anodyne CC(C)(CS(C)(=O)=O)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(OCC=C(Cl)Cl)c(C(F)(F)F)c1 ZINC000150580956 KK Annotated Anodyne COc1cc(/C=C2\N=C(c3ccccc3)N([C@H]3Nc4cc5c(cc4S3)N[C@H](N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)S5)C2=O)cc(OC)c1OC ZINC000150581268 KK Annotated Anodyne COc1cc(/C=C2\N=C(c3ccccc3)N([C@@H]3Nc4cc5c(cc4S3)N[C@H](N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)S5)C2=O)cc(OC)c1OC ZINC000150581278 KK Annotated Anodyne COc1cc(/C=C2\N=C(c3ccccc3)N([C@@H]3Nc4cc5c(cc4S3)N[C@@H](N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)S5)C2=O)cc(OC)c1OC ZINC000150581284 KK Annotated Anodyne CCCCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150581325 KK Annotated Mild O=C(NCCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150581622 KK Annotated Mild O=C(NCCCCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150581626 KK Annotated Mild CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCBr)(CCCCCCBr)C3)c2ccccc21 ZINC000150581914 KK Annotated Reactive CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCBr)(CCCCCCBr)C3)c2ccccc21 ZINC000150581918 KK Annotated Reactive O=C(CC(=O)N(C(=O)/C=C\c1ccccc1)c1ccc(Cl)cc1)N1N=C(c2ccccc2)[C@H](/N=N/c2cccc([N+](=O)[O-])c2)C1=O ZINC000150581966 KK Annotated Clean Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](CS)C(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/N[C@@H](CS)C(=O)O)C(=O)C(O)=C2C(C)C ZINC000150581991 KK Annotated Mild O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1c(O)ccc2ccccc12)NN1C(=O)/C(=C/c2ccc(O)c(O)c2)S[C@H]1c1c(O)ccc2ccccc12 ZINC000150582000 KK Annotated Clean O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1c(O)ccc2ccccc12)NN1C(=O)/C(=C/c2ccc(O)c(O)c2)S[C@H]1c1c(O)ccc2ccccc12 ZINC000150582003 KK Annotated Clean O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1c(O)ccc2ccccc12)NN1C(=O)/C(=C/c2ccc(O)c(O)c2)S[C@@H]1c1c(O)ccc2ccccc12 ZINC000150582007 KK Annotated Clean O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(O)c(O)c2)S[C@@H]1c1c(O)ccc2ccccc12)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1c(O)ccc2ccccc12 ZINC000150582011 KK Annotated Clean O=c1c2ccc3c4c(N5CCCCC5)cc5c(=O)n(CCOCCN6CCCCC6)c(=O)c6ccc(c7c(N8CCCCC8)cc(c(=O)n1CCOCCN1CCCCC1)c2c37)c4c65 ZINC000150582012 KK Annotated Bother COC(=O)[C@H](CCCNNC(=O)c1c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)cc3oc(=O)c2n1CCc1ccc(OC)c(OC)c1)NC(=O)OCc1ccccc1 ZINC000150582052 KK Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582190 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582193 KK Annotated Clean O=S(=O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(s3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc2s3)cc1 ZINC000150582194 KK Annotated Bother Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582197 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582200 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582232 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582233 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582236 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582238 KK Annotated Clean C[C@H]1C[C@@H](C)CN(c2nc(-c3ccc(NCC(=O)Nc4nc5ccc(I)cc5s4)cc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)C1 ZINC000150582242 KK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2nc(-c3ccc(NCC(=O)Nc4nc5ccc(I)cc5s4)cc3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)C1 ZINC000150582245 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2nc(-c3ccc(NCC(=O)Nc4nc5ccc(I)cc5s4)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)C1 ZINC000150582246 KK Annotated Anodyne CCOC(=O)CN1C(=O)/C(=C(\C)c2cccc(OC(=O)N[C@@H](CC(C)C)C(=O)N(CCN(Cc3ccc(C(=O)OC)cc3)Cc3ccc(C(=O)OC)cc3)Cc3ccc(Cl)cc3)c2)SC1=S ZINC000150582256 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C3=C(N[C@](C)(c4cc(Cl)cc(I)c4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582271 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C3=C(N[C@](C)(c4cc(Cl)cc(I)c4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582274 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C3=C(N[C@@](C)(c4cc(Cl)cc(I)c4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582280 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C3=C(N[C@@](C)(c4cc(Cl)cc(I)c4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582284 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582290 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582292 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582296 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582301 KK Annotated Clean Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\NC[C@@H]1CCCN3CCCC[C@H]13)/C(=C/NC[C@@H]1CCCN3CCCC[C@H]13)C(=O)C(O)=C2C(C)C ZINC000150582463 KK Annotated Mild Oc1on[n+](-c2ccc(Cc3ccc(-[n+]4noc(O)c4CN4CCN(C5=Nc6ccccc6Sc6ccccc65)CC4)cc3)cc2)c1CN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 ZINC000150582494 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCC(=O)OC1[C@H]3CC4C[C@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150582632 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCC(=O)OC1[C@H]3CC4C[C@@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150582636 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCC(=O)OC1[C@@H]3CC4C[C@@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150582642 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582732 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582737 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582741 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582746 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582750 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582756 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582762 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3cc(Cl)ccc3O)NC1=O)O2 ZINC000150582767 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582798 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582802 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582805 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3ccc(O)c(Cl)c3O)NC1=O)O2 ZINC000150582807 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582810 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582811 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582813 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)C1=C(N[C@@](C)(c3cc(Cl)cc(I)c3O)NC1=O)O2 ZINC000150582815 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C3=C(N[C@](C)(c4cc(Cl)ccc4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582818 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C3=C(N[C@](C)(c4cc(Cl)ccc4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582820 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C3=C(N[C@@](C)(c4cc(Cl)ccc4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582822 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C3=C(N[C@@](C)(c4cc(Cl)ccc4O)NC3=O)Oc3c2c(C)nn3-c2ccccc2)cc1 ZINC000150582824 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582850 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582854 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582857 KK Annotated Clean Cc1nn(-c2ccccc2)c2c1[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C1=C(N[C@@](C)(c3ccc(O)cc3O)NC1=O)O2 ZINC000150582860 KK Annotated Clean COC(=O)C1=C(C(=O)OC)[C@@H]2N(CCCN3c4ccccc4[C@]45CCC(=O)N(Cc6ccccc6)C4=NC(C(=O)OC)=C(C(=O)OC)[C@H]35)c3ccccc3[C@@]23CCC(=O)N(Cc2ccccc2)C3=N1 ZINC000150582875 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](C)C(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/N[C@@H](C)C(=O)O)C(=O)C(O)=C2C(C)C ZINC000150582887 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)N(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150582904 KK Annotated Bother Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(F)cc3)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150583087 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(F)cc3)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150583088 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(F)cc3)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150583090 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(F)cc3)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150583093 KK Annotated Anodyne CCCCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(C)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150583227 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCCC(=O)OC1[C@H]3CC4C[C@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150583320 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCCC(=O)OC1[C@H]3CC4C[C@@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150583323 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(=O)CCCCCCC(=O)OC1[C@@H]3CC4C[C@@H]1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)(C4)C3)CC2 ZINC000150583326 KK Annotated Anodyne C[C@@H](S[C@@H]1CO[C@@H](c2ccc3cc(C(=O)Nc4ccc(C#N)cc4)ccc3c2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000150583330 KK Annotated Mild Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4c(Cl)cccc4Cl)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583405 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4c(Cl)cccc4Cl)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583408 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(Cl)cc4)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583413 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(Cl)cc4)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583415 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc5ccccc5c4O)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583424 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc5ccccc5c4O)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583430 KK Annotated Anodyne O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583495 KK Annotated Anodyne O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@H]1[C@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583498 KK Annotated Anodyne O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583503 KK Annotated Anodyne O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)SCc1nc2c(c(=O)[nH]1)[C@H]1[C@@H](N3CCCC3)CCCCN1C(=O)N2c1ccccc1 ZINC000150583506 KK Annotated Anodyne O=C(NC(=O)N(SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000150583629 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000150583726 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)[C@@H]4c2ccc(O)cc2)cc1 ZINC000150583785 KK Annotated Anodyne O=S(=O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc([nH]3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(s3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc2n3)cc1 ZINC000150583828 KK Annotated Bother CCCCCCCCCCCCO[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150583850 KK Annotated Mild O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](c2ccco2)[C@@](C2=NCCN2Cc2ccc(Cl)nc2)([N+](=O)[O-])[C@H]1c1ccco1 ZINC000150583932 KK Annotated Bother Cc1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccc(C)s3)[C@]2(C2=NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])s1 ZINC000150583947 KK Annotated Bother Cc1ccc([C@H]2N3CCN(Cc4ccc(Cl)nc4)C3=C([N+](=O)[O-])[C@@H](c3ccc(C)o3)[C@]2(C2=NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])o1 ZINC000150583958 KK Annotated Bother COc1ccc(C(NC(=O)[C@@H]2NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](O)c3ccc(c(Cl)c3)Oc3cc(cc(O)c3OC)[C@H](C(=O)OC(C)(C)C)NC2=O)c2ccc(OC)cc2)cc1 ZINC000150584065 KK Annotated Anodyne CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC ZINC000150584124 KK Annotated Mild CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC ZINC000150584128 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(OC)cc2)C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000150584129 KK Annotated Mild COc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000150584135 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(OC)cc2)C[C@H]3c2ccc(OC)cc2)cc1 ZINC000150584142 KK Annotated Mild COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000150584146 KK Annotated Mild CCNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNC/C=C/CNCCCCNCCCCNCCCCNCCCCNCCCCNCCCCNCC ZINC000150584232 KK Annotated Anodyne O=C(NC(=O)N(SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl ZINC000150584235 KK Annotated Mild O=C(NC(=O)N(SSN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl ZINC000150584254 KK Annotated Reactive O=C(NC(=O)N(SSN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl ZINC000150584259 KK Annotated Reactive O=C(NC(=O)N(SSN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F ZINC000150584265 KK Annotated Reactive Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584318 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584320 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@H](c1ccccc1)[C@@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000150584321 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584323 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584325 KK Annotated Anodyne CN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(/C=N\N=c3/scc(-c4ccc(Br)cc4)n3-c3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 ZINC000150584387 KK Annotated Mild CCCCCCCCCCCCO[C@H]1[C@@H](OC)[C@H](OC)[C@@H](OCC#Cc2cccc3c2C(=O)O[C@]3(CO)COC(=O)C(C(C)(C)C)C(C)(C)C)[C@H](OC)[C@H]1OC ZINC000150584392 KK Annotated Mild O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](c2cccs2)[C@@](C2=NCCN2Cc2ccc(Cl)nc2)([N+](=O)[O-])[C@@H]1c1cccs1 ZINC000150584445 KK Annotated Bother CCCOc1c2cccc1Cc1cc(C(P(=O)(O)O)P(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC)Cc1cccc(c1O)C2 ZINC000150584505 KK Annotated Anodyne CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150584558 KK Annotated Bother C[N+](C)(CCCC[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150584578 KK Annotated Mild O=C(NC(=O)N(SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1c(F)cccc1F ZINC000150584600 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584670 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584676 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584681 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc([N+](=O)[O-])cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584688 KK Annotated Bother Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584693 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584696 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584699 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(O)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150584703 KK Annotated Anodyne C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)N(CC=C)CC2 ZINC000150584706 KK Annotated Mild O=C(O)c1c(O)cccc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 ZINC000150584926 KK Annotated Bother COc1ccc(-c2nc(NCCON3C(=O)c4ccccc4C3=O)nc3c2SC2=NC(c4ccccc4)(c4ccccc4)C(=O)N23)cc1 ZINC000150585049 KK Annotated Anodyne CN(C)c1ccc(-c2nc(NCCON3C(=O)c4ccccc4C3=O)nc3c2SC2=NC(c4ccccc4)(c4ccccc4)C(=O)N23)cc1 ZINC000150585053 KK Annotated Anodyne Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(Br)c1-c1ccc(OC(F)(F)[C@@H](F)Br)cc1 ZINC000150585077 KK Annotated Reactive Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(Br)c1-c1ccc(OC(F)(F)[C@H](F)Br)cc1 ZINC000150585080 KK Annotated Reactive C1=C\Cc2ccc[n+](c2)CCCCCCCC/C=C\Cc2ccc[n+](c2)CCCCCCCC/C=C\Cc2ccc[n+](c2)CCCCCCCC/1 ZINC000150585089 KK Annotated Anodyne COCCOc1ccc(-c2c3ccc(n3)c(-c3ccc(OCCOC)cc3)c3ccc([nH]3)c(-c3ccc(OCCOC)cc3)c3ccc(n3)c(-c3ccc(OCCOC)cc3)c3ccc2[nH]3)cc1 ZINC000150585163 KK Annotated Bother Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585176 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585180 KK Annotated Anodyne COc1cc(/C=C2\S[C@@H](c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)cc(OC)c1OC ZINC000150585184 KK Annotated Anodyne COc1cc(/C=C2\S[C@H](c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)cc(OC)c1OC ZINC000150585188 KK Annotated Anodyne Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\Nc1nc(-c3ccccc3)cs1)/C(=C/Nc1nc(-c3ccccc3)cs1)C(=O)C(O)=C2C(C)C ZINC000150585190 KK Annotated Mild O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4ccccc4)CC3)n2)o1 ZINC000150585251 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4ccccn4)CC3)n2)o1 ZINC000150585259 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccc(Cl)cc1 ZINC000150585398 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccc(Cl)cc1 ZINC000150585405 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCNc1nc(-c2ccc(Cl)cc2)c2c(n1)N1C(=O)C(c3ccccc3)(c3ccccc3)N=C1S2 ZINC000150585445 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCNc1nc(-c2ccccc2)c2c(n1)N1C(=O)C(c3ccccc3)(c3ccccc3)N=C1S2 ZINC000150585447 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCNc1nc(-c2ccc(F)cc2)c2c(n1)N1C(=O)C(c3ccccc3)(c3ccccc3)N=C1S2 ZINC000150585450 KK Annotated Anodyne O=S(=O)(/C=C/c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)CS(=O)(=O)/C=C/c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000150585533 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4Cl)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585544 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccccc4Cl)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585547 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000150585556 KK Annotated Clean CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000150585557 KK Annotated Clean Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)NC[C@@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150585558 KK Annotated Mild CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@]6(C)C[C@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000150585563 KK Annotated Clean CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@]6(C)C[C@@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000150585566 KK Annotated Clean Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(N(C)C)cc4)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585574 KK Annotated Clean Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(N(C)C)cc4)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585581 KK Annotated Clean Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585591 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585595 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585598 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(F)cc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585602 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585604 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585606 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585610 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5cccc(F)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150585614 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)[C@@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000150585876 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)Oc3c(I)cc4c(c3I)CN(S(=O)(=O)c3cccc5c(N(C)C)cccc35)[C@H](C(=O)O)C4)cccc12 ZINC000150585933 KK Annotated Anodyne COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(/C=C/Cc1cccc(Oc2ccc(C(C)(C)C)cc2)c1)Cc1cccc(OCc2ccccc2)c1 ZINC000150585952 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585991 KK Annotated Bother Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4cccc([N+](=O)[O-])c4)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150585993 KK Annotated Bother COc1ccc(/C=C2\S[C@@H](c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)cc1 ZINC000150586013 KK Annotated Anodyne COc1ccc(/C=C2\S[C@H](c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)cc1 ZINC000150586014 KK Annotated Anodyne COc1ccc(/C=C2\S[C@@H](c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)c(O)c1 ZINC000150586017 KK Annotated Anodyne COc1ccc(/C=C2\S[C@H](c3ccc(O)cc3)N(NC(=O)c3ccc(-n4c(-c5ccc(C)cc5)nc5ccccc5c4=O)cc3)C2=O)c(O)c1 ZINC000150586019 KK Annotated Anodyne COc1ccccc1/C=C1\S[C@@H](c2ccc(O)cc2)N(NC(=O)c2ccc(-n3c(-c4ccc(C)cc4)nc4ccccc4c3=O)cc2)C1=O ZINC000150586021 KK Annotated Anodyne COc1ccccc1/C=C1\S[C@H](c2ccc(O)cc2)N(NC(=O)c2ccc(-n3c(-c4ccc(C)cc4)nc4ccccc4c3=O)cc2)C1=O ZINC000150586025 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586030 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586034 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586036 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586039 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(O)cc4)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150586318 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(O)cc4)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150586324 KK Annotated Anodyne CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@H](C)C(O)=C1C(=O)O ZINC000150586547 KK Annotated Clean CC1=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@H](C)C(O)=C1C(=O)O ZINC000150586552 KK Annotated Clean CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(O)=C1C(=O)O ZINC000150586556 KK Annotated Clean CC1=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(O)=C1C(=O)O ZINC000150586560 KK Annotated Clean COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3cc(=O)cc(C(=O)Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)O)c(OC)c5C)c(OC)c4C)o3)c(C)c2OC)c(C)c(C)c1C(=O)O ZINC000150586575 KK Annotated Anodyne COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)CCC(=O)Oc3c(C)c(C)c(C(=O)Oc4c(C)c(C)c(C(=O)O)c(OC)c4C)c(OC)c3C)c(C)c2OC)c(C)c(C)c1C(=O)O ZINC000150586584 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150586597 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)CS[C@@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150586599 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586622 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586626 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586628 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)cc5Cl)cc4)nc(N(C)C)n3)ccc12 ZINC000150586630 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586635 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586639 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586643 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccc(Cl)c(Cl)c5)cc4)nc(N(C)C)n3)ccc12 ZINC000150586647 KK Annotated Anodyne Cc1ccc([C@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586650 KK Annotated Anodyne Cc1ccc([C@@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586654 KK Annotated Anodyne Clc1ccccc1C1C(c2nc3ccc(C4=NCCN4)cc3[nH]2)C(c2ccccc2Cl)C1c1nc2ccc(C3=NCCN3)cc2[nH]1 ZINC000150586657 KK Annotated Anodyne Cc1ccc([C@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586659 KK Annotated Anodyne Cc1ccc([C@@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150586663 KK Annotated Anodyne CC(C)NC(=N)c1ccc2nc(C3C(c4ccccc4Cl)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)C3c3ccccc3Cl)[nH]c2c1 ZINC000150586665 KK Annotated Anodyne COc1ccc(-c2cc(=O)n(-c3cccc(Cl)c3)c(N3CCCC3)c2/N=N/c2c(Cl)cc([N+](=O)[O-])c(Cl)c2Cl)cc1 ZINC000150586691 KK Annotated Clean Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150586742 KK Annotated Anodyne CN(C)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(s3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(n3)c(-c3ccc(N(C)C)cc3)c3ccc2s3)cc1 ZINC000150586754 KK Annotated Bother C[N+](C)(CCCC[N+](C)(C)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150586808 KK Annotated Mild CCN(CC)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 ZINC000150586849 KK Annotated Reactive CCN(CC)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 ZINC000150586852 KK Annotated Reactive CCN(CC)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 ZINC000150586856 KK Annotated Reactive CCN(CC)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 ZINC000150586861 KK Annotated Reactive CCN(CC)c1ccc(/C=N/c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 ZINC000150586869 KK Annotated Mild O=C1[C@@H](Cl)[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586873 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586878 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586881 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586885 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586889 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586894 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586895 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586898 KK Annotated Reactive Oc1ccc([C@H]2Cc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@H](c3ccccc3)c3c(O)cc5c(c3[C@H]2[C@@H]4c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)cc1 ZINC000150586914 KK Annotated Anodyne Oc1ccc([C@H]2Cc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3c5c(cc(O)c3[C@H]2c2ccccc2)O[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)[C@@H]4c2ccc(O)cc2)cc1 ZINC000150586917 KK Annotated Anodyne Oc1ccc([C@H]2Cc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3ccccc3)c3c(O)cc5c(c3[C@H]2[C@@H]4c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)cc1 ZINC000150586920 KK Annotated Anodyne Oc1ccc([C@H]2Cc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@H](c3c5c(cc(O)c3[C@H]2c2ccccc2)O[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)[C@@H]4c2ccc(O)cc2)cc1 ZINC000150586925 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586944 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586949 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586955 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586960 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586966 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586968 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586975 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586981 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586988 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586993 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150586998 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150587004 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150587012 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150587018 KK Annotated Reactive COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000150587022 KK Annotated Bother O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150587026 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 ZINC000150587032 KK Annotated Reactive C=CCOc1cc2c(cc1OC)[C@@]1(CS[C@@H]3c4c(OC(C)=O)c(C)c5c(c4[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]4Cc6cc(C)c(OC)c(OCC=C)c6[C@H]([C@H]31)N4C)OCO5)NCC2 ZINC000150587152 KK Annotated Mild COCCOCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@H](O)C(O)=C4/C=N/CCOCCOCCOCCOC)C=C3C)c(O)c12 ZINC000150587224 KK Annotated Mild COCCOCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@H](O)C(O)=C4/C=N/CCOCCOCCOCCOC)C=C3C)c(O)c12 ZINC000150587228 KK Annotated Mild COCCOCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@@H](O)C(O)=C4/C=N/CCOCCOCCOCCOC)C=C3C)c(O)c12 ZINC000150587231 KK Annotated Mild COCCOCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@@H](O)C(O)=C4/C=N/CCOCCOCCOCCOC)C=C3C)c(O)c12 ZINC000150587235 KK Annotated Mild CC(=O)Oc1ccc([C@@H]2c3c(OC(C)=O)cc(OC(C)=O)cc3[C@@H]3c4c(OC(C)=O)cc(OC(C)=O)cc4[C@@H]2[C@H]3c2ccc(OC(C)=O)cc2)cc1 ZINC000150587253 KK Annotated Anodyne Cc1ccc([C@H]2C([N+](=O)[O-])=C3N(Cc4ccc(Cl)nc4)CCN3[C@H](c3ccc(C)s3)[C@@]2(C2=NCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])s1 ZINC000150587361 KK Annotated Bother O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](c2cccs2)[C@@](C2=NCCN2Cc2ccc(Cl)nc2)([N+](=O)[O-])[C@H]1c1cccs1 ZINC000150587364 KK Annotated Bother Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150587370 KK Annotated Reactive COC(=O)C1=C(O)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@@H](c3ccc(OC(=O)/C(=C/c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)C[C@@H]1[C@@H]2C(=O)OC ZINC000150587405 KK Annotated Anodyne COC(=O)C1=C(O)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@@H](c3ccc(OC(=O)/C(=C/c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc3)C[C@@H]1[C@@H]2C(=O)OC ZINC000150587410 KK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1C(F)(F)F ZINC000150587553 KK Annotated Mild COc1ccc(CN2CCN(c3nc(Nc4ccc(C#N)c(C(F)(F)F)c4)nc(Oc4ncnc5ccccc45)n3)CC2)c(OC)c1OC ZINC000150587563 KK Annotated Mild O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000150587678 KK Annotated Mild CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)OC)[C@H]3C[C@H](OC(C)=O)[C@H](C)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150587711 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)OC)[C@H]3C[C@H](OC(C)=O)[C@H](C)[C@@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000150587713 KK Annotated Mild O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)o1 ZINC000150587893 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)o1 ZINC000150587896 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)o1 ZINC000150587902 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4ccccc4F)CC3)n2)o1 ZINC000150587905 KK Annotated Anodyne COc1ccc(/N=N/c2cc(/C=N/c3ccc(Oc4cccc(/N=C/c5cc(/N=N/c6ccc(OC)cc6)cc(OC)c5O)c4)cc3)c(O)c(OC)c2)cc1 ZINC000150587959 KK Annotated Mild COc1ccc(/N=N/c2cc(/C=N/c3ccc(S(=O)(=O)c4cccc(/N=C/c5cc(/N=N/c6ccc(OC)cc6)cc(OC)c5O)c4)cc3)c(O)c(OC)c2)cc1 ZINC000150587960 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1C(F)(F)F ZINC000150587987 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000150587991 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ncnc4ccccc34)nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000150587994 KK Annotated Mild O=S(=O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(F)cc3)c3ccc(s3)c(-c3ccc(F)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc2[nH]3)cc1 ZINC000150588009 KK Annotated Bother COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(OCCO)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC ZINC000150588023 KK Annotated Mild CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 ZINC000150588039 KK Annotated Reactive CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 ZINC000150588042 KK Annotated Reactive CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 ZINC000150588047 KK Annotated Reactive CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 ZINC000150588051 KK Annotated Reactive O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000150588056 KK Annotated Mild CCc1ccc(S(=O)(=O)Oc2ccc(CO[C@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@@]4(Cl)C(=O)OC[C@H]34)OCO5)cc2)cc1 ZINC000150588075 KK Annotated Anodyne CCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150588098 KK Annotated Bother O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccc(Cl)cc2)cc1 ZINC000150588102 KK Annotated Mild COc1cc(/C=N/c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC ZINC000150588112 KK Annotated Mild CN(C)c1ccc(/C=N/c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 ZINC000150588122 KK Annotated Mild CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)[C@@H](C)OCc1ccccc1 ZINC000150588132 KK Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@@H](CCC(N)=O)[C@H](C)OCc1ccccc1 ZINC000150588138 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588311 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588313 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588316 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5Br)cc4)nc(N(C)C)n3)ccc12 ZINC000150588319 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C(=O)c1ccccc1)[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H](C#N)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4 ZINC000150588381 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1cccc(C(=O)c2ccc(N(C)C)cc2)c1)C[C@H]1OC[C@]13OC(C)=O ZINC000150588386 KK Annotated Anodyne O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1ccc(Cl)cc1)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1ccc(Cl)cc1 ZINC000150588448 KK Annotated Clean C#CCN(C[C@@H]1[C@@H](OC(=O)NCc2ccc(OC)c(OC)c2)[C@@H](OC(=O)NCc2ccc(OC)c(OC)c2)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000150588582 KK Annotated Mild COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150588595 KK Annotated Bother O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccccc2O)cc1 ZINC000150588606 KK Annotated Mild O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000150588611 KK Annotated Mild O=c1c2cc(Br)ccc2nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccc(/N=C/c2ccccc2Cl)cc1 ZINC000150588615 KK Annotated Mild COc1ccc(S(=O)(=O)Oc2ccc(CO[C@H]3c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@@]4(Cl)C(=O)OC[C@H]34)OCO5)cc2)cc1 ZINC000150588622 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccc(OS(=O)(=O)c5ccc(Cl)cc5)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150588626 KK Annotated Anodyne COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(=O)O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H]2[C@@H]1C[C@H](OC(C)=O)[C@@H]2C ZINC000150588656 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)o1 ZINC000150588719 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000150588775 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000150588780 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@H]5c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000150588782 KK Annotated Anodyne Cc1cc(=O)oc2cc(Oc3nc(Nc4ccc(N5C(=O)[C@H](CN6CCN(c7ccccn7)CC6)S[C@@H]5c5ccccc5C(=O)O)cc4)nc(N(C)C)n3)ccc12 ZINC000150588784 KK Annotated Anodyne COc1ccc([C@@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588785 KK Annotated Anodyne COc1ccc([C@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588786 KK Annotated Anodyne COc1ccc([C@@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588787 KK Annotated Anodyne COc1ccc([C@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1 ZINC000150588788 KK Annotated Anodyne COc1ccc([C@@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588789 KK Annotated Anodyne COc1ccc([C@H]2S[C@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588790 KK Annotated Anodyne COc1ccc([C@@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588791 KK Annotated Anodyne COc1ccc([C@H]2S[C@@H](CN3CCN(c4ccccn4)CC3)C(=O)N2c2ccc(Nc3nc(Oc4ccc5c(C)cc(=O)oc5c4)nc(N(C)C)n3)cc2)cc1OC ZINC000150588792 KK Annotated Anodyne C[N+](C)(C/C=C/C[N+](C)(C)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150588814 KK Annotated Mild CCCC(=O)N[C@@H](C(C)C)[C@H](CC(=O)OC[C@@H](O)c1nc(C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@@H](C)C(=O)O[C@@H](c2nc(C(=O)OC)cs2)[C@](C)(O)CC)cs1)OC(C)=O ZINC000150588826 KK Annotated Anodyne O=[N+]([O-])C1=C2N(Cc3ccc(Cl)nc3)CCN2[C@H](c2ccco2)[C@@](C2=NCCN2Cc2ccc(Cl)nc2)([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000150588833 KK Annotated Bother Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)N3S(=O)(=O)c2ccccc2C)cc1 ZINC000150588927 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccc(OS(=O)(=O)c5ccccc5)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589011 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccc(OS(=O)(=O)c5ccc(C)cc5)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589014 KK Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCCCCCCC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000150589030 KK Annotated Reactive COc1ccc(CN2CCN(c3nc(Oc4cccc5cccnc45)nc(Sc4nnc(-c5cc6ccccc6oc5=O)o4)n3)CC2)c(OC)c1OC ZINC000150589068 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Oc4cccc5cccnc45)nc(Sc4nnc(-c5cc6ccccc6oc5=O)o4)n3)CC2)cc1 ZINC000150589073 KK Annotated Clean O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)o1 ZINC000150589102 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4cccc(Cl)c4Cl)CC3)n2)o1 ZINC000150589108 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccc(OS(=O)(=O)c5cccc([N+](=O)[O-])c5)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589235 KK Annotated Bother COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccc(OS(=O)(=O)c5ccc(Cl)c([N+](=O)[O-])c5)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589238 KK Annotated Bother COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3OS(=O)(=O)c3ccccc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589241 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3OS(=O)(=O)c3ccc(C)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589244 KK Annotated Anodyne CCCCCCCCCC1c2cc(c(O)cc2O)C(CCCCCCCCC)c2cc(c(O)cc2O)C(CCCCCCCCC)c2cc(c(O)cc2O)C(CCCCCCCCC)c2cc1c(O)cc2O ZINC000150589249 KK Annotated Mild CCc1ccc(S(=O)(=O)Oc2ccccc2CO[C@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]3(Cl)C(=O)OC[C@H]23)OCO4)cc1 ZINC000150589269 KK Annotated Anodyne COc1ccc(S(=O)(=O)Oc2ccccc2CO[C@H]2c3cc4c(cc3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]3(Cl)C(=O)OC[C@H]23)OCO4)cc1 ZINC000150589273 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589276 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3[C@H](OCc3ccccc3OS(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]3COC(=O)[C@]23Cl)OCO4)cc(OC)c1OC ZINC000150589278 KK Annotated Bother CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)[C@H](N)CCC/N=C(\N)NC(=O)CNCCCNCCCCNCCCN ZINC000150589332 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)[C@@H](N)CCC/N=C(\N)NC(=O)CNCCCNCCCCNCCCN ZINC000150589335 KK Annotated Mild Cc1cc(O)c2c(c1)[C@H]1c3c(cc(O)cc3[C@@H]([C@@H]3c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150589371 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]1c3c(cc(O)cc3[C@H]([C@@H]3c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150589373 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]1c3c(cc(O)cc3[C@@H]([C@H]3c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150589375 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]1c3c(cc(O)cc3[C@H]([C@H]3c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150589378 KK Annotated Anodyne COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC ZINC000150589858 KK Annotated Reactive COc1cc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC ZINC000150589864 KK Annotated Reactive COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC ZINC000150589870 KK Annotated Reactive COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC ZINC000150589875 KK Annotated Reactive Fc1ccccc1/C=N/n1c(C(F)(F)F)nn(CN2CCN(Cn3nc(C(F)(F)F)n(/N=C/c4ccccc4F)c3=S)CC2)c1=S ZINC000150590047 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)CNCCN(CCCN)CCCCN(CCCN)CCCN ZINC000150590075 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)c(Br)c1 ZINC000150590081 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/NC(C)(C)C(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/NC(C)(C)C(=O)O)C(=O)C(O)=C2C(C)C ZINC000150590288 KK Annotated Mild COc1ccc(-n2c(=S)sc3c(=O)n(-c4ccc(Br)cc4)c(Nc4ccc(Br)cc4)nc32)cc1 ZINC000150590302 KK Annotated Anodyne O=c1c2sc(=S)n(-c3ccc(F)c(Cl)c3)c2nc(Nc2ccc(Br)cc2)n1-c1ccc(Br)cc1 ZINC000150590309 KK Annotated Anodyne O=c1c2sc(=S)n(-c3ccc(Cl)c(Cl)c3)c2nc(Nc2ccc(Br)cc2)n1-c1ccc(Br)cc1 ZINC000150590318 KK Annotated Anodyne COc1ccc(/C=N/n2c(C(F)(F)F)nn(CN3CCN(Cn4nc(C(F)(F)F)n(/N=C/c5ccc(OC)cc5)c4=S)CC3)c2=S)cc1 ZINC000150590390 KK Annotated Mild O=C(NCc1cccc(CNC(=O)N(/C(=N\C2CCCCC2)N2CCOCC2)C2CCCCC2)c1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150590392 KK Annotated Mild Cc1ccc(/C=N/n2c(C(F)(F)F)nn(CN3CCN(Cn4nc(C(F)(F)F)n(/N=C/c5ccc(C)c(C)c5)c4=S)CC3)c2=S)cc1C ZINC000150590393 KK Annotated Mild O=C(NCc1cccc(CNC(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)c1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150590395 KK Annotated Mild COc1ccc(-c2c3ccc(n3)c(-c3ccc(OC)cc3)c3ccc([nH]3)c(-c3ccc(OP(=O)(NCCCl)NCCCl)cc3)c3ccc(n3)c(-c3ccc(OC)cc3)c3ccc2[nH]3)cc1 ZINC000150590462 KK Annotated Reactive O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2cccc([N+](=O)[O-])c2)C1 ZINC000150590691 KK Annotated Bother O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2cccc([N+](=O)[O-])c2)C1 ZINC000150590695 KK Annotated Bother O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000150590699 KK Annotated Bother O=c1c2cc(I)ccc2nc(Cc2ccccc2Nc2ccccc2)n1NC1=NN[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000150590703 KK Annotated Bother COc1ccccc1[C@@H]1CC(Nn2c(Cc3ccccc3Nc3ccccc3)nc3ccc(I)cc3c2=O)=NN1 ZINC000150590706 KK Annotated Anodyne COc1ccccc1[C@H]1CC(Nn2c(Cc3ccccc3Nc3ccccc3)nc3ccc(I)cc3c2=O)=NN1 ZINC000150590709 KK Annotated Anodyne COc1ccc([C@@H]2CC(Nn3c(Cc4ccccc4Nc4ccccc4)nc4ccc(I)cc4c3=O)=NN2)cc1 ZINC000150590711 KK Annotated Anodyne COc1ccc([C@H]2CC(Nn3c(Cc4ccccc4Nc4ccccc4)nc4ccc(I)cc4c3=O)=NN2)cc1 ZINC000150590713 KK Annotated Anodyne CN(C)c1ccc([C@@H]2CC(Nn3c(Cc4ccccc4Nc4ccccc4)nc4ccc(I)cc4c3=O)=NN2)cc1 ZINC000150590718 KK Annotated Clean CN(C)c1ccc([C@H]2CC(Nn3c(Cc4ccccc4Nc4ccccc4)nc4ccc(I)cc4c3=O)=NN2)cc1 ZINC000150590719 KK Annotated Clean Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4cc(Br)ccc4O)S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150590723 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4cc(Br)ccc4O)S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150590726 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc(O)c4c(c3[C@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3ccc(O)cc3)c3c(O)cc5c(c3[C@H]2[C@@H]4c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000150590734 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1nnc(Sc2nc(Oc3cccc4cccnc34)nc(N3CCN(c4ccc(F)cc4)CC3)n2)o1 ZINC000150590767 KK Annotated Anodyne COc1c(C)c(OC(C)=O)c(C(C)=O)c(OC(C)=O)c1Cc1c(OC(C)=O)c2c(c(C(=O)C(C)C)c1OC(C)=O)OC(C)(C)C=C2 ZINC000150590787 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H](C(=O)O)C(C)C)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](C(=O)O)C(C)C)C(=O)C(O)=C2C(C)C ZINC000150590892 KK Annotated Mild CC[C@H](C)[C@H](N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@H](C(=O)O)[C@@H](C)CC)C(=O)C(O)=C4C(C)C)c(O)c21)C(=O)O ZINC000150590898 KK Annotated Mild O=C1c2cccc3c(Br)ccc(c23)C(=O)N1N(Cc1cn(Cc2ccc(Cl)cc2Cl)nn1)Cc1cn(Cc2ccc(Cl)cc2Cl)nn1 ZINC000150590950 KK Annotated Anodyne COc1c2c(c(OCc3ccccc3)c3c1C(=O)c1c(cc(OCc4ccccc4)c(C)c1OCc1ccccc1)C3=O)-c1c(cc3cnn(CC(=O)O)c(=O)c3c1OCc1ccccc1)CC2 ZINC000150591056 KK Annotated Clean CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000150591060 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(OC[C@@H]3CO3)c(I)c2)c(I)c1)C(=O)OC[C@@H]1CO1 ZINC000150591075 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(Oc2cc(I)c(OC[C@@H]3CO3)c(I)c2)c(I)c1)C(=O)OC[C@@H]1CO1 ZINC000150591078 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(OC[C@H]3CO3)c(I)c2)c(I)c1)C(=O)OC[C@@H]1CO1 ZINC000150591082 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1cc(I)c(Oc2cc(I)c(OC[C@H]3CO3)c(I)c2)c(I)c1)C(=O)OC[C@@H]1CO1 ZINC000150591084 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](Cc1c[nH]cn1)C(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/N[C@@H](Cc1c[nH]cn1)C(=O)O)C(=O)C(O)=C2C(C)C ZINC000150591308 KK Annotated Mild COc1cc([C@@H]2c3cc(OC(=O)OCc4ccccc4)c(OC(=O)OCc4ccccc4)cc3[C@@H](O[C@@H]3O[C@@H]4CO[C@@H](C)O[C@H]4[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)cc(OC)c1O ZINC000150591372 KK Annotated Anodyne O=C1CCN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=S)N1CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150591381 KK Annotated Mild CSc1ccc(/C=C2/C(C)=C(CC(=O)OCCOCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000150591446 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000150591469 KK Annotated Mild CSc1ccc(/C=C2/C(C)=C(CC(=O)OC/C=C\COc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000150591490 KK Annotated Anodyne CC1=C(CC(=O)OCc2cccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591499 KK Annotated Anodyne CC1=C(CC(=O)OCc2cccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591503 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)OCc3cccc(Oc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c3)c3cc(F)ccc32)cc1 ZINC000150591508 KK Annotated Anodyne Nc1c(Br)cc(C(=O)O)c(-c2c3cc(Br)c(=O)c(Br)c-3oc3c(Br)c(O)c(Br)cc23)c1Br ZINC000150591509 KK Annotated Bother CC1=C(CC(=O)OCc2cccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591513 KK Annotated Anodyne CC1=C(CC(=O)Oc2cccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591516 KK Annotated Anodyne CC1=C(CC(=O)Oc2cccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591521 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)Oc3cccc(Oc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)c3)c3cc(F)ccc32)cc1 ZINC000150591527 KK Annotated Anodyne CC1=C(CC(=O)Oc2cccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591531 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3Cl)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150591554 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3Cl)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150591560 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3Cl)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150591562 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3Cl)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150591566 KK Annotated Anodyne N#CSc1ccc(C(=O)O)c(-c2c3cc(I)c(=O)c(I)c-3oc3c(I)c(O)c(I)cc23)c1 ZINC000150591571 KK Annotated Reactive O=C(N[C@H]1c2ccccc2C/C=C/COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000150591614 KK Annotated Anodyne CCCCCCCCCCC[C@H](OC(=O)CC(=O)N1CCN(/[N+]([O-])=N/OC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000150591720 KK Annotated Mild CCCCCCCCCCC[C@@H](OC(=O)CC(=O)N1CCN(/[N+]([O-])=N/OC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000150591725 KK Annotated Mild CCCCCCCCCCC[C@H](OC(=O)CCC(=O)N1CCN(/[N+]([O-])=N/OC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000150591729 KK Annotated Mild CCCCCCCCCCC[C@@H](OC(=O)CCC(=O)N1CCN(/[N+]([O-])=N/OC)CC1)C1=CC(=C(Br)Br)OC1=O ZINC000150591734 KK Annotated Mild CC[C@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000150591781 KK Annotated Mild CC[C@@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000150591785 KK Annotated Mild COc1ccc([C@H]2Nc3ccccc3N=C3[C@H]2S[C@@H](/C=C/c2ccccc2)N3NC(=O)c2c(C)csc2NC(=O)c2ccccc2)cc1 ZINC000150591823 KK Annotated Anodyne COc1ccc([C@H]2Nc3ccccc3N=C3[C@@H]2S[C@@H](/C=C/c2ccccc2)N3NC(=O)c2c(C)csc2NC(=O)c2ccccc2)cc1 ZINC000150591833 KK Annotated Anodyne CC1=C(CC(=O)OCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591923 KK Annotated Anodyne CC1=C(CC(=O)OCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591931 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)OCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000150591936 KK Annotated Anodyne CC1=C(CC(=O)OCCCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1 ZINC000150591945 KK Annotated Anodyne CC1=C(CC(=O)OCCCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1 ZINC000150591948 KK Annotated Anodyne CSc1ccc(/C=C2/C(C)=C(CC(=O)OCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)c3cc(F)ccc32)cc1 ZINC000150591954 KK Annotated Anodyne CC1=C(CC(=O)OCCCCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2/C1=C\c1ccc(S(C)(=O)=O)cc1 ZINC000150591958 KK Annotated Anodyne O=C1/C(=N\c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=C(Nc2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c2ccccc21 ZINC000150592032 KK Annotated Mild O=C1/C(=N\c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=C(Nc2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c2ccccc21 ZINC000150592038 KK Annotated Mild O=C1/C(=N\c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=C(Nc2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c2ccccc21 ZINC000150592043 KK Annotated Mild O=C(CSc1nnc(-c2ccc3ncccc3c2)n1-c1cccc2ccccc12)Nc1nc2ccc(I)cc2s1 ZINC000150592062 KK Annotated Anodyne Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\NC[C@H]1CCCN3CCCC[C@H]13)/C(=C/NC[C@@H]1CCCN3CCCC[C@H]13)C(=O)C(O)=C2C(C)C ZINC000150592240 KK Annotated Mild CC[C@@H](C)[C@H](NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000150592269 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000150592271 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N+](C)(CCCOC(=O)C[C@H](F)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150592314 KK Annotated Bother Oc1ccc([C@H]2Oc3cc(O)c([C@H]4[C@@H](c5ccc(O)cc5)O[C@@H](c5ccc(O)cc5)[C@@H]4c4cc5c(cc4O)O[C@H](c4ccc(O)cc4)[C@H]5c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000150592392 KK Annotated Anodyne COCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@H](O)C(O)=C4/C=N/CCOCCOCCOC)C=C3C)c(O)c12 ZINC000150592553 KK Annotated Mild COCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@H](O)C(O)=C4/C=N/CCOCCOCCOC)C=C3C)c(O)c12 ZINC000150592554 KK Annotated Mild COCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@@H](O)C(O)=C4/C=N/CCOCCOCCOC)C=C3C)c(O)c12 ZINC000150592556 KK Annotated Mild COCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@@H](O)C(O)=C4/C=N/CCOCCOCCOC)C=C3C)c(O)c12 ZINC000150592559 KK Annotated Mild COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 ZINC000150592566 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 ZINC000150592568 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150592650 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592832 KK Annotated Bother Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592834 KK Annotated Bother Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592837 KK Annotated Bother Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592840 KK Annotated Bother Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592842 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592844 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592846 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccc(N(C)C)cc3)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592851 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592860 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592863 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000150592867 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@H](c3ccccc3O)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000150592870 KK Annotated Clean CCC/C=C\c1ccccc1/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OCc1c[nH]c(=O)[nH]c1=O ZINC000150592920 KK Annotated Anodyne Cc1c(O)c(CN[C@@H](C)c2ccccc2)c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(=O)O)c(O)c3C)c(O)c2C)c1O ZINC000150592930 KK Annotated Clean Cc1c(O)c(CN[C@H](C)c2ccccc2)c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(=O)O)c(O)c3C)c(O)c2C)c1O ZINC000150592934 KK Annotated Clean C=C[C@H]1C[C@]1(NC(=O)[C@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O ZINC000150592947 KK Annotated Mild C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O ZINC000150592948 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@@H](Oc2cc(-c3csc(NC(=O)C(C)C)n3)nc3c(Br)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)C(=O)O ZINC000150592949 KK Annotated Mild Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150592960 KK Annotated Anodyne Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000150592962 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000150592971 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@](=O)(O)Cc6ccccc6OC)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150593002 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@](=O)(O)Cc6ccccc6OC)C[C@H]5CCCCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150593003 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc2c(c1)C(=O)c1ccccc1-2)C[C@H]1OC[C@]13OC(C)=O ZINC000150593248 KK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)Oc2ccc(C(=O)[C@H](C)[C@H](C)C(=O)c3ccc(O[C@H](C)[C@H](O)c4ccc5c(c4)OCO5)c(OC)c3)cc2OC)cc1OC ZINC000150593250 KK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@@]4(c5ccc(O[C@H](C)[C@H](O)c6ccc(OC)c(OC)c6)c(OC)c5)O[C@@]4(C)[C@H]3C)cc2OC)cc1OC ZINC000150593252 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000150593289 KK Annotated Reactive COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000150593293 KK Annotated Reactive CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150593295 KK Annotated Anodyne CC[S@@+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S@+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S@+](C)CC)cc3)c3ccc2[nH]3)cc1 ZINC000150593332 KK Annotated Mild CCCC[C@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(-c2ccncc2)o1 ZINC000150593373 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(-c2ccncc2)o1 ZINC000150593379 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(-c2cccnc2)o1 ZINC000150593411 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(-c2cccnc2)o1 ZINC000150593415 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(-c2ccccc2)o1 ZINC000150593418 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nnc(-c2ccccc2)o1 ZINC000150593421 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ncccc2o1 ZINC000150593424 KK Annotated Anodyne CCCC[C@H](NC(=O)[C@H](Cc1c(F)cccc1F)NC(=O)c1ccc(-c2ccccc2Cl)cc1)C(=O)c1nc2ncccc2o1 ZINC000150593427 KK Annotated Anodyne O=C(C[C@@H](CCOCC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(Cl)cc1Cl)NOC(=O)NCc1ccccc1 ZINC000150593436 KK Annotated Mild O=C(C[C@H](CCOCC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(Cl)cc1Cl)NOC(=O)NCc1ccccc1 ZINC000150593439 KK Annotated Mild Cc1cc(O)c2c(c1)[C@@H]1c3c(cc(O)cc3[C@@H]([C@@H]3c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150593522 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H]1c3c(cc(O)cc3[C@H]([C@@H]3c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150593529 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H]1c3c(cc(O)cc3[C@@H]([C@H]3c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150593534 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H]1c3c(cc(O)cc3[C@H]([C@H]3c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]3c3ccc(O)cc3)[C@H](c3ccc(O)cc3)O5)[C@@H]2c2ccc(O)cc2)O[C@H]1c1ccc(O)cc1 ZINC000150593535 KK Annotated Anodyne N#CC1(NC(=O)[C@H](Cc2c(F)cccc2F)NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)CCN(CC(F)(F)F)CC1 ZINC000150593558 KK Annotated Mild NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCCN2CCCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593680 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCCN2CCCC2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593684 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@H](COC(=O)NCCc2c[nH]cn2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593691 KK Annotated Anodyne NC(=O)c1c(F)ccc(O[C@@H](COC(=O)NCCc2c[nH]cn2)c2nc(-c3ccc(C(F)(F)F)cc3)c(Br)o2)c1F ZINC000150593695 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N(CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000150593715 KK Annotated Anodyne CC[C@]12C=CCN3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6([C@@H](C)O)C=CCN7CC[C@@]45[C@@H]76)C1)[C@@H]32 ZINC000150593869 KK Annotated Anodyne CC[C@]12C=CCN3Cc4c(n(c5ccccc5c4=O)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]45[C@@H]76)C1)[C@@H]32 ZINC000150593881 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2c(Br)cc(Br)c(Br)c2C1)N1CCc2c(Br)cc(Br)c(Br)c2C1 ZINC000150593900 KK Annotated Anodyne COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)N(CC(=O)c3ccc(OCc4ccccc4)c(OC)c3)C2=O)cc1OC ZINC000150593971 KK Annotated Anodyne C=CCOc1cc(CN2C(=O)C(c3ccc(OC)c(OC)c3)=C(c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OCC=C)c1OCC=C ZINC000150593981 KK Annotated Mild COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)Nc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150594020 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)Nc3cccc4ccccc34)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150594024 KK Annotated Anodyne Cc1csc(-c2nc(COc3c4cc(CCN)cc3Cc3cc(CCN)cc(c3O)Cc3cc(CCN)cc(c3OCc3csc(-c5nc(C)cs5)n3)Cc3cc(CCN)cc(c3O)C4)cs2)n1 ZINC000150594109 KK Annotated Anodyne CC1=CC2=C(C(C)C)[C@H](O)C(=O)/C(=C\NCCc3cccs3)[C@@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCc1cccs1)C(=O)C(O)=C2C(C)C ZINC000150594119 KK Annotated Mild CC1=CC2=C(C(C)C)[C@H](O)C(=O)/C(=C\NCCc3cccs3)[C@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCc1cccs1)C(=O)C(O)=C2C(C)C ZINC000150594121 KK Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(=O)/C(=C\NCCc3cccs3)[C@@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCc1cccs1)C(=O)C(O)=C2C(C)C ZINC000150594124 KK Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(=O)/C(=C\NCCc3cccs3)[C@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCc1cccs1)C(=O)C(O)=C2C(C)C ZINC000150594126 KK Annotated Mild CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N[C@@H](CCC(N)=O)[C@@H](C)OCc1ccccc1 ZINC000150594131 KK Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N[C@@H](CCC(N)=O)[C@H](C)OCc1ccccc1 ZINC000150594134 KK Annotated Anodyne O=C(NCc1cccc(CNC(=O)C23CC4C[C@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1)OCC1c2ccccc2-c2ccccc21 ZINC000150594161 KK Annotated Reactive O=C(NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@@H](C4)C3)c1)OCC1c2ccccc2-c2ccccc21 ZINC000150594169 KK Annotated Reactive O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O ZINC000150594198 KK Annotated Mild COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)O[C@H]3C[C@H]4OC[C@@]4(OC(C)=O)[C@H]4[C@H](OCc5ccccc5)[C@]5(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]34C)C5(C)C)cc2)cc1 ZINC000150594237 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000150594497 KK Annotated Reactive CC(=O)N[C@@H](Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000150594499 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)Nc3cccc(Oc4ccccc4)c3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150594695 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)Nc3cccc(Oc4ccccc4)c3)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000150594698 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000150594737 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000150594739 KK Annotated Anodyne O=c1c(I)cc2c(-c3cc(Cl)c(Cl)c(Cl)c3Cl)c3cc(I)c(O)c(I)c3oc-2c1I ZINC000150594841 KK Annotated Bother CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(CCCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12 ZINC000150594848 KK Annotated Clean O=C1/C(=C\c2cn(CCCOc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3)c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000150594853 KK Annotated Clean CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(CCCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc12 ZINC000150594857 KK Annotated Clean CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccc(F)cc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150594870 KK Annotated Anodyne CC(C)C[C@@]1(C2=C(O)[C@](Cc3ccccc3)(C[C@H](O)[C@@H](CC(=O)OC(C)(C)C)Cc3ccccc3)N=C2)N=CC([C@@H](Cc2ccccc2)C(N)=O)=C1O ZINC000150594873 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1cccc(NC(=O)c2ccccc2)c1)C[C@H]1OC[C@]13OC(C)=O ZINC000150594925 KK Annotated Anodyne O=P(Oc1ccccc1)(Oc1ccccc1)N1CCN=C1N/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(Oc2ccccc2)Oc2ccccc2)c2ccccc12 ZINC000150594956 KK Annotated Mild N=c1c2c([nH]c(=S)n1-c1ccc(Br)cc1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000150594960 KK Annotated Mild N=c1c2c([nH]c(=S)n1-c1ccc(Br)cc1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000150594966 KK Annotated Mild CCN(c1cc2oc(-c3ccc(F)cc3)c(-c3ncc[nH]3)c2c(F)c1-c1cc(C(=O)NC2(c3ncccn3)CC2)c(OC)cc1C)S(C)(=O)=O ZINC000150595076 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5c(=O)[nH]c([C@@H]6C[C@@H]7CCCC[C@@H]7N6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)ccc3c2)[nH]1)C(C)C ZINC000150595079 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc4cc(-c5cnc([C@@H]6C[C@H]7C[C@H]7N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4c3)ccc2c(=O)[nH]1)C(C)C ZINC000150595080 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc(-c3ccc4cc(-c5ccc6c(=O)[nH]c([C@@H]7C[C@H]8C[C@H]8N7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6c5)ccc4c3)[nH]1)OCCO2)C(C)C ZINC000150595083 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CCCCc1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150595114 KK Annotated Anodyne C=C1[C@H](c2ccc(O)c(OC)c2)O[C@H](c2ccc(O)c(OC)c2)[C@@]12CCC1=C(C2)[C@@H](c2ccc(O)c(OC)c2)O[C@H]1c1ccc(O)c(OC)c1 ZINC000150595194 KK Annotated Mild CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)Cc4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c([C@@H](C)OCc1cccc([124I])c1)c4C)c(C)c3CCC(=O)O ZINC000150595211 KK Annotated Bother CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000150595213 KK Annotated Bother CCCCCC[C@H](C)CCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000150595216 KK Annotated Bother COC(=O)C1=C(C(=O)OC)[C@@H]2N(CCCCCN3c4ccccc4[C@]45CCC(=O)N(Cc6ccccc6)C4=NC(C(=O)OC)=C(C(=O)OC)[C@H]35)c3ccccc3[C@@]23CCC(=O)N(Cc2ccccc2)C3=N1 ZINC000150595297 KK Annotated Anodyne O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000150595311 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)Nc1cccc(NC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c1 ZINC000150595317 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)Nc1ccc(NC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1 ZINC000150595320 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCc1cccc(CNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c1 ZINC000150595322 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCCN1CCN(CCCNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 ZINC000150595326 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCCNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000150595328 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCCCNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 ZINC000150595334 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCc1cccc(CNC(=O)CC2CCC3(CC2)OOC2(CCCCC2)OO3)c1 ZINC000150595339 KK Annotated Reactive O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCCCN1CCN(CCCNC(=O)CC2CCC3(CC2)OOC2(CCCCC2)OO3)CC1 ZINC000150595344 KK Annotated Reactive CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H]6C[C@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1 ZINC000150595346 KK Annotated Reactive CC(C)/N=C(/NCCCCn1cc(-c2ccc3ccc4ccc(-c5cn(CCCCN/C(=N\C(C)C)NC(C)C)nn5)nc4c3n2)nn1)NC(C)C ZINC000150595373 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(OC(=O)c2ccc(O)cc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150595375 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@H]2c2ccccc2)OC1=O ZINC000150595391 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000150595395 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000150595400 KK Annotated Anodyne Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150595403 KK Annotated Reactive CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000150595405 KK Annotated Anodyne CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]2(O)C[C@H](OC(C)=O)C(C)=C1C2(C)C ZINC000150595409 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccc(F)c(F)c1)[N+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000150595493 KK Annotated Bother CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)/C=C/c4ccc(OC(=O)c5ccccc5)cc4)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@]13OC(C)=O ZINC000150595504 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(OC(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150595511 KK Annotated Anodyne COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)O[C@H]3C[C@H]4OC[C@@]4(OC(C)=O)[C@H]4[C@H](OCc5ccccc5)[C@]5(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]34C)C5(C)C)cc2)c1 ZINC000150595536 KK Annotated Anodyne O=C1O[C@@](c2cc(I)c(O)c(I)c2)(C2C=C(I)C(O)C(I)=C2)c2ccccc21 ZINC000150595760 KK Annotated Anodyne O=C1O[C@](c2cc(I)c(O)c(I)c2)(C2C=C(I)C(O)C(I)=C2)c2ccccc21 ZINC000150595762 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(Cl)cccc5[C@@H](Nc5ccccc5Cl)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150595836 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@@H]4O[C@H](COC(=O)[C@@H]5OC(C)(C)N(C(=O)c6ccccc6)[C@H]5c5ccccc5)[C@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000150595846 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@@H]4O[C@H](COC(=O)[C@@H]5OC(C)(C)N(C(=O)c6ccccc6)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000150595853 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@@H]4O[C@@H](COC(=O)[C@@H]5OC(C)(C)N(C(=O)c6ccccc6)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000150595855 KK Annotated Anodyne CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)C(F)(F)F)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C ZINC000150595857 KK Annotated Anodyne CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](NC(=O)c2ccccc2)CC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C ZINC000150595859 KK Annotated Anodyne O=C(O)c1cccc([N+](=O)[O-])c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 ZINC000150595871 KK Annotated Bother C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCCN1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@H]4C(C)(C)[C@H](O)CC[C@@]42C)C1=O)C3=O ZINC000150595984 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCCCN1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@H]4C(C)(C)[C@H](O)CC[C@@]42C)C1=O)C3=O ZINC000150595988 KK Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]45[C@@H]76)C1)[C@@H]32 ZINC000150596020 KK Annotated Anodyne C=C[C@]12C=C[C@H](c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CCN6CC[C@@]34[C@@H]65)N3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000150596028 KK Annotated Mild C=C[C@]12C=C[C@@H](c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CCN6CC[C@@]34[C@@H]65)N3CC[C@@]4(c5ccccc5NC(=O)[C@]4(C(=O)OC)C1)[C@@H]32 ZINC000150596034 KK Annotated Mild C=C[C@@]12C=CCN3[C@@H]1[C@@]1(C[C@@H]3c3cc4c(cc3O)NC3=C(C(=O)OC)C[C@]5(CC)C=CCN6CC[C@@]34[C@@H]65)c3ccccc3NC(=O)[C@]1(C(=O)OC)C2 ZINC000150596040 KK Annotated Mild CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c([C@H]5C=C[C@@]6(CC)CC(C(=O)OC)=C7Nc8cc(O)ccc8[C@@]78CCN5[C@@H]68)cc14)[C@@H]32 ZINC000150596048 KK Annotated Clean CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c([C@@H]5C=C[C@@]6(CC)CC(C(=O)OC)=C7Nc8cc(O)ccc8[C@@]78CCN5[C@@H]68)cc14)[C@@H]32 ZINC000150596054 KK Annotated Clean COC(=O)N[C@H](C(=O)N1C[C@@H](SC)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@H](SC)CN5C(=O)[C@@H](NC(=O)OC)c5ccccc5)[nH]4)cc3)cc2)[nH]1)c1ccccc1 ZINC000150596230 KK Annotated Anodyne COC(=O)[C@@H](CCNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)NC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1 ZINC000150596231 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CCc1ccc([C@H](O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150596232 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CCc1ccc([C@@H](O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000150596234 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)C[C@@H](O)CCCCCCCCC)C[C@H]1C ZINC000150596240 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)C[C@H](O)CCCCCCCCC)C[C@H]1C ZINC000150596244 KK Annotated Mild C=CC(=C)[C@H](O)C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)C[C@@H](O)CCCCCCCCC)C[C@H]1C ZINC000150596251 KK Annotated Mild C=CC(=C)[C@H](O)C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)C[C@H](O)CCCCCCCCC)C[C@H]1C ZINC000150596254 KK Annotated Mild CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 ZINC000150596262 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2ccc(Br)cc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150596307 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2cccc(Br)c2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150596309 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2ccccc2Br)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150596313 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@H](N)CO)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000150596553 KK Annotated Anodyne CCCCCCCCCCO[C@@H](C)c1c(C)c2cc3[nH]c(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6nc(cc1n2)[C@H](C)[C@H]6CC)[nH]c45)[C@@H](CCC(=O)OCCC)[C@@H]3C ZINC000150596583 KK Annotated Mild CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccc(Br)cc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150596600 KK Annotated Anodyne CC(=O)O[C@@]1(C)CCCC2=C1[C@H](OCc1ccccc1)[C@]1(O)C[C@H](OC(=O)[C@H](O)[C@@H](NCc3ccccc3)c3ccccc3)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCO)C1(C)C ZINC000150596728 KK Annotated Anodyne COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)O[C@H]2C[C@H]3OC[C@@]3(OC(C)=O)[C@H]3[C@H](OCc4ccccc4)[C@]4(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]23C)C4(C)C)cc1 ZINC000150596740 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CCc1ccc2c(c1)C(=O)c1ccccc1C2=O)C[C@H]1OC[C@]13OC(C)=O ZINC000150596763 KK Annotated Clean O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OCc1ccccc1)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OCc1ccccc1 ZINC000150596787 KK Annotated Reactive CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N\[C@H]3C(=O)N(C(=O)CC(=O)Nc4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150596838 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150596842 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2cccc(Cl)c2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@@H]3C(=O)N(C(=O)CC(=O)Nc4cccc(Cl)c4)N=C3C)cc2)cc1 ZINC000150596849 KK Annotated Clean CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(-c6c(O)ccc7c8c([nH]c67)[C@]6(C(=O)OC)C[C@H]7C[C@@H](CC)[C@H]6N(CC8)C7)c(OC)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000150596859 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)[C@]6(C(=O)OC)C[C@H]7C[C@H](CC)[C@H]6N(CC8)C7)c(O)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000150596864 KK Annotated Anodyne COc1ccc(C(=O)c2cccc(/C=C/C(=O)O[C@H]3C[C@H]4OC[C@@]4(OC(C)=O)[C@H]4[C@H](OCc5ccccc5)[C@]5(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]34C)C5(C)C)c2)cc1 ZINC000150596979 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2c1OCO2 ZINC000150597049 KK Annotated Reactive O=C(NCCCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150597052 KK Annotated Mild O=C(NCCCCCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000150597055 KK Annotated Mild CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc(Br)c2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597057 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2Br)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597060 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2ccc(-c3cccnc3)cc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597061 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2cccc(-c3cccnc3)c2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597064 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(-c2ccccc2-c2cccnc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597066 KK Annotated Clean CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccc(-c3cccnc3)cc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597070 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc(-c3cccnc3)c2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597075 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2-c2cccnc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597077 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n([C@H](C(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)c1=O ZINC000150597081 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n([C@@H](C(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)c1=O ZINC000150597084 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597099 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCCc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597104 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(COCc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597112 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccc3ccccc3c2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597120 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597130 KK Annotated Anodyne CCCCCc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1CC(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000150597136 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597141 KK Annotated Anodyne Cc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1[C@H](C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000150597148 KK Annotated Anodyne Cc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1[C@@H](C(=O)Nc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000150597151 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(C)=O)C[C@H](CCNC(C)=O)OC(C)=O)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150597246 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)Cc3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000150597361 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)NC(=[N+]34)N2)O1 ZINC000150597414 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000150597415 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H](N[C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)Cc2ccccc2)C(=O)NCc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150597417 KK Annotated Mild O=C1N(Cc2cccc(-c3cc[nH]n3)c2)[C@H](Cc2ccc(OCc3cccnc3)cc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccc(OCc3cccnc3)cc2)N1Cc1cccc(-c2cc[nH]n2)c1 ZINC000150597427 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc2cc1OCO2 ZINC000150597473 KK Annotated Anodyne CCN(CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cc([125I])ccc3nc12 ZINC000150597624 KK Annotated Clean CC(=O)Oc1cc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1C(=O)O ZINC000150597668 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@@H]3C[C@@H]1CN(Cc1ccccc1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150597783 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@@H]3C[C@@H]1CN(Cc1ccccc1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150597785 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@@H]3C[C@@H]1CN(Cc1ccccc1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150597788 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1[C@@H]3C[C@@H]1CN(Cc1ccccc1)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150597790 KK Annotated Anodyne CCCCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150597984 KK Annotated Mild Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\Nc1c(C)n(C)n(-c3ccccc3)c1=O)/C(=C/Nc1c(C)n(C)n(-c3ccccc3)c1=O)C(=O)C(O)=C2C(C)C ZINC000150597996 KK Annotated Mild CCN1C[C@@H]2CC[C@@H](C1)N2C(=O)[C@@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000150598306 KK Annotated Anodyne CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000150598307 KK Annotated Anodyne CCN1C[C@H]2CC[C@H](C1)N2C(=O)[C@@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000150598310 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1C[C@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598326 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1C[C@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598329 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1C[C@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598331 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@H](C)O[C@H](C)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598333 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598398 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598400 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598404 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1CC(O)(c3ccccc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598406 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598410 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598412 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598415 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1CC(O)(c3ccc(F)cc3)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000150598417 KK Annotated Anodyne C=CC1=C(C)/C2=C/c3[nH]c(c(C)c3C=C)/C=c3\[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C\C3=N[C@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000150598849 KK Annotated Anodyne C=CC1=C(C)/C2=C/c3[nH]c(c(C)c3C=C)/C=c3\[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C\C3=N[C@@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000150598853 KK Annotated Anodyne CCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000150598860 KK Annotated Mild CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(C#Cc3ccc4oc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)nc4c3)ccc2o1)c1ccccc1 ZINC000150598867 KK Annotated Mild O=P(NCCCl)(NCCCl)Oc1ccc(-c2c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc2[nH]3)cc1 ZINC000150598900 KK Annotated Reactive CC(=O)OCOC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000150599032 KK Annotated Anodyne CCOP(=O)(Cc1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)OCC ZINC000150599038 KK Annotated Anodyne CCOC(=O)C(=O)Nc1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000150599044 KK Annotated Anodyne CCOC(=O)c1ccc(N(Cc2ccc(C3CCCCC3)cc2)C(=O)CN(C)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000150599048 KK Annotated Anodyne CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)OCOC(=O)C(C)(C)C)cc1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000150599054 KK Annotated Anodyne CN(CC(=O)N(Cc1ccc(C2CCCCC2)cc1)c1ccc(C(=O)O)c(F)c1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000150599066 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(NCCCl)(NCCCl)=N[P@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000150599114 KK Annotated Reactive N=C1NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599117 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599121 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599130 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3cccc(Br)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599138 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Br)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599141 KK Annotated Anodyne CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)C(Cc1ccccc1)Cc1ccccc1)C(C)(C)C)CC(=O)C(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C ZINC000150599145 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000150599146 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1nc3cc(-c4ccc5cc(-c6cnc([C@@H]7C[C@H]8C[C@H]8N7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]6)ccc5c4)ccc3c(=O)[nH]1)OCCCO2)C(C)C ZINC000150599191 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000150599440 KK Annotated Mild CCOC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1F ZINC000150599540 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](CC(C)C)C(=O)O)C(=O)C(O)=C3C(C)C)/C(=C/N[C@@H](CC(C)C)C(=O)O)C(=O)C(O)=C2C(C)C ZINC000150599548 KK Annotated Mild C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)c(C=C)c1 ZINC000150599551 KK Annotated Mild C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)c(C=C)c1 ZINC000150599555 KK Annotated Mild C=Cc1cc([C@H](N)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599565 KK Annotated Anodyne C=Cc1cc([C@@H](N)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599566 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)NC(C)(C)C)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599568 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)NC(C)(C)C)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599570 KK Annotated Anodyne C=Cc1cc([C@H](NC(C)=O)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599573 KK Annotated Anodyne C=Cc1cc([C@@H](NC(C)=O)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599577 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1)C(=O)Oc1c(OC)cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC ZINC000150599661 KK Annotated Anodyne CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)Cc4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c([C@@H](C)OCc1cccc([124I])c1)c4C)c(C)c3CCC(=O)OC ZINC000150599684 KK Annotated Bother COc1ccc2c(Oc3ccc([C@@H]4NC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5CC5)NC4=O)cc3)cc(-c3ccccc3)nc2c1 ZINC000150599738 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](Oc4nc(=O)ccn43)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150599758 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599764 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150599767 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150599779 KK Annotated Mild O=C(Nc1ccc(Cl)cc1Cl)[C@H]1C(=O)N(c2ccc(Cl)cc2Cl)C(=O)/C1=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000150599790 KK Annotated Mild NS(=O)(=O)c1ccc(-c2nc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN3CCOCC3)sc2Cl)cc1 ZINC000150599792 KK Annotated Anodyne CC[C@H](C)[C@]12Oc3cc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)ccc3O[N+]1([O-])C(OC(C)=O)=C([C@H](C)CC)N(OC(C)=O)C2=O ZINC000150599965 KK Annotated Mild CC[C@H](C)C1=C(OC(C)=O)[N+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1OC(C)=O ZINC000150599969 KK Annotated Mild C=Cc1cc([C@H](NC(=O)N2CCOCC2)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599973 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)N2CCOCC2)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599977 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)c2cccnc2)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599981 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)c2cccnc2)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599985 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)OC2CCCC2)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599989 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)OC2CCCC2)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599993 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)OC2CCCC2)C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150599998 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)OC2CCCC2)C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600001 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600012 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600017 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600021 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4[C@H](c5ccc(O)cc5)O[C@H](c5ccc(O)cc5)[C@H]4c4cc(O)cc(O)c4)c3[C@@H]2c2cc(O)c3c(c2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000150600037 KK Annotated Anodyne COC(=O)[C@H](N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@@H](C(=O)OC)c3ccccc3)C(=O)C(O)=C4C(C)C)c(O)c21)c1ccccc1 ZINC000150600041 KK Annotated Mild COC(=O)[C@@H](N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@@H](C(=O)OC)c3ccccc3)C(=O)C(O)=C4C(C)C)c(O)c21)c1ccccc1 ZINC000150600044 KK Annotated Mild COC(=O)[C@@H](N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@H](C(=O)OC)c3ccccc3)C(=O)C(O)=C4C(C)C)c(O)c21)c1ccccc1 ZINC000150600047 KK Annotated Mild COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)[C@H](Cc1ccccc1)NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1 ZINC000150600055 KK Annotated Anodyne Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C)cc3)[C@@H]3C=C[C@@H](N3)/C(c3ccc(C)cc3)=C3/C=CC2=N3)cc1 ZINC000150600183 KK Annotated Anodyne Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C)cc3)=C3/C=CC2=N3)cc1 ZINC000150600187 KK Annotated Anodyne CC(C)(N[P@@](=O)(Oc1ccccc1)O[C@H]1C[C@H](n2cccnc2=O)O[C@@H]1CO[P@](=O)(NC(C)(C)C(=O)OCc1ccccc1)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150600198 KK Annotated Anodyne c1ccc(Nc2nc(NCCCCOc3nc(Nc4ccccc4)nc(N4CCCc5ccccc54)n3)nc(N3CCCc4ccccc43)n2)cc1 ZINC000150600199 KK Annotated Anodyne CC(C)(N[P@](=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1O[P@@](=O)(NC(C)(C)C(=O)OCc1ccccc1)Oc1ccccc1)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150600203 KK Annotated Anodyne c1ccc(Nc2nc(NCCCCOc3nc(Nc4ccccc4)nc(N4CCc5ccccc5C4)n3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000150600206 KK Annotated Anodyne CC(C)(N[P@@](=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1O[P@](=O)(NC(C)(C)C(=O)OCc1ccccc1)Oc1ccccc1)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150600208 KK Annotated Anodyne CC(C)(N[P@](=O)(OC[C@H]1O[C@@H](n2cccnc2=O)C[C@@H]1O[P@](=O)(NC(C)(C)C(=O)OCc1ccccc1)Oc1ccccc1)Oc1ccccc1)C(=O)OCc1ccccc1 ZINC000150600212 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@@]2(NCCNc3cccc4c3C(=O)c3ccccc3C4=O)=N[P@@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000150600228 KK Annotated Clean Oc1ccc([C@@H]2[C@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150600229 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@@]2(NCCNc3cccc4c3C(=O)c3ccccc3C4=O)=N[P@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000150600234 KK Annotated Clean Oc1ccc([C@@H]2[C@@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000150600236 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@]2(NCCNc3cccc4c3C(=O)c3ccccc3C4=O)=N[P@@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000150600240 KK Annotated Clean O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@]2(NCCNc3cccc4c3C(=O)c3ccccc3C4=O)=N[P@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000150600246 KK Annotated Clean Oc1ccc([C@@H]2c3cc(O)ccc3[C@@H]3c4c(O)cc(O)cc4[C@@H]2c2c(O)cc(O)c4c2[C@@H]3[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000150600252 KK Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000150600305 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000150600310 KK Annotated Mild CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OCC[N+](C)(C)C ZINC000150600372 KK Annotated Bother CC[C@H]1c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)OCC[N+](C)(C)C)c(C(=O)NCCS(=O)(=O)O)c3C ZINC000150600380 KK Annotated Bother CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000150600387 KK Annotated Bother CC[C@H]1c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)OC)c(C(=O)NCCS(=O)(=O)O)c3C ZINC000150600394 KK Annotated Bother CC[C@H]1c2cc3[nH]c(c(CC(=O)OC)c4nc(cc5[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c5C)[C@@H](C)[C@@H]4CCC(=O)O)c(C(=O)NCCS(=O)(=O)O)c3C ZINC000150600411 KK Annotated Bother CCCCCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccc(OC)cc2)[C@]2(O)C[C@H](OC(=O)/C=C/c3ccc4ccccc4c3)C(C)=C1C2(C)C ZINC000150600420 KK Annotated Anodyne Nc1cc2c(=O)c(C(=O)OCc3ccc(Cl)cc3)cn(Cc3ccc(Cl)cc3)c2cc1N1CCN(c2nc3ccccc3s2)CC1 ZINC000150600666 KK Annotated Anodyne Nc1cc2c(=O)c(C(=O)OCc3ccc(Cl)cc3)cn(Cc3ccc(Cl)cc3)c2cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000150600669 KK Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)N(Cc1cc(Br)ccc1O)[C@H](c1cc(Br)ccc1O)N2Cc1cc(Br)ccc1O ZINC000150600730 KK Annotated Clean O=[N+]([O-])c1ccc2c(c1)N(Cc1cc(Br)ccc1O)[C@@H](c1cc(Br)ccc1O)N2Cc1cc(Br)ccc1O ZINC000150600733 KK Annotated Clean Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@@H](C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(C(=O)N3CCC3=O)cc2)nn1)c1ccccc1 ZINC000150600856 KK Annotated Anodyne Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(C(=O)N3CCC3=O)cc2)nn1)c1ccccc1 ZINC000150600857 KK Annotated Anodyne Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@H](C1)N2CC[C@H](NC(=O)CCCCCCCCCCn1cc(COCCOCCOCCOCCOCc2ccc(C(=O)N3CCC3=O)cc2)nn1)c1ccccc1 ZINC000150600858 KK Annotated Anodyne Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(Cl)cc2)C[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000150600878 KK Annotated Mild Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000150600884 KK Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@H]3C[C@H]4C(=O)NCC(=O)N4[C@H]3c3ccc(O)cc3)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000150600936 KK Annotated Mild CC(C)(C)OC(=O)N1CC[N+](C(=O)OC(C)(C)C)=C1Nc1ccc(Nc2ccc(NC3=[N+](C(=O)OC(C)(C)C)CCN3C(=O)OC(C)(C)C)cc2)cc1 ZINC000150600942 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600949 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600954 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600960 KK Annotated Anodyne CN1C(=O)[C@@H](c2cc(Cl)c(O)c(Cl)c2)NC(=O)[C@@H]2NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](N)Cc3c[nH]c4c(cccc34)-c3cc2cc(c3O)Oc2ccc(cc2)C[C@H]1C(=O)O ZINC000150600965 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600967 KK Annotated Anodyne C=Cc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600973 KK Annotated Anodyne C=Cc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600978 KK Annotated Anodyne C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)c(C=C)c1 ZINC000150600984 KK Annotated Mild C=Cc1cc([C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1Oc1cc(OC)nc(-c2ccccc2)n1 ZINC000150600998 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000150601071 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150601087 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601102 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(OCCO)cc2)cc1 ZINC000150601189 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCNC(N)=O)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601214 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000150601220 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCCO)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601224 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000150601229 KK Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000150601232 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000150601242 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150601251 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCCO)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601257 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000150601265 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)N1CCCCCCC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150601275 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000150601283 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601291 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601329 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000150601338 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601346 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000150601358 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC ZINC000150601379 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(OCCO)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC ZINC000150601383 KK Annotated Mild CCc1cccnc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncccc3CC)cc2)cc1 ZINC000150601389 KK Annotated Anodyne C=Cc1cccnc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncccc3C=C)cc2)cc1 ZINC000150601396 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601399 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000150601404 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000150601426 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150601433 KK Annotated Mild COc1ccc2[nH]c3c(C(=O)NCC(=O)O)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(C(=O)NCC(=O)O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000150601447 KK Annotated Bother COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601528 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601558 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601567 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150601572 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000150601575 KK Annotated Mild CCc1c(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C1=CCC(C#N)(C#N)C(C#N)(C#N)[C@@]15CC)c(CC)c4CC)C(=O)C3(CC)CC ZINC000150601578 KK Annotated Clean CC[C@@H]1N=C(C)/C(=C(/O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000150601600 KK Annotated Bother CC[C@H]1N=C(C)/C(=C(/O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000150601604 KK Annotated Bother CC[C@@H]1N=C(C)/C(=C(/O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000150601608 KK Annotated Bother COC(=O)N[C@H](C(=O)N1CC2(CCOCC2)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC6(CCOCC6)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000150601609 KK Annotated Anodyne CC[C@H]1N=C(C)/C(=C(/O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1 ZINC000150601613 KK Annotated Bother COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000150601630 KK Annotated Anodyne Cc1ccc(S(=O)(=O)c2c(-c3ccc(Cl)cc3)noc2-c2ccc(-c3onc(-c4ccc(Cl)cc4)c3S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150601687 KK Annotated Anodyne Oc1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1CO[C@@H](c1ccccc1)[C@H](c1ccccc1)OCc1cccc(n1)CO[C@@H](c1ccccc1)[C@H](c1ccccc1)OC2 ZINC000150601702 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000150601734 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601737 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccccc3OCCO)[C@]13C(=O)Nc1ccc(C#CC4=CCCCC4)cc13)CC2 ZINC000150601755 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(OCCO)cc3)[C@]13C(=O)Nc1ccc(C#CC4=CCCCC4)cc13)CC2 ZINC000150601761 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000150601765 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000150601769 KK Annotated Mild COC(=O)[C@H](/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@@H](C(=O)OC)c5c[nH]c6ccccc56)c4c3O)c(O)c12)c1c[nH]c2ccccc12 ZINC000150601771 KK Annotated Mild COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(Cl)c(OC)c2)c1 ZINC000150601774 KK Annotated Anodyne COC(=O)[C@@H](/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@@H](C(=O)OC)c5c[nH]c6ccccc56)c4c3O)c(O)c12)c1c[nH]c2ccccc12 ZINC000150601775 KK Annotated Mild COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(F)c(OC)c2)c1 ZINC000150601777 KK Annotated Anodyne COC(=O)[C@@H](/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@H](C(=O)OC)c5c[nH]c6ccccc56)c4c3O)c(O)c12)c1c[nH]c2ccccc12 ZINC000150601780 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(OCCO)cc3)[C@@]13C(=O)Nc1ccc(C#CC4=CCCCC4)cc13)CC2 ZINC000150601796 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000150601825 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000150601836 KK Annotated Mild COC(=O)Nc1ccc(S(=O)(=O)C(C)C)c([C@H]2CCCN2C(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc(OC)c(OC)c2)c1 ZINC000150601846 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000150601857 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCCO)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601860 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)Nc3nc4ccccc4s3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000150601867 KK Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@@H]3C[C@@H]4C(=O)NCC(=O)N4[C@@H]3c3ccc(O)cc3)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000150601892 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000150601902 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601905 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150601913 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150601929 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccccc3OCCO)[C@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2 ZINC000150601942 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC ZINC000150601968 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2 ZINC000150601983 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(OCCO)cc3)[C@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2 ZINC000150601985 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000150601995 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(O)cc2)cc1 ZINC000150602049 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(O)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000150602056 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000150602069 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000150602074 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCCCCCC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO)C(=O)OC ZINC000150602078 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000150602083 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCCCCCC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(OCCO)cc1)C(=O)OC ZINC000150602097 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(OCCO)cc2)cc1 ZINC000150602101 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12 ZINC000150602110 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(O)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC ZINC000150602116 KK Annotated Mild CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2COC(=O)c1ccc(-c2c3ccc(n3)c(-c3ccncc3)c3ccc([nH]3)c(-c3ccncc3)c3ccc(n3)c(-c3ccncc3)c3ccc2[nH]3)cc1 ZINC000150602121 KK Annotated Bother COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(O)cc3)[C@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2 ZINC000150602130 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(O)cc1)C(=O)OC ZINC000150602136 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000150602141 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000150602207 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000150602217 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000150602241 KK Annotated Mild C[C@@H](S[C@@H]1CO[C@@H](c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000150602289 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O ZINC000150602332 KK Annotated Anodyne COC(=O)N[C@@H](C)C(=O)N1[C@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)cc3)[nH]2)CCC12CCC(F)(F)CC2 ZINC000150602407 KK Annotated Anodyne COC(=O)N[C@@H](C)C(=O)N1[C@@H](c2ncc(-c3ccc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)cc3)[nH]2)CCC12CCC(F)(F)CC2 ZINC000150602409 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150602410 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000150602434 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCC6(CCOCC6)N5C(C)=O)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000150602456 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H]5CCC6(CCOCC6)N5C(C)=O)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000150602460 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2C(C)=C(OC(=O)OC(C)(C)C)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCOC(=O)OC(C)(C)C ZINC000150602536 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000150602584 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccc(C#CC4=CCCCC4)cc13)CC2 ZINC000150602597 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)Nc1nc2ccccc2s1)C(=O)OC ZINC000150602627 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCCO)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000150602633 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](C(=O)Nc1nc3ccccc3s1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150602646 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)Nc2nc3ccccc3s2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO)C(=O)OC ZINC000150602660 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)Nc1nc3ccccc3s1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000150602665 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)Nc1nc2ccccc2s1 ZINC000150602671 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCCCCCC1 ZINC000150602679 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)Nc1nc3ccccc3s1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000150602693 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000150602701 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)Nc3nc4ccccc4s3)[C@H]12 ZINC000150602713 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](C(=O)N1CCN(c3ncccn3)CC1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150602722 KK Annotated Mild C=CCOC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCOC(=O)[C@@H]3C[C@@H]4C(=O)NCC(=O)N4[C@@H]3c3ccc(O)cc3)cc2)[C@]12C(=O)Nc1ccc(I)cc12 ZINC000150602764 KK Annotated Mild COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150602807 KK Annotated Anodyne CO[C@@H]1CCN(Cc2ccc(CN3CC[C@@H](OC)OC[C@@H](c4ccccc4)NC(=O)C[C@@H](OC)OC[C@H]3c3ccccc3)cc2)[C@H](c2ccccc2)CO[C@H](OC)CC(=O)N[C@H](c2ccccc2)CO1 ZINC000150602811 KK Annotated Anodyne C=CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCOC(=O)[C@@H]3C[C@@H]4C(=O)NCC(=O)N4[C@@H]3c3ccc(O)cc3)cc2)[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000150602834 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000150602858 KK Annotated Mild CC[C@H]1c2cc3nc4c(c5[nH]c(cc6[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)c(=O)n(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(=O)c4c3C ZINC000150602876 KK Annotated Bother COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(OCCO)cc3)[C@@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2 ZINC000150602882 KK Annotated Mild COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)[C@H](CC(C)C)NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1 ZINC000150602901 KK Annotated Anodyne COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(OCCO)cc1)C(=O)OC ZINC000150602905 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000150602909 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCc4cc(OC)c(OC)cc4C3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(OCCO)cc2)cc1 ZINC000150602919 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCc3cc(OC)c(OC)cc3C2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO)C(=O)OC ZINC000150602929 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000150602931 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000150602937 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCC(C(=O)OC)C(=O)OC)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000150602947 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCN(c2ncccn2)CC1 ZINC000150602954 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(O)cc3)[C@@]13C(=O)Nc1ccc(C#CC4(O)CCCCCC4)cc13)CC2 ZINC000150602965 KK Annotated Mild CNS(=O)(=O)c1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1OC ZINC000150603038 KK Annotated Anodyne COc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1NS(C)(=O)=O ZINC000150603049 KK Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2)=NN1CCCN1N=C(C(=O)c2ccccc2)CC1(P(=O)(OCC)OCC)P(=O)(OCC)OCC ZINC000150603052 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1OCc1ccccc1 ZINC000150603054 KK Annotated Anodyne Cc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1NS(C)(=O)=O ZINC000150603058 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1CO ZINC000150603062 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000150603067 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c(OCC2CC2)c1 ZINC000150603070 KK Annotated Anodyne O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc([N+](=O)[O-])c(OCC2CC2)c1 ZINC000150603073 KK Annotated Bother O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc(NS(=O)(=O)C2CC2)c(OCC2CC2)c1 ZINC000150603087 KK Annotated Anodyne CS(=O)(=O)Nc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1OCc1ccccc1 ZINC000150603099 KK Annotated Anodyne Cc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1NS(C)(=O)=O ZINC000150603108 KK Annotated Anodyne CS(=O)(=O)Nc1cc(OCC2CC2)cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1 ZINC000150603115 KK Annotated Anodyne COc1ccc(NS(C)(=O)=O)cc1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000150603119 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(OCC2CC2)c(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1 ZINC000150603122 KK Annotated Anodyne COc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c(NS(C)(=O)=O)c1 ZINC000150603126 KK Annotated Anodyne COc1ccc(NS(C)(=O)=O)c(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1 ZINC000150603131 KK Annotated Anodyne COc1cccc(NS(C)(=O)=O)c1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000150603134 KK Annotated Anodyne COc1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1NS(C)(=O)=O ZINC000150603142 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1 ZINC000150603145 KK Annotated Anodyne CN1C[C@@H](c2ccccc2Cl)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccccc3Cl)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603154 KK Annotated Mild CN1C[C@@H](c2ccccc2F)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccccc3F)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603162 KK Annotated Mild CN1C[C@@H](c2ccc(Cl)cc2Cl)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccc(Cl)cc3Cl)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603179 KK Annotated Mild Cc1ccc(/C=C2\CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C[C@]3(C2=O)[C@H](c2ccc(C)cc2)CN(C)[C@]32C(=O)Nc3ccccc32)cc1 ZINC000150603187 KK Annotated Mild CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccc(Cl)cc3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603194 KK Annotated Mild CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3ccc(F)cc3)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603199 KK Annotated Mild CN1C[C@@H](c2cccc3ccccc23)[C@@]2(CN(C(=O)[C@@H]3CCN(C)[C@]34C(=O)Nc3ccccc34)C/C(=C\c3cccc4ccccc34)C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000150603203 KK Annotated Mild COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150603214 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1Cl)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000150603223 KK Annotated Mild Nc1nn(Cc2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000150603269 KK Annotated Mild Nc1nn(Cc2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000150603272 KK Annotated Mild Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc(C(F)(F)F)c(Br)s2)c2ccc(Cl)cn2)c1 ZINC000150603316 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OCCCNC1CC(F)(F)C1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150603345 KK Annotated Mild CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@]2(C)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000150603355 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2c(c6C)c1=O)[C@H](CC)[C@H]5C)c([C@@H](C)OCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OCCC ZINC000150603362 KK Annotated Bother COCCOC(C/N=C/C1=C(O)[C@@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CC(OCCOC)OCCOC)c4c3O)=C(O)[C@H]21)OCCOC ZINC000150603376 KK Annotated Mild COCCOC(C/N=C/C1=C(O)[C@@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CC(OCCOC)OCCOC)c4c3O)=C(O)[C@@H]21)OCCOC ZINC000150603378 KK Annotated Mild COCCOC(C/N=C/C1=C(O)[C@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CC(OCCOC)OCCOC)c4c3O)=C(O)[C@H]21)OCCOC ZINC000150603382 KK Annotated Mild COCCOC(C/N=C/C1=C(O)[C@H](O)C(C(C)C)=C2C=C(C)C(c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CC(OCCOC)OCCOC)c4c3O)=C(O)[C@@H]21)OCCOC ZINC000150603387 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@H]1c2cc(Cl)ccc2OC[C@H]1O)C(C)(C)C ZINC000150603706 KK Annotated Anodyne CC1=CC2=C(C(C)C)[C@H](O)C(=O)/C(=C\NCCCN3CCCC3=O)[C@@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCCC1=O)C(=O)C(O)=C2C(C)C ZINC000150603829 KK Annotated Mild CC1=CC2=C(C(C)C)[C@H](O)C(=O)/C(=C\NCCCN3CCCC3=O)[C@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCCC1=O)C(=O)C(O)=C2C(C)C ZINC000150603834 KK Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(=O)/C(=C\NCCCN3CCCC3=O)[C@@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCCC1=O)C(=O)C(O)=C2C(C)C ZINC000150603837 KK Annotated Mild COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150603841 KK Annotated Mild CC1=CC2=C(C(C)C)[C@@H](O)C(=O)/C(=C\NCCCN3CCCC3=O)[C@H]2C(O)=C1c1c(C)cc2c(c1O)/C(=C/NCCCN1CCCC1=O)C(=O)C(O)=C2C(C)C ZINC000150603842 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(Oc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1 ZINC000150604053 KK Annotated Reactive COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150604104 KK Annotated Anodyne Cc1ccccc1/C=C1\CN(C(=O)[C@@H]2CCN(C)[C@]23C(=O)Nc2ccccc23)C[C@]2(C1=O)[C@H](c1ccccc1C)CN(C)[C@]21C(=O)Nc2ccccc21 ZINC000150604190 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000150604316 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCN(C(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000150604320 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCN(C(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000150604324 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCCN(C(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000150604328 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000150604329 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1ccc(cc1)-c1cccc(c1C(=O)O)-c1ccc(cc1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O ZINC000150604384 KK Annotated Anodyne CCCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@H](O)C(=O)/C4=C\NCCOCCOCCCC)C=C3C)c(O)c21 ZINC000150604434 KK Annotated Mild CCCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@H](O)C(=O)/C4=C\NCCOCCOCCCC)C=C3C)c(O)c21 ZINC000150604436 KK Annotated Mild CCCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@@H]4C(=C(C(C)C)[C@@H](O)C(=O)/C4=C\NCCOCCOCCCC)C=C3C)c(O)c21 ZINC000150604438 KK Annotated Mild CCCCOCCOCCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(C3=C(O)[C@H]4C(=C(C(C)C)[C@@H](O)C(=O)/C4=C\NCCOCCOCCCC)C=C3C)c(O)c21 ZINC000150604441 KK Annotated Mild NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150604513 KK Annotated Anodyne CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N\[C@H]3C(=O)N(C(=O)CC(=O)Nc4cccc(C)c4)N=C3C)cc2)cc1 ZINC000150604705 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4cccc(C)c4)N=C3C)cc2)cc1 ZINC000150604707 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2cccc(C)c2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@@H]3C(=O)N(C(=O)CC(=O)Nc4cccc(C)c4)N=C3C)cc2)cc1 ZINC000150604708 KK Annotated Clean C=CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)Cc1nccs1)C(C)C)C(C)C)C(C)C ZINC000150604938 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(/C=C/c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)ccc2[nH]1)C(C)C ZINC000150605003 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2cc3sc(-c4ccc(-c5cc6[nH]c([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6s5)cc4)cc3s2)[nH]1)C(C)C ZINC000150605006 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2csc3ccc(-c4ccc(-c5cc6[nH]c([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6s5)cc4)cc23)[nH]1)C(C)C ZINC000150605009 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)s2)[nH]1)C(C)C ZINC000150605013 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(C#Cc2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)cc2)[nH]1)C(C)C ZINC000150605015 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(C#Cc2ccc(-c3cc4[nH]c([C@@H]5C[C@H](C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4s3)cc2)[nH]1)C(C)C ZINC000150605019 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)c(F)c2)[nH]1)C(C)C ZINC000150605027 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)cc2F)[nH]1)C(C)C ZINC000150605033 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)c(C)c2)[nH]1)C(C)C ZINC000150605040 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)cc2C)[nH]1)C(C)C ZINC000150605042 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)cc2)[nH]1)C(C)C ZINC000150605046 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2cccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)c2)[nH]1)C(C)C ZINC000150605051 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)ccc2[nH]1)C(C)C ZINC000150605056 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(-c3ccc(-c4ccc(-c5cc6[nH]c([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6s5)cc4)cc3)ccc2[nH]1)C(C)C ZINC000150605060 KK Annotated Anodyne O=S(=O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(F)cc3)c3ccc(s3)c(-c3ccc(F)cc3)c3ccc(n3)c(-c3ccc(S(=O)(=O)O)cc3)c3ccc2s3)cc1 ZINC000150605211 KK Annotated Bother COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(C#Cc3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)ccc2[nH]1)C(C)C ZINC000150605288 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(C(=O)OC(C)(C)C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605330 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CC)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605345 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CC3CC3)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605350 KK Annotated Mild COc1c(Cc2cc(Cc3cc(Cc4cc(Cc5ccccc5O)ccc4O)ccc3O)ccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000150605351 KK Annotated Anodyne COc1c(Cc2ccccc2O)c(O)c(Cc2cc(Cc3cccc(Cc4cc(Cc5ccccc5O)ccc4O)c3O)ccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000150605355 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CCOC)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605357 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CCOC(F)(F)F)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605360 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CC(F)(F)F)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605366 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(CCF)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605369 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCOCC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605373 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OCCCNC1CCC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605387 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OCCCN1CC(F)C1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605389 KK Annotated Mild CC1(C)OC2=C(C(=O)C3=C(C2=O)[C@H]2c4cc(Br)cc(Br)c4CO[C@H]2C(C)(C)O3)[C@@H]2c3cc(Br)cc(Br)c3OC[C@@H]21 ZINC000150605391 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OCCCN1CC(F)(F)C1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605392 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1OC1CCN(C)CC1)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000150605399 KK Annotated Mild C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@@H]3CN(S(=O)(=O)C(F)(F)F)c4ccc(Cc5ccc6c(c5)[C@H](CCN5C[C@@H]7[C@H](C)OC(=O)C[C@H]7CC5=O)CN6S(=O)(=O)C(F)(F)F)cc43)C[C@H]12 ZINC000150605402 KK Annotated Anodyne C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@@H]3CN(S(=O)(=O)C(F)(F)F)c4ccc(Cc5ccc6c(c5)[C@@H](CCN5C[C@@H]7[C@H](C)OC(=O)C[C@H]7CC5=O)CN6S(=O)(=O)C(F)(F)F)cc43)C[C@H]12 ZINC000150605406 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c12 ZINC000150605538 KK Annotated Reactive COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c12 ZINC000150605543 KK Annotated Reactive COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c12 ZINC000150605547 KK Annotated Reactive COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1-c1nnc(-c2c(OC)cc(OC)c3c(-c4ccccc4)c(-c4ccccc4)[nH]c23)o1 ZINC000150605550 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Cl)cc3)c[nH]c2c1-c1nnc(-c2c(OC)cc(OC)c3c(-c4ccc(Cl)cc4)c[nH]c23)o1 ZINC000150605554 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1-c1nnc(-c2c(OC)cc(OC)c3c(-c4ccc(Br)cc4)c[nH]c23)o1 ZINC000150605559 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1C(=O)NNC(=O)C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c12 ZINC000150605564 KK Annotated Reactive COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1-c1nnc(-c2nnc(-c3c(OC)cc(OC)c4c(-c5ccccc5)c(-c5ccccc5)[nH]c34)o2)o1 ZINC000150605572 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1C(=O)C(=O)NNC(=O)C(=O)c1c(OC)cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c12 ZINC000150605576 KK Annotated Reactive Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](Cc2ccc3c(c2)CO[P@](=O)(O)O3)NC(=O)OCC2c3ccccc3-c3ccccc32)C(N)=O)c(C)c2c1OC(C)(C)C2 ZINC000150605637 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(COC(=O)CNC(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000150605673 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC1CC(C)(C)N([O])C(C)(C)C1 ZINC000150605704 KK Annotated Anodyne 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](OC(=O)NS(=O)(=O)c3ccc(C)cc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150605768 KK Annotated Anodyne O=C1[C@]2(CC[C@@]13[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000150605782 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCCS(=O)(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150605788 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCCCS(=O)(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150605798 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5CCCCCCCCS(=O)(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000150605802 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(C=C4CO[C@H]3OC[C@H](Cc4ccc5c(c4)OCO5)[C@H]3Cc3ccc4c(c3)OCO4)CC[C@H]12 ZINC000150605834 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@]3(C=C4CO[C@@H]3OC[C@H](Cc4ccc5c(c4)OCO5)[C@H]3Cc3ccc4c(c3)OCO4)CC[C@H]12 ZINC000150605837 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000150605937 KK Annotated Anodyne 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](OC(=O)c3ccc([N+](=O)[O-])cc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606138 KK Annotated Bother 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](OC(=O)c3ccc(C(F)(F)F)cc3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606139 KK Annotated Anodyne 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](OC(=O)c3ccc(Cl)c(Cl)c3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606140 KK Annotated Anodyne 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](OC(=O)c3cccc([N+](=O)[O-])c3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606141 KK Annotated Bother 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](OC(=O)c3cccc(C(F)(F)F)c3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606143 KK Annotated Anodyne 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](OC(=O)c3ccccc3[N+](=O)[O-])C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606146 KK Annotated Bother 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](OC(=O)c3ccccc3C(F)(F)F)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606150 KK Annotated Anodyne 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](OC(=O)c3ccc(C(F)(F)F)cc3F)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606152 KK Annotated Anodyne 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](OC(=O)c3ccc(C(F)(F)F)c(F)c3)C(C)(C)O[C@H]2CC[C@@]1(C)O ZINC000150606155 KK Annotated Anodyne COC(=O)c1c(Br)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(OC)c1-c1c(OC)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(Br)c1C(=O)OC ZINC000150606158 KK Annotated Anodyne CN1CCN(c2c(F)cccc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606242 KK Annotated Anodyne CN1CCN(c2c(F)cccc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606244 KK Annotated Anodyne CN1CCN(c2c(F)cccc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606245 KK Annotated Anodyne CN1CCN(c2c(F)cccc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606248 KK Annotated Anodyne CN1CCN(c2ccc(F)cc2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606261 KK Annotated Anodyne CN1CCN(c2ccc(F)cc2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606264 KK Annotated Anodyne CN1CCN(c2ccc(F)cc2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606266 KK Annotated Anodyne CN1CCN(c2ccc(F)cc2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606270 KK Annotated Anodyne CN1CCN(c2cccc(F)c2[C@@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606273 KK Annotated Anodyne CN1CCN(c2cccc(F)c2[C@H]2S[C@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606276 KK Annotated Anodyne CN1CCN(c2cccc(F)c2[C@@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606279 KK Annotated Anodyne CN1CCN(c2cccc(F)c2[C@H]2S[C@@H](CC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)C(=O)N2CCC(C)(C)C)CC1 ZINC000150606281 KK Annotated Anodyne Cc1cc(Br)ccc1/N=C(\OCCN1C(=O)c2ccccc2C1=O)SS/C(=N/c1ccc(Br)cc1C)OCCN1C(=O)c2ccccc2C1=O ZINC000150606321 KK Annotated Reactive CN(C(=O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1)[C@@H](Cc1ccc(Oc2cc3cc(c2O)-c2cccc4c(c[nH]c24)C[C@@H](N)C(=O)N[C@H](c2cc(Cl)c(O)c(Cl)c2)C(=O)N[C@H]3C(=O)O)cc1)C(=O)O ZINC000150606327 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150606329 KK Annotated Anodyne C[C@@H](NC(=O)c1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000150606364 KK Annotated Reactive C[C@@H](S[C@@H]1CO[C@@H](c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000150606399 KK Annotated Mild CCCOc1ccc(-c2cc([C@@H](C(=O)OCCOCCO)n3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000150606408 KK Annotated Anodyne CCCOc1ccc(-c2cc([C@H](C(=O)OCCOCCO)n3cc4nc(-c5cccc(F)c5F)nc-4cn3)on2)c(C(F)(F)F)c1 ZINC000150606410 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(Br)ccc54)[C@H](C)C3)c(C(F)(F)F)c21 ZINC000150606419 KK Annotated Mild CO[C@@H](c1ccc(O)cc1)[C@@]1(OC)C(=O)/C(=C2/C(=O)[C@@](OC)([C@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000150606758 KK Annotated Mild CO[C@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)[C@](OC)([C@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000150606759 KK Annotated Mild CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)[C@@](OC)([C@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000150606762 KK Annotated Mild CO[C@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)[C@@](OC)([C@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000150606764 KK Annotated Mild COC(=O)[C@H](C)N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@@H](C)C(=O)OC)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000150606792 KK Annotated Mild CCOC(=O)CN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/NCC(=O)OCC)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000150606796 KK Annotated Mild COC(=O)[C@H](CC(C)C)N/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/N[C@@H](CC(C)C)C(=O)OC)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000150606799 KK Annotated Mild COc1cccc2c(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(C#Cc4ccc(NC(=O)[C@@H]5CCCN5C(=O)c5nc(Cl)cc6c(OC)cccc56)cc4)cc3)nc(Cl)cc12 ZINC000150606861 KK Annotated Mild COc1cccc2c(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(-c4cc(-c5ccc(NC(=O)[C@@H]6CCCN6C(=O)c6nc(Cl)cc7c(OC)cccc67)cc5)[nH]n4)cc3)nc(Cl)cc12 ZINC000150606864 KK Annotated Anodyne COc1cccc2c(C(=O)N3CCC[C@H]3C(=O)Nc3ccc(-c4cnc(-c5ccc(NC(=O)[C@@H]6CCCN6C(=O)c6nc(Cl)cc7c(OC)cccc67)cc5)o4)cc3)nc(Cl)cc12 ZINC000150606867 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncnc4ccccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1ncnc2ccccc12 ZINC000150606880 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3nncc4ccccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nncc2ccccc12 ZINC000150606885 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3nc(Cl)cc4ccccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nc(Cl)cc2ccccc12 ZINC000150606890 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncc(Cl)c4ccccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1ncc(Cl)c2ccccc12 ZINC000150606893 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3nccc4c(Cl)cccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nccc2c(Cl)cccc12 ZINC000150606896 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3nccc4cc(Cl)ccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nccc2cc(Cl)ccc12 ZINC000150606898 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3nccc4ccc(Cl)cc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nccc2ccc(Cl)cc12 ZINC000150606900 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncc(F)c4ccccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nccc2c(F)cccc12 ZINC000150606905 KK Annotated Anodyne COc1cc2ccccc2c(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4nc(OC)cc5ccccc45)cc3)cc2)n1 ZINC000150606919 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cc(Cl)cc4ccccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc2ccccc12 ZINC000150606930 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3nc(Cl)cc4c(F)cccc34)cc2)cc1)[C@@H]1CCCN1C(=O)c1nc(Cl)cc2c(F)cccc12 ZINC000150606935 KK Annotated Anodyne CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3C(C(=O)OCCCCCCCCOC(=O)C4=C(C)NC5=[N+]6[C@H]4CC[C@@H]6C[C@H](CCCCCCCCC)N5)=C(C)NC(=[N+]32)N1 ZINC000150606938 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCCC(=O)CCCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000150607016 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCCC(=O)CCCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000150607018 KK Annotated Mild O=C1N/C=C/c2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O ZINC000150607038 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCCCCC)OC(C)=O ZINC000150607145 KK Annotated Mild COc1ccc(-c2noc(-c3ccc(-c4onc(-c5ccc(OC)cc5)c4S(=O)(=O)c4ccc(Cl)cc4)cc3)c2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607204 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000150607235 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@H]1c1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)C(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000150607239 KK Annotated Anodyne COc1cc(/C=C/OC(=O)[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000150607243 KK Annotated Bother O=S(=O)(c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)C(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1 ZINC000150607248 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccc(Cl)cc3)=NN(c3ccccc3)[C@@H]2c2ccc([C@H]3[C@@H](S(=O)(=O)c4ccc(C)cc4)C(c4ccc(Cl)cc4)=NN3c3ccccc3)cc2)cc1 ZINC000150607271 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccc(Cl)cc3)=NN(c3ccccc3)[C@H]2c2ccc([C@@H]3[C@H](S(=O)(=O)c4ccc(C)cc4)C(c4ccc(Cl)cc4)=NN3c3ccccc3)cc2)cc1 ZINC000150607275 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccc(Cl)cc3)=NN(c3ccccc3)[C@@H]2c2ccc([C@@H]3[C@@H](S(=O)(=O)c4ccc(C)cc4)C(c4ccc(Cl)cc4)=NN3c3ccccc3)cc2)cc1 ZINC000150607278 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccc(Cl)cc3)=NN(c3ccccc3)[C@@H]2c2ccc([C@@H]3[C@H](S(=O)(=O)c4ccc(C)cc4)C(c4ccc(Cl)cc4)=NN3c3ccccc3)cc2)cc1 ZINC000150607284 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccccc4)cc3)[C@@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000150607313 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccccc4)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000150607318 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000150607319 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000150607320 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000150607321 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000150607322 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccc(C)cc4)cc3)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150607323 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccc(C)cc4)cc3)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150607324 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc([C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150607329 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc([C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150607331 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc([C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150607333 KK Annotated Anodyne Cc1ccc(S(=O)(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc([C@H]3ON=C(c4ccc(Cl)cc4)[C@H]3S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000150607336 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccc(Cl)cc4)cc3)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607340 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccc(Cl)cc4)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607343 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607348 KK Annotated Anodyne c1cc2cc(c1)C[n+]1cn(c3ccccc31)Cc1cc3ccccc3nc1Oc1ccc3ccccc3c1-c1c(ccc3ccccc13)Oc1nc3ccccc3cc1Cn1c[n+](c3ccccc31)C2 ZINC000150607353 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607354 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607358 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000150607363 KK Annotated Anodyne O=S(=O)(c1ccccc1)c1c(-c2ccc(Cl)cc2)noc1-c1ccc(-c2onc(-c3ccc(Cl)cc3)c2S(=O)(=O)c2ccccc2)cc1 ZINC000150607389 KK Annotated Anodyne COc1c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(Br)c(CO)c1-c1c(CO)c(Br)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1OC ZINC000150607530 KK Annotated Anodyne CCc1ccc(N(C(=O)/C=C/c2ccc(OC(C)=O)c(OC(C)=O)c2)c2cc(C(F)(F)F)cc3c(S(=O)(=O)Nc4ccc(S(=O)(=O)CC)cc4)cccc23)cc1 ZINC000150607858 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cccc23)C(F)(F)F)cc1OC(C)=O ZINC000150607864 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000150607865 KK Annotated Anodyne CCOC(=O)N(CCOc1ccc(Oc2ccc(Cl)cc2)cc1)S(=O)N(CCOc1ccc(Oc2ccc(Cl)cc2)cc1)C(=O)OCC ZINC000150607910 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(=O)/C=C/c3ccccc3)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150607933 KK Annotated Mild Cc1cccc(-c2cccc(COc3c4cc(CCN)cc3Cc3cc(CCN)cc(c3O)Cc3cc(CCN)cc(c3OCc3cccc(-c5cccc(C)n5)n3)Cc3cc(CCN)cc(c3O)C4)n2)n1 ZINC000150607935 KK Annotated Anodyne COC(=O)CCCNC(=O)N(Cc1cc(O)c(O)c(Br)c1Br)Cc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000150607937 KK Annotated Clean CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C ZINC000150608053 KK Annotated Reactive CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C ZINC000150608056 KK Annotated Reactive S=C(/N=c1\sc(NCc2ccccc2)nc2sc3c(c12)CCN(N1CCc2c(sc4nc(NCc5ccccc5)s/c(=N\C(=S)NCc5ccccc5)c24)C1)C3)NCc1ccccc1 ZINC000150608119 KK Annotated Anodyne O=C1NCCc2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O ZINC000150608202 KK Annotated Mild COC(=O)[C@H](CC[S@@](C)=O)NC(=O)c1ccc(-c2c3ccc(n3)c(-c3cccc(OC)c3)c3ccc([nH]3)c(-c3cccc(OC)c3)c3ccc(n3)c(-c3cccc(OC)c3)c3ccc2[nH]3)cc1 ZINC000150608228 KK Annotated Anodyne CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)[C@@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000150608304 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N\[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000150608307 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000150608309 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccc(Cl)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(Cl)cc4)N=C3C)cc2)cc1 ZINC000150608312 KK Annotated Clean CC(=O)O[C@@]1([C@@H]2C(C)=C(OC(=O)[C@@H](O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)C3=C(C)[C@@H](O)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCOC(=O)C(C)(C)C ZINC000150608394 KK Annotated Mild CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1n[nH]c2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCC/C4=C\c1ccc(Cl)cc1 ZINC000150608494 KK Annotated Anodyne Brc1ccc(CNC2=CC[C@H]3C(=C2)[C@@H]2c4cc(NCc5ccc(Br)cc5)ccc4C[C@@H]3N3CCC[C@@H]23)cc1 ZINC000150608496 KK Annotated Anodyne CCCCCCCCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2O ZINC000150608702 KK Annotated Mild CCCCCCCCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@@H]2O ZINC000150608704 KK Annotated Mild CCCCCCCCOC(=O)[C@@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O ZINC000150608706 KK Annotated Mild O=S(=O)(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@H]2c2cccs2)cc1 ZINC000150608707 KK Annotated Anodyne O=S(=O)(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@@H]2c2cccs2)cc1 ZINC000150608708 KK Annotated Anodyne O=S(=O)(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@H]2c2cccs2)cc1 ZINC000150608711 KK Annotated Anodyne O=S(=O)(/N=c1\scc(-c2ccccc2)n1-c1ccccc1)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@@H]2c2cccs2)cc1 ZINC000150608713 KK Annotated Anodyne COc1cc(/C=C/OC(=O)[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](C(=O)Oc4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000150608714 KK Annotated Bother O=C(c1ccccc1)n1c(-c2ccccc2)cs/c1=N\S(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@H]2c2cccs2)cc1 ZINC000150608716 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCO/C(=N\c1ccc(Br)cc1)SS/C(=N/c1ccc(Br)cc1)OCCN1C(=O)c3ccc(C)cc3C1=O)C2=O ZINC000150608717 KK Annotated Reactive O=C(c1ccccc1)n1c(-c2ccccc2)cs/c1=N\S(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@H]3[C@@H]2c2cccs2)cc1 ZINC000150608718 KK Annotated Anodyne O=C(c1ccccc1)n1c(-c2ccccc2)cs/c1=N\S(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@H]2c2cccs2)cc1 ZINC000150608719 KK Annotated Anodyne O=C(c1ccccc1)n1c(-c2ccccc2)cs/c1=N\S(=O)(=O)c1ccc(N2N=C3c4ccccc4C[C@@H]3[C@@H]2c2cccs2)cc1 ZINC000150608721 KK Annotated Anodyne Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\Nc1c3ccccc3nc3ccccc13)/C(=C/Nc1c3ccccc3nc3ccccc13)C(=O)C(O)=C2C(C)C ZINC000150608723 KK Annotated Mild COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](Cc1ccc(OP(=O)(OCc2ccccc2)OCc2ccccc2)cc1)NP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000150608812 KK Annotated Anodyne COC(=O)c1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(OC)c1-c1c(OC)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(Br)c1C(=O)OC ZINC000150608853 KK Annotated Anodyne O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000150608941 KK Annotated Reactive O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000150608944 KK Annotated Reactive O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000150608948 KK Annotated Reactive COc1ccccc1N1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(C3C4=C(CC(C)(C)CC4=O)N(c4ccccc4OC)C4=C3C(=O)CC(C)(C)C4)c2)C2=C1CC(C)(C)CC2=O ZINC000150609019 KK Annotated Mild C[C@@H]1S[C@@H](c2ccc(Cl)cc2)N(c2ccc(CCc3ccc(N4C(=O)[C@H](C)S[C@H]4c4ccc(Cl)cc4)cc3)cc2)C1=O ZINC000150609160 KK Annotated Anodyne COc1ccc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(CCc3ccc(N4C(=O)[C@H](C)S[C@H]4c4ccc(OC)c(OC)c4)cc3)cc2)cc1OC ZINC000150609162 KK Annotated Anodyne CC1(C)OC2=C(C(=O)C3=C(C2=O)[C@H]2c4cc(Br)ccc4CO[C@H]2C(C)(C)O3)[C@@H]2c3cc(Br)ccc3OC[C@@H]21 ZINC000150609206 KK Annotated Mild Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000150609234 KK Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1O[C@@](C)(CCC=C(C)C)C=C2 ZINC000150609237 KK Annotated Mild Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000150609240 KK Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1O[C@](C)(CCC=C(C)C)C=C2 ZINC000150609243 KK Annotated Mild Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000150609245 KK Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1O[C@@](C)(CCC=C(C)C)C=C2 ZINC000150609249 KK Annotated Mild Nc1c(C(=O)c2cc3ccccc3oc2=O)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000150609252 KK Annotated Anodyne CCCC(=O)c1c(O)c(CC2=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c2c1O[C@](C)(CCC=C(C)C)C=C2 ZINC000150609254 KK Annotated Mild CCCC(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O ZINC000150609262 KK Annotated Mild CCCC(=O)c1c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC2=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c1O ZINC000150609267 KK Annotated Mild COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCNc3nnc(C)s3)c(OC)c2)ccc1OC(=O)CCNc1nnc(C)s1 ZINC000150609499 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@@H](OC(C)=O)[C@H](CCCCCCCCCCCCCCCCC)OC(C)=O ZINC000150609708 KK Annotated Mild CCC/C(=N\OCc1ccccc1)C1=C(O)C[C@H](c2cccc([C@@H]3CC(=O)C(/C(CCC)=N/OCc4ccccc4)=C(O)C3)c2)CC1=O ZINC000150609724 KK Annotated Mild CCC/C(=N\OCc1ccccc1)C1=C(O)C[C@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OCc4ccccc4)=C(O)C3)c2)CC1=O ZINC000150609726 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C\C1=O)[S@](=O)SC(=O)[C@]2(C)O ZINC000150609727 KK Annotated Reactive CCC/C(=N\OC(c1ccccc1)c1ccccc1)C1=C(O)C[C@H](c2cccc([C@@H]3CC(=O)C(/C(CCC)=N/OC(c4ccccc4)c4ccccc4)=C(O)C3)c2)CC1=O ZINC000150609728 KK Annotated Mild CCC/C(=N\OC(c1ccccc1)c1ccccc1)C1=C(O)C[C@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OC(c4ccccc4)c4ccccc4)=C(O)C3)c2)CC1=O ZINC000150609730 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1cccc(C#N)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3cccc(C#N)c3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000150609763 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3C#N)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000150609768 KK Annotated Mild CCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)C(=O)N[C@@H](C)C(=O)NCCN(C(=O)OC(C)(C)C)CCNC(=O)[C@H](C)NC3=O ZINC000150609831 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)NC(=O)[C@@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCCCCC)OC(C)=O ZINC000150609914 KK Annotated Mild CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N\[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccccc4Cl)N=C3C)cc2)cc1 ZINC000150610063 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccccc4Cl)N=C3C)cc2)cc1 ZINC000150610066 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccccc2Cl)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@@H]3C(=O)N(C(=O)CC(=O)Nc4ccccc4Cl)N=C3C)cc2)cc1 ZINC000150610068 KK Annotated Clean Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](CCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150610099 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3ccccc3)NC(=O)NCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150610105 KK Annotated Mild C1=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C\c2ccccc2OCCCCOc2ccccc2/1 ZINC000150610108 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3ccccc3)NC(=O)NCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150610111 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](CCc3ccccc3)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150610116 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 ZINC000150610121 KK Annotated Mild CC1(C)C=C(/C=C2/N(S(=O)(=O)C(F)(F)F)C(/C=C3/N(S(=O)(=O)C(F)(F)F)[C@](C)(C#N)CC3(C)C)=CC2(C)C)N=C1/C=C1/CC(C)(C)C(=O)N1 ZINC000150610136 KK Annotated Mild CC1(C)C=C(/C=C2/N(S(=O)(=O)C(F)(F)F)C(/C=C3/N(S(=O)(=O)C(F)(F)F)[C@@](C)(C#N)CC3(C)C)=CC2(C)C)N=C1/C=C1/CC(C)(C)C(=O)N1 ZINC000150610137 KK Annotated Mild CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)Cc1c2ccc(cc3ccc(cc4ccc(cc5ccc1[nH]5)n4)[nH]3)n2 ZINC000150610232 KK Annotated Mild CCCCCCCCCCCCCCCCCC1=c2ccc([nH]2)=C(CCCCCCCCCCCCCCCCC)C2=NC(=CC3=NC(=CC3)C=C3C=CC1=N3)C=C2 ZINC000150610243 KK Annotated Mild C=C1C[C@@](Cn2c(=O)cnn(C[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610318 KK Annotated Mild C=C1C[C@](Cn2ncc(=O)n(C[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610320 KK Annotated Mild C=C1C[C@@](Cn2ncc(=O)n(C[C@@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610321 KK Annotated Mild C=C1C[C@@](Cn2ncc(=O)n(C[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610323 KK Annotated Mild C=CCCCCCC(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N(C)CCCCCCCCC(=O)OC)C(C)C)C(C)C)C(C)C ZINC000150610326 KK Annotated Mild Cc1ccc(-c2ccc(COc3c4cc(CCN)cc3Cc3cc(CCN)cc(c3O)Cc3cc(CCN)cc(c3OCc3ccc(-c5ccc(C)cn5)nc3)Cc3cc(CCN)cc(c3O)C4)cn2)nc1 ZINC000150610327 KK Annotated Anodyne C=C1C[C@](Cn2nc(C)c(=O)n(C[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610333 KK Annotated Mild C=C1C[C@@](Cn2nc(C)c(=O)n(C[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610335 KK Annotated Mild C=C1C[C@@](Cn2c(=O)c(C)nn(C[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610336 KK Annotated Mild C=C1C[C@@](Cn2nc(C)c(=O)n(C[C@@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)c2=O)(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000150610338 KK Annotated Mild O=S(=O)(O)c1ccc(-c2c3nc(c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4ccc([nH]4)c(-c4ccc(S(=O)(=O)O)cc4)c4ccc2n4)CC3)cc1 ZINC000150610391 KK Annotated Bother CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000150610499 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000150610506 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1 ZINC000150610513 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1 ZINC000150610520 KK Annotated Anodyne N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 ZINC000150610528 KK Annotated Reactive N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 ZINC000150610530 KK Annotated Reactive N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 ZINC000150610531 KK Annotated Reactive N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 ZINC000150610533 KK Annotated Reactive COC(=O)C1=C(C(=O)Nc2cccnc2Cl)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=C[C@@H]1c1ccc(OC)cc1OC ZINC000150610536 KK Annotated Bother COC(=O)C1=C(C(=O)Nc2cccnc2Cl)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=C[C@H]1c1ccc(OC)cc1OC ZINC000150610537 KK Annotated Bother COc1cc(/C=C/c2cc(/C=C/c3cc(/N=N/c4ccc(Cl)cc4)c(O)c(OC)c3)n(CO)n2)cc(/N=N/c2ccc(Cl)cc2)c1O ZINC000150610578 KK Annotated Clean CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CCCCc3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000150610606 KK Annotated Anodyne CCCCCCCCCCCCCC[C@](CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(CN1CCN(CCO)CC1)NS(=O)(=O)c1ccc(C)cc1 ZINC000150610665 KK Annotated Mild CCCCCCCCCCCCCC[C@@](CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)(CN1CCN(CCO)CC1)NS(=O)(=O)c1ccc(C)cc1 ZINC000150610673 KK Annotated Mild CCCCCCCCCCCCNC[C@@](C)(CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000150610677 KK Annotated Mild CCCCCCCCCCCCNC[C@](C)(CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000150610680 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000150610683 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000150610686 KK Annotated Mild CCCCCCCCC[C@]1(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000150610690 KK Annotated Mild CCCCCCCCC[C@@]1(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000150610694 KK Annotated Mild CCC[C@]1(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000150610698 KK Annotated Anodyne CCC[C@@]1(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1 ZINC000150610701 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@]2(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2ccccc2)cc1 ZINC000150610705 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@]2(CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c2ccccc2)cc1 ZINC000150610708 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](C)[C@@H]2CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000150610712 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](C)[C@@H]2CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000150610717 KK Annotated Anodyne CCCCCCC[C@@H]1[C@H](CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000150610723 KK Annotated Mild CCCCCCC[C@H]1[C@H](CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000150610726 KK Annotated Mild CCCCCCC[C@@H]1[C@@H](CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000150610728 KK Annotated Mild CCCCCCC[C@H]1[C@@H](CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2O)N1S(=O)(=O)c1ccc(C)cc1 ZINC000150610729 KK Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](CO[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)C2(C)C)cc1 ZINC000150610732 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](CO[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)C2(C)C)cc1 ZINC000150610735 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]2CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000150610739 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]2CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000150610741 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@]2(C)CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000150610744 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@]2(C)CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000150610746 KK Annotated Anodyne Cc1c(CC#N)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150610776 KK Annotated Mild CSCC(C)(C)NC(=O)c1c(I)cccc1C(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1C ZINC000150610944 KK Annotated Mild COc1ccc(CC(=O)O[C@H]2C(=O)[C@]3(C)[C@@H](OC(=O)/C=C/c4ccc(C(=O)c5ccccc5)cc4)C[C@H]4OC[C@@]4(OC(C)=O)[C@H]3[C@H](OCc3ccccc3)[C@]3(O)C[C@H](OC(C)=O)C(C)=C2C3(C)C)cc1 ZINC000150610966 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000150610980 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000150610982 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 ZINC000150611125 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611131 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611134 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H](CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611139 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H](CCc3cn(C(=O)OC(C)(C)C)c4ccccc34)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611145 KK Annotated Mild CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)NCCN(CCN)CCN)c5C)c(CC)c4C)c(C)c3CCC(=O)NCCN(CCN)CCN ZINC000150611154 KK Annotated Bother Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611158 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)NC[C@@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 ZINC000150611160 KK Annotated Mild CC(C)(C)OC(=O)CN1[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC[C@@H]1[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000150611166 KK Annotated Anodyne CC(C)(C)OC(=O)CN1[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC[C@H]1[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)NC(=O)OC(C)(C)C ZINC000150611169 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)N(Cc3ccccc3)C[C@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611183 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)NC[C@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611186 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)NC[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611189 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)NC[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)N2Cc2ccccc2)c(C)c2c1OC(C)(C)C2 ZINC000150611192 KK Annotated Mild Cc1c(C)c(S(=O)(=O)/N=C(/N)NCCC[C@H]2C(=O)NC[C@H]([C@H](Cc3cn(C(=O)OC(C)(C)C)c4ccccc34)NC(=O)OC(C)(C)C)N2CC(=O)OC(C)(C)C)c(C)c2c1OC(C)(C)C2 ZINC000150611194 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccccc3)c(C=O)c2NC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2)CC1 ZINC000150611200 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)CNCCNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCCNCc2cc(C(C)(C)C)ccc2OC1 ZINC000150611217 KK Annotated Anodyne CCCCCCCCCC(CCCCCCCCC)CC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CC(CCCCCCCCC)CCCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000150611320 KK Annotated Mild O=C(O)CCCCCCCCCCC(=O)N(CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O ZINC000150611327 KK Annotated Mild CCOC(=O)C1=C(C)N(C[C@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(Cl)cc3)cc2)C(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000150611405 KK Annotated Mild CCOC(=O)C1=C(C)N(C[C@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(Cl)cc3)cc2)C(=S)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000150611409 KK Annotated Mild CCOC(=O)C1=C(C)N(C[C@@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(Cl)cc3)cc2)C(=S)N[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000150611413 KK Annotated Mild CCOC(=O)C1=C(C)N(C[C@@H](O)COc2ccc(/C=N/C(=S)Nc3ccc(Cl)cc3)cc2)C(=S)N[C@H]1c1ccccc1[N+](=O)[O-] ZINC000150611418 KK Annotated Mild COc1ccc(C(C(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)C#Cc4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150611423 KK Annotated Mild CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)o1)COC(C)=O ZINC000150611459 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@H](OC(C)=O)C(C)(C)c1cc(=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)o1)COC(C)=O ZINC000150611462 KK Annotated Anodyne COc1ccc(C(C(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)C#Cc4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150611491 KK Annotated Mild COc1cc(/C=C/c2cc(/C=C/c3cc(/N=N/c4ccc(Cl)cc4)c(O)c(OC)c3)n(C=O)n2)cc(/N=N/c2ccc(Cl)cc2)c1O ZINC000150611523 KK Annotated Clean COc1cc(C#CC(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150611552 KK Annotated Mild N/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3c([nH]2)C(=O)c2ccccc2C3=O)cc1)c1nc2c([nH]1)C(=O)c1ccccc1C2=O ZINC000150611556 KK Annotated Clean C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)C ZINC000150611557 KK Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000150611558 KK Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)(C)C ZINC000150611560 KK Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)(C)C ZINC000150611567 KK Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)C ZINC000150611570 KK Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000150611575 KK Annotated Reactive C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)(C)C ZINC000150611583 KK Annotated Reactive COc1cc(C#CC(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150611717 KK Annotated Mild CCC(=O)O[C@@H](/C(C)=C/[C@@H](C)c1oc(CC)c(C)c(=O)c1C)[C@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)c1oc([C@@H](C)[C@H](CC)OC(C)=O)c(C)c(=O)c1C ZINC000150611881 KK Annotated Anodyne CCC(=O)O[C@@H](/C(C)=C/[C@@H](C)c1oc(CC)c(C)c(=O)c1C)[C@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)c1oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c1C ZINC000150611884 KK Annotated Anodyne CCc1oc([C@H](C)/C=C(\C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)c2oc([C@@H](C)[C@H](CC)OC(C)=O)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000150611886 KK Annotated Anodyne CCc1oc([C@H](C)/C=C(\C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000150611889 KK Annotated Anodyne COc1cc(C#CC(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150611890 KK Annotated Mild CCc1oc([C@H](C)/C=C(\C)[C@H](O)[C@H](C)[C@@H](OC(=O)CC(C)C)[C@@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000150611892 KK Annotated Anodyne CCC(=O)[C@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)([C@@H](C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](OC(=O)CC(C)C)[C@@H]2C)c(C)c(=O)c1C ZINC000150611895 KK Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](CC(=O)O)O[C@H](CO)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000150611909 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H]1O ZINC000150611919 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H]1O ZINC000150611920 KK Annotated Mild COc1cc(/C=C/C(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150611930 KK Annotated Anodyne COC(=O)[C@H](C(=O)Oc1ccccc1)[C@H]1C(C)(C)[C@H](C(=O)Oc2ccccc2)[C@@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O ZINC000150611982 KK Annotated Anodyne CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)NCCOCCOCCO)c5C)c(CC)c4C)c(C)c3CCC(=O)NCCOCCOCCO ZINC000150612028 KK Annotated Bother COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150612093 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)c(C(F)(F)F)c1)SS/C(=N/c1ccc(Cl)c(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000150612359 KK Annotated Reactive COC(=O)[C@H](C(=O)Oc1ccccc1)[C@H]1C(C)(C)[C@H](C(=O)Oc2ccccc2)[C@]2(O)C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000150612371 KK Annotated Anodyne CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(C)=O ZINC000150612375 KK Annotated Mild CCCOc1c2cccc1Cc1cc3cc(c1OCCC)Cc1cccc(c1OCCC)Cc1cc(cc(c1OCCC)C2)C(=O)N[C@H](C)C(=O)NCCNCCNC(=O)[C@@H](C)NC3=O ZINC000150612399 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(Cl)ccc54)[C@H](C)C3)c(F)c21 ZINC000150612444 KK Annotated Mild C/C=C(\C)OC(=O)[C@@H]1[C@@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@](C)(C2=O)[C@@H]([C@H](C(=O)OC)C(=O)Oc2ccccc2)C1(C)C ZINC000150612481 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC[C@@H]2C[C@@H]3CC[C@@H]2C3)C1=N ZINC000150612512 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccccc3)c2C#N)C(C)(C)C1 ZINC000150612540 KK Annotated Mild COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@H](Br)[C@H](Br)c2ccc(O)c(OC)c2)ccc1O ZINC000150612543 KK Annotated Reactive COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](Br)[C@H](Br)c2ccc(O)c(OC)c2)ccc1O ZINC000150612545 KK Annotated Reactive COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@H](Br)[C@@H](Br)c2ccc(O)c(OC)c2)ccc1O ZINC000150612547 KK Annotated Reactive COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](Br)[C@@H](Br)c2ccc(O)c(OC)c2)ccc1O ZINC000150612551 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000150612673 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000150612680 KK Annotated Reactive Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](C(=O)O)c1ccc(O)cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@@H](C(=O)O)c1ccc(O)cc1)C(=O)C(O)=C2C(C)C ZINC000150612688 KK Annotated Mild C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000150612695 KK Annotated Reactive Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@@H](C(=O)O)c1ccc(O)cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](C(=O)O)c1ccc(O)cc1)C(=O)C(O)=C2C(C)C ZINC000150612699 KK Annotated Mild C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000150612702 KK Annotated Reactive Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)/C(=C/N[C@H](C(=O)O)c1ccc(O)cc1)C(=O)C(O)=C3C(C)C)/C(=C/N[C@H](C(=O)O)c1ccc(O)cc1)C(=O)C(O)=C2C(C)C ZINC000150612712 KK Annotated Mild COC(=O)[C@H](C(=O)Oc1ccccc1)[C@H]1C(C)(C)[C@H](C(=O)Oc2ccccc2)[C@@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000150612848 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)c([123I])c(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000150612894 KK Annotated Bother COc1cc(/C=C/C(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150612921 KK Annotated Anodyne O=C1N[C@@H]2[C@H](CCCCC(=O)OCCCCCCC[C@@H](O)[C@H]3CC[C@H]([C@H]4CC[C@H]([C@H](O)CCCCCCOc5ccc(C6(C(F)(F)F)N=N6)cc5)O4)O3)SC[C@@H]2N1 ZINC000150612961 KK Annotated Anodyne O=C1[C@H]2C(c3ccc(Br)cc3)=NO[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4ON=C(c5ccc(Br)cc5)[C@H]4C3=O)cc2)cc1 ZINC000150612980 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3Cl)C(=O)N2c2sc3c(c2C#N)C=C(/C=C/c2c(C)nn(-c4ccccc4)c2Cl)CC3(C)C)cc1 ZINC000150613017 KK Annotated Mild COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3Cl)C(=O)N2c2sc3c(c2C#N)C=C(/C=C/c2c(C)nn(-c4ccccc4)c2Cl)CC3(C)C)cc1O ZINC000150613020 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccc([N+](=O)[O-])cc3)c2C#N)C(C)(C)C1 ZINC000150613024 KK Annotated Mild COc1cc([C@@H]2[C@H](Oc3ccc(Cl)cc3Cl)C(=O)N2c2sc3c(c2C#N)C=C(/C=C/c2c(C)nn(-c4ccccc4)c2Cl)CC3(C)C)cc(OC)c1OC ZINC000150613027 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccccc3Cl)c2C#N)C(C)(C)C1 ZINC000150613042 KK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c(S(=O)(=O)Nc4ccc(S(=O)(=O)C(F)(F)F)cc4)cccc23)C(F)(F)F)cc1OC(C)=O ZINC000150613111 KK Annotated Anodyne Cc1cc(N2C(=O)C[C@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OCc3ccccc3)N(Cc3ccc(Br)cc3)C2=O)ccc1Cl ZINC000150613126 KK Annotated Anodyne Cc1cc(N2C(=O)C[C@@H]([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]3OCc3ccccc3)N(Cc3ccc(Br)cc3)C2=O)ccc1Cl ZINC000150613127 KK Annotated Anodyne COc1ccc(/N=C2\S/C(=N\C(=N\c3ccccc3)SCc3ccccc3)N(c3ccccc3)\C2=N/c2ccc(OC)cc2)cc1 ZINC000150613190 KK Annotated Mild CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCNC(=N)N)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCNC(=N)N)C2 ZINC000150613218 KK Annotated Anodyne COc1ccc(C(C(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)C#Cc4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150613508 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccc(N(C)C)cc3)c2C#N)C(C)(C)C1 ZINC000150613550 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccccc3O)c2C#N)C(C)(C)C1 ZINC000150613552 KK Annotated Mild COc1ccc(C(C(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@H](OC(=O)C#Cc4cc(OC)c(OC)c(OC)c4)CC3)CC2)c2ccc(OC)cc2)cc1 ZINC000150613614 KK Annotated Mild COc1cc(/C=C/C(=O)O[C@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150613621 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)N(SC(F)(F)F)c2cccc3c(S(=O)(=O)Nc4ccc(S(=O)(=O)C(F)(F)F)cc4)cccc23)cc1OC(C)=O ZINC000150613625 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)N(c2cccc3c(S(=O)(=O)Nc4ccc(SC(F)(F)F)cc4)cccc23)S(=O)(=O)C(F)(F)F)cc1OC(C)=O ZINC000150613628 KK Annotated Anodyne Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\Nc1cccc3c(N)cccc13)/C(=C/Nc1cccc3c(N)cccc13)C(=O)C(O)=C2C(C)C ZINC000150613654 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc(C1C(=O)c3ccccc3C1=O)c2-c1c(C2C(=O)c3ccccc3C2=O)ccc2c1C(=O)c1ccccc1C2=O ZINC000150613925 KK Annotated Clean O=C(NCCc1cc2cc(c1)CNC(=O)c1coc(n1)-c1coc(n1)-c1cc(OCCCN3C(=O)c4ccccc4C3=O)cc(n1)-c1nc(co1)-c1nc(co1)C(=O)NC2)OCc1ccccc1 ZINC000150614024 KK Annotated Anodyne O=C1[C@]2(CC[C@@]13[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000150614052 KK Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCc2ccc(OC)c(OC)c2)[C@H](OC(=O)NCc2ccc(OC)c(OC)c2)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000150614327 KK Annotated Mild CCCCCCCCC(CCCCCCCC)CC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](COC(=O)CC(CCCCCCCC)CCCCCCCC)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000150614399 KK Annotated Mild O=C1[C@H]2C(c3ccccc3[N+](=O)[O-])=[N+](c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4O[N+](c5ccccc5)=C(c5ccccc5[N+](=O)[O-])[C@H]4C3=O)cc2)cc1 ZINC000150614508 KK Annotated Bother COc1cc(C#CC(=O)O[C@@H]2CC[C@@H](N(C)[C@@H]3CC[C@@H](OC(=O)C4c5ccccc5-c5ccccc54)CC3)CC2)cc(OC)c1OC ZINC000150614520 KK Annotated Mild Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c2c1O ZINC000150615022 KK Annotated Mild CN1[C@@]2(c3ccccc3)C(C(=O)c3ccccc3)=C(C(=O)c3ccccc3)[C@@]1(c1ccccc1)c1c(-c3ccccc3)sc(-c3ccccc3)c12 ZINC000150615248 KK Annotated Mild CN1[C@]2(c3ccccc3)C(C(=O)c3ccccc3)=C(C(=O)c3ccccc3)[C@]1(c1ccccc1)c1c(-c3ccccc3)sc(-c3ccccc3)c12 ZINC000150615252 KK Annotated Mild C[N+](C)(CCCC[N+](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000150615319 KK Annotated Mild O[C@H]1[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21 ZINC000150615469 KK Annotated Anodyne Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc2n4)CC3)c1 ZINC000150615991 KK Annotated Bother O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCSSCCC(=O)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(CC5(CCCCC5)OO2)[C@@H](C4)C3)c1 ZINC000150616143 KK Annotated Reactive COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000150616210 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000150616215 KK Annotated Anodyne O=C1O/C(=C(\Br)Cn2c(Br)c(/C=C/Br)c(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000150616586 KK Annotated Anodyne CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N\[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccccc4C)N=C3C)cc2)cc1 ZINC000150616641 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccccc4C)N=C3C)cc2)cc1 ZINC000150616642 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccccc2C)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@@H]3C(=O)N(C(=O)CC(=O)Nc4ccccc4C)N=C3C)cc2)cc1 ZINC000150616646 KK Annotated Clean O=[N+]([O-])c1cc(-c2c3ccc(n3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)c3ccc([nH]3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)c3ccc([nH]3)c(-c3ccc(Cl)c([N+](=O)[O-])c3)c3ccc2n3)ccc1Cl ZINC000150616734 KK Annotated Bother Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)c([123I])c(O)c6c(=O)c7c(O)cc(C(=O)O)c8c1c2c(c34)c(c78)c65 ZINC000150616863 KK Annotated Bother CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)N[C@H]1[C@@H](C)CCC[C@H]1C)C(C)(C)C)CC(=O)C(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C ZINC000150616906 KK Annotated Anodyne C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@@H]%16[C@H]%13[C@@]%114C[N+](C)(C)C[C@]%104C=9[C@H]8[C@@H]7C5=C6[C@]23C1 ZINC000150617103 KK Annotated Bother O=C(O)C1(C(=O)O)[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%15c%12c(c%20%16)c%21c%15c%23c5c(c68)c%15c%12%11)[C@@]12[C@@H]%22[C@H]%19c1c-%18c2c5c(c13)[C@@H]4[C@@H]7C9=C5[C@@]1([C@H]2[C@H]%17%14)C(C(=O)O)(C(=O)O)[C@]%10%131 ZINC000150617123 KK Annotated Bother O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@@H]([C@@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000150617351 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@@H]([C@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000150617353 KK Annotated Anodyne COCC/C(SC(=O)c1ccccc1C(F)(F)F)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1ccccc1C(F)(F)F ZINC000150617404 KK Annotated Anodyne CC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)C(C)(C)C)NC(=O)[C@@H](NC(=O)N[C@H]1[C@@H](C)CCC[C@H]1C)C(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C ZINC000150617484 KK Annotated Anodyne COc1cc2c(c3oc4cc(Br)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150617618 KK Annotated Bother COc1cc2c(c3oc4cc(Br)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150617620 KK Annotated Bother COc1cc2c(c3oc4cc(Br)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150617623 KK Annotated Bother C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](CO)CC(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C ZINC000150617706 KK Annotated Anodyne CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)N/N=C1C(=N/NC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)\[C@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1 ZINC000150617912 KK Annotated Reactive C=C1[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150618361 KK Annotated Mild CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000150618475 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C1(C)C ZINC000150618523 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000150618552 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000150618591 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000150618595 KK Annotated Anodyne C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(=O)/C=C/c3ccccc3)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150618667 KK Annotated Mild C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150618670 KK Annotated Mild COc1c(Br)c2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150618774 KK Annotated Bother COc1c(Br)c2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150618778 KK Annotated Bother COc1c(Br)c2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150618782 KK Annotated Bother C=C(/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C)NCCCNCCCCNCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/c1c(C)cc(OC)c(C)c1C ZINC000150619183 KK Annotated Anodyne CCCCCC[C@]1(O)c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3ccc(n3)c(-c3cccc(O)c3)c3ccc([nH]3)c2-c2cccc(O)c2)[C@]1(O)CCCCCC ZINC000150619263 KK Annotated Bother COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 ZINC000150619538 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC(=O)OC[C@@H]1CC[C@H](n2cnc3c(=O)[nH]cnc32)O1 ZINC000150619554 KK Annotated Mild CC(C)(C)C(=O)OCC1=C[C@@H](OC(=O)C(C)(C)C)C2=CC(=O)O[C@@H](O[C@@H]3O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12 ZINC000150619598 KK Annotated Anodyne COC(=O)CCC(=O)OCC/C(SC(=O)CCC(=O)OC)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(=O)CCC(=O)OC)SC(=O)CCC(=O)OC ZINC000150619767 KK Annotated Anodyne Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)[C@](O)(C(F)(F)F)[C@]3(O)C(F)(F)F)c1 ZINC000150619799 KK Annotated Bother C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000150620113 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000150620222 KK Annotated Bother O=C(O)c1cc(Cl)c(Cl)cc1-c1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 ZINC000150620355 KK Annotated Bother CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)CNC(=O)CNC(=O)OCC(COC(CO)CO)COC(CO)CO ZINC000150620462 KK Annotated Mild CC[C@@H](C)CCCCCC/C(=C/C(=O)C1=C2C=C(C[C@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O)NCc1ccccc1 ZINC000150620641 KK Annotated Mild CC[C@H](C)CCCCCC/C(=C/C(=O)C1=C2C=C(C[C@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O)NCc1ccccc1 ZINC000150620646 KK Annotated Mild CC[C@@H](C)CCCCCC/C(=C/C(=O)C1=C2C=C(C[C@@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O)NCc1ccccc1 ZINC000150620650 KK Annotated Mild CC[C@H](C)CCCCCC/C(=C/C(=O)C1=C2C=C(C[C@@H](O)CO)/C(=C/NCc3ccccc3)C(=O)[C@]2(C)OC1=O)NCc1ccccc1 ZINC000150620657 KK Annotated Mild O=C(O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@H]2CC[C@@H](C(C(=O)O)C(=O)O)CC2)cc1 ZINC000150621093 KK Annotated Anodyne COc1cc2c[n+](C)c3c4cc(OC)c(OC)cc4c(OCCCCCCCCOc4cc5c6cc(OC)c(OC)cc6c[n+](C)c5c5cc(OC)c(OC)cc45)cc3c2cc1OC ZINC000150621157 KK Annotated Bother Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000150621353 KK Annotated Anodyne COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150621482 KK Annotated Bother COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150621485 KK Annotated Bother COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150621488 KK Annotated Bother COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150621644 KK Annotated Bother COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150621646 KK Annotated Bother COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150621648 KK Annotated Bother COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150621653 KK Annotated Bother COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150621657 KK Annotated Bother COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150621659 KK Annotated Bother COc1ccc2oc3c4c(cc(OC)c3c(=O)c2c1)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150621660 KK Annotated Bother COc1ccc2oc3c4c(cc(OC)c3c(=O)c2c1)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000150621662 KK Annotated Bother COc1ccc2oc3c4c(cc(OC)c3c(=O)c2c1)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150621664 KK Annotated Bother Cc1c(-n2c3c(c(-c4ccccc4)c2-c2ccccc2)C(=S)N2C(=O)/C(=C/c4ccccc4)S[C@@H]2N3)n(C)n(-c2ccccc2)c1=O ZINC000150621744 KK Annotated Anodyne Cc1c(-n2c3c(c(-c4ccccc4)c2-c2ccccc2)C(=S)N2C(=O)/C(=C/c4ccccc4)S[C@H]2N3)n(C)n(-c2ccccc2)c1=O ZINC000150621746 KK Annotated Anodyne O=C(NCCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2)Nc1cccc([125I])c1 ZINC000150621826 KK Annotated Clean CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(OC(=O)c4ccccc4)c(OC(=O)c4ccccc4)c3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000150621868 KK Annotated Mild CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@@H](C(=O)c4ccc5c(c4O)CCC(C)(C)O5)[C@@H]3c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000150622454 KK Annotated Anodyne COc1ccc(/C=C2/S[C@H](c3c(O)ccc4ccccc34)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@@H]3c3c(O)ccc4ccccc34)C2=O)cc1OC ZINC000150623156 KK Annotated Clean COc1ccc(/C=C2/S[C@@H](c3c(O)ccc4ccccc34)N(NC(=O)CCCCCCCCC(=O)NN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)S[C@@H]3c3c(O)ccc4ccccc34)C2=O)cc1OC ZINC000150623158 KK Annotated Clean CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OS(=O)(=O)c4ccc(C)cc4)c3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000150623289 KK Annotated Mild Oc1ccc([C@@H]2[C@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2cc(O)ccc2[C@H]5[C@@H](c2cc(O)cc(O)c2)O4)cc1 ZINC000150624404 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(OC(=O)OC(C)(C)C)c(O)c3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000150624938 KK Annotated Mild CC(C)C(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c2c3c1OC(C)(C)C[C@H]3[C@H]1C(C)(C)C(=O)C(C)(C)[C@@]1(O)O2 ZINC000150625190 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000150625335 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(OS(C)(=O)=O)c(OS(C)(=O)=O)c3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000150625577 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(OC(=O)c4ccc(Cl)cc4)c3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000150625580 KK Annotated Mild COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625703 KK Annotated Bother COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625704 KK Annotated Bother COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625705 KK Annotated Bother COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625706 KK Annotated Bother COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625707 KK Annotated Bother COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625708 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625714 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625717 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150625721 KK Annotated Bother CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)c2ccc(/N=N\[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(C)cc4)N=C3C)cc2)cc1 ZINC000150626028 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(C)cc4)N=C3C)cc2)cc1 ZINC000150626031 KK Annotated Clean CC1=NN(C(=O)CC(=O)Nc2ccc(C)cc2)C(=O)[C@H]1/N=N\c1ccc(S(=O)(=O)c2ccc(/N=N/[C@@H]3C(=O)N(C(=O)CC(=O)Nc4ccc(C)cc4)N=C3C)cc2)cc1 ZINC000150626034 KK Annotated Clean COC1=C(Br)C[C@]2(CC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCNC(=O)CCCCCCCCCCCC(C)C)cc1Br)[C@@H]2O ZINC000150627277 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150627455 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150627458 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150627463 KK Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150627467 KK Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150627468 KK Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150627469 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(OC)cc5[C@@H](OC)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000150627522 KK Annotated Anodyne COc1cc2c(c3oc4c(F)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150627889 KK Annotated Bother COc1cc2c(c3oc4c(F)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150627891 KK Annotated Bother COc1cc2c(c3oc4c(F)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150627893 KK Annotated Bother COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150627896 KK Annotated Bother COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150627897 KK Annotated Bother COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150627898 KK Annotated Bother COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150627912 KK Annotated Bother COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150627914 KK Annotated Bother COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000150627916 KK Annotated Bother COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150628002 KK Annotated Bother COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150628004 KK Annotated Bother COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000150628006 KK Annotated Bother CCc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150628268 KK Annotated Anodyne CCc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150628269 KK Annotated Anodyne CCc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000150628271 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150628272 KK Annotated Bother CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150628273 KK Annotated Bother CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000150628274 KK Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150628279 KK Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000150628283 KK Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000150628286 KK Annotated Bother CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C\C=C\c1ccc([N+](=O)[O-])o1 ZINC000150628346 KK Annotated Reactive Cc1ccc(S(=O)(=O)Oc2c(NC(=O)CCCCCCCCCCOn3nnc4ccccc43)c(=O)n(C)c3ccccc23)cc1 ZINC000150628430 KK Annotated Anodyne Oc1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1CO[C@@H](c1ccccc1)[C@H](c1ccccc1)OCCOCCO[C@@H](c1ccccc1)[C@H](c1ccccc1)OC2 ZINC000150628467 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC/C=C(\C)CCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O ZINC000150628524 KK Annotated Anodyne O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1ccc(Cl)cc1)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@@H]1c1ccc(Cl)cc1 ZINC000150630432 KK Annotated Clean O=C(CCCCCCCCC(=O)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1ccc(Cl)cc1)NN1C(=O)/C(=C\c2ccc(O)c(O)c2)S[C@H]1c1ccc(Cl)cc1 ZINC000150630436 KK Annotated Clean c1ccc2c3[nH]c(c2c1)=Nc1ccc(cc1)-c1nc2cc(ccc2o1)N=c1[nH]c(c2ccccc12)=Nc1ccc2nc(oc2c1)-c1ccc(cc1)N=3 ZINC000150630628 KK Annotated Anodyne CCCCCCCCCCc1c2ccc(n2)c(CCCCCCCCCC)c2ccc([nH]2)c(CCCCCCCCCC)c2ccc(n2)c(CCCCCCCCCC)c2ccc1[nH]2 ZINC000150630879 KK Annotated Mild O=C(CCCCCCCCC(=O)N1C(=O)CC(=O)N(c2cccc(Cl)c2)C1=S)N1C(=O)CC(=O)N(c2cccc(Cl)c2)C1=S ZINC000150632396 KK Annotated Anodyne c1cc2cc3c4c5c(cc6ccc7cc8cc9c%10c8c8c7c6c5c8c5c%10c(c1[C@H]9N1CCOCCOCCOCCOCCOCC1)c2c45)C3 ZINC000150632481 KK Annotated Bother c1cc2cc3c4c5c(cc6ccc7cc8cc9c%10c8c8c7c6c5c8c5c%10c(c1[C@@H]9N1CCOCCOCCOCCOCCOCC1)c2c45)C3 ZINC000150632486 KK Annotated Bother CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O ZINC000150633000 KK Annotated Anodyne O=C1[C@H]2C(c3c(Cl)cccc3Cl)=NO[C@H]2C(=O)N1c1ccc(Cc2ccc(N3C(=O)[C@H]4ON=C(c5c(Cl)cccc5Cl)[C@H]4C3=O)cc2)cc1 ZINC000150635537 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2nc(N3CCN(CCCCCOc4c(Br)cc(Br)cc4Oc4ccc(Br)cc4Br)CC3)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000150637936 KK Annotated Bother CC1(C)O[C@H](C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)[C@H](C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1 ZINC000150643876 KK Annotated Anodyne Brc1ccc(-c2c3ccc(n3)c(-c3ccc(Br)cc3)c3ccc([nH]3)c(-c3ccc(Br)cc3)c3ccc([nH]3)c(-c3ccc(Br)cc3)c3ccc2n3)cc1 ZINC000150655627 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cnc4cc(OCCOCCOCCOC)c(OCCOCCOCCOC)cc4ncc4nc(cc1n2)c(CCCO)c4C)c(C)c3CCCO ZINC000150656247 KK Annotated Bother investigational c1ccc2cc3c(cc2c1)C1=N/C3=N\C2=N[C@H](/N=C3\N=C(/N=c4/[nH]/c(c5cc6ccccc6cc45)=N/1)c1cc4ccccc4cc13)c1cc3ccccc3cc12 ZINC000150657362 KK Annotated Anodyne C[N+](C)(C)c1ccc(-c2c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc2n3)cc1 ZINC000150657526 KK Annotated Bother COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000150667981 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000150667982 KK Annotated Anodyne CC1(C)/C=C\C2=Nc3cc(Br)c(Br)c(Br)c3[C@@]23CC(=O)N3/C=C(/Cl)c2nc(Br)[nH]c21 ZINC000150678805 KK Annotated Anodyne CC1(C)/C=C/C2=Nc3cc(Br)c(Br)c(Br)c3[C@@]23CC(=O)N3/C=C(/Cl)c2nc(Br)[nH]c21 ZINC000150678806 KK Annotated Anodyne CC1(C)/C=C/C2=Nc3cc(Br)c(Br)c(Br)c3[C@@]23CC(=O)N3/C=C(\Cl)c2nc(Br)[nH]c21 ZINC000150678810 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=C[C@@](C)(CCC=C(C)C)O6)C4=O)C(=O)c4c(ccc5c4C=C[C@@](C)(CCC=C(C)C)O5)C2=O)C3=O)O1 ZINC000151564634 KK Annotated Mild C=C(C)CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000152887248 KK Annotated Mild CC[S@@+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc2[nH]3)cc1 ZINC000153104436 KK Annotated Mild CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4[C@H](O)C[C@H]([C@H](C)N(C)C)[C@@]4(COC(=O)/C=C(/C)C(C)C)CC[C@@H]32)C1 ZINC000153189327 KK Annotated Anodyne CCCCC/C(CCCCCCCCCCCCCCCCCC[C@H](O)CCCCCCC[C@H](C)CC)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153415664 KK Annotated Mild O=C1O[C@@]2(C(c3ccc(O)cc3)=C1O)C(c1ccc(O)cc1)=C1C(=C(c3ccc(O)cc3)C(=O)c3[nH]c4c(OS(=O)(=O)O)cccc4c31)N2CCc1ccc(O)cc1 ZINC000153687697 KK Annotated Mild CC(C)=CC[C@@]1(C)C(O)=C(Cc2c(O)c3c(c(C(=O)C(C)C)c2O)OC(C)(C)C=C3)C(=O)C(C(=O)C(C)C)=C1O ZINC000153712497 KK Annotated Mild O=S(=O)(O)OC(=C\c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)/C(=C/c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)OS(=O)(=O)O ZINC000153730486 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000153825267 KK Annotated Reactive COc1ccc(CCC(=O)c2c(OC)cc3c(c2O)C[C@@H]([C@H](c2cc(O)c(O)cc2O)c2c(O)cc(OC)c(C(=O)CCc4ccc(OC)cc4)c2O)O3)cc1 ZINC000153828605 KK Annotated Clean CC(C)=CC[C@]1(C)C(O)=C(Cc2c(O)c(C(=O)C(C)C)c(O)c3c2OC(C)(C)C=C3)C(=O)C(C(=O)C(C)C)=C1O ZINC000153872729 KK Annotated Mild Oc1ccc2c(c1Cl)CCc1cc(Cl)c(O)c(c1)-c1cc(cc(Cl)c1O)/C=C(/Cl)c1ccc-2c(O)c1Cl ZINC000153907693 KK Annotated Anodyne O=C(c1cccc(O)c1)c1cc(O)c(O)c2c1Oc1cccc(c1)/C=C\c1ccc(O)c(c1)-c1cc(ccc1O)CC2 ZINC000153907932 KK Annotated Clean COc1cc(Cc2ccc(/C(C=O)=C3/NCCc4cc(OC)c(OC)cc43)c(OC)c2OC)c(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1OC ZINC000153917889 KK Annotated Reactive COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000153935627 KK Annotated Bother Oc1ccc(/C=C/c2cc(O)c(-c3c(O)cc(/C=C/c4ccc(O)cc4)c4c(-c5cc(O)cc(O)c5)c(-c5ccc(O)cc5)oc34)c3oc(-c4ccc(O)cc4)c(-c4cc(O)cc(O)c4)c23)cc1 ZINC000154095792 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c4c3Oc3cc5c(nccc5cc3O4)C2)CCN1C ZINC000154121500 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc4c(c3O)C=CC(C)(C)O4)c(O)cc(O)c2c1=O ZINC000154164376 KK Annotated Anodyne COc1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1[C@@H]2[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000154318129 KK Annotated Anodyne COc1ccc2c(c1O)C(=O)c1c(O)cc(C)cc1[C@@H]2[C@H]1c2cc(C)cc(O)c2C(=O)c2c1ccc(OC)c2O ZINC000154318843 KK Annotated Anodyne C=CCc1ccc(Oc2cc([C@H]3Oc4cc(CC=C)cc(Oc5ccc(CC=C)cc5)c4O[C@@H]3COc3ccc(CC=C)cc3-c3cc(CC=C)ccc3O)cc(O)c2O)cc1 ZINC000154453550 KK Annotated Mild O=C1NCCc2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O ZINC000154470028 KK Annotated Mild O=C1NCCc2ccc(O)c(c2)Oc2ccc(cc2Br)[C@@H](O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O ZINC000154470166 KK Annotated Mild O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O ZINC000154470381 KK Annotated Mild CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC/C=C(\C)CCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O ZINC000154528203 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O ZINC000154528749 KK Annotated Anodyne CC(C)=CCOc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O ZINC000154529377 KK Annotated Anodyne C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C(C1=Cc2c(c(C(C)(C)C=C)c4oc(=O)c(C(C)(C)C=C)cc4c2O)OC1(C)C)=C3 ZINC000154562299 KK Annotated Mild Oc1cc(O)c(-c2c(O)cc(O)c(Oc3cc(O)cc(Oc4c(O)cc(O)c(-c5c(O)cc(O)cc5O)c4O)c3Oc3cc(O)c(O)c(O)c3)c2O)c(O)c1 ZINC000154573911 KK Annotated Clean C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@H]([C@@H]1C(=O)c2c(c(C(C)(C)C=C)c4oc(=O)c(C(C)(C)C=C)cc4c2O)OC1(C)C)C3=O ZINC000154574894 KK Annotated Mild COC(=O)/C(c1ccc(O)cc1)=c1\c(-c2ccc(O)cc2)c2c(n1CCc1ccc(O)cc1)=C(c1ccc(O)cc1)C(=O)c1[nH]c3c(OS(=O)(=O)O)cccc3c1-2 ZINC000154592495 KK Annotated Anodyne CCc1c(O)c2c(=O)c3c(O)cc(O)c4c3c3c2c(c1O)c1c(O)c(C(C)C)c(O)c2c(=O)c5c(O)cc(O)c(c5c3c21)[C@@H]4c1ccc(O)cc1 ZINC000154598712 KK Annotated Bother CCc1c(O)c2c(=O)c3c(O)cc(O)c4c3c3c2c(c1O)c1c(O)c(C(C)C)c(O)c2c(=O)c5c(O)c(C)c(O)c(c5c3c21)[C@@H]4c1ccc(O)cc1 ZINC000154598849 KK Annotated Bother CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)c(CC4=C(O)C(C)(C)C(O)=C(C(=O)CCC)C4=O)c(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000154656695 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C)C[C@H]1c1c(c(C)cc3c1[nH]c1c([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc13)O2 ZINC000154800362 KK Annotated Mild CC(C)C(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000154830158 KK Annotated Mild CC(C)C(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000154830272 KK Annotated Mild CC1(C)/C=C/C2=Nc3cc(Br)cc(Br)c3[C@@]23CC(=O)N3/C=C(\Cl)c2nc(Br)[nH]c21 ZINC000154887461 KK Annotated Anodyne CC1(C)/C=C/C2=Nc3cc(Br)ccc3[C@@]23CC(=O)N3/C=C(\Cl)c2nc(Br)[nH]c21 ZINC000154887602 KK Annotated Anodyne COc1ccc2c(c1OC)[C@H](CC(=O)C[C@H]1Nc3c(ccc4cc5c(cc34)OCO5)-c3ccc(OC)c(OC)c31)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000154890288 KK Annotated Anodyne COc1c(-c2c(OC)c3ccoc3c3oc(-c4cc(O)c(O)c5c4C=C[C@@H](C)O5)cc(=O)c23)c2c(=O)cc(-c3cc(O)c(O)c4c3C=C[C@@H](C)O4)oc2c2occc12 ZINC000154937367 KK Annotated Clean C=CC(C)(C)c1cc2c3c4c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@@H]1Oc2c5c(c(C(C)(C)C=C)c6oc(=O)c(C(C)(C)C=C)cc26)OC(C)(C)[C@@H](O3)[C@@H]5[C@@H]41 ZINC000154972099 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@H]1C[C@@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000154994271 KK Annotated Mild COc1cccc(/C=C/C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3cccc(OC)c3OC)C2)c1OC ZINC000015635725 KK Annotated Anodyne COc1cccc(/C=C/C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3cccc(OC)c3OC)C2)c1OC ZINC000015635727 KK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(Nc2ccc(Cl)cc2)CCCC1 ZINC000015636774 KK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1C1(Nc2ccc(Cl)cc2)CCCC1 ZINC000015636776 KK Annotated Anodyne CC(C)(C)[C@@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000015636812 KK Annotated Anodyne CC(C)(C)[C@H](/C=C\c1ccc(Cl)cc1Cl)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000015636814 KK Annotated Anodyne Cc1ccc2c(c1)[C@H]1C[N+](C)(CC(=O)Nc3ccccc3Cl)CC[C@H]1N2C(=O)c1ccccc1Cl ZINC000015906304 KK Annotated Mild Cc1ccc2c(c1)[C@H]1C[N+](C)(CC(=O)c3ccc(Cl)cc3Cl)CC[C@H]1N2C(=O)c1ccc(F)cc1 ZINC000015906408 KK Annotated Mild Cc1ccc2c(c1)[C@H]1C[N+](C)(CC(=O)c3ccc(Cl)cc3Cl)CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000015906409 KK Annotated Mild CC1(C(=O)N2CCC(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)(C(=O)NCC3CCCCC3)CC2)CC1 ZINC000015924610 KK Annotated Anodyne CC1(C(=O)N2CCC(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)(C(=O)NCC3CCCCC3)CC2)CC1 ZINC000015924612 KK Annotated Anodyne O=C(C1CCCC1)N1CCC(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000015924813 KK Annotated Anodyne O=C(C1CCCC1)N1CCC(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000015924816 KK Annotated Anodyne CC(=O)OCCN(CCCn1c(-c2ccncc2)nc2ccccc21)c1nc(-c2ccc(C)cc2)cs1 ZINC000015933655 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000015934718 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000015934719 KK Annotated Anodyne Cc1ccc(-c2csc(N3CCC[C@@H]3C(=O)NCCn3c(-c4ccncc4)nc4ccccc43)n2)cc1 ZINC000015934845 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@@H]2Cn3c(nc4ccccc43)[C@@H]2N1Cc1ccccc1 ZINC000015935033 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1Cc1ccccc1 ZINC000015935035 KK Annotated Anodyne Cc1cc(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c(C(=O)c2ccccc2)cc1Cl ZINC000015935121 KK Annotated Bother Cc1ccc(Cn2c([C@@H](C)Nc3nc(-c4ccc(C)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000015935260 KK Annotated Anodyne Cc1ccc(Cn2c([C@H](C)Nc3nc(-c4ccc(C)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000015935261 KK Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000015936204 KK Annotated Bother NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000015936205 KK Annotated Bother Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c1 ZINC000015936212 KK Annotated Clean Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c1 ZINC000015936213 KK Annotated Clean COc1ccc(C)cc1Nc1n[n+](-c2ccccc2)c(-c2cc(OC)c(OC)cc2Br)s1 ZINC000015936851 KK Annotated Anodyne CCCn1c(CCNc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000015937199 KK Annotated Bother CCCn1c([C@@H]2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000015937224 KK Annotated Anodyne CCCn1c([C@H]2CCCN2c2nc(-c3ccc(C)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000015937225 KK Annotated Anodyne NC(=O)C[C@@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000015937450 KK Annotated Bother NC(=O)C[C@H](NC(=O)c1ccc(Br)cc1)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000015937452 KK Annotated Bother Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(NC3CCCCCCCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000015937518 KK Annotated Bother Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(NC3CCCCCCCCCCC3)c([N+](=O)[O-])c2)c1 ZINC000015937519 KK Annotated Bother Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3cccc(F)c3)N4)C[C@H]2C)c1 ZINC000015942426 KK Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3cccc(F)c3)N4)C[C@@H]2C)c1 ZINC000015942429 KK Annotated Anodyne Cc1c(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 ZINC000015955568 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000015962587 KK Annotated Anodyne C=CCCCCCCCCC/C=C(\C(=O)O[C@H]1C(=C)OC(=O)/C1=C\CCCCCCCCCC=C)[C@@H](O)C(C)=O ZINC000155000394 KK Annotated Mild C=C1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@@H]1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@H](O)C(C)=O ZINC000155000508 KK Annotated Mild C=C1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@H]1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@H](O)C(C)=O ZINC000155000629 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@@H]1C)OCO3 ZINC000155019820 KK Annotated Anodyne CC1(C)CCc2c(cc3oc4c(O)ccc(N[C@@H]5c6c(cc(O)c7c(=O)c8ccccc8[nH]c67)OC(C)(C)[C@@H]5O)c4c(=O)c3c2O)O1 ZINC000155091608 KK Annotated Bother CC1(C)CCc2c(cc3oc4c(O)ccc(N[C@@H]5c6c(cc(O)c7c(=O)c8cccc(O)c8[nH]c67)OC(C)(C)[C@@H]5O)c4c(=O)c3c2O)O1 ZINC000155092098 KK Annotated Bother CSc1[nH]c2cc(Br)cc(Br)c2c1-n1c(Br)c(SC)c2c(Br)cc(Br)cc21 ZINC000155248088 KK Annotated Anodyne CSc1[nH]c2cc(Br)cc(Br)c2c1-n1c(Br)c(SC)c2c(Br)c(Br)c(Br)cc21 ZINC000155248211 KK Annotated Anodyne CSc1[nH]c2cc(Br)c(Br)c(Br)c2c1-n1c(Br)c(SC)c2c(Br)cc(Br)cc21 ZINC000155248332 KK Annotated Anodyne CSc1[nH]c2cc(Br)c(Br)c(Br)c2c1-n1c(Br)c(SC)c2c(Br)c(Br)c(Br)cc21 ZINC000155248447 KK Annotated Anodyne O=C(OC(=C(Br)Br)C(Br)(Br)Br)C(Br)(Br)Br ZINC000155248644 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000155254673 KK Annotated Clean COc1cc(OC)c2c(c1)[C@@](O)(c1c3c(c(O)c4c(OC)cc(OC)cc14)-c1c(OC)cc4cc5c(c(O)c4c1OC(=O)C[C@](C)(O)C3)C(=O)C[C@](C)(O)C5)c1cc(C)cc(O)c1C2=O ZINC000155338816 KK Annotated Anodyne CC(C)[C@@H]1NC(=O)[C@@H](N)Cc2cc(Br)c3c(c2)[C@]24c5cccc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc1oc24 ZINC000155372088 KK Annotated Anodyne COC(=O)[C@H](c1ccc(O)cc1)c1c(-c2ccc(O)cc2)c2c3c([nH]c4c(OS(=O)(=O)O)cccc43)c(O)c(-c3ccc(O)cc3)c2n1CCc1ccc(O)cc1 ZINC000155400656 KK Annotated Bother O=C(c1ccc(O)cc1)c1c(-c2ccc(O)cc2)c2c3c([nH]c4c(OS(=O)(=O)O)cccc43)c(O)c(-c3ccc(O)cc3)c2n1CCc1ccc(O)cc1 ZINC000155400792 KK Annotated Bother COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCNC(=O)CCCCCCCCCCCC(C)C)cc1Br)[C@@H]2O ZINC000155654661 KK Annotated Anodyne C=C(C)[C@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000155806970 KK Annotated Mild CC(C)=CCC[C@]1(C)Oc2c(c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C3=O)c(O)c2C(=O)C(C)C)C[C@H]1O ZINC000155917936 KK Annotated Mild CC(C)=CCC[C@]1(C)Oc2c(CC3=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C3=O)c(O)c(C(=O)C(C)C)c(O)c2C[C@H]1O ZINC000155918455 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c(C(=O)c2ccccc2)c1O ZINC000155918938 KK Annotated Mild CC1(C)C=Cc2c(ccc(C(=O)[C@H]3C(c4c(O)cccc4O)=C[C@]4(C)C[C@H]3c3ccc(O)cc3O4)c2O)O1 ZINC000156109704 KK Annotated Anodyne Oc1ccc(/C=C2\c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]3c4cc(O)cc(O)c4-c4cc(O)ccc4[C@@H]3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000156179743 KK Annotated Anodyne C=C(C[C@](C)(C[C@@](C)(CC(C)(C)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1)c1cc2cc(OC)c(OC)cc2o1 ZINC000156182243 KK Annotated Mild O=C(N/C=C/c1ccc(O)c(O)c1)c1c(-c2cc(O)c(O)c(O)c2)c(-c2cc(O)c(O)c(O)c2)c(C(=O)N/C=C/c2ccc(O)c(O)c2)n1CCc1ccc(O)cc1 ZINC000156195346 KK Annotated Clean O=C(N/C=C/c1ccc(O)cc1)c1c(-c2cc(O)c(O)c(O)c2)c(-c2cc(O)c(O)c(O)c2)c(C(=O)N/C=C/c2ccc(O)c(O)c2)n1CCc1ccc(O)cc1 ZINC000156195494 KK Annotated Clean O=C(N/C=C/c1ccc(O)c(O)c1)c1c(-c2ccc(O)c(O)c2)c(-c2cc(O)c(O)c(O)c2)c(C(=O)N/C=C/c2ccc(O)c(O)c2)n1CCc1ccc(O)cc1 ZINC000156195630 KK Annotated Clean O=C(N/C=C/c1ccc(O)cc1)c1c(-c2cc(O)c(O)c(O)c2)c(-c2cc(O)c(O)c(O)c2)c(C(=O)N/C=C/c2ccc(O)cc2)n1CCc1ccc(O)cc1 ZINC000156195764 KK Annotated Clean O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000156259187 KK Annotated Reactive CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)c(Cc4c(O)c(C)c(O)c(C(=O)CCC)c4O)c(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000156330422 KK Annotated Mild COc1cc(C)cc2c1C(=O)c1c(O)cc(O)cc1[C@@H]2[C@H]1c2cc(O)cc(O)c2C(=O)c2c(OC)cc(C)cc21 ZINC000156382773 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2\C(=O)/C(=C\c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000156589396 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000156620173 KK Annotated Anodyne COc1c(O)cc(C[C@H]2c3c(cc(Br)c(OC)c3O)C[C@@H]3c4c(Br)c(O)c(OC)c(Br)c4CCN23)cc1Br ZINC000156629815 KK Annotated Clean COc1c(Br)cc2c(c1Br)N/C(=C1/Nc3cc(Br)ccc3C1=O)C2=O ZINC000156694886 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000156733137 KK Annotated Anodyne COc1c(O)cc([C@@]2([C@]3(c4cc(O)c(OC)c(O)c4)COc4c5c(cc(O)c4C3=O)OC(C)(C)C=C5)COc3c4c(cc(O)c3C2=O)OC(C)(C)C=C4)cc1O ZINC000157154131 KK Annotated Anodyne CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(OC)cc(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000157154881 KK Annotated Mild CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(Cc3c(O)c(C(=O)CCC)c(O)c(C)c3OC)c(O)c(C(=O)CCC)c2O)C1=O ZINC000157155138 KK Annotated Mild COc1ccc2c(=O)c3c(n(C)c2c1OC)OC(C)(C)[C@H]1[C@@H]2C[C@@](C)(C[C@@H]31)Oc1c2c(=O)n(C)c2c(OC)c(OC)ccc12 ZINC000157261649 KK Annotated Anodyne CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000157339798 KK Annotated Mild CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O ZINC000157339964 KK Annotated Mild CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)CC)C3=O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000157340116 KK Annotated Mild Oc1c(Cl)cc2cc1-c1cc(cc(Cl)c1O)CCc1c(cc(Cl)c(O)c1Cl)-c1cc(Cl)c(c(Cl)c1O)/C=C/2 ZINC000157353661 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(O)c(OC)c3c1[C@H](C2)N(C)CC3)O4 ZINC000157413347 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000157738475 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000157738777 KK Annotated Mild C[C@H](O)Cc1c(Br)c(O)c2c(=O)c3c(O)c(Br)c(O)c4c5c(O)c(Br)c(O)c6c(=O)c7c(O)c(Br)c(C[C@H](C)OS(=O)(=O)O)c8c1c2c(c34)c(c65)c78 ZINC000157745490 KK Annotated Bother COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCc1cc(Br)c(OCCCNC(=O)CCCCCCCCCCCC(C)C)c(Br)c1)=NO2 ZINC000157895195 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(Oc4cc(O)c(Oc5cc(O)c(Oc6cc(O)c(O)c(O)c6)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000158328696 KK Annotated Clean O=C(NCCOc1ccccc1Cl)c1cccc2c1C(=O)c1ccc(-c3ccc(F)cc3OCc3ccccc3)cc1S2(=O)=O ZINC000158636609 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000158647464 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158660523 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158660647 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158660756 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158660872 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158663186 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158663306 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158663429 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158663564 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158663710 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158663841 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158663980 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158664124 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158664284 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158664444 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158664595 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158664731 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)C1CCCCC1 ZINC000158664879 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)C1CCCCC1 ZINC000158665020 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)C1CCCCC1 ZINC000158665137 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)C1CCCCC1 ZINC000158665274 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158665585 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158665719 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158665845 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158665998 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158666182 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158666307 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158666446 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158666571 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158666893 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667028 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667151 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667292 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667461 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667590 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667691 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158667805 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158667955 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158668028 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158668147 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158668248 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158668393 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158668532 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158668659 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158668762 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158668935 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158669054 KK Annotated Anodyne CCCCNC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158669161 KK Annotated Anodyne CCCCNC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158669247 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158669414 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158669507 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158669609 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000158669737 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158670304 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158670445 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158670564 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000158670716 KK Annotated Anodyne C[C@@H]1C[C@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@H]3[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000158713601 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4F)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc3ccccc23)cc1 ZINC000159509669 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000159510306 KK Annotated Anodyne O=C1Nc2ccc(I)cc2C(=O)N([C@@H](C(=O)O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000016051339 KK Annotated Anodyne O=C(O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@H]1c1ccc(Cl)cc1 ZINC000016051341 KK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1S2(=O)=O ZINC000160013937 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)C1 ZINC000160312716 KK Annotated Anodyne O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21 ZINC000160456770 KK Annotated Reactive O=C1OC(=O)[C@@H]2[C@@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21 ZINC000160457028 KK Annotated Reactive Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000160520505 KK Annotated Anodyne in-man Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000160576165 KK Annotated Mild Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000160576292 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000160576430 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000160576556 KK Annotated Mild CCOC(=O)C1=C(C)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000160622582 KK Annotated Anodyne CCOC(=O)C1=C(C)N([C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000160622855 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000160675688 KK Annotated Mild COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)N[C@@H]3[C@@H](CCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)SC[C@@H]32)cc1 ZINC000160679414 KK Annotated Mild COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)N[C@@H]3[C@H]2CS[C@@H]3CCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)cc1 ZINC000160679548 KK Annotated Mild COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)N[C@H]3[C@@H](CCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)SC[C@@H]32)cc1 ZINC000160679690 KK Annotated Mild CCOC(=O)[C@H]1[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000160688341 KK Annotated Anodyne C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I ZINC000160696257 KK Annotated Reactive CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3[C@@H](C(=O)OCCCCCCCCC[C@H]4N=C(N)N5CCCC5=C4C(=O)OCCCCN=C(N)N)[C@@H](C)N=C(N1)N32 ZINC000160712017 KK Annotated Mild Clc1ccc(-c2c3ccc(n3)c(-c3ccc(Cl)cc3)c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3ccc([nH]3)c(-c3ccc(Cl)cc3)c3ccc2n3)cc1 ZINC000160783325 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000160850114 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000160851130 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000160852208 KK Annotated Mild CC(=O)O[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000160873452 KK Annotated Anodyne Cc1ccc(-c2cnc(N[C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000160874165 KK Annotated Anodyne c1ccc(C(N[C@H]2CCCC[C@@H]2NCCN[C@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937733 KK Annotated Anodyne c1ccc(C(N[C@@H]2CCCC[C@@H]2NCCN[C@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937851 KK Annotated Anodyne c1ccc(C(N[C@@H]2CCCC[C@@H]2NCCN[C@@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937978 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000160972834 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000160986296 KK Annotated Anodyne OS(O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(S(O)(O)O)cc3)c3ccc([nH]3)c(-c3ccc(S(O)(O)O)cc3)c3ccc([nH]3)c(-c3ccc(S(O)(O)O)cc3)c3ccc2n3)cc1 ZINC000161043014 KK Annotated Anodyne in-vitro CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000161079196 KK Annotated Clean Cc1cccc(-c2c3ccc(n3)c(-c3cccc(C)c3)c3ccc([nH]3)c(-c3cccc(C)c3)c3ccc([nH]3)c(-c3cccc(C)c3)c3ccc2n3)c1 ZINC000161106453 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)N(C)CC5)OCO4)CCN1C ZINC000161113029 KK Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000161127849 KK Annotated Anodyne O=C(OC[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000161127978 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)Cc1ccc2nc3ccc(CN(CCCCCCCC)CCCCCCCC)cc3nc2c1 ZINC000161175806 KK Annotated Mild O=C1NCCc2ccc(O)c(c2)Oc2ccc(cc2Br)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N\O ZINC000161179878 KK Annotated Mild O=C1NCCc2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N\O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N/O ZINC000161180457 KK Annotated Mild CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000161238746 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCC[C@@H](CCC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000161243815 KK Annotated Mild CC1(C)O[C@@H](CC[C@@](C)(O)[C@H]2CC[C@@H]3O[C@]4(C)CC[C@@H](Br)C(C)(C)O[C@H]4CC[C@@]3(C)O2)[C@@](C)(O)CC[C@H]1Br ZINC000161290395 KK Annotated Reactive CC(=O)NC[C@@H](CN(CC/C=C\C/C=C\CCCCCCCCCC/C=C\C/C=C\CCN(C[C@@H](CNC(C)=O)OC(C)=O)C(C)=O)C(C)=O)OC(C)=O ZINC000161353807 KK Annotated Anodyne CC(C)(C)c1ccc(-c2c3ccc(n3)c(-c3ccc(C(C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C(C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C(C)(C)C)cc3)c3ccc2n3)cc1 ZINC000161362230 KK Annotated Anodyne CCCCC1=C(Br)[C@@]2(OC1=O)[C@@H](Br)[C@H](Br)[C@@]21OC(=O)C([C@@H](CCC)OC(C)=O)=C1Br ZINC000161364837 KK Annotated Reactive C=C(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC)C[C@H]4[C@]3(C)CC[C@]12C ZINC000161368206 KK Annotated Mild C=C(C)[C@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=O)C=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC)C[C@H]4[C@]3(C)CC[C@]12C ZINC000161368343 KK Annotated Mild Cn1c(-c2ccc(/C=C/C=N/NC(=O)c3ccc(C(=O)N/N=C/C=C/c4ccc(-c5c[n+]6ccccc6n5C)cc4)cc3)cc2)c[n+]2ccccc12 ZINC000161381995 KK Annotated Reactive COc1ccc2c(c1OC)C(=O)O/C2=C\c1cc2c(cc1CCN(C)O[C@H]1c3cc4c(cc3[C@H]3[C@@H]1N(C)O[C@@]31OC(=O)c3c1ccc(OC)c3OC)OCO4)OCO2 ZINC000161396055 KK Annotated Anodyne O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@@H]1[C@@H](c1ccc(O)cc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2 ZINC000161397667 KK Annotated Anodyne C/C1=C\[C@H](OC(=O)c2ccccc2)[C@@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 ZINC000161400246 KK Annotated Reactive O=C1C=C2[C@@H]3c4c(cc(O)cc4[C@H]4c5c(O)cc6c(c5[C@@H]5[C@@H](c7ccc(O)cc7)[C@@H]1C(=O)[C@@]25[C@H]4c1ccc(O)cc1)[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O6)O[C@H]3c1ccc(O)cc1 ZINC000161400640 KK Annotated Mild C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000161404894 KK Annotated Reactive C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OC)c(CCC(=O)O)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000161410991 KK Annotated Bother CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@H]1Oc2c4ccc(c2O[C@@H]31)Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC4 ZINC000161444078 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000161446947 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c4c2O[C@H](c2ccc(O)cc2O)[C@H]4c2cc(O)cc(O)c2)O3)cc1 ZINC000161450380 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)O[C@@H]3c2ccc(O)cc2)cc1 ZINC000161456326 KK Annotated Anodyne CCCCCCCCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O ZINC000161471853 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000161473158 KK Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000161474442 KK Annotated Bother COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000161474585 KK Annotated Bother Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000161486787 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@@H]1[C@@H]([C@@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000161487268 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@@H]1[C@@H]([C@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000161487508 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000161492952 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O ZINC000161507566 KK Annotated Anodyne Oc1ccc([C@@H]2c3cc(O)ccc3[C@@H]3c4c(cc(O)c5c4[C@@H]2[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)O[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000161517758 KK Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(=O)/C=C/c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000161521291 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000161521559 KK Annotated Mild COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)N(C)CC5)OCO4)CCN1C ZINC000161527080 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc4c(c2)[C@@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O4)O3)cc1 ZINC000161529475 KK Annotated Anodyne C=C1[C@@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000161530093 KK Annotated Mild C=C1[C@@H](OC(=O)C[C@H](NC)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000161530611 KK Annotated Mild CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000161545979 KK Annotated Reactive CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@@H](O)[C@]2(C)CC[C@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)O2)O1 ZINC000161576942 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCC(=O)Oc1cc(C)c(O)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)c1 ZINC000161585069 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@@]21COC(C)=O)C(C)C ZINC000161588109 KK Annotated Mild CCCCOCCO[C@H]1c2cc(C(C)C)c(OC(C)=O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C ZINC000161590519 KK Annotated Anodyne CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@@H](n2cnc3c(=O)nc[nH]c32)O[C@H]1COC(=O)NCCCCCCNC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000161611502 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc4c(c3O)C(=O)[C@@]3(CC=C(C)C)Oc5cc(O)ccc5[C@@]3(O)O4)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000161615577 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc4c(c3O)C(=O)[C@@]3(CC=C(C)C)Oc5cc(O)ccc5[C@@]3(O)O4)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000161616054 KK Annotated Anodyne CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)O[C@@H]1COC(=O)c2csc(n2)[C@H](C(C)C)OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)OC(C)=O ZINC000161619937 KK Annotated Anodyne CC1=CC[C@@H]2[C@](C)(CCC[C@]2(C)CC[C@H]2[C@@](C)(O)CC[C@H]3C(C)(C)CCC[C@@]32C)[C@H]1Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000161663941 KK Annotated Anodyne C=C1CCC[C@@H]2[C@@](C)(Cc3cc(OS(=O)(=O)O)ccc3OS(=O)(=O)O)[C@@H](C)CC[C@]12CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@@H]1C ZINC000161664208 KK Annotated Mild CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000161719361 KK Annotated Reactive CCCCCCCCCCCCCCC[C@@H](O)CC(=O)OC/C=C(\CO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O ZINC000161742835 KK Annotated Mild C#C/C=C\[C@@H](O)CCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000161775059 KK Annotated Mild CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2cc(Cl)c(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000161785666 KK Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000161797127 KK Annotated Anodyne CC1(C)O[C@@H](CC[C@@](C)(O)[C@H]2CC[C@@H]3O[C@]4(C)CC[C@@H](Br)C(C)(C)O[C@H]4CC[C@@]3(C)O2)[C@](C)(O)CC[C@H]1Br ZINC000161813138 KK Annotated Reactive Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@H]2c2cc(O)cc(O)c2)[C@@H]2[C@H](c3ccc(O)cc3)[C@H]4c3c4c(cc(O)c3[C@H]2c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000161818363 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H]5c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000161818709 KK Annotated Anodyne C/C1=C\[C@H](OC(=O)c2cccnc2)[C@@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 ZINC000161845378 KK Annotated Reactive Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H]4COC(C)(C)N4C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000161851838 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H]4COC(C)(C)N4C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000161851975 KK Annotated Clean CC(=O)NC[C@@H](CN(CCCCCCCCCCCCCCCCCCCCCCCCN(C[C@@H](CNC(C)=O)OC(C)=O)C(C)=O)C(C)=O)OC(C)=O ZINC000161856899 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2[nH]c2c(-c4cc5c(cc4O)[nH]c4c6c(c(C)cc45)O[C@](C)(CCC=C(C)C)C=C6)c(O)c(C)cc23)O1 ZINC000161860076 KK Annotated Anodyne CCCCOCCO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]21C ZINC000161870143 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1C/C=C(/C)CC/C=C(\COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)CC/C=C(\C)CC1 ZINC000161920365 KK Annotated Anodyne CC(C)C(=O)c1c(O)c2c(c3c1O[C@]1(O)[C@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000161927939 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)OC)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000161928648 KK Annotated Anodyne CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000161934300 KK Annotated Mild C/C1=C/[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)C1 ZINC000161938670 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)cc1OC ZINC000161968702 KK Annotated Bother CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3[C@H](C(=O)OCCCCCCCCC[C@@H]4N=C(N)N5CCCC5=C4C(=O)OCCCCN=C(N)N)[C@@H](C)N=C(N1)N32 ZINC000161990470 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)c1O ZINC000162000754 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)c1O ZINC000162000888 KK Annotated Anodyne in-man CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(Oc3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)cc(OC(C)=O)c3c2Oc2c(OC(C)=O)cc(OC(C)=O)cc2O3)c1 ZINC000162001971 KK Annotated Anodyne C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000162043504 KK Annotated Mild CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000162055360 KK Annotated Anodyne COc1cc2c(c(O)c1/C=C\C(C)C)C(=O)c1c(O)cc(C)cc1[C@@H]2[C@@H]1c2cc(C)cc(O)c2C(=O)c2c1cc(OC)c(/C=C\C(C)C)c2O ZINC000162099060 KK Annotated Anodyne Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc(O)c3)[C@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000162120818 KK Annotated Anodyne COc1c(O)c(C)c2c(c1OC)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C=C2 ZINC000162126040 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)c(C)c(C)c2O1 ZINC000162126177 KK Annotated Anodyne CCCCC1=C(Br)[C@@]2(OC1=O)[C@@H](Br)[C@H](Br)[C@@]21OC(=O)C(CCCC)=C1Br ZINC000162127686 KK Annotated Reactive O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)[C@@H](O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O ZINC000162153208 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000162162497 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000162165391 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000162166892 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162168274 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162169268 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000162169861 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000162172687 KK Annotated Anodyne CC1=C(CCC(=O)O)C2=N[C@@]1(C)CC1=C(CCC(=O)O)[C@](C)(CC(=O)O)/C(=C(\C)C3=N[C@@](C)([C@@H]4N=C([C@H]2C)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)N1 ZINC000162182694 KK Annotated Anodyne COc1ccc(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1 ZINC000162203555 KK Annotated Bother COc1ccc(/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1Cl ZINC000162203695 KK Annotated Anodyne COc1ccc(C[C@@]2(c3c(OC)cc(OC)c4c3O[C@@](Cc3ccc(OC)cc3)(OC)C4=O)Oc3cc(OC)cc(OC)c3C2=O)cc1 ZINC000162240370 KK Annotated Anodyne C[N+](C)(C)CC(C[N+](C)(C)C)Oc1ccc2c(c1)-c1nc3nc(nc4[nH]c(nc5[nH]c(nc-2n1)c1ccccc51)c1ccccc41)-c1ccccc1-3 ZINC000162252134 KK Annotated Bother in-vivo C[C@@H]1CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@H](C)CCC1 ZINC000162261005 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@@H]3[C@@H](c4ccc(OC)cc4)Oc4c(ccc(OC)c4OC)[C@H]3OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000162285631 KK Annotated Anodyne CC[C@H](C)[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000162292442 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]5[C@H](c2cc(O)cc(O)c2)[C@H]4c2ccc(O)cc2)cc1 ZINC000162295725 KK Annotated Anodyne Cn1c2c3c(ccc2c(=O)c2c(O)cc4c(c21)C=CC(C)(C)O4)O[C@@](C)(/C=C/c1c(O)cc(O)c2c(=O)c4cccc(O)c4n(C)c12)CO3 ZINC000162298288 KK Annotated Bother O=C(CCCC#CC#CCCCCCCCCCCCc1ccco1)OCCCCCCCCCCCCCC#CC#CCCCCc1ccco1 ZINC000162304141 KK Annotated Mild CCCC(=O)N[C@@H](C(C)C)[C@@H](CC(=O)OC[C@@H](O)c1nc(C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@@H](C)C(=O)O[C@@H](c2nc(C(=O)OC)cs2)[C@@](C)(O)CC)cs1)OC(C)=O ZINC000162314543 KK Annotated Anodyne C[C@@]12C(=O)n3c(Br)nc4c3[C@@]3(C[C@H]1Br)N2c1cc(Br)cc(Br)c1[C@@]31CC(=O)N1C=C4Br ZINC000162319518 KK Annotated Reactive CCn1cc[n+](CC)c1-c1c2ccc(n2)c(-c2n(CC)cc[n+]2CC)c2ccc([nH]2)c(-c2n(CC)cc[n+]2CC)c2ccc([nH]2)c(-c2n(CC)cc[n+]2CC)c2ccc1n2 ZINC000162379659 KK Annotated Anodyne investigational COC(=O)[C@H](Cc1cnc(C(c2ccccc2)(c2ccccc2)c2ccccc2)[nH]1)NCc1cc(N(C)C)cc(CN[C@@H](Cc2cnc(C(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)C(=O)OC)n1 ZINC000162384723 KK Annotated Anodyne CN(C)c1cc(CN[C@@H](Cc2cnc(C(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)C(=O)O)nc(CN[C@H](Cc2cnc(C(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]2)C(=O)O)c1 ZINC000162384983 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]([C@@H](O)c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@@H]4c2ccc(O)cc2)cc1 ZINC000162412686 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000162425114 KK Annotated Clean CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CCC6=C(C(=O)OCCCCN=C(N)N)[C@@H](C)N=C(N4)N65)[C@@H](C)N=C(N1)N32 ZINC000162427622 KK Annotated Mild C=C/C(C)=C\C[C@@]1(C)[C@@H](C)[C@H](OC(=O)CCCCCCCCC)[C@@H](OC(C)=O)[C@]23C(=C[C@H](O)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000162429299 KK Annotated Mild CC(C)(O)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3c(cc4ccoc24)C=C[C@]2(O3)O[C@H](COc3c4occc4cc4ccc(=O)oc34)C(C)(C)O2)C(C)(C)O1 ZINC000162447808 KK Annotated Anodyne C=CC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccccc2OCCOC)CC1 ZINC000162456177 KK Annotated Mild CCCCCCCCCCN(CCCCCCCCCC)[C@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000162466591 KK Annotated Mild CC1=C[C@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@H](C(=O)c2ccc(O)c(CCC(C)(C)O)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000162471832 KK Annotated Anodyne CC(=O)Oc1cc(/C=C/c2ccc3c(c2)O[C@H](c2cc(OC(C)=O)cc(OC(C)=O)c2)[C@@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)O3)cc(OC(C)=O)c1 ZINC000162478925 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc4c(c(O)c3[C@@H]2c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)Cc2cc(O)cc3c2[C@H]4[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000162480342 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000162488526 KK Annotated Clean CCCCC1=C(Br)[C@]2(OC1=O)C(Br)(Br)[C@]1(CCCC)C(=O)OC(=C(Br)Br)[C@@]12Br ZINC000162498594 KK Annotated Anodyne CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)O[C@@H]1COC(=O)c2csc(n2)[C@H](C(C)(C)O)OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)OC(C)=O ZINC000162507821 KK Annotated Anodyne COc1ccc(-c2c3c4cc(OC)c(OC(C)=O)cc4oc(=O)c3n3ccc4c(OC(C)=O)c(OC)c(OC)cc4c23)cc1OC(C)=O ZINC000162531197 KK Annotated Bother Oc1ccc([C@@H]2Oc3cc(O)c4c(c3[C@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]2[C@@H]4c2ccc(O)cc2)cc1 ZINC000162539061 KK Annotated Anodyne CC1(C)O[C@@H](CC[C@@](C)(O)[C@H]2CC[C@@H]3O[C@]4(C)CC[C@@H](Br)C(C)(C)O[C@@H]4CC[C@@]3(C)O2)[C@@](C)(O)CC[C@H]1Br ZINC000162546232 KK Annotated Reactive COc1ccc([C@H]2Oc3c(cc4c(c3OC)O[C@@H]3c5c-4cc(OC)c(OC)c5O[C@H](c4ccc(OC)cc4)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000162546474 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(cc4c(c3OC)O[C@H]3c5c-4cc(OC)c(OC)c5O[C@H](c4ccc(OC)cc4)[C@H]3OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000162546575 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(OC)c(OC)cc4c3[C@H](Oc3c-4cc4c(c3OC)O[C@H](c3ccc(OC)cc3)[C@H](OC(C)=O)[C@@H]4OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000162546702 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(OC)c(OC)cc4c3[C@H](Oc3c-4cc4c(c3OC)O[C@H](c3ccc(OC)cc3)[C@@H](OC(C)=O)[C@@H]4OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000162546822 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(OC)c(OC)cc4c3[C@@H](O[C@@H]3[C@@H]4c4ccc(OC)c(OC)c4O[C@@H]3c3ccc(OC)cc3)[C@@H]2OC(C)=O)cc1 ZINC000162546975 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC[C@@H](CCC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000162559561 KK Annotated Mild CCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)c1c(O)c2 ZINC000162563634 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000162594101 KK Annotated Anodyne O=C(Nc1cc(C(=O)N2CC=C(c3ccccc3)CC2)ccc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1cccc(C(F)(F)F)c1 ZINC000162612205 KK Annotated Anodyne C[C@@H]1N[C@H](CCCCCCCCCCC2=C[C@@H](CCCCCCCCCC[C@@H]3CC[C@H](O)[C@H](C)N3)[C@@H]3CCC(=O)N3C2)CC[C@@H]1O ZINC000162617409 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2ccc(O)c([C@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)c1O ZINC000162619747 KK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000162639339 KK Annotated Anodyne COc1ccc(Br)c(C(=O)Nc2cc(C(=O)Nc3ccccc3F)ccc2N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1 ZINC000162640088 KK Annotated Anodyne CC(=O)OC/C1=C/[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000162642839 KK Annotated Anodyne CCS[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000162655350 KK Annotated Anodyne CCCCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2\C=CC=CC2=O)N1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000162661216 KK Annotated Mild in-vivo CCCCCCCCCCCCC[C@@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2\C=CC=CC2=O)N1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000162661343 KK Annotated Mild in-vivo CCCCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2\C=CC=CC2=O)N1)[C@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000162661477 KK Annotated Mild in-vivo CCCCCCCCCCCCC[C@@H](OC(=O)[C@@H](CCCCN(O)C(C)=O)NC(=O)C1=CO/C(=C2\C=CC=CC2=O)N1)[C@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000162661610 KK Annotated Mild in-vivo C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000162665646 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O[C@@]3(c4ccc(O)c(CCC(C)(C)O)c4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000162689559 KK Annotated Anodyne COc1c(-c2cc(-c3cc(-c4c(O)cc5c(c4OC)[C@@H](C)N[C@@H](C)C5)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c(O)cc2c1[C@@H](C)N[C@@H](C)C2 ZINC000162726081 KK Annotated Anodyne CCC(=O)O[C@@H](/C(C)=C/[C@H](C)c1oc([C@@H](C)[C@H](CC)OC(C)=O)c(C)c(=O)c1C)[C@H](C)[C@@H](OC(=O)CC)[C@@H](C)c1oc(CC)c(C)c(=O)c1C ZINC000162736377 KK Annotated Anodyne O=S(=O)(O)OC(=C\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)/C(=C\c1cc(Br)c2oc(-c3ccc(O)c(Br)c3)cc2c1)OS(=O)(=O)O ZINC000162760361 KK Annotated Anodyne COc1c(O)cc(/C=C/c2cc(O)cc3c2[C@@]2(C(=O)O3)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)c2c1OC(=O)[C@@]21c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000162792393 KK Annotated Anodyne COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc([C@@H](O)CNC(=O)CCCCCCCCCCCC(C)C)cc1Br)[C@@H]2O ZINC000162818671 KK Annotated Anodyne CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@]2(C)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000162819806 KK Annotated Anodyne CC(C)CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCC(C)C ZINC000162835517 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)[C@H](C)CNC(=O)[C@@H](Cc2cc(Cl)c(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000162842051 KK Annotated Anodyne O=Cc1c(O)c2c3c4c1O[C@H](c1ccc(O)cc1)[C@H]4c1cc(O)cc(O)c1[C@H](c1ccc(O)cc1)[C@@H]3[C@@H](c1ccc(O)cc1)[C@@H]2c1cc(O)cc2c1[C@H](c1cc(O)cc(O)c1)[C@@H](c1ccc(O)cc1)O2 ZINC000162850682 KK Annotated Anodyne COc1c(Cc2cc(Cc3cc(Cc4cc(C)ccc4O)ccc3O)ccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000162890362 KK Annotated Anodyne C=C(C)[C@H]1CCC2=C[C@@H](C[C@@](C)(O)[C@H](OC(=O)c3cc4oc3C[C@@H](C(=C)C)CCC3=C[C@@H](C[C@]5(C)O[C@@H]45)OC3=O)c3cc(C(=O)O)c(o3)C1)OC2=O ZINC000162895812 KK Annotated Mild C=C(C)[C@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000162963922 KK Annotated Mild CCC(=O)N[C@@H](CO)COc1ccc([C@H](CNC(=O)[C@@H](O)CCC[C@H](O)[C@H]2O[C@H]2CCCCCCC[C@H](O)CCCCCCCCCCCCOC[C@@H](N)CO)OC(C)=O)cc1 ZINC000162988981 KK Annotated Anodyne N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000163031463 KK Annotated Reactive CCC[C@@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)OC(C)=O ZINC000163120252 KK Annotated Anodyne CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)OC[C@@H](O)c1nc(C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@H](c2nc(C(=O)OC)cs2)C(C)(C)O)cs1)OC(C)=O ZINC000163125273 KK Annotated Anodyne CC1=C(Cc2cc(OS(=O)(=O)O)ccc2OS(=O)(=O)O)[C@]2(C)CCC[C@@](C)(CC[C@@]3(O)[C@H](C)CC[C@@H]4OC(C)(C)CCC[C@@]43C)[C@@H]2CC1 ZINC000163131253 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(O)c2c(O)c3c(cc2c1)[C@@H](c1c(C)cc(O)c2c1C(=O)c1cc(O)cc(O)c1C2=O)[C@](C)(O)CC3=O ZINC000163134923 KK Annotated Clean CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c1cc(O)c(CC=C(C)C)c3O)c1cc(C)cc(O)c1C2=O ZINC000163139043 KK Annotated Anodyne CC(=O)Oc1cc2c(cc1C(C)C)[C@H](OC(C)=O)[C@H](Oc1cc3c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@]31C)[C@H]1C(C)(C)CCC[C@]21C ZINC000163142965 KK Annotated Anodyne O=C1C=C2O[C@H](c3ccc(O)cc3)[C@H]3c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4)[C@H]4C(=C1[C@@H](c1cc(O)cc5c1[C@H](c1cc(O)cc(O)c1)[C@@H](c1ccc(O)cc1)O5)[C@@H]4c1ccc(O)cc1)[C@]23O ZINC000163153769 KK Annotated Mild O=C(O)Cc1cc(-c2ccc(C(=O)O)s2)sc1-c1ccc(-c2sc(-c3ccc(C(=O)O)s3)cc2CC(=O)O)s1 ZINC000163156308 KK Annotated Anodyne in-vitro CCCCCC/C=C\CCCCCCCc1cc(O)cc(O)c1C1=C(CCCCCCC/C=C\CCCCCCCC)C(=O)C(OC)=CC1=O ZINC000163204493 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCCCCCC)C(=O)C=C(OC)C1=O ZINC000163204600 KK Annotated Mild FC(F)(F)c1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000163269979 KK Annotated Anodyne CC(C)[C@@H]1NC(=O)[C@@H](N)Cc2cc(Br)c(O)c(c2)[C@]23c4cccc(c4O[C@H]2O)-c2cccc4[nH]c(Cl)c(c24)-c2oc(nc2Cl)-c2nc1oc23 ZINC000163273620 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000163276395 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000163276575 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000163278421 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000163279503 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000163280562 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4c2cc(-c3cc4c5c(cc(O)c4o3)O[C@H](c3ccc(O)cc3)[C@H]5c3cc(O)cc(O)c3)ccc2O)cc1 ZINC000163281551 KK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000163281789 KK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000163282445 KK Annotated Anodyne CCCC(=O)N[C@@H](CC(C)C)[C@@H](CC(=O)OC[C@@H](O)c1nc(C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@H](c2nc(C(=O)OC)cs2)C(C)C)cs1)OC(C)=O ZINC000163291082 KK Annotated Anodyne Oc1ccc(/C=C\c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000163293990 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000163301107 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)/C=C(/c2cc(O)ccc2O)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000163301282 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCN2CCCCC2)cc1Br ZINC000163301304 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCc2ccccn2)cc1Br ZINC000163301778 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000163302100 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000163302226 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21)C(F)(F)F ZINC000163303344 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000163306868 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000163307842 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000163307998 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000163308126 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cc(Br)c(O)c(Br)c2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000163308765 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]4[C@@H]2c3cc(O)cc4oc5c6ccc(O)cc6c6c(O)cc(O)c(c6c5c34)[C@H]2c2ccc(O)cc2)cc1 ZINC000163314617 KK Annotated Bother O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000163316525 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000163316728 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000163323699 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCCOC(=O)C(F)(F)F ZINC000163324164 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000163326341 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000163333370 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000163334400 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000163334512 KK Annotated Anodyne CCCCCCCCCCCCCCCCC1=C[C@@H](C(=O)O)[C@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@H]1C(=O)OC ZINC000163338486 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)NCc2ccc(C(=O)NCc3cccc(OC)c3OC)cc2)cs1 ZINC000163342585 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000163345323 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000163345470 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)c1ccc(CNC(=O)c2csc(N(C(=O)NCc3ccccc3)c3ccccc3OC)n2)cc1 ZINC000163348612 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000163352016 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@@H]1c2c3c(cc(O)c2[C@H](c2ccc(O)cc2)[C@H]1c1cc(O)cc(O)c1)O[C@H](c1ccc(O)cc1)[C@H]3c1cc(O)cc2c1[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O2 ZINC000163358846 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000163364853 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCC3=CCCCC3)co2)cc1 ZINC000163364939 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000163365351 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000163365463 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCCOCCCC)co2)cc1 ZINC000163365902 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCCOCCCC)co2)cc1 ZINC000163366041 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCN(CCCC)CCCC)co2)cc1 ZINC000163366687 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCCN(CCCC)CCCC)co2)cc1 ZINC000163366804 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 ZINC000163366941 KK Annotated Mild CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c3ccc(C)cc3)C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 ZINC000163367079 KK Annotated Mild O=C1CCCN1CCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000163368075 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000163368219 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000163368766 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000163368894 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000163369043 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000163369174 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 ZINC000163370738 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 ZINC000163370868 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000163376697 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000163376803 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)cc1Br ZINC000163376953 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000163377118 KK Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000163377271 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000163377437 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000163377589 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000163377764 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000163377893 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000163378187 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000163378327 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163378742 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163378882 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000163379292 KK Annotated Mild O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000163379307 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000163379413 KK Annotated Mild CCCCOCCCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163379806 KK Annotated Mild CCCCOCCCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163379918 KK Annotated Mild CCCCN(CCCC)CCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163380527 KK Annotated Mild CCCCN(CCCC)CCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163380641 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163380758 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163380884 KK Annotated Mild Oc1c(Br)cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCN2CCCCC2)cc1Br ZINC000163384131 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCCC2=CCCCC2)cs1 ZINC000163384302 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2C[C@@H]2CCCO2)cc1Br ZINC000163384306 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2C[C@H]2CCCO2)cc1Br ZINC000163384425 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCCC2=CCCCC2)cs1 ZINC000163384434 KK Annotated Anodyne Oc1c(Br)cc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)cc1Br ZINC000163384564 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000163384708 KK Annotated Anodyne CC(=O)NCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000163384839 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000163385021 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000163385134 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000163385287 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000163385418 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000163385704 KK Annotated Anodyne O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000163385851 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163386244 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163386349 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000163386586 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000163387327 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163387363 KK Annotated Mild CCCCOCCOC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163387492 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCCC2=CCCCC2)cc1 ZINC000163388975 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCCC2=CCCCC2)cc1 ZINC000163389109 KK Annotated Mild COc1cccc(CNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000163389521 KK Annotated Mild COc1cccc(CNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1OC ZINC000163389637 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000163389761 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000163389881 KK Annotated Mild CCCCOCCCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163390016 KK Annotated Mild CCCCOCCCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163390126 KK Annotated Mild CCCCN(CCCC)CCNC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163390744 KK Annotated Mild CCCCN(CCCC)CCNC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163390855 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000163390977 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000163391079 KK Annotated Mild NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1ccccc1F ZINC000163391593 KK Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCC2CCCCC2)cc1 ZINC000163392166 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)NCC2CCCCC2)cc1 ZINC000163392263 KK Annotated Mild O=C(OCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000163395046 KK Annotated Anodyne CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000163395302 KK Annotated Mild CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000163395393 KK Annotated Mild NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2CCc1ccccc1F)C(N)=O ZINC000163395476 KK Annotated Mild CCCCOCCOC(=O)[C@@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163396033 KK Annotated Mild NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2CCc1ccccc1F ZINC000163396115 KK Annotated Anodyne CCCCOCCOC(=O)[C@H](CCC/N=C(\N)NS(=O)(=O)c1ccc(C)cc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163396149 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCCc2ccccn2)cc1 ZINC000163396314 KK Annotated Mild NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2CCc1ccccc1F ZINC000163396388 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCCc2ccccn2)cc1 ZINC000163396448 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163396602 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163396728 KK Annotated Mild NCCCC[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)n2Cc1ccccc1C(F)(F)F)C(N)=O ZINC000163398931 KK Annotated Mild NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1C(F)(F)F ZINC000163400475 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc2c(c1)nc(Nc1ccc(I)cc1)n2Cc1ccccc1C(F)(F)F ZINC000163400711 KK Annotated Anodyne COc1ccc(Nc2nc3cc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c(OC)c1 ZINC000163401123 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCCC2CCCCC2)cs1 ZINC000163402885 KK Annotated Mild CCOc1ccccc1-c1nc(C(=O)N[C@H](CCC/N=C(\N)NS(=O)(=O)c2ccc(C)cc2)C(=O)OCCC2CCCCC2)cs1 ZINC000163402996 KK Annotated Mild C=CCCCCCCC[C@@H]1O[C@H]1C#CC#CCCC(=O)OCC(COC(=O)CCC#CC#C[C@@H]1O[C@H]1CCCCCCCC=C)OC(=O)CCC#CC#C[C@@H]1O[C@H]1CCCCCCCC=C ZINC000163403448 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCC2CCCCC2)cs1 ZINC000163411244 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OCCC2CCCCC2)cs1 ZINC000163411366 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000163411501 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000163411642 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163411797 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163411917 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000163412078 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000163412185 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163412562 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163412693 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCCN2CCCC2)cs1 ZINC000163412807 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCCN2CCCC2)cs1 ZINC000163412923 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000163413056 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000163413185 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163413319 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163413433 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163413559 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163413674 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000163414024 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000163414142 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000163414257 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000163414372 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)N2CCCNCC2)cs1 ZINC000163414500 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)N2CCCNCC2)cs1 ZINC000163414625 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163416208 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163416345 KK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2O)O[C@H]3c2ccc3c(c2)[C@@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000163416981 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163418143 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163418247 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163418636 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@@H]1CCCCNC1=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163418751 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163418875 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)N[C@H]1CCCCNC1=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163419009 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc4c(c2O)[C@H](c2cc(O)c5c(c2)O[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000163422431 KK Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163423469 KK Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163423588 KK Annotated Mild COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000163423734 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN(C)C)cs1 ZINC000163423849 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000163423980 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000163424105 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000163424248 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000163424362 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163424516 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163424639 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163425143 KK Annotated Anodyne CCCCOCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163425239 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000163425382 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCc2ccccn2)cs1 ZINC000163425476 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCC2CCCCC2)cs1 ZINC000163425610 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCC2CCCCC2)cs1 ZINC000163425705 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163426990 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163427096 KK Annotated Anodyne C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCC(C)(C)C/C=C\c1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000163434702 KK Annotated Mild Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@@H](c4ccc(O)cc4)O5)c3c2-c2cc(O)cc(O)c2)cc1 ZINC000163436603 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc5c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000163441846 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000163442744 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@@H]2CCCCNC2=O)cs1 ZINC000163442852 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000163442946 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)N[C@H]2CCCCNC2=O)cs1 ZINC000163443063 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000163445416 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000163445537 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163445670 KK Annotated Anodyne CCCCOC(=O)COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163445769 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCCC2CCCCC2)cs1 ZINC000163447156 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCCC2CCCCC2)cs1 ZINC000163447265 KK Annotated Anodyne O=C(NCCCC[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCOCCN1CCNCC1)OCc1ccccc1 ZINC000163451920 KK Annotated Anodyne O=C(NCCCC[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCOCCN1CCNCC1)OCc1ccccc1 ZINC000163452040 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@](C)(OC(C)=O)[C@H]2CC[C@H]2[C@]3(C)CC[C@H](OC(C)=O)C(C)(C)O[C@H]3CC[C@@]2(C)OC(C)=O)OC1(C)C ZINC000163454008 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000163468873 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCc2ccccc2N)cs1 ZINC000163468998 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163469169 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000163469292 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000163469412 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCc2cccc(OC)c2OC)cs1 ZINC000163469549 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000163469962 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000163470080 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163470263 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCc2cccc(OC(F)(F)F)c2)cs1 ZINC000163470381 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000163471957 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCC(C)(C)N(C)C)cs1 ZINC000163472055 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCCCN2CCCC2)cs1 ZINC000163472179 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCCN2CCCC2)cs1 ZINC000163472254 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000163472381 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCCCN(C)C)cs1 ZINC000163472469 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163472594 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163472691 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163473678 KK Annotated Anodyne CCCCOCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000163473765 KK Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000163514398 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000163514509 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163517340 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163517458 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)c2coc(-c3ccc4ccccc4c3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163532516 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@@H](NC(=O)c2coc(-c3ccc4ccccc4c3)n2)C(=O)OCCC2CCCCC2)cc1 ZINC000163532628 KK Annotated Mild CN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F ZINC000163580458 KK Annotated Anodyne in-vitro COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000163586774 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163600897 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163601028 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163602518 KK Annotated Anodyne COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 ZINC000163602647 KK Annotated Anodyne CN(C)CCOCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163603647 KK Annotated Anodyne CN(C)CCOCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000163603768 KK Annotated Anodyne CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000163630390 KK Annotated Reactive O=C(O[C@H]1C=CC2(Oc3cccc4cccc(c34)O2)[C@H]2[C@H]1[C@@H](OC(=O)c1ccc(Br)cc1)CC[C@H]2O)c1ccc(Br)cc1 ZINC000163645636 KK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000163693068 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000163694752 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000163694834 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000163694934 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000163694978 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000163695565 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000163695663 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000163695780 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000163695892 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000163696250 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000163696331 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000163696408 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1OC ZINC000163696499 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000163696655 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000163696733 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000163696815 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000163696892 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000163697034 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000163697122 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000163697203 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000163697303 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163698579 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163698707 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163698810 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163698923 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000163700240 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000163700344 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000163700460 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1OC ZINC000163700574 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163700706 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163700822 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163700951 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163701084 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163701202 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163701327 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163701452 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163701569 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163713182 KK Annotated Anodyne COc1cc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163713314 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163713429 KK Annotated Anodyne COc1cc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)cc(OC)c1OC ZINC000163713548 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163716038 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163716149 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163716264 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163716401 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163717857 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163717987 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163718119 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163718247 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163719430 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163719543 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163719641 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000163719758 KK Annotated Anodyne O=[N+]([O-])c1cccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000163727131 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000163728010 KK Annotated Bother CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000163744043 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000163744182 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000163744314 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000163744449 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000163745465 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000163745708 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000163749225 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CCc4ccc(OC)c(OC)c4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000163750331 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC ZINC000163750504 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000163751423 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1OC ZINC000163751577 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000163752124 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000163752285 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1 ZINC000163753011 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1 ZINC000163753170 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000163753528 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000163753884 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(OC(F)(F)F)cc4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000163754660 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000163754907 KK Annotated Anodyne COc1cc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000163756042 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000163756536 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000163756640 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000163756744 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000163756849 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000163756987 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000163757102 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000163757201 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000163757290 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000163757943 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000163758064 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000163758189 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000163758298 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163758977 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163759089 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163759179 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163759285 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000163759396 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000163759497 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000163759590 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000163759702 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000163759976 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000163760056 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000163760154 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000163760249 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000163760407 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000163760500 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000163760597 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000163760699 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163760823 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163760919 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163761027 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1OC ZINC000163761134 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000163761282 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000163761379 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000163761476 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000163761566 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000163761696 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000163761779 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000163761880 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000163761976 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163762660 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163762742 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163762865 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163762943 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000163764061 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000163764184 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000163764288 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c(OC)c1 ZINC000163764417 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000163764615 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000163764726 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000163764841 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000163764949 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163765073 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163765176 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163765315 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000163765424 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c1OC ZINC000163765548 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c1OC ZINC000163765673 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c1OC ZINC000163765793 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)c1OC ZINC000163765910 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163766460 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163766558 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163766649 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163766777 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000163766936 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000163767047 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000163767158 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)cc1 ZINC000163767288 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000163782544 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000163782657 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000163782761 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000163782899 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163783010 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163783133 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163783251 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000163783373 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000163783510 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000163783635 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000163783751 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)c1OC ZINC000163783870 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163784494 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163784615 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163784742 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc(OC)c1 ZINC000163784860 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163785705 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163785834 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163785950 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163786076 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163786566 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163786686 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163786800 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000163786919 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000163807687 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000163807777 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000163807857 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)ccc1OC ZINC000163807951 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000163820661 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000163820781 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000163820890 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000163821023 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000163821316 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000163821434 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000163821563 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000163821696 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CC[C@@H](O)C3)cn2)CN1c1nc(N2CCC(O)CC2)ncc1Cl ZINC000163821959 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000163821991 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000163822108 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000163822232 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000163822342 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000163822661 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000163822790 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000163822901 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000163823014 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163823315 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163823437 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163823560 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000163823692 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)ccc1OC ZINC000163825670 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)ccc1OC ZINC000163825801 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)ccc1OC ZINC000163825917 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)ccc1OC ZINC000163826065 KK Annotated Anodyne CN(C)c1ccc2c(c1)C(C)(C)c1cc3c(cc1=C2)CCC[N+]=3CCCC(=O)NCCCCCCNCC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1 ZINC000163828807 KK Annotated Clean CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)ccc1OC ZINC000163840708 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)ccc1OC ZINC000163840829 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)ccc1OC ZINC000163840946 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)ccc1OC ZINC000163841050 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163843724 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163843816 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163843946 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163844084 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000163844373 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000163844481 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000163844581 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cc(OC)c(OC)cc2Cl)ccc1OC ZINC000163844660 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163845237 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163845378 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163845446 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000163845528 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)ccc1OC ZINC000163846178 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)ccc1OC ZINC000163846276 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)ccc1OC ZINC000163846351 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCCc2ccc(OC)c(OC)c2)ccc1OC ZINC000163846436 KK Annotated Anodyne CCCCCCCCC[C@H]1C[C@H]2CC[C@@H]3[C@H](C(=O)O[C@H](C)CCCCC[C@H]4C[C@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@H](C)N=C(N1)N23 ZINC000163850884 KK Annotated Mild COc1ccc(Cn2cc(-c3ccnc(Nc4cc(C)cc(-c5cnc(C6(O)CCC(C(=O)OC(C)(C)C)CC6)s5)c4)n3)nn2)cc1 ZINC000163886918 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cc(OC)c4ccccc4n3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000163928087 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CSC(=S)c3ccccc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000163932402 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CSC(=S)c3ccccc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000163932721 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCOc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163933533 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163937667 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)c3cc(-c4ccccc4)nc4ccccc34)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000163938039 KK Annotated Anodyne COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000163939018 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163939203 KK Annotated Bother COc1cc2nc(N(C)CCN(C)C(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000163939356 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CSC(=S)c3ccccc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000163961015 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)COc3cccc4ccccc34)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163961247 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)CCOc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163961603 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163964405 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000163965578 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163965738 KK Annotated Bother COc1cc2nc(NCCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000163965869 KK Annotated Bother COc1cc2nc(NCCCNC(=O)COc3cccc4ccccc34)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163971055 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000163974640 KK Annotated Bother COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163975963 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163976083 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163976187 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000163976302 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164025076 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164025194 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164025313 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164025431 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164025968 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164026090 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164026199 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164026327 KK Annotated Anodyne CC(C)(C)c1cc([C@@H](Nc2ccccc2)P(=O)(O)[C@H](Nc2ccccc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000164050319 KK Annotated Anodyne CC(C)(C)c1cc([C@@H](Nc2ccccc2)P(=O)(O)[C@@H](Nc2ccccc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000164050432 KK Annotated Anodyne CC(C)(C)c1cc([C@H](Nc2ccccc2)P(=O)(O)[C@@H](Nc2ccccc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000164050551 KK Annotated Anodyne C/C(=N/Nc1cccc(C(F)(F)F)c1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(C(F)(F)F)c3)C(=O)[C@@]12C ZINC000164050935 KK Annotated Mild C/C(=N/Nc1cccc(C(F)(F)F)c1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3cccc(C(F)(F)F)c3)C(=O)[C@]12C ZINC000164051058 KK Annotated Mild C/C(=N/Nc1ccc(Br)cc1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Br)cc3)C(=O)[C@@]12C ZINC000164051212 KK Annotated Mild C/C(=N/Nc1ccc(Br)cc1)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3ccc(Br)cc3)C(=O)[C@]12C ZINC000164051325 KK Annotated Mild C/C(=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)C(=O)[C@@]12C ZINC000164053918 KK Annotated Mild C/C(=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1c(O)c(C)c(O)c2c1OC1=Cc3c(c(C)nn3-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)C(=O)[C@]12C ZINC000164054038 KK Annotated Mild COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000164068701 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(OC)c4ccccc4n3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164068858 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3nccc4ccccc34)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164069335 KK Annotated Anodyne COc1ccc(OC)c(CC(=O)NCC(C)(C)CNc2nc(NCCC(c3ccccc3)c3ccccc3)c3cc(OC)c(OC)cc3n2)c1 ZINC000164069667 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000164069783 KK Annotated Anodyne COCCOCCOCC(=O)NCC(C)(C)CNc1nc(NCCC(c2ccccc2)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000164070218 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000164070400 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(Br)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164070554 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000164071313 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000164071494 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000164071660 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000164071805 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000164072643 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164072805 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000164072941 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000164073236 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164073396 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)COc3cccc4ccccc34)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000164073519 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCOc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164073846 KK Annotated Anodyne COc1ccc(CCCC(=O)NCC(C)(C)CNc2nc(NCCC(c3ccccc3)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000164074065 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000164074234 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc4cccc(OC)c4o3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164074391 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc(OC(C)C)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164074729 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CSC(=S)c3ccccc3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000164075191 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)CCc3ccc(F)cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164076731 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCCN(C)c2ccccc2)cc1OCc1ccccc1 ZINC000164076912 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3ccc4[nH]nnc4c3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164077058 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cccc(C)c3[N+](=O)[O-])nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164077273 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000164078478 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164078649 KK Annotated Bother COc1cc2nc(NCC(C)(C)CNC(=O)CCCc3ccc([N+](=O)[O-])cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000164078808 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1OCc1ccccc1 ZINC000164081522 KK Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000164082369 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000164082480 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000164082592 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000164082675 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000164082896 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000164082992 KK Annotated Anodyne COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000164083266 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000164083371 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000164083488 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000164083594 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000164084063 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000164084187 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000164084310 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2c[nH]c3ccccc23)cc1OCc1ccccc1 ZINC000164084935 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1OC ZINC000164085050 KK Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000164090796 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000164090910 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000164091197 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000164091413 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2c(Cl)cccc2Cl)cc1OCc1ccccc1 ZINC000164097051 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000164097177 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000164097299 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000164097558 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000164097785 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000164097907 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000164098031 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(Br)ccc2F)cc(OC)c1 ZINC000164099050 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 ZINC000164099314 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000164099445 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000164099570 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000164099980 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000164100115 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000164100242 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OCc1ccccc1 ZINC000164100792 KK Annotated Bother COc1cc(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000164100916 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(OC)c(OCc4ccccc4)c3)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000164101060 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OCc1ccccc1 ZINC000164101604 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(Br)ccc2F)ccc1OC ZINC000164105268 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000164105435 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000164105607 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000164105710 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000164105873 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000164106246 KK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000164106380 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCC(c3ccccc3)c3ccccc3)c2cc1OC ZINC000164110177 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(Br)ccc2OC)ccc1OC ZINC000164111632 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000164111835 KK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(Br)ccc2OC)cc1 ZINC000164111981 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 ZINC000164116099 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc(Br)ccc2F)cc1OC ZINC000164117163 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000164117452 KK Annotated Bother COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000164117632 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000164121906 KK Annotated Bother COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000164129405 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000164129529 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000164129654 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000164129779 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000164130714 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000164130838 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000164130966 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)c(OC)c1OC ZINC000164131089 KK Annotated Anodyne CC1=CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000164144095 KK Annotated Reactive COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164161028 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164161138 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164161263 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000164161384 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164161973 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164162097 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164162213 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000164162323 KK Annotated Anodyne O=C1Nc2ccccc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164170283 KK Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164170359 KK Annotated Anodyne O=C1Nc2ccccc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164170459 KK Annotated Anodyne O=C1Nc2ccccc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1CSCc1ccccc1 ZINC000164170517 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000164207678 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000164207773 KK Annotated Mild COc1cc2c(cc1OC)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164216676 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164216796 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164216919 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164217046 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164237560 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164237673 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164237793 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164237907 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@](O)(CCl)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C3CCCCCC3)CC2)CC1 ZINC000164244933 KK Annotated Unstable CN1CCC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCc6c(sc7c6CC(C)(C)C7)C5=O)c4CO)cn(C)c3=O)cc2)CC1 ZINC000164268517 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000164291088 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000164291209 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000164291341 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000164291450 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C2CCN(c3ccnc(C(F)(F)F)n3)CC2)CC1 ZINC000164300096 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)C2=O ZINC000164309175 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)C2=O ZINC000164309289 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)C2=O ZINC000164309403 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@@H](CSCc1ccccc1)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)C2=O ZINC000164309518 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000164341502 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000164342795 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000164342906 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000164343031 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000164346175 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164354886 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164355016 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164355069 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccc(O)cc2)cc1 ZINC000164355183 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164357995 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164358117 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164358246 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164358370 KK Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000164374440 KK Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1Cc1ccc(O)cc1 ZINC000164374557 KK Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccc(O)cc1 ZINC000164374681 KK Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1Cc1ccc(O)cc1 ZINC000164374812 KK Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164377316 KK Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164377435 KK Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164377567 KK Annotated Anodyne O=C1Nc2cc3ccccc3cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1CSCc1ccccc1 ZINC000164377701 KK Annotated Anodyne C[C@@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000164377884 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000164378009 KK Annotated Anodyne C[C@@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000164378132 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1)c1ccccc1 ZINC000164378248 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000164389731 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000164389868 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000164389962 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2Cc2ccccc2)cc1 ZINC000164390085 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164432033 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164432171 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164432300 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164432431 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1c1nc(N2CCC(C(=O)O)CC2)ncc1Cl ZINC000164449476 KK Annotated Anodyne O=C1Nc2cccc(Cl)c2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164449555 KK Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164449689 KK Annotated Anodyne O=C1Nc2cccc(Cl)c2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164449817 KK Annotated Anodyne O=C1Nc2cccc(Cl)c2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1CSCc1ccccc1 ZINC000164449956 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164502493 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164502628 KK Annotated Anodyne CC(C)c1ccc(C[C@@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164502760 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@H]2CSCc2ccccc2)cc1 ZINC000164502893 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164520097 KK Annotated Anodyne O=C(NCCN1CCOCC1)[C@H](C(c1ccccc1)c1ccccc1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164520225 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@@H]1CSCc1ccccc1 ZINC000164520346 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2C(=O)N([C@@H](C(=O)NCCN2CCOCC2)C(c2ccccc2)c2ccccc2)[C@H]1CSCc1ccccc1 ZINC000164520457 KK Annotated Anodyne CC(=O)N1CCC(Oc2ccc(I)cc2[C@@H]2NC(=O)C[C@H](c3cccc(Cl)c3)[C@@]23C(=O)Nc2cc(Cl)ccc23)CC1 ZINC000164564519 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164566985 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164567107 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164567238 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164567364 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164584701 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164584802 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164584931 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164585050 KK Annotated Anodyne CC[C@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCCC1 ZINC000164608672 KK Annotated Mild Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164631231 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164631348 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164631465 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164631582 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)c3cc4oc([C@]5(C)c6ccoc6C[C@H]6[C@H]5CC[C@H]5[C@](C)(C(=O)OC)CCC[C@]65C)cc4c(C)c3CC[C@H]12 ZINC000164645295 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164647059 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164647169 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000164647300 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000164647420 KK Annotated Anodyne COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)[C@@]2(c3ccc(OC)c(OC)c3)CC(=O)[C@H](C(=O)/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000164650556 KK Annotated Mild in-vivo COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)[C@]2(c3ccc(OC)c(OC)c3)CC(=O)[C@H](C(=O)/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000164650685 KK Annotated Mild in-vivo COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)[C@@]2(c3ccc(OC)c(OC)c3)CC(=O)[C@@H](C(=O)/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000164650802 KK Annotated Mild in-vivo COc1ccc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(OC)c(OC)c2)[C@]2(c3ccc(OC)c(OC)c3)CC(=O)[C@@H](C(=O)/C=C/c3ccc(OC)c(OC)c3)C2)cc1OC ZINC000164650935 KK Annotated Mild in-vivo CC(C)c1cc(-c2nn(C(=O)[C@@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@@H](N)Cc2ccccc2)cc1OC(=O)[C@@H](N)Cc1ccccc1 ZINC000164651496 KK Annotated Anodyne CC(C)c1cc(-c2nn(C(=O)[C@@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@H](N)Cc2ccccc2)cc1OC(=O)[C@@H](N)Cc1ccccc1 ZINC000164651717 KK Annotated Anodyne CC(C)[C@H](O)C(=O)N[C@H]1Cc2ccc3c(c2)[C@@]24c5cccc(c5N[C@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O ZINC000164673250 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686258 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686374 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686483 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686604 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686749 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686868 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164686989 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164687100 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164690454 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164690564 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164690680 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164690805 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164690936 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164691050 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164691168 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164691289 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164693181 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164693301 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164693435 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(OC)c(OC)cc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164693556 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164704998 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164705116 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164705228 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164705350 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164705997 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164706118 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164706235 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164706349 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164708237 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164708354 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164708482 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164708601 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164708718 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164708838 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164708958 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164709062 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164709296 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164709413 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164709520 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164709633 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164711249 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164711361 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164711462 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164711599 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164712274 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164712400 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164712537 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164712664 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164724252 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164724336 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164724429 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164724513 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164724880 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164724990 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725099 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725225 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725339 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725450 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725554 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725679 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164725904 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726035 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726160 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726278 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726409 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726513 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726635 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCCNC(=O)OCc1ccccc1 ZINC000164726769 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]4[C@@H]2c2ccc(O)cc2)cc1 ZINC000164728222 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]4[C@H]2c2ccc(O)cc2)cc1 ZINC000164728334 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164728595 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CSCc1ccccc1 ZINC000164728710 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164728821 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000164728935 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164729880 KK Annotated Mild Brc1c(Br)c(Br)c2[nH]c(N3CCN(CCN4CCCCC4)CC3)nc2c1Br ZINC000164729899 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164729993 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730109 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730223 KK Annotated Mild CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730409 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730539 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730673 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730789 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164730929 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164731058 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164731180 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164731300 KK Annotated Mild Nc1cc(Br)c(Br)cc1Nc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000164740699 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741096 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741217 KK Annotated Anodyne CCCCC/C=C/CC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741341 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741456 KK Annotated Anodyne C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741598 KK Annotated Mild C=CCCCCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741710 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741835 KK Annotated Mild C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1CCCNC(=O)OCc1ccccc1 ZINC000164741952 KK Annotated Mild CN1CCC(N(C)C[C@@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)c2ccccc2)CC1 ZINC000164745513 KK Annotated Anodyne CN1CCC(N(C)C[C@H](Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)c2ccccc2)CC1 ZINC000164745636 KK Annotated Anodyne Cc1c(Nc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)cccc1-c1nncn1C ZINC000164747094 KK Annotated Anodyne CN(C)CCCN(Cc1ccccc1)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000164749375 KK Annotated Anodyne CN(C)C[C@@H](CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1)[C@@H](O)c1ccccc1 ZINC000164752574 KK Annotated Anodyne CN(C)C[C@H](CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1)[C@@H](O)c1ccccc1 ZINC000164752696 KK Annotated Anodyne CN(C)C[C@@H](CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1)[C@H](O)c1ccccc1 ZINC000164752796 KK Annotated Anodyne CN(C)C[C@H](CNc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1)[C@H](O)c1ccccc1 ZINC000164752920 KK Annotated Anodyne Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000164755196 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)OCC1(CC)COC1 ZINC000164758317 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164768745 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164768878 KK Annotated Mild CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164769639 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164769756 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000164769890 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000164770006 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164770884 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164771013 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164771125 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164771240 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164771349 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164771477 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164771617 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164771743 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164805211 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164805341 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164805784 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164805892 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164806023 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164806135 KK Annotated Anodyne C=CCc1cc(Oc2cc(CC=C)c(Br)c(Br)c2Br)c(Br)c(Br)c1Br ZINC000164808589 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164854855 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164854979 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164855096 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164855211 KK Annotated Mild CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164856495 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164856620 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164858007 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164858127 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164858248 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164858366 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164858492 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164858610 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164858740 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000164858859 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000164877411 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000164877531 KK Annotated Mild CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000164878075 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000164878208 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000164878355 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000164878472 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000164878599 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000164878727 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000164889563 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000164889681 KK Annotated Mild CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000164896877 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000164896994 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000164897131 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000164897252 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000164897405 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000164897527 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000164898335 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000164898442 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000164898576 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000164898704 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000164898834 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000164898943 KK Annotated Mild Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)NCc4ccc(OCC(F)(F)F)nc4)CC3)s2)c1 ZINC000164898990 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164899081 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164899190 KK Annotated Mild CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000164899907 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000164900016 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000164900145 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000164900265 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000164900404 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000164900527 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000164900667 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000164900789 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000164900922 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000164901040 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000164901167 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000164901282 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164901420 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164901540 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000164901719 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000164901831 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164902575 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164902694 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164902816 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164902935 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164904515 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164904636 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164904748 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164904878 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000164921807 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000164921948 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000164922719 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000164922836 KK Annotated Mild CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000164923361 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCCN3CCCC3)ccc2O1 ZINC000164923492 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000164923627 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCCN3CCOCC3)ccc2O1 ZINC000164923766 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000164923917 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)CC1 ZINC000164924026 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164924427 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164924537 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164924664 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164924802 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC(C)(C)O3)cc1OC ZINC000164933494 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC(C)(C)O3)cc1OC ZINC000164933608 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000164933946 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000164934074 KK Annotated Mild CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000164941127 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000164941236 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000164941353 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000164941483 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000164941638 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000164941771 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000164942602 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000164942726 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000164942862 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000164942983 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000164943106 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000164943226 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164943369 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000164943479 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000164943859 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000164943983 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000164944209 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000164944320 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000164944465 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000164944581 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000164944714 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000164944837 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000164944963 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000164945090 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000164945469 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCN(c4ncccn4)CC3)ccc2O1 ZINC000164945594 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164945738 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000164945867 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000164946031 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000164946158 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164946405 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164946514 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164946616 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000164946747 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164946867 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164946987 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164947132 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000164947249 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000164947856 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000164947966 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000164948076 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000164948206 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164948347 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164948482 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164948602 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000164948708 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164948828 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164948959 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164949094 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000164949232 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000164966527 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000164966655 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000164967043 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000164967170 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000164968290 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000164968413 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000164968529 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000164968655 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000164968769 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000164968898 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000164969030 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000164969156 KK Annotated Mild COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000164970306 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000164970454 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000164970582 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000164970705 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000164970831 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000164970951 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000164971073 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000164971195 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000164971335 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000164971449 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000164971575 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000164971681 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000164971801 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000164971928 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000164972047 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000164972175 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000164972571 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000164972685 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000164972923 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000164973049 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000164973178 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000164973313 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000164973947 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000164974066 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000164974175 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000164974284 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164975453 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164975569 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164975687 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000164975805 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164986309 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164986432 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164987494 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164987613 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000164988134 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000164988276 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000164988403 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000164988531 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000164988654 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000164988758 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000164989139 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000164989272 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164989405 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164989526 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000164989675 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2cccc(C)c2)CC(C)(C)O3)cc1OC ZINC000164989798 KK Annotated Mild COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164990373 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164990494 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(C)cc2)CC(C)(C)O3)cc1OC ZINC000164990647 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(C)cc2)CC(C)(C)O3)cc1OC ZINC000164990759 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000164997284 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000164997426 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164997566 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164997693 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000164997839 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000164997969 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000164998181 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000164998311 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000164998446 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000164998565 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000164998702 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000164998816 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000164998941 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000164999055 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000164999455 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000164999578 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164999705 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000164999826 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000164999983 KK Annotated Anodyne Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2[C@@H](Cc2ccccc2)NC(=O)NC(C)(C)C)cc1 ZINC000016569026 KK Annotated Anodyne Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2[C@H](Cc2ccccc2)NC(=O)NC(C)(C)C)cc1 ZINC000016569027 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1ccccc1C ZINC000016569237 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1C ZINC000016569238 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1ccccc1F ZINC000016569239 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1F ZINC000016569240 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cc(OC)ccc1OC)C(=O)[C@@H](C)Cl ZINC000016570137 KK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cc(OC)ccc1OC)C(=O)[C@@H](C)Cl ZINC000016570138 KK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cc(OC)ccc1OC)C(=O)[C@H](C)Cl ZINC000016570139 KK Annotated Reactive CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cc(OC)ccc1OC)C(=O)[C@H](C)Cl ZINC000016570140 KK Annotated Reactive CC[C@H](C)COC(=O)c1ccc(/N=C\c2ccc(/C=N/c3ccc(C(=O)OC[C@@H](C)CC)cc3)cc2)cc1 ZINC000016957497 KK Annotated Mild CC(C)C(=O)C[C@H](c1ccc(Br)cc1)N1N=C(C(C)C)C[C@@H]1c1ccc(Br)cc1 ZINC000016958259 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(SC)c2)CC(C)(C)O3)cc1OC ZINC000165000115 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165000686 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165000807 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165001615 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165001733 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)COc2ccccc2)CC(C)(C)O3)cc1OC ZINC000165001883 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)COc2ccccc2)CC(C)(C)O3)cc1OC ZINC000165002014 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165002160 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165002296 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165002420 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165002553 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165002679 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165002809 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165002946 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165003065 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165003205 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165003338 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165003470 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165003583 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165003708 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165003836 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165003967 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165004079 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165004477 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165004609 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165004754 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165004909 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000165005098 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2ccc(C)c(Cl)c2)CC(C)(C)O3)cc1OC ZINC000165005227 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165006043 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165006182 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165006599 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165006726 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165006851 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165006979 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165007115 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165007235 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165007376 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165007491 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165007616 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165007758 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165007886 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165008022 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165008157 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165008278 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165008402 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165008532 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165008918 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165009042 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165009170 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165009307 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000165009454 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2-c2ccccc2)CC(C)(C)O3)cc1OC ZINC000165009579 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165009715 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165009841 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165009971 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165010095 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165010239 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165010351 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165010466 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165010599 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165010741 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165010853 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165010976 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165011107 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165011233 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165011356 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165011473 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165011595 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165011719 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165011841 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165011974 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165012096 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165013797 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165013932 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165014051 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165014165 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165014314 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165014438 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165014558 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165014663 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165024410 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165024530 KK Annotated Mild CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)CC(C)(C)O3)CC1 ZINC000165030818 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)CC(C)(C)O3)CC1 ZINC000165030938 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165031261 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165031379 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165033007 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165033137 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165033279 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165033402 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165033521 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165033620 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165033710 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165033841 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165034233 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165034379 KK Annotated Mild CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000165035027 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000165035164 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000165035300 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000165035428 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000165035589 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000165035722 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000165036114 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000165036233 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165037618 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165037741 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165037852 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165037967 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165038099 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165038202 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165038320 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165038441 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165038574 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165038700 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165038824 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165038963 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165039100 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165039219 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165039341 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165039460 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165039556 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165039680 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165039792 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165039905 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165040034 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165040150 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165040276 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165040406 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165040589 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165040700 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165040819 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165040944 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165041069 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165041190 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165041307 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165041424 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165059220 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165059327 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165059454 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165059560 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165068699 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165068824 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165085009 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165085131 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165085268 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165085393 KK Annotated Mild O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165085959 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165086087 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165086220 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165086346 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165086482 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165086600 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165087015 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165087130 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165087254 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165087381 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165087508 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165087626 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165087754 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165087874 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165088041 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165088173 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165088293 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165088415 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165095388 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165095512 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165095655 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165095795 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165095924 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165096052 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165096390 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165096478 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165096841 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165096969 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000165097188 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000165097319 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165097437 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165097569 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165097695 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165097810 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165097935 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165098047 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165098401 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165098523 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165098675 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165098802 KK Annotated Mild COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165099378 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165099478 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165099634 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165099759 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165099886 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100011 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100139 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100264 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100383 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100521 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100643 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165100745 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165101097 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165101209 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165101348 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165101472 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165101829 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165101919 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165102043 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165102164 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165102287 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165102423 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165102541 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165102656 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165102789 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165102911 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165103031 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165103129 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165103260 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165103365 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165103481 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165103608 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165103734 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165103871 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165103968 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165104088 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165104193 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165104307 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165104407 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165104510 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165104632 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165104753 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165104858 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165104968 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165121366 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165121495 KK Annotated Mild COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165122033 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165122147 KK Annotated Anodyne CCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(CCCCCCCCCCCC)CCC[N+](C)(C)CCCCCCCCCCCC ZINC000165123602 KK Annotated Mild COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165137389 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165137511 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165137676 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165137803 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165138606 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165138725 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165138846 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165138966 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165139098 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165139216 KK Annotated Mild COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165139751 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165139866 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165139995 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165140098 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165140243 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165140377 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165140521 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165140637 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165141939 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165142062 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165142176 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165142311 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165142451 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165142567 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165142671 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165142799 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165164425 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165164572 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165164705 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165164826 KK Annotated Mild O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165165629 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165165762 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165165887 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165166003 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165166096 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165166200 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165166298 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165166400 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165166523 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165166639 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165166776 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165166908 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165167285 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165167399 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165167518 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165167628 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5CCC(F)(F)CC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165179507 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165182517 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165182646 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165182762 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165182876 KK Annotated Mild CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165193019 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165193128 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165193246 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165193368 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165193499 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165193636 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165193769 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165193878 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165193989 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165194108 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165195193 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165195307 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165195430 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165195542 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165195669 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165195781 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165195906 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165196026 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165196151 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165196273 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165196401 KK Annotated Mild Cc1ccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165196524 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165196657 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165196782 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165196908 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165197011 KK Annotated Mild COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165197453 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165197574 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165197698 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165197803 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198036 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198149 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198286 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198410 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198536 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198663 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198785 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165198901 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199037 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199155 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199263 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199386 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199522 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199637 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199765 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165199879 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165200008 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165200133 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165200253 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165200380 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165200512 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165200646 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165201396 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165201515 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165201627 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165201743 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165201864 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165201965 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165202063 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165202177 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165203725 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165203846 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165203980 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165204106 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165204231 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165204348 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165204484 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165204593 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@@H]5COCCO5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165209397 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@H]5COCCO5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165209504 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(NC5CCN(C6CCOCC6)CC5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165211807 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165216920 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165217049 KK Annotated Mild CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5CCC(F)(F)CC5)c(Cl)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000165221141 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165223302 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165223420 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165223805 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165223931 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165225054 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165225160 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165225306 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165225416 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165225516 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165225636 KK Annotated Mild Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165225798 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165225941 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165226072 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165226207 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165226341 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165226485 KK Annotated Mild O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165227068 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165227197 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165227346 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165227469 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165227598 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165227729 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165227867 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165227990 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165228132 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165228267 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165228398 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165228522 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165228652 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165228790 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165228913 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165229045 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165229182 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165229298 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165229439 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165229577 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165229777 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165229903 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165230022 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165230133 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165232236 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165232336 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165232435 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165232512 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165242672 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165242813 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165243637 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165243761 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165244582 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165244712 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165244834 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165244961 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165245085 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165245211 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165245360 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165245474 KK Annotated Mild CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(Cl)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000165246012 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165246058 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165246188 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165252937 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165253057 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000165253185 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000165253322 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@@H]5CCN(CC(F)F)C5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165253649 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165253784 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165253913 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165254040 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165254166 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165254289 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165254407 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165254532 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165254654 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165254786 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165254899 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165255034 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165255156 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165255295 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165255426 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165255566 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165255696 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165255994 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165256120 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165256251 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165256381 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165257219 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165257352 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000165257724 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000165257835 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000165257956 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000165258085 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000165258202 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000165258326 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000165258457 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000165258586 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000165258708 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000165258848 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000165258990 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000165259112 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165259238 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165259366 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165259479 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165259601 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165259729 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1Cl ZINC000165259856 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165259989 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165260106 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165260233 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165260362 KK Annotated Mild COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165261167 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165261282 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165261944 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262078 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262214 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262349 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262469 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262596 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262741 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262865 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165262985 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263108 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263244 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263364 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263489 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263609 KK Annotated Anodyne CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5CCOCC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000165263644 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263733 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263853 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165263978 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165264096 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165264215 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165264328 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165264453 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165264601 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165265019 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165265144 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165265259 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165265361 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165265955 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165266079 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165266197 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165266319 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165266456 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165266556 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165266672 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165266785 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165266914 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165267028 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165267159 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165267270 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165268846 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165268970 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165269088 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165269196 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165269335 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165269452 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165269568 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165269687 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC5CCN(C6CCOCC6)CC5)c(C#N)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165269702 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165278163 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165278305 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165278679 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165278792 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165279134 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165279259 KK Annotated Mild CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165285647 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165285768 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165286153 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165286273 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165286613 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165286749 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165287089 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165287220 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165287458 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165287578 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165287708 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165287832 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165287950 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165288070 KK Annotated Mild Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165288188 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165288311 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165288449 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165288566 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165288710 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165288825 KK Annotated Mild O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000165289444 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000165289562 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165289693 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165289838 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165289968 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165290085 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165290211 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165290326 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000165290472 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000165290639 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165290760 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165290886 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165291011 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165291142 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165291282 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165291428 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165291550 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165291671 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165291822 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165291963 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165292143 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165292262 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165292374 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165292495 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165292632 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165292756 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165292876 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165293001 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165293113 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165293238 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165293352 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165293474 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165293614 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165293736 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165293856 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165293976 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165294114 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165294235 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165294366 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165294482 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165294623 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165294745 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165294869 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165294995 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165295126 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165295257 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165295377 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165295500 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165295639 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165295757 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165295868 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165296007 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCN(C(CF)CF)CC5)c(C(F)(F)F)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165298522 KK Annotated Anodyne CN(C)CC(=O)N1CCC(F)(COc2ncc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc(N)c(Cl)c3)cc2Cl)CC1 ZINC000165298661 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165303521 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165303662 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165303802 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165303911 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165304706 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165304833 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165304984 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165305073 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165305439 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165305575 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165306022 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165306143 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165306280 KK Annotated Mild Cc1cccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165306405 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165306561 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165306693 KK Annotated Mild Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165307255 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165307379 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165313735 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165313865 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000165313992 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000165314102 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165314577 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165314708 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165314844 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165314962 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165315105 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165315234 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165315361 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165315478 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165315840 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165315976 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165316106 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165316237 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165316376 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165316505 KK Annotated Anodyne C#Cc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)CC4)CC3)cc2Oc2cc3cc[nH]c3cc2F)cnc1OCC1CCOCC1 ZINC000165317048 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165317071 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165317195 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165318025 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165318156 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000165318537 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1Cl ZINC000165318656 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000165318798 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1Cl ZINC000165318920 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000165319046 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000165319160 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000165319300 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000165319416 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000165319572 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000165319673 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000165319808 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000165319932 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165320048 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165320165 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165320303 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000165320422 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165320832 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1Cl ZINC000165320951 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165321079 KK Annotated Mild Cc1ccc(/N=C(\S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1Cl ZINC000165321212 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165321363 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165321476 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165321994 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165322106 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165322233 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165322364 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165322515 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165322648 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165322777 KK Annotated Anodyne O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165322911 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323046 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323175 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323304 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323419 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323550 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323678 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323801 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165323928 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165324065 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165324183 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCN(CC(F)F)CC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165324248 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165324321 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165324441 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165324539 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165324671 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165325065 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCN(c2ncccn2)CC1 ZINC000165325197 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165325339 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165325462 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165325598 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165325735 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165325864 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165326007 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165326128 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165326249 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165326389 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165326518 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCN(C6CC6)CC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165326580 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165326635 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165326756 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165326875 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165327016 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165327134 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165327256 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165327390 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165327504 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165327624 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165327743 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165327868 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165327996 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165328115 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165328241 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165328363 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165328490 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165328635 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165328764 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165328905 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165329023 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165329153 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165329274 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165329411 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165329527 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165329659 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165329769 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165329897 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165330021 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165330142 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165330263 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165330399 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165330529 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165330660 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165330782 KK Annotated Anodyne CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccccc2OCCOC)CC1 ZINC000165335690 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165338044 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165338176 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165338931 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@@H]5COCCO5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165339016 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165339060 KK Annotated Anodyne CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@H]5COCCO5)c(Br)c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000165339143 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165339200 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165339330 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165339460 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165339568 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165339704 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165339823 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165340640 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165340762 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165340879 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165341002 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165341127 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165341251 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165341386 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165341522 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165341908 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165342031 KK Annotated Mild COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165342324 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165342452 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165342864 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165342989 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165349112 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165349237 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000165349960 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000165350080 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165350227 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165350349 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165350478 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165350591 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165350726 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165350851 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165350974 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165351098 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165351223 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165351356 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165351473 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165351580 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165351714 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165351846 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165352230 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165352351 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165352648 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165352776 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165354368 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165354483 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000165354625 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000165354755 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165354897 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165354998 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165355143 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165355247 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165355407 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165355533 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165355668 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165355791 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165355914 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165356049 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165356160 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165356274 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165356403 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165356520 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165356898 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165357018 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165357265 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165357391 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165357521 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165357639 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165357767 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165357896 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000165358798 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000165358935 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165359064 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165359183 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000165359312 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000165359446 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165359572 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165359708 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165359831 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165359940 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165360073 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165360188 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165360320 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000165360448 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165360586 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165360707 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000165360827 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000165360946 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165361091 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1OC ZINC000165361208 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1OC ZINC000165361353 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1OC ZINC000165361477 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165361601 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1OC ZINC000165361727 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165361859 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165361977 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165362107 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165362207 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165362329 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165362460 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165362581 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165362677 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165362828 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165362940 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165363066 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165363186 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165363294 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165363438 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165363557 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165363682 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165363817 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165363947 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165364064 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165364184 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165364326 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165364452 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165364570 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165364688 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165364815 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165364941 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165365058 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165365182 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165365318 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165365465 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165365594 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165365716 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165365836 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165365963 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165366086 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165366213 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165366345 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165366461 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165366580 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165366696 KK Annotated Anodyne CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OCC5(F)CCOCC5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)CO1 ZINC000165369130 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(F)(F)C3)cc21 ZINC000165374574 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165374695 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165374824 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165374989 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165375096 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165375558 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165375678 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165375813 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165375939 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165376070 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165376195 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165376325 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165376450 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165376579 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165376686 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000165376941 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000165377074 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165377343 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165377485 KK Annotated Anodyne CN(CC#N)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000165377563 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165377637 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165377753 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165377882 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165377999 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165378133 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165378263 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165378402 KK Annotated Anodyne CN(c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)[C@@H]1CCS(=O)(=O)C1 ZINC000165378518 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165378531 KK Annotated Anodyne CN(c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)[C@H]1CCS(=O)(=O)C1 ZINC000165378644 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165378672 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165378807 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165378939 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165379065 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165379195 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165379312 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165379432 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165379553 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165379667 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165379785 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165380189 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165380312 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165380431 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165380570 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165380722 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165380854 KK Annotated Anodyne C#Cc1cc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CC(C)(C)OC4)CC3)cc2Oc2cc3cc[nH]c3cc2F)cnc1OCC1CCOCC1 ZINC000165380858 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165380988 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165381098 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165381231 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165381349 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165381473 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165381600 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165381738 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165381846 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165381968 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165382089 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165382232 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165382371 KK Annotated Mild CC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4CCC(F)CC4)cc3[nH]2)c1F ZINC000165382459 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165382489 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165382624 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165382755 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165382886 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165383268 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165383388 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165383521 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(N3CCC(C(C)(C)O)CC3)cc21 ZINC000165383637 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165383647 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165383797 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165383933 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)C)no3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000165384335 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N4CC[C@@H](F)C4)cc3n2CC(F)F)c1Cl ZINC000165384499 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165385727 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165385848 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(C)cc2)CC2(CCCCC2)O3)cc1OC ZINC000165386003 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(C)cc2)CC2(CCCCC2)O3)cc1OC ZINC000165386116 KK Annotated Anodyne CCN1C[C@@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165388445 KK Annotated Anodyne CCN1C[C@@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165388557 KK Annotated Anodyne CCN1C[C@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165388686 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165388830 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165388957 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165389093 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165389780 KK Annotated Anodyne CN(CC(F)F)c1cc2c(cc1C(=O)Nc1ccc(F)c(Cl)c1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000165389876 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165389915 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165390049 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165391066 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165391191 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165391324 KK Annotated Anodyne CCOCCN1C[C@@]23CC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165391458 KK Annotated Anodyne CCOCCN1C[C@]23CC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165391576 KK Annotated Anodyne CCOCCN1C[C@]23CC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165391699 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165392167 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165392298 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165392441 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165392570 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165392685 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC(F)(F)C3)cc21 ZINC000165392751 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165392827 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165392954 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165393090 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165393507 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165393637 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165393775 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165393916 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000165394071 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)cc1OC ZINC000165394184 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165394317 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165394455 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165394590 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165394701 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165394827 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165394947 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165395087 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165395219 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165395353 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165395496 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165395634 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165395749 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165395883 KK Annotated Anodyne COC(=O)N1C[C@@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165395975 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165396008 KK Annotated Anodyne COC(=O)N1C[C@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165396111 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165396129 KK Annotated Anodyne COC(=O)N1C[C@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165396239 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165396250 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165396373 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165396511 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165396615 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165396647 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165396734 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165396868 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165397001 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165397143 KK Annotated Anodyne CC(C)(O)Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCOCC3)cc21 ZINC000165397239 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(SC)c2)CC2(CCCCC2)O3)cc1OC ZINC000165397280 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165397465 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165397574 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165397689 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165397708 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165397819 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165397831 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N(C(C)C)C(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165397944 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165397969 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165398101 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(F)CC3)cc21 ZINC000165398131 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165398252 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165398373 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165398485 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165398619 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165399272 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000165399291 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165399416 KK Annotated Anodyne CN(Cc1ccc(F)cc1)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000165399440 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165399558 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165399698 KK Annotated Anodyne C#CCN(C)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000165399838 KK Annotated Mild COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165399879 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165400015 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165400156 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165400291 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165400421 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165400549 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165400976 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165401098 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165401222 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165401380 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165401520 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N3CCOCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165401647 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165401718 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165401868 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165402007 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165402138 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165402269 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165402396 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165402540 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165402664 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165402795 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165402918 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165403050 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165403207 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165403355 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165403497 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165403615 KK Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165403660 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165403733 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(NC3CC(F)(F)C3)cc21 ZINC000165403744 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165403785 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165403878 KK Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165403913 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165404026 KK Annotated Mild CNC(=O)N1C[C@@]23CC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165404069 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165404158 KK Annotated Mild CNC(=O)N1C[C@@]23CC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165404195 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165404291 KK Annotated Mild CNC(=O)N1C[C@]23CC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165404330 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165404459 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165404574 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165404690 KK Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165404723 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165404841 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165404987 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165405119 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165405254 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCCCC2)O3)cc1OC ZINC000165405374 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165405526 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165405657 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165405794 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165405919 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165406047 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165406174 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165406319 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165406473 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165406624 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165406748 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165406896 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165407015 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165407152 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165407284 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165407403 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165407542 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165407644 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@H](C(F)(F)F)C3)cc21 ZINC000165407766 KK Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165407789 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@@H](C(F)(F)F)C3)cc21 ZINC000165407898 KK Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(C1)CN(S(=O)(=O)C(C)C)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165407933 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165407983 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165408117 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165408261 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165408402 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165408467 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165408554 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165408670 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165408780 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000165408901 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CN(C)CC3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165408985 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165409037 KK Annotated Anodyne CCOCCN1C[C@@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165409112 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165409163 KK Annotated Anodyne CCOCCN1C[C@@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165409229 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165409303 KK Annotated Anodyne CCOCCN1C[C@]23COC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165409347 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165409417 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165409497 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165409569 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165409614 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165409686 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)N(C)C)cc21 ZINC000165409733 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165409827 KK Annotated Anodyne COC(=O)N1C[C@@]23CC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165409886 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165409955 KK Annotated Anodyne COC(=O)N1C[C@@]23CC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165410000 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165410080 KK Annotated Anodyne COC(=O)N1C[C@]23CC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)NS(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165410123 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165410213 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165410350 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165410480 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165410627 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165410769 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165411157 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165411285 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165411426 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165411546 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165411562 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165411679 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165411709 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165411848 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165411988 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165412098 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165412224 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165412328 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165412462 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165412612 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165412731 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165412862 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@]3(CN(C(C)=O)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165412966 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165412988 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165413103 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34COC[C@@]3(CN(C(C)=O)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165413106 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@]3(CN(C(C)=O)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165413230 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165413237 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165413359 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165413476 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165413593 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165413719 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165413840 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165413984 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165414123 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165414269 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165414390 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165414535 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165414666 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CCC[C@@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165414772 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165414785 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CCC[C@@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165414915 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165414918 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165415047 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CCC[C@]3(CN(C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165415052 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165415179 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165415318 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165415459 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165415594 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165415709 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165415820 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165415950 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165416077 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165416129 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165416210 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165416252 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165416341 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N3CCCC3)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165416374 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165416452 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165416591 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165416717 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000165416836 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165416841 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(C(C)=O)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165416944 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165416964 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(C)=O)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165417069 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(C)=O)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165417201 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C(=O)N(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165418132 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(C(=O)N(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165418268 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(C(=O)N(C)C)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165418406 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165418550 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165418691 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000165418783 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(CN(CC(F)(F)F)C4)C1)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165418816 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@]3(C1)CN(C1CC1)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165422341 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(C1)CN(C1CC1)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165422468 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34CC[C@@]3(C1)CN(C1CC1)C4)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)C)cc21 ZINC000165422584 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000165425437 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000165425561 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165425696 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165425819 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165425948 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165426084 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165426223 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165426363 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165426496 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165426633 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165426766 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165426884 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165427117 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165427250 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165427368 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165427498 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165427619 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165427726 KK Annotated Mild Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165427866 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165427987 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000165428138 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000165428258 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165428376 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165428519 KK Annotated Mild O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000165435240 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000165435366 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000165435506 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000165435626 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000165435772 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)CC2(CCCCC2)O3)CC1 ZINC000165435909 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000165436086 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000165436212 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165436339 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165436475 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165436598 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165436733 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165436877 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000165437030 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165437164 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165437274 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165437407 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165437526 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165437656 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165437763 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165437896 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165438019 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000165438168 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000165438273 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000165439109 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000165439223 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000165439337 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000165439426 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165439568 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165439645 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000165440098 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000165440226 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165440624 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165440743 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165440901 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165441025 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000165441172 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000165441294 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165441431 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165441557 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165441691 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165441817 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165441945 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000165442075 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165442218 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000165442351 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165442489 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1Cl ZINC000165442610 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165442727 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000165442865 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165442985 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1Cl ZINC000165443102 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165443234 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1Cl ZINC000165443364 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165443505 KK Annotated Mild Cc1ccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1Cl ZINC000165443631 KK Annotated Mild COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165443862 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165443985 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165444126 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165444248 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165444378 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165444513 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165445443 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165445567 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165445707 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165445828 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000165445961 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000165446075 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165446209 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165446325 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165446454 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165446582 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165446710 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165446830 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000165446977 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000165447099 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165447779 KK Annotated Anodyne O=C(NCCCN1CCCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165447910 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165448044 KK Annotated Anodyne O=C(NCCN1CCOCC1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165448180 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165448303 KK Annotated Anodyne CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCCCC2)O3)CC1 ZINC000165448429 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165448566 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165448700 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165448827 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000165448960 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165449107 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165449239 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165449379 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000165449506 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165449638 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165449776 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165449894 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165450022 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165450166 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165450291 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165450415 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165450520 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165450648 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165450781 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165450902 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165451031 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165451179 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165451303 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165451434 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165451544 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165451685 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165451808 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165451931 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165452055 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165452178 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165452302 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165452439 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165452561 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165452707 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165452811 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165452938 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165453058 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165453181 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165453329 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165453460 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165453565 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165461216 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165461343 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165461488 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165461616 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165461758 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165461878 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165462005 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165462138 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165462272 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000165462410 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165462824 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165462964 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165463104 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165463243 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165463632 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165463750 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165463869 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165463996 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165464399 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165464526 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165464672 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165464788 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165464911 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165465026 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165465144 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000165465265 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165465893 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000165466024 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165466156 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)CC2(CCCCC2)O3)cc1OC ZINC000165466294 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165466429 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165466560 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165466692 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165466823 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165466959 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165467081 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165467217 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165467340 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165467467 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165467590 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165467733 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165467870 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165468000 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165468129 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165468261 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165468395 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165468526 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165468630 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165468840 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165468971 KK Annotated Mild Cc1cccc(/N=C(\S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165469073 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165469228 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)/C(S)=N/c2cccc(C)c2)CC2(CCCCC2)O3)cc1OC ZINC000165469361 KK Annotated Mild Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000165470137 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000165470234 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000165470364 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000165470490 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000165470618 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000165470751 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165471095 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165471225 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccc(C)cc2)CC2(CCCCC2)O3)cc1OC ZINC000165471377 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccc(C)cc2)CC2(CCCCC2)O3)cc1OC ZINC000165471516 KK Annotated Anodyne COCCOc1ccccc1N1CCN(C(=O)[C@@]2(Oc3ccc(C(F)(F)F)cc3)CN(C(=O)c3cnccc3C(F)(F)F)CC(C)(C)C2)CC1 ZINC000165472946 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000165487653 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000165487800 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000165487947 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000165488062 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000165488184 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000165488304 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165489768 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165489905 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165490024 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165490166 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165490303 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000165490434 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000165490563 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000165490704 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165492252 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165492377 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165492519 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000165492648 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165492792 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165492922 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000165493054 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000165493186 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165493316 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165493445 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165493559 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000165493669 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165493820 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165493953 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165494085 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165494206 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165494354 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165494507 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165494631 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165494769 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165494907 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165495036 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165495157 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165495284 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165495915 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165496030 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165496158 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165496288 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165503628 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165503758 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165503908 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165504025 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165504881 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165505014 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165505133 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165505271 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165506120 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165506227 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165506433 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165506517 KK Annotated Mild COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165507404 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165507541 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165515701 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165515841 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165515984 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165516113 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165516249 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165516384 KK Annotated Mild CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165522771 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165522903 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165524879 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165525017 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165525153 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165525274 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165525402 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165525538 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165525673 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165525811 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165525957 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165526079 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165526211 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165526328 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165526448 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165526561 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165526699 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165526824 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165526957 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165527091 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165527230 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165527361 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165528520 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165528644 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165528795 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165528920 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165529055 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165529172 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165529322 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165529455 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165529603 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165529734 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165529892 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165530023 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165530163 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165530291 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165530406 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165530542 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165530684 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165530817 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165530958 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165531035 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165531176 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165531310 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165534568 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165534695 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165534816 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165534953 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165543069 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165543199 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165543596 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165543727 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165543886 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165544017 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165544246 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165544374 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165544506 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165544638 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165545899 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165546017 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165546208 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165546324 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165546605 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165546741 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165546875 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165547009 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165547135 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165547268 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165547389 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165547503 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165547642 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165547785 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165547921 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165548044 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165548178 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165548302 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165548449 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165548580 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165549121 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165549245 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)c2ccc(C)cc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165549431 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)c2ccc(C)cc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165549561 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165556102 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165556232 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165556373 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165556506 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165556650 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165556790 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165556951 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165557084 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165557209 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165557331 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165557466 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165557586 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165557733 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165557866 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165558003 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165558134 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165558276 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000165558414 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165558551 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000165558677 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165558814 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165558946 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165559091 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165559240 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165559393 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165559526 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165559671 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165559806 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165560742 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165560875 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165561017 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165561157 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165561984 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165562118 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165562299 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165562429 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165562577 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165562718 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165562865 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165562998 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165563130 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165563270 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165563401 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165563523 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165563678 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165563824 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165563968 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165564106 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165564246 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165564369 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165564501 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165564630 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165564762 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165564892 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165565028 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165565161 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165565300 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165565423 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165565578 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165565704 KK Annotated Mild COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165565902 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165566037 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2[C@@]1(C)CO ZINC000165566328 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165568073 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165568207 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165568862 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165568990 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165569118 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165569248 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165569386 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165569504 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165569637 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165569767 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165569899 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165570038 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165570172 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165570323 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165570462 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165570591 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165570734 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165570865 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165571023 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165571160 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165571301 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165571427 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165571540 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165571676 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165572714 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165572831 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165572917 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165573012 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165573105 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165573226 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165573324 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165573455 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165575740 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165575853 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165575997 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165576130 KK Annotated Anodyne CCNc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@@](OC)(C(=O)Nc5ccc6[nH]nc(-c7ccc(F)cc7)c6c5)C4)CC3)c(F)c2)o1 ZINC000165581014 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165590428 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165590571 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165591864 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165592021 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165592421 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165592539 KK Annotated Mild COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165593251 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165593394 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165593529 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000165593666 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000165593807 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000165593926 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165594061 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165594157 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165594288 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 ZINC000165594400 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165594545 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165594681 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165605597 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165605729 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165605867 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165605987 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165606648 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165606778 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165606933 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165607072 KK Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165607924 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165608041 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165608194 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165608326 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165608676 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165608812 KK Annotated Anodyne COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)C[C@H](C)CN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000165610676 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165615239 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165615360 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165615588 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165615700 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165615829 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165615967 KK Annotated Anodyne COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)C[C@@H](C)CN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000165616685 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165617201 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165617274 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165617445 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165617581 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165618137 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165618269 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165618407 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165618531 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165619113 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165619237 KK Annotated Anodyne COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165619723 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165619865 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165620002 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165620131 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165620258 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165620348 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165620473 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165620610 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165620719 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165620857 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165620997 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165621126 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165621271 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165621395 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165621534 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165621649 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165621818 KK Annotated Mild COCCCN(/C(S)=N/c1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165621954 KK Annotated Mild COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165623385 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000165623512 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165623653 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000165623744 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000165623872 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000165623994 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165624112 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000165624243 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165624383 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165624510 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165624663 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165624780 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165624941 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000165625078 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165625214 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000165625347 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165625486 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165625617 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165625770 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000165625905 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165626032 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165626161 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165626316 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165626440 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]3c5c(cc(O)cc5[C@H]2[C@H]4c2ccc(O)cc2)O[C@@H]3c2ccc(O)cc2)cc1 ZINC000165631748 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165652463 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165652596 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165652720 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165652847 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165655840 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165655969 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165656090 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165656231 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165656371 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165656496 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165656622 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165656759 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165656894 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165657032 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165657156 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165657278 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165657431 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165657532 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165657676 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165657796 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165657931 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165658057 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165658188 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165658307 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165659830 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165659959 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165660099 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165660224 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165660355 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165660483 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165660601 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165660723 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165660863 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165660971 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165661094 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165661205 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165661350 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165661481 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165661614 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165661738 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165661868 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165661995 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165662123 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165662255 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165662389 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165662519 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165662639 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165662756 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165662891 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165663022 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165663143 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165663265 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165663407 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165663539 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165663663 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165663786 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165679439 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165679570 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165679708 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165679839 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165679951 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165680090 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165681376 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165681515 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165682344 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165682463 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165682590 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165682733 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165683386 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165683512 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165683645 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165683768 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165683894 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165684013 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165684132 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165684278 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165684399 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165684522 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165684661 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165684795 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165684924 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165685064 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165685192 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165685315 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165686248 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165686379 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165686502 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165686628 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165697053 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165697199 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165697349 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165697484 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165697618 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165697744 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165697948 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165698056 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165698213 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165698363 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165698495 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165698610 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165698736 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165698856 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165698991 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165699135 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165699262 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165699390 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165700052 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165700177 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165700307 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)c1 ZINC000165700431 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165700566 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165700704 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165700842 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000165700975 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165701098 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165701219 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165701376 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165701515 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165701657 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165701793 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165702792 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165702904 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165703065 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165703184 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165703305 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165703431 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165704868 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165705001 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165705631 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165705743 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165705857 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165705998 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165706133 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165706245 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165706357 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165706478 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165706608 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165706697 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165706811 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165706944 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165707084 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165707217 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165707339 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165707471 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165707596 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165707712 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165707827 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165707915 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165707998 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165708138 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165708242 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165708369 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165708509 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165708630 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)c(OC)c4c1[C@H](Cc1ccc(OC)c(O)c1Oc1ccc(cc1)CC3=NCC2)N(C)CC4 ZINC000165708683 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165708728 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165708861 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165708999 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165709146 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165709265 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165709398 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165709528 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165709660 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165709791 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165709920 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165710068 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165710199 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165710318 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165710433 KK Annotated Mild COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165710742 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165710860 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165710979 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165711118 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165712808 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165712933 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165713081 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165713201 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165713336 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000165713471 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165713603 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165713731 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165713852 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165713977 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165714112 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165714257 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165714365 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165714478 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165715131 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165715260 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165715383 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165715499 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165715637 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165715786 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165715900 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165716021 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165716150 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165716298 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165716433 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165716571 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165716706 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165716846 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165716989 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165717117 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165717277 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165717365 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165717471 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165717605 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165717773 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165717906 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165722725 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165722854 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165722994 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165723131 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165738135 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165738269 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165747166 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165747286 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165747644 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165747784 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165748970 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165749095 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165750225 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165750336 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165750751 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165750883 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165752064 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165752192 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165752594 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165752723 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165752864 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165752962 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165753075 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165753215 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165753353 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165753477 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165753608 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165753744 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165753862 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165753975 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165755203 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165755354 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165755511 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165755624 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165756051 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165756184 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165757400 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165757516 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165764412 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165764524 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165765752 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165765876 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165766290 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165766420 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165766556 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000165766686 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165766813 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000165766936 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165767079 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000165767205 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165767340 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000165767473 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165767614 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165767752 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165768975 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165769098 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165769254 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165769388 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165769574 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165769704 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165770111 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165770233 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165771441 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165771545 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165774352 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165774470 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165774883 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165775016 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165775161 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165775287 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165775403 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165775535 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165775669 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165775791 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165775940 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165776054 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165776194 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165776312 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165776445 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165776575 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165776695 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165776816 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165776957 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165777095 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165777227 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165777347 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165777474 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165777608 KK Annotated Mild COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165777960 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000165778129 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165779340 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000165779489 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165780686 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165780816 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165781214 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000165781347 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165781477 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000165781597 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165781723 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165781853 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165781982 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000165782113 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165782249 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000165782396 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165782539 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000165782685 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165782824 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000165782952 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165783085 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165783211 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165783356 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165783472 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165783621 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165783752 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165783899 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165784012 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165784183 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165784312 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165797299 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165797424 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165798217 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165798321 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165798454 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165798594 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165798719 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165798862 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165799006 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165799142 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165799821 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165799959 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165800089 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165800211 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165800342 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165800480 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165800611 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165800724 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165800889 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165800998 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165801127 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165801247 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165801399 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165801528 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165801630 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165801760 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165801889 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165802016 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165802338 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165802474 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165802880 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165803005 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165809441 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165809550 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165810203 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165810312 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000165810429 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000165810566 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165810712 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165810846 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165810976 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165811087 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165811214 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165811350 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165811489 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000165811623 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165811756 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165811901 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165812039 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165812161 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165812303 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000165812443 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165812834 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165812956 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165813241 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165813366 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165813755 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165813894 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165814417 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165814560 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165815237 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165815373 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165815502 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165815625 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165815759 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165815883 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165816007 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165816129 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165816269 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165816406 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165816547 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165816666 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165816791 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165816918 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165817040 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165817148 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165817271 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165817402 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165817521 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165817661 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165817799 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165817945 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165819175 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165819299 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000165819404 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000165819482 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000165820406 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000165820511 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165820656 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165820785 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165820916 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000165821050 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165821175 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165821296 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165821422 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165821552 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165821699 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165821826 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165821959 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000165822087 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165822227 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165822367 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000165822498 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165822620 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165822747 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165822859 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165822997 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165823122 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165823267 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165823383 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165827151 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165827269 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165827390 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165827502 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165838740 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165838877 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165839108 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165839246 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165846487 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165846618 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165847395 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165847521 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165847748 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165847875 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165848002 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165848163 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165848274 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165848420 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165848562 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165848704 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165848839 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165849559 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000165849695 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165849834 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165849959 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165850109 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165850241 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165851651 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165851764 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165851906 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165852037 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165852170 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165852288 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165852412 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165852550 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165860997 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165861107 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165861469 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165861609 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165861753 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165861889 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165862041 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)NCCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165862174 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165862329 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165862466 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165862574 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165862698 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165862923 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165863026 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165863447 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165863550 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165863670 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165863795 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165863955 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165864092 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165871289 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165871405 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165872218 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165872326 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165872466 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165872570 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165872766 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(SC)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165872882 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165873293 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165873416 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000165874365 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165874488 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000165874626 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165874779 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165874887 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165875001 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165875143 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165875281 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165875419 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165875541 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165875645 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165876061 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165876192 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165876314 KK Annotated Mild COc1ccc(CCN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165876452 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165876614 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)/C(S)=N/c2ccc(C)c(Cl)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165876741 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165877386 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000165877497 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165877973 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000165878110 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165878246 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000165878340 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165878475 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000165878594 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165878722 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000165878869 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165878982 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000165879120 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165879512 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000165879646 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165879768 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000165879892 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165880047 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)Nc2ccccc2-c2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165880167 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165881345 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165881483 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165881597 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000165881723 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165881860 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165881998 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165882112 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000165882240 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165883875 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165883995 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165884110 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165884238 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165884366 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165884484 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165884619 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165884737 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165892296 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165892427 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165892893 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)c1 ZINC000165893026 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165893425 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165893538 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165893945 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165894074 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165894303 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165894419 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165894630 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000165894747 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165894874 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165895015 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165895137 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165895289 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165895425 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165895561 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165897326 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000165897414 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165897543 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000165897649 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165897799 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN3CCN(C)CC3)ccc1O2 ZINC000165897887 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165898999 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165899100 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165899201 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000165899329 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165899540 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165899659 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165899777 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000165899901 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165900571 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165900698 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165900820 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 ZINC000165900932 KK Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165908015 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3=O)cc21 ZINC000165908137 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165908898 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165909007 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165909614 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165909753 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165910201 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000165910328 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165910553 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000165910681 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000165910799 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165911201 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000165911323 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165911464 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)/C(S)=N/c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000165911577 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165920365 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165920497 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000165920691 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000165920804 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165929976 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000165930098 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000165930319 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000165930433 KK Annotated Mild COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000165931905 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCN(C)CC4)cc32)cc1 ZINC000165932033 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000165941737 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000165941867 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000165942082 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000165942203 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000165942342 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000165942473 KK Annotated Mild COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165949743 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165949869 KK Annotated Anodyne COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000165950593 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000165950727 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000165950975 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000165951103 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000165951244 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000165951376 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000165951497 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000165951621 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165951750 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165951870 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165952007 KK Annotated Mild COc1ccc(CN(/C(S)=N/c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165952129 KK Annotated Mild COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165953051 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000165953173 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165953337 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000165953452 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165954589 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165954701 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165954818 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000165954943 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165955068 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165955195 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165955322 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000165955463 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)cc1 ZINC000166169808 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000166170071 KK Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@]2(C)CC[C@H](O)C(C)(C)O[C@H]2CC[C@@]1(C)OC(C)=O ZINC000166188600 KK Annotated Anodyne C=C1C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@H]12 ZINC000166192151 KK Annotated Reactive C[C@H]1CC[C@@H]2OC(C)(C)[C@]3(O)CC[C@]2(O3)[C@@]1(C)CC[C@@]1(C)[C@H](C)CC[C@@H]2OC(C)(C)[C@]3(O)CC[C@@]21O3 ZINC000166193759 KK Annotated Anodyne COc1c(CNC(C)C)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CC[C@H](F)C4)nc23)c1 ZINC000166222645 KK Annotated Anodyne CCCCCCC[C@H]1C[C@H]2CC[C@H]3C(C(=O)OCCCCCCCCC[C@@H]4N=C(N)N5CCCC5=C4C(=O)OCCCCN=C(N)N)=C(C)NC(=N1)N32 ZINC000166223741 KK Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000166228815 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000166228942 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000166229061 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000166229185 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166230799 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166230916 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166231044 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166231167 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)OC1=O ZINC000166238021 KK Annotated Bother O=C(O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)Oc1ccc2c(c1)CCC2 ZINC000166248715 KK Annotated Anodyne O=C(O)C[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)CCC(=O)Oc1ccc2c(c1)CCC2 ZINC000166248831 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000166269533 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000166269644 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000166269704 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000166269800 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166270993 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166271118 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166271236 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000166271353 KK Annotated Anodyne COc1c(Cl)cc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000166290909 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000166307638 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000166307756 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000166307846 KK Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H]2[C@H]1CO[C@@]2(/C=C/C=C(C)C)COC(=O)CCCCCCCCCCCCCCCCC ZINC000166307872 KK Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000166307946 KK Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H]2[C@H]1CO[C@@]2(/C=C/C=C(C)C)COC(=O)CCCCCCCCCCCCCCC ZINC000166308238 KK Annotated Mild CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000166308340 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000166308468 KK Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000166308501 KK Annotated Mild CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000166308591 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)/C=C/c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000166308699 KK Annotated Anodyne C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000166308740 KK Annotated Mild C=C(C)[C@H]1CCC2=C[C@@H](C[C@](C)(O)[C@H](OC(=O)c3cc4oc3C[C@@H](C(=C)C)CCC3=C[C@@H](C[C@]5(C)O[C@@H]45)OC3=O)c3cc(C(=O)O)c(o3)C1)OC2=O ZINC000166377695 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@H](C=C(C)C)OC(C)=O)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000166405962 KK Annotated Anodyne COC(C)(C)/C=C/C/C(C)=C/CC/C(C)=C/Cc1cc(O)c(C)cc1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O ZINC000166406456 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC[C@@]1(C)CCCC2=C1CC[C@H](C)[C@@]2(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000166411668 KK Annotated Anodyne CC(C)[C@H](N)C(=O)N[C@H]1Cc2ccc(O)c(c2)[C@]23c4cccc(c4O[C@H]2O)-c2cccc4[nH]c(Cl)c(c24)-c2oc(nc2Cl)-c2nc(oc23)[C@H](C(C)C)NC1=O ZINC000166423344 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)N[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCC)OC(C)=O ZINC000166425566 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@H](CN2C(=O)CC[C@H]2C(=O)OC)[C@@H]1O ZINC000166463892 KK Annotated Mild CC(=O)O[C@H](CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@@H](OC(C)=O)[C@@](C)(O)CCC=C(C)C)[C@@](C)(O)CCC=C(C)C ZINC000166483064 KK Annotated Anodyne C/C=C/C=C/C[C@@H](C[C@@H](CCCCCCc1cc(O)cc(O)c1)SS[C@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](C/C=C/C=C/C)OS(=O)(=O)O)OS(=O)(=O)O ZINC000166549094 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/CCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000166556164 KK Annotated Mild CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C([C@H]3C=C4C(C)(C)C[C@H](O)C[C@@]4(C)O3)C(=O)O2)[C@](C)(O)C1 ZINC000166647690 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C([C@@H]3C=C4C(C)(C)C[C@H](O)C[C@@]4(C)O3)C(=O)O2)[C@](C)(O)C1 ZINC000166647808 KK Annotated Bother CC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CC1=C[C@@]3(C)CCC[C@@]3(C)[C@]3(C[C@H](OC(C)=O)C(C)(C)O3)O1)O2 ZINC000166672138 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CC(=O)[C@@H]1O[C@]3(C[C@H](OC(C)=O)C(C)(C)O3)[C@]3(C)CCC[C@]13C)O2 ZINC000166672461 KK Annotated Anodyne CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c3c(c1O2)C[C@@](O)(CCCCC)OC3=O ZINC000166719122 KK Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)O)[C@@]5(CCC[C@H](C)O5)N=C(N2)N43)O1 ZINC000166759342 KK Annotated Anodyne CC(=O)O[C@@H]1CC(C)=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C([C@H]3C=C4C(C)(C)C[C@H](O)C[C@@]4(C)O3)C(=O)O2)C(C)(C)C1 ZINC000166761041 KK Annotated Mild CC1=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C([C@H]3C=C4C(C)(C)C[C@H](O)C[C@@]4(C)O3)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000166761284 KK Annotated Mild CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 ZINC000166765263 KK Annotated Reactive CN(C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1)C(=O)OC(C)(C)C ZINC000166952001 KK Annotated Anodyne CN(C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2c(F)cccc2F)c1)C(=O)OC(C)(C)C ZINC000166952108 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1 ZINC000166955422 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(F)c1 ZINC000166955536 KK Annotated Anodyne CN(C[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C ZINC000166955790 KK Annotated Anodyne CN(C[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)c(F)c2)c1)C(=O)OC(C)(C)C ZINC000166955901 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CCN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000166966696 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CCN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1 ZINC000166966819 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@@H](CN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F ZINC000166979380 KK Annotated Anodyne COc1ccc(C(=O)Nc2cccc([C@H](CN(C)C(=O)OC(C)(C)C)Nc3ncnc4c(C(N)=O)cccc34)c2)cc1F ZINC000166979503 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000166980440 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000166980532 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C(=O)[C@@]1(CC=C(C)C)C2=O ZINC000166989344 KK Annotated Mild NC(=O)c1cccc2c(N[C@@H](CCN3CCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000167025463 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCC3)c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4F)c3)ncnc12 ZINC000167025573 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 ZINC000167074512 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(Br)cc4)c3)ncnc12 ZINC000167074615 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12 ZINC000167075402 KK Annotated Anodyne NC(=O)c1cccc2c(N[C@H](CCN3CCCCC3)c3cccc(NC(=O)c4ccc(F)c(F)c4)c3)ncnc12 ZINC000167075530 KK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CC[C@]2(C=Cc3ccccc32)C[C@@H]1c1ccccc1 ZINC000167117868 KK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CC[C@@]2(C=Cc3ccccc32)C[C@@H]1c1ccccc1 ZINC000167117977 KK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CC[C@]2(C=Cc3ccccc32)C[C@H]1c1ccccc1 ZINC000167118096 KK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1nc(Cl)ccc12)N1CC[C@@]2(C=Cc3ccccc32)C[C@H]1c1ccccc1 ZINC000167118200 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccc5)COC4)ccc3C)c(F)c12 ZINC000167200295 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)COC4)ccc3C)c(F)c12 ZINC000167203229 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ccccn5)COC4)c(OC)cc3C)c(F)c12 ZINC000167203339 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167316961 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167317067 KK Annotated Anodyne O=C(NCc1cc2ccccc2[nH]1)[C@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167373883 KK Annotated Anodyne O=C(NCc1cc2ccccc2[nH]1)[C@@H](O)c1ccc(-c2noc(-c3onc(-c4ccccc4)c3C(F)(F)F)n2)cc1 ZINC000167373989 KK Annotated Anodyne CCc1ncnc(-c2ccc(C(=O)N3CCC4(CC3)CC(NC(=O)OC(C)(C)C)C4)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167468985 KK Annotated Mild CCc1ncnc(-c2ccc(C(=O)N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000167473875 KK Annotated Mild CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccn[nH]2)s1 ZINC000168042495 KK Annotated Anodyne NC(=O)c1cc(OCc2ccccc2)cc2c(NCc3cccc(NC(=O)c4ccnc(N5CCCC5)c4)c3)ncnc12 ZINC000168193677 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OC[C@H]2CCC[N+]2(C)[O-])s1 ZINC000168351712 KK Annotated Bother C/C(=N\Oc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)C(F)(F)F ZINC000168367241 KK Annotated Mild CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2ccccc2)s1 ZINC000168434654 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCc2cnco2)s1 ZINC000168455258 KK Annotated Anodyne C/C(CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1)=N\O ZINC000168466213 KK Annotated Mild O=C(/C=C/[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000168483405 KK Annotated Anodyne CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCC[C@H](NC(=O)[C@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCNC1=O ZINC000168845608 KK Annotated Mild CCc1nn(Cc2ccc(NC(=O)c3ccc(Br)cc3Cl)cc2)c(CC)c1CC(=O)O ZINC000168884446 KK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3Br)cc2)c(CC)c1CC(=O)O ZINC000168885957 KK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3Br)cc2)c(CC)c1CC(=O)O ZINC000168887093 KK Annotated Anodyne CCc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cc2)c(CC)c1CC(=O)O ZINC000168940419 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1CCCCC1)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(C)c1ccccc1 ZINC000169040384 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCCN1C(C)C)C1(C)CCCCC1)C1(C)CCCCC1)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N(CC)CC ZINC000169113252 KK Annotated Mild O=S(=O)(Nc1cc(F)cc(-c2nc(C3CC3)[nH]c2-c2ccncn2)c1Cl)c1c(F)cccc1F ZINC000169131881 KK Annotated Anodyne CC(C)(C)c1nc(-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(N)n2)[nH]1 ZINC000169136130 KK Annotated Anodyne CCCCOC(=O)N1c2ccc(C(F)(F)F)cc2N([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@@H]1CC ZINC000169210813 KK Annotated Mild CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(N)n2)[nH]1 ZINC000169230971 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)CC(C)C)c2)n1 ZINC000169234261 KK Annotated Anodyne NC(=O)c1ccc(-n2cc(C(F)(F)F)c3c(-c4cnc5ccccc5c4)ccnc32)cc1N[C@@H]1CC[C@@H](O)CC1 ZINC000169242376 KK Annotated Anodyne CCCc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169269137 KK Annotated Anodyne COc1ccc(-c2cn(-c3ccnc4c3c(C(C)C)nn4-c3ccc(C(N)=O)c(N(O)C4CCCCC4)c3)cn2)cc1 ZINC000169274811 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]12 ZINC000169289452 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@H]2O[C@H]2/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169289454 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/[C@H]2O[C@H]2/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169289455 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@H]2O[C@H]2/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169289456 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/[C@H]2O[C@H]2/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169289457 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(N(C)C)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169289463 KK Annotated Anodyne CCOP(=O)(OCC)OCc1ccc(S(=O)(=O)CC(C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 ZINC000169289467 KK Annotated Reactive COc1cc([C@H]2[C@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000169289472 KK Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000169289473 KK Annotated Anodyne CO[C@@]12C=C3C(=C(C)C(=O)C(O)=C3[C@@H]3O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]1C)[C@H](C)[C@H](O)[C@H]3C)O2 ZINC000169289485 KK Annotated Mild CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000169289503 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000169289504 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000169289505 KK Annotated Anodyne CCC[C@H](C/C(C)=C/[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H](O)C[C@@H](OC(C)=O)C[C@@H](O)CC/C(C)=C\CCC[C@@H](O)C[C@H](O)[C@@H]1C)OC(C)=O ZINC000169289507 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5ccc(O)cc56)[C@@H]1CC4)[C@H]23 ZINC000169289515 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=S)NC9CC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169289523 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(=O)CCCCCCCCC(=O)O[C@H]1c4cc5c(cc4[C@@H](c4cc(OC)c(OC)c(OC)c4)[C@H]4C(=O)OC[C@H]14)OCO5)[C@@H]32 ZINC000169289527 KK Annotated Anodyne C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000169289528 KK Annotated Mild C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000169289529 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]3C[C@@](C)(O)[C@H](CC[C@@H](C)C(=O)CC/C(C)=C\[C@H]12)O3 ZINC000169289548 KK Annotated Anodyne Cc1cccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1 ZINC000169289558 KK Annotated Clean CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169289577 KK Annotated Anodyne O[C@]12C=C([C@@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169289590 KK Annotated Anodyne O[C@]12C=C([C@@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000169289591 KK Annotated Anodyne O[C@]12C=C([C@@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169289592 KK Annotated Anodyne COc1cccc(/C=C2/CCN3[C@@H](CCC2=O)C[C@]24CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]2CC5)[C@H]34)c1 ZINC000169289593 KK Annotated Mild CC(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169289596 KK Annotated Anodyne CC(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169289597 KK Annotated Anodyne CC(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169289598 KK Annotated Anodyne COc1cc(/C=C/[C@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169289643 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169289644 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccc(OC)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169289645 KK Annotated Anodyne COc1cc(/C=C/[C@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169289658 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169289659 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)CCC(=O)NCC(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169289680 KK Annotated Anodyne Cc1cc(O)nc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169289701 KK Annotated Anodyne Cc1cc(O)nc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169289702 KK Annotated Anodyne Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169289713 KK Annotated Anodyne Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169289714 KK Annotated Anodyne Cc1cc(=O)n(C(=O)OC(C)(C)C)c2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169289715 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000169290020 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000169290021 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000169290022 KK Annotated Anodyne COc1cc(/C=C/[C@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169290041 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169290042 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169290123 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3\cc/c([nH]3)=C(/c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169290124 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(/c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169290125 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C[C@H](O)[C@H](C)CCCCC(=O)O1 ZINC000169290212 KK Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169290219 KK Annotated Mild N#Cc1cccc(-c2cccc3c2CC[C@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@@H](O)C(F)(F)F)c1 ZINC000169290227 KK Annotated Mild O=NN1[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000169290265 KK Annotated Anodyne O=NN1[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000169290266 KK Annotated Anodyne O=NN1[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000169290267 KK Annotated Anodyne O=NN1[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000169290314 KK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)[C@@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000169290315 KK Annotated Anodyne O=NN1[C@@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000169290316 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000169290363 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000169290364 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC/C=C\C=C/[C@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169290390 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC/C=C/C=C\[C@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169290391 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC/C=C/C=C/[C@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169290392 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OCc3cn(CCCC(=O)NCCCCN[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@@H]5CC[C@@]5(C)[C@H]6CC[C@@H]5[C@H](C)CCCC(C)C)C4)nn3)c(OC)c2)ccc1O ZINC000169290440 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000169290444 KK Annotated Mild CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@H]1C[C@@H](O)[C@@]2(C)O[C@H]2/C=C\[C@@H](C)[C@@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@@H]2C(=O)O1 ZINC000169290545 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@H]1C[C@@H](O)[C@@]2(C)O[C@H]2/C=C/[C@@H](C)[C@@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@@H]2C(=O)O1 ZINC000169290546 KK Annotated Anodyne CC1(C)OC[C@@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000169290629 KK Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000169290630 KK Annotated Anodyne N#C[C@@]12C(=O)N3C(=N[C@@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCCC1 ZINC000169290642 KK Annotated Mild N#C[C@]12C(=O)N3C(=N[C@@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCCC1 ZINC000169290643 KK Annotated Mild N#C[C@@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCCC1 ZINC000169290644 KK Annotated Mild CCCCc1ccc(Nc2nc(Cl)c3c(ncn3[C@@H]3C[C@@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)n2)cc1 ZINC000169290694 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3c(ncn3[C@H]3C[C@@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)n2)cc1 ZINC000169290695 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3c(ncn3[C@@H]3C[C@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)n2)cc1 ZINC000169290696 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3c(ncn3[C@H]3C[C@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)n2)cc1 ZINC000169290697 KK Annotated Anodyne O[C@@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000169290710 KK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3[C@@H](ON(Cc4ccc(CC(N)=O)cc4)[C@H]3c3c4ccccc4c(C)c4ccccc34)C2=O)cc1 ZINC000169290802 KK Annotated Bother C/C1=C(\CCOC(=O)[C@@H](N)C(C)C)SS/C(CCOC(=O)[C@@H](N)C(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000169290819 KK Annotated Reactive C/C1=C(/CCOC(=O)[C@@H](N)C(C)C)SS/C(CCOC(=O)[C@@H](N)C(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000169290820 KK Annotated Reactive CCCCCCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169290834 KK Annotated Mild CCCCCCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169290835 KK Annotated Mild CCCCCCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169290836 KK Annotated Mild O[C@@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000169290874 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000169290875 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(C(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000169290883 KK Annotated Mild CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290884 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290885 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290886 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290887 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@H](O)CC)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290921 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@H](O)CC)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290922 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@H](O)CC)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290923 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@H](O)CC)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290924 KK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290927 KK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290928 KK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290929 KK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169290931 KK Annotated Anodyne CC(C)C#C[C@@H](c1ccc(C2(C(F)(F)F)N=N2)cc1)N1CC[C@@H](CC(=O)O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169290933 KK Annotated Mild CC(C)C#C[C@H](c1ccc(C2(C(F)(F)F)N=N2)cc1)N1CC[C@@H](CC(=O)O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169290934 KK Annotated Mild COc1ccc(C[C@@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169290944 KK Annotated Anodyne C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=C(O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169290954 KK Annotated Mild C/C1=C\C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169290955 KK Annotated Mild C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=C(O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169290956 KK Annotated Mild C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169290957 KK Annotated Mild O=C(O)C[C@@H]1CCN([C@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000169290962 KK Annotated Mild CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C\C=C/[C@H](CC)CC[C@H](O2)[C@H]1CCCO ZINC000169290993 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C\C=C\[C@H](CC)CC[C@H](O2)[C@H]1CCCO ZINC000169290994 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C\[C@H](CC)CC[C@H](O2)[C@H]1CCCO ZINC000169290995 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C/[C@H](CC)CC[C@H](O2)[C@H]1CCCO ZINC000169290996 KK Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000169290998 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000169290999 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000169291000 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000169291001 KK Annotated Mild C[C@H]1C[C@@]23CC[C@H]4[C@@]5(C)CCC[C@@]4(C)C(=O)OC(=O)[C@@]4(C)CCC[C@]6(C)[C@H]7CC[C@]8(C[C@]7(CC[C@@H]46)C[C@H]8C)OC(=O)CCCCCCCCC(=O)O[C@@]1(CC[C@@H]52)C3 ZINC000169291003 KK Annotated Reactive CC[C@H]1/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@@H](C)O ZINC000169291020 KK Annotated Anodyne CC[C@H]1/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@@H](C)O ZINC000169291021 KK Annotated Anodyne CC[C@H]1/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@@H](C)O ZINC000169291022 KK Annotated Anodyne CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@@H](C)O ZINC000169291023 KK Annotated Anodyne O=C1CC/C=C/COc2ccccc2[C@H](NC(=O)c2ccccc2)[C@@H](O)C(=O)O[C@H]2C[C@@H]3[C@@H](OC(=O)c4ccccc4)c4c(cccc4C(=O)N3C2)CO1 ZINC000169291035 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000169291043 KK Annotated Mild CC[C@H]1/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CCCO ZINC000169291055 KK Annotated Anodyne CC[C@H]1/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CCCO ZINC000169291056 KK Annotated Anodyne CC[C@H]1/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CCCO ZINC000169291057 KK Annotated Anodyne CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CCCO ZINC000169291058 KK Annotated Anodyne CCCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169291063 KK Annotated Anodyne CCCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169291064 KK Annotated Anodyne CCCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169291065 KK Annotated Anodyne CCCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O2 ZINC000169291066 KK Annotated Anodyne CCCCCCCCC[C@@H]1C=C(CC[C@H]2[C@@H](OC)O[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000169291071 KK Annotated Mild CCCCCCCCC[C@H]1C=C(CC[C@H]2[C@@H](OC)O[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000169291072 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@@H]2[C@@H](OC)O[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000169291073 KK Annotated Mild CCCCCCCCC[C@H]1C=C(CC[C@@H]2[C@@H](OC)O[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000169291074 KK Annotated Mild C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@]5(C)C(=O)OCCCOC(=O)CC(=O)OCCCOC(=O)[C@@]6(C)CCC[C@]7(C)[C@H]8CC[C@]9(C)C[C@@]8(CC[C@@H]67)C[C@@H]9OC(=O)CCCCCCCCC(=O)O[C@@H]1C[C@@]3(CC[C@@H]45)C2 ZINC000169291078 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000169291080 KK Annotated Mild C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169291084 KK Annotated Mild C/C1=C\C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169291085 KK Annotated Mild C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=CC(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169291086 KK Annotated Mild C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169291087 KK Annotated Mild CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C\C=C/[C@H](CC)CC[C@H](O2)[C@H]1CC[C@@H](C)O ZINC000169291095 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C\C=C\[C@H](CC)CC[C@H](O2)[C@H]1CC[C@@H](C)O ZINC000169291096 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C\[C@H](CC)CC[C@H](O2)[C@H]1CC[C@@H](C)O ZINC000169291097 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C\[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C/[C@H](CC)CC[C@H](O2)[C@H]1CC[C@@H](C)O ZINC000169291098 KK Annotated Anodyne O=C1/C(=C/c2ccccc2Cl)CN2C[C@]13[C@@H](c1ccccc1Cl)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000169291099 KK Annotated Mild CCO[C@H](/C=C/C(C)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000169291100 KK Annotated Mild CCO[C@@H](/C=C/C(C)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000169291101 KK Annotated Mild CC[C@H]1/C=C\C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC ZINC000169291169 KK Annotated Anodyne CC[C@H]1/C=C/C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC ZINC000169291170 KK Annotated Anodyne CC[C@H]1/C=C\C=C\CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC ZINC000169291172 KK Annotated Anodyne CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC ZINC000169291174 KK Annotated Anodyne COC(=O)C[C@@H]1CCN([C@@H](C#CC(C)C)c2ccc(-n3cnc(C)c3)c(OC)c2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000169291210 KK Annotated Mild COc1cc([C@@H](C#CC(C)C)N2CC[C@@H](CC(=O)O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC000169291212 KK Annotated Mild COc1cc([C@H](C#CC(C)C)N2CC[C@@H](CC(=O)O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC000169291213 KK Annotated Mild C[C@H]1C[C@@]23CC[C@H]4[C@@]5(C)CCC[C@@]4(C)C(=O)OCCCOC(=O)CC(=O)OCCCOC(=O)[C@@]4(C)CCC[C@]6(C)[C@H]7CC[C@]8(C[C@]7(CC[C@@H]46)C[C@H]8C)OC(=O)CCCCCCCCC(=O)O[C@@]1(CC[C@@H]52)C3 ZINC000169291224 KK Annotated Anodyne C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=C(SCC(=O)O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169291239 KK Annotated Mild C/C1=C\C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(SCC(=O)O)=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169291240 KK Annotated Mild C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=C(SCC(=O)O)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169291241 KK Annotated Mild C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(SCC(=O)O)=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169291242 KK Annotated Mild CC[C@H]1CN2CC[C@H]3c4ccc(O)c([C@@H]5CCCN5C)c4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000169291243 KK Annotated Clean C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=C(Cl)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169291246 KK Annotated Mild C/C1=C\C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169291247 KK Annotated Mild C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C/C=C(\C)C(=O)C[C@H](O)[C@@H](C)/C=C\C=C/C=C(\C)C(=O)NC2=C(Cl)C(=O)c3c(cc(C)c(O)c3C1=O)C2=O ZINC000169291248 KK Annotated Mild C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C(C)=C/C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000169291249 KK Annotated Mild CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(Cl)cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291251 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](O)CCCCCCCC)[C@@H]3OC ZINC000169291255 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CCCCCCCC)[C@@H]3OC ZINC000169291256 KK Annotated Mild CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4cccc(C)c4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291298 KK Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C\C[C@H](OCSC)[C@@H]1C ZINC000169291302 KK Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(Cl)cc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OCSC)[C@@H]1C ZINC000169291303 KK Annotated Anodyne CCC1=C[C@@H]2C[C@H](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(OC)cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291333 KK Annotated Anodyne CCC1=C[C@@H]2C[C@@H](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(OC)cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291334 KK Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@@H]([C@H]97)[C@H]7C[C@@H]8N6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000169291356 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(F)cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291357 KK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@@H]([C@@]2(CCC3=CCOC3=O)C(=C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]32C)OC1=O ZINC000169291358 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@@H]([C@@]2(CCC3=CCOC3=O)C(=C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]32C)OC1=O ZINC000169291360 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@@H]([C@@]2(CCC3=CCOC3=O)C(=C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]32C)OC1=O ZINC000169291362 KK Annotated Mild C=C1CC[C@H]2[C@](C)(CO)[C@@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=C[C@@H]([C@@]2(CCC3=CCOC3=O)C(=C)CC[C@@H]3[C@@](C)(CO)[C@@H](O)CC[C@@]32C)OC1=O ZINC000169291363 KK Annotated Mild CC1=C2O[C@]34OC5(CCN(C)CC5)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000169291384 KK Annotated Mild CO[C@@H](C[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169291400 KK Annotated Anodyne CO[C@H](C[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169291401 KK Annotated Anodyne CO[C@@H](C[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169291402 KK Annotated Anodyne CO[C@H](C[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169291403 KK Annotated Anodyne COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(\C=O)CC/C=C(/C)CC/C=C(\C)C3)cc3c(c12)OCO3 ZINC000169291406 KK Annotated Reactive COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(/C)CC/C=C(\C)C3)cc3c(c12)OCO3 ZINC000169291407 KK Annotated Reactive CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169291412 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](O)CCCCCC)[C@@H]3OC ZINC000169291441 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CCCCCC)[C@@H]3OC ZINC000169291442 KK Annotated Mild O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000169291445 KK Annotated Bother O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000169291446 KK Annotated Bother CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc([N+](=O)[O-])cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291478 KK Annotated Bother C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](COCc2ccccc2)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169291504 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](COCc2ccccc2)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169291506 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccc(F)cc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291553 KK Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)/C=C(/C)CC[C@@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]12 ZINC000169291560 KK Annotated Mild CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(C(F)(F)F)cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291569 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccccc9Cl)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291570 KK Annotated Anodyne CCCCNCc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169291585 KK Annotated Anodyne CC[C@@H](C)OC(=O)[C@@]1(C)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C\C[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](OC)/C(C)=C\C=C/[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC1=O ZINC000169291592 KK Annotated Anodyne CC[C@@H](C)OC(=O)[C@@]1(C)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C/C[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](OC)/C(C)=C\C=C/[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC1=O ZINC000169291593 KK Annotated Anodyne CC[C@@H](C)OC(=O)[C@@]1(C)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C\C[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](OC)/C(C)=C/C=C\[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC1=O ZINC000169291594 KK Annotated Anodyne CC[C@@H](C)OC(=O)[C@@]1(C)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C/C[C@@H](C)[C@@H](O)[C@@H](O)[C@@H](OC)/C(C)=C/C=C\[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC1=O ZINC000169291595 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C\C=C/[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000169291596 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(C)=O)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291597 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C/C=C\[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000169291598 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@H](C)[C@H](O)[C@@H](O)[C@H]1C/C=C/C=C/[C@H](O)C[C@@H](O)[C@H](C)c2nc(cs2)/C=C(\CCCCCC)C(=O)O1 ZINC000169291599 KK Annotated Anodyne CCc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169291607 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(Nc9ccccc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291608 KK Annotated Anodyne C#C[C@H](O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000169291615 KK Annotated Mild C#C[C@H](O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000169291616 KK Annotated Mild O=C1CCCN2[C@H]3[C@@]45C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]6CCN(CCCC/C=C/CC4)C[C@@]63C[C@@]2(CC1)O5 ZINC000169291619 KK Annotated Anodyne O=[N+]([O-])c1cccc(C([P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)c1 ZINC000169291655 KK Annotated Bother CC[C@H]1CCCN(CCc2c([C@@]3(CO)CC[C@@H](CO)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000169291671 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccncc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291689 KK Annotated Anodyne O=C1CCCN2[C@H]3[C@@]45C=C(c6nccc7c6[nH]c6ccc(O)cc67)[C@@H]6CCN(CCCC/C=C/CC4)C[C@@]63C[C@@]2(CC1)O5 ZINC000169291698 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)Cc4ccccc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291707 KK Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(-c5cccc(F)c5)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169291727 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C(=O)OCc9ccccc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291740 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccccc4F)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291756 KK Annotated Anodyne CCO[C@@H]1[C@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1 ZINC000169291762 KK Annotated Anodyne CCO[C@@H]1[C@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1 ZINC000169291763 KK Annotated Anodyne CCO[C@@H]1[C@@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1 ZINC000169291764 KK Annotated Anodyne CCO[C@@H]1[C@@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1 ZINC000169291765 KK Annotated Anodyne CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(-c4cccc(F)c4)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169291768 KK Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(N5CCCCC5)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169291769 KK Annotated Anodyne C/C=C/[C@@H](O)C/C=C/C[C@@H](C)[C@@H](O)CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]1O[C@@]2(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O2)CC[C@@H]1C ZINC000169291784 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@@H](C)[C@@H](O)CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]1O[C@@]2(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O2)CC[C@@H]1C ZINC000169291785 KK Annotated Anodyne C/C=C/[C@@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]1O[C@@]2(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O2)CC[C@@H]1C ZINC000169291786 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]1O[C@@]2(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O2)CC[C@@H]1C ZINC000169291787 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C\C[C@H](O)[C@@H]1C ZINC000169291788 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C ZINC000169291790 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(C)cc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291797 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)On2nnc3ccccc32)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169291804 KK Annotated Unstable CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccc(OC)c(OC)c4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291825 KK Annotated Anodyne CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3CC[C@H]4[C@@H]5CC(=O)O[C@@H](C6CCC6)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000169291827 KK Annotated Mild CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169291830 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169291831 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169291832 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1CO)O2 ZINC000169291833 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C\CC[C@@H]1C ZINC000169291844 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](O)C[C@H](OC)[C@@H]1C)O2 ZINC000169291854 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](O)C[C@H](OC)[C@@H]1C)O2 ZINC000169291856 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](O)C[C@H](OC)[C@@H]1C)O2 ZINC000169291857 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](O)C[C@H](OC)[C@@H]1C)O2 ZINC000169291858 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169291875 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169291876 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000169291877 KK Annotated Mild O=C1/C(=C/c2ccc(Br)cc2)CN2C[C@]13[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000169291887 KK Annotated Mild O=C1/C(=C/c2ccc(Br)cc2)CN2C[C@]13[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000169291888 KK Annotated Mild CC1=C2O[C@]34OC5(CCCCC5)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000169291896 KK Annotated Mild O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000169291905 KK Annotated Bother O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000169291906 KK Annotated Bother CC(=C/C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C ZINC000169291910 KK Annotated Bother CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(=O)c2cccc3cc5ccccc5cc23)C[C@H](OC)[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 ZINC000169291911 KK Annotated Bother CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccc(C)cc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169291916 KK Annotated Anodyne O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169291926 KK Annotated Anodyne O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000169291927 KK Annotated Anodyne O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169291928 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2/C(C)=C(\OC(=O)OCc3ccccc3)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000169291929 KK Annotated Mild CCC1=C[C@@H]2C[C@H](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4cccc(F)c4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291938 KK Annotated Anodyne CCC1=C[C@@H]2C[C@@H](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4cccc(F)c4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291939 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4cccc(OC)c4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169291943 KK Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C\C[C@H](OC(=O)c2ccccc2)[C@@H]1C ZINC000169291967 KK Annotated Anodyne C/C=C(\C)[C@H]1OC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)OC(=O)/C(C)=C/C[C@H](OC(=O)c2ccccc2)[C@@H]1C ZINC000169291969 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000169291987 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000169291988 KK Annotated Reactive CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000169291989 KK Annotated Reactive CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000169291990 KK Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1CCCC[C@H]1C/C=C\c1cc3c(cc(OCC)nc3cc1OC)O2)C(=O)NS(=O)(=O)C1CC1 ZINC000169292040 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292045 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292046 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292047 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)[C@@H](O)C(=O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292048 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)/C=C\CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169292061 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)/C=C/CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169292062 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)/C=C\CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169292063 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)/C=C/CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169292064 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169292066 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169292067 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169292069 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169292070 KK Annotated Mild O=C1CC[C@H]2C[C@]34CN5CCCC/C=C/CC[C@@]6(C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]3CC5)O[C@H](CC1)N2[C@@H]64 ZINC000169292079 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](O)CCCC)[C@@H]3OC ZINC000169292087 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CCCC)[C@@H]3OC ZINC000169292088 KK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/CO)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000169292100 KK Annotated Anodyne CC[C@@H]1C(C)=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292126 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292128 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292129 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)[C@@H](O)[C@@H](O)/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169292130 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCCN2CCOCC2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169292156 KK Annotated Anodyne CCC1=C[C@@H]2C[C@H](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccccc4OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169292161 KK Annotated Anodyne CCC1=C[C@@H]2C[C@@H](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccccc4OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169292162 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)c(C4=C[C@@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000169292189 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)C(F)(F)F)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169292190 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169292196 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169292197 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169292198 KK Annotated Anodyne O[C@@H]1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@@H]1CC4)[C@H]23 ZINC000169292199 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169292201 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169292202 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169292203 KK Annotated Anodyne CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)[C@@H]1C(Cl)=CC=C[C@@H]21)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000169292234 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4c(F)cccc4F)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169292244 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C/C=C(\C)c4ccc(C)c(=O)o4)[C@@]3(C)CC[C@H]2C1(C)C ZINC000169292251 KK Annotated Mild CCNC(=S)Nc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169292253 KK Annotated Anodyne O=C1CCCN2[C@H]3[C@]45C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]6CCN(CCCC/C=C/CC4)C[C@@]63C[C@]2(CC1)O5 ZINC000169292279 KK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1Cl ZINC000169292303 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3CC(C)C)cc1 ZINC000169292304 KK Annotated Anodyne in-man COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169292313 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169292316 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169292317 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000169292318 KK Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000169292345 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000169292346 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000169292347 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000169292348 KK Annotated Anodyne in-man C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCC[C@@H]3C)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C ZINC000169292355 KK Annotated Mild in-man C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(CO)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169292358 KK Annotated Reactive C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169292371 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169292372 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169292373 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169292374 KK Annotated Mild CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@]5(OC(=O)N(CCCl)C5=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169292386 KK Annotated Reactive in-man CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N4)O6 ZINC000169292425 KK Annotated Bother CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N4)O6 ZINC000169292427 KK Annotated Bother CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N4)O6 ZINC000169292428 KK Annotated Bother CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N4)O6 ZINC000169292429 KK Annotated Bother CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292441 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292442 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292443 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169292444 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)OC ZINC000169292455 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)c(CCC(=O)OCCO)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000169292456 KK Annotated Bother in-man CCCC(=O)OC[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C\[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1OC(=O)CCC)C3(C)C ZINC000169292457 KK Annotated Mild CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(\C)C(=O)N2)O4 ZINC000169292459 KK Annotated Mild in-man CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169292460 KK Annotated Mild in-man CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169292461 KK Annotated Mild in-man CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169292464 KK Annotated Mild in-man C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC ZINC000169292477 KK Annotated Mild C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000169292478 KK Annotated Mild CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)C(=O)C3=C(O)COC3=O)CO)O2)O1 ZINC000169292495 KK Annotated Mild in-man CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)C(=O)C3=C(O)COC3=O)CO)O2)O1 ZINC000169292496 KK Annotated Mild in-man CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccc(F)cc9F)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169292501 KK Annotated Anodyne CC[C@@H]1/C=C\C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000169292511 KK Annotated Anodyne in-man CC[C@@H]1/C=C/C=C\C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000169292512 KK Annotated Anodyne in-man CC[C@@H]1/C=C\C=C\C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000169292513 KK Annotated Anodyne in-man CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)/C=C\C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000169292514 KK Annotated Anodyne in-man C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC ZINC000169292568 KK Annotated Mild C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000169292569 KK Annotated Mild CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169292589 KK Annotated Mild in-man CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169292590 KK Annotated Mild in-man CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169292591 KK Annotated Mild in-man CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169292592 KK Annotated Mild in-man CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)OC)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169292681 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1C)O2 ZINC000169292704 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1C)O2 ZINC000169292705 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1C)O2 ZINC000169292706 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@H]1C)O2 ZINC000169292707 KK Annotated Anodyne CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169292732 KK Annotated Anodyne in-man CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169292733 KK Annotated Anodyne in-man CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169292734 KK Annotated Anodyne in-man CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169292735 KK Annotated Anodyne in-man C=C1CCCC2=NC[C@@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@]4(O[C@H](CC[C@@H]4O)C1)O3)O2 ZINC000169292749 KK Annotated Mild C=C1CCCC2=NC[C@@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@]4(O[C@H](CC[C@@H]4O)C1)O3)O2 ZINC000169292750 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@]4(O[C@H](CC[C@@H]4O)C1)O3)O2 ZINC000169292751 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@]4(O[C@H](CC[C@@H]4O)C1)O3)O2 ZINC000169292752 KK Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)[C@H](OCCc4ccc(N(C)S(C)(=O)=O)cc4)[C@@H](C)/C=C\C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169292766 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)[C@H](OCCc4ccc(N(C)S(C)(=O)=O)cc4)[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169292767 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)[C@H](OCCc4ccc(N(C)S(C)(=O)=O)cc4)[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169292768 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)[C@H](OCCc4ccc(N(C)S(C)(=O)=O)cc4)[C@@H](C)/C=C/C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169292769 KK Annotated Anodyne in-man CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OCCc3ccc(N(C)S(C)(=O)=O)cc3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169292770 KK Annotated Anodyne in-man CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OCCc3ccc(N(C)S(C)(=O)=O)cc3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169292771 KK Annotated Anodyne in-man CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OCCc3ccc(N(C)S(C)(=O)=O)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169292772 KK Annotated Anodyne in-man CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OCCc3ccc(N(C)S(C)(=O)=O)cc3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169292773 KK Annotated Anodyne in-man CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N[C@@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000169292820 KK Annotated Anodyne CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N[C@@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000169292821 KK Annotated Anodyne CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@H]1C(=O)N[C@@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000169292823 KK Annotated Anodyne CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@H]1C(=O)N[C@@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000169292825 KK Annotated Anodyne CC(=O)OCC/C1=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(\CCOC(C)=O)SS1 ZINC000169292838 KK Annotated Reactive CC(=O)OCC/C1=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(\CCOC(C)=O)SS1 ZINC000169292839 KK Annotated Reactive COc1ccc(Cc2cccc([C@@H]3S[C@@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1S[C@@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000169292878 KK Annotated Anodyne COc1ccc(Cc2cccc([C@@H]3S[C@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1S[C@@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000169292879 KK Annotated Anodyne COc1ccc(Cc2cccc([C@H]3S[C@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1S[C@@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000169292880 KK Annotated Anodyne O=C1/C(=C/c2cccc3ccccc23)CN2C[C@]13[C@@H](c1cccc4ccccc14)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000169293045 KK Annotated Mild C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@@H](C)[C@]6(OC[C@]45C(=O)C[C@]3(O)[C@@]1(C)C8)OC(C)(C)C[C@H]6O)OC(C)(C)C[C@@H]2O ZINC000169293046 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@@H](C)[C@]6(OC[C@]45C(=O)C[C@]3(O)[C@@]1(C)C8)OC(C)(C)C[C@H]6O)OC(C)(C)C[C@H]2O ZINC000169293047 KK Annotated Anodyne C[C@@H]1[C@]2(CC[C@](C)(O)CO2)O[C@H]2C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@]21O)C[C@@H]1CC[C@H]2C3=CC[C@@H]4[C@@H](C)[C@]5(OC[C@]34C(=O)C[C@]2(O)[C@@]1(C)C7)OC(C)(C)C[C@H]5O ZINC000169293048 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1Cc1ccccc1)C2 ZINC000169293067 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1Cc1ccccc1)C2 ZINC000169293068 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)c1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169293086 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)c1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169293087 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000169293092 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OCCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169293141 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OCCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169293142 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000169293172 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000169293173 KK Annotated Mild CC[N+]1(CC)C[C@]23C4=C5[C@@H]6C7=C8C9=C%10c%11c(c%12c%13c%14c%11[C@H]%11c%15c%16c%17c%18c%19c%20c%21c%22c%18c%18c%23c-%22c%22c%24c(c4c4c%25c%24c%23c%23c=%25c(c%13c%13c(c%15%14)c%17c%18c%23%13)[C@H]%12[C@H]42)[C@]24C[N+](C)(C)C[C@]52C7=C([C@H]%21[C@H]%224)[C@H]%20[C@]8(C1)[C@@H]([C@H]9%11)[C@H]%19%16)[C@@H]3[C@@H]%106 ZINC000169293210 KK Annotated Bother CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c%16c%17c%18c%14c%14c9c%12c9c%12c%11c%11c%19c%20c%21c%22c%23c%24c%25c%21c%21c(c=%18c%14c9c%21c%20%12)[C@H]%25[C@H]%17[C@]9(C1)C%16=C([C@H]5[C@H](C%23=C4[C@H]([C@@H]%22%19)[C@H]2[C@H]%10%11)[C@@H]%249)[C@]61C[N+](C)(C)C[C@@]%151[C@@H]%138)[C@@H]73 ZINC000169293212 KK Annotated Bother CC[N+]1(CC)C[C@]23C4=C5[C@@H]6C7=C8C9=C%10c%11c(c%12c%13c%14c%11[C@H]%11c%15c%16c%17c%18c%19c%20c%21c%22c%18c%18c%23c-%22c%22c%24c(c4c4c%25c%24c%23c%23c=%25c(c%13c%13c(c%15%14)c%17c%18c%23%13)[C@H]%12[C@H]42)[C@]24C[N+](C)(C)C[C@]52C7=C([C@@H]%21[C@H]%224)[C@H]%20[C@]8(C1)[C@@H]([C@H]9%11)[C@H]%19%16)[C@@H]3[C@@H]%106 ZINC000169293213 KK Annotated Bother CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c%16c%17c%18c%14c%14c9c%12c9c%12c%11c%11c%19c%20c%21c%22c%23c%24c%25c%21c%21c(c=%18c%14c9c%21c%20%12)[C@H]%25[C@H]%17[C@]9(C1)C%16=C([C@H]5[C@H](C%23=C4[C@H]([C@@H]%22%19)[C@H]2[C@H]%10%11)[C@@H]%249)[C@]61C[N+](C)(C)C[C@@]%151[C@@H]%138)[C@@H]73 ZINC000169293214 KK Annotated Bother CO[C@]1([C@@H]2CSC(=O)N2C2CCCC2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293244 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C2CCCC2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293245 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(Cl)c3Cl)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000169293257 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000169293261 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000169293262 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000169293263 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C(=O)c2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293272 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C(=O)c2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293273 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H]3C[C@H](c4ccccc4)N(S(=O)(=O)c4ccc(Cl)cc4)C[C@H]3C(=O)C[C@@H]2c2ccccc2)cc1 ZINC000169293406 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@@H](c4ccccc4)C[C@@H]32)cc1 ZINC000169293407 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2Cc2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169293437 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2Cc2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000169293438 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc(Cl)c3)C[C@@H]2N[C@@H](c2ccccc2)C1 ZINC000169293444 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N[C@@H](c2ccccc2)C1 ZINC000169293445 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)C6=C(C[C@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000169293497 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)C6=C(C[C@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000169293499 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)C6=C(C[C@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000169293500 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)C6=C(C[C@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000169293501 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000169293552 KK Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(-c5nccs5)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169293627 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000169293633 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000169293635 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2O[C@H](COC(=O)CCC(=O)CCCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000169293650 KK Annotated Anodyne CCN1C[C@]2(COC)CC[C@H](OC)[C@]34[C@@H]1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(=O)c2cccc3cc5ccccc5cc23)C=C[C@@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 ZINC000169293707 KK Annotated Bother CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(N=[N+]=[N-])cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169293711 KK Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1C1=CCC(=O)N4c5ccccc5[C@@]3(C[C@@H]2C2=C[C@@H]3[C@@H]5N(C2=O)c2ccccc2[C@@]52CCN5C/C(=C/C)[C@@H]3C[C@H]52)[C@H]14 ZINC000169293801 KK Annotated Anodyne CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(-c4ccccc4)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169293807 KK Annotated Anodyne CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(SC)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169293845 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)c5ccccc5OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169293874 KK Annotated Anodyne C[C@H]1c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@H](C)c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@@H](C)c2cc1c1c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO1 ZINC000169293897 KK Annotated Clean C[C@H]1c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@@H](C)c2cc(c3c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO3)[C@@H](C)c2cc1c1c(c2O)CN(C2CC(C)(C)N(O)C(C)(C)C2)CO1 ZINC000169293898 KK Annotated Clean C#Cc1cccc(N[C@@H]2C[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@@H](O)C[C@@H]2O)c1 ZINC000169293907 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@@H](O)C[C@@H]2O)c1 ZINC000169293909 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@@H](O)C[C@@H]2O)c1 ZINC000169293911 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@@H](O)C[C@@H]2O)c1 ZINC000169293912 KK Annotated Mild O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169293940 KK Annotated Anodyne C#Cc1cccc(N[C@@H]2C[C@@H](O)[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000169293941 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@@H](O)[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000169293942 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@H](O)[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000169293943 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](O)[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000169293944 KK Annotated Mild CC[C@@H](C(=O)O)[C@@H]1CC[C@H](C)[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000169293948 KK Annotated Anodyne CC[C@@H](C(=O)O)[C@H]1CC[C@H](C)[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000169293949 KK Annotated Anodyne CC[C@@H](C(=O)O)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000169293951 KK Annotated Anodyne N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCCN(C(=O)[C@@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C/c5ccccc5)CC4)CC3)cc2)cc1 ZINC000169294088 KK Annotated Mild CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)/C(C)=C\CCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C\[C@H](C)C[C@H]1C ZINC000169294110 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C\[C@H](C)C[C@H]1C ZINC000169294111 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)/C(C)=C\CCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000169294112 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000169294113 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000169294136 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000169294137 KK Annotated Anodyne C/C(=C\CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169294157 KK Annotated Mild C/C(=C\CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169294159 KK Annotated Mild C/C(=C\CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169294160 KK Annotated Mild OC(/C=C\c1ccc(Cl)c(Cl)c1)=N\CCCCCN1CCC[C@@H](CCC/N=C(\O)[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000169294163 KK Annotated Mild COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C/3C)O4 ZINC000169294164 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C\3C)O4 ZINC000169294165 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C\3C)O4 ZINC000169294166 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C/3C)O4 ZINC000169294167 KK Annotated Anodyne O=c1oc2cc(O)c1-c1cc(O)c(O)cc1/C=C\c1cc3c(c(=O)o1)[C@H](c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1/C=C\c1cc4c(c(=O)o1)[C@H]2[C@@H](c1ccc(O)c(O)c1)O4)[C@@H](c1ccc(O)c(O)c1)O3 ZINC000169294196 KK Annotated Clean O=c1oc2cc(O)c1-c1cc(O)c(O)cc1/C=C\c1cc3c(c(=O)o1)[C@H](c1cc(O)c(c(=O)o1)-c1cc(O)c(O)cc1/C=C/c1cc4c(c(=O)o1)[C@H]2[C@@H](c1ccc(O)c(O)c1)O4)[C@@H](c1ccc(O)c(O)c1)O3 ZINC000169294197 KK Annotated Clean CCc1ccc([C@@H]2C[C@@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](O)C[C@@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169294217 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H](O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](c4ccc(CC)cc4)C[C@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169294218 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H](O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](c4ccc(CC)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169294219 KK Annotated Anodyne CO[C@@H]1C[C@@H](O[C@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@H]3C=C(C)/C(=N/O)[C@@H]4OC/C(=C\C=C/[C@@H]2C)[C@]34O)O[C@H](C)[C@@H]1O ZINC000169294273 KK Annotated Mild CO[C@@H]1C[C@@H](O[C@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@H]3C=C(C)/C(=N/O)[C@@H]4OC/C(=C/C=C\[C@@H]2C)[C@]34O)O[C@H](C)[C@@H]1O ZINC000169294274 KK Annotated Mild CO[C@@H]1C[C@@H](O[C@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@H]3C=C(C)/C(=N/O)[C@@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)O[C@H](C)[C@@H]1O ZINC000169294275 KK Annotated Mild CO[C@@H]1C[C@@H](O[C@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@H]3C=C(C)/C(=N/O)[C@@H]4OC/C(=C/C=C/[C@@H]2C)[C@]34O)O[C@H](C)[C@@H]1O ZINC000169294276 KK Annotated Mild C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169294308 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169294309 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169294310 KK Annotated Anodyne C[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169294311 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4c(I)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294389 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](COC(=O)c2ccccc2)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C\[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000169294391 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)CC[C@@H]2CC[C@]3(COC[C@]4(O[C@H]1CC[C@@]4(C)O)[C@@H]3O)O2 ZINC000169294406 KK Annotated Mild CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294420 KK Annotated Anodyne CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294421 KK Annotated Anodyne CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294422 KK Annotated Anodyne CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294423 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169294427 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169294429 KK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169294431 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169294432 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)Cc5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294445 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccc6c(c5)OCO6)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294449 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccccc5Cl)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294517 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)c5ccco5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294539 KK Annotated Anodyne O=C(C[C@@H]1C/C=C\C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000169294540 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CC[C@@H](C(F)(F)F)N(c3cc(F)cc(C(F)(F)F)c3)C2)c1 ZINC000169294556 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CC[C@@H](C(F)(F)F)N(c3cc(F)cc(C(F)(F)F)c3)C2)c1 ZINC000169294557 KK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@@H](C(F)(F)F)N(c3cc(F)cc(C(F)(F)F)c3)C2)c1 ZINC000169294558 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@@H](C(F)(F)F)N(c3cc(F)cc(C(F)(F)F)c3)C2)c1 ZINC000169294559 KK Annotated Mild COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000169294577 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000169294578 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000169294579 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000169294580 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294591 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294592 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294593 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294594 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000169294603 KK Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(=O)c3ccccc3)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000169294632 KK Annotated Mild N#Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)N(C3CCCCC3)[C@H](C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000169294633 KK Annotated Mild C1=C\Cc2ccc[n+](c2)CCCCCCCC/C=C/Cc2ccc[n+](c2)CCCCCCCC/C=C\Cc2ccc[n+](c2)CCCCCCCC/1 ZINC000169294646 KK Annotated Anodyne C1=C\Cc2ccc[n+](c2)CCCCCCCC/C=C/Cc2ccc[n+](c2)CCCCCCCC/C=C/Cc2ccc[n+](c2)CCCCCCCC/1 ZINC000169294647 KK Annotated Anodyne NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C(=O)NC2CCN(C/C4=C\CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000169294655 KK Annotated Anodyne NC[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C(=O)NC2CCN(C/C4=C\CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000169294656 KK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294659 KK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294660 KK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169294661 KK Annotated Anodyne CCCCCCCCCCN1C(=O)[C@@H]2[C@@H](CCCCNC(C)=O)N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]2C1=O ZINC000169294684 KK Annotated Mild CCCCCCCCCCN1C(=O)[C@H]2[C@@H](CCCCNC(C)=O)N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]2C1=O ZINC000169294685 KK Annotated Mild CCCCCCCCCCN1C(=O)[C@@H]2[C@H](CCCCNC(C)=O)N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]2C1=O ZINC000169294686 KK Annotated Mild CCCCCCCCCCN1C(=O)[C@H]2[C@H](CCCCNC(C)=O)N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]2C1=O ZINC000169294687 KK Annotated Mild CC1(C)[C@H]2CC[C@@]1(C)CN(C[C@@H](O)Cn1c3ccccc3c3cc(I)ccc31)C2 ZINC000169294691 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)CN(C[C@@H](O)Cn1c3ccccc3c3cc(I)ccc31)C2 ZINC000169294692 KK Annotated Anodyne C=C1[C@@H]([C@@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000169294735 KK Annotated Mild C=C1[C@H]([C@@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000169294736 KK Annotated Mild C=C1[C@@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000169294737 KK Annotated Mild C=C1[C@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000169294738 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4c(Br)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294824 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(I)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294825 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(Br)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294829 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169294833 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169294834 KK Annotated Reactive CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)c5ccccc5F)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294838 KK Annotated Anodyne OC(/C=C\c1ccc(Cl)c(Cl)c1)=N\CCCCCN1CCC[C@@H](CCC/N=C(\O)c2ccc3c(c2)OCO3)C1 ZINC000169294845 KK Annotated Mild CC1=C[C@@H](OP(=O)(O)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=C\C1=C(C)C[C@@H](OP(=O)(O)O)CC1(C)C ZINC000169294846 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C\C1=C(C)C[C@H](OP(=O)(O)O)CC1(C)C ZINC000169294847 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C\C1=C(C)C[C@@H](OP(=O)(O)O)CC1(C)C ZINC000169294848 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C\C1=C(C)C[C@H](OP(=O)(O)O)CC1(C)C ZINC000169294849 KK Annotated Bother CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)c5cccc(OC)c5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294859 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)c5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294935 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc6[nH]c(cc1n2)c(C)c6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)OCCC#C[C@]1(O)CC[C@H]2[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]21C)[C@@H]3C ZINC000169294941 KK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C(F)(F)F)N2C)c1 ZINC000169294948 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@@H](C(F)(F)F)N2C)c1 ZINC000169294949 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C(F)(F)F)N2C)c1 ZINC000169294950 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@@H](C(F)(F)F)N2C)c1 ZINC000169294951 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)c5ccccc5OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169294997 KK Annotated Anodyne CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169295087 KK Annotated Anodyne CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169295088 KK Annotated Anodyne CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169295089 KK Annotated Anodyne CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000169295090 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C ZINC000169295114 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C\C1(C)C ZINC000169295115 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000169295116 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)c5ccc(C)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169295157 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C/C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000169295189 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000169295225 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000169295226 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000169295227 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000169295228 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@@]2(C=C[C@@H](O)[C@@]3(CC[C@@](C)([C@@H]4CC[C@@](O)(CC)[C@@H](C)O4)O3)O2)[C@@H](C)C[C@@H]1C ZINC000169295271 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](CC)[C@@H]2O[C@@]3(C=C[C@@H](O)[C@@]4(CC[C@@](C)([C@@H]5CC[C@@](O)(CC)[C@@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C ZINC000169295272 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@H]([C@@H](CC)C(=O)O)[C@@H](C)C[C@@H]1C)[C@@H]1O[C@@]2(C=C[C@@H](O)[C@@]3(CC[C@@](C)([C@@H]4CC[C@@](O)(CC)[C@@H](C)O4)O3)O2)[C@@H](C)C[C@@H]1C ZINC000169295273 KK Annotated Anodyne CC[C@H](C(=O)O)[C@H]1O[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](CC)[C@@H]2O[C@@]3(C=C[C@@H](O)[C@@]4(CC[C@@](C)([C@@H]5CC[C@@](O)(CC)[C@@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C ZINC000169295274 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](O)CC/C(C)=C\[C@@H]12 ZINC000169295293 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](O)CC/C(C)=C/[C@@H]12 ZINC000169295294 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](O)CC/C(C)=C\[C@@H]12 ZINC000169295295 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](O)CC/C(C)=C/[C@@H]12 ZINC000169295296 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)C1[C@@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000169295436 KK Annotated Mild CC(=O)NC1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169295445 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169295446 KK Annotated Anodyne ON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000169295447 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3C)N[C@H](c3ccccc3C)C1[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000169295448 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169295455 KK Annotated Mild C=C1[C@@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](/C=C(/C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000169295476 KK Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)C3C(=NO)C2[C@@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169295505 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)C1[C@@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 ZINC000169295511 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@]13O2 ZINC000169295542 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1C=CC[C@@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@]13O2 ZINC000169295543 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@@]31O2 ZINC000169295544 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)C1[C@@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000169295552 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)C1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000169295553 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)C1[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169295554 KK Annotated Mild Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000169295559 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)CN3C[C@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000169295561 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CN3C[C@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000169295563 KK Annotated Anodyne CON=C1C2[C@@H](c3ccccc3OC)N[C@H](c3ccccc3OC)C1[C@@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000169295565 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000169295570 KK Annotated Mild CON=C1C2[C@@H](c3cccc(OC)c3)N[C@H](c3cccc(OC)c3)C1[C@@H](c1cccc(OC)c1)N[C@@H]2c1cccc(OC)c1 ZINC000169295604 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)C1[C@H](c1cccc(Oc3ccccc3)c1)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000169295612 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)C1[C@@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000169295613 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(=O)NCCCNC(=O)c1ccc(C2(C(F)(F)F)N=N2)cc1)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000169295657 KK Annotated Anodyne O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O ZINC000169295671 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000169295683 KK Annotated Mild CC(=O)OC[C@@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC(C)=O ZINC000169295684 KK Annotated Anodyne CC(=O)OC[C@@H]1[C@@H]2CC[C@H]3[C@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC(C)=O ZINC000169295685 KK Annotated Anodyne CC(=O)OC[C@@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC(C)=O ZINC000169295687 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000169295727 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000169295728 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000169295729 KK Annotated Anodyne ON=C1C2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000169295742 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)C1[C@H](c1cccc(Br)c1)N[C@H]2c1cccc(Br)c1 ZINC000169295743 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)C1[C@@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000169295744 KK Annotated Mild CN(CCN(C)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000169295751 KK Annotated Mild C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@@H]54)[C@H]69 ZINC000169295762 KK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2)s1 ZINC000169295767 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2)s1 ZINC000169295768 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2)s1 ZINC000169295770 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2)s1 ZINC000169295772 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2O)s1 ZINC000169295774 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2O)s1 ZINC000169295775 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2O)s1 ZINC000169295776 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2O)s1 ZINC000169295778 KK Annotated Anodyne CON=C1C2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000169295792 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000169295794 KK Annotated Mild ON=C1C2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000169295832 KK Annotated Mild ON=C1C2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)C1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000169295836 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)C1[C@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1 ZINC000169295850 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)C1[C@@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000169295851 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000169295862 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000169295863 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@H](c1ccccc1F)N[C@H]2c1ccccc1F ZINC000169295878 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000169295879 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000169295881 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000169295882 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000169295883 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000169295884 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000169295885 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000169295886 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169295910 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169295911 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169295912 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169295913 KK Annotated Anodyne ON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)C1[C@@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000169295919 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)C3C(=NO)C2[C@@H](c2ccc(OCC=C)cc2)N[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000169295924 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000169295929 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000169295930 KK Annotated Mild CON=C1C2[C@@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)C1[C@@H](c1ccc(OC)cc1)N[C@@H]2c1ccc(OC)cc1 ZINC000169295931 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)C2C(=NOC)C1[C@@H](c1ccccc1OCC)N[C@@H]2c1ccccc1OCC ZINC000169295932 KK Annotated Mild C[C@H]1C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000169295933 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000169295934 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000169295935 KK Annotated Anodyne CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)C2C(=NO)C1[C@@H](c1ccccc1OCC)N[C@@H]2c1ccccc1OCC ZINC000169295959 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)C3C(=NO)C2[C@@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000169295960 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)C3C(=NOC)C2[C@@H](c2ccc(CC)cc2)N[C@@H]3c2ccc(CC)cc2)cc1 ZINC000169295966 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000169295977 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)C3C(=NO)C2[C@@H](c2ccc(OCCC)cc2)N[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000169295987 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(=O)NCCCCNC(=O)c1ccc(N=[N+]=[N-])cc1)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000169295994 KK Annotated Mild CN(CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@@H](O)c1ccc(C(F)(F)F)c2nc(C(F)(F)F)ccc12 ZINC000169295995 KK Annotated Mild CN(CCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@@H](O)c1ccc(C(F)(F)F)c2nc(C(F)(F)F)ccc12 ZINC000169295996 KK Annotated Mild Cc1ccccc1[C@H]1N[C@H](c2ccccc2C)C2C(=NO)C1[C@@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000169296016 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC[C@@H](O)CCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000169296027 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC[C@H](O)CCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000169296029 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccccc2)N(C(=O)CC)[C@@H]1c1ccccc1 ZINC000169296064 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccccc2)N(C(=O)CC)[C@@H]1c1ccccc1 ZINC000169296065 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2)N(C(=O)CC)[C@@H]1c1ccccc1 ZINC000169296066 KK Annotated Anodyne CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCCC)cc2)N[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000169296067 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@H](c3ccc(OCCCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCCCC)cc2)N[C@@H]3c2ccc(OCCCC)cc2)cc1 ZINC000169296068 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169296072 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169296073 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169296074 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169296075 KK Annotated Bother CC[C@H]1C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000169296132 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000169296133 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000169296134 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000169296147 KK Annotated Bother CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000169296148 KK Annotated Bother CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000169296149 KK Annotated Bother CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000169296150 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CC8)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169296163 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CC8)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169296164 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CC8)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169296165 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CC8)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169296166 KK Annotated Bother CC[C@]1(NC(=O)Oc2ccc([N+](=O)[O-])cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296196 KK Annotated Reactive CON=C1C2[C@@H](c3ccc(SC)cc3)N[C@H](c3ccc(SC)cc3)C1[C@H](c1ccc(SC)cc1)N[C@H]2c1ccc(SC)cc1 ZINC000169296209 KK Annotated Mild CON=C1C2[C@@H](c3ccc(SC)cc3)N[C@H](c3ccc(SC)cc3)C1[C@@H](c1ccc(SC)cc1)N[C@@H]2c1ccc(SC)cc1 ZINC000169296210 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C(C)C)cc3)N[C@H](c3ccc(C(C)C)cc3)C1[C@@H](c1ccc(C(C)C)cc1)N[C@@H]2c1ccc(C(C)C)cc1 ZINC000169296211 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)C3C(=NOC)C2[C@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000169296220 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCC=C)cc2)N[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000169296221 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2cccc(OC)c2)N(C(=O)CC)[C@@H]1c1cccc(OC)c1 ZINC000169296222 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2cccc(OC)c2)N(C(=O)CC)[C@@H]1c1cccc(OC)c1 ZINC000169296223 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2cccc(OC)c2)N(C(=O)CC)[C@@H]1c1cccc(OC)c1 ZINC000169296225 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(OC)cc2)N(C(=O)CC)[C@@H]1c1ccc(OC)cc1 ZINC000169296226 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(OC)cc2)N(C(=O)CC)[C@@H]1c1ccc(OC)cc1 ZINC000169296227 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(OC)cc2)N(C(=O)CC)[C@@H]1c1ccc(OC)cc1 ZINC000169296229 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000169296237 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000169296239 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000169296240 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5cccc(Cl)c5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296268 KK Annotated Anodyne CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)C3C(=NO)C2[C@@H](c2ccc(CC)cc2)N[C@@H]3c2ccc(CC)cc2)cc1 ZINC000169296274 KK Annotated Mild CCC(=O)N(C1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000169296280 KK Annotated Anodyne CCC(=O)N(C1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000169296281 KK Annotated Anodyne CCC(=O)N(C1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000169296282 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296283 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1 ZINC000169296295 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1 ZINC000169296296 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1 ZINC000169296297 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1 ZINC000169296298 KK Annotated Anodyne CC(C)c1ccc([C@H]2N[C@H](c3ccc(C(C)C)cc3)C3C(=NO)C2[C@@H](c2ccc(C(C)C)cc2)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000169296345 KK Annotated Mild CON=C1C2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)C1[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000169296348 KK Annotated Mild CON=C1C2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)C1[C@@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000169296351 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000169296353 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000169296355 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000169296357 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169296358 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169296359 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000169296360 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccccc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296361 KK Annotated Anodyne COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)C2C(=NO)C1[C@@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000169296362 KK Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)C3C(=NO)C2[C@@H](c2cccc(OC)c2)N[C@@H]3c2cccc(OC)c2)c1 ZINC000169296363 KK Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)C3C(=NO)C2[C@@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000169296366 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(=O)/C(C)=C/C)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C ZINC000169296386 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H]([C@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(=O)/C(C)=C/C)[C@]3(/C=C(/C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C ZINC000169296387 KK Annotated Anodyne COC[C@@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(OC)cc5)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000169296394 KK Annotated Anodyne COC[C@@H]1[C@@H]2CC[C@H]3[C@H](OCc4ccc(OC)cc4)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC ZINC000169296395 KK Annotated Anodyne COC[C@@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(OC)cc5)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000169296396 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000169296398 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000169296399 KK Annotated Mild C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000169296400 KK Annotated Mild C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000169296401 KK Annotated Mild CSc1ccc([C@H]2N[C@H](c3ccc(SC)cc3)C3C(=NO)C2[C@@H](c2ccc(SC)cc2)N[C@@H]3c2ccc(SC)cc2)cc1 ZINC000169296402 KK Annotated Mild CC[C@]1(NC(=O)NCc2ccco2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296409 KK Annotated Anodyne CC[C@]1(NC(=O)NC(C)(C)C)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296411 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccccc2OC)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296414 KK Annotated Anodyne CC[C@]1(NC(=O)NCCc2ccccc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296429 KK Annotated Anodyne CCCCNC(=O)N[C@@]1(CC)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296434 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(COC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169296435 KK Annotated Reactive CC[C@]1(NC(=S)Nc2ccccc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296460 KK Annotated Anodyne CCN(CC)C(=O)N[C@@]1(CC)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296466 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000169296467 KK Annotated Mild CC[C@]1(NC(=O)NCc2ccccc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296488 KK Annotated Anodyne CC[C@]1(NC(=S)NC2CCCCC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296490 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169296500 KK Annotated Anodyne Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@@H](C3)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C5)C4)CC2)nc1 ZINC000169296549 KK Annotated Mild Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@H]5C[C@H](C3)CC(C(F)(F)[C@@H](F)C(F)(F)F)(C5)C4)CC2)nc1 ZINC000169296550 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccc([N+](=O)[O-])cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296551 KK Annotated Bother C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@H]2O[C@@]3(C[C@H]2C)O[C@@H](CC[C@@]3(C)O)C1 ZINC000169296557 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@@]3(C[C@H]2C)O[C@@H](CC[C@@]3(C)O)C1 ZINC000169296558 KK Annotated Mild CC(=O)NC1=NN(C(C)=O)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000169296584 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000169296585 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccc(Cl)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296586 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)CC[C@@]23CCC([C@@H]2C[C@@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000169296588 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000169296589 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000169296590 KK Annotated Mild CC[C@]1(NC(=S)NCCc2ccc(F)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296593 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccc(OC)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296626 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccc(F)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296655 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2ccc(C)cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296673 KK Annotated Anodyne CC[C@]1(NC(=O)Nc2cccc(OC)c2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296715 KK Annotated Anodyne CC[C@H](C)C[C@@H](C)C[C@@H](C)C(=O)/C=C(/O)[C@@H](C)C[C@@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CCC(C)(C)O1 ZINC000169296750 KK Annotated Mild CC[C@H](C)C[C@H](C)C[C@@H](C)C(=O)/C=C(/O)[C@@H](C)C[C@@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CCC(C)(C)O1 ZINC000169296751 KK Annotated Mild C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CN4C[C@H](C)C[C@@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000169296752 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@H](O)CN4C[C@@H](C)C[C@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000169296754 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CC(N(C)C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296779 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CC(N(C)C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296780 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CC(N(C)C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296781 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CC(N(C)C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296782 KK Annotated Bother CC[C@]1(NC(=O)N2CCCCC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296784 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(N(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296793 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(N(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296794 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(N(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296795 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(N(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296796 KK Annotated Bother CC[C@]1(NC(=O)NC2CCCCC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296797 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)C(C)C ZINC000169296798 KK Annotated Anodyne C=CC[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC ZINC000169296799 KK Annotated Mild CCOP(=O)(OCC)[C@H](Cc1ccccc1)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169296800 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Cc1ccccc1)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169296801 KK Annotated Anodyne CON=C1C2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000169296822 KK Annotated Mild CON=C1C2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000169296823 KK Annotated Mild CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169296844 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)C[C@@H]2C=C(CC)CN(CCc3c1[nH]c1ccccc31)C2 ZINC000169296845 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C#N)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296847 KK Annotated Mild CCCCC[C@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC ZINC000169296853 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7C[C@@H]8CC[C@@H](C7)N8C)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296895 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7C[C@@H]8CC[C@@H](C7)N8C)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296896 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7C[C@@H]8CC[C@@H](C7)N8C)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296897 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7C[C@@H]8CC[C@@H](C7)N8C)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169296898 KK Annotated Bother C=CC[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC ZINC000169296908 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@@H]1CCC[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169296933 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169296935 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000169296936 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169296998 KK Annotated Anodyne COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(/C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169297045 KK Annotated Mild COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(/C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000169297046 KK Annotated Mild COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(\C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169297047 KK Annotated Mild COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(\C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000169297048 KK Annotated Mild C[C@@H](CCCCCCCCC(=O)CCCCCCCCC[C@@H](O)CO)C(=O)C1=C(O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000169297076 KK Annotated Mild C[C@H](CCCCCCCCC(=O)CCCCCCCCC[C@@H](O)CO)C(=O)C1=C(O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000169297077 KK Annotated Mild C[C@@H](CCCCCCCCC(=O)CCCCCCCCC[C@H](O)CO)C(=O)C1=C(O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000169297079 KK Annotated Mild C[C@H](CCCCCCCCC(=O)CCCCCCCCC[C@H](O)CO)C(=O)C1=C(O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000169297080 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](O)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169297093 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](O)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169297094 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000169297202 KK Annotated Anodyne COc1ccc([C@H]2[C@@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000169297203 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000169297204 KK Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000169297207 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297208 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297209 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297210 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297211 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297212 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297214 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297216 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169297218 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169297259 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169297260 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(/C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)O2 ZINC000169297350 KK 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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000169297427 KK Annotated Bother O=C1[C@@]2(CC[C@@]13[C@@H](c1ccccc1)C(c1ccccc1)=NN3c1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169297435 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@@H](c1ccccc1)C(c1ccccc1)=NN3c1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169297437 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)c3cccc(C(=O)C[C@H]4O[C@@H]5C[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169297441 KK Annotated Reactive COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169297540 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169297541 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169297543 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169297544 KK Annotated Bother COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169297624 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](CC(C)C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169297629 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)C(C)C ZINC000169297667 KK Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](c2ccccc2)C/C=C\Cc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000169297754 KK Annotated Anodyne CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H]5C=CC(=O)[C@]6(COC(=O)CC/C=C/CCC(=O)O5)[C@H]4CC[C@@]32C)OC1=O ZINC000169297790 KK Annotated Mild C=CCCC(=O)OC[C@]12C(=O)C=C[C@H](OC(=O)CCC=C)[C@]13O[C@@H]3C[C@H]1[C@@H]3CC[C@H]([C@H](C)[C@H]4CC(C)=C(COC(C)=O)C(=O)O4)[C@@]3(C)CC[C@@H]12 ZINC000169297791 KK Annotated Mild CC1=C(COC(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)c5ccc(Cl)cc5)C=CC(=O)[C@]6(COC(=O)c5ccc(Cl)cc5)[C@H]4CC[C@@]32C)C1 ZINC000169297798 KK Annotated Mild CC1=C(COC(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)c5ccc(Cl)cc5)C=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1 ZINC000169297799 KK Annotated Mild CC1=C(COC(=O)c2ccc(Cl)cc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(COC(=O)c5ccc(Cl)cc5)[C@H]4CC[C@@]32C)C1 ZINC000169297800 KK Annotated Mild CCC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)CC)C=CC(=O)[C@]6(COC(=O)CC)[C@H]4CC[C@@]32C)OC1=O ZINC000169297802 KK Annotated Mild CC[C@@]1([C@@H]2O[C@@H]([C@@H]3O[C@](O)(CC)[C@@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@@H]([C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000169298035 KK Annotated Anodyne CC[C@@]1([C@H]2O[C@@H]([C@@H]3O[C@](O)(CC)[C@@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@@H]([C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000169298037 KK Annotated Anodyne CC[C@@]1([C@@H]2O[C@H]([C@@H]3O[C@](O)(CC)[C@@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@@H]([C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000169298039 KK Annotated Anodyne CC[C@@]1([C@H]2O[C@H]([C@@H]3O[C@](O)(CC)[C@@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@@H]([C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000169298041 KK Annotated Anodyne C=CCN1/C(=C\CO)[C@H]2C[C@@H]3[C@@H]1CC[C@]31c3ccccc3N3C=C4[C@@H]5C[C@H]6[C@H](CC[C@@]67c6ccccc6N(C=C2[C@H]31)[C@@H]47)N(CC=C)/C5=C/CO ZINC000169298151 KK Annotated Mild COc1ccc([C@@H](CN(C)C)C2(OC(=O)CCC(=O)NC34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)CCCCC2)cc1 ZINC000169298163 KK Annotated Anodyne O=C(O)CN1C[C@@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@H]6c8c5c4c(c-%14c8[C@H]%15[C@@H]%18[C@@H]%206)[C@@H]2[C@H]%13%10)[C@]73[C@@H]1C(=O)O ZINC000169298313 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298318 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298320 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298323 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169298325 KK Annotated Anodyne COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]4[C@H](C[C@@]1(C)[C@@H]3CC[C@@H]2C(C)(C)O)O[C@@]1(C[C@@H](C)C(=O)O1)C[C@H]4C ZINC000169298420 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)/C(C(=O)NC(C)(C)C)=C(/C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298602 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)C[C@H](C(=O)OCc1ccccc1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298605 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)[C@H](C(=O)NCc1ccccc1)[C@H](C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298611 KK Annotated Anodyne CCO[C@H]1C[C@@H](c2ccc(CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]2C[C@@H](c3ccc(CC)cc3)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]12 ZINC000169298620 KK Annotated Anodyne CCOC(=O)/C1=C/N2CC(CC)=C[C@H](C2)C[C@](C(=O)OC)(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)c2[nH]c3ccccc3c2C1 ZINC000169298626 KK Annotated Anodyne CCC1=C[C@@H]2CN(/C=C(/C(=O)OCc3ccccc3)Cc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169298628 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)/C(C(=O)NCc1ccccc1)=C(/C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169298632 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298647 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298648 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298649 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298650 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298651 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298652 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298654 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169298656 KK Annotated Bother COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(/C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169298658 KK Annotated Mild COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(/C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000169298659 KK Annotated Mild COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(\C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000169298660 KK Annotated Mild COC(=O)[C@]12CC(=O)/C=C(/C)CC/C=C(\C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000169298661 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(C)N(C)C(C)(C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169298663 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(C)N(C)C(C)(C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169298665 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(C)N(C)C(C)(C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169298667 KK Annotated Bother CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(C)N(C)C(C)(C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169298669 KK Annotated Bother Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@]23CC[C@]2(C3=O)[C@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169298734 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@]23CC[C@]2(C3=O)[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169298735 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@]23CC[C@@]2(C3=O)[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169298736 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@]23CC[C@@]2(C3=O)[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169298737 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3cccnc3)s1)C2 ZINC000169298747 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3cccnc3)s1)C2 ZINC000169298748 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3cccnc3)s1)C2 ZINC000169298749 KK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3cccnc3)s1)C2 ZINC000169298750 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(Br)cc2)C1 ZINC000169298772 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000169298795 KK Annotated Anodyne CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5c([C@H]6C[C@H]7[C@]8(C(=O)OC)CO[C@H](N(C)[C@H]8Cc8c6[nH]c6ccccc86)[C@@]76O[C@@H]6C)c(OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000169298803 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169298805 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169298808 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169298809 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000169298811 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000169298812 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000169298813 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000169298814 KK Annotated Anodyne CN1CCN(C23CCN(CCCN4CCCCC4)C([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000169298865 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(OC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169298870 KK Annotated Reactive CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000169298894 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(Cl)cc2)s1 ZINC000169298922 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(Cl)cc2)s1 ZINC000169298923 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(Cl)cc2)s1 ZINC000169298924 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(Cl)cc2)s1 ZINC000169298925 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000169298964 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccn3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@H]1CCO ZINC000169298967 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000169298993 KK Annotated Anodyne CC1=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)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169298998 KK 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=C\C(=O)[C@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169298999 KK 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=C\C(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000169299000 KK 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=C\C(=O)[C@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000169299001 KK Annotated Mild CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccncc3)s1)C2 ZINC000169299087 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccncc3)s1)C2 ZINC000169299088 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccncc3)s1)C2 ZINC000169299089 KK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@@H](O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c3ccncc3)s1)C2 ZINC000169299090 KK Annotated Anodyne CC(=O)O[C@H]1CC(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)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000169299114 KK Annotated Mild CCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000169299128 KK Annotated Anodyne O=S(=O)(O)c1ccc2c3nc(nc4[nH]c(nc5nc(nc6[nH]c(n3)c3cc(S(=O)(=O)O)ccc63)c3nc(-c6ccccc6)c(-c6ccccc6)nc53)c3cc(S(=O)(=O)O)ccc43)c2c1 ZINC000169299139 KK Annotated Bother CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 ZINC000169299261 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(O)cc2)s1 ZINC000169299278 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(O)cc2)s1 ZINC000169299280 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(O)cc2)s1 ZINC000169299282 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(O)cc2)s1 ZINC000169299286 KK Annotated Anodyne CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000169299304 KK Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000169299305 KK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000169299307 KK Annotated Reactive COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@](C)(O3)[C@@H](O)CC/C(C)=C\[C@@H]12 ZINC000169299317 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@](C)(O3)[C@@H](O)CC/C(C)=C/[C@@H]12 ZINC000169299318 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@](C)(O3)[C@@H](O)CC/C(C)=C\[C@@H]12 ZINC000169299319 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@](C)(O3)[C@@H](O)CC/C(C)=C/[C@@H]12 ZINC000169299320 KK Annotated Mild O=C1[C@@]2(CC[C@@]13[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169299327 KK Annotated Anodyne O=C1[C@]2(CC[C@@]13[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169299328 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000169299329 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169299330 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169299331 KK Annotated Anodyne COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)C(F)(F)F ZINC000169299380 KK Annotated Reactive COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)C(F)(F)F ZINC000169299381 KK Annotated Reactive COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1ccc(N(C)C)cc1 ZINC000169299387 KK Annotated Reactive COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1ccc(N(C)C)cc1 ZINC000169299388 KK Annotated Reactive COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1cnccn1 ZINC000169299389 KK Annotated Reactive COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1cnccn1 ZINC000169299390 KK Annotated Reactive COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc([N+](=O)[O-])cc1 ZINC000169299392 KK Annotated Reactive COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc([N+](=O)[O-])cc1 ZINC000169299393 KK Annotated Reactive CC[C@H]1C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC)[C@@H]1COC ZINC000169299409 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC)[C@@H]1COC ZINC000169299410 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC)[C@@H]1COC ZINC000169299411 KK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000169299529 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000169299530 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000169299531 KK Annotated Reactive CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccncc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169299565 KK Annotated Anodyne COc1ccc(-c2nnc(SC3=C(Br)C(=O)O[C@@H]3O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)s2)cc1 ZINC000169299716 KK Annotated Anodyne COc1ccc(-c2nnc(SC3=C(Br)C(=O)O[C@@H]3O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)s2)cc1 ZINC000169299718 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169299745 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169299746 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169299747 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169299748 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](C)c2ccccc2)[C@H](O)CO[C@@H]1O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)/C1=C(\C)COC(=O)CCC(C)C ZINC000169299860 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O[C@@H](C)c2ccccc2)[C@H](O)CO[C@@H]1O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)/C1=C(\C)COC(=O)CCC(C)C ZINC000169299861 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)/C2=C(\C)COC(=O)CCC(C)C)OC[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000169299862 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)/C2=C(\C)COC(=O)CCC(C)C)OC[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000169299863 KK Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(CCc3ccccc3C(F)(F)F)CC1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)c2c1c1ccccc1c1ccccc21 ZINC000169299982 KK Annotated Bother O=C1[C@H]2[C@@H](C(=O)N1CCCCN1CCN(CCc3ccccc3C(F)(F)F)CC1)[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)c2c1c1ccccc1c1ccccc21 ZINC000169299983 KK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccncc2)s1 ZINC000169300044 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccncc2)s1 ZINC000169300045 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccncc2)s1 ZINC000169300047 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccncc2)s1 ZINC000169300048 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccncc2)C1 ZINC000169300049 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(I)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300065 KK Annotated Mild CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(I)cc4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169300066 KK Annotated Mild CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000169300067 KK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]21 ZINC000169300069 KK Annotated Mild COc1ccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000169300086 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000169300088 KK Annotated Anodyne Cc1ccc(F)c([C@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000169300090 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000169300091 KK Annotated Anodyne Cc1ccc(F)c([C@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000169300092 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@]23O[C@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@H]6[C@@H]7C[C@@H]([C@@H]6[C@H]52)[C@@H]3[C@@H]74)CC1 ZINC000169300116 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@H]6[C@@H]7C[C@@H]([C@@H]6[C@H]52)[C@@H]3[C@@H]74)CC1 ZINC000169300117 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@@]23O[C@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@H]6[C@@H]7C[C@@H]([C@@H]6[C@H]52)[C@@H]3[C@@H]74)CC1 ZINC000169300118 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000169300119 KK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000169300123 KK Annotated Anodyne CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000169300124 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@]23O[C@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@H]6[C@@H]7C[C@@H]([C@@H]6[C@H]52)[C@@H]3[C@@H]74)CC1 ZINC000169300190 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@H]6[C@@H]7C[C@@H]([C@@H]6[C@H]52)[C@@H]3[C@@H]74)CC1 ZINC000169300191 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@@]23O[C@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@H]6[C@@H]7C[C@@H]([C@@H]6[C@H]52)[C@@H]3[C@@H]74)CC1 ZINC000169300192 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000169300193 KK Annotated Anodyne CCCCCCCOc1c(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC ZINC000169300217 KK Annotated Reactive CCCCCCCOc1c(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC ZINC000169300220 KK Annotated Reactive CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC ZINC000169300222 KK Annotated Reactive CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169300232 KK Annotated Mild CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169300233 KK Annotated Mild O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000169300363 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5[C@@H]6O[C@@]([C@H]1C[C@H]23)([C@@H](OC)N1c2ccccc2[C@]23CCN7C/C(=C/C)[C@H](C[C@H]72)[C@@H]6[C@H]13)[C@H]54 ZINC000169300406 KK Annotated Anodyne C[C@@H]1CC[C@H](C(C)(C)SC2=C(SC(C)(C)[C@@H]3CC[C@@H](C)CC3=O)C(=O)c3ccccc3C2=O)C(=O)C1 ZINC000169300460 KK Annotated Mild COc1cc2c(cc1C[C@H]1[C@@H]3C[C@H]4c5c(c6ccccc6n5C)C[C@@H]([C@@H]3CO[C@]1(C)OC(C)=O)N4C)c1c(n2C)[C@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000169300605 KK Annotated Mild Oc1cc(O)c2c(c1)C/C(Cl)=C/Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)O2 ZINC000169301165 KK Annotated Anodyne Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C/Cc1cc(c(Cl)cc1O)O2 ZINC000169301166 KK Annotated Anodyne Oc1cc(O)c2c(c1)C/C(Cl)=C/Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C/Cc1cc(c(Cl)cc1O)O2 ZINC000169301169 KK Annotated Anodyne CC[C@]1(NC(=O)N2CCC(c3ccccc3)CC2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169301235 KK Annotated Anodyne CC[C@]1(NC(=O)N2Cc3ccccc3C2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169301237 KK Annotated Anodyne CC[C@]1(NC(=O)N2Cc3ccc(OC)cc3C2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169301238 KK Annotated Anodyne C=C1C[C@@H]2C/C=C\C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C\c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/c1coc(C[C@]2(O)C[C@H](OC)C[C@H](CO)O2)n1)[C@@H]3C ZINC000169301255 KK Annotated Mild C=C1C[C@@H]2C/C=C/C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C\c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/c1coc(C[C@]2(O)C[C@H](OC)C[C@H](CO)O2)n1)[C@@H]3C ZINC000169301258 KK Annotated Mild C=C1C[C@@H]2C/C=C/C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C/c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/c1coc(C[C@]2(O)C[C@H](OC)C[C@H](CO)O2)n1)[C@@H]3C ZINC000169301259 KK Annotated Mild CCCCCCCCNC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301286 KK Annotated Mild CCCCCCCCNC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301287 KK Annotated Mild CCCCCCCCNC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301288 KK Annotated Mild CCCCCCCCNC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301289 KK Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[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)[C@@H](OC(=O)OCc2ccccc2)[C@@H]1OC(=O)OCc1ccccc1 ZINC000169301345 KK Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[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)[C@@H](OC(=O)OCc2ccccc2)[C@@H]1OC(=O)OCc1ccccc1 ZINC000169301349 KK Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[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)[C@@H](OC(=O)OCc2ccccc2)[C@@H]1OC(=O)OCc1ccccc1 ZINC000169301351 KK Annotated Mild CCCCCCCCOC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301453 KK Annotated Mild CCCCCCCCOC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301454 KK Annotated Mild CCCCCCCCOC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301455 KK Annotated Mild CCCCCCCCOC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169301456 KK Annotated Mild CCCCCC(=O)O[C@@H]1[C@H](OC[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)O[C@H](C)[C@@H](OC)[C@H]1OC(=O)CCCCC ZINC000169301457 KK Annotated Mild CCCCCC(=O)O[C@@H]1[C@H](OC[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)O[C@H](C)[C@@H](OC)[C@H]1OC(=O)CCCCC ZINC000169301458 KK Annotated Mild CCCCCC(=O)O[C@@H]1[C@H](OC[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)O[C@H](C)[C@@H](OC)[C@H]1OC(=O)CCCCC ZINC000169301459 KK Annotated Mild O=C1CC[C@@H](C(O)(c2ccccc2)c2ccccc2)N1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(N2C(=O)CC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000169301462 KK Annotated Bother CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)CC(=O)[C@@H]4C)[C@]3(C)CC[C@@]2(C)[C@@H]2CC(C)(C)CC[C@]12C ZINC000169301472 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(CO)[C@@H]3CC[C@]4(C)[C@@H](C)C(=O)CC(=O)[C@@H]4[C@]3(C)CC[C@@]2(C)[C@@H]2CC(C)(C)CC[C@]12C ZINC000169301473 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000169301579 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000169301580 KK Annotated Anodyne C[C@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169301676 KK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000169301806 KK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000169301808 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O ZINC000169301817 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O ZINC000169301818 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N(N=O)[C@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301827 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N(N=O)[C@@H](c2cc3ccccc3nc2Cl)[C@@H](C(=O)OCC)S1(=O)=O ZINC000169301828 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cc3ccccc3nc2Cl)N(N=O)[C@@H](c2cc3ccccc3nc2Cl)[C@H](C(=O)OCC)S1(=O)=O ZINC000169301829 KK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]12Cc3c(OC(C)=O)ccc(OC(C)=O)c3C[C@@H]1O2 ZINC000169302030 KK Annotated Mild C/N=C(\S)NCCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)C(F)(F)C(=O)N1CCO[C@@H](CCN)C1 ZINC000169302040 KK Annotated Mild C/N=C(\S)NCCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)[C@@H](O)C(F)(F)C(=O)N1CCO[C@@H](CCN)C1 ZINC000169302041 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169302063 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169302064 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C1=CCC(C(=O)OC)=C(C(=O)OC)[C@]15CC)c(CC)c4CC)c(CC)c3CC ZINC000169302100 KK Annotated Bother CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5[C@@H](OC(C)=O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000169302259 KK Annotated Mild C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](NCCCCCCN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000169302288 KK Annotated Anodyne C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](NCCCCCCN)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000169302289 KK Annotated Anodyne C[C@]12CC/C(=N\Oc3ccc([N+](=O)[O-])cc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21SCCS1 ZINC000169302532 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C ZINC000169302539 KK Annotated Reactive CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)c5ccc(Br)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302554 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)c5ccc(I)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302555 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)Nc5ccc(Br)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302563 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)Nc5ccc(I)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000169302564 KK Annotated Mild CC(=O)[C@@]1(OC(=O)c2ccc(I)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302565 KK Annotated Mild CC(=O)[C@@]1(OC(=O)Nc2ccc(Br)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302573 KK Annotated Mild CC(=O)[C@@]1(OC(=O)Nc2ccc(I)cc2)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169302574 KK Annotated Mild CCO[C@H]1O[C@@H]2[C@H](O)C(C)=C[C@H]3C(=O)O[C@H]4C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C\1[C@@]32O)O[C@@]1(CC[C@H](C)[C@@H](CC)O1)C4 ZINC000169302733 KK Annotated Anodyne CCO[C@@H]1O[C@@H]2[C@H](O)C(C)=C[C@H]3C(=O)O[C@H]4C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C\1[C@@]32O)O[C@@]1(CC[C@H](C)[C@@H](CC)O1)C4 ZINC000169302746 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000169302809 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(Cl)c1 ZINC000169302811 KK Annotated Anodyne O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2cccnc2)cc1 ZINC000169302853 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000169302924 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1 ZINC000169303387 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO ZINC000169303426 KK Annotated Mild C=CCOC(=O)CCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000169303483 KK Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303531 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303533 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303535 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169303536 KK Annotated Anodyne CC[C@]1(NC(=O)N2CCc3ccccc3C2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169303649 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000169303684 KK Annotated Mild COC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000169303689 KK Annotated Anodyne O=C1[C@H]2C3C=CC(c4ccccc4)([C@H]2C(=O)N1c1cccc(Cl)c1)[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=O)[C@@H]31 ZINC000169303752 KK Annotated Anodyne O=C1[C@H]2C3C=CC(c4ccccc4)([C@H]2C(=O)N1c1cccc(Cl)c1)[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=O)[C@H]31 ZINC000169303753 KK Annotated Anodyne O=C1[C@H]2C3C=CC(c4ccccc4)([C@H]2C(=O)N1c1cccc(Cl)c1)[C@H]1C(=O)N(c2cccc(Cl)c2)C(=O)[C@@H]31 ZINC000169303754 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O[C@H]([C@@H](CC)C(=O)O)CC[C@H]1C)[C@@H]1O[C@@]2(C=C[C@@H](O)[C@@]3(CC[C@](C)([C@@H]4CC[C@@](O)(CC)[C@@H](C)O4)O3)O2)[C@@H](C)C[C@@H]1C ZINC000169303895 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1CC[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](CC)[C@@H]2O[C@@]3(C=C[C@@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)O1 ZINC000169303896 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@H]1C)[C@@H]1O[C@@]2(C=C[C@@H](O)[C@@]3(CC[C@](C)([C@@H]4CC[C@@](O)(CC)[C@@H](C)O4)O3)O2)[C@@H](C)C[C@@H]1C ZINC000169303897 KK Annotated Anodyne CC[C@H](C(=O)O)[C@H]1CC[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](CC)[C@@H]2O[C@@]3(C=C[C@@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)O1 ZINC000169303898 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccc(CNc3nc(-c4ccccc4C(F)(F)F)nc4ccsc34)cc2)ccn1 ZINC000169303931 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC(C)=O)[C@@H]1COC(C)=O ZINC000169303965 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC(C)=O)[C@@H]1COC(C)=O ZINC000169303966 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC(C)=O)[C@@H]1COC(C)=O ZINC000169303968 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2Cl)N[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304018 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2Cl)N[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304019 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304021 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304023 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccccc1 ZINC000169304065 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccccc1 ZINC000169304066 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304089 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304091 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304093 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304096 KK Annotated Anodyne C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000169304107 KK Annotated Mild CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169304131 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169304133 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169304134 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169304135 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304160 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304161 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304162 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000169304213 KK Annotated Mild O=[N+]([O-])c1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169304263 KK Annotated Bother O=[N+]([O-])c1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169304265 KK Annotated Bother O=[N+]([O-])c1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169304267 KK Annotated Bother C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169304275 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169304277 KK Annotated Anodyne CC[C@H](C)[C@@H]1C=CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1 ZINC000169304314 KK Annotated Anodyne O=[N+]([O-])c1ccc([C@H]2O[C@@H]3C(c4ccc(Cl)cc4)=Nc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000169304317 KK Annotated Bother O=[N+]([O-])c1ccc([C@H]2O[C@H]3C(c4ccc(Cl)cc4)=Nc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000169304319 KK Annotated Bother C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169304322 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169304325 KK Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169304380 KK Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169304381 KK Annotated Anodyne CC[C@@]1(O)CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@@H]1CC4)[C@H]23 ZINC000169304416 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000169304459 KK Annotated Mild CCOC(=O)[C@@H]1[C@@H](c2ccccc2C)N(C)[C@@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304466 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2C)N(C)[C@@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304468 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2C)N(C)[C@@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304469 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccccc2C)N(C)[C@@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304471 KK Annotated Anodyne C[C@@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169304479 KK Annotated Anodyne C[C@@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169304480 KK Annotated Anodyne O=C1C(NS(=O)(=O)c2ccc(Br)cc2)=C(c2ccc(OC(F)(F)F)cc2)C(=O)c2ccccc21 ZINC000169304569 KK Annotated Mild CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169304660 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169304662 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169304664 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169304703 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169304705 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169304707 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000169304708 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)N(C)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304715 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)N(C)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304717 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(C)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304718 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)N(C)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169304719 KK Annotated Anodyne CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169304768 KK Annotated Anodyne CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169304770 KK Annotated Anodyne CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169304772 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000169304843 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6CC[C@H](O)CCCN6[C@@H]43)C5)nccc12 ZINC000169304852 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000169304928 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000169304929 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000169304930 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(F)cc1 ZINC000169304935 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(F)cc1 ZINC000169304937 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305016 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305017 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305018 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305019 KK Annotated Anodyne COC(=O)c1ccc([C@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1 ZINC000169305022 KK Annotated Reactive COC(=O)c1ccc([C@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1 ZINC000169305023 KK Annotated Reactive COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000169305053 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(-n3cncn3)cc2)cc1OCC ZINC000169305080 KK Annotated Anodyne C=C1[C@@H]([C@@H](O)C[C@@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@@H]2C)O[C@H]2CC[C@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@]5(O4)O[C@@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O3)O[C@H]2[C@@H]1O ZINC000169305090 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@]5(O4)O[C@@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O3)CC[C@@H]2O[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000169305092 KK Annotated Mild C=C1[C@@H]([C@@H](O)C[C@@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@@H]2C)O[C@H]2CC[C@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@]5(O4)O[C@@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O3)O[C@@H]2[C@@H]1O ZINC000169305093 KK Annotated Mild C=C1[C@@H]([C@@H](O)C[C@@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@@H]2C)O[C@H]2CC[C@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@]5(O4)O[C@@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O3)O[C@@H]2[C@H]1O ZINC000169305094 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169305193 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169305194 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169305195 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169305196 KK Annotated Mild COc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169305282 KK Annotated Anodyne COc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169305283 KK Annotated Anodyne COc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169305284 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](OCc3ccccc3)C[C@@]21C(=O)O ZINC000169305333 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@H](OCc3ccccc3)C[C@]21C(=O)O ZINC000169305334 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](OCc3ccccc3)C[C@@]21C(=O)O ZINC000169305335 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@H](c1ccc(Cl)c(Cl)c1)N1C[C@@H](OCc3ccccc3)C[C@]21C(=O)O ZINC000169305337 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccccc3C)[C@H]2c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000169305344 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305355 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305357 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305358 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305360 KK Annotated Anodyne COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccc(C#N)cc5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000169305378 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305414 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305417 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305419 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305421 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305528 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305529 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305531 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169305532 KK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5/C=C/CCCCN5[C@@H]32)C4)n1 ZINC000169305548 KK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)n1 ZINC000169305550 KK Annotated Anodyne COC(=O)c1cc2c([nH]c3ccccc32)c(C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@@H]5/C=C/CCCCN5[C@@H]32)C4)n1 ZINC000169305552 KK Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5/C=C/CCCCN5[C@@H]32)C4)N1 ZINC000169305556 KK Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)N1 ZINC000169305558 KK Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@@H]5/C=C/CCCCN5[C@@H]32)C4)N1 ZINC000169305560 KK Annotated Anodyne CCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169305615 KK Annotated Mild COc1ccc(/C=C2/CCN3[C@@H](CCC2=O)C[C@]24CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]2CC5)[C@H]34)cc1OC ZINC000169305629 KK Annotated Mild O=C1CC[C@H]2C[C@]34CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1c(Cl)cccc1Cl ZINC000169305633 KK Annotated Mild COC[C@@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000169305637 KK Annotated Anodyne COC[C@@H]1[C@@H]2CC[C@H]3[C@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC ZINC000169305639 KK Annotated Anodyne COC[C@@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000169305640 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@@H]1c1ccc(Cl)cc1 ZINC000169305668 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C/C/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169305702 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C\C/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169305704 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C\C/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169305706 KK Annotated Anodyne COC(=O)[C@@H](CC[S@@](C)=O)NC(=O)c1ccc(-c2c3ccc(n3)c(-c3cccc(OC)c3)c3ccc([nH]3)c(-c3cccc(OC)c3)c3ccc(n3)c(-c3cccc(OC)c3)c3ccc2[nH]3)cc1 ZINC000169305752 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169305779 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169305783 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169305785 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169305788 KK Annotated Bother ON=C1C2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)C1[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000169305849 KK Annotated Mild COc1ccc(/C=C2/CCN3[C@@H](CCC2=O)C[C@]24CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]2CC5)[C@H]34)cc1 ZINC000169305850 KK Annotated Mild C=C1[C@H](OCC(C)C)C[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000169305881 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@@]5(C(=O)O)C[C@@H]5/C=C/CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccn3)nc2c1 ZINC000169305891 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305922 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305924 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305927 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305928 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305930 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305931 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H](c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169305933 KK Annotated Anodyne CCCN(CCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@@H](C)[C@@H]1CC=C(C)CC1 ZINC000169305942 KK Annotated Bother CCCN(CCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@H](C)[C@@H]1CC=C(C)CC1 ZINC000169305943 KK Annotated Bother CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169305987 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169305988 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169305990 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@H](OC)[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@H]2C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169305991 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169306017 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000169306019 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169306021 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)/C=C6/SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000169306032 KK Annotated Reactive O=C1CC[C@H]2C[C@]34CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1ccc(F)cc1 ZINC000169306056 KK Annotated Mild C[C@@]12C[N+](C)(C)C[C@@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@H]5[C@@]35C=%23C[C@@]%215[C@]%1914)[C@@H](C%17=C8[C@@]1(C[N+](C)(C)C[C@@]%16%131)[C@H]96)[C@@H]72 ZINC000169306081 KK Annotated Bother C[C@]12C[N+](C)(C)C[C@@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@H]5[C@@]35C=%23C[C@@]%215[C@@]%1941)[C@@H](C%17=C8[C@@]1(C[N+](C)(C)C[C@@]%16%131)[C@H]96)[C@@H]72 ZINC000169306084 KK Annotated Bother C[C@@]12C[N+](C)(C)C[C@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@H]5[C@@]35C=%23C[C@@]%215[C@]%1914)[C@@H](C%17=C8[C@@]1(C[N+](C)(C)C[C@@]%16%131)[C@H]96)[C@@H]72 ZINC000169306088 KK Annotated Bother C[C@]12C[N+](C)(C)C[C@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@H]5[C@@]35C=%23C[C@@]%215[C@]%1914)[C@@H](C%17=C8[C@@]1(C[N+](C)(C)C[C@@]%16%131)[C@H]96)[C@@H]72 ZINC000169306092 KK Annotated Bother COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N4C3)cc(-c3csc(NC(C)=O)n3)nc2c1 ZINC000169306172 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000169306241 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H]2N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000169306242 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000169306243 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H]2N[C@@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000169306244 KK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@@H]3C2=O)cc1 ZINC000169306252 KK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@@H]3C2=O)cc1 ZINC000169306254 KK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@@H]3C2=O)cc1 ZINC000169306256 KK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@@H]3C2=O)cc1 ZINC000169306257 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C/C1=O)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306316 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(/C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C/C1=O)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306317 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C/C=C\C1=O)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306318 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(/C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C/C=C\C1=O)[S@@](=O)SC(=O)[C@]2(C)O ZINC000169306319 KK Annotated Reactive CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000169306320 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000169306321 KK Annotated Anodyne CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169306339 KK Annotated Anodyne CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169306341 KK Annotated Anodyne CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169306342 KK Annotated Anodyne CCCN(CCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@@H](C)[C@@H]1CC=C(C)CC1 ZINC000169306343 KK Annotated Bother CCCN(CCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@H](C)[C@@H]1CC=C(C)CC1 ZINC000169306344 KK Annotated Bother COc1cc(C(=O)N2[C@H](c3nccs3)[C@@H](C(=O)N(OC)[C@@H](C)c3ccccc3)C[C@@]2(CC(C)C)C(=O)OC(C)(C)C)ccc1C(C)(C)C ZINC000169306426 KK Annotated Anodyne COc1cc(C(=O)N2[C@H](c3nccs3)[C@H](C(=O)N(OC)[C@@H](C)c3ccccc3)C[C@@]2(CC(C)C)C(=O)OC(C)(C)C)ccc1C(C)(C)C ZINC000169306427 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccc(C3C4=C(C[C@@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)O2 ZINC000169306435 KK Annotated Mild O=C1C[C@@H](c2ccccc2)CC2=C1C(c1cccc(C3C4=C(C[C@@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)c1)C1=C(C[C@H](c3ccccc3)CC1=O)O2 ZINC000169306436 KK Annotated Mild CCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169306453 KK Annotated Mild C1=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OCCCCOc2ccccc2/1 ZINC000169306463 KK Annotated Anodyne C1=N/n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OCCCCOc2ccccc2/1 ZINC000169306464 KK Annotated Anodyne CCCOc1c(C(=O)N[C@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCC ZINC000169306484 KK Annotated Anodyne CCCOc1c(C(=O)N[C@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCC ZINC000169306486 KK Annotated Anodyne O=[N+]([O-])c1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169306548 KK Annotated Bother O=[N+]([O-])c1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169306550 KK Annotated Bother O=[N+]([O-])c1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169306551 KK Annotated Bother CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)[C@@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000169306570 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)[C@@H](Nc1ccc(OC)cc1OC)C1C(=O)OC(C)(C)OC1=O ZINC000169306571 KK Annotated Anodyne COC(=O)CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/C(=O)CCCN6[C@@H]43)C5)c21 ZINC000169306572 KK Annotated Mild COC(=O)CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CC(=O)CCCN6[C@@H]43)C5)c21 ZINC000169306573 KK Annotated Mild COC(=O)CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/C(=O)CCCN6[C@@H]43)C5)c21 ZINC000169306574 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)=O)n3)nc2c1 ZINC000169306579 KK Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(Cl)cc3)[C@H](C)C(=O)[C@@H](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169306585 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@@]1(C)CN(C[C@@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000169306649 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@]1(C)CN(C[C@@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000169306654 KK Annotated Anodyne CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(C)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169306696 KK Annotated Bother Cc1cccnc1-c1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nc(CNC(C)C)cs2)c1 ZINC000169306760 KK Annotated Anodyne COc1c(O)c2c(c(I)c1OC)C[C@H](C)[C@H](C)Cc1c(I)c(OC)c(OC)c(OC)c1-2 ZINC000169306783 KK Annotated Anodyne Oc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c(O)c1 ZINC000169306790 KK Annotated Anodyne Clc1cccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1 ZINC000169306792 KK Annotated Anodyne COc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000169306794 KK Annotated Anodyne Clc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1Cl ZINC000169306795 KK Annotated Anodyne Oc1ccc(Cl)cc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000169306796 KK Annotated Anodyne CSc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1 ZINC000169306798 KK Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)c2ccc(C(=O)/C=C/c3ccc(N(C)C)c4ccccc34)cc2)c2ccccc12 ZINC000169306876 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169306962 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169306964 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(F)c(F)c3)cc2)nn1C ZINC000169307011 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@@H]2c3ccccc3N=C(N(C)CCCCCCN(C)C)N2c2ccc3ccccc3c2)cc1 ZINC000169307066 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2c3ccccc3N=C(N(C)CCCCCCN(C)C)N2c2ccc3ccccc3c2)cc1 ZINC000169307067 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(C)=O)C[C@H]1C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000169307086 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307088 KK Annotated Mild CC[C@H](C)[C@@H](O)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(C)=O)C[C@H]1C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000169307089 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307091 KK Annotated Mild CC[C@@H](C)[C@H](O)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(C)=O)C[C@H]1C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000169307092 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307093 KK Annotated Mild CC[C@H](C)[C@H](O)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(C)=O)C[C@H]1C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000169307095 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307096 KK Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@@H]3c3ccc(Cl)cc3)nc12 ZINC000169307144 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(C(=O)NN3C(=O)CS[C@H]3c3ccc(Cl)cc3)nc12 ZINC000169307145 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3nn4cc(-c5ccc(Br)cc5)nc4s3)nc12 ZINC000169307147 KK Annotated Anodyne C[C@H]1CN([C@H](C)c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)CCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000169307235 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169307237 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169307241 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169307246 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169307249 KK Annotated Anodyne CC[C@@H]1CC[C@@H]2CN(/N=C\c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N4)O6)CCN2C1 ZINC000169307299 KK Annotated Mild CC[C@@H]1CC[C@@H]2CN(/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N4)O6)CCN2C1 ZINC000169307302 KK Annotated Mild CC[C@@H]1CC[C@@H]2CN(/N=C\c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N4)O6)CCN2C1 ZINC000169307304 KK Annotated Mild CC[C@@H]1CC[C@@H]2CN(/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N4)O6)CCN2C1 ZINC000169307306 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN(Cc6cccc7ccccc67)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307307 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN(Cc6cccc7ccccc67)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307309 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6cccc7ccccc67)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307311 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6cccc7ccccc67)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307312 KK Annotated Mild C/C1=C/[C@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000169307382 KK Annotated Mild Cc1c2c(nn1-c1ccc(-c3nc4cc(Br)ccc4[nH]3)cc1)-c1ccccc1S(=O)(=O)N2C ZINC000169307433 KK Annotated Anodyne CN1c2c(nn(-c3ccc(-c4nc5cc(Br)ccc5[nH]4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O ZINC000169307443 KK Annotated Anodyne CN1c2c(nn(-c3ccc(-c4nc5ccccc5[nH]4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O ZINC000169307444 KK Annotated Anodyne CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000169307445 KK Annotated Anodyne Cc1ccc2[nH]c(-c3ccc(-n4nc5c(c4-c4ccccc4)N(C)S(=O)(=O)c4ccccc4-5)cc3)nc2c1 ZINC000169307446 KK Annotated Anodyne CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000169307447 KK Annotated Anodyne CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000169307448 KK Annotated Anodyne CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000169307450 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307461 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307463 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307465 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169307468 KK Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCCN2CCN(CCCCCCCCCCC3=C(C)C(=O)C(OC)=C(OC)C3=O)CC2)=C(C)C1=O ZINC000169307470 KK Annotated Mild CC1=C(C)C(=O)C(CCCCCCCCCCN2CCN(CCCCCCCCCCC3=C(C)C(=O)C(C)=C(C)C3=O)CC2)=C(C)C1=O ZINC000169307474 KK Annotated Mild CC1=C(C)C(=O)C(CCCCCCCCCCN2CCCN(CCCCCCCCCCC3=C(C)C(=O)C(C)=C(C)C3=O)CC2)=C(C)C1=O ZINC000169307489 KK Annotated Mild COC1=C(C)C(=O)C(CCCCCCCCCCN(C)CCN(C)CCCCCCCCCCC2=C(C)C(=O)C(OC)=C(C)C2=O)=C(C)C1=O ZINC000169307494 KK Annotated Mild O=C(O)c1ccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)cc1 ZINC000169307535 KK Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-n2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c1 ZINC000169307536 KK Annotated Bother O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(-n3ccc4c(-c5ccc(C(F)(F)F)cc5)cccc43)c2)c1 ZINC000169307537 KK Annotated Bother Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)Nc1cccc(-n2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c1 ZINC000169307540 KK Annotated Anodyne CCOC(=O)c1cn(CC(F)(F)F)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2c1=O ZINC000169307557 KK Annotated Bother CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)C(C)(C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 ZINC000169307683 KK Annotated Anodyne CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 ZINC000169307684 KK Annotated Anodyne C=C(C)O[C@H]1[C@@H](C)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C\[C@H]3[C@H](C/C=C(/C)[C@H](OC(=C)C)[C@@H]12)C3(C)C ZINC000169307830 KK Annotated Mild C=C(C)O[C@H]1[C@@H](C)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@H]3[C@H](C/C=C(\C)[C@H](OC(=C)C)[C@@H]12)C3(C)C ZINC000169307832 KK Annotated Mild C=C(C)O[C@H]1[C@@H](C)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C\[C@H]3[C@H](C/C=C(\C)[C@H](OC(=C)C)[C@@H]12)C3(C)C ZINC000169307834 KK Annotated Mild Cc1cc2nc(-c3ccc(-n4nc5c(c4-c4ccccc4)N(C)S(=O)(=O)c4ccccc4-5)cc3)[nH]c2cc1C ZINC000169307856 KK Annotated Anodyne CN1c2c(nn(-c3ccc(-c4nc5ccccc5o4)cc3)c2-c2ccccc2)-c2ccccc2S1(=O)=O ZINC000169307860 KK Annotated Anodyne CCOC(=O)c1cn(CC(F)(F)F)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1=O ZINC000169307953 KK Annotated Bother CCCCn1cc(C(=O)OCC)c(=O)c2c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3ccc21 ZINC000169307955 KK Annotated Bother COC1=C(OC)C(=O)C(CCCCCCCCCCn2cc(C[C@H](O)COCCOC[C@@H](O)Cc3ccc(-c4ccccc4)cc3)nn2)=C(C)C1=O ZINC000169308011 KK Annotated Mild COC1=C(C)C(=O)C(CCCCCCCCCCn2cc(C[C@H](O)COCCOC[C@@H](O)Cc3ccc(-c4ccccc4)cc3)nn2)=C(C)C1=O ZINC000169308012 KK Annotated Mild CC1=C(C)C(=O)C(CCCCCCCCCCn2cc(C[C@H](O)COCCOC[C@@H](O)Cc3ccc(-c4ccccc4)cc3)nn2)=C(C)C1=O ZINC000169308013 KK Annotated Mild CC1=C(CCCCCCCCCCn2cc(C[C@H](O)COCCOC[C@@H](O)Cc3ccc(-c4ccccc4)cc3)nn2)C(=O)c2ccccc2C1=O ZINC000169308014 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000169308105 KK Annotated Mild Cc1cc([C@@H]2C[C@@H]2[C@@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O ZINC000169308160 KK Annotated Anodyne Cc1cc([C@@H]2C[C@H]2[C@@H](OC(=O)c2ccccc2)c2ccc(OC(F)(F)F)cc2)cc(C)c1OC(C)(C)C(=O)O ZINC000169308164 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)nn1C ZINC000169308193 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3cccc(F)c3)cc2)nn1C ZINC000169308194 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccccc3F)cc2)nn1C ZINC000169308195 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)c(OC)c3)cc2)nn1C ZINC000169308196 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(OC)c(F)c3)cc2)nn1C ZINC000169308198 KK Annotated Anodyne C#CCNC(=O)[C@H](CC)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000169308253 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCS)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169308254 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCOCCO)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169308255 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCCCN)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169308256 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCc2ccc(F)cc2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169308257 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCc2c[nH]cn2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169308258 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCc2ccc(O)c(O)c2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169308259 KK Annotated Clean COC1=C(OC)C(=O)C(CCCCCCCCCCCCCCCn2cc(C[C@H](O)COCCOC[C@@H](O)Cc3ccc(-c4ccccc4)cc3)nn2)=C(C)C1=O ZINC000169308402 KK Annotated Mild CO[C@H]1C(=O)[C@]2(C)CC[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C(C)=C1C3(C)C ZINC000169308498 KK Annotated Anodyne O=C(O)c1cn(CC(F)(F)F)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1=O ZINC000169308517 KK Annotated Bother O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)nc3c2c1=O ZINC000169308522 KK Annotated Bother CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000169308529 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169308543 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169308545 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@H](c4ccc(C(C)C)cc4)c4nnnn4C4CCCCC4)CC3)cc21 ZINC000169308574 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@@H](c4ccc(C(C)C)cc4)c4nnnn4C4CCCCC4)CC3)cc21 ZINC000169308575 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@H](c4cccc5ccccc45)c4nnnn4C4CCCCC4)CC3)cc21 ZINC000169308583 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@@H](c4cccc5ccccc45)c4nnnn4C4CCCCC4)CC3)cc21 ZINC000169308584 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@H](c4ccc(OC)c5ccccc45)c4nnnn4C4CCCCC4)CC3)cc21 ZINC000169308585 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN([C@@H](c4ccc(OC)c5ccccc45)c4nnnn4C4CCCCC4)CC3)cc21 ZINC000169308586 KK Annotated Anodyne COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308592 KK Annotated Anodyne COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308593 KK Annotated Anodyne CC(C)c1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308597 KK Annotated Anodyne CC(C)c1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308599 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccco1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308602 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccco1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308604 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308606 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308608 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](c1cccc2ccccc12)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308610 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](c1cccc2ccccc12)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000169308612 KK Annotated Anodyne COc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308614 KK Annotated Anodyne COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308615 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4ccccc4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308617 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4ccccc4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308618 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4ccncc4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308619 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4ccncc4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308621 KK Annotated Anodyne COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308624 KK Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000169308625 KK Annotated Anodyne CC(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308626 KK Annotated Anodyne CC(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000169308627 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4ccco4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308628 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4ccco4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308629 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4ccc(F)cc4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308630 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4ccc(F)cc4)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308631 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@H](c4cccc5ccccc45)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308632 KK Annotated Anodyne O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2cc(N3CCN([C@@H](c4cccc5ccccc45)c4nnnn4C4CCCCC4)CC3)c(F)cc2c1=O ZINC000169308634 KK Annotated Anodyne COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308636 KK Annotated Anodyne COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000169308637 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@]23[C@H]2CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@]2(C)/C(=N\OCCN2CCCCC2)C[C@@H]13 ZINC000169308679 KK Annotated Mild O=C(C[C@@H](CCOCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(Cl)cc1Cl)NOC(=O)NCc1ccccc1 ZINC000169308731 KK Annotated Mild O=C(C[C@H](CCOCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(Cl)cc1Cl)NOC(=O)NCc1ccccc1 ZINC000169308732 KK Annotated Mild C/C1=C\CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)COC(=O)c2ccccc2)c2ccc(cc2C(=O)O)C[C@@H](O)CC1 ZINC000169308765 KK Annotated Anodyne Cc1nn(-c2c(F)cccc2CN(C)C)cc1CN1CCC2(CC1)OCC(F)(F)c1cc(Cl)sc12 ZINC000169308846 KK Annotated Anodyne CC(=O)C[C@H]1[C@@H]2C[C@]3(CC=C(C)C)C(=O)[C@@]1(C(=O)c1ccccc1)C(=O)[C@@](CC=C(C)C)(C3=O)C2(C)C ZINC000169308851 KK Annotated Anodyne CC(=O)C[C@@H]1[C@@H]2C[C@]3(CC=C(C)C)C(=O)[C@@]1(C(=O)c1ccc(O)c(O)c1)C(=O)[C@@](CC=C(C)C)(C3=O)C2(C)C ZINC000169308852 KK Annotated Clean CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@H](C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000169308853 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(OC(=O)c3ccccc3)=C(O)[C@H](C2=O)C1(C)C ZINC000169308854 KK Annotated Mild C=C(C)C(=O)CC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@H](C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000169308855 KK Annotated Mild C=C(CCC=C(C)C)C(=O)C[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@H](C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000169308856 KK Annotated Mild C=C(C)[C@@H](O)CC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@H](C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000169308858 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@H]1C[C@@]23C[C@@H](C(C)(C)O)OC2=C(C(=O)c2ccccc2)C(=O)[C@H](C3=O)C1(C)C ZINC000169308859 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@H]1C[C@@]23C[C@H](O)C(C)(C)OC2=C(C(=O)c2ccccc2)C(=O)[C@H](C3=O)C1(C)C ZINC000169308860 KK Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/C[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000169308861 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3cccc(O)c3)=C2O)C1(C)C ZINC000169308862 KK Annotated Mild O=C(Oc1c(-c2ccc(O)cc2)c(O)c2oc3cc(O)c(O)cc3c2c1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000169308870 KK Annotated Clean C1=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OCCOCCOCOc2ccccc2/1 ZINC000169308918 KK Annotated Anodyne C1=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OCOCCOCCOc2ccccc2/1 ZINC000169308921 KK Annotated Anodyne C1=N/n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OCOCCOCCOc2ccccc2/1 ZINC000169308924 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1 ZINC000169309009 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3CCC)cc1 ZINC000169309012 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=CC3=C(CCC4=C5C=C6C(=O)C(O)=C(C(C)C)[C@@]6(C)CC[C@]5(C)C[C@@H](O)C4=O)C(=O)[C@H](O)C[C@@]3(C)CC[C@@]21C ZINC000169309057 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=CC3=C(CCC4=C5CC6=C(O)C(=O)[C@H](C(C)C)[C@@]6(C)CC[C@]5(C)C[C@@H](O)C4=O)C(=O)[C@H](O)C[C@@]3(C)CC[C@@]21C ZINC000169309058 KK Annotated Mild OC1COc2ccccc2/C=N\n2c(nnc2-c2cccnc2)SCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OC1 ZINC000169309094 KK Annotated Anodyne OC1COc2ccccc2/C=N/n2c(nnc2-c2cccnc2)SCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OC1 ZINC000169309097 KK Annotated Anodyne OC1COc2ccccc2/C=N\n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OC1 ZINC000169309098 KK Annotated Anodyne OC1COc2ccccc2/C=N/n2c(nnc2-c2cccnc2)SCCCCSc2nnc(-c3cccnc3)n2/N=C/c2ccccc2OC1 ZINC000169309100 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 ZINC000169309125 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 ZINC000169309130 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4nncn4CCC)cc2)CCCN3CCC)cc1 ZINC000169309133 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 ZINC000169309136 KK Annotated Anodyne CCCCCCCCCCCCC/C(NCCCNC(=O)COCC(=O)O)=C1\C(=O)CN(CCCCCC)C1=O ZINC000169309169 KK Annotated Mild CCCCCCCCCCC/C(Nc1ccc(NC(=O)COCC(=O)O)cc1)=C1\C(=O)CN(CCCCCC)C1=O ZINC000169309171 KK Annotated Mild CCCCC/C(N[C@H](C)CCCN(CC)CC)=C1\C(=O)[C@@H](CCSC)N(C(=O)C[C@@H](C)CC(C)(C)C)C1=O ZINC000169309203 KK Annotated Mild CCCCC/C(N[C@H](C)CCCN(CC)CC)=C1\C(=O)[C@H](CCSC)N(C(=O)C[C@@H](C)CC(C)(C)C)C1=O ZINC000169309208 KK Annotated Mild CCCCCCCCCCC/C(NCCCOC(C)C)=C1/C(=O)N[C@@H](CCCC(=O)NCCCOC(C)C)C1=O ZINC000169309211 KK Annotated Mild CO[C@H]1/C=C\C(=O)O[C@H](C)C/C=C/C=C/[C@H](OC(C)=O)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]1O[C@H](C)[C@@H](OC(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](N(C)C)[C@H]1O ZINC000169309212 KK Annotated Mild CCCCCCCCC/C(N[C@@H](C)CCCN(CC)CC)=C1/C(=O)N2[C@@H](C(C)(C)C)OC[C@]2(C(=O)OC)C1=O ZINC000169309215 KK Annotated Mild CCCCCCCCC/C(N[C@H](C)CCCN(CC)CC)=C1/C(=O)N2[C@@H](C(C)(C)C)OC[C@]2(C(=O)OC)C1=O ZINC000169309217 KK Annotated Mild CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(/CC13CC4CC(CC(C4)C1)C3)N[C@@H](C)CCCN(CC)CC)C2=O ZINC000169309221 KK Annotated Mild CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(/CC13CC4CC(CC(C4)C1)C3)N[C@H](C)CCCN(CC)CC)C2=O ZINC000169309224 KK Annotated Mild C[C@@H]1CC[C@@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCC(N(C)C)CC5)c(F)n4)nc32)CC1 ZINC000169309298 KK Annotated Anodyne COc1nc(Nc2ncc3c4ccncc4n([C@@H]4CC[C@@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 ZINC000169309311 KK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cn(-c2cccc(C(F)(F)F)c2)nn1)C(F)(F)F ZINC000169309330 KK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cn(-c2cccc(C(F)(F)F)c2)nn1)C(F)(F)F ZINC000169309332 KK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)F ZINC000169309366 KK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2cccc(C(F)(F)F)c2)no1)C(F)(F)F ZINC000169309368 KK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCc1cc(-c2ccc(Br)cc2)no1)C(F)(F)F ZINC000169309379 KK Annotated Anodyne CCOC(=O)C1=Cc2ccccc2O[C@]1(OCc1cc(-c2ccc(Br)cc2)no1)C(F)(F)F ZINC000169309380 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1 ZINC000169309389 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCN3CCC)cc1 ZINC000169309391 KK Annotated Anodyne CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)CCO[C@H](C(C)(C)C)C[C@@H]3CCO[C@H](/C=C\C(C)(C)[C@]1(O)O2)O3 ZINC000169309429 KK Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)CCO[C@H](C(C)(C)C)C[C@@H]3CCO[C@H](/C=C\C(C)(C)[C@]1(O)O2)O3 ZINC000169309431 KK Annotated Mild Cc1ccc(N2C(N)=C(C#N)[C@@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000169309749 KK Annotated Reactive Cc1ccc(N2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000169309751 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169309753 KK Annotated Mild CCOC(=O)C1=C(N)N(c2ccc(C)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169309754 KK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169309760 KK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169309761 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169309762 KK Annotated Mild CCOC(=O)C1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169309763 KK Annotated Mild C[C@H]1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)/C(=C1\NC(=O)c2cc(O)c4c(c21)O[C@]1(C4)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)NC3=O ZINC000169309764 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000169310075 KK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccc(O)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310088 KK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccc(O)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310089 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2ccc(O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310090 KK Annotated Mild CCOC(=O)C1=C(N)N(c2ccc(O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310091 KK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310094 KK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310095 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310096 KK Annotated Mild CCOC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310097 KK Annotated Mild Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccccc2O)C2=C1C(=O)CC(C)(C)C2 ZINC000169310100 KK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccccc2O)C2=C1C(=O)CC(C)(C)C2 ZINC000169310101 KK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2cccc(O)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310102 KK Annotated Reactive Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2cccc(O)c2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310104 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2cccc(O)c2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310106 KK Annotated Mild CCOC(=O)C1=C(N)N(c2cccc(O)c2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310108 KK Annotated Mild COc1ccc(N2C(N)=C(C#N)[C@@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000169310114 KK Annotated Reactive COc1ccc(N2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 ZINC000169310115 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310116 KK Annotated Mild CCOC(=O)C1=C(N)N(c2ccc(OC)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1-n1ccnc1 ZINC000169310117 KK Annotated Mild C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310148 KK Annotated Anodyne C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310149 KK Annotated Anodyne C[C@H]1[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N1[C@H](C)CO ZINC000169310150 KK Annotated Anodyne C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310151 KK Annotated Anodyne C[C@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310152 KK Annotated Anodyne C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@@H]1C ZINC000169310153 KK Annotated Anodyne C[C@H]1[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C(=O)N1[C@H](C)CO ZINC000169310154 KK Annotated Anodyne C[C@@H](CO)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)[C@H]1C ZINC000169310155 KK Annotated Anodyne CCc1ccc(N2C(=O)[C@@H]3[C@@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000169310252 KK Annotated Anodyne CCc1ccc(N2C(=O)[C@H]3[C@@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000169310254 KK Annotated Anodyne CCc1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000169310255 KK Annotated Anodyne CCc1ccc(N2C(=O)[C@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000169310257 KK Annotated Anodyne C/C1=C/C=C/C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/CN(C)C)Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C1 ZINC000169310285 KK Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4cc(O)ccc4[C@@]34CCN([C@H](c3cc5c(cc3O)NC3=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]35[C@@H]76)[C@@H]3O[C@@H]31)[C@@H]24 ZINC000169310400 KK Annotated Clean CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c([C@@H]5C[C@]67c8ccccc8N[C@@]68CC[C@]6(C=CCN5[C@@H]67)C[C@H]8C(=O)OC)cc14)[C@@H]32 ZINC000169310408 KK Annotated Clean C[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169310602 KK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310631 KK Annotated Reactive Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 ZINC000169310632 KK Annotated Reactive CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccccc2)c1Cl ZINC000169310640 KK Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccccc2)c1Cl ZINC000169310641 KK Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccc(C)cc2)c1Cl ZINC000169310642 KK Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccc(C)cc2)c1Cl ZINC000169310644 KK Annotated Mild CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169310732 KK Annotated Anodyne CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169310734 KK Annotated Anodyne CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169310736 KK Annotated Anodyne CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccc(Cl)cc4)cc3)n2)CC1 ZINC000169310761 KK Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccc(Cl)cc4)cc3)n2)CC1 ZINC000169310763 KK Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@@H]4c4ccc(Br)cc4)cc3)n2)CC1 ZINC000169310765 KK Annotated Mild CN1CCN(c2nc(Oc3ccc(C#N)cc3)nc(-c3ccc(N4C(=O)CS[C@H]4c4ccc(Br)cc4)cc3)n2)CC1 ZINC000169310767 KK Annotated Mild COc1ccc(C2=NN(c3ccccc3)[C@]3(C(=O)Nc4cc(Br)ccc43)[C@H]2c2ccccc2)cc1 ZINC000169310820 KK Annotated Anodyne COc1cc2c(cc1C)NC(=O)/C2=C/c1c(Cl)n(Cc2cc(OC)c(OC)c(OC)c2)c2cc(C)c(OC)cc12 ZINC000169310841 KK Annotated Clean COc1cc2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)n(Cc3cc(OC)c(OC)c(OC)c3)c2cc1C ZINC000169310846 KK Annotated Clean CCCCCCC/C=C/C(=O)N1C(=O)/C(=C(\C)Nc2ccc(N3CCOCC3)cc2)C(=O)[C@@H]1CC(C)C ZINC000169310880 KK Annotated Mild CCCCCCC/C=C/C(=O)N1C(=O)/C(=C(\C)Nc2ccc(N3CCOCC3)cc2)C(=O)[C@H]1CC(C)C ZINC000169310881 KK Annotated Mild CCN(CC)CCC[C@@H](C)N/C(CCCOc1ccccc1)=C1/C(=O)[C@@H](CC(C)C)N(C(=O)c2ccccc2)C1=O ZINC000169310895 KK Annotated Mild CCN(CC)CCC[C@H](C)N/C(CCCOc1ccccc1)=C1/C(=O)[C@@H](CC(C)C)N(C(=O)c2ccccc2)C1=O ZINC000169310896 KK Annotated Mild CCN(CC)CCC[C@@H](C)N/C(CCCOc1ccccc1)=C1/C(=O)[C@H](CC(C)C)N(C(=O)c2ccccc2)C1=O ZINC000169310897 KK Annotated Mild CCN(CC)CCC[C@H](C)N/C(CCCOc1ccccc1)=C1/C(=O)[C@H](CC(C)C)N(C(=O)c2ccccc2)C1=O ZINC000169310898 KK Annotated Mild CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(/CC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)N[C@@H](C)CCCN(CC)CC)C2=O ZINC000169310904 KK Annotated Mild CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000169310909 KK Annotated Anodyne CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000169311006 KK Annotated Mild CCOC(=O)C1=C(N)N(c2cccnc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(C)nn(-c2ccc(Cl)cc2)c1Cl ZINC000169311007 KK Annotated Mild CCCCCC[C@@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311013 KK Annotated Anodyne CCCCCC[C@@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311014 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311017 KK Annotated Anodyne CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000169311065 KK Annotated Mild COc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)C[C@H](c3ccccc3)CN(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000169311085 KK Annotated Anodyne COc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)C[C@@H]3C[C@@H]3N(C(=O)c3cnccc3C(F)(F)F)C2)CC1 ZINC000169311088 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3cc(CC=C(C)C)[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311103 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(CC=C(C)C)c[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311104 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(C/C=C(\C)CCC=C(C)C)c[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311105 KK Annotated Anodyne COc1cc(/C=C/c2cc(OC)c3c(C/C=C(\C)CCC=C(C)C)c[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311109 KK Annotated Anodyne COc1cc(/C=C/c2cc(OC)c3c(CC=C(C)C)c[nH]c3c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311110 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc2[nH]cc(CC=C(C)C)c12 ZINC000169311112 KK Annotated Anodyne Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)cc3)c(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)c2)cc1 ZINC000169311155 KK Annotated Mild CC1=C[C@@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169311241 KK Annotated Mild CC1=C[C@H]2[C@@H]3C(=O)N(N4CCCCS/C4=N\c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]3[C@@H]1C[C@@H]2C(C)C ZINC000169311242 KK Annotated Mild CC1=C[C@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000169311243 KK Annotated Mild CC1=C[C@@H]2[C@@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000169311246 KK Annotated Mild CN(CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)[C@@H]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000169311260 KK Annotated Mild CN(CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21)[C@@H]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000169311262 KK Annotated Mild CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccc(O)cc2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000169311263 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169311266 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169311268 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169311269 KK Annotated Anodyne O=C1NC[C@H](Cc2ccccc2)N(C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000169311275 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C=C(NC7=C[C@@]8(C)[C@@H](CC[C@]9(C)[C@@H]8CC[C@@H]8[C@H]%10[C@H]%11OC[C@@]%10(CCC%11(C)C)CC[C@]89C)C(C)(C)C7=O)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000169311383 KK Annotated Mild O=C1CC[C@H]2C[C@]34CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000169311445 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3Br)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311473 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3cccc(Br)c3)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311474 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311475 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccccc3C(F)(F)F)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311476 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311477 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)c2c1C=CC(C)(C)O2 ZINC000169311478 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cccc3c2ccn3Cc2cccc(Br)c2)c2c1C=CC(C)(C)O2 ZINC000169311483 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311508 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311509 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311510 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311511 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@@]2(C1)[C@@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000169311516 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@]2(C1)[C@@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000169311517 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@@]2(C1)[C@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000169311518 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@]2(C1)[C@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000169311520 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@@]2(C1)[C@@H](c1ccccc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311521 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311522 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccccc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311523 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@H](c1ccccc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311524 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@@]2(C1)[C@@H](c1ccccc1F)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311525 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@@H](c1ccccc1F)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311526 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@@]2(C1)[C@H](c1ccccc1F)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311527 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@H](c1ccccc1F)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311528 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311533 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311534 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311535 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311536 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@@]2(C1)[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311541 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311542 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311543 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311544 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@@]2(C1)[C@@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311546 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311547 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311548 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311550 KK Annotated Mild C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311553 KK Annotated Mild C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311554 KK Annotated Mild C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311555 KK Annotated Mild C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311556 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@@H]2C[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)C[C@@]2(C1=O)[C@@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311570 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)C[C@@]2(C1=O)[C@@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311572 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@@H]2C[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)C[C@@]2(C1=O)[C@@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311573 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)C[C@@]2(C1=O)[C@@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311574 KK Annotated Mild O=C([C@@H]1C[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311588 KK Annotated Mild O=C([C@H]1C[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311589 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311590 KK Annotated Mild O=C([C@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311591 KK Annotated Mild O=C([C@@H]1C[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311619 KK Annotated Mild O=C([C@H]1C[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311620 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311621 KK Annotated Mild O=C([C@H]1C[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000169311622 KK Annotated Mild CCCCCC[C@@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)[C@@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311630 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)[C@@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311631 KK Annotated Anodyne CCCCCC[C@@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)[C@@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311633 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)[C@@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000169311635 KK Annotated Anodyne CN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1F ZINC000169311751 KK Annotated Anodyne CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169311790 KK Annotated Anodyne CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169311792 KK Annotated Anodyne CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169311794 KK Annotated Anodyne O=C1CC[C@H]2C[C@]34CN5CCCC/C=C/CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1ccc(Br)cc1 ZINC000169311797 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169311801 KK Annotated Bother in-man CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169311803 KK Annotated Bother in-man CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169311804 KK Annotated Bother in-man CO[C@@H]1C/C=C\C=C/C[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H]2C)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/CO)C[C@H](O)CCC1 ZINC000169311811 KK Annotated Anodyne CO[C@@H]1C/C=C/C=C\C[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H]2C)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/CO)C[C@H](O)CCC1 ZINC000169311814 KK Annotated Anodyne CO[C@@H]1C/C=C/C=C/C[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H]2C)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/CO)C[C@H](O)CCC1 ZINC000169311817 KK Annotated Anodyne COc1ccc(C(=O)/C=C/c2cccc3ccn(Cc4cccc(Br)c4)c23)c2c1C=CC(C)(C)O2 ZINC000169311861 KK Annotated Mild Cn1ccc2cc(/C=C/C(=O)c3ccc(OS(=O)(=O)c4cc(F)cc(F)c4)c4c3OC(C)(C)C=C4)ccc21 ZINC000169311873 KK Annotated Mild Cn1ccc2cc(/C=C/C(=O)c3ccc(OS(=O)(=O)c4ccc(Br)cc4C(F)(F)F)c4c3OC(C)(C)C=C4)ccc21 ZINC000169311874 KK Annotated Mild Cn1ccc2cc(/C=C/C(=O)c3ccc(OS(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)c4c3OC(C)(C)C=C4)ccc21 ZINC000169311875 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccc4c(ccn4C)c3)c3c2C=CC(C)(C)O3)cc1 ZINC000169311876 KK Annotated Mild CC(C)c1ccc(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccc4c(ccn4C)c3)c3c2C=CC(C)(C)O3)cc1 ZINC000169311879 KK Annotated Mild Cn1ccc2cc(/C=C/C(=O)c3ccc(OS(=O)(=O)c4cccc(C(F)(F)F)c4)c4c3OC(C)(C)C=C4)ccc21 ZINC000169311881 KK Annotated Mild COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Oc1ccc(C(=O)/C=C/c2ccc3c(ccn3C)c2)c2c1C=CC(C)(C)O2 ZINC000169311883 KK Annotated Mild CC1=CC[C@@H]2CCCC[C@@H]2[C@H]1N1C(=O)[C@@H]2[C@@H]3C[C@H]4[C@](C=C3C(C)C)(CC[C@H]3[C@](C)(C(=O)O)CCC[C@]43C)[C@@H]2C1=O ZINC000169311925 KK Annotated Anodyne COc1cc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1 ZINC000169312060 KK Annotated Reactive COc1cc(/C=C/C(=O)N(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)=O ZINC000169312061 KK Annotated Reactive COc1cc(/C=C/C(=O)N(/N=N/c2ccc([N+](=O)[O-])cc2Br)c2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)=O ZINC000169312062 KK Annotated Reactive CCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169312114 KK Annotated Mild CCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169312116 KK Annotated Mild CCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169312117 KK Annotated Mild CC(C)C[C@@]1(C(=O)OC(C)(C)C)C[C@@H](C(=O)OC(C)(C)C)[C@@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000169312167 KK Annotated Anodyne CC(C)C[C@]1(C(=O)OC(C)(C)C)C[C@@H](C(=O)OC(C)(C)C)[C@@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000169312169 KK Annotated Anodyne CC(C)C[C@@]1(C(=O)OC(C)(C)C)C[C@H](C(=O)OC(C)(C)C)[C@@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000169312171 KK Annotated Anodyne CC(C)C[C@]1(C(=O)OC(C)(C)C)C[C@H](C(=O)OC(C)(C)C)[C@@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000169312173 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312227 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312229 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312230 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312231 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312236 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312237 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312238 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312239 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312240 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312241 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312242 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCCCN2CCC(c3nc4ccccc4o3)CC2)cc1 ZINC000169312243 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@@H]2COCCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312244 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@@H]2COCCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312245 KK Annotated Anodyne c1ccc([C@@H]2Oc3ccccc3O[C@H]2COCCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312246 KK Annotated Anodyne c1ccc([C@H]2Oc3ccccc3O[C@H]2COCCCCCN2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000169312247 KK Annotated Anodyne CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000169312280 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000169312282 KK Annotated Anodyne C/C(=C\C[C@@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312433 KK Annotated Clean C/C(=C\C[C@@]12O[C@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312436 KK Annotated Clean C/C(=C\C[C@]12O[C@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169312437 KK Annotated Clean Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169312479 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169312480 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169312482 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000169312566 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000169312569 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000169312584 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000169312586 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000169312588 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000169312589 KK Annotated Anodyne CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169312630 KK Annotated Anodyne CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169312633 KK Annotated Anodyne CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169312635 KK Annotated Anodyne O=C1OCC(C(=O)c2cn(Cc3ccc(C(F)(F)F)cc3C(F)(F)F)c3ccc(Cl)cc23)=C1O ZINC000169312669 KK Annotated Mild CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1C ZINC000169312774 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)no1 ZINC000169312776 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1CC ZINC000169312777 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1CCC ZINC000169312778 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n(CCC)n1 ZINC000169312779 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n(CCCC)n1 ZINC000169312780 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nn1CCCC ZINC000169312781 KK Annotated Anodyne CCCCn1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cc1C(=O)Nc1ccc(OCCCN(CC)CC)cc1 ZINC000169312782 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(OC3CCCCC3)cc2)nn1C ZINC000169312783 KK Annotated Anodyne O=C(Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12)C1CCCCC1 ZINC000169312785 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccccn3)cc2)nn1C ZINC000169312786 KK Annotated Anodyne O=C(Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12)C1CCCCC1 ZINC000169312787 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(OC)cc3)cc2)nn1C ZINC000169312788 KK Annotated Anodyne O=C(Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12)C1CCCCC1 ZINC000169312789 KK Annotated Anodyne CCCCOc1cc(OCCCN(CC)CC)ccc1NC(=O)c1cc(-c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)nn1C ZINC000169312790 KK Annotated Anodyne C1=C(c2nccc3c2[nH]c2ccccc23)[C@@H]2CCN3CCCC/C=C\C/C=C/1[C@@H]1N4CCCC/C=C/[C@H]4C[C@@]12C3 ZINC000169312806 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C\C/C=C(\C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]3CC5)[C@@H]4N2CCCC1 ZINC000169312807 KK Annotated Anodyne C1=C(c2nccc3c2[nH]c2ccccc23)[C@@H]2CCN3CCCC/C=C\C/C=C\1[C@@H]1N4CCCC/C=C/[C@H]4C[C@@]12C3 ZINC000169312809 KK Annotated Anodyne CCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169312844 KK Annotated Anodyne CCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169312847 KK Annotated Anodyne CCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169312849 KK Annotated Anodyne O=C(N[C@@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000169312868 KK Annotated Mild O=C(N[C@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000169312869 KK Annotated Mild Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](CS)C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 ZINC000169312870 KK Annotated Mild Cc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](CS)C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 ZINC000169312871 KK Annotated Mild O=C(N[C@@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000169312876 KK Annotated Mild O=C(N[C@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000169312877 KK Annotated Mild O=C(N[C@@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000169312879 KK Annotated Mild O=C(N[C@H](CS)C(=O)N(C(=O)NC1CCCCC1)C1CCCCC1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000169312881 KK Annotated Mild CC(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@@H](CS)C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 ZINC000169312883 KK Annotated Mild CC(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N[C@H](CS)C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)cc1 ZINC000169312884 KK Annotated Mild O=C(Nc1ccccc1C(F)(F)F)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)Nc1ccccc1C(F)(F)F ZINC000169312895 KK Annotated Bother O=C(Nc1ccccc1F)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)Nc1ccccc1F ZINC000169312898 KK Annotated Bother O=C(Nc1cccc(F)c1)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)Nc1cccc(F)c1 ZINC000169312899 KK Annotated Bother O=C(Nc1ccc(F)cc1)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)Nc1ccc(F)cc1 ZINC000169312900 KK Annotated Bother O=C(Nc1cccc([N+](=O)[O-])c1)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000169312905 KK Annotated Bother O=C(Nc1ccc([N+](=O)[O-])cc1)c1nn(-c2cccc([N+](=O)[O-])c2)c(-c2ccccc2)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000169312906 KK Annotated Bother CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312973 KK Annotated Anodyne CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=NC12CCC(C(C)(C)C)CC2 ZINC000169312975 KK Annotated Anodyne CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=NC12CCC(C(C)(C)C)CC2 ZINC000169312978 KK Annotated Anodyne COc1cc(-c2cnc(N3CCC(C#N)CC3)c3nc(Cc4ccc(Cl)cc4Cl)[nH]c23)ccc1F ZINC000169313011 KK Annotated Mild Cc1ccc(-c2c(Cc3c(O)ccc4cc(Br)ccc34)c(=O)on2Cc2ccccc2)cc1 ZINC000169313015 KK Annotated Anodyne COc1c(Cl)c2c(c(OC)c1OC)-c1c(c(Cl)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313191 KK Annotated Anodyne COc1c(I)c2c(c(OC)c1OC)-c1c(c(I)c(OC)c(OC)c1OC)C[C@](C)(O)[C@@H](C)C2 ZINC000169313194 KK Annotated Anodyne COc1c(Br)c2c(c(OC)c1OC)-c1c(c(Br)c3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000169313205 KK Annotated Anodyne COc1c(I)c2c(c(OC)c1OC)-c1c(c(I)c3c(c1OC)OCO3)C[C@H](C)[C@H](C)C2 ZINC000169313207 KK Annotated Anodyne COc1c(O)c2c(c(Br)c1OC)C[C@H](C)[C@H](C)Cc1c(Br)c(OC)c(OC)c(OC)c1-2 ZINC000169313218 KK Annotated Anodyne COc1cc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)ccc(S(=O)(=O)O)c4c3N)c(OC)c2)ccc1/N=N/c1ccc2c(S(=O)(=O)O)ccc(S(=O)(=O)O)c2c1N ZINC000169313311 KK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169313333 KK Annotated Reactive C/C(=C\C[C@@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169313335 KK Annotated Reactive C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169313336 KK Annotated Reactive O=S(=O)(O)c1cc(/N=N/c2cc(S(=O)(=O)O)c3cccnc3c2O)ccc1/C=C/c1ccc(/N=N/c2cc(S(=O)(=O)O)c3cccnc3c2O)cc1S(=O)(=O)O ZINC000169313385 KK Annotated Clean CCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313414 KK Annotated Anodyne CCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313416 KK Annotated Anodyne CCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313418 KK Annotated Anodyne CCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313442 KK Annotated Anodyne CCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313443 KK Annotated Anodyne CCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313444 KK Annotated Anodyne CCO[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313446 KK Annotated Anodyne CCO[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313447 KK Annotated Anodyne CCO[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313448 KK Annotated Anodyne CCO[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313449 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CCO)C[C@H](O)[C@H]3C ZINC000169313450 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CCO)C[C@H](O)[C@H]3C ZINC000169313452 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CCO)C[C@H](O)[C@H]3C ZINC000169313453 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CCO)C[C@H](O)[C@H]3C ZINC000169313454 KK Annotated Mild CCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313468 KK Annotated Anodyne CCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313469 KK Annotated Anodyne CCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313471 KK Annotated Anodyne O=C(N[C@@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169313495 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C\C(C)=C/[C@H]1C ZINC000169313497 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C/C(C)=C\[C@H]1C ZINC000169313498 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C\C(C)=C\[C@H]1C ZINC000169313499 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C/C(C)=C/[C@H]1C ZINC000169313500 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313523 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313524 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313525 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313526 KK Annotated Anodyne O=C(Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1)C1CCCCC1 ZINC000169313529 KK Annotated Anodyne O=C(Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1)C1CCCCC1 ZINC000169313530 KK Annotated Anodyne O=C(Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1)C1CCCCC1 ZINC000169313531 KK Annotated Anodyne CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169313532 KK Annotated Anodyne CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169313533 KK Annotated Anodyne CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169313534 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169313542 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169313543 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169313544 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169313545 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000169313580 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000169313581 KK Annotated Mild Cc1ccc([C@@H]2C=CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2)cc1 ZINC000169313613 KK Annotated Anodyne Cc1ccc([C@H]2C=CC[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2)cc1 ZINC000169313617 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CCCCS(=O)(=O)NC1=O ZINC000169313668 KK Annotated Anodyne CCCO[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313684 KK Annotated Anodyne CCCO[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313685 KK Annotated Anodyne CCCO[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313686 KK Annotated Anodyne CCCO[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169313687 KK Annotated Anodyne CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313706 KK Annotated Anodyne CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313707 KK Annotated Anodyne CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313709 KK Annotated Anodyne CCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313710 KK Annotated Anodyne CCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313711 KK Annotated Anodyne CCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169313712 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C\[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169313730 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C/[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169313731 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C\[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169313732 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C/[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169313733 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OCC[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000169313736 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OCC[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000169313737 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OCC[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000169313738 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OCC[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000169313739 KK Annotated Mild CO[C@H]1C[C@@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313760 KK Annotated Anodyne CO[C@H]1CCC[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C[C@H](C)C[C@@H](OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](C(=O)Oc2ccccc2)[C@H](C)[C@@H](C(C)C)O1 ZINC000169313761 KK Annotated Anodyne CO[C@H]1C[C@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313762 KK Annotated Anodyne CO[C@H]1CCC[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C[C@@H](C)C[C@@H](OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](C(=O)Oc2ccccc2)[C@H](C)[C@@H](C(C)C)O1 ZINC000169313763 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CCS(=O)(=O)NC1=O ZINC000169313774 KK Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169313804 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313824 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313825 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313827 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313829 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C(/C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169313847 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C(/C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169313848 KK Annotated Mild CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313854 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313856 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313857 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169313858 KK Annotated Anodyne CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169313907 KK Annotated Mild CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169313908 KK Annotated Mild CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169313909 KK Annotated Mild CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000169313910 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C[C@H](C2)[C@H]1c1ccccc1 ZINC000169313943 KK Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C[C@H](C2)[C@H]1c1ccccc1 ZINC000169313944 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000169313962 KK Annotated Mild COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N/O[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000169313964 KK Annotated Mild C=CCO[C@H]1[C@@H](O)CO[C@@H](O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)OCCCCCCCCCCCC)[C@@H]1OC(=O)c1ccc(OC)cc1 ZINC000169313978 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169313981 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C[C@H](C2)[C@H]1C(C)(C)C ZINC000169314041 KK Annotated Anodyne CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C[C@H](C2)[C@H]1C(C)(C)C ZINC000169314043 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl ZINC000169314091 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)C(F)(F)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314101 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)C(F)(F)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314104 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)C(F)(F)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314106 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)C(F)(F)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314107 KK Annotated Anodyne CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000169314114 KK Annotated Reactive C=CCNC(=O)N(CC=C)C(=O)N(CC=C)C(=O)O[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CCC1=C ZINC000169314149 KK Annotated Mild C=CCNC(=O)N(CC=C)C(=O)N(CC=C)C(=O)O[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C\CCC1=C ZINC000169314150 KK Annotated Mild C=CCNC(=O)N(CC=C)C(=O)N(CC=C)C(=O)O[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2CC/C(C)=C\CCC1=C ZINC000169314151 KK Annotated Mild O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1[C@@H]2C=C[C@]3(O2)[C@H]1C(=O)N(CCC1=CCCCC1)[C@@H]3C(=O)NC1CCCCC1 ZINC000169314171 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(CCC2=CCCCC2)C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H]3C=C[C@]21O3 ZINC000169314173 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1[C@@H]2C(=O)N(CCC3=CCCCC3)[C@H](C(=O)NC3CCCCC3)[C@]23C=C[C@H]1O3 ZINC000169314175 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(CCC2=CCCCC2)C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@]21O3 ZINC000169314176 KK Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@@H]3C[C@@H](N=[N+]=[N-])[C@@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000169314179 KK Annotated Clean CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@H]3C[C@@H](N=[N+]=[N-])[C@@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000169314182 KK Annotated Clean CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@@H]3C[C@H](N=[N+]=[N-])[C@@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000169314184 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C(F)(F)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314232 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C(F)(F)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314234 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C(F)(F)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314235 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C(F)(F)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169314236 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000169314248 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(/C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000169314249 KK Annotated Mild CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)C/C=C\CCS(=O)(=O)NC1=O ZINC000169314276 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)C/C=C\CS(=O)(=O)NC1=O ZINC000169314294 KK Annotated Anodyne N#Cc1ccc(COC[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000169314295 KK Annotated Mild COc1ccc(C2=NO[C@H](c3ccc([C@@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccccc4)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000169314312 KK Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc([C@@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccc(C)cc4)cc3)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169314321 KK Annotated Anodyne COc1ccc(C2=NO[C@H](c3ccc([C@@H]4ON=C(c5ccc(OC)cc5)[C@H]4S(=O)(=O)c4ccc(Cl)cc4)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000169314332 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C\C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314354 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C/C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314356 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C\C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314358 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)c4ccccc4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314388 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)C(C)(C)C)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314390 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCO)C[C@@](O)(c4ccccc4)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169314393 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000169314462 KK Annotated Anodyne COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)OC ZINC000169314482 KK Annotated Reactive O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000169314533 KK Annotated Bother O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000169314534 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000169314536 KK Annotated Bother C[C@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314559 KK Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCCOC(=O)N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314561 KK Annotated Anodyne CC(C)C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000169314708 KK Annotated Anodyne CC(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000169314711 KK Annotated Anodyne CC(C)C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000169314713 KK Annotated Anodyne CC(C)C[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000169314714 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/Cc2ccccc2S(=O)(=O)NC1=O ZINC000169314808 KK Annotated Anodyne C[C@H]1CCCCCCCCCCCOC(=O)N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169314812 KK Annotated Anodyne CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169314909 KK Annotated Anodyne CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169314911 KK Annotated Anodyne CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169314914 KK Annotated Anodyne CC[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000169314918 KK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000169314931 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCCC3)cc([C@@H](C)[C@@H](C)CCCCC)cc1OC2(C)C ZINC000169314933 KK Annotated Mild CCCCNC(=O)C[C@@H]1C[C@H](O)[C@@H](O)[C@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)O1 ZINC000169315002 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)NCc4ccccc4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169315004 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)NC4CCCCC4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169315007 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)N4CCCCC4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169315009 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)N(C(=O)NC4CCCCC4)C4CCCCC4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169315010 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315012 KK Annotated Anodyne CCC(=O)O[C@H]1C[C@@H](CC(=O)O)O[C@@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)[C@@H]1OC(=O)CC ZINC000169315013 KK Annotated Anodyne CCCC(=O)O[C@H]1C[C@@H](CC(=O)O)O[C@@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)[C@@H]1OC(=O)CCC ZINC000169315014 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@@H]4OC(=O)O[C@@H]34)[C@@H]2C)CC=C1C ZINC000169315016 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315019 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@H](OC(=O)Nc4ccccc4)[C@H]3OC(=O)Nc3ccccc3)[C@@H]2C)CC=C1C ZINC000169315020 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@H](OC(=O)Nc4ccc(Cl)cc4)[C@H]3OC(=O)Nc3ccc(Cl)cc3)[C@@H]2C)CC=C1C ZINC000169315021 KK Annotated Anodyne CCCCNC(=O)C[C@@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](/C=C/[C@@H]2[C@@H](/C=C/[C@@H](C)/C=C(\C)[C@H]3CC=C(C)[C@@H](CC)O3)[C@H]2C)O1 ZINC000169315022 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)NCc4ccccc4)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315023 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)NC4CCCCC4)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315025 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)N4CCCC4)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315028 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)N4CCCCC4)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315030 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)N(C(=O)NC4CCCCC4)C4CCCCC4)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169315032 KK Annotated Anodyne C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@@]2(O)[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@](O)(/C=C(/C)COC(C)=O)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000169315061 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@@H]5C[C@H](C(=C)C7)[C@]85OO)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000169315064 KK Annotated Reactive C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5c6c7c8c(c(Cl)cc7n5Cc5cccc(OC)c5)CC(=C)[C@H]5C[C@@H](C(C)(C)O[C@H]6[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1OCc1cccc(OC)c1)[C@@]85O ZINC000169315067 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1OCc1ccccc1 ZINC000169315069 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1OC ZINC000169315070 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5c6c7c8c(c(Cl)cc7n5C)CC(=C)[C@H]5C[C@@H](C(C)(C)O[C@H]6[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O)[C@@]85O ZINC000169315074 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5c6c7c8c(c(Cl)cc7n5C)CC(=C)[C@H]5C[C@@H](C(C)(C)O[C@H]6[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1OC)[C@@]85O ZINC000169315076 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1OC(=O)c1ccccc1 ZINC000169315078 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Br)c7c8c6c5[C@@H](OC(C)(C)[C@@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000169315079 KK Annotated Mild C=C1Cc2c(Br)cc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000169315081 KK Annotated Mild CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169315105 KK Annotated Mild CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169315106 KK Annotated Mild CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169315107 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCOC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315289 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](OCOCCOC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315291 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCOC)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315292 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](OCOCCOC)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315294 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315330 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](OC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315332 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315333 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](OC)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315335 KK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1CCCC(CCCc1cc(C(C)(C)C)ccc1C)NCCCNCCCNCCCN ZINC000169315415 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(SC(F)(F)F)c1)C(F)(F)F ZINC000169315452 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC000169315454 KK Annotated Mild CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169315524 KK Annotated Mild CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169315525 KK Annotated Mild CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169315527 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](I)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169315608 KK Annotated Reactive CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000169315681 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CCCS(=O)(=O)NC1=O ZINC000169315780 KK Annotated Anodyne CCOC(=O)C[C@H](NCCCCCCCCCCCCN[C@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000169315861 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CC2(CC2)S(=O)(=O)NC1=O ZINC000169315879 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315979 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315981 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315983 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169315985 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)/C(=N\OC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316012 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)\C(=N/OC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316013 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)/C(=N\OC)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316015 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)\C(=N/OC)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169316016 KK Annotated Mild CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CC2(CC2)S(=O)(=O)NC1=O ZINC000169316116 KK Annotated Anodyne CCOC(=O)C[C@H](NCCCCCCCN[C@H](CC(=O)OCC)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000169316159 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)[C@@H]2C)S1 ZINC000169316170 KK Annotated Anodyne CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2c(CNC(=O)CCCCCCCCC(=O)Nc3cccc4c([C@@H](O)[C@@H]5C[C@@H]6CCN5C[C@@H]6CC)ccnc34)cccc12 ZINC000169316244 KK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2c(NC(=O)CCCCCCCCC(=O)NCc3cccc4c([C@H](O)[C@H]5C[C@H]6CCN5C[C@@H]6CC)ccnc34)cccc12 ZINC000169316247 KK Annotated Anodyne CC[C@@]1(O)C[C@H](O[C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000169316583 KK Annotated Clean CC[C@@]1(O)C[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000169316584 KK Annotated Clean CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000169316732 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(OC)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000169316735 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1 ZINC000169316737 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1 ZINC000169316741 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](CO[C@@H]3O[C@@H]4CO[C@H](c5ccccc5)O[C@@H]4[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)[C@H]2C)cc1 ZINC000169316820 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](C)[C@H]2CO[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000169316823 KK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(Br)cc12 ZINC000169316881 KK Annotated Anodyne CCN(CC)CCC[C@H](C)/N=c1\cc(-c2ccc(Cl)c(Cl)c2)sc2ccc(Br)cc12 ZINC000169316883 KK Annotated Anodyne Clc1ccc(-c2c/c(=N\CCCN3CCOCC3)c3cc(Br)ccc3s2)cc1Cl ZINC000169316885 KK Annotated Anodyne OCCN1CCN(CCCC/N=c2\cc(C34CC5CC(CC(C5)C3)C4)sc3ccc(Br)cc23)CC1 ZINC000169316889 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@H]2O ZINC000169317007 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000169317038 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(OC(C)=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)o1)COC(C)=O ZINC000169317040 KK Annotated Anodyne CC[C@@]1(O)C[C@H](O[C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000169317097 KK Annotated Clean CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c(CCO)c(=O)o1)CO ZINC000169317267 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c(CCO)c(=O)o1)CO ZINC000169317270 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)o1)COC(C)=O ZINC000169317294 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@@H](OC(C)=O)C(C)(C)c1cc(=O)c([C@@H]2O[C@H](COC(C)=O)C[C@H](OC(C)=O)[C@H]2OC(C)=O)c(OC)o1)COC(C)=O ZINC000169317299 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169317342 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)Nc3ccc(Oc4ccccc4)cc3)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169317344 KK Annotated Anodyne CCOP(=O)(OCC)[C@@](Oc1ccc(Cl)cc1)(C(=O)OC)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317437 KK Annotated Anodyne CCOP(=O)(OCC)[C@](Oc1ccc(Cl)cc1)(C(=O)OC)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000169317439 KK Annotated Anodyne Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@@H](c2ccc(Br)cc2)N[C@@H]3c2ccc(Br)cc2)cc1 ZINC000169317613 KK Annotated Reactive CC[C@@H]1CN2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@@H]3[C@H]5C[C@@H]6N(CC[C@@]67c6cccc(O)c6N(C(C)=O)[C@@H]37)C[C@H]5CC)[C@H]1C[C@H]24 ZINC000169317764 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](OCCCBr)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000169317834 KK Annotated Reactive CCO[C@]12C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)C(C)C)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@H]2OC ZINC000169317854 KK Annotated Anodyne CCCS[C@]12C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(C)=O)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@H]2OC ZINC000169317859 KK Annotated Anodyne CCCS[C@]12C[C@H](OC(=O)N1)[C@@H](C)[C@@H]1O[C@@]1(C)[C@@H](OC(=O)[C@H](C)N(C)C(=O)C(C)C)CC(=O)N(C)c1cc(cc(OC)c1Cl)C/C(C)=C/C=C/[C@H]2OC ZINC000169317863 KK Annotated Anodyne Fc1cccc([C@H]2N[C@H](c3cccc(F)c3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2cccc(F)c2)C[C@H]3c2cccc(F)c2)c1 ZINC000169318026 KK Annotated Mild Fc1cccc([C@H]2C[C@@H](c3cccc(F)c3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)c1 ZINC000169318028 KK Annotated Mild Fc1cccc([C@H]2C[C@H](c3cccc(F)c3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)c1 ZINC000169318030 KK Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(Cl)ccc54)[C@@H](C)C3)c(F)c21 ZINC000169318071 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000169318140 KK Annotated Mild CC(=O)O[C@H](C/C=C(/C)[C@@H](Cl)C(Br)Br)[C@@](C)(Br)CCl ZINC000169318223 KK Annotated Reactive C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@H]([C@H]3OC[C@@H]5[C@H]6C[C@@H]7N(CC[C@@]78c7ccccc7N3[C@@H]58)C[C@H]6CC)[C@H]1C[C@H]24 ZINC000169318234 KK Annotated Anodyne C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@@]1(O)CF)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169318307 KK Annotated Clean C/C(=C\C[C@@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169318309 KK Annotated Clean C=CC[C@@H](C[C@@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C[C@@H]1CC[C@@H](O)[C@@H](OC)C1 ZINC000169318370 KK Annotated Mild C=CC[C@H](C[C@@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C[C@@H]1CC[C@@H](O)[C@@H](OC)C1 ZINC000169318372 KK Annotated Mild C=CC[C@@H](C[C@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C[C@@H]1CC[C@@H](O)[C@@H](OC)C1 ZINC000169318375 KK Annotated Mild C=CC[C@H](C[C@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C[C@@H]1CC[C@@H](O)[C@@H](OC)C1 ZINC000169318377 KK Annotated Mild C[N+](C)(CCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318413 KK Annotated Bother C[N+](C)(CCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318416 KK Annotated Bother C[N+](C)(CCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000169318423 KK Annotated Bother C[N+](C)(CCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318430 KK Annotated Bother C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)COC(=O)CCCCCCCCCCC)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169318492 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)COC(=O)CCCCCCCCCCC)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169318495 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)COC(=O)CCCCCCCCCCC)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169318497 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)COC(=O)CCCCCCCCCCC)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000169318499 KK Annotated Mild CCCCN(CCCC)CCCNC[C@@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318823 KK Annotated Anodyne CCCCN(CCCC)CCCNC[C@H](O)COc1c(C(C)(C)C)cc(/C=C/c2ccccc2)cc1C(C)(C)C ZINC000169318825 KK Annotated Anodyne CC[C@@H]1CN2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@@H]3[C@H]5C[C@@H]6N(CC[C@@]67c6ccccc6N(C(C)=O)[C@@H]37)C[C@H]5CC)[C@H]1C[C@H]24 ZINC000169318829 KK Annotated Anodyne CCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000169318976 KK Annotated Mild CCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C/C(=O)O2)O1 ZINC000169318977 KK Annotated Mild CCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C/CC/C(C)=C/C(=O)O2)O1 ZINC000169318978 KK Annotated Mild C[N+](C)(CCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318982 KK Annotated Bother C[N+](C)(CCCCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000169318984 KK Annotated Bother C[N+](C)(CCCCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318985 KK Annotated Bother Cc1cc(OCCCCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000169318986 KK Annotated Bother C[N+](C)(CCCCCCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000169318987 KK Annotated Bother C[N+](C)(CCCCCCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318990 KK Annotated Bother Cc1cc(OCCCCCCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000169318991 KK Annotated Bother C[N+](C)(CCCCCCCCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc(Br)o1 ZINC000169318992 KK Annotated Bother CC[C@@](C)(OC(=O)OCC(Cl)(Cl)Cl)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319053 KK Annotated Anodyne CC[C@](C)(OC(=O)OCC(Cl)(Cl)Cl)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 ZINC000169319054 KK Annotated Anodyne COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@H](OC(=O)OCC(Cl)(Cl)Cl)c1ccccc1)OCO4 ZINC000169319058 KK Annotated Anodyne COc1ccc(-n2nc3c4ccccc4n([C@@H]4O[C@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000169319710 KK Annotated Anodyne CCCCCCCCN(C)/C=N/c1ccc2c(c1)C(=O)c1ccc(/N=C/N(C)CCCCCCCC)cc1C2=O ZINC000169319745 KK Annotated Mild N#Cc1cc(NC(=O)C(=O)OC23CC4CC(CC(C4)C2)C3)c(Cl)c(NC(=O)C(=O)OC23CC4CC(CC(C4)C2)C3)c1 ZINC000169319928 KK Annotated Mild Nc1nn([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)c(=S)s1 ZINC000169319950 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169320294 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169320295 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169320297 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169320301 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169320663 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169320666 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169320669 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](C[C@@H](O)c4ccccc4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320837 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](C[C@H](O)c4ccccc4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320838 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](C[C@@H](O)C(C)(C)C)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320840 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](C[C@H](O)C(C)(C)C)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320841 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(O)(CC)CC)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320844 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(O)(C(C)C)C(C)C)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320846 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(O)(c4ccccc4)c4ccccc4)C[C@H](O)[C@H]3O)[C@@H]2C)CC=C1C ZINC000169320848 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCC(=O)O)C[C@@H](C(=O)O)[C@@H]3C(=O)O)[C@@H]2C)CC=C1C ZINC000169320849 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCC(=O)O)C[C@H](C(=O)O)[C@@H]3C(=O)O)[C@@H]2C)CC=C1C ZINC000169320850 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCC(=O)O)C[C@@H](C(=O)O)[C@H]3C(=O)O)[C@@H]2C)CC=C1C ZINC000169320851 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCC(=O)O)C[C@H](C(=O)O)[C@H]3C(=O)O)[C@@H]2C)CC=C1C ZINC000169320852 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCOC(C)=O)C[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]2C)CC=C1C ZINC000169320854 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCC(=O)Nc4ccccc4)C[C@H](OC(=O)Nc4ccccc4)[C@H]3OC(=O)Nc3ccccc3)[C@@H]2C)CC=C1C ZINC000169320855 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CCC(=O)Nc4ccc(Cl)cc4)C[C@H](OC(=O)Nc4ccc(Cl)cc4)[C@H]3OC(=O)Nc3ccc(Cl)cc3)[C@@H]2C)CC=C1C ZINC000169320858 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000169320903 KK Annotated Anodyne CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000169321300 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000169321302 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br ZINC000169321304 KK Annotated Mild CCCCCCCCOc1c(OC)cc(N[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321343 KK Annotated Mild CCCCCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321345 KK Annotated Mild CCCCCCCCOc1c(OC)cc(N[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000169321346 KK Annotated Mild CCCCCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000169321348 KK Annotated Mild CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321361 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321363 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321365 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321368 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2ncccc2c1 ZINC000169321377 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000169321383 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321391 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000169321398 KK Annotated Anodyne CC(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321420 KK Annotated Anodyne CC(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321422 KK Annotated Anodyne CC(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321424 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccccc3)cc2C)cc(OC)c1OC ZINC000169321499 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccc(Cl)cc2)nc2ccccc2c1=O ZINC000169321500 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2cc(O)cc(O)c2)nc2ccccc2c1=O ZINC000169321501 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccc([N+](=O)[O-])s2)nc2ccccc2c1=O ZINC000169321502 KK Annotated Mild COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc(C(C)(C)C)cc3)cc2C)cc1O ZINC000169321504 KK Annotated Mild COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc(C(C)(C)C)cc3)cc2C)cc1OC ZINC000169321505 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2c(Cl)cccc2Cl)nc2ccccc2c1=O ZINC000169321508 KK Annotated Mild COc1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C#Cc3ccc(C(C)(C)C)cc3)cc2C)cc(OC)c1OC ZINC000169321509 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O ZINC000169321513 KK Annotated Mild Cc1cc(C#Cc2ccc(C(C)(C)C)cc2)ccc1-n1c(/C=C/c2ccnc3ccccc23)nc2ccccc2c1=O ZINC000169321518 KK Annotated Mild CC1(C)C[C@@H]2C[C@@](C)(CN2CCC(=O)Nc2ccc3c(c2)C(=O)[C@@H]2C=CC(NC(=O)CCN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)=C[C@@H]2C3=O)C1 ZINC000169321523 KK Annotated Clean CC1(C)C[C@H]2C[C@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000169321525 KK Annotated Clean COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccc6ccccc6c5)nc5ccccc5c4=O)c(C)c3)ccc2c1 ZINC000169321527 KK Annotated Mild CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)Nc2ccc3c(c2)C(=O)[C@@H]2C=CC(NC(=O)CCN4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)=C[C@@H]2C3=O)C1 ZINC000169321528 KK Annotated Clean COc1ccc2cc(C#Cc3ccc(-n4c(/C=C/c5ccnc6ccccc56)nc5ccccc5c4=O)c(C)c3)ccc2c1 ZINC000169321529 KK Annotated Mild CC1(C)C[C@H]2C[C@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000169321530 KK Annotated Clean Nc1ccc2cc(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(/N=N/c7cccc([N+](=O)[O-])c7)c(N)c6c5O)cc4)cc3)c(O)c2c1 ZINC000169321605 KK Annotated Clean CC(=O)CC(C)(C)NC(=O)/C=C/c1c2ccccc2c(/C=C/C(=O)NC(C)(C)CC(C)=O)c2ccccc12 ZINC000169321724 KK Annotated Bother CC(C)(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321849 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321854 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321858 KK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169321863 KK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169321867 KK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169321871 KK Annotated Anodyne CCCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321875 KK Annotated Anodyne CCCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321878 KK Annotated Anodyne CCCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169321881 KK Annotated Anodyne CCCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169321884 KK Annotated Anodyne CCCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169321887 KK Annotated Anodyne CCCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169321889 KK Annotated Anodyne CCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(OC)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321913 KK Annotated Anodyne CCCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(OC)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321914 KK Annotated Anodyne CCCCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(OC)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321916 KK Annotated Anodyne O=c1[nH]c(=S)n(Cc2ccccc2)c(-c2ccccc2)c1Cc1c(Cc2ccccc2)ccc2ccccc12 ZINC000169321918 KK Annotated Anodyne COc1ccc(Cn2c(-c3ccccc3)c(Cc3c(Cc4ccccc4)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321920 KK Annotated Anodyne CCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(Cc4ccccc4)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321922 KK Annotated Anodyne CCCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(Cc4ccccc4)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321925 KK Annotated Anodyne CCCOc1ccc(Cn2c(-c3ccccc3)c(Cc3c(O)ccc4ccccc34)c(=O)[nH]c2=S)cc1 ZINC000169321936 KK Annotated Anodyne O=C(/C=C/c1ccc(OCc2ccc(I)cc2)cc1)/C=C/c1cccc(Cl)c1Cl ZINC000169322204 KK Annotated Mild Cc1ccc(S(=O)(=O)N2C/C(=C\c3c(Cl)cccc3Cl)C(=O)/C(=C/c3c(Cl)cccc3Cl)C2)cc1 ZINC000169322738 KK Annotated Mild Cc1ccc(S(=O)(=O)N2C/C(=C\c3cc(F)cc(F)c3)C(=O)/C(=C/c3cc(F)cc(F)c3)C2)cc1 ZINC000169322742 KK Annotated Mild CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000169323163 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000169323165 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000169323168 KK Annotated Anodyne CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000169323234 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000169323236 KK Annotated Mild CCOC(=O)CCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000169323239 KK Annotated Clean O=C(Nc1c(Br)ccnc1Br)C(=O)c1cc(Cc2ccc(F)cc2)n2ccccc12 ZINC000169323280 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323420 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323421 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323424 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169323426 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2-c2cc3cc(Cl)ccc3n2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169323486 KK Annotated Anodyne C[C@H]1CC[C@H]2[C@@](CCCCc3ccccc3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000169323545 KK Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](C[C@@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169323548 KK Annotated Reactive C[C@H]1CC[C@H]2[C@@](CCCCc3ccccc3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000169323551 KK Annotated Reactive C[C@H]1CC[C@H]2[C@@H](C[C@@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000169323554 KK Annotated Reactive CN(C)CCCN(C)[C@@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323978 KK Annotated Anodyne CN(C)CCCN(C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(Cc3ccc(Cl)cc3)ncn2-c2ccccc2)C1 ZINC000169323980 KK Annotated Anodyne COc1cc(-c2cc(NC(=O)Nc3ccc(OCCN(C)C)cc3)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000169323989 KK Annotated Mild CCN(CC)CCOc1ccc(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(/C(C)=N/O)c(OC)c3)c2)cc1 ZINC000169323992 KK Annotated Mild COc1cc(-c2cc(NC(=O)Nc3cc(OCCN(C)C)ccc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000169324005 KK Annotated Mild CCN(CC)CCOc1ccc(C)c(NC(=O)Nc2cc(OC)c(OC)c(-c3ccc(/C(C)=N/O)c(OC)c3)c2)c1 ZINC000169324007 KK Annotated Mild COc1cc(-c2cc(NC(=O)Nc3cc(OCCCN(C)C)ccc3C)cc(OC)c2OC)ccc1/C(C)=N/O ZINC000169324009 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169324023 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169324026 KK Annotated Mild O=C(O[C@@H]1C=C[C@@H](n2ccc(=O)n(C(=O)c3cc(Cl)cc(Cl)c3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324106 KK Annotated Anodyne O=C(O[C@H]1C=C[C@@H](n2ccc(=O)n(C(=O)c3cc(Cl)cc(Cl)c3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324108 KK Annotated Anodyne O=C(O[C@@H]1C=C[C@H](n2ccc(=O)n(C(=O)c3cc(Cl)cc(Cl)c3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324110 KK Annotated Anodyne O=C(O[C@H]1C=C[C@H](n2ccc(=O)n(C(=O)c3cc(Cl)cc(Cl)c3)c2=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000169324111 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000169324366 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000169324369 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324370 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324373 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324376 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324377 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)n1)c1nc(C(=O)OC)co1 ZINC000169324668 KK Annotated Anodyne COC(=O)/C=C1/S/C(=N\C(=O)c2ccccc2Br)N(c2cccc(Cl)c2Cl)C1=O ZINC000169324801 KK Annotated Mild COC(=O)/C=C1/S/C(=N\C(=O)c2ccccc2Br)N(c2ccc(Cl)cc2Cl)C1=O ZINC000169324802 KK Annotated Mild O=C1c2ccc(/N=C(\c3ccccc3)N3CCCCC3)cc2C(=O)c2ccc(/N=C(\c3ccccc3)N3CCCCC3)cc21 ZINC000169324847 KK Annotated Mild CCN(CC)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(/N(CC)CC)C(C)(C)C)cc1C2=O)C(C)(C)C ZINC000169324852 KK Annotated Mild CN(C)/C(=N/c1ccc2c(c1)C(=O)c1ccc(/N=C(\c3ccc(Cl)cc3)N(C)C)cc1C2=O)c1ccc(Cl)cc1 ZINC000169324854 KK Annotated Mild Cc1[nH]n(-c2ccc(OCc3ccccc3)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169324892 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324939 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324943 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324945 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169324948 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325008 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325011 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325013 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325015 KK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@H]1C[C@H](C)CN[C@@H]1[C@H]2C ZINC000169325043 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000169325141 KK Annotated Bother CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2c1c2ccc(n2)c(-c2ccc(Cl)cc2)c2ccc([nH]2)c([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c2ccc(n2)c(-c2ccc(Cl)cc2)c2ccc1[nH]2 ZINC000169325144 KK Annotated Bother CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2c1c2ccc(n2)c(-c2ccsc2)c2ccc([nH]2)c([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)c2ccc(n2)c(-c2ccsc2)c2ccc1[nH]2 ZINC000169325148 KK Annotated Bother CC(C)COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169325183 KK Annotated Reactive CC(C)COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169325186 KK Annotated Reactive COCCOc1ccccc1N1CCN(C(=O)[C@]2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)[C@@H]2CCO)CC1 ZINC000169325188 KK Annotated Anodyne CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169325206 KK Annotated Anodyne Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CCCCCCCC(=O)O)C3=O)c3ccccc32)cc1 ZINC000169325267 KK Annotated Clean COc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4C(O)=CC(c5ccccc5)=N[C@@H]34)cc2)cc1OC ZINC000169325282 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325283 KK Annotated Anodyne COc1ccc(CN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4C(O)=CC(c5ccccc5)=N[C@@H]34)cc2)cc1OC ZINC000169325284 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325287 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325290 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325293 KK Annotated Anodyne CC[N+](CC)(CC)CCOCCOCCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 ZINC000169325357 KK Annotated Bother O=C1CCc2cc(Br)c(c(Br)c2)Oc2cc(ccc2O)CCC(=O)NCCc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)CCN1 ZINC000169325362 KK Annotated Anodyne N[C@H]1Cc2ccc(O)c(c2)Oc2c(Br)cc(cc2Br)C[C@@H](N)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)CCNC1=O ZINC000169325363 KK Annotated Anodyne Nc1cc2cc(c1O)Oc1c(Br)cc(cc1Br)CCNC(=O)/C(=N/O)Cc1cc(N)c(O)c(c1)Oc1c(Br)cc(cc1Br)C/C(=N/O)C(=O)NCC2 ZINC000169325365 KK Annotated Mild CC[C@H](C)[C@H](NC(=O)c1csc([C@@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)[C@@H](C)CC)n1)c1nc(C(=O)OC)co1 ZINC000169325371 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)c1csc([C@@H](NC(=O)c2csc(CNC(=O)OC(C)(C)C)n2)[C@@H](C)CC)n1)c1nc(C(=O)OC)c(C)o1 ZINC000169325378 KK Annotated Anodyne CC(C)Oc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169325430 KK Annotated Reactive CC(C)Oc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169325432 KK Annotated Reactive CC(C)(C)OC(=O)c1[nH]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169325438 KK Annotated Clean Cc1cn([C@H]2CCCN(Cc3cccc(Oc4cc(F)cc(Cl)c4)c3Br)C2)c(=O)[nH]c1=O ZINC000169325525 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325547 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)/C=C(\C)C2=C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169325551 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325553 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)/C=C(\C)C2=C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169325554 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)/C=C(\C)C2=C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169325557 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325558 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)/C=C(\C)C2=C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169325560 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169325562 KK Annotated Anodyne N#CCCSC1=NC(c2cccc(Br)c2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169325566 KK Annotated Mild N#CCCSC1=NC(c2cccc(Br)c2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169325568 KK Annotated Mild CCCCCCN(CCCCCC)C(=O)c1cc2cc(Br)cc(Br)c2oc1=O ZINC000169325575 KK Annotated Anodyne O=C(Sc1ccc(Br)cc1)c1cc2cc(Br)c(Br)cc2oc1=O ZINC000169325587 KK Annotated Anodyne CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169325652 KK Annotated Clean CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(Cl)cc3)CC2)cc1 ZINC000169325654 KK Annotated Clean CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169325656 KK Annotated Clean NS(=O)(=O)c1ccc(/N=N/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000169325740 KK Annotated Clean CN(CCCCCl)[P@@](=O)(C[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl)OCc1ccc([N+](=O)[O-])cc1 ZINC000169325846 KK Annotated Reactive CCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCC ZINC000169325943 KK Annotated Mild CN(C)CCCCC(C)(C)COC(=O)c1ccc2c(c1)sc1ccc(C(=O)OCC(C)(C)CCCN(C)C)cc12 ZINC000169325950 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(CCC[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169326003 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(CCC[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169326005 KK Annotated Mild COc1ccc(Nc2c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)nc3ccc(Br)cn23)cc1 ZINC000169326057 KK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3[C@@H]2S[C@@H](/C=C/c2ccccc2)N3NC(=O)c2c(C)csc2NC(=O)c2ccccc2)cc1 ZINC000169326068 KK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3[C@H]2S[C@@H](/C=C/c2ccccc2)N3NC(=O)c2c(C)csc2NC(=O)c2ccccc2)cc1 ZINC000169326072 KK Annotated Anodyne CCOC(=O)c1cn(Cc2cccc(Cl)c2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326081 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccc(Cl)cc2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326086 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326088 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccc3[nH]ccc3c2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326092 KK Annotated Anodyne CC(C)C[C@H](Nc1c(Nc2ccc(C(C)(C)C)cc2)c(=O)c1=O)C(=O)NN(Cc1ccccc1)C(=O)/C=C/S(=O)(=O)c1ccccc1 ZINC000169326161 KK Annotated Reactive CCOC(=O)c1csc(-c2coc(-c3coc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n3)n2)n1 ZINC000169326220 KK Annotated Anodyne COC(=O)c1nc(-c2csc(-c3csc(-c4coc(-c5coc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n5)n4)n3)n2)oc1-c1ccccc1 ZINC000169326223 KK Annotated Anodyne CCOC(=O)c1csc(-c2csc(-c3csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n3)n2)n1 ZINC000169326227 KK Annotated Anodyne COC(=O)c1nc(-c2csc(-c3csc(-c4csc(-c5csc([C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)n5)n4)n3)n2)oc1-c1ccccc1 ZINC000169326229 KK Annotated Anodyne O=C(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)c1cc(Cc2ccc(F)cc2)n2ccccc12 ZINC000169326236 KK Annotated Anodyne Cc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(/N=N/c5ccc6cc(S(=O)(=O)O)ccc6c5)c(S(=O)(=O)O)cc4c3)ccc2c1O ZINC000169326246 KK Annotated Clean O=C(CSc1nc2ccc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2s1)c1ccc2ccccc2c1 ZINC000169326358 KK Annotated Anodyne Cc1ccc(NC(=O)CSc2nc3ccc(NS(=O)(=O)c4ccc5ccncc5c4)cc3s2)cc1 ZINC000169326371 KK Annotated Anodyne C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169326409 KK Annotated Mild C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169326412 KK Annotated Mild C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169326415 KK Annotated Mild C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169326419 KK Annotated Mild C=CCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCC=C ZINC000169326446 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC ZINC000169326482 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326504 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326506 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326507 KK Annotated Anodyne c1ccc(CN[C@@H]2[C@@H]3N(Cc4ccccc4)[C@@H]4[C@H](N2Cc2ccccc2)N(Cc2ccccc2)[C@@]2(C[C@@H]2N3Cc2ccccc2)N4Cc2ccccc2)cc1 ZINC000169326508 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326510 KK Annotated Anodyne c1ccc(CN[C@H]2[C@@H]3N(Cc4ccccc4)[C@@H]4[C@H](N2Cc2ccccc2)N(Cc2ccccc2)[C@@]2(C[C@@H]2N3Cc2ccccc2)N4Cc2ccccc2)cc1 ZINC000169326512 KK Annotated Anodyne c1ccc(CN[C@@H]2[C@H]3N(Cc4ccccc4)[C@@H]4[C@H](N2Cc2ccccc2)N(Cc2ccccc2)[C@@]2(C[C@@H]2N3Cc2ccccc2)N4Cc2ccccc2)cc1 ZINC000169326514 KK Annotated Anodyne c1ccc(CN[C@H]2[C@H]3N(Cc4ccccc4)[C@@H]4[C@H](N2Cc2ccccc2)N(Cc2ccccc2)[C@@]2(C[C@@H]2N3Cc2ccccc2)N4Cc2ccccc2)cc1 ZINC000169326517 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169326563 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169326566 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169326567 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169326570 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCCCC ZINC000169326602 KK Annotated Mild C=C(C=O)[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)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1 ZINC000169326655 KK Annotated Reactive C=C(C=O)[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)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1 ZINC000169326658 KK Annotated Reactive C=C(C=O)[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)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1 ZINC000169326661 KK Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326720 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326723 KK Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326727 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169326730 KK Annotated Reactive CCOC(=O)c1cn(CCc2ccc(Cl)cc2)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169326752 KK Annotated Anodyne CCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326872 KK Annotated Anodyne CCC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326875 KK Annotated Anodyne O=C(O)/C=C\CCCN1C(=O)C[C@]23CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@@H]2CC4)[C@H]13 ZINC000169326886 KK Annotated Anodyne O[C@@H]1CC[C@@]23C[C@]45CN6CCCC/C=C\CC[C@](O)(C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]4CC6)[C@@H]5N2CC[C@@H]1O3 ZINC000169326891 KK Annotated Anodyne CN(CCCCCl)[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl ZINC000169326895 KK Annotated Reactive CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326959 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326961 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326964 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169326967 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326969 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326971 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326973 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Cl)c1 ZINC000169326976 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326980 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169326982 KK Annotated Bother CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326983 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169326985 KK Annotated Bother CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326986 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(F)cc1 ZINC000169326988 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccc(N(C)C)cc3)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169326989 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326991 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccc(N(C)C)cc3)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169326992 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326993 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326995 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1F ZINC000169326997 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169326998 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccccc3O)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169327000 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169327001 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccccc3O)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169327003 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169327004 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(F)c1 ZINC000169327006 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327008 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327011 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327013 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1OC ZINC000169327016 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327018 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327020 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327024 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(OC)c1 ZINC000169327026 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327028 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327031 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327033 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(OC)cc1 ZINC000169327035 KK Annotated Clean COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4Sc5ccccc5N[C@@H]34)cc2)cc1OC ZINC000169327036 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327038 KK Annotated Clean COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4Sc5ccccc5N[C@@H]34)cc2)cc1OC ZINC000169327039 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327041 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327043 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1 ZINC000169327045 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc12 ZINC000169327047 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc12 ZINC000169327048 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc12 ZINC000169327050 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc2ccccc12 ZINC000169327052 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327054 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327055 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327059 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc2ccccc2c1 ZINC000169327062 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327065 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327066 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327068 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(C)c1 ZINC000169327070 KK Annotated Clean CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCCCC ZINC000169327301 KK Annotated Mild C=C1Cc2c(Br)cc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@]41C ZINC000169327416 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Br)c7c8c6c5[C@@H](OC(C)(C)[C@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000169327417 KK Annotated Mild O=C(OCc1ccccc1)N1CC[C@@H](NCc2ccccc2)C[C@H]1[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169327528 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H](NCc2ccccc2)C[C@H]1[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169327530 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H](NCc2ccccc2)C[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169327531 KK Annotated Anodyne Cc1ccc(F)cc1[C@@H]1NC(=O)C[C@H](c2ccccc2OC(C)(C)C(=O)N2CCC(F)(F)CC2)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169327623 KK Annotated Anodyne CCOC(=O)N1CCN(C(=O)[C@@]2(Sc3ccccc3)CC(=O)N(Cc3ccc(C#N)cc3)[C@@H]2c2c[nH]c3cc(Cl)ccc23)CC1 ZINC000169327633 KK Annotated Mild COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3CCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)cc1 ZINC000169327643 KK Annotated Anodyne COc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(OC)cc4)ccc2n3CCCCCOc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)cc1 ZINC000169327645 KK Annotated Anodyne C=CCc1cc(C)c(O)c(C)c1CCCCN(CCCCc1c(CC=C)cc(C)c(O)c1C)Cc1ccccc1 ZINC000169327718 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000169327741 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000169327745 KK 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)c2cncc(Br)c2)[C@@]13C(=O)O ZINC000169327748 KK Annotated Mild Cc1cn(-c2c(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169327768 KK Annotated Mild Cc1cn(-c2c(-c3cc(-c4ccc(Br)cc4)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169327779 KK Annotated Mild CCOC(=O)c1cn(Cc2cccc(Cl)c2F)c2nc(N3CCN(c4nc5ccccc5s4)CC3)ccc2c1=O ZINC000169327914 KK Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000169327920 KK Annotated Anodyne CCCCCCCCCCCCOCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCOCCCCCCCCCCCC ZINC000169328035 KK Annotated Mild CCCCSCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCSCCCC ZINC000169328037 KK Annotated Anodyne COC(=O)[C@@]12CC[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@](C)(Cl)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C/[C@H]12 ZINC000169328079 KK Annotated Anodyne C=CCN(CC=C)CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCCN(CC=C)CC=C)cc3c2c1 ZINC000169328142 KK Annotated Mild CCCCCCc1ccc(C(=O)NCCn2cc(Cc3c(Br)[nH]c4ccccc34)nn2)cc1 ZINC000169328198 KK Annotated Anodyne CCCCCCCc1ccc(C(=O)NCCn2cc(Cc3c(Br)[nH]c4ccccc34)nn2)cc1 ZINC000169328199 KK Annotated Mild Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(N)cc1 ZINC000169328264 KK Annotated Anodyne Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000169328267 KK Annotated Anodyne N#CCCSC1=NC(c2ccc(Br)cc2)=C[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169328353 KK Annotated Mild N#CCCSC1=NC(c2ccc(Br)cc2)=C[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 ZINC000169328354 KK Annotated Mild CC(C)(C)c1ccc(-c2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)nn2)cc1 ZINC000169328360 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn(CC[C@@]3(O)NC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)nn2)cc1 ZINC000169328393 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn(CC[C@]3(O)NC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)nn2)cc1 ZINC000169328396 KK Annotated Anodyne Cc1ccc(F)cc1[C@@H]1NC(=O)C[C@H](c2cc(Cl)cnc2CC(C)(C)C(=O)O)[C@@]12C(=O)Nc1cc(Cl)ccc12 ZINC000169328529 KK Annotated Anodyne C=CCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCC=C ZINC000169328562 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCCCCCC ZINC000169328722 KK Annotated Mild CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N(C)C)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169328753 KK Annotated Anodyne CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169328770 KK Annotated Mild CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169328774 KK Annotated Mild CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169328775 KK Annotated Mild CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169328777 KK Annotated Mild CCCCCCCCN1C(=O)C(OCc2ccccc2)=C(OCc2ccccc2)[C@@]1(O)CCn1cc(-c2ccccn2)nn1 ZINC000169328870 KK Annotated Mild CCCCCCCCN1C(=O)C(OCc2ccccc2)=C(OCc2ccccc2)[C@]1(O)CCn1cc(-c2ccccn2)nn1 ZINC000169328872 KK Annotated Mild CC(C)(C)c1ccc(-c2cn(CC[C@@]3(O)C(OCc4ccccc4)=C(OCc4ccccc4)C(=O)N3CCc3ccccc3)nn2)cc1 ZINC000169328875 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn(CC[C@]3(O)C(OCc4ccccc4)=C(OCc4ccccc4)C(=O)N3CCc3ccccc3)nn2)cc1 ZINC000169328878 KK Annotated Anodyne CCCCCCCCN1C(=O)C(OCc2ccccc2)=C(OCc2ccccc2)/C1=C/Cn1cc(-c2ccccn2)nn1 ZINC000169328881 KK Annotated Mild CCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)[C@@H](C)[C@@H]6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]3C ZINC000169328886 KK Annotated Bother CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000169328928 KK 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)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000169328930 KK 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)C2CCN(C(=O)OC(C)(C)C)CC2)[C@@]13C(=O)O ZINC000169328932 KK Annotated Mild Cc1[nH]n(-c2cccc(NC(=O)Nc3cccc(-n4[nH]c(C)c(/N=N/c5c(O)cc(S(=O)(=O)O)c6cc([N+](=O)[O-])ccc56)c4=O)c3)c2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2cc([N+](=O)[O-])ccc12 ZINC000169328946 KK Annotated Clean Cc1cn(-c2c(-c3cc(-c4ccc5c(c4)OC(C)(C)O5)nc(N)c3C#N)c(C)nn2-c2ccccc2)cn1 ZINC000169328954 KK Annotated Mild CCCCCCC(=O)N[C@H]1CCc2c(Cl)c(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 ZINC000169329074 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccc(N)cc45)cc3)cc2N)cc1 ZINC000169329263 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169329318 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169329321 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccc(Br)cc3)nc(N3C[C@@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169329333 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@H](C)c3ccc(Br)cc3)nc(N3C[C@@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169329334 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccc(Br)cc3)nc(N3C[C@@H]4C[C@@H]3CN4S(=O)(=O)c3ccccc3OC(F)(F)F)n2)Cc2ccccc2C1 ZINC000169329337 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccc(Br)cc3)nc(N3C[C@H]4C[C@@H]3CN4S(=O)(=O)c3ccccc3OC(F)(F)F)n2)Cc2ccccc2C1 ZINC000169329340 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3C[C@@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169329342 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3C[C@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169329344 KK Annotated Anodyne CCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1F)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329356 KK Annotated Anodyne CCC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1F)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329358 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H](NCc2ccccc2)C[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 ZINC000169329371 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H]2OC(C)(C)O[C@@H]([C@@H]2C)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329437 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H]2OC(C)(C)O[C@@H]([C@@H]2C)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329440 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H]2OC(C)(C)O[C@@H]([C@@H]2C)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329443 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H]2OC(C)(C)O[C@@H]([C@@H]2C)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169329444 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)OC(C)(C)C)c(CCC(=O)OCc3ccccc3)c2)cc1 ZINC000169329505 KK Annotated Anodyne O=C(O)COc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1CCC(=O)OCc1ccccc1 ZINC000169329507 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)O)c(CCC(=O)OCc3ccccc3)c2)cc1 ZINC000169329508 KK Annotated Anodyne CC(C)(C)OC(=O)COc1ccc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc1CCC(=O)O ZINC000169329510 KK Annotated Anodyne CCCCCCCCCCCOC(=O)CCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCC(=O)OCCCCCCCCCCC ZINC000169329513 KK Annotated Mild Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)O)c(CCC(=O)NCc3ccccc3)c2)cc1 ZINC000169329514 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)O)c(CCC(=O)NCCc3ccccc3)c2)cc1 ZINC000169329516 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)O)c(CCC(=O)OCCc3ccccc3)c2)cc1 ZINC000169329517 KK Annotated Anodyne O=C(O)COc1cc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)ccc1CCC(=O)OCc1ccccc1 ZINC000169329529 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(CCC(=O)OCc3ccccc3)c(OCC(=O)O)c2)cc1 ZINC000169329531 KK Annotated Anodyne CC(C)(C)OC(=O)COc1cc(NC(=O)Cc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)ccc1CCC(=O)O ZINC000169329533 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(CCC(=O)O)c(OCC(=O)OC(C)(C)C)c2)cc1 ZINC000169329535 KK Annotated Anodyne CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169329591 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC(=O)[C@]5(C)CCC[C@]6(C)[C@@H]5CC[C@@]57CC(=O)[C@@](C)(CC[C@@H]65)C7)[C@H]4CC[C@]3(CC1=O)C2 ZINC000169329606 KK Annotated Bother C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCOC(=O)[C@]5(C)CCC[C@]6(C)[C@@H]5CC[C@@]57CC(=O)[C@@](C)(CC[C@@H]65)C7)[C@H]4CC[C@]3(CC1=O)C2 ZINC000169329608 KK Annotated Bother C[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)OCC[N+](C)(C)Cc4ccccc4)[C@@H]2CC[C@]1(Cl)C3 ZINC000169329612 KK Annotated Bother CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)[C@@H](C)CCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000169329653 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)[C@@H](C)CCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000169329658 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169329668 KK Annotated Mild CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169329672 KK Annotated Mild CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169329673 KK Annotated Mild CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169329677 KK Annotated Mild CCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCC ZINC000169329694 KK Annotated Mild CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)Sc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169329713 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)Sc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169329716 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169329809 KK Annotated Anodyne Br[C@@H](COc1cccc2c[n+](Cc3ccccc3)ccc12)CN(Cc1ccccc1)Cc1ccccc1 ZINC000169329861 KK Annotated Reactive Br[C@H](COc1cccc2c[n+](Cc3ccccc3)ccc12)CN(Cc1ccccc1)Cc1ccccc1 ZINC000169329862 KK Annotated Reactive CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000169329868 KK 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)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000169329870 KK 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)c2nccc4ccccc24)[C@@]13C(=O)O ZINC000169329872 KK Annotated Mild O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O ZINC000169329951 KK Annotated Anodyne O=C1CCCC[C@@]12[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000169329953 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CCCCC1=O ZINC000169329955 KK Annotated Anodyne O=C1CCCC[C@@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000169329956 KK Annotated Anodyne CC[C@@H](c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329986 KK Annotated Anodyne CC[C@H](c1ccc(Br)c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169329988 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@@H](CC(C)C)c3ccc(C#N)c(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O ZINC000169330006 KK Annotated Mild CNC(=O)c1cc2c(cc1C(=O)NC[C@H](NS(=O)(=O)c1c(Cl)sc(Cl)c1Br)C(=O)OC(C)(C)C)CN(C(=O)CCC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000169330007 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(C#N)c(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O ZINC000169330008 KK Annotated Mild CCOC(=O)c1[nH]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000169330026 KK Annotated Clean CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)COc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169330045 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)COc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169330046 KK Annotated Anodyne Cc1[nH]n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)c(=O)c1/N=N/c1cc(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)O)c3)n2)ccc1S(=O)(=O)O ZINC000169330052 KK Annotated Clean Cc1csc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5nc(C)cs5)cc4OC(C)C)o3)c(OC(C)C)c2)n1 ZINC000169330122 KK Annotated Anodyne CC1(C)OC(=O)C(Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)O1 ZINC000169330180 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCC ZINC000169330192 KK Annotated Mild CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169330237 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169330242 KK Annotated Anodyne O=C(/C=C/c1ccc(OCc2cccc(I)c2)cc1)/C=C/c1cccc(Cl)c1Cl ZINC000169330341 KK Annotated Mild CCCCCCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6nc(cc1n2)[C@H](C)[C@H]6CC)[nH]c45)[C@@H](CCC(=O)OCCC)[C@@H]3C ZINC000169330345 KK Annotated Mild COC(=O)c1cnc2ccc(NC(=O)c3ccc4c(c3)c3cc(NC(=O)c5cc6cc(NC(=O)CCCN(C)C)ccc6o5)ccc3n4C)cc2c1 ZINC000169330415 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169330532 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169330533 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169330534 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169330536 KK Annotated Clean Cc1ccc(-n2[nH]c(-c3ccccc3)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1C ZINC000169330543 KK Annotated Clean CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCCCC ZINC000169330557 KK Annotated Mild CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169330589 KK Annotated Anodyne CC(C)CCN(CCCOC(=O)c1ccc2c(c1)sc1ccc(C(=O)OCCCN(CCC(C)C)CCC(C)C)cc12)CCC(C)C ZINC000169330679 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2cc(Br)cs2)ccc1-c1ccc(-c2ccc(NC(=N)c3cc(Br)cs3)cc2OC(C)C)o1 ZINC000169330738 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169330898 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169330900 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169330902 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169330904 KK Annotated Anodyne CCCCCCCCCCCCCCCC[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 ZINC000169330909 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000169330911 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000169330913 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000169330915 KK Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@H]1c3c(ccc4c(=O)c(-c5ccccc5)c(C)oc34)OC[C@@H]1C(C)(C)O2 ZINC000169330942 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccccc3)nc(N3C[C@@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169330970 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccccc3)nc(N3C[C@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169330972 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@H](C)c3ccccc3)nc(N3C[C@@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169330976 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@H](C)c3ccccc3)nc(N3C[C@H]4C[C@@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169330980 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000169330983 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000169330985 KK 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)c2ccc(I)cc2)[C@@]13C(=O)O ZINC000169330987 KK Annotated Mild O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2C[C@H]1CN2c1nc(NCCc2ccc(Cl)c(Cl)c2)nc(NC2(C(=O)O)Cc3ccccc3C2)n1 ZINC000169331002 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2C[C@@H]1CN2c1nc(NCCc2ccc(Cl)c(Cl)c2)nc(NC2(C(=O)O)Cc3ccccc3C2)n1 ZINC000169331005 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2C[C@@H]1CN2c1nc(NCCc2ccc(Cl)c(Cl)c2)nc(NC2Cc3ccccc3C2)n1 ZINC000169331007 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2C[C@@H]1CN2c1nc(NCCc2ccc(Cl)c(Cl)c2)nc(NC2Cc3ccccc3C2)n1 ZINC000169331008 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2C[C@H]1CN2c1nc(NCCc2ccc(Cl)c(Cl)c2)nc(NC2Cc3ccccc3C2)n1 ZINC000169331010 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2C[C@H]1CN2c1nc(NCCc2ccc(Cl)c(Cl)c2)nc(NC2Cc3ccccc3C2)n1 ZINC000169331012 KK Annotated Anodyne C[C@H](C(=O)O)N1CC=C(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)C1=O ZINC000169331035 KK Annotated Anodyne C[S@@](=O)CCCN1CC=C(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)C1=O ZINC000169331037 KK Annotated Anodyne C[S@](=O)CCCN1CC=C(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)C1=O ZINC000169331039 KK Annotated Anodyne CC(C)[C@@H](C(=O)O)N1CC(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)=CC1=O ZINC000169331043 KK Annotated Anodyne O=c1nc2ccc(Br)cn2cc1Cc1cccc(Oc2nc(Cl)c(Cl)cc2Cl)c1 ZINC000169331052 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331095 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331098 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331100 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331103 KK Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(C)cc2)C[C@H]3c2ccc(C)cc2)cc1 ZINC000169331154 KK Annotated Mild Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169331156 KK Annotated Mild Cc1ccc([C@H]2C[C@H](c3ccc(C)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000169331158 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331200 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331203 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331205 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331207 KK Annotated Bother CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169331229 KK Annotated Anodyne CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169331236 KK Annotated Mild CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169331237 KK Annotated Mild CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169331238 KK Annotated Mild CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169331241 KK Annotated Mild COc1cc(NS(=O)(=O)CCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)c(OC)c2)ccc1Nc1c2c(nc3ccccc13)CC=CO2 ZINC000169331256 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331268 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331269 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331270 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331271 KK Annotated Anodyne Cc1c(N)cc(S(=O)(=O)O)c(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6cccc([N+](=O)[O-])c6)c(N)c5c4O)cc3)cc2)c1N ZINC000169331289 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169331316 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)COc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Cl ZINC000169331317 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331329 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331330 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331332 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 ZINC000169331334 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331336 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331337 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331338 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccccc1Br ZINC000169331339 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331340 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331342 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331343 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1cccc(Br)c1 ZINC000169331344 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331345 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331346 KK Annotated Clean CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331347 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1 ZINC000169331348 KK Annotated Clean C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCC ZINC000169331390 KK Annotated Mild C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCC ZINC000169331392 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCC ZINC000169331393 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCC ZINC000169331395 KK Annotated Mild Cc1cc(C(=C2C=CC(=Nc3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)C=C2)c2ccc(Nc3ccc(S(=O)(=O)O)cc3)cc2)ccc1N ZINC000169331541 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CC(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331562 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CC(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331563 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CC(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331564 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CC(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331565 KK Annotated Mild CCCC(=O)NCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCNC(=O)CCC ZINC000169331566 KK Annotated Anodyne CC(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)CC[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCc1ccccc1 ZINC000169331578 KK Annotated Anodyne CC(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)CC[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCc1ccccc1 ZINC000169331580 KK Annotated Anodyne CC(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)CC[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCc1ccccc1 ZINC000169331581 KK Annotated Anodyne CC(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)CC[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCc1ccccc1 ZINC000169331583 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 ZINC000169331587 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 ZINC000169331588 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331589 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 ZINC000169331590 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331591 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=O)[C@H](C)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O)c1ccc(C)cc1 ZINC000169331592 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331594 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331596 KK Annotated Anodyne CCCC(=O)OCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCOC(=O)CCC ZINC000169331655 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)Sc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000169331658 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)Sc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000169331660 KK Annotated Anodyne CCOC(=O)CCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCCCCCCC(=O)OCC ZINC000169331678 KK Annotated Anodyne CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N3)O5)CC1 ZINC000169331745 KK Annotated Mild CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N3)O5)CC1 ZINC000169331747 KK Annotated Mild CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000169331749 KK Annotated Mild CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(\C)C(=O)N3)O5)CC1 ZINC000169331750 KK Annotated Mild O=C(O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3C[C@@H]4C[C@@H]3CN4S(=O)(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169331824 KK Annotated Anodyne O=C(O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3C[C@H]4C[C@@H]3CN4S(=O)(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000169331825 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331898 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331900 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331902 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169331904 KK Annotated Mild CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21 ZINC000169331967 KK Annotated Anodyne Cc1ccc(C)c(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1 ZINC000169331982 KK Annotated Clean O=C1Nc2ccc(Br)cc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169332000 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169332001 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169332002 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169332003 KK Annotated Anodyne c1ccc(CON=C2[C@@H]3[C@@H](c4ccccc4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1 ZINC000169332067 KK Annotated Mild c1ccc(CON=C2[C@H]3[C@@H](c4ccccc4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1 ZINC000169332070 KK Annotated Mild c1ccc(CON=C2[C@H]3[C@@H](c4ccccc4)N[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C[C@H]3c2ccccc2)cc1 ZINC000169332072 KK Annotated Mild c1ccc(CON=C2[C@@H]3[C@@H](c4ccccc4)N[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C[C@H]3c2ccccc2)cc1 ZINC000169332074 KK Annotated Mild CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169332112 KK Annotated Mild CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169332113 KK Annotated Mild CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169332115 KK Annotated Mild CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169332117 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169332130 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169332133 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169332134 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169332136 KK Annotated Mild C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/CCCCC ZINC000169332158 KK Annotated Mild C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/CCCCC ZINC000169332160 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/CCCCC ZINC000169332161 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/CCCCC ZINC000169332162 KK Annotated Mild N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)CCCCCCCCCCBr)[C@@H](COC(=O)CCCCCCCCCCBr)O[C@H]12 ZINC000169332169 KK Annotated Reactive CCCCCCCCCCC(=O)OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn32)[C@@H]1OC(=O)CCCCCCCCCC ZINC000169332246 KK Annotated Mild Fc1ccc([C@H]2N[C@H](c3ccc(F)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(F)cc2)C[C@H]3c2ccc(F)cc2)cc1 ZINC000169332293 KK Annotated Mild Fc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000169332296 KK Annotated Mild Fc1ccc([C@H]2C[C@H](c3ccc(F)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000169332297 KK Annotated Mild Clc1ccc([C@H]2N[C@H](c3ccc(Cl)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(Cl)cc2)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000169332299 KK Annotated Mild Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000169332301 KK Annotated Mild Clc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000169332302 KK Annotated Mild COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@@H](C)N(C)C)C/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169332333 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@@H](C)N(C)C)C/C=C/[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169332334 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@@H](C)N(C)C)C/C=C\[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169332335 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@@H](C)N(C)C)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169332337 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)OC(C)(C)C)CC[C@@](C)(/C=C1\SC(=O)N(Cc3ccccc3)C1=O)O2 ZINC000169332438 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)OC(C)(C)C)CC[C@](C)(/C=C1\SC(=O)N(Cc3ccccc3)C1=O)O2 ZINC000169332439 KK Annotated Anodyne COc1cc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c(C)cc1N ZINC000169332503 KK Annotated Clean Cc1ccc2c(c1)[C@@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000169332559 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000169332561 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccccc45)cc3)cc2N)cc1 ZINC000169332621 KK Annotated Anodyne CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccccc45)cc3)cc2N)cc1 ZINC000169332623 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccccc45)cc3N)cc2N)cc1 ZINC000169332627 KK Annotated Anodyne Nc1ccc2c(O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)c(/N=N/c7cc(O)ccc7O)c(N)c6c5O)cc4)cc3)c(S(=O)(=O)O)cc2c1 ZINC000169332630 KK Annotated Clean COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169332632 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(/C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169332633 KK Annotated Mild CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000169332694 KK Annotated Clean Nc1ccc(C(=O)Nc2ccc3c(O)c(/N=N/c4ccc(C(=O)Nc5ccc(/N=N/c6ccc7cc(S(=O)(=O)O)cc(S(=O)(=O)O)c7c6)c(O)c5)cc4)c(S(=O)(=O)O)cc3c2)cc1 ZINC000169332743 KK Annotated Clean CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169332764 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OP(=O)(O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169332766 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OC[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169333027 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OC[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169333030 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OC[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169333032 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OC[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000169333034 KK Annotated Mild CC[n+]1cccc2cc(NC(=O)CCc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CC)c4)cc3)ccc21 ZINC000169333040 KK Annotated Anodyne CCCC[n+]1cccc2cc(NC(=O)Cc3ccc(CC(=O)Nc4ccc5ccc[n+](CCCC)c5c4)cc3)ccc21 ZINC000169333043 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CSc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169333253 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CSc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169333254 KK Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)CCCCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333277 KK Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C(C)=C\CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333291 KK Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C(/C)CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333296 KK Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)c3ccccc3CCc3coc(/C=C\CNC(=O)OC)n3)C[C@H](CC(=O)O1)O2 ZINC000169333299 KK Annotated Anodyne CCC[C@H]1C[C@@H](OC)C/C(C)=C\[C@@H]2C[C@@H](OC(=O)/C=C\CCc3coc(C=C(C)C)n3)C[C@H](CC(=O)O1)O2 ZINC000169333302 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169333342 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169333345 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(I)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333347 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(I)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333349 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(I)cc2)nc2ccc(I)cc12 ZINC000169333366 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(I)cc2)nc2ccc(I)cc12 ZINC000169333368 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)cc(Cl)c4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169333389 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)cc(Cl)c4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169333391 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333406 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333408 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(OC)cc12 ZINC000169333409 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333410 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cc(OC)cc12 ZINC000169333411 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333412 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333413 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333414 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333415 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333416 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)cc(Cl)c4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333417 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)cc(Cl)c4)cc3)cc1)c1cc3[nH]ccc3cc1N2 ZINC000169333419 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc12 ZINC000169333469 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(C(F)(F)F)ccc12 ZINC000169333473 KK Annotated Anodyne O[C@@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333542 KK Annotated Anodyne O[C@H](CNC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169333544 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc12 ZINC000169333547 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)C/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333549 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C(F)(F)F)ccc12 ZINC000169333551 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333552 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)C/C=C\[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333555 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169333558 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(I)ccc12 ZINC000169333576 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(I)ccc12 ZINC000169333579 KK Annotated Anodyne C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169333768 KK Annotated Bother CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc12 ZINC000169333815 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(OC)cc12 ZINC000169333818 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 ZINC000169333823 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 ZINC000169333824 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(Cl)cc12 ZINC000169333829 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)c(Cl)cc12 ZINC000169333831 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 ZINC000169333839 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 ZINC000169333841 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333851 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169333854 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12 ZINC000169333856 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2cc(Cl)ccc12 ZINC000169333858 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1cc(Cl)c1ccccc12 ZINC000169333860 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2c1cc(Cl)c1ccccc12 ZINC000169333862 KK Annotated Bother CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2c(Cl)cc(OC)cc12 ZINC000169333899 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2c(Cl)cc(OC)cc12 ZINC000169333900 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cc(-c2ccc(CC)c(CC)c2)cc2ccc(C)cc12 ZINC000169333905 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cc(-c2ccc(CC)c(CC)c2)cc2ccc(C)cc12 ZINC000169333907 KK Annotated Mild CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 ZINC000169333930 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)c(OC)cc12 ZINC000169333932 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(C)c(-c2ccc(C)cc2C)nc2c1cc(Cl)c1ccccc12 ZINC000169333934 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1c(C)c(-c2ccc(C)cc2C)nc2c1cc(Cl)c1ccccc12 ZINC000169333937 KK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CC1 ZINC000169333984 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CCCC1 ZINC000169333986 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CCCCC1 ZINC000169333988 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CCCCCC1 ZINC000169333990 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)NC1CCCCCCC1 ZINC000169333992 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)N1CCCC1 ZINC000169333994 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334047 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2ccc(C(F)(F)F)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169334049 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334051 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334053 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334055 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334057 KK Annotated Anodyne O=C(c1ccc2c(c1)CCCC2)[C@H]1O[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccc3c(c2)CCCC3)O[C@H]1c1ccc(Br)cc1 ZINC000169334176 KK Annotated Anodyne O=C(c1ccc2c(c1)CCCC2)[C@H]1O[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccc3c(c2)CCCC3)O[C@@H]1c1ccc(Br)cc1 ZINC000169334178 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334282 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334284 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2Cl)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334286 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2Cl)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334288 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334290 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334291 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334293 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2cccc(Cl)c2)nc2c(C(F)(F)F)cc(Cl)cc12 ZINC000169334294 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccccc45)cc3N)cc2)cc1 ZINC000169334357 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCC(=O)C[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169334376 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)C[C@H]1O[C@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169334379 KK Annotated Mild CCCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169334397 KK Annotated Mild CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3)cc2N)cc1 ZINC000169334399 KK Annotated Anodyne C/C=C\c1nc(CC/C=C\C(=O)O[C@@H]2C[C@H]3/C=C(/C)C[C@H](OC)C[C@H](CCC)OC(=O)C[C@@H](C2)O3)co1 ZINC000169334402 KK Annotated Anodyne C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(I)cc1 ZINC000169334464 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(C(F)(F)F)cccc12 ZINC000169334576 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(C(F)(F)F)cccc12 ZINC000169334578 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169334580 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169334582 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334584 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334586 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334588 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=Nc2c(Cl)cc(Cl)cc21 ZINC000169334589 KK Annotated Anodyne CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CN(CCN/C(=N/C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)/C(=N/C(=O)OCc2ccccc2)NC(=O)OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12 ZINC000169334604 KK Annotated Mild CCOCCN(CCOCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 ZINC000169334623 KK Annotated Anodyne CCOCCN(CCOCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 ZINC000169334624 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12 ZINC000169334633 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(OC)c(Cl)cc12 ZINC000169334634 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc12 ZINC000169334751 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(OC)c(Cl)cc12 ZINC000169334753 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H](CC2=CCCCC2)C=CC1=O ZINC000169334864 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](CC(C)C)NC2=O)cc1Cl ZINC000169334872 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(\C)[C@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000169334921 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(Oc2cccc(C(C)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334940 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Oc2cccc(C(C)(F)F)c2)nc2c(Cl)cc(Cl)cc12 ZINC000169334943 KK Annotated Anodyne CC[C@H](CNC(=O)NCCCCNC(=O)NC[C@H](CC)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334957 KK Annotated Anodyne CC[C@H](CNC(=O)NCCCCNC(=O)NC[C@@H](CC)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334959 KK Annotated Anodyne CC[C@@H](CNC(=O)NCCCCNC(=O)NC[C@H](CC)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334960 KK Annotated Anodyne C[C@H](NC(=O)NCCCCCCCCNC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334963 KK Annotated Anodyne C[C@H](NC(=O)NCCCCCCCCNC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334964 KK Annotated Anodyne C[C@@H](NC(=O)NCCCCCCCCNC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 ZINC000169334965 KK Annotated Anodyne Cn1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc21 ZINC000169334982 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000169335063 KK Annotated Anodyne CC(=O)OC/C1=C/[C@H](OC(C)=O)[C@]2(C)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000169335094 KK Annotated Anodyne CC(=O)OC/C1=C/[C@H](OC(C)=O)[C@]2(C)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000169335097 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCN(C)CC1)C(=O)N1CCCCC1 ZINC000169335104 KK Annotated Anodyne COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cn2)c(OC)c1 ZINC000169335160 KK Annotated Anodyne COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cn2)c(OC)c1 ZINC000169335161 KK Annotated Anodyne CCN(CC)CCOc1ccc(/C=C/C(=O)c2ccc3c(c2OCCN(CC)CC)C=CC(C)(C)O3)cc1 ZINC000169335174 KK Annotated Mild CC(C)CCN(CCCOC(=O)c1ccc2oc3ccc(C(=O)OCCCN(CCC(C)C)CCC(C)C)cc3c2c1)CCC(C)C ZINC000169335304 KK Annotated Anodyne CCCC(CCC)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335320 KK Annotated Anodyne CCCC(CCC)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335321 KK Annotated Anodyne N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)CCCCCCCCCCNC(=O)c3ccccc3)[C@@H](COC(=O)CCCCCCCCCCNC(=O)c3ccccc3)O[C@H]12 ZINC000169335381 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NCCCCCCCCCCC(=O)OC[C@H]2O[C@@H]3[C@H](Oc4nc(=N)ccn43)[C@@H]2OC(=O)CCCCCCCCCCNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000169335386 KK Annotated Anodyne N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)CCCCCCCCCCN3C(=O)c4ccccc4C3=O)[C@@H](COC(=O)CCCCCCCCCCN3C(=O)c4ccccc4C3=O)O[C@H]12 ZINC000169335395 KK Annotated Anodyne C/C1=C(\CCOC(=O)[C@@H](N)CCCCN)SS/C(CCOC(=O)[C@@H](N)CCCCN)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000169335468 KK Annotated Reactive C/C1=C(/CCOC(=O)[C@@H](N)CCCCN)SS/C(CCOC(=O)[C@@H](N)CCCCN)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000169335470 KK Annotated Reactive CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)[C@](O)(CC)[C@]1(C)O ZINC000169335565 KK Annotated Bother Cc1c(Cl)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169335640 KK Annotated Anodyne Cc1c(Cl)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169335643 KK Annotated Anodyne CCCC(CCC)N(C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1)C(CCC)CCC ZINC000169335646 KK Annotated Anodyne CCCC(CCC)N(C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1)C(CCC)CCC ZINC000169335649 KK Annotated Anodyne O=C(COCCOCC(=O)N1c2ccccc2C=Cc2ccccc21)N1c2ccccc2C=Cc2ccccc21 ZINC000169335658 KK Annotated Anodyne CCCCCN(CCCCC)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335663 KK Annotated Anodyne CCCCCN(CCCCC)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335664 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335700 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335701 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335780 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335781 KK Annotated Anodyne CCCC[N+]([O-])(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335789 KK Annotated Bother CCCC[N+]([O-])(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000169335791 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000169335807 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1 ZINC000169335809 KK Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CN4C(=O)/C(=N\c5ncc(Cc6cc(OC)c(OC)c(OC)c6)c(N)n5)c5cc(Br)ccc54)[C@@H](C)C3)c(C(F)(F)F)c21 ZINC000169335888 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335987 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000169335989 KK Annotated Anodyne CCCC(CCC)NC[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000169335992 KK Annotated Anodyne CCCC(CCC)NC[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000169335993 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(/C=C/c2ccc(Cl)cc2)c1 ZINC000169335995 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(/C=C/c2ccc(Cl)cc2)c1 ZINC000169335996 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000169335999 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(C(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000169336000 KK Annotated Anodyne CC(C)CCCN(CCC(C)C)C[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336021 KK Annotated Anodyne CC(C)CCCN(CCC(C)C)C[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 ZINC000169336022 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C)sc12 ZINC000169336027 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C)sc12 ZINC000169336028 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)sc12 ZINC000169336036 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)sc12 ZINC000169336037 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2ccsc12 ZINC000169336045 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2ccsc12 ZINC000169336047 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2sccc12 ZINC000169336057 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2sccc12 ZINC000169336060 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1ccc(Cl)c2cc3cccc(Cl)c3cc12 ZINC000169336082 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1ccc(Cl)c2cc3cccc(Cl)c3cc12 ZINC000169336083 KK Annotated Mild Cc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169336091 KK Annotated Anodyne Cc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169336094 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1c2cccc(Cl)c2cc2c(Cl)cccc12 ZINC000169336096 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1c2cccc(Cl)c2cc2c(Cl)cccc12 ZINC000169336098 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccc(OC)cc12 ZINC000169336115 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2ccc(OC)cc12 ZINC000169336119 KK Annotated Mild Cc1cc(=O)oc2c3c(cc(OCc4ccccc4)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169336137 KK Annotated Anodyne Cc1cc(=O)oc2c3c(cc(OCc4ccccc4)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169336139 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)c(OC)cc12 ZINC000169336145 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)cc2cc(Cl)c(OC)cc12 ZINC000169336148 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)c(OC)cc12 ZINC000169336152 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)c(OC)cc12 ZINC000169336154 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000169336204 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336205 KK Annotated Mild C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000169336208 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336209 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000169336211 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336212 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336215 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@@H](C(=O)OC)[C@H](O)[C@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336217 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)OC)[C@H](O)[C@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336219 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@@H](C(=O)OC)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336221 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)OC)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169336225 KK Annotated Mild Cc1cc2c(c3oc(=O)cc(C(C)C)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169336244 KK Annotated Anodyne Cc1cc2c(c3oc(=O)cc(C(C)C)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169336246 KK Annotated Anodyne O=C1OC[C@H](c2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\CC[C@H]1Cc1ccc(F)cc1 ZINC000169336289 KK Annotated Anodyne Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169336315 KK Annotated Reactive Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169336318 KK Annotated Reactive O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169336394 KK Annotated Reactive O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000169336401 KK Annotated Reactive CCCc1cc(=O)oc2cc(OC3CCN(C(=O)NCc4ccccc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169336478 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000169336573 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000169336575 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000169336578 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000169336580 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@](C)(CCOC(=O)c2cccc(N=[N+]=[N-])c2)[C@@H](O)CC(=O)O1 ZINC000169336635 KK Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(\C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000169336676 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C\C[C@H](C)/C=C(/C)CCCCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169336679 KK Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(/C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000169336680 KK Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C(\C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000169336683 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C\C[C@H](C)/C=C(\C)CCCCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169336684 KK Annotated Mild C=CC[C@H]1C=C[C@@H](O/N=C(/C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000169336687 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)/C=C(/C)CCCCC(=O)[C@]23C(=O)N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C ZINC000169336688 KK Annotated Mild C[C@H]1/C=C\CC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)/C=C\CC(=O)N[C@H]1c1cccc(Br)c1 ZINC000169336712 KK Annotated Anodyne C[C@H]1/C=C\CC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)/C=C/CC(=O)N[C@H]1c1cccc(Br)c1 ZINC000169336713 KK Annotated Anodyne C[C@H]1/C=C/CC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)/C=C\CC(=O)N[C@H]1c1cccc(Br)c1 ZINC000169336715 KK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(c1ccccc1)CCC2=O ZINC000169336867 KK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(c1ccccc1)CCC2=O ZINC000169336870 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 ZINC000169336881 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccsc12 ZINC000169336883 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(Oc2cc(Cl)cc(Cl)c2)cc2c(Cl)cc(Cl)cc12 ZINC000169336895 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Oc2cc(Cl)cc(Cl)c2)cc2c(Cl)cc(Cl)cc12 ZINC000169336896 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2ncccc12 ZINC000169336902 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2ncccc12 ZINC000169336904 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000169336906 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(Cl)cc2)nc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000169336908 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)sc12 ZINC000169336918 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(Cl)sc12 ZINC000169336919 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2sccc12 ZINC000169336957 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2sccc12 ZINC000169336959 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2sccc12 ZINC000169336962 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Br)cc2c2sccc12 ZINC000169336964 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccsc2c2cc(C(F)(F)F)ccc12 ZINC000169336966 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccsc2c2cc(C(F)(F)F)ccc12 ZINC000169336968 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccsc2c2cc(Br)ccc12 ZINC000169336969 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccsc2c2cc(Br)ccc12 ZINC000169336970 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)ccc12 ZINC000169336998 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)ccc12 ZINC000169336999 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)c(OC)cc12 ZINC000169337002 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)cc2cc(Cl)c(OC)cc12 ZINC000169337003 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc(Oc2ccc(Cl)cc2)c(Br)c2cc(Cl)ccc12 ZINC000169337005 KK Annotated Anodyne CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5c4CCC[C@@H]5CCCN4CCN(C5CCCCC5)CC4)c4ccccc4C3(C)C)c(=O)oc2c1 ZINC000169337006 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Oc2ccc(Cl)cc2)c(Br)c2cc(Cl)ccc12 ZINC000169337007 KK Annotated Anodyne CCN(CC)c1ccc2cc(/C=C/C3=[N+](CCCCCC(=O)NCCCCCCOc4cccc5c4CCC[C@H]5CCCN4CCN(C5CCCCC5)CC4)c4ccccc4C3(C)C)c(=O)oc2c1 ZINC000169337008 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(Oc2cccc(C(F)(F)F)c2)cc2c(Cl)cc(Cl)cc12 ZINC000169337013 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(Oc2cccc(C(F)(F)F)c2)cc2c(Cl)cc(Cl)cc12 ZINC000169337014 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(C(=O)c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169337020 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(C(=O)c2ccc(Cl)cc2)cc2c(Cl)cc(Cl)cc12 ZINC000169337022 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1ccc1ccc(C(F)(F)F)cc12 ZINC000169337035 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1ccc1ccc(C(F)(F)F)cc12 ZINC000169337037 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1ccc2ccc3cccc(C(F)(F)F)c3c2c1 ZINC000169337062 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1ccc2ccc3cccc(C(F)(F)F)c3c2c1 ZINC000169337063 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000169337077 KK Annotated Mild COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2N)cc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169337158 KK Annotated Anodyne COc1ccc(/C=C/C(=O)Nc2ccc(C)cc2N)cc1OCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000169337161 KK Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(c4ccc(C(F)(F)F)cn4)CC2)O3)CC1 ZINC000169337170 KK Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(c4ccc(C(F)(F)F)cn4)CC2)O3)CC1 ZINC000169337171 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(Cl)cc2ccc(-c3ccc(Cl)cc3)nc12 ZINC000169337322 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(Cl)cc2ccc(-c3ccc(Cl)cc3)nc12 ZINC000169337324 KK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccc(-c4ncc(-c5cccc(O)c5)o4)c3)c2O)O1 ZINC000169337370 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccc(-c4ncc(-c5cccc(O)c5)o4)c3)c2O)O1 ZINC000169337372 KK Annotated Mild O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337378 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337379 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337380 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337381 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337382 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337383 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)cc(Cl)c4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337384 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)cc(Cl)c4)cc3)cc1)c1c(ccc3cn[nH]c13)N2 ZINC000169337385 KK Annotated Anodyne COc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(/N=N/c5c(N)ccc6cc(S(=O)(=O)O)ccc56)c(S(=O)(=O)O)cc4c3)ccc2c1O ZINC000169337425 KK Annotated Clean C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000169337476 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H](C)N1CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000169337477 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1CCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 ZINC000169337478 KK Annotated Anodyne Nc1c(F)c(N2CCN(CCOc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3)CC2)cc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1 ZINC000169337479 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000169337646 KK Annotated Anodyne Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccccc6)c(O)c5c4N)cc3)cc2)ccc2c(S(=O)(=O)O)cccc12 ZINC000169337681 KK Annotated Clean CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)c(Br)cc2c2cc(Br)ccc12 ZINC000169337779 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)c(Br)cc2c2cc(Br)ccc12 ZINC000169337781 KK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1c(OC)c2cc(Br)ccc2c2ccc(Br)cc12 ZINC000169337798 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1c(OC)c2cc(Br)ccc2c2ccc(Br)cc12 ZINC000169337800 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337805 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337806 KK Annotated Mild C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169337825 KK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337845 KK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337846 KK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337847 KK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2c(Cl)c(Cl)c(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337848 KK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc12 ZINC000169337859 KK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc12 ZINC000169337861 KK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc12 ZINC000169337863 KK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(Cl)c(Cl)cc12 ZINC000169337864 KK Annotated Bother O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169337871 KK Annotated Mild O[C@H](C[C@@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169337874 KK Annotated Mild O[C@@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169337876 KK Annotated Mild O[C@H](C[C@H]1CCCCN1)c1cc2cc(C(F)(F)F)cc(C(F)(F)F)c2c2cc(C(F)(F)F)ccc12 ZINC000169337880 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)c(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337935 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)c(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169337936 KK Annotated Bother CCCN(CCC)C[C@@H](O)c1cc2cc(Br)cc(Br)c2c2cc(C(F)(F)F)ccc12 ZINC000169337955 KK Annotated Bother CCCN(CCC)C[C@H](O)c1cc2cc(Br)cc(Br)c2c2cc(C(F)(F)F)ccc12 ZINC000169337959 KK Annotated Bother CCCCCN(CCCCC)C[C@@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337966 KK Annotated Bother CCCCCN(CCCCC)C[C@H](O)c1cc2ccc(Cl)c(Cl)c2c2cc(C(F)(F)F)ccc12 ZINC000169337967 KK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)cc(Br)c2c2ccccc12 ZINC000169337993 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)cc(Br)c2c2ccccc12 ZINC000169337995 KK Annotated Bother O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)C[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169338019 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)C[C@@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169338020 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@@H](O)C[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169338021 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1cc([C@H](O)C[C@H]2CCCCN2)c2cccc(C(F)(F)F)c2n1 ZINC000169338022 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2ccc3c4ccccc4cc(Br)c3c12 ZINC000169338036 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2ccc3c4ccccc4cc(Br)c3c12 ZINC000169338038 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccncc2c2cc(Br)ccc12 ZINC000169338042 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccncc2c2cc(Br)ccc12 ZINC000169338045 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 ZINC000169338122 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccc(OC)cc12 ZINC000169338124 KK Annotated Mild CCCCCCCCCN(CCCCCCCCC)CC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338188 KK Annotated Mild CCCCCCCCCN(CCCCCCCCC)CC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338194 KK Annotated Mild O[C@@H](CN1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169338202 KK Annotated Anodyne O[C@H](CN1C=CN(c2ccccc2)C=C1)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cc12 ZINC000169338205 KK Annotated Anodyne O=P(O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)(O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 ZINC000169338212 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169338239 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1 ZINC000169338240 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2ccc(C)nc12 ZINC000169338253 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2ccc(C)nc12 ZINC000169338254 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@@H](CCC[C@@H]3O[C@@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000169338383 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@H]2C=CC[C@@H](CCC[C@@H]3O[C@@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000169338387 KK Annotated Mild O[C@@H](C[C@@H]1CCCCN1)c1cc2c(Br)cc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338411 KK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2c(Br)cc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338413 KK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2c(Br)cc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338414 KK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2c(Br)cc(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338416 KK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2c(Br)cc(Br)cc2c2cc(Br)ccc12 ZINC000169338421 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2c(Br)cc(Br)cc2c2cc(Br)ccc12 ZINC000169338423 KK Annotated Bother CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169338455 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(Br)ccc12 ZINC000169338457 KK Annotated Bother COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169338519 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338566 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338568 KK Annotated Mild CC[C@@H](C[C@@H](C)C(=O)O)C(=O)CC/C1=C\[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](CCCC/C=C/[C@@H](C)CC[C@@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](C(=O)O)CC(=O)OC1 ZINC000169338588 KK Annotated Anodyne CC[C@@H](C[C@@H](C)C(=O)O)C(=O)CC/C1=C/[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](CCCC/C=C/[C@@H](C)CC[C@@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](C(=O)O)CC(=O)OC1 ZINC000169338592 KK Annotated Anodyne CC[C@@H](C[C@@H](C)C(=O)O)C(=O)CC/C1=C\[C@@H](C)C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](CCCC/C=C/[C@@H](C)CC[C@@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](C(=O)O)CC(=O)OC1 ZINC000169338596 KK Annotated Anodyne CC[C@@H](C[C@@H](C)C(=O)O)C(=O)CC/C1=C/[C@@H](C)C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](CCCC/C=C/[C@@H](C)CC[C@@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](C(=O)O)CC(=O)OC1 ZINC000169338598 KK Annotated Anodyne CC(=O)N1CCCC[C@@H]1C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169338628 KK Annotated Anodyne CC(=O)N1CCCC[C@H]1C[C@@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169338631 KK Annotated Anodyne CC(=O)N1CCCC[C@@H]1C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169338635 KK Annotated Anodyne CC(=O)N1CCCC[C@H]1C[C@H](O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2c(Cl)cc(Cl)cc12 ZINC000169338638 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)C[C@@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 ZINC000169338642 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C[C@H](O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cc12 ZINC000169338645 KK Annotated Mild O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169338720 KK Annotated Anodyne C/C=C(\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338847 KK Annotated Anodyne C/C=C(\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338851 KK Annotated Anodyne C/C=C(\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338853 KK Annotated Anodyne C/C=C(\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169338854 KK Annotated Anodyne CCCCCN(CCCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169338954 KK Annotated Bother CCCCCN(CCCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169338955 KK Annotated Bother CCCCCCCN(CCCCCCC)CCC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338966 KK Annotated Mild CCCCCCCN(CCCCCCC)CCC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338967 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2ccc(I)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338972 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(I)cc2c2cc(C(F)(F)F)ccc12 ZINC000169338973 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169338993 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2cc(Cl)ccc2c2cc(C(F)(F)F)ccc12 ZINC000169338995 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339006 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339007 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339018 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339021 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N/O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000169339036 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169339039 KK Annotated Anodyne C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169339065 KK Annotated Bother COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169339087 KK Annotated Reactive CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(COC(=O)C(C)C)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000169339092 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(COC(=O)C(C)C)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000169339093 KK Annotated Anodyne CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169339186 KK Annotated Anodyne CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169339188 KK Annotated Anodyne CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169339189 KK Annotated Anodyne CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4/CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000169339190 KK Annotated Anodyne O[C@@H](C[C@@H]1CCCCN1)c1cc2cc(Br)c(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339305 KK Annotated Bother O[C@H](C[C@@H]1CCCCN1)c1cc2cc(Br)c(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339307 KK Annotated Bother O[C@@H](C[C@H]1CCCCN1)c1cc2cc(Br)c(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339310 KK Annotated Bother O[C@H](C[C@H]1CCCCN1)c1cc2cc(Br)c(Br)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339312 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccccc2c2cc(C(F)(F)F)ccc12 ZINC000169339314 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccccc2c2cc(C(F)(F)F)ccc12 ZINC000169339316 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(I)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339318 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(I)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339320 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339340 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339343 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000169339346 KK Annotated Anodyne CCCCCCN(CCCCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339359 KK Annotated Bother CCCCCCN(CCCCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339362 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339381 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(Br)cc2c2cc(Br)ccc12 ZINC000169339383 KK Annotated Mild CCCCCCC[N+]([O-])(CCCCCCC)C[C@@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000169339390 KK Annotated Mild CCCCCCC[N+]([O-])(CCCCCCC)C[C@H](O)c1cc2ccccc2c2cc(Br)ccc12 ZINC000169339393 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Br)cccc2c2cc(C(F)(F)F)ccc12 ZINC000169339405 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Br)cccc2c2cc(C(F)(F)F)ccc12 ZINC000169339406 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1c(Br)c2ccccc2c2cc(Br)ccc12 ZINC000169339408 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1c(Br)c2ccccc2c2cc(Br)ccc12 ZINC000169339410 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2c(Br)cccc2c2cc(Br)ccc12 ZINC000169339427 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2c(Br)cccc2c2cc(Br)ccc12 ZINC000169339428 KK Annotated Mild CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5cc(Cl)cc(Cl)c5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169339477 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5cc(Cl)cc(Cl)c5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169339480 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1c(Br)c2ccccc2c2cc(Br)ccc12 ZINC000169339482 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1c(Br)c2ccccc2c2cc(Br)ccc12 ZINC000169339483 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccccc12 ZINC000169339510 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(CN4CCN(C(=O)OC(C)(C)C)CC4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169339511 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2ccccc12 ZINC000169339512 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2cc(Br)ccc2c2cc(S(C)(=O)=O)ccc12 ZINC000169339561 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2cc(Br)ccc2c2cc(S(C)(=O)=O)ccc12 ZINC000169339563 KK Annotated Bother CCCCCCCN(CCCCCCC)C[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 ZINC000169339575 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(Cl)ccc12 ZINC000169339580 KK Annotated Mild CCCCN(CCCC)C[C@@H](O)c1cc2c(Br)cccc2c2cc(Br)ccc12 ZINC000169339584 KK Annotated Bother CCCCN(CCCC)C[C@H](O)c1cc2c(Br)cccc2c2cc(Br)ccc12 ZINC000169339586 KK Annotated Bother CCCCCCCN(CCCCCCC)CC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339619 KK Annotated Mild CCCCCCCN(CCCCCCC)CC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12 ZINC000169339621 KK Annotated Mild CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5cc(OC)c(OC)c(OC)c5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169339625 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5cc(OC)c(OC)c(OC)c5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169339629 KK Annotated Anodyne [O-]/[N+](=C\c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1)c1ccccc1 ZINC000169339632 KK Annotated Mild [O-]/[N+](=C\c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1)Cc1ccccc1 ZINC000169339646 KK Annotated Mild [O-]/[N+](=C\c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1)Cc1ccccc1 ZINC000169339648 KK Annotated Mild CC(C)(C)/[N+]([O-])=C/c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000169339661 KK Annotated Mild CC(C)(C)/[N+]([O-])=C/c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000169339665 KK Annotated Mild COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339705 KK Annotated Anodyne COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)NC(=O)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339708 KK Annotated Anodyne COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339730 KK Annotated Anodyne COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)NC(=S)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339732 KK Annotated Anodyne CCCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000169339733 KK Annotated Anodyne CCCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccccc2)cc1 ZINC000169339735 KK Annotated Anodyne CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)NC(=S)NC4CCCCC4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000169339742 KK Annotated Anodyne CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)NC(=S)NC4CCCCC4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000169339744 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000169339775 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@H]12 ZINC000169339777 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000169339778 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@H]2[C@@H]1OCc1ccccc1 ZINC000169339781 KK Annotated Anodyne O=S(=O)(Nc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12)c1ccc(-c2ccnc(C(F)(F)F)c2)cc1 ZINC000169340095 KK Annotated Anodyne CC(C)C[C@H](C)C[C@H](C)C[C@H](C)COC(=O)c1ccccc1C(=O)OC[C@H](C)C[C@H](C)C[C@H](C)CC(C)C ZINC000169340121 KK Annotated Anodyne CC(C)C[C@H](C)C[C@H](C)C[C@H](C)COC(=O)c1ccccc1C(=O)OC[C@H](C)C[C@H](C)C[C@@H](C)CC(C)C ZINC000169340123 KK Annotated Anodyne CC(C)C[C@H](C)C[C@H](C)C[C@H](C)COC(=O)c1ccccc1C(=O)OC[C@H](C)C[C@@H](C)C[C@H](C)CC(C)C ZINC000169340125 KK Annotated Anodyne CC(C)C[C@H](C)C[C@H](C)C[C@H](C)COC(=O)c1ccccc1C(=O)OC[C@H](C)C[C@@H](C)C[C@@H](C)CC(C)C ZINC000169340127 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nccn2n1 ZINC000169340177 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCNCC3)cc2)c2ncn(C)c2n1 ZINC000169340187 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccc(O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169340328 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169340395 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169340397 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169340400 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169340405 KK Annotated Mild O=C1NC[C@@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169340491 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C/C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000169340508 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169340518 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169340576 KK Annotated Anodyne COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000169340587 KK Annotated Reactive COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000169340589 KK Annotated Reactive Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccccn2)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000169340935 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2cc3sccc3n2Cc2ccc(Cl)c(F)c2)cc1OCC ZINC000169340956 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccs3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000169341025 KK Annotated Anodyne N/C(=N\N=C1\C=C(Nc2cccc(Cl)c2)C(Nc2cccc(Cl)c2)=NC1=O)SCc1ccccc1 ZINC000169341103 KK Annotated Mild N/C(=N\N=C1\C=C(Nc2ccc(Cl)cc2)C(Nc2ccc(Cl)cc2)=NC1=O)SCc1ccccc1 ZINC000169341106 KK Annotated Mild CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000169341128 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c2ncn(C)c2n1 ZINC000169341143 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)OCCN(C)C)cc2)c2ncn(C)c2n1 ZINC000169341144 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N(C)C)cc2)c2ncn(C)c2n1 ZINC000169341145 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)NCCN(C)C)cc2)c2ncn(C)c2n1 ZINC000169341146 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)NCCO)cc2)c2ncn(C)c2n1 ZINC000169341148 KK Annotated Anodyne CCCn1cnc2c(Nc3ccc(C(=O)N4CCOCC4)cc3)nc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3C)nc21 ZINC000169341155 KK Annotated Anodyne Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ncn(CCc3ccccc3)c2n1 ZINC000169341158 KK Annotated Anodyne Cc1c(NC(=O)C2CCC(C(C)(C)C)CC2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nc[nH]c2n1 ZINC000169341172 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nc[nH]c2n1 ZINC000169341186 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)CSc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000169341205 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CSc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000169341206 KK Annotated Anodyne CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](CC)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@@H]1OC ZINC000169341261 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169341387 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cnccc2C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 ZINC000169341486 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2Cl)c1C(=O)c1ccc(Br)cc1 ZINC000169341562 KK Annotated Anodyne CCOC(=O)c1cnccc1Nc1nc(-c2nn(Cc3ccccc3F)c3c2CCC3)ncc1Oc1ccccc1C(=O)OCC ZINC000169341686 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(Br)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1 ZINC000169341697 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(-c2cccc(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)c2)nc1N ZINC000169341715 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OCC)c(OS(=O)(=O)O)cc4c3C(=O)OCC)cc12 ZINC000169341858 KK Annotated Anodyne O=C(NCCc1ccc(OCC(F)(F)F)c(OCC(F)(F)F)c1)c1cc2sccc2n1Cc1ccccc1 ZINC000169341921 KK Annotated Anodyne CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCN(Cc4ccc(F)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342053 KK Annotated Anodyne CCCc1cc(=O)oc2c(C(=O)CC)c(N3CCN(c4ccc(OC)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342054 KK Annotated Clean CCCc1cc(=O)oc2cc(OC3CCN(C(=O)Nc4ccc(F)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342062 KK Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342083 KK Annotated Anodyne C[C@@H]1CC2=CCC[C@@H]2[C@@]2(O1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000169342100 KK Annotated Anodyne C[C@H]1CC2=CCC[C@@H]2[C@@]2(O1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000169342103 KK Annotated Anodyne C[C@@H]1CC2=CCC[C@H]2[C@@]2(O1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000169342104 KK Annotated Anodyne C[C@H]1CC2=CCC[C@H]2[C@@]2(O1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000169342107 KK Annotated Anodyne O=c1nc(Cl)cc2n([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)ccn12 ZINC000169342164 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)CNC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\CC[C@H]1Cc1ccc(F)cc1 ZINC000169342218 KK Annotated Anodyne O=C(N[C@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169342277 KK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@@H]2C1 ZINC000169342425 KK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@@H]2C1 ZINC000169342426 KK Annotated Mild COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](n1ccc(-c3c(F)ccc(Cl)c3F)cc1=O)c1cc-2ccn1 ZINC000169342454 KK Annotated Anodyne Cc1cccc(CN/C(CCCCc2ccc(OCc3ccc(Cl)cc3)cc2)=C2\C(=O)O[C@@H](CO)C2=O)c1 ZINC000169342504 KK Annotated Mild Cc1cccc(CN/C(CCCCc2ccc(OCc3ccc(Cl)cc3)cc2)=C2\C(=O)O[C@H](CO)C2=O)c1 ZINC000169342505 KK Annotated Mild c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000169342512 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 ZINC000169342515 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C(\C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169342560 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C(/C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169342562 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C(\C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169342564 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C(/C)CCC(=O)OC[C@@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169342566 KK Annotated Mild CCCc1cc(=O)oc2cc(N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342942 KK Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)Nc4ccc(C(C)C)cc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342944 KK Annotated Anodyne CCCc1cc(=O)oc2cc(N3CCN(C(=O)Nc4ccccc4Oc4ccccc4)CC3)c3c(c12)OC(C)(C)C=C3 ZINC000169342945 KK Annotated Anodyne C[C@@H]1[C@@H]2O[C@]3(C)C[C@@]4(C[C@@H]13)C(c1ccccc1)=CC(=O)[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]24 ZINC000169343017 KK Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@@]4(C[C@H]13)C(c1ccccc1)=CC(=O)[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]24 ZINC000169343020 KK Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@]4(C[C@@H]13)C(c1ccccc1)=CC(=O)[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]24 ZINC000169343022 KK Annotated Mild C=C1CCC[C@@H]2N(S(=O)(=O)c3ccc(Cl)cc3)c3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169343023 KK Annotated Mild C[C@@H]1[C@@H]2O[C@]3(C)C[C@]4(C[C@H]13)C(c1ccccc1)=CC(=O)[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)[C@@H]24 ZINC000169343024 KK Annotated Mild C=C1CCC[C@@H]2N(C(=O)c3ccc(Cl)cc3)c3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000169343026 KK Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCN(S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000169343028 KK Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCN(C(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000169343029 KK Annotated Mild CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)CC/C=C(/COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000169343086 KK Annotated Anodyne N[C@@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343090 KK Annotated Anodyne N[C@@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000169343093 KK Annotated Anodyne CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@@H](C)[C@]13CC ZINC000169343169 KK Annotated Bother Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(/N=N/c5ccc([N+](=O)[O-])cc5)c(N)c4c3O)cc2)cc1 ZINC000169343232 KK Annotated Clean CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN(C)C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169343284 KK Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169343313 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OC[C@@H](O)COCc2ccco2)cc1 ZINC000169343323 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OC[C@@H](O)COCc2ccco2)cc1 ZINC000169343325 KK Annotated Mild CCOC(=O)C1=C(O)C[C@@H](c2ccccc2)N([C@@H](O)[C@@H](C)Oc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169343343 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)[C@@H](C)Oc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000169343345 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169343538 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169343540 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000169343541 KK Annotated Anodyne C[C@@H](N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169343637 KK Annotated Anodyne CC(C)c1ccc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cc1 ZINC000169343642 KK Annotated Anodyne Cc1cc(OCc2ccc(I)cc2)c2c(c1)C(=O)c1cccc(OCc3ccc(I)cc3)c1C2=O ZINC000169343715 KK Annotated Clean Cc1cc(OCc2ccccc2Br)c2c(c1)C(=O)c1cccc(OCc3ccccc3Br)c1C2=O ZINC000169343718 KK Annotated Clean CCOC(=O)c1csc([C@@H](NC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)C(C)C)n1 ZINC000169343778 KK Annotated Anodyne COc1ccc([C@@H](C)NC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)cc1 ZINC000169343779 KK Annotated Anodyne COc1ccc([C@H](C)NC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)cc1 ZINC000169343781 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@@H]1C[C@@H](c1ccc(-c3cncs3)cc1)C2 ZINC000169343788 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@H]2C[C@@H](c3ccc(-c4cncs4)cc3)C[C@@H]1Cc1[nH]ncc12 ZINC000169343790 KK Annotated Anodyne COc1ccc(NC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)c(OC)c1 ZINC000169343793 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000169343794 KK Annotated Anodyne COc1cc(NC(=O)c2csc([C@@H](NC(=O)c3csc([C@@H](NC(=O)OC(C)(C)C)C(C)C)n3)C(C)C)n2)cc(OC)c1OC ZINC000169343795 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000169343796 KK Annotated Anodyne CCOC(=O)c1csc([C@@H](NC(=O)c2csc([C@@H](NC(=O)c3ccc(OC)c(OC)c3)C(C)C)n2)C(C)C)n1 ZINC000169343797 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000169343798 KK Annotated Anodyne CCOC(=O)c1csc([C@@H](NC(=O)c2csc([C@@H](NC(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C)n2)C(C)C)n1 ZINC000169343799 KK Annotated Anodyne COc1cc(C(=O)N[C@H](c2nc(C(=O)NCc3ccc(-c4ccccc4)cc3)cs2)C(C)C)cc(OC)c1OC ZINC000169343815 KK Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)[C@H](N=[N+]=[N-])[C@@]1(C)[C@@H](CC[C@@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000169343823 KK Annotated Clean C[C@@]12CC[C@@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)[C@H](N=[N+]=[N-])[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000169343825 KK Annotated Clean CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343863 KK Annotated Anodyne CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCCC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343869 KK Annotated Anodyne CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCC3)cc2)nn(Cc2ccc(C(C)(C)C)cc2)c1=O ZINC000169343870 KK Annotated Anodyne COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H]2O[C@@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000169343875 KK Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/OC[C@@H]2O[C@@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000169343877 KK Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H]2O[C@@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000169343878 KK Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/OC[C@@H]2O[C@@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000169343880 KK Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@H](C)CC[C@@H](O)[C@@H]1C ZINC000169343884 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@H](C)CC[C@@H](O)[C@@H]1C ZINC000169343885 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@H](C)CC[C@@H](O)[C@@H]1C ZINC000169343887 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000169344004 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000169344006 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000169344007 KK Annotated Anodyne C=C(C)CN1CCO[C@@H](C[C@H]2O[C@H]3C[C@H]4O[C@@H](CC[C@@H]5O[C@@H](CC[C@@]67C[C@H]8O[C@H]9[C@@H](O6)[C@H]6O[C@H](CC[C@@H]6O[C@H]9[C@H]8O7)CC(=O)C[C@@H]3[C@H]2OC)CC5=C)C[C@@H](C)C4=C)C1 ZINC000169344148 KK Annotated Mild O=C1Nc2ccc(Cl)cc2[C@@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169344286 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12N[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169344288 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169344291 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000169344293 KK Annotated Anodyne C=CCN(CC=C)C[C@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C)OC ZINC000169344314 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1CCN(C(F)(F)F)CC1)OC)[C@@H]3OC ZINC000169344339 KK Annotated Mild COc1ccccc1[C@H](C)C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C=CCOC[C@]3([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12 ZINC000169344368 KK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(I)cc(I)c2O[C@@H]1c1ccc(Cl)cc1 ZINC000169344413 KK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(I)cc(I)c2O[C@@H]1c1ccc(Cl)cc1 ZINC000169344414 KK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(I)cc(I)c2O[C@H]1c1ccc(Cl)cc1 ZINC000169344416 KK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(I)cc(I)c2O[C@H]1c1ccc(Cl)cc1 ZINC000169344418 KK Annotated Anodyne C[C@@H](N1CCc2sc(-c3ccc(C(F)(F)F)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344443 KK Annotated Anodyne C[C@@H](N1CCc2sc(-c3ccc(Cl)cc3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344446 KK Annotated Anodyne C[C@@H](N1CCc2sc(-c3cccc(Cl)c3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344457 KK Annotated Anodyne C[C@@H](N1CCc2sc(-c3cccc(C(F)(F)F)c3)cc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000169344458 KK Annotated Anodyne C=C(C[C@@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2([C@@H](C)OC(C)=O)COCC=C[C@H]12)c1ccccc1OC ZINC000169344488 KK Annotated Mild COc1cc(/C=C/[C@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169344623 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)/C=C(O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@]4(C)[C@H]5CC[C@H]6[C@@](C)(CC[C@H]7C(C)(C)[C@@H](OC)CC[C@]67C)CC5=CC[C@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169344625 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN=[N+]=[N-])OC)[C@@H]3OC ZINC000169344746 KK Annotated Mild CCC[C@@H]1OC(=O)CCCCCCCCCCCCCC/C=C(/C)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000169344853 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CCN1CCC(C(F)(F)F)CC1)[C@@H]3OC ZINC000169344912 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CCC#N)[C@@H]3OC ZINC000169344921 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000169344956 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000169344957 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000169344958 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(CCc4ccccc4C(F)(F)F)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169344976 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(CCc4ccccc4C(F)(F)F)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169344978 KK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)cc(Br)c2O[C@@H]1c1ccc(Cl)cc1 ZINC000169345002 KK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)cc(Br)c2O[C@@H]1c1ccc(Cl)cc1 ZINC000169345003 KK Annotated Anodyne CCN(CC)C(=S)S[C@@H]1C(=O)c2cc(Br)cc(Br)c2O[C@H]1c1ccc(Cl)cc1 ZINC000169345004 KK Annotated Anodyne CCN(CC)C(=S)S[C@H]1C(=O)c2cc(Br)cc(Br)c2O[C@H]1c1ccc(Cl)cc1 ZINC000169345005 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(CC(C)(C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169345020 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@H]3[C@@](O)(CC(C)(C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169345021 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2([C@@H](C)OC(C)=O)COCC=C[C@H]2[C@]2(C)CC[C@H]3[C@@](O)(CC(C)(C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)[C@H]12 ZINC000169345024 KK Annotated Anodyne COc1c(OS(=O)(=O)C(F)(F)F)cc2oc3cc(OS(=O)(=O)C(F)(F)F)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000169345085 KK Annotated Unstable C=CCOc1cc2oc3cc(OCC=C)c(OC)c(CC=C(C)C)c3c(=O)c2c(OC)c1CC=C(C)C ZINC000169345087 KK Annotated Mild CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)cc2F)ccn1 ZINC000169345168 KK Annotated Reactive CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)cc2F)ccn1 ZINC000169345177 KK Annotated Reactive C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](COCC)OCC)[C@@H]3OC ZINC000169345189 KK Annotated Mild C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC[C@](C)(COC(=O)CCC(=O)OCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C2 ZINC000169345286 KK Annotated Mild C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC[C@](C)(COC(=O)CCC(=O)OCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C2 ZINC000169345287 KK Annotated Mild C=C[C@]12CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC[C@](C)(COC(=O)CCC(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C2 ZINC000169345288 KK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\OC(=O)CCC(=O)OCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000169345290 KK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C/C(=N\OC(=O)CCC(=O)OCCCCOc4no[n+]([O-])c4S(=O)(=O)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000169345291 KK Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](OC(C)=O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169345342 KK Annotated Anodyne C=C(C)CN(CC)C[C@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C)OC ZINC000169345347 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN(C)c1ncccn1)OC)[C@@H]3OC ZINC000169345363 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN=[N+]=[N-])OCc1ccccc1)[C@@H]3OC ZINC000169345366 KK Annotated Mild CN(C)c1ccc2c(-c3ccc(C(=O)N[C@H](CCCCNC(=O)CCCc4ccc5c(c4)C(C)(C)[C@@]4(C=Nc6c(ccc7ccccc67)O4)N5C)C(=O)O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000169345392 KK Annotated Bother CN(C)c1ccc2c(-c3ccc(C(=O)N[C@H](CCCCNC(=O)CCCc4ccc5c(c4)C(C)(C)[C@]4(C=Nc6c(ccc7ccccc67)O4)N5C)C(=O)O)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000169345395 KK Annotated Bother O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCN(c4ccccc4)CC3)ccc1C2)c1ccc(Cl)s1 ZINC000169345778 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CC#N)OC)[C@@H]3OC ZINC000169345780 KK Annotated Mild O=C(c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1Cl)N1CCC2(CC1)OCC(c1ccccc1)CO2 ZINC000169345998 KK Annotated Anodyne O=C1OC2(CCN(C(=O)c3nn4c(C(F)(F)F)cc(C5CC5)cc4c3Cl)CC2)CN1Cc1ccccc1 ZINC000169346016 KK Annotated Anodyne C=CCN(C)C[C@H](C[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C)OC ZINC000169346132 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)NC1CC1 ZINC000169346170 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)NC1CCCC1 ZINC000169346172 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)NC1CCCCC1 ZINC000169346173 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)NC1CCCCCC1 ZINC000169346174 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)NC1CCCCCCC1 ZINC000169346175 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)N1CCCC1 ZINC000169346176 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CCCCCN1CCCC1)C(=O)N1CCCCC1 ZINC000169346177 KK Annotated Anodyne COc1cc(-c2ccc(COc3cc([C@@H](CC(=O)O)C4CC4)ccn3)cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000169346179 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169346199 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1 ZINC000169346312 KK Annotated Anodyne COc1cc(/C=C2\CC[C@@H](C)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)ccc1OCc1ccccc1 ZINC000169346370 KK Annotated Mild COc1cc(/C=C2\CC[C@H](C)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)ccc1OCc1ccccc1 ZINC000169346371 KK Annotated Mild C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c%19c(c%18%14)c9c%13c%10c6c9c24)C2=C4c6c(c-%16c9c%10c6[C@H]([C@H]5C7=C%10[C@]5(C[N+](C)(C)C[C@@]8%115)[C@H]9[C@@H]%15%12)[C@@]43C1)[C@@H]%17[C@@H]2%20 ZINC000169346508 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c%19c(c%18%14)c9c%13c%10c6c9c24)C2=C4c6c(c-%16c9c%10c6[C@H]([C@H]5C7=C%10[C@]5(C[N+](C)(C)C[C@]8%115)[C@H]9[C@@H]%15%12)[C@@]43C1)[C@@H]%17[C@@H]2%20 ZINC000169346513 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c%19c(c%18%14)c9c%13c%10c6c9c24)C2=C4c6c(c-%16c9c%10c6[C@@H]([C@H]5C7=C%10[C@]5(C[N+](C)(C)C[C@@]8%115)[C@H]9[C@@H]%15%12)[C@@]43C1)[C@@H]%17[C@@H]2%20 ZINC000169346516 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@@]8%114)[C@@H]9[C@H]7C5=C6[C@]23C1 ZINC000169346520 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169346523 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000169346526 KK Annotated Bother CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccncc3C)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346546 KK Annotated Anodyne CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)cc3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346547 KK Annotated Mild CCn1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(C#N)c(C)c3)c(=O)n(Cc3ccc(C(F)(F)F)nc3C)n2c1=O ZINC000169346548 KK Annotated Mild CCc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nn(CC)c(=O)n21 ZINC000169346549 KK Annotated Mild Cc1nc(C(F)(F)F)ccc1Cn1c(=O)c(-c2ccc(C#N)cc2)c(-c2ccc(Cl)cc2)c2nn(C(C)C)c(=O)n21 ZINC000169346550 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346699 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)c3ccco3)[C@H](OC(=O)c3ccco3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346707 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)c3cccs3)[C@H](OC(=O)c3cccs3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346709 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)c3ccccc3C(=O)O)[C@H](OC(=O)c3ccccc3C(=O)O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000169346713 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346715 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)[C@@]2(C)CO)[C@@H]1C/C=C1\C=COC1=O ZINC000169346724 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)[C@@]2(C)COC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346731 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)c3cccs3)[C@@]2(C)COC(=O)c2cccs2)[C@@H]1C/C=C1\C=COC1=O ZINC000169346732 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)CCCC)[C@@]2(C)COC(=O)CCCC)[C@@H]1C/C=C1\C=COC1=O ZINC000169346733 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)c3ccccc3C(=O)O)[C@@]2(C)COC(=O)c2ccccc2C(=O)O)[C@@H]1C/C=C1\C=COC1=O ZINC000169346735 KK Annotated Mild CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(C[C@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169346832 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(C[C@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169346834 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@H]3[C@@](O)(C[C@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169346837 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2([C@@H](C)OC(C)=O)COCC=C[C@H]2[C@]2(C)CC[C@H]3[C@@](O)(C[C@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)[C@H]12 ZINC000169346838 KK Annotated Anodyne COCCOCCOCC[N+]1(C)C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@@H]68 ZINC000169346841 KK Annotated Bother COCCOCCOCC[N+]1(C)C[C@@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@@H]68 ZINC000169346844 KK Annotated Bother CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OCc3ccccc3)ncn2)c1)OCC ZINC000169346851 KK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3ccccc3OCc3ccccc3)ncn2)c1)OCC ZINC000169346852 KK Annotated Anodyne CCC[P@@](=O)(Cc1cccc(Nc2cc(-c3cccc(OCc4ccccc4)c3)ncn2)c1)OCC ZINC000169346866 KK Annotated Anodyne CCC[P@](=O)(Cc1cccc(Nc2cc(-c3cccc(OCc4ccccc4)c3)ncn2)c1)OCC ZINC000169346868 KK Annotated Anodyne CC[C@H](CC(=O)O)c1ccnc(OCc2ccc(-c3cc(OC)ncc3F)c([C@@H]3CCCC3(C)C)c2)c1 ZINC000169346883 KK Annotated Anodyne C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000169346925 KK Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000169346926 KK Annotated Mild C=C1CCC[C@@H]2Nc3ccc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000169346928 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](OCCCN(CC(=O)O)C(=O)C[C@@H](O)CCCCCCCCCCC)[C@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169346935 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H]1[C@@H](OCCCN(CC(=O)O)C(=O)C[C@@H](O)CCCCCCCCCCC)O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@@H](O)CCCCCCCCCCC ZINC000169346937 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](OCCCN(CC(=O)O)C(=O)C[C@@H](O)CCCCCCCCCCC)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169346939 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)N[C@H]1[C@@H](OCCCN(CC(=O)O)C(=O)C[C@@H](O)CCCCCCCCCCC)O[C@@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@@H](O)CCCCCCCCCCC ZINC000169346940 KK Annotated Mild CCOC(=O)c1ccc(OCCCCCCCCCCSc2ncc([N+](=O)[O-])n2C)c([N+](=O)[O-])c1 ZINC000169347006 KK Annotated Bother COc1cc(-c2cc(OC)c(O)c3c2C[C@H]2[C@H]4C[C@@H](OC)[C@H](NS(=O)(=O)c5ccc(C)cc5)C[C@@]34CCN2C)c2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1C[C@@H](OC)[C@H](NS(=O)(=O)c1ccc(C)cc1)C3 ZINC000169347014 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C\COc2cc(c3ccccc3c2)-c2c(ccc3ccccc23)OCCCC(=O)N[C@H](CCCCN)C(=O)N1 ZINC000169347096 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169347136 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169347138 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169347140 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000169347142 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C\Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1 ZINC000169347170 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C\Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1 ZINC000169347172 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C\Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCNC(=N)NS(=O)(=O)c2c(C)c(C)c3c(c2C)CCC(C)(C)O3)C(=O)N1 ZINC000169347174 KK Annotated Anodyne CCC[C@@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169347230 KK Annotated Anodyne C=CCN(CC=C)CC[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C ZINC000169347232 KK Annotated Mild CCC[C@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169347233 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347251 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347253 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347255 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347257 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000169347321 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000169347323 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000169347325 KK Annotated Anodyne C[C@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C/C/C=5)C7)[C@H]%10[C@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000169347348 KK Annotated Bother C[C@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C/C=5)C7)[C@H]%10[C@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000169347349 KK Annotated Bother C[C@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C/C\C=5)C7)[C@H]%10[C@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000169347352 KK Annotated Bother C[C@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C\C=5)C7)[C@H]%10[C@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000169347356 KK Annotated Bother CC[C@@H](C[C@@H](C)C[C@H](C)C[C@H](C)C(=O)O)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@@](C)([C@@H](C)O)O2)O1 ZINC000169347427 KK Annotated Mild C[C@@H](C[C@H](C)C[C@H](C)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@@](C)([C@@H](C)O)O2)O1)C[C@H](C)C(=O)O ZINC000169347434 KK Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N5C6=C7[C@H]8C[C@@H]9N(C/C8=C/C)[C@@H](C8=C[C@@H]%10[C@@H]%11N(C8=O)c8ccccc8[C@@]%118CCN%11C/C(=C/C)[C@@H]%10C[C@H]%118)C[C@@]98c9ccccc9N(C6=C([C@H]1C[C@H]23)[C@H]54)[C@@H]78 ZINC000169347437 KK Annotated Anodyne C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c4c7c4c%22c(c%21%17)c7c%16c%13c%10c7c84)[C@H]2[C@H]%20c2c-%19c4c7c8c2[C@]3(C1)C1=C5[C@@H]2[C@@H]3[C@@H](C5=C%12[C@@H]%14[C@@H](C7=C5[C@H]3[C@@H]18)[C@@H]4[C@H]%18%15)[C@@H]%11[C@@]91C[N+](C)(C)C[C@@]621 ZINC000169347456 KK Annotated Bother C[N+]1(C)C[C@@]23C4=C5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6[C@@]6%25C[N+](C)(C)C[C@]%236[C@H]%21[C@@H]6C%21=C%20[C@@H]%18[C@H]%18C%20=C%21[C@H]([C@@H]6[C@@H]5%25)[C@@H]4c4c%20c(c-%13c(c42)[C@@H]%12[C@H]9[C@]73C1)[C@H]%18[C@H]%14%17)c8c1c%10c(c%11%15)c2c%16c%19c%22c2c%241 ZINC000169347459 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c4c7c4c%22c(c%21%17)c7c%16c%13c%10c7c84)[C@H]2[C@H]%20c2c-%19c4c7c8c2[C@]3(C1)C1=C5[C@@H]2[C@H]3[C@@H](C5=C7[C@H]([C@H]%14C%12=C5[C@H]3[C@@H]%11[C@@]93C[N+](C)(C)C[C@@]623)[C@@H]4[C@H]%18%15)[C@H]18 ZINC000169347462 KK Annotated Bother C[N+]1(C)C[C@@]23C4=C5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6[C@@]6%25C[N+](C)(C)C[C@]%236[C@H]%21[C@@H]6C%21=C%20[C@@H]%18[C@H]%18C%20=C%21[C@@H]([C@H]4c4c%20c(c-%13c(c42)[C@@H]%12[C@H]9[C@]73C1)[C@H]%18[C@H]%14%17)[C@@H]6[C@@H]5%25)c8c1c%10c(c%11%15)c2c%16c%19c%22c2c%241 ZINC000169347464 KK Annotated Bother CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccc(C(C)(C)C)cc3)s1)c1c(O)ccc(C(F)(F)F)c12 ZINC000169347485 KK Annotated Anodyne COC(=O)c1ccc(O)c2c1C1(CCN(CC(C)(C)C)CC1)CN2c1ccccc1Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000169347489 KK Annotated Anodyne CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3ccc(OC(F)(F)F)cc3)s1)c1c(O)ccc(Cl)c12 ZINC000169347491 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@H]1O[C@H]2/C=C\C/C=C\C(C)=C/[C@@H]3O[C@H](C/C=C\C=C/C(=O)O[C@@H](C2)[C@]1(C)CO)C[C@@H](O)[C@@H]3C ZINC000169347497 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@H]1O[C@H]2/C=C/C/C=C\C(C)=C/[C@@H]3O[C@H](C/C=C\C=C/C(=O)O[C@@H](C2)[C@]1(C)CO)C[C@@H](O)[C@@H]3C ZINC000169347500 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@H]1O[C@H]2/C=C\C/C=C/C(C)=C\[C@@H]3O[C@H](C/C=C\C=C/C(=O)O[C@@H](C2)[C@]1(C)CO)C[C@@H](O)[C@@H]3C ZINC000169347503 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@H]1O[C@H]2/C=C/C/C=C/C(C)=C\[C@@H]3O[C@H](C/C=C\C=C/C(=O)O[C@@H](C2)[C@]1(C)CO)C[C@@H](O)[C@@H]3C ZINC000169347505 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347507 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347508 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347510 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169347512 KK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000169347581 KK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(I)cc1 ZINC000169347582 KK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000169347583 KK Annotated Mild C=C1CCC[C@@H]2Nc3c(F)cc(Br)cc3[C@]12CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000169347586 KK Annotated Mild COc1cccc(NC[C@@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1 ZINC000169347608 KK Annotated Anodyne COc1cccc(NC[C@H](F)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)n1 ZINC000169347610 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)COS(=O)(=O)c1ccc(C)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169347674 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)COS(=O)(=O)c1ccc(C)cc1)[C@@H]3OC ZINC000169347675 KK Annotated Mild N#Cc1ccc(CO[C@@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C#N)cc2)cc1 ZINC000169347728 KK Annotated Mild N#Cc1ccc(CO[C@@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C#N)cc2)cc1 ZINC000169347730 KK Annotated Mild O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000169347746 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000169347748 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000169347750 KK Annotated Anodyne C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@H]54)[C@@H]69 ZINC000169347752 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CNCC(=O)OCCCC)OC)[C@@H]3OC ZINC000169347754 KK Annotated Mild O[C@@H]([C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@@H](O)[C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000169347965 KK Annotated Mild O=C(Oc1ccccc1)N1[C@@H]2C3[C@H]4N(C(=O)Oc5ccccc5)[C@@H]5C([C@@H](c6ccccc6)C24CO)[C@@H]1C5(CO)[C@H]3c1ccccc1 ZINC000169347991 KK Annotated Anodyne CC[C@@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348063 KK Annotated Mild CC[C@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348065 KK Annotated Mild CC[C@@]1(c2ccccc2)CC(=O)C([C@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348066 KK Annotated Mild CC[C@]1(c2ccccc2)CC(=O)C([C@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348068 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000169348078 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000169348079 KK Annotated Mild O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)cc(F)c4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348212 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)cc(F)c4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348213 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348214 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4cc(F)c(F)c(F)c4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348215 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@@H]2O[C@@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000169348216 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348217 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]2/C=C(/C)CC[C@@H]2O[C@@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000169348218 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@@H]2O[C@@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000169348219 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348220 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(/C)CC[C@@H]2O[C@@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000169348221 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348222 KK Annotated Anodyne O=C1OCC2=C1[C@H](c1ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)cc1)c1c(-c3ccccc3)n[nH]c1N2 ZINC000169348223 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@@](=O)(O)Cc6ccccc6Cl)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000169348448 KK Annotated Anodyne O=C(O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(Oc7ccccc7F)cc6)c5c4)cc32)c1 ZINC000169348525 KK Annotated Anodyne Cn1nnc2ccc(Cn3ccc4ccc(-c5ccc6ccn(Cc7cccc(C(=O)O)c7)c6c5)cc43)cc21 ZINC000169348526 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CSc1ccc(OC)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169348548 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CSc1ccc(OC)cc1)[C@@H]3OC ZINC000169348550 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@@](=O)(O)Cc6ccccc6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000169348595 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169348596 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169348598 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169348601 KK Annotated Anodyne C[C@@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348730 KK Annotated Mild C[C@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348732 KK Annotated Mild C[C@@]1(c2ccccc2)CC(=O)C([C@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348734 KK Annotated Mild C[C@]1(c2ccccc2)CC(=O)C([C@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169348736 KK Annotated Mild CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 ZINC000169349035 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000169349037 KK Annotated Reactive Cc1c(O)ccc2c(OS(=O)(=O)c3ccc4ccccc4c3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349084 KK Annotated Anodyne Cc1c(O)ccc2c(OS(=O)(=O)c3ccc4cccnc4c3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349085 KK Annotated Anodyne COc1c(Br)cc2c(OC)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc2c1C ZINC000169349087 KK Annotated Anodyne COc1c(C#Cc2ccccc2)cc2c(OS(=O)(=O)c3ccc(C)cc3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc2c1C ZINC000169349089 KK Annotated Mild COc1ccc(C#Cc2cc3c(OS(=O)(=O)c4ccc(C)cc4)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c(C)c2OC)cc1 ZINC000169349090 KK Annotated Mild COc1c(C#CCN(C)C)cc2c(OS(=O)(=O)c3ccc(C)cc3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc2c1C ZINC000169349092 KK Annotated Mild C#Cc1cc2c(OS(=O)(=O)c3ccc(C)cc3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc2c(C)c1OC ZINC000169349093 KK Annotated Mild COc1ccc(-c2cc3c(OS(=O)(=O)c4ccc(C)cc4)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c(C)c2OC)cc1 ZINC000169349094 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc3c(C)c(O)c(Br)cc23)cc1 ZINC000169349096 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1CCC(C(F)(F)F)CC1)OC)[C@@H]3OC ZINC000169349133 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169349201 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\N5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169349202 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169349204 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169349207 KK Annotated Mild CC(/C=C/CCCC/C=C/c1oc(=O)c(C)c(O)c1C)=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)CCc1ccccc1 ZINC000169349355 KK Annotated Anodyne CC(/C=C/CCCC/C=C/c1oc(=O)c(C)c(O)c1C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)CCc1ccccc1 ZINC000169349357 KK Annotated Anodyne CS(=O)(=O)Cc1cccc(Nc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)c(F)c3)n2)c1 ZINC000169349439 KK Annotated Anodyne C=C(C)CN(CC)CC[C@H]1O[C@H]2C[C@H]3O[C@@H](CC[C@@H]4O[C@@H](CC[C@@]56C[C@H]7O[C@H]8[C@@H](O5)[C@H]5O[C@H](CC[C@@H]5O[C@H]8[C@H]7O6)CC(=O)C[C@@H]2[C@H]1OC)CC4=C)C[C@@H](C)C3=C ZINC000169349544 KK Annotated Mild O=S(=O)(Oc1ccc2oc(-c3ccccc3)cc2c1CN1CCC(N2CCCCC2)CC1)C(F)(F)F ZINC000169349611 KK Annotated Unstable COC(=O)CCc1coc2cc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 ZINC000169349714 KK Annotated Anodyne Cc1c(C(=O)O)oc2cc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12 ZINC000169349716 KK Annotated Anodyne Cc1c(/C=C/C(=O)O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c12 ZINC000169349730 KK Annotated Anodyne CCOC(=O)CNC(=O)/C=C/c1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c2c1C ZINC000169349731 KK Annotated Anodyne CCOC(=O)CCc1oc2ccc(Cl)c(C(=O)Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c2c1C ZINC000169349733 KK Annotated Anodyne Cc1c(CCC(=O)O)oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c12 ZINC000169349734 KK Annotated Anodyne CCOC(=O)CNC(=O)CCc1oc2ccc(Cl)c(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)c2c1C ZINC000169349735 KK Annotated Anodyne C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@@]4(CC[C@H]3[C@H](/C=C/c3ccc(-c5cccc(C(F)(F)F)c5)cn3)[C@H]12)CNC(=O)O4 ZINC000169349840 KK Annotated Anodyne C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@]4(CC[C@H]3[C@H](/C=C/c3ccc(-c5cccc(C(F)(F)F)c5)cn3)[C@H]12)CNC(=O)O4 ZINC000169349841 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OC[C@H](OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)[C@@H]2OC(=O)C(O)=C2O)cc1 ZINC000169350038 KK Annotated Anodyne C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)[C@@H]1OC(=O)C(O)=C1O ZINC000169350042 KK Annotated Reactive Cc1ccc(-c2coc(Nc3cc(-c4ccc(C)cc4)n(-c4nc(-c5ccc(C)cc5)cs4)n3)n2)cc1 ZINC000169350090 KK Annotated Anodyne Clc1ccc(-c2coc(Nc3cc(-c4ccc(Cl)cc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)n2)cc1 ZINC000169350091 KK Annotated Anodyne Clc1ccc(-c2csc(Nc3cc(-c4ccc(Cl)cc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)n2)cc1 ZINC000169350094 KK Annotated Anodyne Cc1ccc(-c2c[nH]c(Nc3cc(-c4ccc(C)cc4)n(-c4nc(-c5ccc(C)cc5)cs4)n3)n2)cc1 ZINC000169350096 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(Sc4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169350272 KK Annotated Anodyne Cc1ccc2c(ccn2C[C@@H]2C/C=C\[C@H](c3ccc(C[P@@](=O)(O)Cc4ccccc4)cc3)[C@H](CC(=O)O)C(=O)NC3(CCCCC3)C(=O)N[C@@H](CC(N)=O)C(=O)NC2)c1 ZINC000169350286 KK Annotated Anodyne Clc1ccc(-c2c[nH]c(Nc3cc(-c4ccc(Cl)cc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)n2)cc1 ZINC000169350325 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(OC(=O)c4cccs4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169350530 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1CC=CC(=O)O1)OC(C)=O ZINC000169350550 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350561 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350563 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350565 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350567 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350570 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350572 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350573 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169350576 KK Annotated Anodyne CCN(CC)c1ccc(Cc2c(Cc3ccc(OC)c(OC)c3)nc(NC(=O)c3cc(OC)c(OC)c(OC)c3)n2C)cc1 ZINC000169350618 KK Annotated Anodyne COc1ccc(Cc2nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n(C)c2Cc2ccc(OC)cc2)cc1 ZINC000169350624 KK Annotated Anodyne COc1ccc(Cc2nc(N(C(=O)c3ccc(OC)c(OC)c3)C(=O)c3ccc(OC)c(OC)c3)n(C)c2Cc2ccc(OC)cc2)cc1 ZINC000169350628 KK Annotated Anodyne COc1ccc(Cc2nc(N(C(=O)c3ccc(OC)c(OC)c3)C(=O)c3ccc(OC)c(OC)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000169350629 KK Annotated Anodyne CCN(CC)c1ccc(Cc2c(Cc3ccc(OC)c(OC)c3)nc(N(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)n2C)cc1 ZINC000169350632 KK Annotated Anodyne COc1ccc(Cc2nc(N(C(=O)CCc3cc(OC)c(OC)c(OC)c3)C(=O)CCc3cc(OC)c(OC)c(OC)c3)n(C)c2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000169350634 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C(/C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169350637 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C(/C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169350641 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(OC(=O)c4ccc[nH]4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169350776 KK Annotated Anodyne CCN(CC)Cc1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000169350790 KK Annotated Reactive O=C1OC[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\CC[C@H]1Cc1ccc(F)cc1 ZINC000169350796 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3cccc(NC(=O)c4ccccc4)c3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169350807 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1CC=CC(=O)O1)OC(C)=O ZINC000169350830 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(C(=O)Oc4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169350833 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000169350951 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000169350953 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000169350956 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000169350957 KK Annotated Mild C=C1C[C@H](O)[C@@H]2O[C@H]2C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@H](/C=C/c3csc(C)n3)C1)O2 ZINC000169351030 KK Annotated Mild C=C1C[C@H](/C=C/c2csc(C)n2)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000169351032 KK Annotated Mild O=C(C[C@H]1C/C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169351216 KK Annotated Anodyne C=C1C[C@H](O)[C@@H]2O[C@H]2C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@H](/C=C/C3CCCCC3)C1)O2 ZINC000169351242 KK Annotated Mild C=C1C[C@H](O)[C@@H]2O[C@H]2C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@H](/C=C/C3CCCCC3)C1)O2 ZINC000169351243 KK Annotated Mild C=C1C[C@H](/C=C/C2CCCCC2)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000169351246 KK Annotated Mild C[N+]1(C)C[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%15c%12c(c%20%16)c%21c%15c%23c5c(c68)c%15c%12%11)[C@]2(C1)[C@H]%22[C@@H]%19c1c-%18c2c5c(c13)[C@H]4[C@@H]7C9=C5[C@]1(C[N+](C)(C)C[C@@]%10%131)[C@H]2[C@H]%17%14 ZINC000169351310 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@]%104C=9[C@@H]8[C@@H]7C5=C6[C@]23C1 ZINC000169351316 KK Annotated Bother C[N+]1(C)C[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%15c%12c(c%20%16)c%21c%15c%23c5c(c68)c%15c%12%11)[C@]2(C1)[C@H]%22[C@@H]%19c1c-%18c2c5c(c13)[C@@H]4[C@@H]7C9=C5[C@]1(C[N+](C)(C)C[C@@]%10%131)[C@H]2[C@H]%17%14 ZINC000169351320 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@]%104C=9[C@H]8[C@@H]7C5=C6[C@]23C1 ZINC000169351323 KK Annotated Bother CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCCC(=O)NCc4ccc5c(c4)CO[C@@]5(CCCN(C)C)c4ccc(F)cc4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000169351373 KK Annotated Bother COc1cc(/C=C/C(O)=C/[C@H](O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169351578 KK Annotated Anodyne COc1cc(/C=C/C(O)=C/[C@@H](O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169351580 KK Annotated Anodyne CCc1cc2c(nc1CC)CCN(CC/C(C)=N\OC[C@@H]1O[C@@H](c3ccccc3)C=C[C@@H]1Oc1ccc(OC)cc1)C2 ZINC000169351633 KK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OC[C@@H]1O[C@@H](c3ccccc3)C=C[C@@H]1Oc1ccc(OC)cc1)C2 ZINC000169351635 KK Annotated Mild CCC1=C[C@@H]2CN(C1)C[C@H](CN1CCC[C@H]1C(=O)OC)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000169351711 KK Annotated Anodyne COc1cc(O)cc2c1[C@@H](/C=C/c1ccc(O)cc1)[C@@H]1[C@@H](c3ccccc3)Oc3cc(O)cc(OC)c3[C@@H]1O2 ZINC000169351712 KK Annotated Anodyne COc1cc(O)cc2c1[C@@H](/C=C/c1ccccc1)[C@@H]1[C@@H](c3ccccc3)Oc3cc(O)cc(OC)c3[C@@H]1O2 ZINC000169351716 KK Annotated Anodyne COCCOCCOC[C@@H]1[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%11c%12c9c9c%14c%15c(c9%21)c9c%17c%18c%19c9%20)[C@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169351722 KK Annotated Bother COCCOCCOC[C@H]1[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%11c%12c9c9c%14c%15c(c9%21)c9c%17c%18c%19c9%20)[C@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169351725 KK Annotated Bother COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%11c%12c9c9c%14c%15c(c9%21)c9c%17c%18c%19c9%20)[C@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169351729 KK Annotated Bother COCCOCCOC[C@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%11c%12c9c9c%14c%15c(c9%21)c9c%17c%18c%19c9%20)[C@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169351733 KK Annotated Bother CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(C)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169351772 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(C)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169351774 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(C)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169351776 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(C)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169351778 KK Annotated Anodyne C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3ccc(N4CCOCC4)c(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000169351874 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3ccc(N4CCOCC4)c(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000169351875 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3cc(F)c(F)c(F)c3)C2=O)cc1 ZINC000169351876 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3cc(F)c(F)c(F)c3)C2=O)cc1 ZINC000169351877 KK Annotated Mild CCCCCCCCCCn1nc(-n2cc(Cn3c(N)nc(C(F)(F)F)cc3=O)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351936 KK Annotated Mild Nc1nc(C(F)(F)F)cc(=O)n1Cc1cn(-c2nn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c3nc(C(F)(F)F)ccc23)nn1 ZINC000169351937 KK Annotated Mild CCCCCCCCn1nc(-n2cc(COc3cc(C(F)(F)F)nc(N)n3)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351945 KK Annotated Mild CCCCCCCCCCn1nc(-n2cc(COc3cc(C(F)(F)F)nc(N)n3)nn2)c2ccc(C(F)(F)F)nc21 ZINC000169351946 KK Annotated Mild Nc1nc(OCc2cn(-c3nn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c4nc(C(F)(F)F)ccc34)nn2)cc(C(F)(F)F)n1 ZINC000169351947 KK Annotated Mild O=C(NCc1ccc(F)cc1F)c1c(Nc2ccc3c(c2)Cc2ccccc2-3)c2cccnc2n(O)c1=O ZINC000169351996 KK Annotated Anodyne N#Cc1ccc(-c2ccc(Nc3c(C(=O)NCc4ccc(F)cc4F)c(=O)n(O)c4ncccc34)cc2)cc1 ZINC000169351998 KK Annotated Mild CC1=C[C@@H]2c3c(O)cc(C=O)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000169352032 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(C=O)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000169352033 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(OC)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169352079 KK Annotated Mild C[N+]1(C)C[C@]23C4=C5C6=C7[C@@H]8C9=c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c2c2c%24c%25c(c%10c(c%11%15)c%10c%16c%19c(c%25%10)c%10c%20c%23c4c%24%10)[C@H]2[C@@H]9[C@@]73C1)[C@H]1C%22=C2c3c(c6c(c-%13c3[C@@H]([C@H]%14%17)[C@@]23C[N+](C)(C)C[C@@]%21%183)[C@H]%128)[C@@H]51 ZINC000169352153 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c2c2c4c4c6c9c%12c4c4c2c%22c(c%15c%17%21)c%134)[C@@H]%20[C@@H]2c4c6c9c%12c(c4-%19)[C@H]%18[C@@H]4C%13=C%12C(=C8[C@@]%108C[N+](C)(C)C[C@]%138[C@H](C=%164)[C@@H]%11%14)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000169352156 KK Annotated Bother C[N+]1(C)C[C@]23C4=C5C6=C7[C@@H]8C9=c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c2c2c%24c%25c(c%10c(c%11%15)c%10c%16c%19c(c%25%10)c%10c%20c%23c4c%24%10)[C@H]2[C@@H]9[C@@]73C1)[C@H]1C%22=C2c3c(c6c(c-%13c3[C@H]([C@H]%14%17)[C@@]23C[N+](C)(C)C[C@@]%21%183)[C@H]%128)[C@@H]51 ZINC000169352159 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c(c2c2c4c4c6c9c%12c4c4c2c%22c(c%15c%17%21)c%134)[C@@H]%20[C@H]2c4c6c9c%12c(c4-%19)[C@H]%18[C@@H]4C%13=C%12C(=C8[C@@]%108C[N+](C)(C)C[C@]%138[C@H](C=%164)[C@@H]%11%14)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000169352161 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C/C1=C(C)C[C@@H](OP(=O)(O)O)CC1(C)C ZINC000169352239 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C/C1=C(C)C[C@H](OP(=O)(O)O)CC1(C)C ZINC000169352241 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C/C1=C(C)C[C@@H](OP(=O)(O)O)CC1(C)C ZINC000169352243 KK Annotated Bother CC1=C[C@@H](OP(=O)(O)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=C/C1=C(C)C[C@H](OP(=O)(O)O)CC1(C)C ZINC000169352245 KK Annotated Bother C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c6n(c4cc3OC)C[C@H]3C[C@@H](CC)[C@@H](NCC5)[C@@]6(C(=O)OC)C3)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169352309 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c(cc3OC)c3c5n4C[C@H]4C[C@@H](CC)[C@@H](NCC3)[C@@]5(C(=O)OC)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169352310 KK Annotated Clean C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169352319 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169352320 KK Annotated Anodyne O=C1N[C@H](O)[C@H](c2c(Br)[nH]c3ccc(Br)cc23)n2c(Br)c(Br)c(Br)c21 ZINC000169352327 KK Annotated Anodyne O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1cccnc1Nc1ccc(Br)cc1 ZINC000169352331 KK Annotated Anodyne COc1ccc(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c(OC)c1 ZINC000169352334 KK Annotated Anodyne COc1ccc(OC)c(Nc2ncccc2C(=O)NCc2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c1 ZINC000169352335 KK Annotated Anodyne C[C@@H]1[C@@H]2c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%18c%19c%20c%21c(c3c3c5c8c5c3c%21c%19c3c%13c%12c9c35)[C@@]23CC=%20[C@@]3([C@@H]2C[N+](C)(C)C[C@@]%162c2cc3c5c(c2-%15)[C@H]([C@H]%14%11)[C@]2(C[N+](C)(C)C[C@@]7%102)C5=C6[C@@H]4[C@H]31)[C@H]%17%18 ZINC000169352366 KK Annotated Bother C[C@H]1[C@@H]2c3c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%13c%13c%18c%19c%20c%21c(c3c3c5c8c5c3c%21c%19c3c%13c%12c9c35)[C@@]23CC=%20[C@@]3([C@@H]2C[N+](C)(C)C[C@@]%162c2cc3c5c(c2-%15)[C@H]([C@H]%14%11)[C@]2(C[N+](C)(C)C[C@@]7%102)C5=C6[C@@H]4[C@H]31)[C@H]%17%18 ZINC000169352369 KK Annotated Bother C[C@H]1[C@H]2c3cc4c5c6c3C3=C7c8c9c%10c%11c%12c%13c%14c%15c(c-5c5c%16c%15c%15c%17c%18c%19c%20c%21c%22c(c(c8c8c%22c%22c%20c%18c%18c%15c%14c%11c%18c%22c%108)[C@H]72)[C@H]1[C@]%211CC=%19[C@@]1([C@@H]1C[N+](C)(C)C[C@@]451)[C@H]%16%17)[C@H]%13[C@@H]6[C@]31C[N+](C)(C)C[C@@]9%121 ZINC000169352372 KK Annotated Bother C[C@@H]1[C@H]2c3cc4c5c6c3C3=C7c8c9c%10c%11c%12c%13c%14c%15c(c-5c5c%16c%15c%15c%17c%18c%19c%20c%21c%22c(c(c8c8c%22c%22c%20c%18c%18c%15c%14c%11c%18c%22c%108)[C@H]72)[C@H]1[C@]%211CC=%19[C@@]1([C@@H]1C[N+](C)(C)C[C@@]451)[C@H]%16%17)[C@H]%13[C@@H]6[C@]31C[N+](C)(C)C[C@@]9%121 ZINC000169352374 KK Annotated Bother C[N+]1(C)C[C@@]23C4=C5C6=C7[C@@H]8C9=c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c4c4c2c2c%24c%25c(c%10c(c%11%15)c%10c%16c%19c(c%25%10)c%10c%20c%23c4c%24%10)[C@@H]2[C@H]9[C@]73C1)[C@H]1C%22=C2c3c(c6c(c-%13c3[C@H]([C@H]%14%17)[C@@]23C[N+](C)(C)C[C@]%21%183)[C@@H]%128)[C@@H]51 ZINC000169352377 KK Annotated Bother CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc3c(c2O)C(=O)[C@@H]2Oc4cc(O)ccc4[C@]2(CC=C(C)C)O3)c1O ZINC000169352405 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169352476 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169352477 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169352478 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C2\c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169352481 KK Annotated Mild O=C(Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)O[C@@H](Cn1ccnc1)c1ccc(F)cc1 ZINC000169352608 KK Annotated Anodyne O=C(Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)O[C@H](Cn1ccnc1)c1ccc(F)cc1 ZINC000169352609 KK Annotated Anodyne Cc1cc(Nc2cccc(F)c2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 ZINC000169352613 KK Annotated Reactive C#Cc1cccc(Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 ZINC000169352628 KK Annotated Reactive O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2nc(-c3ccccc3)cc(Nc3cccc(Cl)c3)c2c1 ZINC000169352632 KK Annotated Reactive CO[C@H]1NC(=O)c2c(Br)c(Br)c(Br)n2[C@H]1c1c(Br)[nH]c2ccc(Br)cc12 ZINC000169352635 KK Annotated Anodyne O=c1[nH]cc(-c2c(Br)[nH]c3ccc(Br)cc23)n2c(Br)c(Br)c(Br)c12 ZINC000169352636 KK Annotated Anodyne O=C(NCCc1c(Br)[nH]c2cc(Br)cc(O)c12)c1cc(Br)c(Br)[nH]1 ZINC000169352637 KK Annotated Anodyne CCO[C@H](CNC(=O)c1[nH]c(Br)c(Br)c1Br)c1cc(Br)c(O)c(Br)c1 ZINC000169352639 KK Annotated Anodyne COc1cc(OC)c([C@@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c(OC)c(OC)c(O)c4c(=O)c3c2O)cc1OC ZINC000169352641 KK Annotated Bother COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c(OC)c(OC)c(O)c4c(=O)c3c2O)cc1OC ZINC000169352643 KK Annotated Bother COc1cc(OC)c([C@@H](c2ccccc2)c2c(O)c(OC)c3oc4c(O)c(OC)c(OC)c(OC)c4c(=O)c3c2O)cc1OC ZINC000169352644 KK Annotated Bother COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c3oc4c(O)c(OC)c(OC)c(OC)c4c(=O)c3c2O)cc1OC ZINC000169352645 KK Annotated Bother COc1cc(OC)c([C@@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c(O)c(OC)c(O)c4c(=O)c3c2O)cc1OC ZINC000169352646 KK Annotated Bother COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c(O)c(OC)c(O)c4c(=O)c3c2O)cc1OC ZINC000169352647 KK Annotated Bother COc1cc(OC)c([C@@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c5c(c(OC)c4c(=O)c3c2O)OCO5)cc1OC ZINC000169352648 KK Annotated Bother COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c5c(c(OC)c4c(=O)c3c2O)OCO5)cc1OC ZINC000169352649 KK Annotated Bother O=C(C[C@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000169352681 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2/C(C)=C(\O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000169352691 KK Annotated Mild C[C@H]1/C=C\CC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)/C=C\CC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000169352695 KK Annotated Anodyne C[C@H]1/C=C\CC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)/C=C/CC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000169352697 KK Annotated Anodyne C[C@H]1/C=C/CC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)/C=C\CC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000169352699 KK Annotated Anodyne Cc1nc(-c2cccc(-c3cnn(C)c3)c2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000169352745 KK Annotated Anodyne Cc1nc(-c2cccc(-c3ccnn3C)c2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000169352746 KK Annotated Anodyne Cc1noc(C)c1-c1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3)CCCO4)c2C)cc1 ZINC000169352747 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccncc3)cc2)c(C)c(-c2ccc3c(c2)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000169352748 KK Annotated Anodyne Cc1noc(C)c1-c1ccc(-c2nc(C)c([C@H](OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3)CCCO4)c2C)c(F)c1 ZINC000169352749 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](CCO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000169352774 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](CCO/N=C(/C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000169352776 KK Annotated Mild COc1cc(/C=C/[C@H](O)C[C@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169352821 KK Annotated Anodyne COc1cc(/C=C/[C@H](O)C[C@@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169352823 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)C[C@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169352825 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)C[C@@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169352826 KK Annotated Anodyne O=C(N[C@@H]1C/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169352908 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(N)n2)cc1-c1cccc2ccccc12)C(=O)OC(C)C ZINC000169352970 KK Annotated Anodyne N#Cc1ncc(Br)c(N(CC2CCCC2)NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)n1 ZINC000169352980 KK Annotated Reactive N#Cc1ncc(Br)c(N(NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)C2CCCCC2)n1 ZINC000169352981 KK Annotated Reactive COc1ccc2cc(/C=C/C(=O)O[C@H]3C[C@@]4(O)[C@@H](OC(=O)c5ccccc5)[C@H]([C@]5(OC(C)=O)CO[C@@H]5CCO)/C(C)=C(\O)C(=O)C(=C3C)C4(C)C)ccc2c1 ZINC000169352998 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(/C=N/OC)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353227 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(/C=N/OCC)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353229 KK Annotated Mild O=C(CCCCCCCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)N(CC1CCC1)CC3)Nc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 ZINC000169353238 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)[C@@H](N)C(C)C)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353252 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)[C@@H](N)[C@@H](C)CC)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353253 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)[C@@H](N)CC(C)C)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353255 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)[C@H]3CCCCN3)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353257 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CN3CCCC3)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353260 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(NC(=O)CN3CCCCC3)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353261 KK Annotated Mild Cc1nccn1CCCn1c(-c2ccccc2)cc(-c2nc3ccccc3n2Cc2ccccc2)c1C(C)C ZINC000169353313 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3ccccc3Cl)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353315 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3cccc(Cl)c3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353317 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3ccc(Cl)cc3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353319 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3ccccc3OC)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353320 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3cccc(OC)c3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353321 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3ccc(OC)cc3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353322 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3ccccc3N)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353323 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3cccc(N)c3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353324 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nnc(NC(=O)c3ccc(N)cc3)s2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000169353325 KK Annotated Mild Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Br)cc4)C3)c2I)cc1 ZINC000169353332 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Br)cc4)C3)c2I)cc1 ZINC000169353334 KK Annotated Anodyne O=c1c(OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Br)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353336 KK Annotated Anodyne O=c1c(OCc2nnn([C@@H]3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Br)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353338 KK Annotated Anodyne O=c1c(OCc2nnn(C3C[C@H](c4ccccc4)O[C@@H](c4ccccc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353343 KK Annotated Anodyne O=c1c(OCc2nnn(C3C[C@@H](c4ccccc4)O[C@H](c4ccccc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353345 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn(C3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353347 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn(C3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353348 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@H]32)cc1F ZINC000169353350 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn(C3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353351 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@H]32)cc1F ZINC000169353352 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn(C3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353353 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc1F ZINC000169353354 KK Annotated Anodyne COc1cc([C@@H]2C[C@@H](n3nnc(COc4c(-c5ccc(C)cc5)oc5ccccc5c4=O)c3I)C[C@@H](c3ccccc3)O2)cc(OC)c1OC ZINC000169353355 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc1F ZINC000169353356 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H](C(=O)O)[C@H]21 ZINC000169353358 KK Annotated Anodyne COc1cc([C@@H]2C[C@H](n3nnc(COc4c(-c5ccc(C)cc5)oc5ccccc5c4=O)c3I)C[C@@H](c3ccccc3)O2)cc(OC)c1OC ZINC000169353359 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H](C(=O)O)[C@H]21 ZINC000169353360 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@H]2C[C@@H]1[C@@H]1[C@@H](C(=O)O)[C@@H]12 ZINC000169353362 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@H]1C[C@H]2C[C@@H]1[C@@H]1[C@@H](C(=O)O)[C@@H]12 ZINC000169353364 KK Annotated Anodyne O=c1c(OCc2nnn(C3C[C@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Br)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353365 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@H]32)cc1Cl ZINC000169353366 KK Annotated Anodyne O=c1c(OCc2nnn(C3C[C@@H](c4ccc(Br)cc4)O[C@H](c4ccc(Br)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353367 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@H]32)cc1Cl ZINC000169353368 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc1Cl ZINC000169353369 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccccc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353370 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@H]3C[C@@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc1Cl ZINC000169353371 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@H](c4ccccc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353373 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccccc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353375 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@H](c4ccccc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353377 KK Annotated Anodyne O=c1c(OCc2nnn(C3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353380 KK Annotated Anodyne O=c1c(OCc2nnn(C3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Cl)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353381 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccc(F)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353382 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@H](c4ccc(F)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000169353384 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@@H](c4ccccc4)O[C@@H](c4ccc(OC)cc4)C3)nn2)cc1 ZINC000169353386 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@H](c4ccccc4)O[C@@H](c4ccc(OC)cc4)C3)nn2)cc1 ZINC000169353388 KK Annotated Anodyne O=c1c(OCc2cn(C3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353393 KK Annotated Anodyne O=c1c(OCc2cn(C3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353395 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(OC)cc4)C3)nn2)cc1 ZINC000169353396 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@H](c4ccc(Br)cc4)O[C@@H](c4ccc(OC)cc4)C3)nn2)cc1 ZINC000169353399 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169353406 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353521 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353523 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353525 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353526 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C/C=C\C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353528 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C/C=C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353530 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C/C=C\C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353532 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C/C=C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169353533 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3cc(Br)ccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169353609 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)N[C@H]1CCCc3ccccc31)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000169353643 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2/C(C)=C(\O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(Sc5ccccc5)cc4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000169353695 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(CO)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169353719 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(CO)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169353721 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(CO)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169353722 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(CO)\C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C\[C@@H]2C)cs1 ZINC000169353724 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C\Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 ZINC000169353732 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C\Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N1 ZINC000169353735 KK Annotated Anodyne C/C(=N\n1c(/N=C/c2ccccc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353770 KK Annotated Mild C/C(=N\n1c(/N=C/c2cccc(F)c2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353774 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccc(F)cc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353775 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccccc2Cl)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353776 KK Annotated Mild C/C(=N\n1c(/N=C/c2cccc(Cl)c2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353777 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccc(Cl)cc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353779 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccccc2C)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353780 KK Annotated Mild C/C(=N\n1c(/N=C/c2cccc(C)c2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353782 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccc(C)cc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353784 KK Annotated Mild COc1cccc(/C=N/c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2/N=C(\C)c2nc3ccccc3[nH]2)c1 ZINC000169353785 KK Annotated Mild COc1ccc(/C=N/c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2/N=C(\C)c2nc3ccccc3[nH]2)cc1 ZINC000169353786 KK Annotated Mild C/C(=N\n1c(/N=C/c2cccc(Br)c2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353789 KK Annotated Mild C/C(=N\n1c(/N=C/c2ccc(Br)cc2)c(C#N)c(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O)c1nc2ccccc2[nH]1 ZINC000169353790 KK Annotated Mild O=c1c(OCc2cn(C3C[C@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353855 KK Annotated Anodyne O=c1c(OCc2cn(C3C[C@@H](c4ccc(Br)cc4)O[C@H](c4ccc(Br)cc4)C3)nn2)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000169353856 KK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(COc4c(-c5ccc(Cl)cc5)oc5ccccc5c4=O)nn3)C[C@@H](c3ccccc3)O2)cc1 ZINC000169353857 KK Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(COc4c(-c5ccc(Cl)cc5)oc5ccccc5c4=O)nn3)C[C@@H](c3ccccc3)O2)cc1 ZINC000169353861 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn(C3C[C@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)cc1 ZINC000169353865 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn(C3C[C@@H](c4ccc(Br)cc4)O[C@H](c4ccc(Br)cc4)C3)nn2)cc1 ZINC000169353866 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@@H](c4ccccc4)O[C@@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000169353868 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@H](c4ccccc4)O[C@@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000169353871 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000169353873 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000169353875 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5([P@@](=O)(O)Cc6ccccc6OC)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000169353931 KK Annotated Anodyne O=S(=O)(NC[C@@H]1C[C@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000169354155 KK Annotated Anodyne O=S(=O)(NC[C@H]1C[C@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000169354156 KK Annotated Anodyne CC[C@@H]1[C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000169354190 KK Annotated Mild CC1=C[C@@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169354253 KK Annotated Bother CC1=C[C@@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169354254 KK Annotated Bother CC1=C[C@@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169354255 KK Annotated Bother CC1=C[C@@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169354256 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@]53C1)[C@@H]%11[C@H]7%10)[C@H]%12[C@@H]9%16)c48 ZINC000169354284 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@@H]%11[C@H]7%10)[C@H]%12[C@@H]9%16)c48 ZINC000169354285 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@]53C1)[C@H]%11[C@H]7%10)[C@H]%12[C@@H]9%16)c48 ZINC000169354286 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@H]%11[C@H]7%10)[C@H]%12[C@@H]9%16)c48 ZINC000169354287 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@H]%11[C@@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000169354288 KK Annotated Bother C[N+]12CCN(CC1)[C@@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@H]%11[C@@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000169354289 KK Annotated Bother C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169354305 KK Annotated Clean C/C1=C\[C@H](C)C[C@H](C)OC(=O)/C=C(\c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169354306 KK Annotated Clean C/C1=C/[C@H](C)C[C@H](C)OC(=O)/C=C(\c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169354307 KK Annotated Clean C/C1=C/[C@H](C)C[C@H](C)OC(=O)/C=C(/c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169354308 KK Annotated Clean COc1cc(/C=C/C(O)=C/[C@H](O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169354338 KK Annotated Anodyne COc1cc(/C=C/C(O)=C/[C@@H](O)/C=C/c2ccc(OC(=O)CC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169354339 KK Annotated Anodyne COc1cc(/C=C/[C@H](O)C[C@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169354341 KK Annotated Anodyne COc1cc(/C=C/[C@H](O)C[C@@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169354342 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)C[C@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169354343 KK Annotated Anodyne COc1cc(/C=C/[C@@H](O)C[C@@H](O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3CC[C@@]4(C)[C@@H]5CC[C@H]6[C@@](C)(CC[C@@H]7C(C)(C)[C@H](OC)CC[C@]76C)CC5=CC[C@@H]4C3(C)C)c(OC)c2)ccc1O ZINC000169354344 KK Annotated Anodyne CC[C@@H]1NC(=O)[C@@H](C)C/C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O ZINC000169354347 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169354360 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169354361 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169354362 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000169354363 KK Annotated Mild O=C(N[C@@H]1C/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169354429 KK Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354450 KK Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354460 KK Annotated Anodyne COC(=O)[C@@]1(C/C=C\c2ccccc2)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000169354465 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169354470 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169354472 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169354474 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169354475 KK Annotated Reactive O=C(N[C@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169354477 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169354492 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169354493 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169354494 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169354495 KK Annotated Reactive O=C(N[C@H]1C/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169354496 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@@H]3[C@@H](Cc3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000169354505 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@@H](c4ccccc4)[C@@H](C)C[C@@H]3[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000169354506 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@H]3[C@@H](Cc3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000169354507 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@@H](c4ccccc4)[C@@H](C)C[C@@H]3[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000169354508 KK Annotated Anodyne C/C1=C\[C@@H](C)C[C@@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)C1 ZINC000169354529 KK Annotated Anodyne C/C1=C/[C@@H](C)C[C@@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)C1 ZINC000169354530 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)C1 ZINC000169354531 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)C1 ZINC000169354532 KK Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354535 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169354544 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169354545 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169354546 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169354547 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169354556 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169354557 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169354558 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169354559 KK Annotated Reactive COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000169354561 KK Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N\OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000169354562 KK Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N/OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000169354563 KK Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N/OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000169354564 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169354571 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169354572 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169354573 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169354574 KK Annotated Reactive COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@@H]2O)c1 ZINC000169354580 KK Annotated Mild O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354706 KK Annotated Anodyne COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169354707 KK Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000169354708 KK Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169354734 KK Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169354735 KK Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169354736 KK Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169354737 KK Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000169354779 KK Annotated Mild COC(=O)[C@@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000169354780 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(OC(=O)c4ccc(Br)cc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169354784 KK Annotated Anodyne C=CC[N+]1(CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000169354810 KK Annotated Mild O=C1N(Cc2ccc(Br)cc2)c2cccc(Br)c2[C@]12O[C@@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000169354863 KK Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2cccc(Br)c2[C@]12O[C@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000169354864 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169354871 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000169354872 KK Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169354908 KK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1C(=O)OC ZINC000169354923 KK Annotated Anodyne CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc([C@@H]6C[C@@H]7[C@H](CC)CN(C)[C@H](Cc8c6[nH]c6ccccc86)[C@H]7C(=O)OC)c(OC)cc5c4CCN(C2)[C@@H]13 ZINC000169355054 KK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1cccc(C(=O)OC)c1 ZINC000169355065 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@H]1[C@H]2C(=O)OC ZINC000169355072 KK Annotated Anodyne O=C(N[C@@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169355088 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)NCCCCCOc2ccc3ccccc3c2)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355270 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)NCCCCCOc2ccc3ccccc3c2)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355271 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)NCCCCCOc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355272 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)NCCCCCOc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355273 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355308 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355309 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355310 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355311 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355317 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355318 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355319 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355320 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355321 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355322 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355323 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169355324 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169355359 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169355360 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169355361 KK Annotated Anodyne CCCc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000169355396 KK Annotated Anodyne CCCc1cc(O)c2c(c1)[C@@H]([C@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000169355397 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)/C=C3/O[C@@](C)(C[C@@H]31)/C1=C/C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C\[C@H]12 ZINC000169355405 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)/C=C3/O[C@@](C)(C[C@@H]31)/C1=C\C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C\[C@H]12 ZINC000169355406 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)/C=C3/O[C@@](C)(C[C@@H]31)/C1=C\C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C/[C@H]12 ZINC000169355407 KK Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169355408 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccc([N+](=O)[O-])cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169355461 KK Annotated Bother CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccc6c(c5)OCO6)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169355467 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OC(C)(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169355468 KK Annotated Anodyne C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000169355508 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000169355509 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000169355510 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000169355511 KK Annotated Mild CCCCCOC(=O)NC[C@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000169355517 KK Annotated Anodyne C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169355519 KK Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169355520 KK Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169355521 KK Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169355522 KK Annotated Reactive O=C(N[C@H]1C/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169355529 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccccc3c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H](C)C2 ZINC000169355556 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@H]1CC(=O)Nc1ccc3ccccc3c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H](C)C2 ZINC000169355557 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5cnc6ccccc6c5)C3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355602 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5cnc6ccccc6c5)C3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355603 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5cnc6ccccc6c5)C3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355604 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5cnc6ccccc6c5)C3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169355605 KK Annotated Mild CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@@H]2C(=O)O1 ZINC000169355638 KK Annotated Anodyne CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@@H]2C(=O)O1 ZINC000169355639 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@@H]2C(=O)O1 ZINC000169355640 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@@H]2C(=O)O1 ZINC000169355641 KK Annotated Anodyne C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169355714 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169355715 KK Annotated Mild C/C(CCC(=O)OC[C@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169355716 KK Annotated Mild C/C(CCC(=O)OC[C@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000169355717 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169355729 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169355730 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169355731 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000169355732 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C\c2ccc(C(=O)N3[C@@H](C(=O)OC)CC[C@@H](C)[C@@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169355766 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C/c2ccc(C(=O)N3[C@@H](C(=O)OC)CC[C@@H](C)[C@@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169355767 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C\c2ccc(C(=O)N3[C@@H](C(=O)OC)CC[C@@H](C)[C@@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169355768 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C/c2ccc(C(=O)N3[C@@H](C(=O)OC)CC[C@@H](C)[C@@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000169355769 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355798 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355799 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355800 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355801 KK Annotated Mild O=C1NC[C@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169355803 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355809 KK Annotated Bother in-man CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355810 KK Annotated Bother in-man CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355811 KK Annotated Bother in-man CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169355812 KK Annotated Bother in-man CCCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169355881 KK Annotated Anodyne CCCCCCCCOC(=O)[C@H](CC(C)C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169355899 KK Annotated Mild CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169355900 KK Annotated Anodyne CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@]14C)[C@@H]32 ZINC000169355901 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169355928 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169355929 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000169355930 KK Annotated Bother C[C@@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3)c2S1(=O)=O ZINC000169355959 KK Annotated Anodyne O=C(N[C@H]1C/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169355974 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169356071 KK Annotated Anodyne CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](OC/C=C\C(=O)OCC)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169356100 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccc(F)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169356168 KK Annotated Anodyne CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N2)O4 ZINC000169356197 KK Annotated Bother CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169356198 KK Annotated Bother CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169356199 KK Annotated Bother CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169356200 KK Annotated Bother CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccccc5OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169356225 KK Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1CCCN[C@@H]1CCC[C@@H](C[C@@H]2CCC[C@@H](NCCCN3C(=O)c4cccc5cccc(c45)C3=O)C2)C1 ZINC000169356307 KK Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1CCCN[C@@H]1CCC[C@@H](C[C@H]2CCC[C@@H](NCCCN3C(=O)c4cccc5cccc(c45)C3=O)C2)C1 ZINC000169356308 KK Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1CCCN[C@H]1CCC[C@H](C[C@@H]2CCC[C@@H](NCCCN3C(=O)c4cccc5cccc(c45)C3=O)C2)C1 ZINC000169356310 KK Annotated Anodyne C[C@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@H](C)/C=C\C[C@]4(C)C=C(CO)[C@H](C[C@@H](C)O)C[C@]45OC(=O)C(=C5O)C(=O)[C@@]23C)C1 ZINC000169356316 KK Annotated Mild O=C1N[C@@H](c2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C\C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169356319 KK Annotated Anodyne C[N+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@@]%223C1)[C@@H]4[C@H]7c1c-%24c(c-%16c(c1-8)[C@H]%15[C@H]9%12)[C@@H]%23[C@H]%17%20 ZINC000169356379 KK Annotated Bother C[N+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@]%223C1)[C@@H]4[C@H]7c1c-%24c(c-%16c(c1-8)[C@H]%15[C@H]9%12)[C@@H]%23[C@H]%17%20 ZINC000169356380 KK Annotated Bother O=C(N[C@@H]1C/C=C/C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169356473 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169356508 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169356509 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccccc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1 ZINC000169356520 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)CCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169356521 KK Annotated Anodyne CC1=C[C@@H](OC(=O)CCC(=O)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=C\C1=C(C)C[C@@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169356526 KK Annotated Bother CC1=C[C@@H](OC(=O)CCC(=O)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=C\C1=C(C)C[C@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169356527 KK Annotated Bother CC1=C[C@@H](OC(=O)CCC(=O)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=C\C1=C(C)C[C@@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169356528 KK Annotated Bother CC1=C[C@@H](OC(=O)CCC(=O)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=C\C1=C(C)C[C@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000169356530 KK Annotated Bother CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)c5ccc(Cl)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169356548 KK Annotated Anodyne C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@@H]43)cc1CC2 ZINC000169356591 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169356623 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169356624 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169356625 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169356626 KK Annotated Mild COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(/C)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169356634 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169356635 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169356636 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169356637 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169356638 KK Annotated Anodyne COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169356707 KK Annotated Bother COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C/CCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1 ZINC000169356739 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccccc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169356751 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169356754 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169356755 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169356756 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169356757 KK Annotated Reactive Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@@]3(C[C@H]6CC[C@@H](O)CCCN6[C@@H]34)C5)nccc12 ZINC000169356759 KK Annotated Anodyne COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169356777 KK Annotated Bother COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169356779 KK Annotated Bother Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169356781 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@@]32C)C[C@]2(C)CC[C@H]3C4=C[C@@H]5O[C@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000169356810 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@@]32C)C[C@]2(C)CC[C@H]3C4=C[C@@H]5O[C@@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000169356811 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@@]32C)C[C@]2(C)CC[C@@H]3C4=C[C@@H]5O[C@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000169356812 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@@]32C)C[C@]2(C)CC[C@@H]3C4=C[C@@H]5O[C@@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000169356813 KK Annotated Anodyne C/C1=C/C=C/C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/CN(C)C)Cc2nc(cs2)[C@@H](C)C[C@@H](N)CC(=O)O[C@@H](C)C1 ZINC000169356842 KK Annotated Anodyne CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)[C@@H](C)C[C@@H](N)CC(=O)O[C@@H](C)C/C(C)=C/C=C/C(=O)O1)=C\CN(C)C ZINC000169356843 KK Annotated Anodyne COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169356844 KK Annotated Bother CCN1CCN(CCN2CCC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000169356859 KK Annotated Anodyne O=C(O)CCC(=O)O[C@@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169356860 KK Annotated Bother O=C(O)CCC(=O)O[C@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169356861 KK Annotated Bother O=C(O)CCC(=O)O[C@@H]1CC[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169356862 KK Annotated Bother O=C(O)CCC(=O)O[C@H]1CC[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169356863 KK Annotated Bother COc1ccc([C@H]2CC(=O)N[C@@H](C)C[C@@H](C)/C=C(/C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169356866 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)N[C@H](C)C[C@@H](C)/C=C(/C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000169356867 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccc(Cl)cc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169356871 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C\[C@@H](C)[C@H]1C/C(C)=C\C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169356888 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169356889 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C\[C@@H](C)[C@H]1C/C(C)=C\C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169356890 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169356892 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)c(OC)c1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000169356894 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)c(OC)c1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000169356895 KK Annotated Mild CC(C)CC[C@@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000169356896 KK Annotated Anodyne CC(C)CC[C@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000169356897 KK Annotated Anodyne COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169356899 KK Annotated Bother COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169356901 KK Annotated Bother COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169356902 KK Annotated Bother COc1cccc2oc3c4c(cc(OC)c3c(=O)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169356903 KK Annotated Bother COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000169356904 KK Annotated Bother C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@@]5(/C=C\CCCCCCCCCCC[C@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(COC(=O)CCCCCCCCCCCCCCC)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169356911 KK Annotated Mild C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@@]5(/C=C/CCCCCCCCCCC[C@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(COC(=O)CCCCCCCCCCCCCCC)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169356912 KK Annotated Mild C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@@]5(/C=C\CCCCCCCCCCC[C@@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(COC(=O)CCCCCCCCCCCCCCC)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169356913 KK Annotated Mild C=C(C)[C@@]12C[C@@H](C)[C@@]34O[C@@]5(/C=C/CCCCCCCCCCC[C@@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(COC(=O)CCCCCCCCCCCCCCC)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000169356915 KK Annotated Mild COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169356918 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169356919 KK Annotated Bother CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000169356933 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000169356934 KK Annotated Mild [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(CC/C=C/CCCCN[C@@H]21)C3 ZINC000169356935 KK Annotated Anodyne [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(CC/C=C\CCCCN[C@@H]21)C3 ZINC000169356936 KK Annotated Anodyne COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000169356937 KK Annotated Bother [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(CC/C=C/CCCCN[C@@H]21)C3 ZINC000169356938 KK Annotated Anodyne COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000169356939 KK Annotated Bother COc1ccc2oc3c4c(cc(OC)c3c(=O)c2c1)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169356940 KK Annotated Bother COc1ccc2oc3c4c(cc(OC)c3c(=O)c2c1)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169356941 KK Annotated Bother CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC/C=C/c3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169356970 KK Annotated Anodyne CCCCCCCCO[C@H]1O[C@@H]2COC(=O)CC/C=C\CCC(=O)O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000169356975 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169356986 KK Annotated Reactive C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169356991 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169356992 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169356993 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169356994 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(O)Oc7cc8c(cc7O[C@]56C)C(=O)C=C5[C@@]6(C)CC[C@@]7(C)CC[C@@](C)(C(=O)OC)C[C@H]7[C@]6(C)CC[C@]58C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000169356997 KK Annotated Mild CCCC[C@@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C\C(=O)O1 ZINC000169356999 KK Annotated Anodyne CCCC[C@@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000169357000 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C\C(=O)O1 ZINC000169357002 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000169357003 KK Annotated Anodyne CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000169357015 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357025 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357026 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357027 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357028 KK Annotated Mild COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@]2(O)C2(C[C@@H]3c3ccccc3)SCCCS2)cc1 ZINC000169357055 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C\[C@@H](OC)/C=C\c2nc(co2)C(=O)O1 ZINC000169357088 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C/C=C\C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C\[C@@H](OC)/C=C\c2nc(co2)C(=O)O1 ZINC000169357089 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C\C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C\[C@@H](OC)/C=C\c2nc(co2)C(=O)O1 ZINC000169357090 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C/C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C\[C@@H](OC)/C=C\c2nc(co2)C(=O)O1 ZINC000169357091 KK Annotated Anodyne CCCCCC[P@@](=O)(COc1ccc(CCN(C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc23)C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc23)cc1)OCCCC ZINC000169357114 KK Annotated Anodyne CCCCCC[P@](=O)(COc1ccc(CCN(C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc23)C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc23)cc1)OCCCC ZINC000169357115 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1 ZINC000169357122 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1 ZINC000169357124 KK Annotated Anodyne CCC/C=C\c1ccc(CN2[C@@H](CC(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000169357157 KK Annotated Anodyne CC(=C/C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C ZINC000169357159 KK Annotated Bother CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3 ZINC000169357161 KK Annotated Anodyne C[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H]6OC[C@@]5(CCC6(C)C)CC[C@]34C)C2(C)C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169357162 KK Annotated Anodyne COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)NCCCc2ccccc2)O1)OC ZINC000169357167 KK Annotated Anodyne CO[C@@H]1CC(=O)C[C@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]13[C@@H]([C@H]2%15)[C@@]61CC(=O)C[C@@H](OC)[C@]%16%191)[C@H]4[C@@H]5%10 ZINC000169357181 KK Annotated Bother CO[C@H]1CC(=O)C[C@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]13[C@@H]([C@H]2%15)[C@@]61CC(=O)C[C@@H](OC)[C@]%16%191)[C@H]4[C@@H]5%10 ZINC000169357182 KK Annotated Bother CO[C@@H]1CC(=O)C[C@@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]13[C@@H]([C@H]2%15)[C@@]61CC(=O)C[C@@H](OC)[C@]%16%191)[C@H]4[C@@H]5%10 ZINC000169357183 KK Annotated Bother CO[C@H]1CC(=O)C[C@@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]13[C@@H]([C@H]2%15)[C@@]61CC(=O)C[C@@H](OC)[C@]%16%191)[C@H]4[C@@H]5%10 ZINC000169357184 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357185 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357186 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357187 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357188 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169357191 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169357192 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169357193 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169357195 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169357199 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000169357200 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5/C=C/CCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000169357211 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000169357212 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@@H]5/C=C/CCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000169357213 KK Annotated Anodyne C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@H]3C2=O ZINC000169357235 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@@H]3c4cccn4C[C@H]32)cc1 ZINC000169357236 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@@H]3c4cccn4C[C@@H]32)cc1 ZINC000169357237 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@H]3c4cccn4C[C@@H]23)cc1 ZINC000169357238 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@H]3c4cccn4C[C@H]23)cc1 ZINC000169357239 KK Annotated Anodyne C=C1[C@@H](OC(=O)[C@@H]2O[C@@H](c3ccc(OC)cc3OC)N(C(=O)OC(C)(C)C)[C@H]2CC(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169357274 KK Annotated Mild C=C1[C@@H](OC(=O)[C@@H]2O[C@H](c3ccc(OC)cc3OC)N(C(=O)OC(C)(C)C)[C@H]2CC(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169357275 KK Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccc(C#N)cc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169357290 KK Annotated Mild CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357364 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357365 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357366 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357367 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357368 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357369 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357370 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169357371 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169357389 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169357390 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169357391 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169357392 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(F)cc3)[C@]23CC[C@]2(C3=O)[C@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169357407 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(F)cc3)[C@]23CC[C@@]2(C3=O)[C@@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169357408 KK Annotated Anodyne COc1cccc(C(=O)Oc2ccc(/C=C/C(=O)O[C@H]3C[C@H]4OC[C@@]4(OC(C)=O)[C@H]4[C@H](OCc5ccccc5)[C@]56OC(=O)O[C@H]5[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]34C)C6(C)C)cc2)c1 ZINC000169357410 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)c5ccc(OC)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169357412 KK Annotated Anodyne CO[C@@H]1/C(C)=C\C=C/[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(C(=O)O[C@@H](C)[C@@H](C)O)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C\C[C@@H](C)[C@@H](O)[C@@H]1O ZINC000169357415 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C\[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(C(=O)O[C@@H](C)[C@@H](C)O)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C\C[C@@H](C)[C@@H](O)[C@@H]1O ZINC000169357416 KK Annotated Anodyne CO[C@@H]1/C(C)=C\C=C\[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(C(=O)O[C@@H](C)[C@@H](C)O)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C\C[C@@H](C)[C@@H](O)[C@@H]1O ZINC000169357417 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/[C@@H](C)[C@@H]([C@@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(C(=O)O[C@@H](C)[C@@H](C)O)CC[C@@H](C)C[C@@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C\C[C@@H](C)[C@@H](O)[C@@H]1O ZINC000169357418 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@H]7/C=C/CCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000169357426 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@H]7C=CCCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000169357427 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@H]7/C=C/CCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000169357428 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169357429 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C/C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169357430 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C\C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169357431 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169357432 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@H]5/C=C/CCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000169357450 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@H]5C=CCCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000169357451 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C/CCCCN4CC[C@@H]2[C@]2(C[C@H]5/C=C/CCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000169357452 KK Annotated Anodyne CCSc1ccc2[nH]c3c(c2c1)CN1CC(CC)=C[C@@H](C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)CC=CN4CC[C@]21[C@@H]43 ZINC000169357456 KK Annotated Anodyne CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169357468 KK Annotated Mild CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C\C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169357469 KK Annotated Mild CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169357470 KK Annotated Mild CO/N=C1/C[C@]2(C[C@@H]3C[C@@H](C/C=C(/C)C[C@@H](C)/C=C/C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C ZINC000169357471 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C/CCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000169357479 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C\C[C@H](O)[C@@H]1C ZINC000169357480 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C ZINC000169357481 KK Annotated Anodyne Cc1c(O)nc2c3c(ccc2c1C)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169357492 KK Annotated Anodyne Cc1c(O)nc2c3c(ccc2c1C)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169357493 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357548 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357549 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357550 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357551 KK Annotated Anodyne C=C[C@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](/C=C3\c4[nH]c5ccccc5c4CN4CC[C@H]3/C(=C\C)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000169357582 KK Annotated Mild C=C[C@@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](/C=C3\c4[nH]c5ccccc5c4CN4CC[C@H]3/C(=C\C)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000169357583 KK Annotated Mild O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CC/C=C\CCCC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000169357596 KK Annotated Anodyne O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CC/C=C/CCCC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000169357597 KK Annotated Anodyne O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CC/C=C/CCCC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000169357598 KK Annotated Anodyne C1=C\CC[C@]23CN4CCCC/C=C/CC[C@@]5(O[C@H]5[C@@H](c5nccc6c5[nH]c5ccccc56)[C@@H]2CC4)[C@@H]3NCCCC/1 ZINC000169357607 KK Annotated Anodyne C1=C\CC[C@]23O[C@H]2[C@@H](c2nccc4c2[nH]c2ccccc24)[C@@H]2CCN(CCCC/1)C[C@@]21CC/C=C/CCCCN[C@H]13 ZINC000169357608 KK Annotated Anodyne C1=C/CC[C@]23CN4CCCC/C=C/CC[C@@]5(O[C@H]5[C@@H](c5nccc6c5[nH]c5ccccc56)[C@@H]2CC4)[C@@H]3NCCCC/1 ZINC000169357609 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](OC)/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169357617 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C/C=C\C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](OC)/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169357618 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C\C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](OC)/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169357619 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C/C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](OC)/C=C\C=C/c2nc(co2)C(=O)O1 ZINC000169357620 KK Annotated Anodyne CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@]3(C)[C@@](O)(C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)OC)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169357695 KK Annotated Anodyne C=CCNc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169357702 KK Annotated Mild COc1ccc(C(=O)Oc2ccc(/C=C/C(=O)O[C@H]3C[C@H]4OC[C@@]4(OC(C)=O)[C@H]4[C@H](OCc5ccccc5)[C@]56OC(=O)O[C@H]5[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]34C)C6(C)C)cc2)cc1 ZINC000169357723 KK Annotated Anodyne Oc1cccc2c1[nH]c1c([C@H]3[C@@H]4CCN5CCCC/C=C/CC[C@@]6(O[C@@H]36)[C@@H]3NCCCC/C=C\CC[C@]43C5)nccc12 ZINC000169357741 KK Annotated Anodyne Oc1cccc2c1[nH]c1c([C@H]3[C@@H]4CCN5CCCC/C=C\CC[C@@]6(O[C@@H]36)[C@@H]3NCCCC/C=C/CC[C@]43C5)nccc12 ZINC000169357742 KK Annotated Anodyne Oc1cccc2c1[nH]c1c([C@H]3[C@@H]4CCN5CCCC/C=C/CC[C@@]6(O[C@@H]36)[C@@H]3NCCCC/C=C/CC[C@]43C5)nccc12 ZINC000169357743 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)Cc3ccc(F)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169357745 KK Annotated Reactive COc1ccc(O[C@@H]2O[C@@H](C(=O)O[C@H]3C[C@H]4[C@@H](OC(C)=O)[C@@H]5[C@@H]6CN(C(C)=O)[C@@H]6CC[C@@]5(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1 ZINC000169357778 KK Annotated Anodyne COc1ccc(O[C@H]2O[C@@H](C(=O)O[C@H]3C[C@H]4[C@@H](OC(C)=O)[C@@H]5[C@@H]6CN(C(C)=O)[C@@H]6CC[C@@]5(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1 ZINC000169357779 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357800 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357801 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357802 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169357803 KK Annotated Mild CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169357813 KK Annotated Clean CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000169357814 KK Annotated Clean CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169357815 KK Annotated Clean COCCC/C(C)=C1\CO[C@@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@]1(C)CO)/C(C)=C\Cc1ccc2[nH]1 ZINC000169357824 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000169357826 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@]1(C)CO)/C(C)=C\Cc1ccc2[nH]1 ZINC000169357827 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000169357829 KK Annotated Anodyne C#Cc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169357837 KK Annotated Mild CO[C@H]1/C=C\C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)\C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O1 ZINC000169357838 KK Annotated Anodyne CO[C@H]1/C=C\C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)\C=C(/C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O1 ZINC000169357839 KK Annotated Anodyne CO[C@H]1/C=C\C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(/C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O1 ZINC000169357840 KK Annotated Anodyne CO[C@H]1/C=C\C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O1 ZINC000169357841 KK Annotated Anodyne CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](C6CCC6)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000169357849 KK Annotated Mild O=C(O)CO/N=C1\C=C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@H]%14[C@H]%13%10)[C@@]3(C1)c(c=5c%117)c%12%16 ZINC000169357857 KK Annotated Mild O=C(O)CO/N=C1\C=C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@H]%14[C@H]%13%10)[C@@]3(C1)c(c=5c%117)c%12%16 ZINC000169357858 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000169357876 KK Annotated Anodyne CCCC(=O)C[C@@H]1CC[C@@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169357887 KK Annotated Anodyne CCCC(=O)C[C@H]1CC[C@@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169357888 KK Annotated Anodyne CCCC(=O)C[C@@H]1CC[C@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169357889 KK Annotated Anodyne CCCC(=O)C[C@H]1CC[C@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169357890 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169357895 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169357896 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169357897 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccco4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169357898 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)/C=C/c4ccccc4)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000169357906 KK Annotated Anodyne Cc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c(C)c1 ZINC000169357926 KK Annotated Clean COc1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(NC(=O)Nc3ccc4c(O)c(/N=N/c5ccc(S(=O)(=O)O)cc5C)c(S(=O)(=O)O)cc4c3)ccc2c1O ZINC000169357930 KK Annotated Clean CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(-c5ccccc5)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169357931 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C\C[C@H](O)[C@@H]1C ZINC000169357962 KK Annotated Anodyne CC/C=C(\C)[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C ZINC000169357964 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)c5ccc([N+](=O)[O-])cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169357987 KK Annotated Bother C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)CCCCCCO)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169357994 KK Annotated Reactive COc1ccc([C@@H]2/C=C/CN(CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169357999 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)c5ccccc5Cl)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169358005 KK Annotated Anodyne O=C1CCCN2[C@H]3[C@]45CN6CCCC/C=C/CC[C@]3(C=C(c3nccc7c3[nH]c3c(O)cccc37)[C@H]4CC6)O[C@]2(CC1)C5 ZINC000169358026 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C/[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358034 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C/C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358035 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358036 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C/C=C/[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358039 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000169358067 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169358068 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169358069 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169358070 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N([C@@H](C(=O)Nc3cccc4ccccc34)c3ccccc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169358084 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N([C@@H](C(=O)Nc3cccc4ccccc34)c3ccccc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169358085 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N([C@H](C(=O)Nc3cccc4ccccc34)c3ccccc3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169358086 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169358099 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C\C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169358100 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C\C=C\C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169358101 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C\[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169358102 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358103 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358104 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358105 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358106 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358108 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358109 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358110 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358111 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358114 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358115 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358117 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358118 KK Annotated Mild CC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)c(OC)c1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000169358120 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(=O)c1ccc(OC)c(OC)c1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000169358121 KK Annotated Anodyne COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169358123 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169358124 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169358125 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169358126 KK Annotated Reactive CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(CNc9ccc(OC)cc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169358145 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C(C)=O)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169358161 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000169358164 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl ZINC000169358166 KK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)[C@@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000169358171 KK Annotated Bother CC(C)[C@@H]1[C@H](O)C[C@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000169358172 KK Annotated Bother CC(C)[C@@H]1C[C@H](O)[C@@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000169358173 KK Annotated Bother CC(C)[C@@H]1[C@@H](O)C[C@H](C(C)C)C23c4c5c6c7c8c=5c5c9c%10c(c%11c%12c%13c%14c=%11c2c2c4c4c6c6c%11c7c7c%15c8c9c8c9c%10c%12c%10c%12c%13c%13c%16c%14c2c2c4c6c4c(c2%16)c2c%13c%12c6c(c9%10)c(c8%15)c8c7c%11c4c2c86)C513 ZINC000169358174 KK Annotated Bother CC1(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169358184 KK Annotated Clean CC1(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169358185 KK Annotated Clean CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccccc9C(F)(F)F)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169358197 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000169358215 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000169358216 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000169358217 KK Annotated Anodyne CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@@H](CC)[C@]13CC ZINC000169358247 KK Annotated Bother C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)COC(=O)Nc1ccc(OC)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169358289 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)COC(=O)Nc1ccc(OC)cc1)[C@@H]3OC ZINC000169358290 KK Annotated Mild C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169358399 KK Annotated Mild C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169358401 KK Annotated Mild C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169358403 KK Annotated Mild C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169358404 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358443 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358444 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358445 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358447 KK Annotated Mild CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CN4CCOCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@](C)(O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000169358472 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](Cl)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169358474 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](Cl)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169358475 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169358476 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169358477 KK Annotated Reactive CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000169358482 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OS(=O)(=O)c4ccc(C)cc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358491 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OS(=O)(=O)c4ccc(C)cc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358492 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OS(=O)(=O)c4ccc(C)cc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358493 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OS(=O)(=O)c4ccc(C)cc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169358494 KK Annotated Mild Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@@]4(C6)C[C@@]67CC[C@@H](CCCN6[C@@H]54)O7)nccc3c2c1 ZINC000169358515 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1C/C=C\CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169358519 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1C/C=C/CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169358520 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1C/C=C\CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169358521 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1C/C=C/CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169358522 KK Annotated Anodyne Cc1cc(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@@H]3CC(C)(C)/C=C\C[C@@]1(C)O2 ZINC000169358528 KK Annotated Anodyne CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358536 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358537 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358538 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358539 KK Annotated Mild CC(=O)O/C(C)=C1\C[C@@H](OC(C)=O)CCCN2C1=C(C(C)=O)[C@@]13CN4CCCC/C=C/CCC(=C[C@@H](c5nccc6c5[nH]c5c(OC(C)=O)cccc56)[C@H]1CC4)[C@@H]23 ZINC000169358548 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169358554 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169358555 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169358556 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169358557 KK Annotated Reactive CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccccc5OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169358578 KK Annotated Anodyne CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358593 KK Annotated Mild CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358594 KK Annotated Mild CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358595 KK Annotated Mild CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169358596 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)c3ccccc3NC2=O)cc1Cl ZINC000169358601 KK Annotated Anodyne [O-][N+]12CCCC/C=C\CC[C@]3(O)C=C(c4nccc5c4[nH]c4ccccc45)[C@H](CC1)[C@]1(C[C@@H]4/C=C/CCCC[N+]4([O-])[C@@H]31)C2 ZINC000169358646 KK Annotated Bother [O-][N+]12CCCC/C=C/CC[C@]3(O)C=C(c4nccc5c4[nH]c4ccccc45)[C@H](CC1)[C@]1(C[C@@H]4C=CCCCC[N+]4([O-])[C@@H]31)C2 ZINC000169358647 KK Annotated Bother [O-][N+]12CCCC/C=C/CC[C@]3(O)C=C(c4nccc5c4[nH]c4ccccc45)[C@H](CC1)[C@]1(C[C@@H]4/C=C/CCCC[N+]4([O-])[C@@H]31)C2 ZINC000169358648 KK Annotated Bother CCCCCCCCCCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169358653 KK Annotated Mild CCCCCCCCCCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169358654 KK Annotated Mild CCCCCCCCCCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169358655 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O6)C5=O)CC2)c1 ZINC000169358656 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O6)C5=O)CC2)c1 ZINC000169358657 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O6)C5=O)CC2)c1 ZINC000169358658 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O6)C5=O)CC2)c1 ZINC000169358659 KK Annotated Mild CCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169358662 KK Annotated Anodyne CCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169358663 KK Annotated Anodyne CCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169358664 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccsc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169358677 KK Annotated Anodyne CS/C(=N\CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N1CCO[C@@H](CCN)C1)NC#N ZINC000169358681 KK Annotated Mild CS/C(=N\CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N1CCO[C@@H](CCN)C1)NC#N ZINC000169358682 KK Annotated Mild CCCCc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169358690 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C(=O)OC(C)C)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169358703 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169358719 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169358720 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169358721 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000169358722 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@@]2(CC=C(C)C)C1=O ZINC000169358753 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@@]2(CC=C(C)C)C1=O ZINC000169358754 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@@]2(CC=C(C)C)C1=O ZINC000169358755 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@@]2(CC=C(C)C)C1=O ZINC000169358756 KK Annotated Mild CC(=O)OC/C1=C\[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@@H]2[C@H](CC1)C2(C)C ZINC000169358864 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](OCCOC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000169358878 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358913 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358914 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358915 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169358916 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358917 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COC(=O)C(C)C)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000169358931 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COC(=O)C(C)C)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000169358933 KK Annotated Anodyne COc1ccc(/C=C/[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000169358936 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358945 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358946 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358947 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169358948 KK Annotated Mild CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C/[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358949 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C/C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358950 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358951 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C/C=C/[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000169358952 KK Annotated Anodyne C=C1C[C@@H](C(C)=O)CCCNC(=O)C[C@@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@@H](C)[C@@H](CCCCN)C(=O)C[C@@H](Cc2ccccc2)C(=O)[C@@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000169358983 KK Annotated Mild in-man C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@@H](C)[C@@H](CCCCN)C(=O)C[C@@H](Cc2ccccc2)C(=O)[C@@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000169358984 KK Annotated Mild in-man C=C1C[C@@H](C(C)=O)CCCNC(=O)C[C@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@@H](C)[C@@H](CCCCN)C(=O)C[C@@H](Cc2ccccc2)C(=O)[C@@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000169358985 KK Annotated Mild in-man C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@@H](C)[C@@H](CCCCN)C(=O)C[C@@H](Cc2ccccc2)C(=O)[C@@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000169358986 KK Annotated Mild in-man CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359010 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359011 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359012 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359013 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000169359018 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000169359020 KK 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)Cc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000169359022 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000169359087 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000169359088 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000169359089 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000169359090 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000169359104 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000169359105 KK 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)Cc2ccc(N(C)C)cc2)[C@@]13C(=O)O ZINC000169359106 KK Annotated Mild Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169359113 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169359133 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169359140 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169359150 KK Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359156 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359157 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359158 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359159 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169359177 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169359178 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169359179 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169359180 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169359188 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169359189 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N3)O5)CC1 ZINC000169359190 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N3)O5)CC1 ZINC000169359191 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000169359192 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(\C)C(=O)N3)O5)CC1 ZINC000169359193 KK Annotated Anodyne CO[C@@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359200 KK Annotated Anodyne CO[C@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359201 KK Annotated Anodyne CO[C@@H]1CCO[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359202 KK Annotated Anodyne CO[C@H]1CCO[C@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359203 KK Annotated Anodyne O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O ZINC000169359209 KK Annotated Mild CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359210 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359211 KK Annotated Anodyne COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000169359238 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000169359239 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000169359240 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000169359254 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000169359255 KK 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)Cc2ccc(Br)o2)[C@@]13C(=O)O ZINC000169359256 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359266 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359267 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359268 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359269 KK Annotated Anodyne CC[C@@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359283 KK Annotated Anodyne CC[C@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359284 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](N3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169359285 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](N3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169359286 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](N3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169359287 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](N3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169359288 KK Annotated Anodyne C[C@H]1CC[C@H]2[C@@](Cc3cccc(F)c3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000169359289 KK Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](C[C@@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 ZINC000169359290 KK Annotated Reactive C[C@H]1CC[C@H]2[C@@](Cc3cccc(F)c3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000169359291 KK Annotated Reactive C[C@H]1CC[C@H]2[C@@H](C[C@@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 ZINC000169359292 KK Annotated Reactive CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000169359317 KK 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)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000169359318 KK 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)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]13C(=O)O ZINC000169359319 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169359336 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169359337 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169359338 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169359353 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169359354 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169359355 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169359356 KK Annotated Anodyne C[C@@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169359357 KK Annotated Mild C[C@]1(c2ccccc2)CC(=O)C([C@@H]2C[C@@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169359358 KK Annotated Mild C[C@@]1(c2ccccc2)CC(=O)C([C@H]2C[C@@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169359359 KK Annotated Mild C[C@]1(c2ccccc2)CC(=O)C([C@H]2C[C@@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)=C(O)O1 ZINC000169359360 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359364 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359365 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359366 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359367 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169359368 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169359369 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169359371 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169359372 KK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000169359374 KK Annotated Anodyne CC(=O)Oc1ccc([C@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000169359375 KK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000169359376 KK Annotated Anodyne CC(=O)Oc1ccc([C@H]2Oc3cc(OC(C)=O)cc(OC(C)=O)c3C(=O)[C@H]2c2c(OC(C)=O)cc(OC(C)=O)c3c2O[C@@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)CC3=O)cc1 ZINC000169359377 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359383 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359384 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359385 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359386 KK Annotated Mild CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2c(c6C)c1=O)C1=CC=C(C(=O)OC)[C@@H](C(=O)OC)[C@]15C)c(CC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000169359396 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N/C(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359483 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N/C(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359484 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N\C(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359485 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N\C(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169359486 KK Annotated Clean C[C@H]1C/C=C\CCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000169359487 KK Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000169359488 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359496 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359498 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359500 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359501 KK Annotated Bother C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)COC(=O)Nc1ccccc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169359541 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)COC(=O)Nc1ccccc1)[C@@H]3OC ZINC000169359542 KK Annotated Mild COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C[C@H]3OC(C)(C)O[C@@H]3[C@@H]3COC(C)(C)O3)c2c1 ZINC000169359568 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C[C@H]3OC(C)(C)O[C@H]3[C@@H]3COC(C)(C)O3)c2c1 ZINC000169359570 KK Annotated Clean CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169359611 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@@H]3C[C@@H](O)C[C@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)O3 ZINC000169359657 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C\C(C)=C/[C@@H]3C[C@@H](O)C[C@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)O3 ZINC000169359658 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@@H]3C[C@@H](O)C[C@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)O3 ZINC000169359660 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@@H]3C[C@@H](O)C[C@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)O3 ZINC000169359661 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000169359721 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000169359722 KK Annotated Mild CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169359734 KK Annotated Anodyne CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169359735 KK Annotated Anodyne CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169359736 KK Annotated Anodyne CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169359737 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@@H](N)CO)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000169359750 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@@H](N)CO)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000169359752 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169359767 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccccc3)=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169359768 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3/C=CC2=N3)cc1 ZINC000169359769 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169359786 KK Annotated Anodyne Cc1coc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359795 KK Annotated Anodyne Cc1coc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169359796 KK Annotated Anodyne O=C(O[C@@H]([C@@H](O)CO)[C@@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000169359820 KK Annotated Anodyne O=C(O[C@@H]([C@@H](O)CO)[C@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000169359821 KK Annotated Anodyne O=C(O[C@@H]([C@@H](O)CO)[C@@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000169359822 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359830 KK Annotated Anodyne CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]67)cc45)=C(O)C3=O)c[nH]c12 ZINC000169359831 KK Annotated Mild CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@H]6SC[C@@H]7NC(=O)N[C@H]76)cc45)=C(O)C3=O)c[nH]c12 ZINC000169359832 KK Annotated Mild CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359833 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359914 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359915 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359916 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169359917 KK Annotated Bother C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](C(C)=O)[C@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169359923 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](C(C)=O)[C@@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169359924 KK Annotated Anodyne Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169359931 KK Annotated Anodyne Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169359932 KK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169359992 KK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169359993 KK Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169359998 KK Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169359999 KK Annotated Anodyne CCN(CC)Cc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000169360039 KK Annotated Anodyne COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@H]2[C@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@@H]68 ZINC000169360047 KK Annotated Bother COCCOCCOCCN1C[C@@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@H]2[C@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@@H]68 ZINC000169360048 KK Annotated Bother CNc1nc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3ccc(OC)cc3n2)cs1 ZINC000169360075 KK Annotated Anodyne CCC1(CC)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169360079 KK Annotated Anodyne CCC1(CC)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169360080 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360117 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360118 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360119 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360120 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360122 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360123 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360124 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360125 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000169360142 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000169360143 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000169360144 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000169360145 KK Annotated Mild O[C@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169360184 KK Annotated Anodyne O[C@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000169360185 KK Annotated Anodyne O[C@]12C=C(c3[nH]ccc4c5ccccc5nc3-4)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000169360186 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169360188 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)NCCOCCOCCN)c1C)/C=c1/[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCOCCOCCN)/C=C1/N=C(C2)C(C)=C1CC ZINC000169360189 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)NCCOCCOCCN)c1C)/C=c1\[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCOCCOCCN)/C=C1/N=C(C2)C(C)=C1CC ZINC000169360190 KK Annotated Anodyne CCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169360224 KK Annotated Mild CO[C@H]1CN(Cc2ccc(C)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000169360229 KK Annotated Mild CO[C@H]1CN(Cc2ccc(C)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000169360230 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(Oc4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169360247 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000169360256 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000169360258 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169360263 KK Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)/C=C/c1ccc3ccccc3c1)[C@@]1(C)C(=O)[C@H](OC(=O)/C=C/c3ccc4ccccc4c3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OCc4ccccc4)[C@@H]12)C3(C)C ZINC000169360287 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169360303 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000169360306 KK Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2 ZINC000169360320 KK Annotated Mild CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(F)cc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169360321 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(F)cc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169360322 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](F)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169360339 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](F)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169360340 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](F)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169360341 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](F)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169360342 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360362 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360363 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360364 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360365 KK Annotated Bother C/N=C(\S)NCCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N1CCO[C@@H](CCN)C1 ZINC000169360396 KK Annotated Mild C/N=C(\S)NCCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N1CCO[C@@H](CCN)C1 ZINC000169360397 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@@H](N)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000169360454 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](N)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000169360455 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@H](N)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000169360456 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCC5CC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169360477 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H]2/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O2)[C@@H]1C ZINC000169360514 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H]2/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O2)[C@@H]1C ZINC000169360515 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H]2/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O2)[C@@H]1C ZINC000169360517 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H]2/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O2)[C@@H]1C ZINC000169360518 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360527 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360528 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360529 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360530 KK Annotated Bother CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000169360544 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000169360545 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3CC/C(C)=C\[C@@H]12 ZINC000169360592 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3CC/C(C)=C/[C@@H]12 ZINC000169360593 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360597 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360598 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360599 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360600 KK Annotated Bother CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)[C@@H]1c1ccccc1 ZINC000169360610 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)[C@@H]1c1ccccc1 ZINC000169360611 KK Annotated Anodyne CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000169360612 KK Annotated Anodyne CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000169360613 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360631 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360632 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360633 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169360635 KK Annotated Mild CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169360657 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169360658 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169360659 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O4)C3=O ZINC000169360660 KK Annotated Anodyne C=C1[C@H](OC[C@@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2[C@H]1OC(C)=O ZINC000169360701 KK Annotated Mild C=C1[C@H](OC[C@@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000169360702 KK Annotated Mild C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000169360767 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169360777 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169360779 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C\[C@H](OC)C[C@H](C)C/C=C/1C ZINC000169360783 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C/1C ZINC000169360784 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C\[C@H](OC)C[C@H](C)C/C=C\1C ZINC000169360785 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C\1C ZINC000169360786 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@](C)(O)[C@@H](Cl)CC[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]12 ZINC000169360831 KK Annotated Reactive CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OC5CCC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169360848 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCCC2)C[C@@H](C)C(=O)/C=C\C(C)=C/[C@@H]1C ZINC000169360861 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C\[C@@H]1C ZINC000169360862 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCCC2)C[C@@H](C)C(=O)/C=C\C(C)=C\[C@@H]1C ZINC000169360863 KK Annotated Mild CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1C(F)(F)F ZINC000169360901 KK Annotated Anodyne CCC1=C[C@H]2CN(C1)Cc1c([nH]c3ccc(C(C)=O)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)CC=CN5CC[C@]31[C@@H]54)C2 ZINC000169360922 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@]1(C)O)O2 ZINC000169360923 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@]1(C)O)O2 ZINC000169360925 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@]1(C)O)O2 ZINC000169360927 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@@]1(C)O)O2 ZINC000169360928 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(/C)[C@@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000169360939 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(/C)[C@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000169360940 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169360944 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169360945 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169360947 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169360948 KK Annotated Mild CC(=O)OC[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@H]1OC(C)=O)C2(C)C ZINC000169360992 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000169361001 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000169361002 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000169361003 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000169361004 KK Annotated Mild C[C@H]1CCCCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000169361025 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361049 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361050 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361051 KK Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(OC)cc2)C[C@H]3c2ccc(OC)cc2)cc1 ZINC000169361082 KK Annotated Mild COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000169361083 KK Annotated Mild COc1ccc([C@H]2C[C@H](c3ccc(OC)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000169361084 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCCCC(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000169361085 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169361089 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169361090 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169361091 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169361092 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361136 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361137 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361138 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361139 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CCC[C@@H]4CCCC[C@H]43)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000169361140 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@H]3CCC[C@@H]4CCCC[C@H]43)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000169361141 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CCC[C@H]4CCCC[C@@H]34)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000169361142 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@H]3CCC[C@H]4CCCC[C@H]43)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000169361143 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccc(Cl)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169361145 KK Annotated Anodyne CC[C@@H]1C(C)=C[C@@H]2/C=C\C[C@H](C)/C=C(\C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169361157 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169361158 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C\C[C@H](C)/C=C(/C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169361159 KK Annotated Mild CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(/C)CC/C=C\C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000169361160 KK Annotated Mild CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C6CCC6)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000169361161 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)c5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169361173 KK Annotated Anodyne CC1(C)Oc2ccc3cc(C(Br)Br)c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169361184 KK Annotated Reactive CC1(C)Oc2ccc3cc(C(Br)Br)c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169361186 KK Annotated Reactive CC1(C)Oc2ccc3cc(C(Br)Br)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169361187 KK Annotated Reactive CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCCBr)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169361188 KK Annotated Reactive CC1(C)Oc2ccc3cc(C(Br)Br)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169361189 KK Annotated Reactive CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc([C@@H]6C[C@@H]7[C@H](CC)CN(C)[C@H](Cc8c6[nH]c6ccccc86)[C@H]7C(=O)OC)c(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000169361197 KK Annotated Anodyne CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc([C@@H]6C[C@@H]7[C@H](CC)CN(C)[C@H](Cc8c6[nH]c6ccccc86)[C@H]7C(=O)OC)ccc5c4CCN(C2)[C@@H]13 ZINC000169361198 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361205 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361206 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361207 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361208 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361218 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361219 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361220 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361221 KK Annotated Bother CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361252 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361253 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361254 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361255 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169361265 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169361266 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169361267 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000169361268 KK Annotated Mild CCCC[C@@H]1C[C@H]([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)O[C@H]1CN1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 ZINC000169361280 KK Annotated Mild CCCC[C@@H]1C[C@H]([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)O[C@H]1CN1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 ZINC000169361282 KK Annotated Mild CCCC[C@@H]1C[C@H]([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)O[C@H]1CN1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 ZINC000169361283 KK Annotated Mild CCOC(=O)c1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169361285 KK Annotated Anodyne CCC[C@H](C/C(C)=C/[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@H](OC(C)=O)CC/C(C)=C\CCC[C@@H](O)C[C@H](O)[C@@H]1C)OC(C)=O ZINC000169361290 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(OC(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169361381 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(N9CCCC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169361386 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)c5ccc(Cl)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169361389 KK Annotated Anodyne C/C=C/[C@H](O)C[C@@H]1CC[C@@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169361420 KK Annotated Anodyne C/C=C/[C@H](O)C[C@H]1CC[C@@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169361421 KK Annotated Anodyne C/C=C/[C@H](O)C[C@@H]1CC[C@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169361422 KK Annotated Anodyne C/C=C/[C@H](O)C[C@H]1CC[C@H](C)[C@@H](CC(=O)NC[C@@H](O)[C@@H](C)C(=O)NCCC[C@@H]2O[C@@]3(CCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000169361423 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361435 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361436 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361438 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361439 KK Annotated Reactive CO[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000169361475 KK Annotated Mild CCCc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169361518 KK Annotated Anodyne CCCc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169361519 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361552 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361553 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361554 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169361555 KK Annotated Anodyne COc1c(Cl)cc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169361576 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361606 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361609 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361611 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361613 KK Annotated Reactive CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361614 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361615 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361616 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169361617 KK Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)C(Cl)Cl)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169361636 KK Annotated Reactive C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CSc1ccc(Cl)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169361638 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CSc1ccc(Cl)cc1)[C@@H]3OC ZINC000169361639 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169361655 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169361656 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169361657 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000169361658 KK Annotated Mild COc1c(Cl)cc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000169361684 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)/C=C(C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361699 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)\C=C(C)\C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361700 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)/C=C(C)\C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361701 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)\C=C(C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169361702 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O5)CC1 ZINC000169361709 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O5)CC1 ZINC000169361710 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O5)CC1 ZINC000169361711 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O5)CC1 ZINC000169361712 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361722 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361724 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361726 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361728 KK Annotated Reactive O=S(=O)(c1ccccc1)[C@@H]1C[C@@]2(c3ccccc3)N[C@@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169361733 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C[C@]2(c3ccccc3)N[C@@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169361735 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)N[C@@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000169361736 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)C/C=C\[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169361740 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C\[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169361741 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)C/C=C\[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169361742 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000169361743 KK Annotated Anodyne CC(=O)O[C@@H]1C=C([C@H]2O[C@H]3O[C@H](O[C@H]4C5=C(C(=O)OC5)[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H]4OC(C)=O)C4=C[C@@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@]43O2)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000169361755 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)COC(=O)Nc1ccc(Cl)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169361761 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)COC(=O)Nc1ccc(Cl)cc1)[C@@H]3OC ZINC000169361762 KK Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C(=O)C9CC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169361787 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)CCC(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169361788 KK Annotated Anodyne CC1(C)Oc2ccc3c4c(c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)CCCC4 ZINC000169361817 KK Annotated Anodyne CC1(C)Oc2ccc3c4c(c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)CCCC4 ZINC000169361818 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCC/C=C\COc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169361826 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCC/C=C/COc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169361827 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C\C(C)=C/[C@@H]1CO ZINC000169361833 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C\[C@@H]1CO ZINC000169361834 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C\C(C)=C\[C@@H]1CO ZINC000169361835 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169361842 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169361844 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169361846 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169361848 KK Annotated Reactive COc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169361877 KK Annotated Anodyne COc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169361878 KK Annotated Anodyne COc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169361879 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H](O)C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](CC/C(C)=C\[C@H]12)O3 ZINC000169361880 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CC)c1CC)/C=c1\[nH]/c(c(C)c1CC)=C/C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2 ZINC000169361892 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CC)c1CC)/C=c1\[nH]/c(c(C)c1CC)=C\C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2 ZINC000169361894 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CC)c1CC)/C=c1/[nH]/c(c(C)c1CC)=C/C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2 ZINC000169361896 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CC)c1CC)/C=c1/[nH]/c(c(C)c1CC)=C\C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2 ZINC000169361897 KK Annotated Anodyne COC(=O)c1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000169361903 KK Annotated Reactive C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000169361986 KK Annotated Mild C=C[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000169361987 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCCN(NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3ccccc3)nc2c1 ZINC000169361993 KK Annotated Anodyne CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C\[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1 ZINC000169362019 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Br)cc7)cccc56)[C@H]1CC4)[C@H]23 ZINC000169362063 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccccc3Cl)[C@@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169362146 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccccc3Cl)[C@H]2S[C@@H]1/C=C/c1ccccc1 ZINC000169362147 KK Annotated Anodyne CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169362154 KK Annotated Anodyne CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169362155 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C\C(C)=C/[C@@H]1CO ZINC000169362156 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C/C(C)=C\[C@@H]1CO ZINC000169362157 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C\C(C)=C\[C@@H]1CO ZINC000169362158 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl ZINC000169362165 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169362179 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccc(OC)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169362181 KK Annotated Anodyne O=C1/C(=N\c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)C=C(Nc2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c2ccccc21 ZINC000169362209 KK Annotated Mild O=C1/C(=N\c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=C(Nc2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c2ccccc21 ZINC000169362210 KK Annotated Mild O=C(N[C@@H]1C/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000169362254 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](N)CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000169362269 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](N)CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000169362270 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362286 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362287 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362288 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362289 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362290 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362291 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362292 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169362293 KK Annotated Mild CCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169362298 KK Annotated Anodyne CCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169362299 KK Annotated Anodyne CCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169362300 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@H]7OC[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3 ZINC000169362333 KK Annotated Anodyne COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1[C@H](O)N3C(=O)OCc1ccc([N+](=O)[O-])cc1)N(C(=O)OCc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@@H]1CCCN1C2=O ZINC000169362353 KK Annotated Bother CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169362371 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169362372 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169362373 KK Annotated Anodyne CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OCc3ccccc3)[C@]3(O)C[C@@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C ZINC000169362375 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362380 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362381 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362382 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169362398 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169362399 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169362400 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)NCC(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169362408 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)Oc5ccccc5OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169362409 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000169362456 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000169362457 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000169362458 KK Annotated Anodyne CCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169362459 KK Annotated Anodyne CCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169362460 KK Annotated Anodyne CCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169362461 KK Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)/C=C/c1ccc3ccccc3c1)[C@@]1(C)C(=O)[C@H](OC(=O)/C=C/c3ccc4ccccc4c3)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C ZINC000169362477 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2O[C@H](COC(=O)CCC(=O)[C@@H](OC(C)=O)CCCCC[C@H](CCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000169362526 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)NC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169362546 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)NC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169362547 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)NC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169362548 KK Annotated Anodyne CCSc1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@](O)(CC)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)CC=CN4CC[C@]21[C@@H]43 ZINC000169362552 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3 ZINC000169362570 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3=O ZINC000169362571 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169362582 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169362583 KK Annotated Anodyne CO[C@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)CCCC(=O)[C@H]1C ZINC000169362584 KK Annotated Anodyne CO[C@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)CCCC(=O)[C@H]1C ZINC000169362585 KK Annotated Anodyne COc1ccccc1-c1cc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)on1 ZINC000169362630 KK Annotated Mild COc1ccccc1-c1cc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)on1 ZINC000169362631 KK Annotated Mild COc1ccccc1-c1cc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)on1 ZINC000169362632 KK Annotated Mild COc1ccccc1-c1cc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C\O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)on1 ZINC000169362633 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000169362634 KK Annotated Anodyne COc1ccc2c(O[C@H]3C[C@@H]4C(=O)N(NC(=O)OC(C)(C)C)CCCCCC/C=C\[C@@H]5C[C@@]5(C(=O)O)NC(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000169362635 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cccc3ccccc23)N[C@@H](c2cccc3ccccc23)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362679 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc3ccccc23)N[C@@H](c2cccc3ccccc23)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362680 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)N[C@@H](c2cccc3ccccc23)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362681 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](c2cccc3ccccc23)N[C@@H](c2cccc3ccccc23)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000169362682 KK Annotated Anodyne CC[C@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)NCCO ZINC000169362715 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\[C@@H](O)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000169362716 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\[C@H](O)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000169362717 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H]1C)C4=O ZINC000169362731 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H]1C)C4=O ZINC000169362732 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H]1C)C4=O ZINC000169362733 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H]1C)C4=O ZINC000169362734 KK Annotated Mild CC(=O)O[C@@]1([C@@H]2/C(C)=C(\O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(Oc5ccccc5)cc4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000169362744 KK Annotated Mild CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(SC)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169362771 KK Annotated Anodyne CCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169362781 KK Annotated Mild CCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169362783 KK Annotated Mild CCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169362784 KK Annotated Mild CCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169362785 KK Annotated Mild C/C=C1/CN2CC[C@@]34c5ccccc5N5[C@H]([C@H]6[C@@H]7N(C(C)=O)c8ccccc8[C@@]78CCN7C/C(=C/C)[C@@H]6C[C@H]78)OC=C([C@H]1C[C@H]23)[C@H]54 ZINC000169362790 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5[C@@H]([C@H]6[C@@H]7N(C(C)=O)c8ccccc8[C@@]78CCN7C/C(=C/C)[C@@H]6C[C@H]78)OC=C([C@H]1C[C@H]23)[C@H]54 ZINC000169362791 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)N2CCC(NCc3ccccc3)CC2)[C@@H]1C)C4=O ZINC000169362795 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)N2CCC(NCc3ccccc3)CC2)[C@@H]1C)C4=O ZINC000169362797 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)N2CCC(NCc3ccccc3)CC2)[C@@H]1C)C4=O ZINC000169362798 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)N2CCC(NCc3ccccc3)CC2)[C@@H]1C)C4=O ZINC000169362799 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000169362811 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@@H](CC=C(C)C)C(C)(C)[C@@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000169362812 KK Annotated Mild C=C(C)[C@@H]1CC[C@H]2[C@@H](CC=C(C)C)C(C)(C)[C@@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000169362813 KK Annotated Mild CN1CCc2c([nH]c3ccccc23)[C@H]1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169362826 KK Annotated Anodyne CN1CCc2c([nH]c3ccccc23)[C@H]1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000169362827 KK Annotated Anodyne CN1CCc2c([nH]c3ccccc23)[C@H]1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169362828 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@@H](O)[C@@H](C)CCC(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169362836 KK Annotated Anodyne [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169362850 KK Annotated Anodyne [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000169362851 KK Annotated Anodyne [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169362852 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169362853 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169362854 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169362855 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169362857 KK Annotated Anodyne N/N=C1/CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@@H]1CC4)[C@H]23 ZINC000169362859 KK Annotated Mild CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(Cl)cccc5[C@@H](Nc5ccccc5Cl)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169362863 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5c(Cl)cccc5[C@@H](Nc5ccccc5Cl)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169362864 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(Cl)cccc5[C@H](Nc5ccccc5Cl)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169362865 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5c(Cl)cccc5[C@H](Nc5ccccc5Cl)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169362866 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1 ZINC000169362875 KK Annotated Anodyne CC(C)CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169362901 KK Annotated Anodyne CC(C)CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169362902 KK Annotated Anodyne CC(C)CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169362903 KK Annotated Anodyne COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169362918 KK Annotated Bother COCCOCCOC[C@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169362919 KK Annotated Bother COCCOCCOC[C@@H]1[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169362920 KK Annotated Bother COCCOCCOC[C@H]1[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000169362922 KK Annotated Bother COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000169362938 KK Annotated Anodyne CC(=C/C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C ZINC000169362982 KK Annotated Bother COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000169363001 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCN(NC(=O)OC(C)(C)C)C(=O)[C@@H]4C3)cc(-c3ccccc3)nc2c1 ZINC000169363007 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(/C)[C@@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000169363018 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(/C)[C@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000169363019 KK Annotated Mild CN1C(c2ccc(OCc3cc(N4CCCC4=O)ccc3N3CCOCC3)cc2)=C(C2CCCCC2)[C@@H]2SC(C(=O)O)=C[C@@H]21 ZINC000169363104 KK Annotated Anodyne CC(C)[C@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000169363107 KK Annotated Mild CC(C)[C@]12C=C[C@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000169363109 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1F ZINC000169363166 KK Annotated Anodyne C=CC1=C(C)/C2=C\c3[nH]c(c(C)c3C=C)/C=c3\[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C/C3=N[C@@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000169363217 KK Annotated Anodyne C=CC1=C(C)/C2=C/c3[nH]c(c(C)c3C=C)/C=c3\[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C/C3=N[C@@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000169363218 KK Annotated Anodyne C=CC1=C(C)/C2=C\c3[nH]c(c(C)c3C=C)/C=c3\[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C\C3=N[C@@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000169363219 KK Annotated Anodyne C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169363251 KK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169363252 KK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169363253 KK Annotated Reactive Cc1cc(=O)oc2c3c(ccc12)CC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169363254 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)CC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169363255 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(C[C@@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169363293 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@@](O)(C[C@@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169363294 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@H]3[C@@](O)(C[C@@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000169363295 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2([C@@H](C)OC(C)=O)COCC=C[C@H]2[C@]2(C)CC[C@H]3[C@@](O)(C[C@@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)[C@H]12 ZINC000169363296 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5ccccc5)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363304 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5ccccc5)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363306 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5ccccc5)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363307 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5ccccc5)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363308 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5cnc6ccccc6c5)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363315 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5cnc6ccccc6c5)CC3)CNC2=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363316 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5cnc6ccccc6c5)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363317 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5cnc6ccccc6c5)CC3)CNC2=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169363318 KK Annotated Mild CO[C@@H]1/C(C)=C\C=C/[C@H](C)[C@@H](c2csc([C@@H](O)CC(C)C)n2)OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@@H]1C ZINC000169363321 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C\[C@H](C)[C@@H](c2csc([C@@H](O)CC(C)C)n2)OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@@H]1C ZINC000169363322 KK Annotated Anodyne CO[C@@H]1/C(C)=C\C=C\[C@H](C)[C@@H](c2csc([C@@H](O)CC(C)C)n2)OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@@H]1C ZINC000169363323 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@@H](c2csc([C@@H](O)CC(C)C)n2)OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@@H]1C ZINC000169363324 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C\[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169363344 KK Annotated Bother CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C\[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169363345 KK Annotated Bother CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C/[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169363346 KK Annotated Bother CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)/C=C(C)/C=C(C)/C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169363347 KK Annotated Bother CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(OC(=O)c4cc5ccccc5[nH]4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169363348 KK Annotated Anodyne Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169363351 KK Annotated Anodyne Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3\cc/c([nH]3)=C(\c3ccc(C)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169363352 KK Annotated Anodyne Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3\cc/c([nH]3)=C(\c3ccc(C)cc3)[C@@H]3C=C[C@@H](N3)/C(c3ccc(C)cc3)=C3/C=CC2=N3)cc1 ZINC000169363353 KK Annotated Anodyne COc1cc(OC)c2c(c1Cl)CC(=O)C/C=C\[C@@H](Sc1ccccc1)[C@H]1O[C@@H]1C[C@@H](C)OC2=O ZINC000169363389 KK Annotated Anodyne C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169363390 KK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169363391 KK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169363392 KK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169363393 KK Annotated Reactive C[C@H]1[C@@H](O)[C@]2(Oc3cc4c(c5c3[C@H](C[C@H]5O)[C@@H]2C)CC[C@H]2Cc3nc5c(nc3C[C@]42C)C[C@@H]2CC[C@H]3C4=C[C@@H]6O[C@@]7(C[C@]6(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C5)O[C@](C)(CO)C[C@H]7O)OC1(C)C ZINC000169363434 KK Annotated Anodyne C[C@H]1[C@@H](O)[C@@]2(Oc3cc4c(c5c3[C@H](C[C@H]5O)[C@@H]2C)CC[C@H]2Cc3nc5c(nc3C[C@]42C)C[C@@H]2CC[C@H]3C4=C[C@@H]6O[C@@]7(C[C@]6(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C5)O[C@](C)(CO)C[C@H]7O)OC1(C)C ZINC000169363435 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@@]3(C)O[C@@H](CC/C(C)=C\[C@@H]12)[C@@]1(C)CC[C@@H]3O1 ZINC000169363511 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccccc3)[C@]23CC[C@]2(C3=O)[C@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169363513 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccccc3)[C@]23CC[C@@]2(C3=O)[C@@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169363514 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccccc3)[C@]23CC[C@@]2(C3=O)[C@@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000169363515 KK Annotated Anodyne CCC[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)OC(=O)[C@H](C)[C@H](O)[C@H]([C@@H](C)CC)NC(=O)[C@@]2(C)CSC(=N2)[C@@]2(C)CSC(=N2)c2csc(n2)C[C@H](OC)[C@@H]1C ZINC000169363531 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169363534 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169363535 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169363536 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169363537 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@@H](CC(=O)[C@]45C[C@@H]4O[C@@]7(CCC(C)(C)O7)[C@@H](C)[C@@H]4[C@]5(C)O)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000169363543 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)/C=C/c3ccccc3)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169363549 KK Annotated Mild C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169363553 KK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000169363554 KK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169363555 KK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000169363556 KK Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)Nc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169363560 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)Nc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169363561 KK Annotated Anodyne CC(=O)C1=C2/C(C(C)=O)=C/CCCCN2[C@H]2C3=C[C@H](c4nccc5c4[nH]c4ccccc45)[C@@H]4CCN(CCCC/C=C\CC3)C[C@@]142 ZINC000169363562 KK Annotated Mild CC(=O)C1=CCCCCN2C1=C(C(C)=O)[C@]13CN4CCCC/C=C/CCC(=C[C@H](c5nccc6c5[nH]c5ccccc56)[C@@H]1CC4)[C@H]23 ZINC000169363563 KK Annotated Mild CC(=O)C1=C2/C(C(C)=O)=C/CCCCN2[C@H]2C3=C[C@H](c4nccc5c4[nH]c4ccccc45)[C@@H]4CCN(CCCC/C=C/CC3)C[C@@]142 ZINC000169363564 KK Annotated Mild Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@@]3(C[C@H]6/C=C/CCCCN6[C@@H]34)C5)nccc12 ZINC000169363567 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@@]3(C[C@H]6/C=C/CCCCN6[C@@H]34)C5)nccc12 ZINC000169363569 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169363588 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)NCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000169363589 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C\CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5/C(C(C)=O)=C/CCCCN5[C@H]43)nccc12 ZINC000169363623 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C/CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5C(C(C)=O)=CCCCCN5[C@H]43)nccc12 ZINC000169363624 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C/CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5/C(C(C)=O)=C/CCCCN5[C@H]43)nccc12 ZINC000169363625 KK Annotated Mild COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)N[C@@H]2c2ccccc2C)c2ncccc2c1 ZINC000169363632 KK Annotated Anodyne C=C1C[C@H]2[C@@H](CC[C@H]3Cc4nc5c(nc4C[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]6O[C@]7(CC[C@H](C)CO7)[C@@H](C)[C@@H]6[C@@]4(C)C(=O)C[C@@H]3[C@@]2(C)C5)C2=C[C@@H]3O[C@]4(CC[C@H](C)CO4)[C@@H](C)[C@@H]3[C@@]12C ZINC000169363633 KK Annotated Mild CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(CC[C@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000169363649 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@H]1C3=O)[C@@H](O)[C@]2(CC[C@H](C)C(=O)O)OC4(C)C ZINC000169363650 KK Annotated Anodyne C[C@@H]1O[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H]6OC(=O)[C@@]5(CCC6(C)C)CC[C@]34C)C2(C)C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169363666 KK Annotated Anodyne CCc1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6[nH]c(cc1[nH]2)[C@@]1(C)C6=CC=C(C(=O)OC)[C@H]1C(=O)OC)nc45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169363687 KK Annotated Bother O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@@H]1[C@@H]([C@@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000169363695 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@@H]([C@@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000169363696 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@H]([C@@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000169363698 KK Annotated Anodyne Cc1cc(O)cc2c1C[C@@H]1C[C@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C\C[C@@]1(C)O2 ZINC000169363704 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169363712 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169363713 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000169363714 KK Annotated Anodyne CC(=O)C1=C2/C=C/CCCCN2[C@H]2C3=C[C@H](c4nccc5c4[nH]c4ccccc45)[C@@H]4CCN(CCCC/C=C\CC3)C[C@@]142 ZINC000169363725 KK Annotated Mild CC(=O)C1=C2C=CCCCCN2[C@H]2C3=C[C@H](c4nccc5c4[nH]c4ccccc45)[C@@H]4CCN(CCCC/C=C/CC3)C[C@@]142 ZINC000169363727 KK Annotated Mild CC(=O)C1=C2/C=C/CCCCN2[C@H]2C3=C[C@H](c4nccc5c4[nH]c4ccccc45)[C@@H]4CCN(CCCC/C=C/CC3)C[C@@]142 ZINC000169363729 KK Annotated Mild O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Cl)cc7)cccc56)[C@H]1CC4)[C@H]23 ZINC000169363733 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@@]3(C[C@H]6CC[C@H](O)CCCN6[C@@H]34)C5)nccc12 ZINC000169363786 KK Annotated Anodyne CC(=O)N1[C@@H]2C=C(CN3[C@H]4CC[C@@H]3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)C[C@@H]1CCC2 ZINC000169363804 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@]4(OC(C)=O)CC/C=C\CCCCN5CC[C@H]3[C@@]3(C[C@H]6/C=C/CCCCN6[C@@H]34)C5)nccc12 ZINC000169363820 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@]4(OC(C)=O)CC/C=C/CCCCN5CC[C@H]3[C@@]3(C[C@H]6C=CCCCCN6[C@@H]34)C5)nccc12 ZINC000169363821 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@]4(OC(C)=O)CC/C=C/CCCCN5CC[C@H]3[C@@]3(C[C@H]6/C=C/CCCCN6[C@@H]34)C5)nccc12 ZINC000169363822 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@H]1CC4)[C@H]23 ZINC000169363832 KK Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7CCC(=O)CCCN7[C@@H]54)C6)nccc23)s1 ZINC000169363835 KK Annotated Anodyne O=C1[C@@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000169363857 KK Annotated Anodyne O=C1[C@@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000169363859 KK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C/2COc1ccccc1NC(C)=O ZINC000169363877 KK Annotated Anodyne CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000169363899 KK Annotated Anodyne CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000169363900 KK Annotated Anodyne CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000169363901 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)C(=O)C[C@@H]2[C@@]1(C)C7 ZINC000169363911 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@H]1CC4)[C@H]23 ZINC000169363915 KK Annotated Anodyne CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169363916 KK Annotated Anodyne CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000169363917 KK Annotated Anodyne CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000169363918 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](CC(=O)[C@]45C[C@@H]4O[C@@]7(CCC(C)(C)O7)[C@@H](C)[C@@H]4[C@]5(C)O)[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CCC(C)(C)O2 ZINC000169363922 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169363926 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169363927 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169363928 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169363929 KK Annotated Anodyne CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000169363959 KK Annotated Anodyne CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000169363960 KK Annotated Anodyne CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000169363961 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169363963 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169363964 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169363965 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@]34CC[C@H](CCCN3[C@@H]21)O4 ZINC000169363966 KK Annotated Anodyne C[C@@H]1C=C[C@@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000169363989 KK Annotated Bother C[C@H]1C=C[C@@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000169363990 KK Annotated Bother C[C@@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000169363991 KK Annotated Bother C[C@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000169363992 KK Annotated Bother C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@@H](CC(=O)[C@]45C[C@@H]4O[C@]7(CC[C@](C)(O)CO7)[C@@H](C)[C@@H]4C5(C)C)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000169364006 KK Annotated Anodyne C[C@H]1[C@H]2C[C@@H](O)c3c4c(cc(c32)O[C@@]12OC(C)(C)C[C@H]2O)[C@@]1(C)Cc2nc3c(nc2C[C@@H]1CC4)C[C@@]1(C)[C@@H](CC[C@H]2C4=C[C@@H]5O[C@@]6(C[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]21)O[C@](C)(CO)C[C@H]6O)C3 ZINC000169364007 KK Annotated Anodyne C[C@H]1[C@H]2C[C@@H](O)c3c4c(cc(c32)O[C@]12OC(C)(C)C[C@H]2O)[C@@]1(C)Cc2nc3c(nc2C[C@@H]1CC4)C[C@@]1(C)[C@@H](CC[C@H]2C4=C[C@@H]5O[C@@]6(C[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]21)O[C@](C)(CO)C[C@H]6O)C3 ZINC000169364008 KK Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1OCc1ccccc1 ZINC000169364018 KK Annotated Mild C=C1[C@H]2C[C@H]3[C@@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1OCc1ccccc1 ZINC000169364019 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 ZINC000169364043 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000169364044 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 ZINC000169364047 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 ZINC000169364049 KK Annotated Mild C=C(CCCC)[C@H](O)/C(C)=C/C=C/[C@@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(/C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000169364072 KK Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000169364084 KK Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000169364085 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169364129 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169364130 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169364131 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000169364132 KK Annotated Reactive CC1(C)Oc2ccc3c(-c4ccccc4)cc(=S)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169364152 KK Annotated Anodyne CC1(C)Oc2ccc3c(-c4ccccc4)cc(=S)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169364153 KK Annotated Anodyne CN1C[C@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]3(C1)[C@H]([C@H]2%15)[C@@]61CN(C)C[C@]%16%191)[C@H]4[C@@H]5%10 ZINC000169364158 KK Annotated Bother CN1C[C@@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CN(C)C[C@]45[C@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000169364159 KK Annotated Bother C=C1CC(=N\OC)/C=C\C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169364165 KK Annotated Mild C=C1CC(=N\OC)/C=C\C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169364166 KK Annotated Mild C=C1CC(=N\OC)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C/C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000169364168 KK Annotated Mild CCCCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169364195 KK Annotated Mild CCCCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169364196 KK Annotated Mild CCCCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169364197 KK Annotated Mild CCCCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@](C)(O7)/C6=N\O)CC1 ZINC000169364198 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169364247 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169364249 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169364251 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169364252 KK Annotated Anodyne O=C(Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)c5ccccc5)n4)n3NC(=O)c3cccc([N+](=O)[O-])c3)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC000169364255 KK Annotated Bother CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C\CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5/C=C/CCCCN5[C@H]43)nccc12 ZINC000169364258 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C/CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5C=CCCCCN5[C@H]43)nccc12 ZINC000169364259 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C/CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5/C=C/CCCCN5[C@H]43)nccc12 ZINC000169364260 KK Annotated Mild O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Br)cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000169364261 KK Annotated Anodyne O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000169364262 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 ZINC000169364267 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C\C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169364268 KK Annotated Anodyne O=C(CCC(=O)OC[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 ZINC000169364269 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C\C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169364270 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1S2)OC[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)O2 ZINC000169364271 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C\[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169364272 KK Annotated Anodyne CO[C@@H]1/C=C(C)\C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C/C1 ZINC000169364273 KK Annotated Anodyne C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@@H]%11[C@H]7%10)[C@H]%12[C@@H]9%16)c48 ZINC000169364304 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c-5c5c9c%10c(c%11c%12c%13c%10c%10c%14c%15c%16c%17c%10c9c8c-%17c8c7c7c9c%10c%17c%18c%19c-%10c(c-%15c%10c%19c%15c(c=%12c%12c-%11c2c2c4c4c6c7c%17c4c4c2c%12c%15c%184)[C@@H]%10[C@H]%13%14)[C@H]%16[C@@H]89)[C@]53C1 ZINC000169364305 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@@H]%11[C@H]7%10)[C@H]%12[C@H]9%16)c48 ZINC000169364306 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c-5c5c9c%10c(c%11c%12c%13c%10c%10c%14c%15c%16c%17c%10c9c8c-%17c8c7c7c9c%10c%17c%18c%19c-%10c(c-%15c%10c%19c%15c(c=%12c%12c-%11c2c2c4c4c6c7c%17c4c4c2c%12c%15c%184)[C@@H]%10[C@H]%13%14)[C@H]%16[C@H]89)[C@]53C1 ZINC000169364307 KK Annotated Bother CC(C)[C@@H](O)CC[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H](O)CC[C@@H](OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C ZINC000169364325 KK Annotated Anodyne CC(C)[C@H](O)CC[C@H](C)[C@H](O)CC[C@H](C)[C@@H](CC[C@H](O)[C@H](C)CC[C@H](O)[C@H](C)CC[C@@H](O)C(C)C)OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000169364326 KK Annotated Anodyne CC(C)[C@@H](O)CC[C@H](C)[C@@H](O)CC[C@@H](C)[C@@H](O)CC[C@@H](OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C ZINC000169364327 KK Annotated Anodyne CC(C)[C@H](O)CC[C@H](C)[C@@H](O)CC[C@@H](C)[C@@H](O)CC[C@@H](OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C ZINC000169364328 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@H](O)CC[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169364356 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@H](O)CC[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169364357 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](O)CC[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169364358 KK Annotated Anodyne C[C@@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@H]7[C@H]48)[C@@]532 ZINC000169364359 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@H]7[C@H]48)[C@]523 ZINC000169364360 KK Annotated Mild C[C@@]12CCC/C(=N\OCC(=O)O)[C@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@H]7[C@H]48)[C@@]532 ZINC000169364361 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@H]7[C@H]48)[C@]523 ZINC000169364362 KK Annotated Mild C/C=C/CC(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]1OC ZINC000169364371 KK Annotated Anodyne C/C=C/CC(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]1OC ZINC000169364373 KK Annotated Anodyne C/C=C/CC(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]1OC ZINC000169364375 KK Annotated Anodyne C/C=C/CC(=O)[C@@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]1OC ZINC000169364377 KK Annotated Anodyne O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Cl)cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000169364389 KK Annotated Anodyne O=C1[C@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000169364390 KK Annotated Anodyne C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)[C@H]5[C@H]%22c5c4c4c6c(c5-%21)[C@H]([C@@H]%20%17)[C@@]5(C[N+](C)(C)C[C@@]%13%165)C6=C%12[C@@H]%10[C@@H]42)[C@@]73C1 ZINC000169364404 KK Annotated Bother C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)[C@H]5[C@H]%22c5c4c4c6c(c5-%21)[C@H]([C@@H]%20%17)[C@@]5(C[N+](C)(C)C[C@]%13%165)C6=C%12[C@@H]%10[C@@H]42)[C@@]73C1 ZINC000169364407 KK Annotated Bother C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)[C@H]5[C@H]%22c5c4c4c6c(c5-%21)[C@H]([C@@H]%20%17)[C@@]5(C[N+](C)(C)C[C@@]%13%165)C6=C%12[C@@H]%10[C@H]42)[C@@]73C1 ZINC000169364408 KK Annotated Bother C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)[C@H]5[C@H]%22c5c4c4c6c(c5-%21)[C@H]([C@@H]%20%17)[C@@]5(C[N+](C)(C)C[C@]%13%165)C6=C%12[C@@H]%10[C@H]42)[C@@]73C1 ZINC000169364409 KK Annotated Bother O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3CCCCCCN3[C@@H]21 ZINC000169364410 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364411 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364412 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364413 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364414 KK Annotated Mild CNC(=O)N1CCC2(CC1)OCC(C[C@H]1O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)(C[C@H]1O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)O2 ZINC000169364438 KK Annotated Reactive CC1(C)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169364495 KK Annotated Anodyne CC1(C)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169364496 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)[C@@H](O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169364515 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169364516 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\C(=O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169364526 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C\[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\C(=O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169364527 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C\C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\C(=O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169364528 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)/C=C\C(=O)[C@H](C)[C@H](OC)/C(C)=C\C=C/[C@@H]2C)cs1 ZINC000169364529 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364531 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364532 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364533 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169364534 KK Annotated Mild C[N+]12CCN(CC1)[C@@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@@H]9%16)c48 ZINC000169364566 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@@H]9%16)c48 ZINC000169364567 KK Annotated Bother C[N+]12CCN(CC1)[C@@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@@H]9%16)c48 ZINC000169364568 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@@H]9%16)c48 ZINC000169364569 KK Annotated Bother COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000169364576 KK Annotated Clean COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000169364577 KK Annotated Clean CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)CCCCCCOc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C ZINC000169364627 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl ZINC000169364635 KK Annotated Reactive CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(O)cc5[C@@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364636 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(O)cc5[C@@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364637 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(O)cc5[C@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364638 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(O)cc5[C@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364639 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@H]4O)C3=O ZINC000169364647 KK Annotated Anodyne COc1ccccc1C(=O)Oc1ccc(/C=C/C(=O)O[C@H]2C[C@H]3OC[C@@]3(OC(C)=O)[C@H]3[C@H](OCc4ccccc4)[C@]45OC(=O)O[C@H]4[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]23C)C5(C)C)cc1 ZINC000169364666 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000169364716 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000169364717 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000169364719 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(F)cccc5[C@@H](Nc5ccccc5F)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364768 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5c(F)cccc5[C@@H](Nc5ccccc5F)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364769 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(F)cccc5[C@H](Nc5ccccc5F)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364770 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5c(F)cccc5[C@H](Nc5ccccc5F)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364772 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)Oc5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169364775 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(Cl)cc5[C@@H](Nc5ccc(Cl)cc5)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364827 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(Cl)cc5[C@@H](Nc5ccc(Cl)cc5)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364829 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(Cl)cc5[C@H](Nc5ccc(Cl)cc5)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364831 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(Cl)cc5[C@H](Nc5ccc(Cl)cc5)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169364832 KK Annotated Anodyne C[C@H]1CN([C@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 ZINC000169364901 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C\C(C)=C/[C@@H]1CO ZINC000169364926 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C/C(C)=C\[C@@H]1CO ZINC000169364928 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C\C(C)=C\[C@@H]1CO ZINC000169364930 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000169364932 KK Annotated Mild O=C(O)CCNc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NCCC(=O)O)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1 ZINC000169364933 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169364946 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nn([C@@H](Cc3ccco3)Nc3ccc(S(=O)(=O)c4ccc(N[C@@H](Cc5ccco5)n5nc(-c6ccc([N+](=O)[O-])cc6)oc5=S)cc4)cc3)c(=S)o2)cc1 ZINC000169364956 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nn([C@H](Cc3ccco3)Nc3ccc(S(=O)(=O)c4ccc(N[C@@H](Cc5ccco5)n5nc(-c6ccc([N+](=O)[O-])cc6)oc5=S)cc4)cc3)c(=S)o2)cc1 ZINC000169364958 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nn([C@@H](Cc3ccco3)Nc3ccc(S(=O)(=O)c4ccc(N[C@H](Cc5ccco5)n5nc(-c6ccc([N+](=O)[O-])cc6)oc5=S)cc4)cc3)c(=S)o2)cc1 ZINC000169364959 KK Annotated Bother O=C(O)CO/N=C1\CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169365029 KK Annotated Mild O=C(O)CO/N=C1\CC[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169365030 KK Annotated Mild O=C(O)CO/N=C1\CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169365031 KK Annotated Mild O=C(O)CO/N=C1\CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000169365032 KK Annotated Mild CCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169365097 KK Annotated Mild CCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169365098 KK Annotated Mild CCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169365099 KK Annotated Mild CCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169365100 KK Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(/C)[C@@H](O[C@@H]4C[C@@H](OC)[C@@H](O[C@@H]5C[C@@H](OC)[C@@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C\C=C4\COc5cc(C)cc(c54)C(=O)O3)O2)C[C@@H](OC(C)=O)[C@@H]1C ZINC000169365213 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@@H](OC)[C@@H](O[C@@H]5C[C@@H](OC)[C@@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C\C=C4\COc5cc(C)cc(c54)C(=O)O3)O2)C[C@@H](OC(C)=O)[C@@H]1C ZINC000169365214 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(/C)[C@@H](O[C@@H]4C[C@@H](OC)[C@@H](O[C@@H]5C[C@@H](OC)[C@@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C\C=C4/COc5cc(C)cc(c54)C(=O)O3)O2)C[C@@H](OC(C)=O)[C@@H]1C ZINC000169365215 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@@H](OC)[C@@H](O[C@@H]5C[C@@H](OC)[C@@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C\C=C4/COc5cc(C)cc(c54)C(=O)O3)O2)C[C@@H](OC(C)=O)[C@@H]1C ZINC000169365216 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OC5CCCCC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169365217 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5cccc(Cl)c5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169365218 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169365276 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169365277 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169365278 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169365279 KK Annotated Anodyne COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000169365284 KK Annotated Anodyne COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000169365285 KK Annotated Anodyne COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000169365286 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3 ZINC000169365305 KK Annotated Anodyne C=C1CC[C@@H]2O[C@@H]1CC/C(C)=C\[C@@H]1C(=C(C)C[C@H]3C(=O)C[C@H](C)CCC[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C[C@@]13C(=O)OC)[C@H](O)C[C@@]2(C)O ZINC000169365327 KK Annotated Mild CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169365330 KK Annotated Anodyne CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169365331 KK Annotated Anodyne CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169365332 KK Annotated Anodyne CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169365333 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H]3O[C@H]4O[C@H]5O[C@H](O[C@@]24[C@@]2(C)CCCC(C)(C)[C@H]12)C1=C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@]15O3 ZINC000169365346 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H]3O[C@H]4O[C@H]5O[C@@H](O[C@@]24[C@@]2(C)CCCC(C)(C)[C@H]12)C1=C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@]15O3 ZINC000169365348 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H]3O[C@H]4O[C@@H]5O[C@@H](O[C@@]24[C@@]2(C)CCCC(C)(C)[C@H]12)C1=C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@]15O3 ZINC000169365351 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169365408 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169365409 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169365410 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169365411 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169365436 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169365437 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCC[C@H]3NC2=O)cc1Cl ZINC000169365580 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCC[C@@H]3NC2=O)cc1Cl ZINC000169365581 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000169365594 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000169365596 KK 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)c2ccc([N+](=O)[O-])cc2Cl)[C@@]13C(=O)O ZINC000169365599 KK Annotated Mild CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(\C)C(=O)N3)O5)CC1 ZINC000169365688 KK Annotated Anodyne CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(/C)C(=O)N3)O5)CC1 ZINC000169365689 KK Annotated Anodyne CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000169365690 KK Annotated Anodyne CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(\C)C(=O)N3)O5)CC1 ZINC000169365691 KK Annotated Anodyne C1=C/C2=C(/c3ccccc3)[C@@H]3C=C[C@@H](N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(/c3ccccc3)C3=N/C(=C(\c4ccccc4)C1=N2)C=C3 ZINC000169365736 KK Annotated Anodyne C1=C/C2=C(/c3ccccc3)[C@@H]3C=C[C@@H](N3)/C(c3ccccc3)=c3\cc/c([nH]3)=C(/c3ccccc3)C3=N/C(=C(\c4ccccc4)C1=N2)C=C3 ZINC000169365737 KK Annotated Anodyne CO[C@H](/C=C/C(C)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000169365751 KK Annotated Mild CO[C@@H](/C=C/C(C)=C\C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000169365752 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCC(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169365767 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365839 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365840 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365841 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365842 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169365882 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169365884 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169365886 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169365888 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C/[C@@H](C)[C@@H](O)C[C@H](OC)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169365900 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C\[C@@H](C)[C@@H](O)C[C@H](OC)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169365902 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C/C=C/[C@@H](C)[C@@H](O)C[C@H](OC)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169365903 KK Annotated Anodyne COc1ccc(O[C@@H]2O[C@@H](C(=O)O[C@H]3C[C@H]4[C@@H](OC(C)=O)[C@@H]5[C@@H]6CN[C@@H]6CC[C@@]5(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1 ZINC000169365906 KK Annotated Anodyne COc1ccc(O[C@H]2O[C@@H](C(=O)O[C@H]3C[C@H]4[C@@H](OC(C)=O)[C@@H]5[C@@H]6CN[C@@H]6CC[C@@]5(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C3C)C4(C)C)[C@H](c3ccccc3)N2C(=O)c2ccccc2)cc1 ZINC000169365907 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365992 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365993 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365994 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@@H]5C)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169365995 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)OC[C@@H]1C=CC(=O)[C@@H]([C@@H]2CCCC=C2C)O1 ZINC000169366051 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)OC[C@@H]1C=CC(=O)[C@@H]([C@H]2CCCC=C2C)O1 ZINC000169366052 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169366074 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169366075 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169366077 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169366078 KK Annotated Mild O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169366111 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@H]2N3)cc1 ZINC000169366112 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3/C=CC2=N3)cc1 ZINC000169366113 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=c1/cc/c([nH]1)=C(\c1ccc(C(=O)O)cc1)C1=N/C(=C(\c3ccc(C(=O)O)cc3)C3=N/C(=C\2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000169366132 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=c1\cc/c([nH]1)=C(\c1ccc(C(=O)O)cc1)C1=N/C(=C(\c3ccc(C(=O)O)cc3)C3=N/C(=C\2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000169366133 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=c1/cc/c([nH]1)=C(/c1ccc(C(=O)O)cc1)C1=N/C(=C(\c3ccc(C(=O)O)cc3)C3=N/C(=C\2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000169366134 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=c1\cc/c([nH]1)=C(/c1ccc(C(=O)O)cc1)C1=N/C(=C(\c3ccc(C(=O)O)cc3)C3=N/C(=C\2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000169366135 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(C)/C=C\C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000169366194 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C\C=C/C(=O)O1 ZINC000169366199 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C[C@H](O)[C@H](C)/C=C\C=C/C(=O)O1 ZINC000169366200 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C[C@H](O)[C@H](C)/C=C/C=C\C(=O)O1 ZINC000169366201 KK Annotated Anodyne COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)c5cc(NC(=O)CCCOc6cc7c(cc6OC)C(=O)N6CCC[C@H]6C=N7)cn5C)cn4C)cn3C)cn2C)cn1C ZINC000169366278 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(CC/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169366349 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(CC/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169366350 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000169366389 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000169366391 KK Annotated Reactive CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000169366393 KK Annotated Reactive CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000169366394 KK Annotated Reactive CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169366426 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169366427 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169366428 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169366429 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N(C)C(C)=O)/C(C)=C\[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169366464 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N(C)C(C)=O)/C(C)=C/[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169366465 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N(C)C(C)=O)/C(C)=C\[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169366466 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N(C)C(C)=O)/C(C)=C/[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169366467 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C1=CCC(C#N)(C#N)C(C#N)(C#N)[C@]15CC)c(CC)c4CC)c(CC)c3CC ZINC000169366514 KK Annotated Mild Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169366521 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169366522 KK Annotated Anodyne CCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169366559 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000169366625 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000169366626 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000169366627 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000169366628 KK Annotated Mild CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169366630 KK Annotated Anodyne CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169366631 KK Annotated Anodyne CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169366632 KK Annotated Anodyne CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169366633 KK Annotated Anodyne C[C@H](C[C@H](C)/C(O)=C/C(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1)C[C@H](C)CCC(=O)O ZINC000169366723 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)Oc5ccc(OC)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169366728 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(C)/C=C\C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000169366741 KK Annotated Mild CC[C@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)oc(=O)c4c3C ZINC000169366753 KK Annotated Bother COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OO[C@@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 ZINC000169366914 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OO[C@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 ZINC000169366916 KK Annotated Reactive 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000169366958 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000169366959 KK Annotated Mild CCCCCCO[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169366960 KK Annotated Mild CCCCCCO[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000169366961 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169366989 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@H]4O[C@@H](COC(=O)[C@@H]5OC(C)(C)N(C(=O)c6ccccc6)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000169367001 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@H]4O[C@H](COC(=O)[C@@H]5OC(C)(C)N(C(=O)c6ccccc6)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000169367002 KK Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](COC(=O)c3ccccc3)C[C@H](OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000169367006 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169367020 KK Annotated Anodyne C/C=C/C=C(/O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1O)C(=O)C(CC)CC ZINC000169367027 KK Annotated Mild C/C=C/C=C(/O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1O)C(=O)C(CC)CC ZINC000169367028 KK Annotated Mild C/C=C/C=C(/O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1O)C(=O)C(CC)CC ZINC000169367029 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000169367042 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000169367043 KK 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)c2cnc4ccccc4c2)[C@@]13C(=O)O ZINC000169367044 KK Annotated Mild Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@@H](N)CO)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000169367121 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@@H](N)CO)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000169367122 KK Annotated Anodyne CNc1nc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)c3ccc(OC)cc3n2)cs1 ZINC000169367131 KK Annotated Anodyne CCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169367170 KK Annotated Mild COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)NCc2ccccc2)O1)OC ZINC000169367209 KK Annotated Anodyne C/C=C/C(=O)C[C@@H]1CC[C@@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)OC(C)=O)O3)O2 ZINC000169367251 KK Annotated Mild C/C=C/C(=O)C[C@H]1CC[C@@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)OC(C)=O)O3)O2 ZINC000169367253 KK Annotated Mild C/C=C/C(=O)C[C@@H]1CC[C@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)OC(C)=O)O3)O2 ZINC000169367255 KK Annotated Mild C/C=C/C(=O)C[C@H]1CC[C@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)OC(C)=O)O3)O2 ZINC000169367257 KK Annotated Mild CC1(C)Oc2ccc3ccc(=S)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169367328 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=S)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169367329 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CNC(=O)c1ccc(Cl)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169367333 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CNC(=O)c1ccc(Cl)cc1)[C@@H]3OC ZINC000169367335 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169367395 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169367396 KK 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)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@]13C(=O)O ZINC000169367397 KK Annotated Mild CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169367407 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169367408 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169367409 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000169367410 KK Annotated Anodyne C/C=C/C(=O)C[C@@H]1CC[C@@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)O2 ZINC000169367459 KK Annotated Mild C/C=C/C(=O)C[C@H]1CC[C@@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)O2 ZINC000169367462 KK Annotated Mild C/C=C/C(=O)C[C@@H]1CC[C@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)O2 ZINC000169367465 KK Annotated Mild C/C=C/C(=O)C[C@H]1CC[C@]2(O)C[C@@H](C)[C@@H](CCCNC(=O)[C@@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@@H](CC[C@@H](C)/C=C(\C)[C@@H](C)O)O3)O2 ZINC000169367466 KK Annotated Mild CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COC(=O)C(C)C)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000169367500 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COC(=O)C(C)C)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000169367501 KK Annotated Anodyne Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169367505 KK Annotated Anodyne Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169367507 KK Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C\C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000169367510 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367511 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367513 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367514 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367515 KK Annotated Anodyne COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169367536 KK Annotated Mild COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169367537 KK Annotated Mild COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169367538 KK Annotated Mild COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C\O[C@@](C)(O2)C3=O ZINC000169367539 KK Annotated Mild COC(=O)[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169367546 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169367547 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169367548 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169367549 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367583 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367584 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367585 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367586 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H](O)/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169367650 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H](O)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169367651 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H](O)/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169367652 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](C)[C@@H](O)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H]1C ZINC000169367653 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC2=O)cc1Cl ZINC000169367673 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4)c1ccccc1 ZINC000169367679 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4)c1ccccc1 ZINC000169367680 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4)c1ccccc1 ZINC000169367681 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4)c1ccccc1 ZINC000169367682 KK Annotated Anodyne C=C(Cl)CN1C[C@H](OC[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)O[C@@H]2CCC[C@H]21 ZINC000169367732 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)O[C@@H]2CCC[C@H]21 ZINC000169367733 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367739 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367741 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367743 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367745 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(OC)cc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169367756 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(OC)cc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169367757 KK Annotated Anodyne O[C@H]1CC[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c2c2c4c4c6c6c(c%117)c%12c7c%14c%11c%12c%15c%18c%14c%20c%21c%15c2c2c4c6c7c%11c2c%15c%14%12)=C2C[C@@]4(CC[C@@H](O)C[C@]94C(=C%17C%19)[C@@H]%10[C@@H]%16%13)[C@H]([C@H]85)[C@@]23C1 ZINC000169367766 KK Annotated Bother O[C@H]1CC[C@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CC[C@H](O)C[C@]45[C@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000169367767 KK Annotated Bother O[C@H]1CC[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c2c2c4c4c6c6c(c%117)c%12c7c%14c%11c%12c%15c%18c%14c%20c%21c%15c2c2c4c6c7c%11c2c%15c%14%12)=C2C[C@]4(CC[C@@H](O)C[C@]94C(=C%17C%19)[C@@H]%10[C@@H]%16%13)[C@H]([C@H]85)[C@@]23C1 ZINC000169367768 KK Annotated Bother O[C@H]1CC[C@@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CC[C@H](O)C[C@]45[C@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000169367769 KK Annotated Bother CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCc5ccccc5[N+](=O)[O-])[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169367772 KK Annotated Bother CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@H]7OC[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3=O ZINC000169367775 KK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2CN([C@@H]4C=CCCC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000169367802 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN([C@@H]4C=CCCC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000169367803 KK Annotated Mild Cc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169367808 KK Annotated Anodyne Cc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169367810 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C\C=C(/COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000169367835 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C\C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000169367836 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(/COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000169367837 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367851 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367852 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367853 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169367854 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169367864 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169367865 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169367866 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169367867 KK Annotated Anodyne COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N3)O6)CC2)cc1 ZINC000169367887 KK Annotated Clean COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N3)O6)CC2)cc1 ZINC000169367888 KK Annotated Clean COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N3)O6)CC2)cc1 ZINC000169367889 KK Annotated Clean COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N3)O6)CC2)cc1 ZINC000169367890 KK Annotated Clean C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169367932 KK Annotated Clean C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000169367933 KK Annotated Clean C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000169367934 KK Annotated Clean CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(-c9ccoc9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169367935 KK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@@]1(C3)C(=O)O[C@H]2[C@H]1[C@@H](CC(=O)CC(C)C)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000169367974 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@@]1(C3)C(=O)O[C@H]2[C@H]1[C@@H](CC(=O)CC(C)C)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000169367975 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@H]2[C@H]1[C@@H](CC(=O)CC(C)C)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000169367976 KK Annotated Mild CCCCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169368023 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368045 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368048 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368049 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368051 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169368066 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169368067 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169368068 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169368070 KK Annotated Mild O=C1[C@@H]2CCCCCCN2[C@H]2[C@@]3(O)C=C(c4nccc5c4[nH]c4ccc(O)cc45)[C@@H]4CCN(CCCC/C=C/CC3)C[C@@]142 ZINC000169368080 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OC5CCCC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169368102 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]7O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@@H]1OC3 ZINC000169368122 KK Annotated Anodyne CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169368151 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169368152 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169368153 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000169368154 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000169368167 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C(=O)[C@@H](OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)C[C@H](OC(=O)CCC(=O)O)C1=O ZINC000169368171 KK 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=C\C2=C(C)C(=O)[C@H](OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)C[C@H](OC(=O)CCC(=O)O)C1=O ZINC000169368172 KK 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=C\C2=C(C)C(=O)[C@H](OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)C[C@@H](OC(=O)CCC(=O)O)C1=O ZINC000169368174 KK Annotated Mild C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)[C@@H]3O[C@@H](c4ccc(OC)cc4OC)N(C(=O)OC(C)(C)C)[C@H]3CC(C)C)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169368186 KK Annotated Mild C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)[C@@H]3O[C@H](c4ccc(OC)cc4OC)N(C(=O)OC(C)(C)C)[C@H]3CC(C)C)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169368187 KK Annotated Mild COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169368206 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169368207 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169368208 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169368209 KK Annotated Anodyne CCNc1nc(-c2cc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3ccc(OC)cc3n2)cs1 ZINC000169368217 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COCc5ccc(OC)cc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169368226 KK Annotated Anodyne CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000169368227 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000169368228 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Cl ZINC000169368229 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\[C@@H](OC)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000169368237 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C\C=C(C)\C=C\[C@H](OC)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000169368238 KK Annotated Mild CCN(CC)c1ccc2cc(NC(=O)O[C@H](NC=O)C(=O)NC/C(C)=C/C=C(\C)[C@H]3OC(=O)/C(C)=C\[C@H](C)/C=C\C(C)=C/[C@@H](OC)C/C=C\C(C)=C/CC[C@H](OC)/C=C\C=C/[C@@H]3C)c(=O)oc2c1 ZINC000169368245 KK Annotated Anodyne CCN(CC)c1ccc2cc(NC(=O)O[C@H](NC=O)C(=O)NC/C(C)=C/C=C(\C)[C@H]3OC(=O)/C(C)=C/[C@H](C)/C=C\C(C)=C/[C@@H](OC)C/C=C\C(C)=C/CC[C@H](OC)/C=C\C=C/[C@@H]3C)c(=O)oc2c1 ZINC000169368246 KK Annotated Anodyne CCN(CC)c1ccc2cc(NC(=O)O[C@H](NC=O)C(=O)NC/C(C)=C/C=C(\C)[C@H]3OC(=O)/C(C)=C\[C@H](C)/C=C/C(C)=C\[C@@H](OC)C/C=C\C(C)=C/CC[C@H](OC)/C=C\C=C/[C@@H]3C)c(=O)oc2c1 ZINC000169368247 KK Annotated Anodyne CCN(CC)c1ccc2cc(NC(=O)O[C@H](NC=O)C(=O)NC/C(C)=C/C=C(\C)[C@H]3OC(=O)/C(C)=C/[C@H](C)/C=C/C(C)=C\[C@@H](OC)C/C=C\C(C)=C/CC[C@H](OC)/C=C\C=C/[C@@H]3C)c(=O)oc2c1 ZINC000169368248 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169368251 KK Annotated Anodyne CCCCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(C)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169368291 KK Annotated Mild CC(=O)O[C@@]1([C@@H]2/C(C)=C(\OC(=O)OC(C)(C)C)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCOC(=O)OC(C)(C)C ZINC000169368312 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368318 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368319 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368320 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368321 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)NCCc3c[nH]cn3)c1C)/C=c1/[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCc1c[nH]cn1)/C=C1/N=C(C2)C(C)=C1CC ZINC000169368348 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)NCCc3c[nH]cn3)c1C)/C=c1\[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCc1c[nH]cn1)/C=C1/N=C(C2)C(C)=C1CC ZINC000169368349 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cccc(Cl)c2)[C@@H]1C)C4=O ZINC000169368363 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cccc(Cl)c2)[C@@H]1C)C4=O ZINC000169368365 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cccc(Cl)c2)[C@@H]1C)C4=O ZINC000169368366 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cccc(Cl)c2)[C@@H]1C)C4=O ZINC000169368367 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCOC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(COCCCCCCCC/C=C\CCCCCCCC)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O ZINC000169368402 KK Annotated Mild CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169368410 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368424 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368425 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368426 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169368427 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N4C3)cc(-c3csc(NC(C)=O)n3)nc2c1 ZINC000169368432 KK Annotated Anodyne CCN(CC)C(=O)OCc1ccc(S(=O)(=O)CC(C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 ZINC000169368437 KK Annotated Reactive C/C=C1/C[C@@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@@H]1N3)c1[nH]c3ccccc3c1C[C@@H](NC)[C@H]2C(=O)OC ZINC000169368472 KK Annotated Anodyne C/C=C1/C[C@@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@@H]1N3)c1[nH]c3ccccc3c1C[C@@H](NC)[C@H]2C(=O)OC ZINC000169368473 KK Annotated Anodyne C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169368474 KK Annotated Mild C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169368475 KK Annotated Mild C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169368476 KK Annotated Mild C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169368477 KK Annotated Mild CCCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(cc4nc(c5c(=O)n(CCCCCC)c(=O)c6c(C)c(cc1[nH]2)nc56)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3CC ZINC000169368487 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@@H](O)CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000169368489 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@@H](O)CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169368490 KK Annotated Anodyne CO[C@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C[C@@H](O)CC(=O)[C@H]1C ZINC000169368491 KK Annotated Anodyne CO[C@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C[C@@H](O)CC(=O)[C@H]1C ZINC000169368492 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169368514 KK Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)NC(C)=O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368566 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)NC(C)=O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368567 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)NC(C)=O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368568 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)NC(C)=O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368569 KK Annotated Mild CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368583 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368584 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368585 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OCNC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368586 KK Annotated Anodyne CCCCCC[C@@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000169368601 KK Annotated Anodyne CCCCCC[C@@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000169368602 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000169368603 KK Annotated Anodyne COC(=O)c1coc(/C=C/CC[C@@H](C)[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(C(N)=O)n2)n1 ZINC000169368614 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@H](C)[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(C(N)=O)n2)n1 ZINC000169368615 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@@H](C)[C@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(C(N)=O)n2)n1 ZINC000169368617 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(C(N)=O)n2)n1 ZINC000169368618 KK Annotated Mild CO/C1=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368619 KK Annotated Mild CO/C1=C\C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368620 KK Annotated Mild CO/C1=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368621 KK Annotated Mild CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)C(=O)[C@H](C)C2=CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368622 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Br)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000169368623 KK Annotated Reactive CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/N(C)C=O ZINC000169368624 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/N(C)C=O ZINC000169368625 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/N(C)C=O ZINC000169368626 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](OC)[C@@H](C)/C=C/N(C)C=O ZINC000169368627 KK Annotated Mild COC(=O)c1nc(-c2nc([C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@@H](O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000169368645 KK Annotated Mild COC(=O)c1nc(-c2nc([C@H](OC)[C@@H](C)C(=O)/C=C/C[C@@H](O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000169368646 KK Annotated Mild COC(=O)c1nc(-c2nc([C@@H](OC)[C@H](C)C(=O)/C=C/C[C@@H](O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000169368647 KK Annotated Mild COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@@H](O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000169368648 KK Annotated Mild CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](NC3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368651 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](NC3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368652 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(CO)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000169368653 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](NC3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368654 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C\C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(CO)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000169368655 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](NC3CCCCC3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169368656 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(CO)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000169368657 KK Annotated Anodyne Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@H]4CC=CCCCN4[C@@H]21)C3 ZINC000169368660 KK Annotated Anodyne Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@H]4C/C=C/CCCN4[C@@H]21)C3 ZINC000169368661 KK Annotated Anodyne Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@H]4C/C=C/CCCN4[C@@H]21)C3 ZINC000169368662 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)[C@@H]1C#Cc1ccccc1 ZINC000169368687 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)[C@@H]1C#Cc1ccccc1 ZINC000169368688 KK Annotated Mild COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1 ZINC000169368750 KK Annotated Anodyne CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@@]4(O)[C@@H](C(=O)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@H](C)O5)N=C(N2)N34)O1 ZINC000169368753 KK Annotated Anodyne CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@]4(O)[C@@H](C(=O)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@H](C)O5)N=C(N2)N34)O1 ZINC000169368754 KK Annotated Anodyne CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@H](C)O5)N=C(N2)N34)O1 ZINC000169368755 KK Annotated Anodyne CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@H](C)O5)N=C(N2)N34)O1 ZINC000169368756 KK Annotated Anodyne COC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@]1(O)O[C@H](C[C@H](OC)/C(C)=C/C=C\C=C/[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC[C@H]1C ZINC000169368770 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)Cc5ccccc5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000169368801 KK Annotated Anodyne C/C1=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](COC(=O)c4ccccc4)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000169368807 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC/C=C\CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169368813 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1CCCC/C=C/CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169368814 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC/C=C\CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169368815 KK Annotated Anodyne CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368834 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368836 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368837 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)O)C[C@@]2(CC=C(C)C)C1=O ZINC000169368838 KK Annotated Mild CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)N(C)C)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169368879 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C9CC9)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000169368891 KK Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)C[C@@H]2CC(C#N)=CC=C21 ZINC000169368901 KK Annotated Reactive Cn1cncc1CN1C[C@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)C[C@@H]2CC(C#N)=CC=C21 ZINC000169368902 KK Annotated Reactive CC[C@@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@@H]3C=C(C(C)C)[C@@]54C(=O)O)C[C@H]12 ZINC000169368909 KK Annotated Mild CC[C@@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@@H]3C=C(C(C)C)[C@]45C(=O)O)C[C@H]12 ZINC000169368911 KK Annotated Mild CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccc(-c5ccccc5)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CC=CN6CC[C@]43[C@@H]65)C2)C1 ZINC000169368944 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)[C@](OC)([C@@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000169368961 KK Annotated Mild CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)[C@](OC)([C@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000169368962 KK Annotated Mild CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)[C@@](OC)([C@@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000169368963 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169368966 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169368968 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169368969 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000169368970 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000169368985 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000169368987 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000169368988 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000169368989 KK Annotated Mild CC[C@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@@H]3C=C(C(C)C)[C@]45C(=O)O)C[C@@H]21 ZINC000169369001 KK Annotated Mild CC[C@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@@H]3C=C(C(C)C)[C@@]54C(=O)O)C[C@@H]21 ZINC000169369002 KK Annotated Mild CC[C@H]1CCCN(CCc2c([C@@]3(COC(C)=O)CC[C@@H](COC(C)=O)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000169369005 KK Annotated Anodyne CCC(=O)c1ccc2[nH]c3c(c2c1)CCN1C[C@H](C[C@@H](C(C)(F)F)C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)C=CCN4CC[C@]21[C@@H]43 ZINC000169369086 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](C(C)=O)[C@@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000169369133 KK Annotated Anodyne CC[C@@H]1CCCN(CCc2c([C@H]3CCCc4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000169369207 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(OC(C)=O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169369212 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(OC(C)=O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169369213 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(OC(C)=O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000169369214 KK Annotated Anodyne C1=C(c2nccc3c2[nH]c2ccccc23)[C@@H]2CCN3CCCC/C=C\CC[C@]14O[C@@]15/C=C/CCCCN1[C@@H]4[C@]2(C3)C5 ZINC000169369254 KK Annotated Anodyne C1=C[C@]23C[C@]45CN6CCCC/C=C/CC[C@@](C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]4CC6)(O2)[C@@H]5N3CCCC1 ZINC000169369255 KK Annotated Anodyne C1=C(c2nccc3c2[nH]c2ccccc23)[C@@H]2CCN3CCCC/C=C/CC[C@]14O[C@@]15/C=C/CCCCN1[C@@H]4[C@]2(C3)C5 ZINC000169369256 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2/C(C)=C(\OC(=O)[C@@H](O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)C3=C(C)[C@@H](O)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCOC(=O)C(C)(C)C ZINC000169369287 KK Annotated Mild C#Cc1ccc2[nH]c3c(c2c1)CN1CC(CC)=C[C@@H](C1)C[C@]3(C(=O)OC)c1cc2c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]3(CC)CC=CN4CC[C@]21[C@@H]43 ZINC000169369300 KK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000169369304 KK Annotated Reactive CCc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@@]1(C)C5=CC=C(C(=O)OC)[C@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169369327 KK Annotated Bother COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169369329 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169369330 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169369331 KK Annotated Anodyne COC(=O)[C@@H]1C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@@H]2OC)O[C@H](C(C)C)[C@H]1C ZINC000169369332 KK Annotated Anodyne Cc1cc(O)c2c3c(cc4c(c13)O[C@H](C)C4(C)C)C(=O)[C@@H](/N=c1\c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c53)O[C@@H](C)C4(C)C)C2=O ZINC000169369336 KK Annotated Anodyne Cc1cc(O)c2c3c(cc4c(c13)O[C@H](C)C4(C)C)C(=O)[C@H](/N=c1\c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c53)O[C@@H](C)C4(C)C)C2=O ZINC000169369337 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369345 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369346 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369347 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369348 KK Annotated Anodyne O=[P@]1(C(c2ccccc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000169369382 KK Annotated Anodyne CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)/C=C\[C@@H](C)[C@H](/C(C)=C/[C@@H](C)NC(C)=O)OC(=O)/C=C\C=C(C)\C=C/[C@]3(C)[C@@H]2C1 ZINC000169369444 KK Annotated Anodyne CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)\C=C/[C@@H](C)[C@H](/C(C)=C/[C@@H](C)NC(C)=O)OC(=O)/C=C\C=C(C)\C=C/[C@]3(C)[C@@H]2C1 ZINC000169369445 KK Annotated Anodyne CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)/C=C/[C@@H](C)[C@H](/C(C)=C/[C@@H](C)NC(C)=O)OC(=O)/C=C\C=C(C)\C=C/[C@]3(C)[C@@H]2C1 ZINC000169369446 KK Annotated Anodyne CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)\C=C\[C@@H](C)[C@H](/C(C)=C/[C@@H](C)NC(C)=O)OC(=O)/C=C\C=C(C)\C=C/[C@]3(C)[C@@H]2C1 ZINC000169369447 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C\C(C)=C/[C@H]1C ZINC000169369459 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C/C(C)=C\[C@H]1C ZINC000169369460 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C\C(C)=C\[C@H]1C ZINC000169369461 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](C(=O)OC)[C@H](C)[C@@H](C(C)C)O2)OC(=O)/C(OC)=C/C(C)=C/[C@H]1C ZINC000169369462 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169369477 KK Annotated Anodyne COc1cc(C[C@H]2C(=O)O[C@@H](O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C(Sc2ccccc2)(Sc2ccccc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000169369509 KK Annotated Anodyne COc1cc(C[C@H]2C(=O)O[C@@H](O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C(Sc2ccccc2)(Sc2ccccc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000169369510 KK Annotated Anodyne CO/C1=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369517 KK Annotated Anodyne CO/C1=C\C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369518 KK Annotated Anodyne CO/C1=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369519 KK Annotated Anodyne CO/C1=C\C(C)=C\[C@@H](C)C(=O)[C@@H](C)C/C(C)=C\C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)CC(=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169369520 KK Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)/C=C\C=C(C)\C=C\C=C(/C)C(=O)O)C(=O)C[C@H]32)C1(C)C ZINC000169369521 KK Annotated Mild COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)\C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(=O)C[C@H]32)C1(C)C ZINC000169369522 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169369551 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169369552 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169369554 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169369556 KK Annotated Mild COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000169369563 KK Annotated Clean C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC1 ZINC000169369566 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC1 ZINC000169369567 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)Nc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169369568 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)Nc3cccc4ccccc34)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169369569 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)CC/C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169369580 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)CC/C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169369581 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)CC/C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169369582 KK Annotated Anodyne Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169369594 KK Annotated Anodyne Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169369595 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)Nc3cccc(Oc4ccccc4)c3)C(=O)[C@@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169369662 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)Nc3cccc(Oc4ccccc4)c3)C(=O)[C@H]2NC(=O)[C@H](Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)NC(=O)OC(C)(C)C)cc1 ZINC000169369664 KK Annotated Anodyne CC[C@@H]1CCCN(CCc2c([C@@]3(C(=O)OC)CC[C@@H](C(=O)OC)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000169369694 KK Annotated Anodyne CC[C@H]1CCCN(CCc2c([C@@]3(C(=O)OC)CC[C@@H](C(=O)OC)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000169369695 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC1 ZINC000169369696 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC1 ZINC000169369697 KK Annotated Anodyne Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169369713 KK Annotated Anodyne Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169369715 KK Annotated Anodyne CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)O)c1 ZINC000169369759 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)O)c1 ZINC000169369760 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C[C@H](C2)[C@H]1CC ZINC000169369763 KK Annotated Anodyne CC[C@@H]1[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@@]45CCN4CC=C[C@@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2)C[C@@H]1CC ZINC000169369764 KK Annotated Anodyne COc1ccc(CC(=O)N2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CC[C@H](C)/C=C\C=C/CC/C(C)=C\C(=O)O3)O2)cc1 ZINC000169369805 KK Annotated Anodyne COc1ccc(CC(=O)N2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CC[C@H](C)/C=C/C=C\CC/C(C)=C\C(=O)O3)O2)cc1 ZINC000169369806 KK Annotated Anodyne C/C1=C/CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 ZINC000169369810 KK Annotated Reactive C/C1=C/CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 ZINC000169369811 KK Annotated Reactive CCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000169369813 KK Annotated Anodyne C=CCCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@@H](C)CC=C ZINC000169369817 KK Annotated Mild CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169369866 KK Annotated Anodyne CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169369867 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169369873 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000169369874 KK Annotated Anodyne C=C(C=O)[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)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C ZINC000169369931 KK Annotated Reactive C=C(C=O)[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)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C ZINC000169369933 KK Annotated Reactive C=C(C=O)[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)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C ZINC000169369934 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169370039 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169370040 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)CO)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169370109 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)CO)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169370111 KK Annotated Mild C=CC1=C(CC)/C2=C/c3[nH]c(c(CC)c3CC)/C=C3\N=C(/C=c4\[nH]/c(c(CC)c4CC)=C/[C@@H]1N2)C(CC)(CC)C3=O ZINC000169370120 KK Annotated Mild C=CC1=C(CC)/C2=C/c3[nH]c(c(CC)c3CC)/C=C3\N=C(/C=c4\[nH]/c(c(CC)c4CC)=C\[C@@H]1N2)C(CC)(CC)C3=O ZINC000169370121 KK Annotated Mild C=CC1=C(CC)/C2=C/c3[nH]c(c(CC)c3CC)/C=C3\N=C(/C=c4/[nH]/c(c(CC)c4CC)=C/[C@@H]1N2)C(CC)(CC)C3=O ZINC000169370122 KK Annotated Mild C=CC1=C(CC)/C2=C/c3[nH]c(c(CC)c3CC)/C=C3\N=C(/C=c4/[nH]/c(c(CC)c4CC)=C\[C@@H]1N2)C(CC)(CC)C3=O ZINC000169370123 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370126 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370127 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370129 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370130 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169370162 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000169370163 KK Annotated Reactive C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000169370180 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000169370181 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC1 ZINC000169370182 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC1 ZINC000169370183 KK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@@H]23)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000169370240 KK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@@H]23)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000169370241 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000169370277 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000169370278 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@](C)(O)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370298 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@](C)(O)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370299 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@](C)(O)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370300 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@](C)(O)C(=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370301 KK Annotated Anodyne CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169370319 KK Annotated Reactive CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169370320 KK Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370332 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370334 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370335 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370336 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000169370444 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000169370445 KK Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c1oc1c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000169370473 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@@H](O)[C@@H]1C)OC ZINC000169370547 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\C[C@@H](O)[C@@H]1C)OC ZINC000169370549 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C\C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@@H](O)[C@@H]1C)OC ZINC000169370551 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@@H](O)[C@@H]1C)OC ZINC000169370552 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370557 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370558 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370559 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370560 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370594 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370595 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370596 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370597 KK Annotated Mild CCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)Oc1c(OC)cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC ZINC000169370625 KK Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]34)cc2)cc1OC ZINC000169370664 KK Annotated Clean COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4C(=O)c5ccccc5C(=O)[C@@H]34)cc2)cc1OC ZINC000169370665 KK Annotated Clean O[C@H](CN1c2cccc(-c3ccc(OC(F)(F)F)cc3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000169370674 KK Annotated Mild CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169370706 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)\C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169370707 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C\C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169370708 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000169370709 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000169370715 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370721 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370722 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370723 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169370724 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C\CCC(=O)O1 ZINC000169370725 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C[C@H](O)[C@H](C)/C=C\CCC(=O)O1 ZINC000169370726 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C/[C@@H](O)C[C@H](O)[C@H](C)/C=C/CCC(=O)O1 ZINC000169370727 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169370740 KK Annotated Anodyne C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC ZINC000169370793 KK Annotated Mild C=C(C)[C@@]12O[C@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC ZINC000169370794 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC ZINC000169370795 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC ZINC000169370796 KK Annotated Mild COc1ccc(C(Nc2nc(O)c3ncn([C@H]4O[C@@H](COC(=O)[C@@H]5OC(C)(C)N(C(C)=O)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000169370798 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@H]4O[C@H](COC(=O)[C@@H]5OC(C)(C)N(C(C)=O)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000169370799 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000169370806 KK Annotated Anodyne CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169370829 KK Annotated Anodyne CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169370830 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCO)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370889 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCO)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370892 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCO)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370893 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCO)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370894 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SC)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370958 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SC)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370959 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370960 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SC)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169370961 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2cccs2)N(c2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000169370994 KK Annotated Clean O=C(CCN1CCC(O)CC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000169371057 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(COC(=O)CNC(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371105 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371188 KK Annotated Reactive CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169371192 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000169371194 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371216 KK Annotated Anodyne COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@]1(C)CC[C@@H]([C@@]3(C)CO3)[C@@H]6C1)C2=O ZINC000169371221 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@]431)O[C@]1(C)CC[C@H]([C@@]3(C)CO3)[C@@H]6C1)C2=O ZINC000169371222 KK Annotated Mild Clc1ccccc1CN[C@@H]1[C@@H]2N(Cc3ccccc3Cl)[C@@H]3[C@H](N1Cc1ccccc1Cl)N(Cc1ccccc1Cl)[C@@]1(C[C@@H]1N2Cc1ccccc1Cl)N3Cc1ccccc1Cl ZINC000169371236 KK Annotated Anodyne Clc1ccccc1CN[C@H]1[C@@H]2N(Cc3ccccc3Cl)[C@@H]3[C@H](N1Cc1ccccc1Cl)N(Cc1ccccc1Cl)[C@@]1(C[C@@H]1N2Cc1ccccc1Cl)N3Cc1ccccc1Cl ZINC000169371237 KK Annotated Anodyne Clc1ccccc1CN[C@@H]1[C@H]2N(Cc3ccccc3Cl)[C@@H]3[C@H](N1Cc1ccccc1Cl)N(Cc1ccccc1Cl)[C@@]1(C[C@@H]1N2Cc1ccccc1Cl)N3Cc1ccccc1Cl ZINC000169371238 KK Annotated Anodyne Clc1ccccc1CN[C@H]1[C@H]2N(Cc3ccccc3Cl)[C@@H]3[C@H](N1Cc1ccccc1Cl)N(Cc1ccccc1Cl)[C@@]1(C[C@@H]1N2Cc1ccccc1Cl)N3Cc1ccccc1Cl ZINC000169371240 KK Annotated Anodyne CCCCCCCCCCCCO[P@@](=O)(O)O[C@@H]1O[C@@H](C(N)=O)[C@@H](O)[C@@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000169371259 KK Annotated Mild CCCCCCCCCCCCO[P@@](=O)(O)O[C@H]1O[C@@H](C(N)=O)[C@@H](O)[C@@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000169371260 KK Annotated Mild CCCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000169371284 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000169371285 KK Annotated Reactive CCCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000169371287 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000169371288 KK Annotated Reactive C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371338 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371339 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371340 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000169371341 KK Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](O)[C@]2(O)C3=O ZINC000169371360 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](O)[C@@]2(O)C3=O ZINC000169371361 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](O)[C@@]2(O)C3=O ZINC000169371362 KK Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)CCCC[C@@H](C)[C@@H](O)C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000169371373 KK Annotated Anodyne C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC[C@@H]([C@@]3(C)CO3)[C@@H]6C1)C2=O)C(=O)O ZINC000169371389 KK Annotated Mild C/C(=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(CCC(C)(C)Cl)c5O[C@]431)O[C@]1(C)CC[C@H]([C@@]3(C)CO3)[C@@H]6C1)C2=O)C(=O)O ZINC000169371390 KK Annotated Mild CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CNC4CCC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccn4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169371399 KK Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3O[C@H](CNC4CC4)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4nccs4)C[C@@](O)([C@@H](OCc4ccccc4)[C@H]21)C3(C)C ZINC000169371491 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(C)=C/C(=O)OC ZINC000169371535 KK Annotated Anodyne Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C\CCCCN7CC[C@@H]4[C@]4(C[C@@H]8/C=C/CCC[C@@H](O5)N8[C@@H]64)C7)c-3nc12 ZINC000169371643 KK Annotated Anodyne Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C/CCCCN7CC[C@@H]4[C@]4(C[C@@H]8C=CCCC[C@@H](O5)N8[C@@H]64)C7)c-3nc12 ZINC000169371644 KK Annotated Anodyne Oc1cccc2c3cc[nH]c(C4=C[C@]56CC/C=C/CCCCN7CC[C@@H]4[C@]4(C[C@@H]8/C=C/CCC[C@@H](O5)N8[C@@H]64)C7)c-3nc12 ZINC000169371645 KK Annotated Anodyne CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169371663 KK Annotated Anodyne CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169371664 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3csc(C)n3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371685 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000169371686 KK Annotated Anodyne COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 ZINC000169371757 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169371769 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169371770 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169371771 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169371772 KK Annotated Anodyne CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@@H](CC(=O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169371780 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](CC(=O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169371781 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](CC(=O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169371782 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](CC(=O)O)O[C@@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169371783 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](O)[C@@H](CO)O[C@@H](OP(=O)(O)O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169371784 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OP(=O)(O)O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000169371785 KK Annotated Mild CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000169371798 KK Annotated Anodyne COc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000169371831 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371832 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371833 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371834 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371835 KK Annotated Mild C=C/C=C\[C@@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)C=C[C@H]1C ZINC000169371847 KK Annotated Anodyne C=C/C=C\[C@@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)C=C[C@H]1C ZINC000169371848 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371870 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371871 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371872 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169371873 KK Annotated Mild Cc1cc(=O)sc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169371889 KK Annotated Anodyne Cc1cc(=O)sc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169371890 KK Annotated Anodyne C1=C(c2[nH]ccc3c4ccccc4nc2-3)[C@@H]2CCN3CCCC/C=C\CC[C@]14O[C@@H]1CCC/C=C/[C@H]5C[C@@]2(C3)[C@H]4N51 ZINC000169371961 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C/CC[C@@]6(C=C(c7[nH]ccc8c9ccccc9nc7-8)[C@@H]3CC5)O[C@H](CCC1)N2[C@@H]64 ZINC000169371962 KK Annotated Anodyne C1=C(c2[nH]ccc3c4ccccc4nc2-3)[C@@H]2CCN3CCCC/C=C/CC[C@]14O[C@@H]1CCC/C=C/[C@H]5C[C@@]2(C3)[C@H]4N51 ZINC000169371963 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169371964 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C\C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169371965 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C/[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169371966 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C\C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000169371967 KK Annotated Mild CO[C@H](C(=O)O[C@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000169371968 KK Annotated Anodyne CO[C@H](C(=O)O[C@@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000169371969 KK Annotated Anodyne CO[C@@H](C(=O)O[C@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000169371970 KK Annotated Anodyne CO[C@@H](C(=O)O[C@@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000169371971 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl ZINC000169371997 KK Annotated Reactive CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000169372015 KK Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000169372018 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000169372099 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000169372100 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372143 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372144 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372145 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372146 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372147 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372148 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](Cl)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372149 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](Cl)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372150 KK Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372190 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372191 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372192 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372193 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169372213 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169372214 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169372215 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169372216 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](I)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372287 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](I)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372288 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](I)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372289 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](I)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372290 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](F)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372515 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](F)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372516 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](F)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372517 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](F)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372518 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OCOCCOC)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372519 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](OCOCCOC)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372520 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](OCOCCOC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372521 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](OCOCCOC)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169372522 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]2OC(=O)/C=C/c2ccccc2)C1(C)C ZINC000169372574 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372637 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372638 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372639 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372640 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169372658 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N2)O4 ZINC000169372659 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C\[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169372660 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N2)O4 ZINC000169372661 KK Annotated Anodyne Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000169372673 KK Annotated Clean Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000169372674 KK Annotated Clean Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000169372675 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372687 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372688 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372689 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372690 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372725 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372726 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372727 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372728 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372729 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372730 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372731 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372732 KK Annotated Anodyne CCCCCCO[C@H](C)c1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169372752 KK Annotated Bother CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372757 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372758 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372759 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372760 KK Annotated Anodyne CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)[C@@](C)(O)[C@]6(O)CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169372774 KK Annotated Bother Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169372813 KK Annotated Anodyne Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169372814 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000169372832 KK Annotated Bother COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](Cc3ccccc3)NC2=O)cc1Cl ZINC000169372838 KK Annotated Anodyne C[C@H]1CC[C@H]2[C@@](Cc3ccc(F)cc3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000169372843 KK Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](C[C@@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 ZINC000169372844 KK Annotated Reactive C[C@H]1CC[C@H]2[C@@](Cc3ccc(F)cc3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000169372845 KK Annotated Reactive C[C@H]1CC[C@H]2[C@@H](C[C@@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 ZINC000169372846 KK Annotated Reactive Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169372854 KK Annotated Anodyne Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169372855 KK Annotated Anodyne CCCCCC[C@@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 ZINC000169372877 KK Annotated Reactive CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 ZINC000169372878 KK Annotated Reactive CCCCCC[C@@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 ZINC000169372879 KK Annotated Reactive CCCCCC[C@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 ZINC000169372880 KK Annotated Reactive CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372914 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372915 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372916 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169372917 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372927 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372928 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169372929 KK Annotated Anodyne CC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O[P@@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2N=[N+]=[N-])cc1)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000169372934 KK Annotated Clean CC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2N=[N+]=[N-])cc1)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000169372935 KK Annotated Clean CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000169372945 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000169372946 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000169372947 KK Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@H]3O[C@@H]3[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C1)O2 ZINC000169372982 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000169372988 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000169372989 KK 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)Cc2csc4ccccc24)[C@@]13C(=O)O ZINC000169372990 KK Annotated Mild Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000169373026 KK Annotated Reactive Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000169373027 KK Annotated Reactive CCc1c(C)c2cc3nc(c(C(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@@]1(C)C5=CC=C(C(=O)OC)[C@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCCC(=O)OC)[C@@H]3C ZINC000169373032 KK Annotated Bother CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=CC1=O ZINC000169373052 KK Annotated Mild C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C/C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C1)O2 ZINC000169373057 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)NC2=O)cc1Cl ZINC000169373058 KK Annotated Anodyne CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373068 KK Annotated Anodyne CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373069 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](c3ccccc3)NC2=O)cc1Cl ZINC000169373104 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(Cl)cc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373139 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(Cl)cc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373140 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccccc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373141 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccccc5C[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373142 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373155 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373156 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(OC)cc5[C@@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373169 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(OC)cc5[C@@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373170 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(OC)cc5[C@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373171 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(OC)cc5[C@H](OC)[C@@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000169373172 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373176 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373177 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373178 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373179 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000169373180 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000169373181 KK 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)CCc2c[nH]c4ccccc24)[C@@]13C(=O)O ZINC000169373182 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc3ccccc3)NC2=O)cc1Cl ZINC000169373185 KK Annotated Anodyne CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000169373202 KK Annotated Mild CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000169373203 KK Annotated Mild CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000169373204 KK Annotated Mild CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000169373205 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373208 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373209 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373210 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169373211 KK Annotated Clean Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000169373219 KK Annotated Clean Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000169373220 KK Annotated Clean COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169373254 KK Annotated Anodyne COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000169373255 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C/C/C=C\C/C=C\CCC(=O)OC[C@@H]1C=CC(=O)[C@@H](CC2=CCCCC2)O1 ZINC000169373282 KK Annotated Mild CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c5[nH]c(cc6[nH]c(cc1n2)c(C)c6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000169373336 KK Annotated Bother CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373377 KK Annotated Anodyne CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373378 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C=C[C@@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000169373380 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C=C[C@@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000169373381 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]3C=C[C@@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000169373382 KK Annotated Anodyne CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)n(C(=O)c2ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]3C=C[C@@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c1=O ZINC000169373383 KK Annotated Anodyne C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@@H]6[C@H](O[C@H]7CC[C@H](CC(=O)C[C@H]8[C@H](C[C@H]9O[C@@H](CC[C@@H]1O2)C[C@@H](C)C9=C)O[C@H](C[C@H](O)CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]8OC)O[C@@H]7[C@@H]6O3)[C@H]5O4 ZINC000169373393 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CS(=O)(=O)c1ccc(Cl)cc1)[C@@H]3OC ZINC000169373394 KK Annotated Mild CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 ZINC000169373403 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000169373404 KK Annotated Reactive CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@@H]4C[C@@]2(CCOC(=O)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000169373405 KK 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)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000169373406 KK 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)c2ccc(Br)cc2)[C@@]13C(=O)O ZINC000169373407 KK Annotated Mild CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373423 KK Annotated Anodyne CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000169373424 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=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 ZINC000169373432 KK Annotated Mild CCCCCCCCCCCCCCCCC(=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 ZINC000169373433 KK Annotated Mild CCC(=O)OC[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C\[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1OC(=O)CC)C3(C)C ZINC000169373553 KK Annotated Mild CCN1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000169373563 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169373565 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169373566 KK Annotated Mild CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169373567 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169373568 KK Annotated Mild C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169373616 KK Annotated Mild C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169373617 KK Annotated Mild C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C\C=C\CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169373618 KK Annotated Mild C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C\[C@@H](O)CCC/C=C\C(=O)O1 ZINC000169373619 KK Annotated Mild C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CSCN12 ZINC000169377402 KK Annotated Mild c1cc2ccc1sc1ccc(cc1)sc1ccc(cc1)sc1ccc(cc1)sc1ccc(cc1)s2 ZINC000169396665 KK Annotated Bother CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)[C@@H]2[C@](C)(C1)c1c(oc2cc(C)cc(O)c12)[C@H]3O ZINC000169400510 KK Annotated Anodyne in-man CN1C[C@@H](c2cncc(-c3ccc(F)cc3)c2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169402811 KK Annotated Clean CN1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000169402829 KK Annotated Clean COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000169411814 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000169411839 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000169411861 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000169411880 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000169418163 KK Annotated Mild COc1cc(-c2c3n(c4c(=O)oc5cc(OC(C)=O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2OC(C)=O)ccc1OC(C)=O ZINC000169422550 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000169446784 KK Annotated Bother CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000169446801 KK Annotated Bother CC(=O)O[C@@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000169446808 KK Annotated Bother COc1ccc2c(c1OC)[C@@H](CC1=C[C@@H]3[C@@H](C(C)C)CC[C@@](C)(OC)[C@@H]3CC1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000169462330 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000169488105 KK Annotated Bother CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000169488122 KK Annotated Bother CC(=O)O[C@@H]1C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000169488134 KK Annotated Bother COc1ccc(C[C@]2(OC)Oc3c(c(OC)cc(OC)c3[C@]3(Cc4ccc(OC)cc4)Oc4cc(OC)cc(OC)c4C3=O)C2=O)cc1 ZINC000169501968 KK Annotated Anodyne O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@@H]2[C@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000169513042 KK Annotated Anodyne in-man CC(C)=CCC1(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)c2ccccc2)=C1O ZINC000169526663 KK Annotated Mild CC(C)C(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000169559962 KK Annotated Mild CC1(C)/C=C/C2=Nc3cc(Br)ccc3[C@@]23CC(=O)N3/C=C(/Cl)c2nc(Br)[nH]c21 ZINC000169559978 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(Br)c(Br)c(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2Br)cc1 ZINC000169593648 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=CC3=C(CCC4=C5C=C6C(=O)C(O)=C(C(C)C)[C@@]6(C)CC[C@]5(C)CCC4=O)C(=O)CC[C@@]3(C)CC[C@@]21C ZINC000169604940 KK Annotated Mild CCCC[C@H]1CCCCC[C@@H](C)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCCCC[C@@H](C)c2cc(O)c1c(O)c2 ZINC000169604946 KK Annotated Anodyne C[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000169615248 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000169615249 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000169615251 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@H](OC)/C=C\[C@H](C)[C@H](OC)C1 ZINC000169615284 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@H](OC)/C=C\[C@H](C)[C@H](OC)C1 ZINC000169615285 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C1 ZINC000169615286 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C1 ZINC000169615287 KK Annotated Anodyne CO[C@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615310 KK Annotated Anodyne CO[C@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615311 KK Annotated Anodyne CO[C@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615313 KK Annotated Anodyne CO[C@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615314 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@@H](OC)C1 ZINC000169615316 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@@H](OC)C1 ZINC000169615318 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@@H](OC)C1 ZINC000169615319 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@@H](OC)C1 ZINC000169615320 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000169615322 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000169615324 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000169615326 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000169615328 KK Annotated Anodyne C[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000169615338 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O1 ZINC000169615340 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000169615342 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@@H](C)C(=O)O1 ZINC000169615344 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000169615348 KK Annotated Anodyne C[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000169615368 KK Annotated Anodyne C[C@@H]1C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@@H]1O2 ZINC000169615370 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000169615372 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615376 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615378 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615380 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615382 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@H](C)[C@H]1OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000169615389 KK Annotated Anodyne 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CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(\C)C1 ZINC000169615461 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(/C)C1 ZINC000169615462 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(/C)C1 ZINC000169615463 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C1 ZINC000169615539 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C1 ZINC000169615541 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C1 ZINC000169615543 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000169615545 KK Annotated Anodyne O=c1c(OCc2cn([C@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000169615556 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H]1C ZINC000169615557 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H]1C ZINC000169615558 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H]1C ZINC000169615559 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@@H](OC)C1 ZINC000169615569 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@@H](OC)C1 ZINC000169615570 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@@H](OC)C1 ZINC000169615571 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@@H](OC)C1 ZINC000169615572 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H]1C ZINC000169615574 KK Annotated Anodyne O=C(OCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 ZINC000169615578 KK Annotated Reactive O=C(OCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 ZINC000169615580 KK Annotated Reactive COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000169615582 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@H](C)[C@H]1OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@@H]1C ZINC000169615590 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@@H]([C@@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C1 ZINC000169615598 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@@H]([C@@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C1 ZINC000169615599 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@@H]([C@@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615600 KK Annotated Anodyne CO[C@@H]1/C=C\[C@H](C)[C@@H]([C@@H](C)[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000169615601 KK Annotated Anodyne c1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc(s3)c(-c3ccc(OCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(n3)c(-c3ccccc3)c3ccc2s3)cc1 ZINC000169615610 KK Annotated Reactive CO[C@@H](CC(=O)O)[C@@H](C)C(=O)CC[C@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H]1C ZINC000169616819 KK Annotated Anodyne CO[C@@H](CC(=O)O)[C@@H](C)C(=O)CC[C@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H]1C ZINC000169616820 KK Annotated Anodyne CO[C@@H](CC(=O)O)[C@@H](C)C(=O)CC[C@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H]1C ZINC000169616821 KK Annotated Anodyne CO[C@@H](CC(=O)O)[C@@H](C)C(=O)CC[C@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H]1C ZINC000169616822 KK Annotated Anodyne CO[C@H]([C@H](C)[C@H]1OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC ZINC000169616864 KK Annotated Anodyne CO[C@H]([C@H](C)[C@H]1OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC ZINC000169616865 KK Annotated Anodyne CO[C@H]([C@H](C)[C@H]1OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC ZINC000169616866 KK Annotated Anodyne CO[C@H]([C@H](C)[C@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC ZINC000169616867 KK Annotated Anodyne C[CH][C@H](OC)[C@@H](C)[C@H]1OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H]1C ZINC000169616870 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)[C@@H](C)[C@H]1OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H]1C ZINC000169616871 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)[C@@H](C)[C@H]1OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H]1C ZINC000169616872 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)[C@@H](C)[C@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H]1C ZINC000169616873 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C1 ZINC000169616918 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(/C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C1 ZINC000169616919 KK Annotated Anodyne CO[C@@H]1/C=C/[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C1 ZINC000169616920 KK Annotated Anodyne CO[C@@H]1/C=C\[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](CC(=O)O)OC)OC(=O)/C=C\C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@@H](OC)C1 ZINC000169616921 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(\C)C1 ZINC000169616922 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(/C)C1 ZINC000169616923 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(/C)C1 ZINC000169616924 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C\[C@H](C)[C@H](OC)C[C@@H](OC)/C=C\[C@@H](C)[C@H]([C@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000169616926 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O ZINC000169621195 KK Annotated Mild world CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000169621196 KK Annotated Mild world CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O ZINC000169621197 KK Annotated Mild world CO[C@@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](C)CC(=O)CCC[C@@H](O)CC(=O)O[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)/C=C/N(C)CO)[C@H]1C ZINC000169621235 KK Annotated Anodyne in-vivo CO[C@@H]([C@H](C)/C=C/N(C)CO)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@H]1OC(=O)C[C@H](O[C@@H](N)O)C[C@@H](C)C[C@H](O)[C@@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)OC ZINC000169621239 KK Annotated Anodyne in-vivo CO[C@H](C/C=C/N(C)CO)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@H]1OC(=O)C[C@H](O)C[C@@H](O)CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000169621241 KK Annotated Anodyne in-vivo CO[C@@H]1/C=C/[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C1 ZINC000169621246 KK Annotated Anodyne in-vivo CCCCCCCC[C@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O ZINC000169621800 KK Annotated Reactive CCCCCCCC[C@@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O ZINC000169621801 KK Annotated Reactive CCCCCCCC[C@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O ZINC000169621802 KK Annotated Reactive CCCCCCCC[C@@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O ZINC000169621803 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000169621804 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000169621805 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000169621806 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000169621807 KK Annotated Reactive CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621808 KK Annotated Reactive CCCCCC[C@@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621809 KK Annotated Reactive CCCCCC[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621810 KK Annotated Reactive CCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621811 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621812 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621813 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621814 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621815 KK Annotated Reactive CCCCCC[C@H](Cl)C[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621816 KK Annotated Reactive CCCCCC[C@@H](Cl)C[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621817 KK Annotated Reactive CCCCCC[C@H](Cl)C[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621818 KK Annotated Reactive CCCCCC[C@@H](Cl)C[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621819 KK Annotated Reactive CCCCCCCC[C@@H](CCCCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O)OS(=O)(=O)O ZINC000169621820 KK Annotated Mild CCCCCCCC[C@H](CCCCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O)OS(=O)(=O)O ZINC000169621821 KK Annotated Mild CCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O ZINC000169621822 KK Annotated Reactive CCCCCCCCC[C@@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O ZINC000169621823 KK Annotated Reactive CCCCCCCCC[C@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O ZINC000169621824 KK Annotated Reactive CCCCCCCCC[C@@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O ZINC000169621825 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O ZINC000169621826 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O ZINC000169621827 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O ZINC000169621828 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O ZINC000169621829 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621830 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621831 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621832 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000169621833 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000169621834 KK Annotated Reactive CCCCCCCC[C@@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000169621835 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000169621836 KK Annotated Reactive CCCCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000169621837 KK Annotated Reactive CCCCCCC/C=C/C(=O)O[C@@H]1[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]1O ZINC000169622913 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@@H]1[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@@H]1O ZINC000169622914 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@@H]1[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@H](C)[C@H](O)[C@H]1O ZINC000169622915 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@@H]1[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@H](C)[C@H](O)[C@@H]1O ZINC000169622916 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@@H]1[C@@H](O[C@@H]2[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@H]1O ZINC000169622925 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](C)O[C@@H]1O[C@@H]1[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]1O ZINC000169622926 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@@H]1[C@@H](O[C@@H]2[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@H](C)[C@H](O)[C@H]1O ZINC000169622927 KK Annotated Mild CCCCCCC/C=C/C(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](C)O[C@@H]1O[C@@H]1[C@@H](O[C@@H](CCCCCCC)CC(=O)O[C@@H](CCCCCCC)CC(=O)O)O[C@@H](C)[C@H](O)[C@H]1O ZINC000169622928 KK Annotated Mild CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169623064 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169623065 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@@](=O)(O)OC[C@H](O)COS(=O)(=O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169627024 KK Annotated Anodyne C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627570 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCC[C@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627571 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627572 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCCCC[C@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627573 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627574 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627575 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627576 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COCCCCCCCC[C@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627577 KK Annotated Bother CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169627578 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627584 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627585 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627586 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169627587 KK Annotated Bother NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628172 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628173 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628174 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628175 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628176 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628177 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628178 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628179 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628180 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628181 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628182 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628183 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628184 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628185 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628186 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628187 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628198 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628199 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628200 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628201 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628202 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628203 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628204 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628205 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628206 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628207 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628208 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628209 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628210 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628211 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628212 KK Annotated Anodyne NCCO[P@](=O)(O)OC[C@@H](COC(=O)CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169628213 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630270 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630271 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630272 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630273 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630274 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630275 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630276 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630277 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630278 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630279 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630280 KK Annotated Anodyne O=[P@](O)(OC[C@@H](O)CO)OC[C@@H](COCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630281 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630282 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630283 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630284 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630285 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169630286 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCC[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169630287 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169630288 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630323 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630324 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630325 KK Annotated Anodyne O=C(CCCCC[C@@H]1C[C@H]2[C@H]3[C@H]4[C@H]5CC[C@@H]5[C@@H]4[C@@H]3[C@H]12)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630326 KK Annotated Anodyne O=C(CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630327 KK Annotated Anodyne O=C(CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630328 KK Annotated Anodyne O=C(CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630329 KK Annotated Anodyne O=C(CCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630330 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630331 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630332 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630333 KK Annotated Anodyne O=C(CCCCCCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21)OC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21 ZINC000169630334 KK Annotated Anodyne CO[P@](=O)(O)OC[C@@H](O)CO[P@](=O)(O)OC[C@H](COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000169630335 KK Annotated Anodyne CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H](COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O ZINC000169632468 KK Annotated Anodyne CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H](COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O ZINC000169632469 KK Annotated Anodyne O=C1CCC[C@@H]2C[C@@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c3c2O[C@@H](c2ccccc2)CC3=O)O1 ZINC000169636425 KK Annotated Anodyne O=C1CCC[C@@H]2C[C@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c3c2O[C@@H](c2ccccc2)CC3=O)O1 ZINC000169636426 KK Annotated Anodyne O=C1CCC[C@@H]2C[C@@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1 ZINC000169636427 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000169636607 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000169636608 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000169636609 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000169636610 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636611 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636612 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636613 KK Annotated Mild CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000169636614 KK Annotated Mild CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000169636615 KK Annotated Mild CCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000169636616 KK 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=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1 ZINC000169636617 KK 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=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000169636618 KK 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=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000169636619 KK 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=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C1 ZINC000169636620 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636621 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636622 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636623 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636624 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636625 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636626 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636627 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000169636628 KK Annotated Bother 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=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O ZINC000169636629 KK Annotated Bother 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=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169636630 KK Annotated Bother 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=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O ZINC000169636631 KK Annotated Bother CCCCCCCCC/C=C/C(=O)OCC(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H]1C(C)=C[C@@H](O)CC1(C)C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000169636632 KK Annotated Mild CCCCCCCCC/C=C/C(=O)OC/C(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000169636633 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000169636634 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000169636635 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000169636636 KK Annotated Bother CCCCCCCCCCCC(=O)O[C@H]1O[C@@H](OC(C)(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/c2c(C)ccc(C)c2C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169636637 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1O[C@@H](OC(C)(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/c2c(C)ccc(C)c2C)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000169636638 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1O[C@@H](OC(C)(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/c2c(C)ccc(C)c2C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000169636639 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1O[C@@H](OC(C)(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/c2c(C)ccc(C)c2C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000169636640 KK 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=C/C=C(\C)CCCC(C)(C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000169636644 KK 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=C/C=C(\C)CCCC(C)(C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000169636645 KK 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=C/C=C(C)/C=C/[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000169636646 KK 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=C/C=C(C)/C=C/[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000169636647 KK 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=C/C=C(C)/C=C/[C@H](O)C(C)(C)O[C@H]2O[C@@H](COCCCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000169636648 KK 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=C/C=C(C)/C=C/[C@H](O)C(C)(C)O[C@@H]2O[C@@H](COCCCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000169636649 KK 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=C/C=C(C)/C=C/[C@H](O)C(C)(C)O[C@H]2O[C@@H](COCCCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000169636650 KK 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=C/C=C(C)/C=C/[C@H](O)C(C)(C)O[C@@H]2O[C@@H](COCCCCCCCCCCCCC(C)C)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000169636651 KK Annotated Mild CCCCCCCCCCCCC(=O)OC/C(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)=C[C@H](O)CC1(C)C)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000169636652 KK Annotated Mild CCCCCCCCCCCCC(=O)OC/C(=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)=C[C@H](O)CC1(C)C)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000169636653 KK Annotated Mild CC(C)=CC[C@H]1CC=C(C)[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CC[C@@H](CC=C(C)C)C2(C)C)C1(C)C ZINC000169636660 KK Annotated Bother CC(C)=CC[C@@H]1CC=C(C)[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CC[C@@H](CC=C(C)C)C2(C)C)C1(C)C ZINC000169636661 KK Annotated Bother CC(C)=CC[C@H]1CC=C(C)[C@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CC[C@@H](CC=C(C)C)C2(C)C)C1(C)C ZINC000169636662 KK Annotated Bother CC(C)=CC[C@@H]1CC=C(C)[C@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CC[C@@H](CC=C(C)C)C2(C)C)C1(C)C ZINC000169636663 KK Annotated Bother CC1=C(C/C=C(\C)CCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COS(=O)(=O)O)C(=O)c2ccccc2C1=O ZINC000169636665 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)COS(=O)(=O)O)C(=O)c2ccccc2C1=O ZINC000169636666 KK Annotated Mild CCCCCCC/C=C/C=C/CC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)/C=C/CCCCCCCCC[C@@H](C)CCCC ZINC000169636917 KK Annotated Mild CCCCCCC/C=C/C=C/CC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)/C=C/CCCCCCCCC[C@H](C)CCCC ZINC000169636918 KK Annotated Mild CSC(=O)CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@]1(C)C(=CC(=O)C[C@@H]1OC(C)=O)C[C@H]3O ZINC000169637885 KK Annotated Mild C[C@H]([C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@@]21C ZINC000169637996 KK Annotated Mild CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@@H]4O[C@@]43[C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@@H]21 ZINC000169638176 KK Annotated Mild C=CC(C)(C)N1C(=O)[C@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@@H]4O[C@H](C(C)(C)O)CC[C@]43C)C2=C)c2ccccc21 ZINC000169638423 KK Annotated Mild CO[C@@H]1CC2=C(CC[C@@]3(C(=O)O)CCC(C)(C)[C@@H](O)[C@@H]23)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@@H](O)[C@]3(C)C(=O)O)[C@H]2C1 ZINC000169639447 KK Annotated Anodyne CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000169640258 KK Annotated Reactive C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@@H]6[C@@H]7C[C@@]5(CC[C@]34C)OO[C@@H]7CC(=O)OC6(C)C)O2)OC1=O ZINC000169640259 KK Annotated Reactive COc1cc2c(cc1C[C@@H]1[C@@H]3C[C@H]4c5c(c6ccccc6n5C)C[C@@H]([C@@H]3CO[C@]1(C)O)N4C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000169640799 KK Annotated Mild C=C(C)[C@H]1CC[C@]2(C)C[C@H]1c1c(c(C)cc3c1[nH]c1c([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc13)O2 ZINC000169641880 KK Annotated Mild CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC4 ZINC000169642697 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2C[C@@H]1C[C@@]31C(=O)Oc2cc3c(cc21)CC[C@H]1C(C)(C)CCC[C@]31C ZINC000169643200 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C=C(C)C)[C@@]4(CC[C@]23C)C[C@H](O)OC4=O)C1(C)C ZINC000169645085 KK Annotated Anodyne CC[C@@H](c1cc(OC)c(OC)cc1OC)[C@H](C)[C@@H](/C(C)=C/c1cc(OC)c(OC)cc1OC)c1cc(OC)c(OC)cc1OC ZINC000169646057 KK Annotated Anodyne CC[C@H]1[C@@H](C)[C@@H](c2cc(OC)c(OC)cc2OC)[C@H](C)[C@@H](c2cc(OC)c(OC)cc2OC)[C@@]12C=C(OC)C(=O)C=C2OC ZINC000169646058 KK Annotated Mild COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc(OC)c4c(O)c5c(=O)cc(C)oc5cc34)c2c1 ZINC000169646483 KK Annotated Bother COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc(OC)c4c(O)c5c(=O)cc(C)oc5cc34)c2c1 ZINC000169646485 KK Annotated Bother C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)C(=O)O)[C@](C)(CC(=O)O)C3=CC[C@]12C)C(=O)O ZINC000169646517 KK Annotated Anodyne C[C@]12C[C@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@H]1[C@H]1C(=O)C[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O ZINC000169646761 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CCC(=O)[C@@H](C)CC[C@H]2O[C@@H]1C[C@]2(C)O ZINC000169646896 KK Annotated Anodyne CC(=O)Oc1c(Br)c(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C ZINC000169647746 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](C(=O)OC)[C@@H]1OC[C@H]2[C@H]3C[C@@H]4N(CC[C@@]45c4ccccc4N1[C@@H]25)C[C@H]3CC ZINC000169648999 KK Annotated Anodyne in-vitro CC(C)[C@@H]1OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc(n2)[C@H](O)COC(=O)c2csc1n2 ZINC000169650424 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000169651931 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1C=C(C)/C1=C/C[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000169652837 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C[C@@H](OC(C)=O)/C=C/[C@H](C)[C@H](C(C)C)OC(=O)/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@H](OC(C)=O)C[C@H](OC(C)=O)C[C@H](OC(C)=O)C[C@@H](OC(C)=O)C1 ZINC000169653894 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2C[C@@]3([C@@]45C[C@H]6CC[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@]6(C)CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000169658008 KK Annotated Anodyne C=C1CC[C@H]2CC=C(C)[C@@H](C[C@H]3C(=C)CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]34C)[C@]2(C(=O)O)CC[C@@H]2[C@@H]1CC2(C)C ZINC000169660094 KK Annotated Mild CC[C@H]1/C=C/[C@@H]([C@@H](O)C=C(C)C)OC(=O)/C(C)=C\CC(=O)Nc2cc(O)cc3c2O[C@@]2(CC1)CC(=O)[C@@H](C)[C@@H]3O2 ZINC000169660183 KK Annotated Anodyne C=C1CC[C@H]2O[C@H]1CC/C(C)=C/[C@H]1C(=C(C)C[C@@H]3C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@]13C(=O)OC)[C@@H](O)C[C@]2(C)O ZINC000169661308 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)[C@H]2c1c(OC(C)=O)cc(OC(C)=O)c2c1O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)C2 ZINC000169663214 KK Annotated Anodyne C=C[C@@]1(C)CC[C@@]2(C)[C@@H](CC[C@]3(C)C4=C(CC[C@@H]32)O[C@@]2(CC4)C(=O)CC[C@@H]3[C@@]4(C)CC[C@](C)(C=C)C[C@@H]4CC[C@@]32C)C1 ZINC000169663508 KK Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccc(O)c([C@@H]3C[C@@]4(CC)CCCN5CCc6c(n3c3ccccc63)[C@H]54)c12 ZINC000169664313 KK Annotated Clean CC(C)=CCC1(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)c2ccccc2)=C1O ZINC000169664496 KK Annotated Mild CCCCNC(=O)[C@H](CC)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000169665121 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCc2c[nH]c3ccccc23)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000169665122 KK Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@H]1C=CC(=O)N4c5ccccc5[C@@]3(C[C@@H]2C2=C[C@@H]3[C@@H]5N(C2=O)c2ccccc2[C@@]52CCN5C/C(=C/C)[C@@H]3C[C@H]52)[C@H]14 ZINC000169666486 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12C[C@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000169667472 KK Annotated Mild CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000169669760 KK Annotated Anodyne in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)[C@H](O)[C@@H]1O)O[C@]1(C3)C[C@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000169670747 KK Annotated Anodyne C=CC(C)(C)c1cc2c3c4c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@H]1Oc2c5c(c(C(C)(C)C=C)c6oc(=O)c(C(C)(C)C=C)cc26)OC(C)(C)[C@@H](O3)[C@H]5[C@@H]41 ZINC000169671310 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]23O[C@]45C(=O)N/C(=C\c6c(C(C)(C)C=C)[nH]c7ccccc67)C(=O)N4CC[C@@H]5[C@H]2CCN3C1=O ZINC000169672214 KK Annotated Mild COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](C)(C[C@H](C)[C@@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]5(C)C[C@]43OC5=O)[C@@H]2CC1=O ZINC000169674337 KK Annotated Mild C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@H]1O[C@H]3c4c(c(C(C)(C)C=C)c5oc(=O)ccc5c4O)OC(C)(C)[C@H]3[C@@H]1C(C)(C)O2 ZINC000169674359 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)C[C@]1(C)[C@]2(O)/C(=C(/O)c1ccccc1)C3=O ZINC000169674470 KK Annotated Mild C/C1=C/CCC2=C[C@@H](C/C(C)=C/CC3=CC(=O)C(=CC3=O)C1)[C@]1(C=O)C[C@@H]3C=C4CC/C=C(/C)CC5=CC(=O)[C@@]3(C[C@@H]1C2)[C@H](C4)C5=O ZINC000169674641 KK Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2[C@@H](O[C@@H]2O[C@@H](O)[C@@H]4C(C)(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4(C)[C@@]45O[C@@H]4C[C@@H]4C[C@]25C(=O)[C@@H]4C)C[C@@H]1C3 ZINC000169674648 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H]4C(C)(C)[C@H](C(C)C)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000169675074 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C/[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O ZINC000169676936 KK Annotated Mild in-man CO[C@H]1C[C@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C/C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O ZINC000169676937 KK Annotated Mild in-man CO[C@H]1C[C@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O ZINC000169676938 KK Annotated Mild in-man CO[C@H]1C[C@H](O[C@@H]2/C(C)=C\C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C/C=C/[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O ZINC000169676939 KK Annotated Mild in-man CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169676945 KK Annotated Anodyne in-man CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(/C)C(=O)N1)O4 ZINC000169676946 KK Annotated Anodyne in-man CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169676947 KK Annotated Anodyne in-man CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)C(=O)N1)O4 ZINC000169676948 KK Annotated Anodyne in-man CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](OCCc3ccc(N(C)S(C)(=O)=O)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000169676987 KK Annotated Anodyne in-man CCN(CC)/C(C)=N/N=C/c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169677004 KK Annotated Mild in-man CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169677033 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000169677037 KK Annotated Anodyne CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169682082 KK Annotated Anodyne in-man CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169682083 KK Annotated Anodyne in-man CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169682084 KK Annotated Anodyne in-man CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@](C)(O/C=C/[C@@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000169682085 KK Annotated Anodyne in-man C[C@H]([C@H](O)[C@H](O)[C@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000169684317 KK Annotated Anodyne C[C@H]([C@H](O)[C@@H](O)[C@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000169684318 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@H]2O ZINC000169684593 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@H]2O ZINC000169684594 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@H]2O ZINC000169684595 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@@H](c1ccccc1)c1c(O)c3cc(CCCCCC)c(O)cc3oc1=O)[C@H]2O ZINC000169684596 KK Annotated Anodyne O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccc(C([C@@H]2C(=O)C(=O)c3ccccc3C2=O)[C@@H]2C(=O)C(=O)c3ccccc3C2=O)cc1)c1c(O)c(O)c2ccccc2c1O ZINC000169684597 KK Annotated Mild O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccc(C([C@@H]2C(=O)C(=O)c3ccccc3C2=O)[C@H]2C(=O)C(=O)c3ccccc3C2=O)cc1)c1c(O)c(O)c2ccccc2c1O ZINC000169684598 KK Annotated Mild O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccc(C([C@H]2C(=O)C(=O)c3ccccc3C2=O)[C@H]2C(=O)C(=O)c3ccccc3C2=O)cc1)c1c(O)c(O)c2ccccc2c1O ZINC000169684599 KK Annotated Mild O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccc(Cl)cc1Cl)c1c(O)c(O)c2ccccc2c1O ZINC000169684600 KK Annotated Mild C[C@@H](CNC(=O)c1cnc(C#N)nc1N1CC[C@H](S(=O)(=O)c2ccc(N3CCN(C(C)(C)C)CC3)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000169684979 KK Annotated Mild C[C@H](CNC(=O)c1cnc(C#N)nc1N1CC[C@H](S(=O)(=O)c2ccc(N3CCN(C(C)(C)C)CC3)cc2Cl)C1)c1ccc(Cl)cc1 ZINC000169684981 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1C/C=C/CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685321 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCC/C=C\C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685323 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCC/C=C\C[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685324 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C\CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169685325 KK Annotated Anodyne CC(=O)N1CCC[C@@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000169685384 KK Annotated Anodyne CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC/N=C/O[C@@H]2CCCCO2)s1 ZINC000169685394 KK Annotated Mild CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2OCCC/N=C/O[C@H]2CCCCO2)s1 ZINC000169685395 KK Annotated Mild CC(C)(C)CO/C=N/CCCOc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000169685396 KK Annotated Mild COc1ccc(NC(=O)c2nc3ccccc3n([C@]3(C)C[C@@H]4CC[C@H](C3)N4C3CCCCCCC3)c2=O)cn1 ZINC000169685507 KK Annotated Anodyne N/C(c1cc(Cl)cc(Cl)c1)=[N+](/N)S(=O)(=O)c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2Cl)c(Cl)c1 ZINC000169685740 KK Annotated Mild COc1ccc(F)c(CCC[C@@H]2CC[C@@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@@H]4CC=CC[C@@H]4C3=O)O2)c1 ZINC000169686340 KK Annotated Anodyne COc1ccc(F)c(CCC[C@H]2CC[C@@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@@H]4CC=CC[C@@H]4C3=O)O2)c1 ZINC000169686341 KK Annotated Anodyne COc1ccc(F)c(CCC[C@@H]2CC[C@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@@H]4CC=CC[C@@H]4C3=O)O2)c1 ZINC000169686342 KK Annotated Anodyne COc1ccc(F)c(CCC[C@H]2CC[C@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@@H]4CC=CC[C@@H]4C3=O)O2)c1 ZINC000169686343 KK Annotated Anodyne CCC[C@@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169686598 KK Annotated Anodyne CCC[C@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169686599 KK Annotated Anodyne CCC[C@@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169686600 KK Annotated Anodyne CCC[C@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169686601 KK Annotated Anodyne CC(C)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(/N=N/c3c(O)n(-c4ccccc4)n(-c4ccccc4)c3=O)cc2)cc1 ZINC000169686679 KK Annotated Clean Cc1c(C(=O)NCCCN2CCCC2)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CC(F)(F)F)c12 ZINC000169686765 KK Annotated Anodyne Cc1c(C(=O)NCCCN2CCCC2)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CC(F)(F)F)c12 ZINC000169686766 KK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=S)c1/C=N/c1c(Br)cc(Br)cc1Br ZINC000169686842 KK Annotated Mild CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CCC(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000169686896 KK Annotated Anodyne CCCCCCC(=O)N(CCc1cccc(OC)c1)C[C@@H](O)[C@@H](NC(=O)Cn1c(O)csc1=S)c1ccccc1 ZINC000169687027 KK Annotated Anodyne CCCCCCC(=O)N(CCc1cccc(OC)c1)C[C@H](O)[C@@H](NC(=O)Cn1c(O)csc1=S)c1ccccc1 ZINC000169687029 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Cl)c1C/N=N/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] ZINC000169687571 KK Annotated Clean CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687706 KK Annotated Reactive CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687707 KK Annotated Reactive CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687708 KK Annotated Reactive CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687717 KK Annotated Reactive CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687718 KK Annotated Reactive CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687719 KK Annotated Reactive CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000169687720 KK Annotated Reactive COc1cc(F)c(-c2ccc(-c3n[nH]c(=O)o3)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169687796 KK Annotated Mild COc1cc(F)c(-c2ccc(-c3nnc(N)o3)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169687797 KK Annotated Mild COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)[C@@H](C#N)[C@@H]1c1ccco1 ZINC000169687813 KK Annotated Mild COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)[C@H](C#N)[C@@H]1c1ccco1 ZINC000169687814 KK Annotated Mild COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)[C@@H](C#N)[C@H]1c1ccco1 ZINC000169687815 KK Annotated Mild COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)[C@H](C#N)[C@H]1c1ccco1 ZINC000169687816 KK Annotated Mild Cc1ccc(-n2[nH]c(C)c(C(c3ccccc3O)c3c(C)[nH]n(-c4ccc(C)cc4C)c3=O)c2=O)c(C)c1 ZINC000169688052 KK Annotated Anodyne O=C(NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccnc(N2CCCCC2)c1 ZINC000169688243 KK Annotated Anodyne Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(OC(C)C)c2)O3)s1 ZINC000169688252 KK Annotated Anodyne Cc1noc(C)c1CCNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(OC(C)C)c2)O3)s1 ZINC000169688253 KK Annotated Anodyne CCN(CC)CCOC(=O)c1ccc(/N=C/[C@@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000169688721 KK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@H](C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000169688722 KK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@@H](C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000169688734 KK Annotated Mild CCN(CC)CCOC(=O)c1ccc(/N=C/[C@H](C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000169688735 KK Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1 ZINC000169688985 KK Annotated Bother O=C1[C@@H]2C(=NC(=S)N[C@@H]2c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000169689435 KK Annotated Anodyne O=C1[C@@H]2C(=NC(=S)N[C@H]2c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000169689436 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@H]([C@H]3C2=O)[C@H]2C=C[C@H]4[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 ZINC000169689461 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@H]([C@H]3C2=O)[C@H]2C=C[C@@H]4[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]23)cc1 ZINC000169689462 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@@H]([C@@H]5C=C[C@H]4[C@H]4C(=O)N(c6ccc(C)cc6)C(=O)[C@H]54)[C@H]3C2=O)cc1 ZINC000169689463 KK Annotated Anodyne Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1 ZINC000169689468 KK Annotated Anodyne Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H]4CCC=C34)cc2)c(Br)c1 ZINC000169689479 KK Annotated Reactive Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@H]4CCC=C34)cc2)c(Br)c1 ZINC000169689480 KK Annotated Reactive Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2/N=N/Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1 ZINC000169689820 KK Annotated Clean O=C1c2ccccc2C(=O)C1C1=N[C@@H](c2ccccn2)c2c1c(O)n(-c1ccc(Cl)cc1Cl)c2O ZINC000169689830 KK Annotated Clean O=C1c2ccccc2C(=O)C1C1=N[C@H](c2ccccn2)c2c1c(O)n(-c1ccc(Cl)cc1Cl)c2O ZINC000169689831 KK Annotated Clean Cc1ccc(/N=C2\SC(C(=O)Nc3ccc(OC(F)(F)F)cc3)=C(N)[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000169690460 KK Annotated Mild Cc1ccc(/N=C2\SC(C(=O)Nc3ccc(OC(F)(F)F)cc3)=C(N)[C@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000169690461 KK Annotated Mild Cc1ccc(-n2[nH]c(C)c(C(c3cccc(O)c3)c3c(C)[nH]n(-c4ccc(C)c(C)c4)c3=O)c2=O)cc1C ZINC000169691079 KK Annotated Anodyne Cc1ccc(-n2[nH]c(C)c(C(c3cccc(O)c3)c3c(C)[nH]n(-c4ccc(C)cc4C)c3=O)c2=O)c(C)c1 ZINC000169691084 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@H]([C@H]3C2=O)[C@H]2C=C[C@H]4[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c(C)c1 ZINC000169691185 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@H]([C@H]3C2=O)[C@H]2C=C[C@@H]4[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]23)c(C)c1 ZINC000169691186 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@@H]([C@@H]5C=C[C@H]4[C@H]4C(=O)N(c6ccc(C)cc6C)C(=O)[C@H]54)[C@H]3C2=O)c(C)c1 ZINC000169691187 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@@H]([C@@H]5C=C[C@@H]4[C@H]4C(=O)N(c6ccc(C)cc6C)C(=O)[C@H]54)[C@H]3C2=O)c(C)c1 ZINC000169691188 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000169691189 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000169691190 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000169691191 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000169691192 KK Annotated Anodyne COc1ccccc1NC(=O)[C@@H]1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000169691200 KK Annotated Mild COc1ccccc1NC(=O)[C@H]1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000169691201 KK Annotated Mild COc1ccccc1NC(=O)[C@@H]1C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000169691202 KK Annotated Mild COc1ccccc1NC(=O)[C@H]1C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000169691203 KK Annotated Mild CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169691857 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000169691858 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169691859 KK Annotated Anodyne COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N(c3sc4c(c3C#N)CCCC4)C(=N)[C@@H]2C#N)cc(OC)c1OC ZINC000169692301 KK Annotated Mild COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N(c3sc4c(c3C#N)CCCC4)C(=N)[C@@H]2C#N)cc(OC)c1OC ZINC000169692302 KK Annotated Mild COc1ccc(-n2c(O)cc(N(CCc3ccc(OC)c(OC)c3)C(=S)Nc3ccccc3)c2O)cc1 ZINC000169692346 KK Annotated Anodyne CCOc1ccc(-n2c(O)cc(N(CCc3ccc(OC)c(OC)c3)C(=S)Nc3ccccc3)c2O)cc1 ZINC000169692347 KK Annotated Anodyne CC(C)/N=C(/N)c1ccc2nc(C3[C@H](c4ccccc4)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)[C@H]3c3ccccc3)[nH]c2c1 ZINC000169692557 KK Annotated Mild CC(C)/N=C(/N)c1ccc2nc(C3[C@@H](c4ccccc4Cl)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)[C@H]3c3ccccc3Cl)[nH]c2c1 ZINC000169692558 KK Annotated Mild C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@H]54)[C@H]69 ZINC000169692878 KK Annotated Mild O=[N+]([O-])c1ccc(/N=N/[CH-]c2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000169693155 KK Annotated Clean Cc1nn(-c2ccccc2)c(Cl)c1[CH-]/N=N/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1[N+](=O)[O-] ZINC000169693185 KK Annotated Clean COc1cc(/C=C2\CC[C@@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)[C@@H](C#N)C(=N)O[C@@H]32)cc(OC)c1OC ZINC000169693339 KK Annotated Mild COc1cc(/C=C2\CC[C@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)[C@@H](C#N)C(=N)O[C@@H]32)cc(OC)c1OC ZINC000169693340 KK Annotated Mild N#[N+]Nc1c(F)c(F)c(COCCCCC[C@@H](O)CN2CCN(C[C@H](O)CCCCCOc3ccc(I)cc3)CC2)c(F)c1F ZINC000169693595 KK Annotated Anodyne CCOCCCN1C(=O)C(=O)[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Oc1ccccc1 ZINC000169693723 KK Annotated Anodyne CCOCCCN1C(=O)C(=O)[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Oc1ccccc1 ZINC000169693724 KK Annotated Anodyne CCOCCCN1C(=O)C(=O)[C@@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Oc1ccccc1 ZINC000169693725 KK Annotated Anodyne CCOCCCN1C(=O)C(=O)[C@H](C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Oc1ccccc1 ZINC000169693726 KK Annotated Anodyne CCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000169693792 KK Annotated Anodyne CCOC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000169693793 KK Annotated Anodyne CCOC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000169693794 KK Annotated Anodyne CCOC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000169693795 KK Annotated Anodyne C#CCN(C[C@@H]1c2c(c(O)n(-c3ccccc3)c2O)C[C@@H](OC(=O)Nc2cccs2)[C@H]1OC(=O)Nc1cccs1)S(=O)(=O)c1ccc(C)cc1 ZINC000169693832 KK Annotated Mild C#CCN(C[C@@H]1c2c(c(O)n(-c3ccccc3)c2O)C[C@@H](OC(=O)NCc2ccccc2)[C@H]1OC(=O)NCc1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000169693845 KK Annotated Mild CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169693846 KK Annotated Anodyne CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000169693847 KK Annotated Anodyne CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000169693848 KK Annotated Anodyne CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3Cc3c(O)n(-c4ccccc4C(=O)N4CCC[C@@H]4C(=O)O)c(=O)n32)cc1 ZINC000169693983 KK Annotated Anodyne CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)n(-c4ccccc4C(=O)N4CCC[C@@H]4C(=O)O)c(=O)n32)cc1 ZINC000169693984 KK Annotated Anodyne CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3Cc3c(O)n(-c4ccccc4C(=O)N4CCC[C@H]4C(=O)O)c(=O)n32)cc1 ZINC000169693985 KK Annotated Anodyne CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)n(-c4ccccc4C(=O)N4CCC[C@H]4C(=O)O)c(=O)n32)cc1 ZINC000169693986 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000169694035 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000169694285 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)CC1 ZINC000169694286 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C/CCNC5=O)cc2)CC1 ZINC000169694362 KK Annotated Bother CS(=O)(=O)N1CCN(c2ccc(N)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C/CCNC5=O)cc2)CC1 ZINC000169694363 KK Annotated Anodyne CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C/CCNC5=O)cc2)c1 ZINC000169694364 KK Annotated Anodyne O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NCCCCCCN1 ZINC000169694365 KK Annotated Anodyne O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NCC/C=C/CCN1 ZINC000169694366 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C/CCNC5=O)cc2)CC1 ZINC000169694367 KK Annotated Anodyne O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NS(=O)(=O)C/C=C/CCN1 ZINC000169694368 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C/CS(=O)(=O)NC5=O)cc2)CC1 ZINC000169694369 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C/CCNC5=O)c(F)c2)CC1 ZINC000169694370 KK Annotated Anodyne COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C/CCNC6=O)ccc3n2)c1 ZINC000169694371 KK Annotated Anodyne Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C/CCNC6=O)ccc3n2)s1 ZINC000169694372 KK Annotated Anodyne Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C/CS(=O)(=O)NC6=O)ccc3n2)s1 ZINC000169694373 KK Annotated Anodyne CC[C@@H](C)S(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694639 KK Annotated Anodyne CC[C@H](C)S(=O)(=O)Nc1cc(Cl)cc(-c2[nH]c(C(C)(C)C)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1 ZINC000169694640 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2C)n1 ZINC000169694647 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694659 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3cccc(F)c3)c2F)n1 ZINC000169694675 KK Annotated Anodyne CC(C)(C)c1nc(-c2ccnc(N)n2)c(-c2cc(Cl)cc(NS(=O)(=O)c3c(F)cccc3F)c2F)[nH]1 ZINC000169694678 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(F)cc(NS(=O)(=O)c3c(F)cccc3F)c2Cl)n1 ZINC000169694680 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3cc(F)cc(F)c3)c2F)n1 ZINC000169694681 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2F)n1 ZINC000169694682 KK Annotated Anodyne COC(=O)N[C@@H](C)CNc1nccc(-c2nc(-c3ccc(C(F)(F)F)cc3)[nH]c2-c2cc(F)cc(NS(C)(=O)=O)c2Cl)n1 ZINC000169694687 KK Annotated Anodyne Nc1ccc(/N=N/c2ccc(/C=C/c3ccc(/N=N/c4ccc(N)c5ccc(S(=O)(=O)O)cc45)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)c2cc(S(=O)(=O)O)ccc12 ZINC000169694725 KK Annotated Clean CCCCC(CCCC)[C@@H]1[C@@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694815 KK Annotated Anodyne CCCCC(CCCC)[C@H]1[C@@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694816 KK Annotated Anodyne CCCCC(CCCC)[C@@H]1[C@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694817 KK Annotated Anodyne CCCCC(CCCC)[C@H]1[C@H](C(=O)c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694818 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000169694850 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)[C@H]1C(=O)c1ccc(Br)cc1 ZINC000169694851 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)[C@@H]1C(=O)c1ccc(Br)cc1 ZINC000169694852 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)[C@H]1C(=O)c1ccc(Br)cc1 ZINC000169694853 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)[C@@H]1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169694866 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)[C@H]1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169694867 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)[C@@H]1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169694868 KK Annotated Anodyne O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)[C@H]1C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169694869 KK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccc(Br)cc2OC)cc1 ZINC000169695133 KK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccc(Br)cc2OC)cc1 ZINC000169695134 KK Annotated Anodyne COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccc(Br)cc2OC)cc1 ZINC000169695135 KK Annotated Anodyne COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccc(Br)cc2OC)cc1 ZINC000169695136 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695149 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695150 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695151 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695152 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695154 KK Annotated Mild C[S@@](=O)CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695186 KK Annotated Anodyne C[S@](=O)CCOc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695187 KK Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695188 KK Annotated Anodyne C[S@](=O)CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695189 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695721 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695722 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695723 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695724 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169695793 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169695794 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169695795 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169695796 KK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695822 KK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OC(F)(F)F ZINC000169695823 KK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695824 KK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000169695825 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695838 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695839 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695840 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695841 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695850 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695851 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695852 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000169695853 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)on1 ZINC000169695874 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)on1 ZINC000169695875 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)on1 ZINC000169695876 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)on1 ZINC000169695877 KK Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695946 KK Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695947 KK Annotated Anodyne COCCOc1cc(F)ccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695948 KK Annotated Anodyne COCCOc1cc(F)ccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695949 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695990 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695991 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695992 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695993 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169696002 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169696003 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169696004 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000169696005 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696070 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696071 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696072 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696073 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696078 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696079 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696080 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696081 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696142 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696143 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696144 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696145 KK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1N1CCOCC1 ZINC000169696192 KK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1N1CCOCC1 ZINC000169696193 KK Annotated Anodyne CC(C)CC(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000169696194 KK Annotated Anodyne CC(C)CC(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000169696195 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696208 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696209 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696210 KK Annotated Anodyne COCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000169696211 KK Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696274 KK Annotated Anodyne COCCOc1ncccc1[C@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696275 KK Annotated Anodyne COCCOc1ncccc1[C@@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696276 KK Annotated Anodyne COCCOc1ncccc1[C@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696277 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696282 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696283 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696284 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)CC(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696285 KK Annotated Anodyne CCOC(=O)C(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@@H]1c1ccccc1OC ZINC000169696297 KK Annotated Anodyne CCOC(=O)C(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@@H]1c1ccccc1OC ZINC000169696298 KK Annotated Anodyne CCOC(=O)C(C)(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000169696299 KK Annotated Anodyne CCOC(=O)C(C)(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000169696300 KK Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696373 KK Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696374 KK Annotated Anodyne COCCCOc1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696375 KK Annotated Anodyne COCCCOc1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696376 KK Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696389 KK Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696390 KK Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696391 KK Annotated Anodyne CCN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696392 KK Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696401 KK Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696402 KK Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696403 KK Annotated Anodyne COCCN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696404 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696429 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696430 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696431 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696432 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696433 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696434 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696435 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696436 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696469 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@H]1[C@@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696470 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696471 KK Annotated Anodyne CN(C)C(=O)c1ccccc1[C@H]1[C@H](C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696472 KK Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C4CCCC4)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696489 KK Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C4CCCC4)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696490 KK Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C4CCCC4)[C@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696491 KK Annotated Anodyne Cc1nc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C4CCCC4)[C@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696492 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696509 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696510 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696511 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696512 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696551 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696552 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696553 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696554 KK Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696667 KK Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696668 KK Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696669 KK Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696670 KK Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696675 KK Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696676 KK Annotated Anodyne COCCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696677 KK Annotated Anodyne COCCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696678 KK Annotated Anodyne CCN(C)C(=O)c1ncccc1[C@@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696691 KK Annotated Anodyne CCN(C)C(=O)c1ncccc1[C@H]1[C@@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696692 KK Annotated Anodyne CCN(C)C(=O)c1ncccc1[C@@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696693 KK Annotated Anodyne CCN(C)C(=O)c1ncccc1[C@H]1[C@H](C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696694 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696703 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696704 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696705 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696706 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696707 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696708 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696709 KK Annotated Anodyne Cc1ccc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696710 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696764 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696765 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@@H](C(=O)C(C)C)[C@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696766 KK Annotated Anodyne Cc1cc(-c2ccc(N3C(=O)C(=O)[C@H](C(=O)C(C)C)[C@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696767 KK Annotated Anodyne COC(=O)COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000169696785 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696794 KK Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696829 KK Annotated Anodyne C[S@](=O)CCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696830 KK Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696831 KK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC[S@@](C)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696834 KK Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1OCC[S@@](C)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696835 KK Annotated Anodyne CC(C)c1[nH]nc2c1[C@@H](c1ccccc1OCC[S@](C)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696836 KK Annotated Anodyne COC(=O)COCc1ncccc1[C@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696876 KK Annotated Anodyne COCCOc1ccccc1[C@H]1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696877 KK Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696901 KK Annotated Anodyne CNC(=O)COc1ccccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696902 KK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C(=O)N(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696908 KK Annotated Anodyne CC(C)(C)c1[nH]nc2c1[C@@H](c1ccccc1OCc1nnn[nH]1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696910 KK Annotated Anodyne CC(=O)NCCOc1ccccc1[C@@H]1c2c(n[nH]c2C(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696912 KK Annotated Anodyne COc1ccc(C2(c3[nH]nc4c3[C@@H](c3ccccc3OC)N(c3ccc(-c5ccon5)cc3)C4=O)CC2)cc1 ZINC000169696929 KK Annotated Anodyne COc1ccccc1[C@@H]1c2c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c2C(=O)N1c1ccc(Br)cc1 ZINC000169696939 KK Annotated Anodyne CC(C)c1[nH]nc2c1[C@H](c1ccccc1OCCS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000169696963 KK Annotated Anodyne COCCOCc1ncccc1[C@@H]1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696988 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N3C=N[C@@H]4CCCC[C@@H]43)nc2c1Br ZINC000169697596 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N3C=N[C@H]4CCCC[C@@H]43)nc2c1Br ZINC000169697598 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N3C=N[C@@H]4CCCC[C@H]43)nc2c1Br ZINC000169697600 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N3C=N[C@H]4CCCC[C@H]43)nc2c1Br ZINC000169697601 KK Annotated Anodyne Brc1c(Br)c(Br)c2[nH]c(N3CCNc4ccccc43)nc2c1Br ZINC000169697604 KK Annotated Anodyne O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3Cc4cc(Cl)ccc4O3)s2)s1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000169697866 KK Annotated Anodyne O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)s2)s1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000169697867 KK Annotated Anodyne O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3Cc4cc(Cl)ccc4O3)s2)s1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000169697868 KK Annotated Anodyne O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@@H]3Cc4cc(Br)ccc4O3)s2)s1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000169697874 KK Annotated Anodyne O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)s2)s1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000169697876 KK Annotated Anodyne O=C(Nc1nnc(CCCCc2nnc(NC(=O)[C@H]3Cc4cc(Br)ccc4O3)s2)s1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000169697878 KK Annotated Anodyne C=CC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CC=C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698007 KK Annotated Mild C=CC[C@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@@H](CC=C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698008 KK Annotated Mild C=CC[C@@H](C(=O)Nc1nnc(CCCCc2nnc(NC(=O)[C@H](CC=C)c3ccccc3)s2)s1)c1ccccc1 ZINC000169698009 KK Annotated Mild CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)[C@@H](O)c4cccc(Cl)c4)nn3)s2)c1 ZINC000169698322 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1cccc(CC(=O)Nc2nnc(CCCCc3ccc(NC(=O)[C@H](O)c4cccc(Cl)c4)nn3)s2)c1 ZINC000169698323 KK Annotated Anodyne O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)[C@@H](O)c3cccc(Cl)c3)s2)nn1 ZINC000169698354 KK Annotated Anodyne O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(CCCCc2nnc(NC(=O)[C@H](O)c3cccc(Cl)c3)s2)nn1 ZINC000169698355 KK Annotated Anodyne CCCC(=O)OCN(C(=O)Cc1cccc(CNC(=O)OC(C)(C)C)c1)c1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698468 KK Annotated Anodyne CCCC(=O)OCN(C(=O)[C@@H](CO)c1cccc(CNC(=O)OC(C)(C)C)c1)c1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698495 KK Annotated Anodyne CCCC(=O)OCN(C(=O)[C@H](CO)c1cccc(CNC(=O)OC(C)(C)C)c1)c1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698496 KK Annotated Anodyne CCCC(=O)OCN(C(=O)Cc1cccc(CC(=O)N2CCC(F)(F)CC2)c1)c1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698500 KK Annotated Anodyne CC(C)C(=O)N1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(N(C)C(=O)Oc3ccc(F)cc3)C2)CC1 ZINC000169698918 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698919 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698924 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698926 KK Annotated Mild CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698927 KK Annotated Mild CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698933 KK Annotated Anodyne Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)cc2)no1 ZINC000169698934 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698935 KK Annotated Mild COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(N(C)C(=O)Oc4ccc(F)cc4)C3)CC2)nn1 ZINC000169698936 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000169698937 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698938 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698939 KK Annotated Mild CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698940 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698942 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698947 KK Annotated Mild CC(=O)c1ccc(N2CCC(C(=O)N3C[C@@H](N(C)C(=O)Oc4ccc(F)cc4)[C@](C)(c4ccc(Cl)cc4)C3)CC2)nc1 ZINC000169698948 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698950 KK Annotated Anodyne CN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@]1(C)c1ccc(Cl)cc1 ZINC000169698952 KK Annotated Anodyne COc1ccc(CCOC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(C)C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 ZINC000169699236 KK Annotated Anodyne CCNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)c1c[nH]c(-c2cc(Oc3ccc(NC(=O)Nc4cccc(C)c4)c(F)c3)ccn2)c1 ZINC000169699242 KK Annotated Anodyne COc1cc(Br)cc(/C=N/CCSSCC/N=C/c2cc(Br)cc(OC)c2O)c1O ZINC000169699736 KK Annotated Reactive COc1cc(-c2cccs2)cc(/C=N/CCSSCC/N=C/c2cc(-c3cccs3)cc(OC)c2O)c1O ZINC000169699739 KK Annotated Reactive O=C1c2ccccc2[C@@](O[C@@H]2CCC[C@H](O)CCC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000169699787 KK Annotated Bother O=C1c2ccccc2[C@](O[C@@H]2CCC[C@H](O)CCC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000169699788 KK Annotated Bother C#C[C@H](c1ccc(/C=C2\CCC/C(=C\c3ccc([C@H](C#C)N(CC)CC)cc3C)C2=O)c(C)c1)N(CC)CC ZINC000169699849 KK Annotated Mild C#C[C@H](c1ccc(/C=C2\CCC/C(=C\c3ccc([C@@H](C#C)N(CC)CC)cc3C)C2=O)c(C)c1)N(CC)CC ZINC000169699850 KK Annotated Mild C#C[C@@H](c1ccc(/C=C2\CCC/C(=C\c3ccc([C@H](C#C)N(CC)CC)cc3C)C2=O)c(C)c1)N(CC)CC ZINC000169699851 KK Annotated Mild COc1cc(C/C=C(\c2cc(O)c(OC)cc2O)c2cc(CCCc3ccc(O)c(OC)c3)c(O)cc2OC)ccc1O ZINC000169700194 KK Annotated Anodyne COc1cc(C/C=C(\c2cc(O)c(OC)cc2O)c2c(OC)cc3c(c2O)CC[C@H](c2ccc(O)c(OC)c2)O3)ccc1O ZINC000169700195 KK Annotated Anodyne COc1cc(C/C=C(\c2cc(O)c(OC)cc2O)c2c(OC)cc3c(c2O)CC[C@@H](c2ccc(O)c(OC)c2)O3)ccc1O ZINC000169700196 KK Annotated Anodyne COc1cc(C/C=C(\c2cc(O)c(OC)cc2O)c2c(OC)cc3c(c2O)CC[C@H](c2ccc(O)c(O)c2)O3)ccc1O ZINC000169700197 KK Annotated Clean COc1cc(C/C=C(\c2cc(O)c(OC)cc2O)c2c(OC)cc3c(c2O)CC[C@@H](c2ccc(O)c(O)c2)O3)ccc1O ZINC000169700198 KK Annotated Clean CCOC(=O)[C@@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700220 KK Annotated Anodyne CCOC(=O)[C@H]1CCC[C@@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700221 KK Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700222 KK Annotated Anodyne CCOC(=O)[C@H]1CCC[C@H](N[C@@H]2COc3cc(-c4noc(-c5onc(-c6ccccc6)c5C(F)(F)F)n4)ccc3[C@@H]2O)C1 ZINC000169700223 KK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@H]1N[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O ZINC000169700229 KK Annotated Anodyne Oc1cc(N(CCc2ccccc2)C(=S)Nc2cc(Cl)ccc2Cl)c(O)n1-c1c(Cl)cccc1Cl ZINC000169700556 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(N3CCC(F)CC3)cc21 ZINC000169700878 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)F)c(N4CCC(F)CC4)cc3[nH]2)c1Cl ZINC000169700879 KK Annotated Anodyne Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(F)CC3)cc21 ZINC000169700880 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700881 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(NC3CC(F)(F)C3)cc21 ZINC000169700882 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(NCC(F)F)cc21 ZINC000169700883 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@H](F)C3)cc21 ZINC000169700884 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@@H](F)C3)cc21 ZINC000169700885 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC(F)(F)C3)cc21 ZINC000169700886 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4C[C@H]4C3)cc21 ZINC000169700887 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4C[C@@H]4C3)cc21 ZINC000169700888 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4C[C@H]4C3)cc21 ZINC000169700889 KK Annotated Anodyne CN(c1cc2c(cc1C(=O)NCC(F)(F)F)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)C1CC1 ZINC000169700890 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCn4cncc4C3)cc21 ZINC000169700891 KK Annotated Anodyne CN1CCN(c2cc3c(cc2C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)CC2)nc(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)CC1=O ZINC000169700892 KK Annotated Anodyne CN(c1cc2c(cc1C(=O)NCC(F)(F)F)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)C1CCCC1 ZINC000169700893 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700894 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(Nc3ccc(F)c(Cl)c3)cc21 ZINC000169700895 KK Annotated Anodyne CN(c1ccc(F)c(Cl)c1)c1cc2c(cc1C(=O)NCC(F)(F)F)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700896 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c([C@@H]3CCc4ccc(Cl)cc4C3)cc21 ZINC000169700897 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c([C@H]3CCc4ccc(Cl)cc4C3)cc21 ZINC000169700898 KK Annotated Anodyne Cc1nc2c(s1)CN(c1cc3c(cc1C(=O)NCC(F)(F)F)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n3C)C2 ZINC000169700899 KK Annotated Anodyne CN(CCC(F)(F)F)c1cc2c(cc1C(=O)NCC(F)(F)F)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700900 KK Annotated Anodyne C[C@@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)c1cccs1 ZINC000169700901 KK Annotated Anodyne C[C@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)c1cccs1 ZINC000169700902 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N3CCC(F)(F)C3)cc21 ZINC000169700903 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H](c3ccccn3)C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700904 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H](c3ccccn3)C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700905 KK Annotated Anodyne C[C@@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700906 KK Annotated Anodyne C[C@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700907 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(OC(F)(F)F)c3)c(N3CCC(F)(F)C3)cc21 ZINC000169700908 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H](c3ccccc3)C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700909 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(F)(F)C3)cc21 ZINC000169700910 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ncccc3C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700911 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700912 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC3CC3)c(N3CCC(F)(F)C3)cc21 ZINC000169700913 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCCC(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700914 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(F)(F)C3)cc21 ZINC000169700915 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700916 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H](Cc3ccccc3)C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700917 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700918 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1N1CCC(F)(F)C1)C(F)(F)F ZINC000169700919 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)C(F)(F)F)c(N3CCC(F)(F)C3)cc21 ZINC000169700920 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(F)(F)C3)cc21 ZINC000169700921 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)C(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700922 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700923 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700924 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700925 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700926 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCN(CC(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700927 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(F)(F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700928 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169700929 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4C[C@H]4C3)cc21 ZINC000169700930 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4C[C@@H]4C3)cc21 ZINC000169700931 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4C[C@H]4C3)cc21 ZINC000169700932 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3C[C@H]4C[C@H]4C3)cc21 ZINC000169700933 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3C[C@H]4C[C@@H]4C3)cc21 ZINC000169700934 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3C[C@@H]4C[C@H]4C3)cc21 ZINC000169700935 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3C[C@H]4C[C@H]4C3)cc21 ZINC000169700936 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3C[C@H]4C[C@@H]4C3)cc21 ZINC000169700937 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3C[C@@H]4C[C@H]4C3)cc21 ZINC000169700938 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(N3C[C@H]4C[C@H]4C3)cc21 ZINC000169700939 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(N3C[C@H]4C[C@@H]4C3)cc21 ZINC000169700940 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(N3C[C@@H]4C[C@H]4C3)cc21 ZINC000169700941 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCOCC3)cc21 ZINC000169700942 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)C(F)(F)F)c(N3CCOCC3)cc21 ZINC000169700943 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(F)(F)CC3)cc21 ZINC000169700944 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)C(F)(F)F)c(N3CCC(F)(F)CC3)cc21 ZINC000169700945 KK Annotated Mild CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4CCOCC4)cc3n2CC(F)F)c1Cl ZINC000169700946 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)C(F)(F)F)c(N4CCOCC4)cc3n2CC(F)F)c1Cl ZINC000169700947 KK Annotated Mild CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)C(F)(F)F)c(N4CCC(F)(F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700948 KK Annotated Mild CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4CCC(C(F)(F)F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700949 KK Annotated Mild CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)C(F)(F)F)c(N4CCC(C(F)(F)F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700950 KK Annotated Mild CC1(O)CCN(c2cc3c(cc2C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)CC2)nc(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)n3CC(F)F)CC1 ZINC000169700951 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4CC[C@@H](F)C4)cc3n2CC(F)F)c1Cl ZINC000169700952 KK Annotated Anodyne CC(C)(F)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NC4CCC(C(F)(F)F)CC4)c(N4CCC(O)(C(F)(F)F)CC4)cc3n2CC(F)F)c1Cl ZINC000169700953 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(N3CCC(O)(C(F)(F)F)CC3)cc21 ZINC000169700954 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@@](C)(O)C3)cc21 ZINC000169700955 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@](C)(O)C3)cc21 ZINC000169700956 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(N3CC[C@@H](O)C3)cc21 ZINC000169700957 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(N3CC[C@H](O)C3)cc21 ZINC000169700958 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(NCCCO)cc21 ZINC000169700959 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC(C)(O)C3)cc21 ZINC000169700960 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC(O)C3)cc21 ZINC000169700961 KK Annotated Anodyne CN(Cc1nccn1C)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700962 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000169700963 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000169700964 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC4(CC4)C3)cc21 ZINC000169700965 KK Annotated Anodyne CN(c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C)C1CCC1 ZINC000169700966 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC4CCC3CC4)cc21 ZINC000169700967 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC4(COC4)C3)cc21 ZINC000169700968 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC4(CCC4)C3)cc21 ZINC000169700969 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4CCC[C@@H]43)cc21 ZINC000169700970 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CCC[C@@H]43)cc21 ZINC000169700971 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC3)cc21 ZINC000169700972 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC(F)C3)cc21 ZINC000169700973 KK Annotated Anodyne COC1CN(c2cc3c(cc2C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)CC2)nc(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)n3C)C1 ZINC000169700974 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC(OC(F)F)C3)cc21 ZINC000169700975 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@@H](C(F)(F)F)C3)cc21 ZINC000169700976 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@H](C(F)(F)F)C3)cc21 ZINC000169700977 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CCC[C@H]4C3)cc21 ZINC000169700978 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CCC[C@@H]4C3)cc21 ZINC000169700979 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4CCC[C@H]4C3)cc21 ZINC000169700980 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4COC[C@H]4C3)cc21 ZINC000169700981 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4COC[C@@H]4C3)cc21 ZINC000169700982 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4COC[C@H]4C3)cc21 ZINC000169700983 KK Annotated Anodyne CO[C@@H](C)CN(C)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700984 KK Annotated Anodyne CO[C@H](C)CN(C)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700985 KK Annotated Anodyne CN(CCS(C)(=O)=O)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700986 KK Annotated Anodyne C[C@@H](O)CN(C)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700987 KK Annotated Anodyne C[C@H](O)CN(C)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700988 KK Annotated Anodyne CN(CC1(C)CC1)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700989 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCN(C4CC4)CC3)cc21 ZINC000169700990 KK Annotated Anodyne CN(CC(C)(C)O)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700991 KK Annotated Anodyne CN(CC(N)=O)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl)n2C ZINC000169700992 KK Annotated Anodyne Cn1ccnc1CNc1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700993 KK Annotated Anodyne CN(Cc1nnc[nH]1)c1cc2c(cc1C(=O)N[C@@H]1CC[C@@H](C(F)(F)F)CC1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169700994 KK Annotated Anodyne Cc1n[nH]c(CN(C)c2cc3c(cc2C(=O)N[C@@H]2CC[C@@H](C(F)(F)F)CC2)nc(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)n3C)n1 ZINC000169700995 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@@H](F)C3)cc21 ZINC000169700996 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CC[C@H]4C3)cc21 ZINC000169700997 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CC[C@@H]4C3)cc21 ZINC000169700998 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4CC[C@H]4C3)cc21 ZINC000169700999 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4C[C@H](C3)[C@@H]4O)cc21 ZINC000169701000 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4CC[C@@H]3C4)cc21 ZINC000169701001 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CC[C@@H]3C4)cc21 ZINC000169701002 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701003 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(N3C[C@@H]4C[C@H]3CO4)cc21 ZINC000169701004 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCS(=O)(=O)CC3)cc21 ZINC000169701005 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(N3CCN[C@@H](C(F)(F)F)C3)cc21 ZINC000169701006 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(N3CCN[C@H](C(F)(F)F)C3)cc21 ZINC000169701007 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCN(CC(F)(F)F)CC3)cc21 ZINC000169701008 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCn4ncnc4C3)cc21 ZINC000169701009 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4CC[C@@H](C3)O4)cc21 ZINC000169701010 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@@H]4CC[C@H](C3)O4)cc21 ZINC000169701011 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3C[C@H]4CC[C@H](C3)O4)cc21 ZINC000169701012 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3C[C@H]4C[C@H]4C3)cc21 ZINC000169701013 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3C[C@H]4C[C@@H]4C3)cc21 ZINC000169701014 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3C[C@@H]4C[C@H]4C3)cc21 ZINC000169701015 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000169701016 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000169701017 KK Annotated Anodyne CN(CC(F)F)c1cc2c(cc1C(=O)Nc1ccc(OC(F)(F)F)cc1)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl)n2C ZINC000169701018 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@@H](C(F)(F)F)C3)cc21 ZINC000169701019 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@H](F)C3)cc21 ZINC000169701020 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC(F)(F)CC3)cc21 ZINC000169701021 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCOCC3)cc21 ZINC000169701022 KK Annotated Anodyne Cc1c(N2C[C@H]3C[C@H]3C2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c12 ZINC000169701023 KK Annotated Anodyne Cc1c(N2C[C@H]3C[C@@H]3C2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c12 ZINC000169701024 KK Annotated Anodyne Cc1c(N2C[C@@H]3C[C@H]3C2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c12 ZINC000169701025 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(N3CC[C@@H](F)C3)c(F)c21 ZINC000169701026 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(O)CC3)cc21 ZINC000169701027 KK Annotated Anodyne CN(c1cc2c(cc1C(=O)NCCC(F)(F)F)nc(Nc1c(Cl)ccc(CNC(=O)C(C)(C)F)c1Cl)n2C)C1CCC1 ZINC000169701028 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC[C@@H](C(F)(F)F)C3)cc21 ZINC000169701029 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC[C@H](C(F)(F)F)C3)cc21 ZINC000169701030 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(F)(F)C3)cc21 ZINC000169701031 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C3(C)CC3)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701032 KK Annotated Anodyne Cc1nc(C(F)(F)F)c(CNC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2N2CCC(C(F)(F)F)CC2)s1 ZINC000169701033 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)C)on3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701034 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)CO)no3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701035 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3nc(C(F)(F)F)cs3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701036 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3nnc(C(C)(C)C)s3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701037 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4C[C@H]5C[C@H]5C4)cc3n2C2(C(C)(C)O)CC2)c1Cl ZINC000169701038 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4C[C@H]5C[C@@H]5C4)cc3n2C2(C(C)(C)O)CC2)c1Cl ZINC000169701039 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(N4C[C@@H]5C[C@H]5C4)cc3n2C2(C(C)(C)O)CC2)c1Cl ZINC000169701040 KK Annotated Anodyne CC(C)(O)Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701041 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)c3ccc(O)cc3F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701042 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)CO)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701043 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)c3c(N)cccc3Cl)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701044 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)c3ccc(N)cc3Cl)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701045 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)c3cccc(O)c3)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701046 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)c3c(O)cccc3F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701047 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)c3nccs3)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701048 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701049 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701050 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701051 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701052 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701053 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701054 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701055 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701057 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701058 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701059 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701060 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701061 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701062 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701063 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701064 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701065 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)O)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CC[C@@H](F)C3)cc21 ZINC000169701066 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701067 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701068 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701069 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)N[C@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701070 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701071 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701072 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701073 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701074 KK Annotated Mild Cn1c(Cc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701075 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701076 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C(F)(F)F)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000169701077 KK Annotated Mild CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000169701107 KK Annotated Clean O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c2cc(F)ccc2c1 ZINC000169701476 KK Annotated Mild O=C1N(c2ccc([C@@H](OCc3ccccc3)C(F)(F)F)cc2)CC[C@@]12CC[C@@H](O)[C@H](OCC(F)(F)F)C2 ZINC000169702047 KK Annotated Anodyne CC(=O)Oc1cccc(CN2CCC[C@H](C(=O)N(Cc3cc(Cl)c4c(c3)OCCCO4)CC(C)C)C2)c1 ZINC000169702054 KK Annotated Anodyne COC(=O)N[C@H](C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1cccc2cccnc12)C(c1ccccc1)c1ccccc1 ZINC000169702544 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2c(F)cc(F)cc2F)n1 ZINC000169702622 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000169702625 KK Annotated Anodyne O=C(O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(C(F)(F)F)cc4)CC3)OC2=O)cc1 ZINC000169702626 KK Annotated Anodyne COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(F)c1 ZINC000169702629 KK Annotated Anodyne CCOc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000169702641 KK Annotated Anodyne CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)n1 ZINC000169702642 KK Annotated Anodyne CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c1 ZINC000169702643 KK Annotated Anodyne CCOc1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)c(C)c2)C(=O)O3)c(-c2ccc(F)c(F)c2F)cc1C ZINC000169702644 KK Annotated Anodyne CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2c(OCc3ccccc3)cccc21 ZINC000169702661 KK Annotated Anodyne COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)cn(-c3ccccc3)c2c1 ZINC000169702664 KK Annotated Anodyne COc1ccc(-c2nc(C3CCCCC3)sc2CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1 ZINC000169702665 KK Annotated Anodyne CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000169702687 KK Annotated Anodyne C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702688 KK Annotated Anodyne C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702689 KK Annotated Anodyne C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000169702690 KK Annotated Anodyne C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000169702691 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000169702695 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000169702696 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 ZINC000169702697 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(Cl)c2)cn1 ZINC000169702698 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2)cn1 ZINC000169702701 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2ccc(CO)cc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 ZINC000169702702 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 ZINC000169702707 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 ZINC000169702708 KK Annotated Anodyne CCCCCCCCCCCC/C=C/[C@@]12C(=O)O[C@@H](C)[C@@H]1[C@H]1C(=C[C@H]2CCCCCCCCCCCC)C(=O)O[C@H]1C ZINC000169703043 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@]12C(=O)O[C@@H](C)[C@@H]1[C@H]1C(=C[C@@H]2CCCCCCCCCCCC)C(=O)O[C@H]1C ZINC000169703044 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@]12C(=O)O[C@@H](C)[C@@H]1[C@H]1C(=C[C@H]2CCCCCCCCCCCC)C(=O)O[C@H]1C ZINC000169703045 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@]12C(=O)O[C@@H](C)[C@@H]1[C@H](C(C)=O)C(C(=O)O)=C[C@H]2CCCCCCCCCCCC ZINC000169703046 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@]12C(=O)O[C@@H](C)[C@@H]1[C@H](C(C)=O)C(C(=O)O)=C[C@@H]2CCCCCCCCCCCC ZINC000169703047 KK Annotated Mild CCCCCCCCCCCC/C=C/[C@]12C(=O)O[C@]3(C)O[C@]4(C)OC(=O)C(=C[C@H]1CCCCCCCCCCCC)[C@@H]4[C@@H]32 ZINC000169703048 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703051 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(OCC(F)F)c(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)cc3[nH]2)c1Cl ZINC000169703052 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(F)cc21 ZINC000169703053 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21 ZINC000169703055 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(F)cc21 ZINC000169703057 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21 ZINC000169703058 KK Annotated Anodyne Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(F)cc21 ZINC000169703060 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3cc(C(=O)Nc4ccc(Br)cc4)c(OCC(F)F)cc3n2C2CC2)c1F ZINC000169703061 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(F)c(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)cc3[nH]2)c1Cl ZINC000169703062 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703063 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCC(F)F)cc21 ZINC000169703064 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)OC(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703065 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(F)cc21 ZINC000169703066 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)c(F)cc21 ZINC000169703067 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(F)cc21 ZINC000169703068 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(F)cc21 ZINC000169703069 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(F)cc21 ZINC000169703070 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)c(F)cc21 ZINC000169703071 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(F)cc(Cl)c3)c(F)cc21 ZINC000169703072 KK Annotated Anodyne Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703074 KK Annotated Mild Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCC(F)F)cc21 ZINC000169703075 KK Annotated Anodyne Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703076 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(C#N)c3)c(OCC(F)F)cc21 ZINC000169703077 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCC(F)F)cc21 ZINC000169703078 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3)c(OCC(F)F)cc21 ZINC000169703079 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(F)c3)c(OCC(F)F)cc21 ZINC000169703080 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC3)c(OCC(F)F)cc21 ZINC000169703081 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)cc3F)c(OCC(F)F)cc21 ZINC000169703082 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)c(OCC(F)F)cc21 ZINC000169703083 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ccccc3C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703084 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703087 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC[C@@H]3CCCO3)c(OCC(F)F)cc21 ZINC000169703089 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC[C@H]3CCCO3)c(OCC(F)F)cc21 ZINC000169703091 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703092 KK Annotated Mild C[C@@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F)C(F)(F)F ZINC000169703093 KK Annotated Anodyne C[C@H](NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F)C(F)(F)F ZINC000169703094 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(F)cc(Cl)c3)c(OCC(F)F)cc21 ZINC000169703095 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ncc(Cl)s3)c(OCC(F)F)cc21 ZINC000169703096 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCc3ncccc3C(F)(F)F)c(OCC(F)F)cc21 ZINC000169703097 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)F)c(OCC(F)F)cc21 ZINC000169703098 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC[C@@H]3CC3(Cl)Cl)c(OCC(F)F)cc21 ZINC000169703099 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC[C@H]3CC3(Cl)Cl)c(OCC(F)F)cc21 ZINC000169703100 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)c(F)c3)c(OCC(F)F)cc21 ZINC000169703102 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC3CCC3)c(OCC(F)F)cc21 ZINC000169703104 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)nc3)c(OCC(F)F)cc21 ZINC000169703105 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703106 KK Annotated Anodyne COCC1(CNC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2OCC(F)F)CCCC1 ZINC000169703107 KK Annotated Anodyne COC(=O)c1ccc(NC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2OCC(F)F)s1 ZINC000169703108 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCC3CC3)c(OCC(F)F)cc21 ZINC000169703110 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC3CCCCC3)c(OCC(F)F)cc21 ZINC000169703112 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc21 ZINC000169703114 KK Annotated Anodyne Cc1ccc(Cl)cc1NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F ZINC000169703116 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c(OCC(F)F)cc21 ZINC000169703117 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)c(OCC(F)F)cc21 ZINC000169703118 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)c(OCC(F)F)cc21 ZINC000169703119 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)c(OCC(F)F)cc21 ZINC000169703120 KK Annotated Anodyne CCNC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F ZINC000169703121 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCCc3ccccc3)c(OCC(F)F)cc21 ZINC000169703122 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703123 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc4c(c3)CCC4)c(OCC(F)F)cc21 ZINC000169703125 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(OCC(F)F)cc21 ZINC000169703126 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(C(F)(F)F)cn3)c(OCC(F)F)cc21 ZINC000169703127 KK Annotated Anodyne Cc1cc(C#N)c(NC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2OCC(F)F)s1 ZINC000169703128 KK Annotated Mild Cc1cc(Cl)cnc1NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1OCC(F)F ZINC000169703131 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(F)(F)CC3)c(OCC(F)F)cc21 ZINC000169703132 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccncc3Cl)c(OCC(F)F)cc21 ZINC000169703133 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(OCC(F)F)cc21 ZINC000169703134 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cc(C(F)(F)F)ccn3)c(OCC(F)F)cc21 ZINC000169703135 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703136 KK Annotated Anodyne Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3cc(F)cc(Cl)c3)c(OCC(F)F)cc21 ZINC000169703137 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3nc(C(F)(F)F)cs3)c(F)cc21 ZINC000169703138 KK Annotated Anodyne Cn1c(Nc2c(F)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3cccc(F)c3)c(OCC(F)F)cc21 ZINC000169703139 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(Cl)c3F)c(OCC(F)F)cc21 ZINC000169703140 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(F)c3)c(OCC(F)F)cc21 ZINC000169703141 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCC(F)F)cc21 ZINC000169703142 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703143 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2F)nc2cc(C(=O)NCC(F)(F)F)c(OCC(F)F)cc21 ZINC000169703144 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(OC(F)F)c(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)cc3[nH]2)c1Cl ZINC000169703145 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3c(F)c(OCC(F)(F)F)c(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)cc3[nH]2)c1Cl ZINC000169703146 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)N3CC(F)(F)C3)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703147 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)N3CCC(F)(F)C3)c2Cl)nc2cc(C(=O)N[C@@H]3CC[C@@H](C(F)(F)F)CC3)c(OCC(F)F)cc21 ZINC000169703148 KK Annotated Mild C[C@@H]1CCCN1C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(OCC(F)F)cc3n2C)c1Cl ZINC000169703149 KK Annotated Anodyne C[C@H]1CCCN1C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)c(OCC(F)F)cc3n2C)c1Cl ZINC000169703150 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3c(F)ccc(F)c3F)c(OCC(F)F)cc21 ZINC000169703151 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(OCCF)cc21 ZINC000169703152 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3c(F)c(F)c(C(=O)N[C@@H]4CC[C@@H](C(F)(F)F)CC4)cc3[nH]2)c1Cl ZINC000169703156 KK Annotated Anodyne Cc1nn(Cc2ccc(NC(=O)c3oc4cc(Br)ccc4c3C)cc2F)c(C)c1CC(=O)O ZINC000169703208 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(N3CCOCC3)cn2)CN1c1nc(N2CCC(C(=O)O)CC2)ncc1Cl ZINC000169703222 KK Annotated Anodyne CC[C@H]1C[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1C(=O)N1CCCCC1 ZINC000169703223 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NCCN3CCCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703460 KK Annotated Anodyne CSCCCNc1cc(-n2nc(C(C)C)c3c(-c4cnc5ccccc5c4)ccnc32)ccc1C(N)=O ZINC000169703461 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703462 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NCCc3ccccn3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703465 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NCCCN(C)C)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703466 KK Annotated Anodyne CCc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703474 KK Annotated Anodyne C=Cc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703475 KK Annotated Anodyne CC(=O)N[C@@H]1CC[C@@H](Nc2cc(-n3cc(C)c4c(-c5cnc6ccccc6c5)ccnc43)ccc2C(N)=O)CC1 ZINC000169703481 KK Annotated Anodyne Cc1cn(-c2ccc(C(N)=O)c(S[C@@H]3CC[C@@H](O)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703483 KK Annotated Anodyne CCc1cn(-c2ccc(C(N)=O)c(NC3CCN(C)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703488 KK Annotated Anodyne CCc1cn(-c2ccc(C(N)=O)c(N[C@@H]3CC[C@@H](N)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703489 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCNCC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703491 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4cccnc4)c3)c12 ZINC000169703498 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4ccncc4)c3)c12 ZINC000169703499 KK Annotated Anodyne Cc1c(-c2cccnc2)ncn1-c1ccnc2c1c(C(C)C)nn2-c1ccc(C(N)=O)c(N(O)C2CCCCC2)c1 ZINC000169703501 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4cnn(Cc5ccccc5)c4)c3)c12 ZINC000169703504 KK Annotated Anodyne CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-c4cnn(CCOCc5ccccc5)c4)c3)c12 ZINC000169703505 KK Annotated Anodyne CC(C)NC(=O)c1ccc(-c2cn(-c3ccnc4c3c(C(C)C)nn4-c3ccc(C(N)=O)cc3Cl)cn2)cc1 ZINC000169703555 KK Annotated Anodyne NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c(-n4cnc(-c5cccnc5)c4)ccnc32)c(NC2CCCC2)c1 ZINC000169703585 KK Annotated Anodyne CCS(=O)(=O)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703676 KK Annotated Anodyne CN1CCC[C@H]1C(=O)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703678 KK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1)c1cccnc1 ZINC000169703679 KK Annotated Anodyne CN(C)CC(=O)NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703680 KK Annotated Anodyne CN1CCC[C@H]1C(=O)NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703681 KK Annotated Anodyne O=C(NC[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1)c1cccnc1 ZINC000169703682 KK Annotated Anodyne O=C(c1cccnc1)N1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 ZINC000169703685 KK Annotated Anodyne Fc1cccc(CNc2cccc(-c3cc(N[C@@H]4CC[C@@H](CN5CCCCC5)CC4)ncc3Cl)n2)c1 ZINC000169703712 KK Annotated Anodyne CN1CCN(C[C@@H]2CC[C@@H](Nc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)CC1 ZINC000169703713 KK Annotated Anodyne CN1CCN([C@@H]2CC[C@@H](Nc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)CC1 ZINC000169703755 KK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NC[C@@H]4CCCNC4)n3)c(Cl)cn2)CC1)OCc1ccccc1 ZINC000169703791 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@H]3CCCO3)CC2)cc1-c1nc(NC[C@@H]2CCCOC2)ccc1Cl ZINC000169703819 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@H]3CCCO3)CC2)cc1-c1nc(NC[C@H]2CCCOC2)ccc1Cl ZINC000169703820 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@@H]3COCCO3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl ZINC000169703821 KK Annotated Anodyne Clc1cnc(N[C@@H]2CC[C@@H](NC[C@H]3COCCO3)CC2)cc1-c1nc(NCC2CCOCC2)ccc1Cl ZINC000169703822 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3cccc(NCC4(OC)CCCCC4)n3)c(Cl)cn2)CC1 ZINC000169703836 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3ccc(C(F)(F)F)c(NCC4CCOCC4)n3)c(Cl)cn2)CC1 ZINC000169703839 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2cc(-c3nc(NCC4CCOCC4)ccc3C(F)(F)F)c(Cl)cn2)CC1 ZINC000169703841 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2nccc(-c3nc(NC[C@@H]4CCOC(C)(C)C4)ccc3C(F)(F)F)c2F)CC1 ZINC000169703842 KK Annotated Anodyne COC[C@@H](C)N[C@@H]1CC[C@@H](Nc2nccc(-c3nc(NC[C@H]4CCOC(C)(C)C4)ccc3C(F)(F)F)c2F)CC1 ZINC000169703843 KK Annotated Anodyne CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@@H](NC5(C)OCCO5)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000169703847 KK Annotated Anodyne CC1(CNc2nc(-c3cc(N[C@@H]4CC[C@@H](NC5CCS(=O)(=O)CC5)CC4)ncc3Cl)ccc2F)CCOCC1 ZINC000169703849 KK Annotated Anodyne O=S1(=O)CCC(NC2CCC(Nc3cc(-c4nc(NCC5CCOCC5)ccc4Cl)c(Cl)cn3)CC2)CC1 ZINC000169703851 KK Annotated Anodyne COc1cc(OC)c2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(O)(C4CC4)C3)cc2)c1-c1ccccc1 ZINC000169703877 KK Annotated Anodyne CCc1nn(Cc2ccc(NC(=O)OCc3ccccc3Br)cc2)c(CC)c1CC(=O)O ZINC000169704012 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1Br ZINC000169704391 KK Annotated Anodyne Cc1c(Br)c(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1Br ZINC000169704392 KK Annotated Anodyne Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000169704394 KK Annotated Anodyne COC(=O)c1cccc2c1CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704395 KK Annotated Anodyne COC(=O)c1cccc2c1CCC[C@@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704396 KK Annotated Anodyne COC(=O)c1ccc2c(c1Br)CCC[C@@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704397 KK Annotated Anodyne COC(=O)c1ccc2c(c1Br)CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704398 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(-c5nnn[nH]5)ccc43)s2)c1 ZINC000169704401 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(-c5nnn[nH]5)ccc43)s2)c1 ZINC000169704402 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NS(=O)(=O)C5CC5)ccc43)s2)c1 ZINC000169704404 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CCC[C@]3(O)c2ncc(-c3cc(C)cc(Nc4cc(C(F)(F)F)ccn4)n3)s2)cc1 ZINC000169704405 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)NS(=O)(=O)C(F)(F)F)ccc43)s2)c1 ZINC000169704406 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)Nc5nnn[nH]5)ccc43)s2)c1 ZINC000169704407 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc2c(c1)CCC[C@]2(O)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704408 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CCC[C@@]2(F)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704409 KK Annotated Anodyne COC(=O)c1ccc2c(c1)CCC[C@]2(F)c1ncc(-c2cc(C)cc(Nc3cc(C(F)(F)F)ccn3)n2)s1 ZINC000169704410 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000169704411 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000169704412 KK Annotated Anodyne CCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000169704414 KK Annotated Anodyne CCOc1ccnc(Nc2cc(C)cc(-c3cnc([C@]4(O)CCCc5cc(C(=O)O)ccc54)s3)n2)c1 ZINC000169704415 KK Annotated Anodyne Cc1cc(Nc2cc(C(C)C)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000169704416 KK Annotated Anodyne Cc1cc(Nc2cc(C(C)C)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(C(=O)O)ccc43)s2)c1 ZINC000169704417 KK Annotated Anodyne C=CCNC1=N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000169704466 KK Annotated Mild C=CCNC1=N[C@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1ccc(C(F)(F)F)cc1 ZINC000169704467 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCC2CC2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704468 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCC2CC2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704469 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2cccc(C(F)(F)F)c2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704470 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2cccc(C(F)(F)F)c2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704471 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704476 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704477 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704478 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704479 KK Annotated Mild C=CCNC1=N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000169704480 KK Annotated Mild C=CCNC1=N[C@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1cccc(C(F)(F)F)c1 ZINC000169704481 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704482 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCC2CC2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704483 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704485 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704487 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704490 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704491 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704494 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704495 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704496 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704497 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccccc1C(F)(F)F ZINC000169704498 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000169704499 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccccc1 ZINC000169704502 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccccc1 ZINC000169704503 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1cccc(Cl)c1 ZINC000169704504 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1cccc(Cl)c1 ZINC000169704505 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(Cl)cc1 ZINC000169704506 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(Cl)cc1 ZINC000169704507 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(F)cc1 ZINC000169704508 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(F)cc1 ZINC000169704509 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1cccc(F)c1 ZINC000169704510 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1cccc(F)c1 ZINC000169704511 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1CCc1ccccc1 ZINC000169704514 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1CCc1ccccc1 ZINC000169704515 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccccc1 ZINC000169704516 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccccc1 ZINC000169704517 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccccc1 ZINC000169704520 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1 ZINC000169704521 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=N[C@H]1c1cccc(Cl)c1 ZINC000169704522 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=N[C@@H]1c1cccc(Cl)c1 ZINC000169704523 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(Cl)c1 ZINC000169704524 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000169704525 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1 ZINC000169704526 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@@H]1c1cccc(F)c1 ZINC000169704527 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(F)c1 ZINC000169704528 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(F)c1 ZINC000169704529 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=N[C@H]1c1cccc(F)c1 ZINC000169704530 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3c(c2)OCO3)=N[C@@H]1c1cccc(F)c1 ZINC000169704531 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@H]1c1ccc(Cl)cc1 ZINC000169704534 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000169704535 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(Cl)cc1 ZINC000169704536 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000169704537 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(Cl)cc1 ZINC000169704538 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000169704539 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cccc(C(F)(F)F)c2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169704544 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cccc(C(F)(F)F)c2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169704545 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000169704546 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000169704547 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@H]1CCc1ccccc1 ZINC000169704550 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@@H]1CCc1ccccc1 ZINC000169704551 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2nc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)sc2C1 ZINC000169704612 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(/N=C/[C@@H](C=N)c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)CC1 ZINC000169704613 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(/N=C/[C@H](C=N)c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)CC1 ZINC000169704614 KK Annotated Mild O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ncc(C(F)(F)F)c(NC5CCC5)n4)ccn23)c1 ZINC000169704656 KK Annotated Anodyne CN(C)c1cc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc(C(F)(F)F)n1 ZINC000169704679 KK Annotated Anodyne Cc1cn2nc(-c3ccn4c(-c5cc(NC(=O)NCC(F)(F)F)cc(OC(C)C)c5)cnc4c3)sc2n1 ZINC000169704705 KK Annotated Anodyne CC(C)COC(=O)Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704716 KK Annotated Anodyne Nc1nc(-c2ccn3c(-c4cc(NC(=O)NCC(F)(F)F)cc(OC5CCCC5)c4)cnc3c2)ncc1F ZINC000169704723 KK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(Br)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704740 KK Annotated Anodyne O=C(NCC(F)(F)F)Nc1cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)cc(C(F)(F)F)c1 ZINC000169704742 KK Annotated Mild O=C(NCC(F)(F)F)Nc1cc(Cl)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704743 KK Annotated Anodyne COc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704744 KK Annotated Anodyne N#Cc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704745 KK Annotated Mild N#CCc1cc(NC(=O)NCC(F)(F)F)cc(-c2cnc3cc(-c4ccnc(C(F)(F)F)n4)ccn23)c1 ZINC000169704754 KK Annotated Mild CCCCOC(=O)Nc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F ZINC000169704758 KK Annotated Anodyne CC(C)(C)OC(=O)NCC1CCN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)CC1 ZINC000169704761 KK Annotated Anodyne COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cc(Br)cs1 ZINC000169704805 KK Annotated Mild COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(-c2csc(C)n2)c1 ZINC000169704813 KK Annotated Mild COc1ccc(F)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705359 KK Annotated Anodyne COc1ccc(F)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705360 KK Annotated Anodyne COc1cccc(F)c1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705361 KK Annotated Anodyne COc1cccc(F)c1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705362 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nc(-c3ccccc3OC(F)(F)F)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000169705363 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nc(-c3ccccc3OC(F)(F)F)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000169705364 KK Annotated Anodyne COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705365 KK Annotated Mild COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705366 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705367 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705368 KK Annotated Anodyne COc1ccncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705369 KK Annotated Anodyne COc1ccncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705370 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705371 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705372 KK Annotated Anodyne COc1ncccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705373 KK Annotated Anodyne COc1ncccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705374 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705375 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705376 KK Annotated Anodyne CNC(=O)c1ccc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705377 KK Annotated Anodyne CNC(=O)c1ccc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705378 KK Annotated Anodyne COc1ccc(C(=O)NCCO)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705379 KK Annotated Anodyne COc1ccc(C(=O)NCCO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705380 KK Annotated Anodyne COc1ccc(C(=O)NC(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705381 KK Annotated Anodyne COc1ccc(C(=O)NC(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705382 KK Annotated Anodyne COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705383 KK Annotated Anodyne COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705384 KK Annotated Anodyne COc1ccc(C(=O)N2CC(O)C2)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705385 KK Annotated Anodyne COc1ccc(C(=O)N2CC(O)C2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705386 KK Annotated Anodyne COc1cnccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705387 KK Annotated Anodyne COc1cnccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705388 KK Annotated Anodyne COc1ccc(CN)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705389 KK Annotated Anodyne COc1ccc(CN)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705390 KK Annotated Anodyne COc1ccc(CNC(C)=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705391 KK Annotated Anodyne COc1ccc(CNC(C)=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705392 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705393 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705394 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705395 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705396 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705397 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705398 KK Annotated Anodyne COc1cc(CO)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705399 KK Annotated Anodyne COc1cc(CO)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705400 KK Annotated Anodyne COc1cc(CO)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705401 KK Annotated Anodyne COc1cc(CO)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705402 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705403 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705404 KK Annotated Anodyne COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705405 KK Annotated Mild COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705406 KK Annotated Mild COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705407 KK Annotated Anodyne COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705408 KK Annotated Anodyne COc1cc(C#N)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705409 KK Annotated Mild COc1cc(C#N)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705410 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705411 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705412 KK Annotated Anodyne COc1cc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)nn1 ZINC000169705413 KK Annotated Anodyne COc1cc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)nn1 ZINC000169705414 KK Annotated Anodyne COc1ccc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705415 KK Annotated Anodyne COc1ccc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705416 KK Annotated Anodyne COc1ncncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705417 KK Annotated Anodyne COc1ncncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705418 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705419 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705420 KK Annotated Anodyne COc1ccc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705421 KK Annotated Anodyne COc1ccc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705422 KK Annotated Anodyne CCc1nc(OC)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705423 KK Annotated Anodyne CCc1nc(OC)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705424 KK Annotated Anodyne CCc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705425 KK Annotated Mild CCc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705426 KK Annotated Mild COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705427 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705428 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705429 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705430 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705431 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705432 KK Annotated Anodyne COc1nc(N(C)CCO)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705433 KK Annotated Anodyne COc1nc(N(C)CCO)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705434 KK Annotated Anodyne COc1nc(NCCO)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705435 KK Annotated Anodyne COc1nc(NCCO)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705436 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705437 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705438 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705439 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705440 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705441 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000169705442 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705449 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705450 KK Annotated Anodyne CCc1nc(OC)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705451 KK Annotated Anodyne CCc1nc(OC)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705452 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705453 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705454 KK Annotated Anodyne CCc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705455 KK Annotated Mild CCc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705456 KK Annotated Mild COc1ncncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705457 KK Annotated Anodyne COc1ncncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705458 KK Annotated Anodyne COc1nc(N(C)CCO)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705459 KK Annotated Anodyne COc1nc(N(C)CCO)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705460 KK Annotated Anodyne COc1nc(NCCO)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705461 KK Annotated Anodyne COc1nc(NCCO)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705462 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705463 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705464 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705465 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705466 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705467 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2cccc(Cl)c2F)cc1 ZINC000169705468 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705469 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705470 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705471 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(NC)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705472 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705473 KK Annotated Anodyne [C-]#[N+]c1ccc([C@H]2c3c(nc(-c4cnc(N(C)C)nc4OC)n3C(C)C)C(=O)N2c2ccc(F)c(Cl)c2)cc1 ZINC000169705474 KK Annotated Anodyne COc1nc(N2CC(C)(O)C2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705475 KK Annotated Anodyne COc1nc(N2CC(C)(O)C2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705476 KK Annotated Anodyne COc1nc(N2CC(C)(O)C2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705477 KK Annotated Anodyne COc1nc(N2CC(C)(O)C2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705478 KK Annotated Anodyne COc1nc(N2CC(O)C2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705479 KK Annotated Anodyne COc1nc(N2CC(O)C2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705480 KK Annotated Anodyne COc1nc(N2CC(O)C2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705481 KK Annotated Anodyne COc1nc(N2CC(O)C2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705482 KK Annotated Anodyne COc1cc(CN)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705483 KK Annotated Anodyne COc1cc(CN)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705484 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705485 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705486 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705493 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705494 KK Annotated Anodyne COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705495 KK Annotated Anodyne COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705496 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705497 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705498 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccn1)C2=O ZINC000169705499 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccn1)C2=O ZINC000169705500 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cncc(Cl)c2)C3=O)c(OC)n1 ZINC000169705501 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cncc(Cl)c2)C3=O)c(OC)n1 ZINC000169705502 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O ZINC000169705503 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O ZINC000169705504 KK Annotated Anodyne COc1cc(C(=O)N(C)C)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705505 KK Annotated Anodyne COc1cc(C(=O)N(C)C)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705506 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705511 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705512 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705513 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705514 KK Annotated Mild COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705515 KK Annotated Mild COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705516 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705517 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705518 KK Annotated Mild COc1ncc(-c2nc3c(n2C2CCC2)[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705527 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CCC2)[C@H](c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705528 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CCC2)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705529 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CCC2)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705530 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CCC2)[C@@H](c2ccc(C#N)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705531 KK Annotated Mild COc1ncc(-c2nc3c(n2C2CCC2)[C@H](c2ccc(C#N)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705532 KK Annotated Mild COc1ncc(-c2nc3c(n2C2CC2)[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705534 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CC2)[C@H](c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705536 KK Annotated Anodyne COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705542 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705543 KK Annotated Mild COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705556 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705557 KK Annotated Anodyne COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705558 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705559 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705560 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705561 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705562 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705563 KK Annotated Mild COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705564 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705565 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705566 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705568 KK Annotated Anodyne COc1cnc(N(C)CCO)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705569 KK Annotated Anodyne COc1cnc(N(C)CCO)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705570 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1[C@H](C)CO)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705571 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1[C@H](C)CO)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705572 KK Annotated Anodyne COc1cnc(N(C)CCO)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705573 KK Annotated Anodyne COc1cnc(N(C)CCO)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705574 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H]([C@@H]2CC[C@@H](C)CC2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705575 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H]([C@@H]2CC[C@@H](C)CC2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705576 KK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2C)c2c(nc(-c3cnc(OC)nc3OC)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000169705577 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2C)c2c(nc(-c3cnc(OC)nc3OC)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000169705578 KK Annotated Anodyne COc1ncc(-c2nc3c(n2[C@H](C)CO)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705579 KK Annotated Anodyne COc1ncc(-c2nc3c(n2[C@H](C)CO)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705580 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C#N)cc1C)C2=O ZINC000169705581 KK Annotated Mild COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(C#N)cc1C)C2=O ZINC000169705582 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2ccc(C#N)cc2C)C3=O)c(OC)n1 ZINC000169705583 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2ccc(C#N)cc2C)C3=O)c(OC)n1 ZINC000169705584 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C#N)C3=O)c(OC)n1 ZINC000169705585 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C#N)C3=O)c(OC)n1 ZINC000169705586 KK Annotated Mild COc1cnc(N(C)CCO)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705587 KK Annotated Anodyne COc1cnc(N(C)CCO)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705588 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cnc2O)C3=O)c(OC)n1 ZINC000169705589 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cnc2O)C3=O)c(OC)n1 ZINC000169705590 KK Annotated Anodyne CNC(=O)Cc1cc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)cn1 ZINC000169705597 KK Annotated Anodyne CNC(=O)Cc1cc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)cn1 ZINC000169705598 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cnc(O)c(Cl)c1)C2=O ZINC000169705599 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cnc(O)c(Cl)c1)C2=O ZINC000169705600 KK Annotated Anodyne COc1ccc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705605 KK Annotated Mild COc1ccc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705606 KK Annotated Mild COc1ncc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705607 KK Annotated Mild COc1ncc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705608 KK Annotated Mild COc1ncc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705609 KK Annotated Mild COc1ncc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705610 KK Annotated Mild COc1ncc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705611 KK Annotated Mild COc1ncc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705612 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705613 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705614 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705615 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705616 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705617 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705618 KK Annotated Mild CCOC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705619 KK Annotated Mild CCOC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705620 KK Annotated Mild COc1cnc(C(N)=O)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705621 KK Annotated Anodyne COc1cnc(C(N)=O)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705622 KK Annotated Anodyne COc1ncc(CC(=O)O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705623 KK Annotated Anodyne COc1ncc(CC(=O)O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705624 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cnc(O)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705625 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cnc(O)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705626 KK Annotated Anodyne COc1ncc(CC(=O)O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705631 KK Annotated Mild COc1ncc(CC(=O)O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705632 KK Annotated Mild CNC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705633 KK Annotated Anodyne CNC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705634 KK Annotated Anodyne CNC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705635 KK Annotated Mild CNC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705636 KK Annotated Mild COc1ncc(-c2nc3c(n2[C@@H](C)CO)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705637 KK Annotated Anodyne COc1ncc(-c2nc3c(n2[C@@H](C)CO)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705638 KK Annotated Anodyne CCOC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705639 KK Annotated Mild CCOC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705640 KK Annotated Mild CNC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705641 KK Annotated Mild CNC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705642 KK Annotated Mild CCOC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705643 KK Annotated Anodyne CCOC(=O)Cc1cnc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705644 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@](C)(c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705645 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@](C)(c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705646 KK Annotated Anodyne CNC(=O)Cc1ccc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705647 KK Annotated Anodyne CNC(=O)Cc1ccc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000169705648 KK Annotated Anodyne COc1ccc(CC(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705649 KK Annotated Anodyne COc1ccc(CC(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705650 KK Annotated Anodyne CNC(=O)Cc1ccc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705651 KK Annotated Anodyne CNC(=O)Cc1ccc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705652 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cnc1O)C2=O ZINC000169705653 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cnc1O)C2=O ZINC000169705654 KK Annotated Anodyne COC(=O)Cc1ccc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705659 KK Annotated Anodyne COC(=O)Cc1ccc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c1 ZINC000169705660 KK Annotated Anodyne COc1cnc(C#N)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705661 KK Annotated Mild COc1cnc(C#N)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705662 KK Annotated Mild COc1cnc(N(C)C)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705663 KK Annotated Anodyne COc1cnc(N(C)C)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705664 KK Annotated Anodyne COc1cnc(N(C)C)nc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705665 KK Annotated Anodyne COc1cnc(N(C)C)nc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705666 KK Annotated Anodyne COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705667 KK Annotated Anodyne COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705668 KK Annotated Anodyne COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705669 KK Annotated Anodyne COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705670 KK Annotated Anodyne COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705671 KK Annotated Anodyne COc1ccc(C(N)=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705672 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cnc2O)C3=O)c(OC)n1 ZINC000169705673 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cnc2O)C3=O)c(OC)n1 ZINC000169705674 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CC2)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705679 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C2CC2)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705680 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2C)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705681 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2C)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705682 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705683 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705684 KK Annotated Mild COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705685 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705686 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705687 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705688 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705689 KK Annotated Mild COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705690 KK Annotated Mild CCn1cc(OC)c(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)cc1=O ZINC000169705691 KK Annotated Mild CCn1cc(OC)c(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2)N(c2cc(Cl)ccc2C)C3=O)cc1=O ZINC000169705692 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705693 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705694 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705695 KK Annotated Mild COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705696 KK Annotated Mild COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705701 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705702 KK Annotated Anodyne COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705703 KK Annotated Mild COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705704 KK Annotated Mild COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705709 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705710 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705711 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705712 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705713 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705714 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cncc(Cl)c1)C2=O ZINC000169705719 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cncc(Cl)c1)C2=O ZINC000169705720 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705721 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705722 KK Annotated Anodyne COc1ccc(C(=O)NC(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705723 KK Annotated Anodyne COc1ccc(C(=O)NC(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705724 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C3=O)c(OC)n1 ZINC000169705725 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2)C3=O)c(OC)n1 ZINC000169705726 KK Annotated Anodyne COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O ZINC000169705727 KK Annotated Mild COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O ZINC000169705728 KK Annotated Mild COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1)C2=O ZINC000169705729 KK Annotated Anodyne COc1ccc(C(=O)N2CCOCC2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1)C2=O ZINC000169705730 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cccc(Cl)c2)C3=O)c(OC)n1 ZINC000169705731 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cccc(Cl)c2)C3=O)c(OC)n1 ZINC000169705732 KK Annotated Anodyne COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1)C2=O ZINC000169705733 KK Annotated Mild COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1)C2=O ZINC000169705734 KK Annotated Mild COc1cc(C(=O)NCCO)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705735 KK Annotated Anodyne COc1cc(C(=O)NCCO)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705736 KK Annotated Anodyne COc1cc(C(=O)NC(C)C)ccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705737 KK Annotated Anodyne COc1cc(C(=O)NC(C)C)ccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705738 KK Annotated Anodyne CCc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705739 KK Annotated Anodyne CCc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705740 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccn1)C2=O ZINC000169705741 KK Annotated Anodyne COc1ccc(CO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccn1)C2=O ZINC000169705742 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cnc1C)C2=O ZINC000169705743 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cnc1C)C2=O ZINC000169705744 KK Annotated Anodyne COc1ccc(CNC(=O)CO)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705745 KK Annotated Anodyne COc1ccc(CNC(=O)CO)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705746 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(CCO)c1)C2=O ZINC000169705747 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(CCO)c1)C2=O ZINC000169705748 KK Annotated Anodyne COCCn1cc(N2C(=O)c3nc(-c4ccccc4OC)n(C(C)C)c3[C@@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000169705749 KK Annotated Anodyne COCCn1cc(N2C(=O)c3nc(-c4ccccc4OC)n(C(C)C)c3[C@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000169705750 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705751 KK Annotated Anodyne COc1ccccc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000169705752 KK Annotated Anodyne CCn1cc(N2C(=O)c3nc(-c4ccccc4OC)n(C(C)C)c3[C@@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000169705753 KK Annotated Anodyne CCn1cc(N2C(=O)c3nc(-c4ccccc4OC)n(C(C)C)c3[C@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000169705754 KK Annotated Anodyne COc1ccc([C@@H](O)C(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705757 KK Annotated Anodyne COc1ccc([C@H](O)C(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705758 KK Annotated Anodyne COc1ccc([C@@H](O)C(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705759 KK Annotated Anodyne COc1ccc([C@H](O)C(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705760 KK Annotated Anodyne COc1ccc([C@@H](C)O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705761 KK Annotated Anodyne COc1ccc([C@H](C)O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705762 KK Annotated Anodyne COc1ccc([C@@H](C)O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705763 KK Annotated Anodyne COc1ccc([C@H](C)O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705764 KK Annotated Anodyne COc1nnc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705765 KK Annotated Anodyne COc1nnc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705766 KK Annotated Anodyne COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705767 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cn(C)c1=O)C2=O ZINC000169705768 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705769 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000169705770 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705771 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705772 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705773 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705774 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705775 KK Annotated Mild COc1cnc(CC#N)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000169705776 KK Annotated Mild COc1nn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705779 KK Annotated Anodyne COc1nn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705780 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cn1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705781 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cn1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705782 KK Annotated Anodyne CNc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)c(F)c2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705783 KK Annotated Mild CNc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(C#N)c(F)c2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705784 KK Annotated Mild COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)c(F)c1)N(c1cccc(Cl)c1F)C2=O ZINC000169705785 KK Annotated Mild COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)c(F)c1)N(c1cccc(Cl)c1F)C2=O ZINC000169705786 KK Annotated Mild COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705789 KK Annotated Mild COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(C#N)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705790 KK Annotated Mild COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705791 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705792 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705793 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(OC)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705794 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)c(C)c2)C3=O)c(OC)n1 ZINC000169705795 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2ccc(F)c(C)c2)C3=O)c(OC)n1 ZINC000169705796 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)ccc2OC)C3=O)c(OC)n1 ZINC000169705797 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)ccc2OC)C3=O)c(OC)n1 ZINC000169705798 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705801 KK Annotated Anodyne COc1nc(N)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705802 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(C)c1)C2=O ZINC000169705803 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(C)c1)C2=O ZINC000169705804 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)ccc1OC)C2=O ZINC000169705805 KK Annotated Anodyne COc1cn(C)c(=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)ccc1OC)C2=O ZINC000169705806 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cn2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705807 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cn2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000169705808 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C(F)F)c2)C3=O)c(OC)n1 ZINC000169705829 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)c(=O)n(C(F)F)c2)C3=O)c(OC)n1 ZINC000169705830 KK Annotated Anodyne CCn1cc(Cl)cc(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3[C@@H]2c2ccc(Cl)cc2)c1=O ZINC000169705831 KK Annotated Anodyne CCn1cc(Cl)cc(N2C(=O)c3nc(-c4cnc(OC)nc4OC)n(C(C)C)c3[C@H]2c2ccc(Cl)cc2)c1=O ZINC000169705832 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705833 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1 ZINC000169705834 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(Cl)cnc2OC)C3=O)c(OC)n1 ZINC000169705837 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cnc2OC)C3=O)c(OC)n1 ZINC000169705838 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1F)N(c1cccc(Cl)c1F)C2=O ZINC000169705841 KK Annotated Anodyne COc1nc(N(C)C)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1F)N(c1cccc(Cl)c1F)C2=O ZINC000169705842 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2c(F)c(C4CC4)nn2C)C3=O)c(OC)n1 ZINC000169705849 KK Annotated Anodyne COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2c(F)c(C4CC4)nn2C)C3=O)c(OC)n1 ZINC000169705850 KK Annotated Anodyne COc1nc(N2CCC[C@H](O)C2)ncc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705855 KK Annotated Mild COc1nc(N2CCC[C@H](O)C2)ncc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705856 KK Annotated Mild COC[C@@H](C)n1c(-c2cnc(N)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705857 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(N)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000169705858 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(N)nc2OC)nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705859 KK Annotated Anodyne COC[C@@H](C)n1c(-c2cnc(N)nc2OC)nc2c1[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O ZINC000169705860 KK Annotated Anodyne COc1ncc(-c2nc3c(n2[C@H](C)CO)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705861 KK Annotated Anodyne COc1ncc(-c2nc3c(n2[C@H](C)CO)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)c(OC)n1 ZINC000169705862 KK Annotated Anodyne COc1ncc(CC(=O)O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705869 KK Annotated Mild COc1ncc(CC(=O)O)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(C#N)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000169705870 KK Annotated Mild COc1ncc(-c2nc3c(n2C(C)C)[C@@H](c2ccc(C#N)c(F)c2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1 ZINC000169705871 KK Annotated Mild COC(=O)c1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1 ZINC000169705878 KK Annotated Anodyne Cc1ccccc1-c1nc2ccc(-c3cccc(N4CCOCC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1 ZINC000169705879 KK Annotated Anodyne NC1(c2ccc(-n3c(C4CCCCC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705880 KK Annotated Anodyne NC1(c2ccc(-n3c(-c4ccccn4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705890 KK Annotated Anodyne NC1(c2ccc(-n3c(-c4cccc(O)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705892 KK Annotated Anodyne COc1ccc(-c2nc3ccc(-c4cccc(N5CCOCC5)c4)nc3n2-c2ccc(C3(N)CCC3)cc2)cc1 ZINC000169705893 KK Annotated Anodyne NC1(c2ccc(-n3c(-c4cccc(F)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705894 KK Annotated Anodyne NC1(c2ccc(-n3c(-c4cccc(Cl)c4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705895 KK Annotated Anodyne NC1(c2ccc(-n3c(-c4ccc(Cl)cc4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1 ZINC000169705896 KK Annotated Anodyne CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(N(C)C)cc3)n2-c2ccc(N(C)C)cc2)c(O)cc1O ZINC000169706525 KK Annotated Reactive CC(C)c1cc(-c2nn(C(=O)[C@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@@H](N)Cc2ccccc2)cc1OC(=O)[C@@H](N)Cc1ccccc1 ZINC000169706528 KK Annotated Anodyne CC(C)c1cc(-c2nn(C(=O)[C@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c(OC(=O)[C@H](N)Cc2ccccc2)cc1OC(=O)[C@@H](N)Cc1ccccc1 ZINC000169706529 KK Annotated Anodyne CC(C)(OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)C(F)(F)F ZINC000169707172 KK Annotated Anodyne CC(OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F ZINC000169707275 KK Annotated Anodyne CC(OCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F ZINC000169707286 KK Annotated Anodyne CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCCOCc3ccccc3)c2)c1 ZINC000169707325 KK Annotated Anodyne CC(C)Oc1cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)ccc1F ZINC000169707342 KK Annotated Anodyne C[C@@H](OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2cccc(OCc3ccccc3)c2)c1)C(F)(F)F ZINC000169707347 KK Annotated Anodyne CC(C)Oc1ccc(F)c(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707372 KK Annotated Anodyne CC(C)Oc1cccc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1F ZINC000169707393 KK Annotated Anodyne CC(C)Oc1cc(F)cc(-n2nc(NC(=O)[C@@H]3CNC(=O)C3)cc2-c2cccc(CO[C@H](C)C(F)(F)F)c2)c1 ZINC000169707436 KK Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CCC(=O)NC3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707452 KK Annotated Anodyne C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@H]3CCC(=O)NC3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707453 KK Annotated Anodyne CC(C)(OCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707456 KK Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cccc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccc(Cl)cc3)n2)CN1 ZINC000169707457 KK Annotated Anodyne O=C1C[C@H](C(=O)Nc2cc(-c3cc(Cl)cc(COC(C(F)(F)F)C(F)(F)F)c3)n(-c3ccccc3)n2)CN1 ZINC000169707460 KK Annotated Anodyne CC(C)(OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(Cl)cc2)c1)C(F)(F)F ZINC000169707461 KK Annotated Anodyne CC(C)(OCc1cc(Cl)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccc(F)cc2)c1)C(F)(F)F ZINC000169707462 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)cccc3C#N)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@H]1C ZINC000169707634 KK Annotated Mild CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(-c2c(C)cccc2C)nc2c1CN(c1cc(C3(C)COC3)ccc1C)CC2 ZINC000169707635 KK Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(=O)c4ccccc4)c3)c2)c2cncnc21 ZINC000169707842 KK Annotated Anodyne CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(C(=O)c4ccccc4)cc3)c2)c2cncnc21 ZINC000169707843 KK Annotated Anodyne Cc1c(C(=O)O)nc(N[C@H](C)C2CCC2)c2c1nc(-c1cc(C(C)C)ccn1)n2Cc1ccc(C(F)(F)F)cc1 ZINC000169708084 KK Annotated Anodyne CC(C)c1ccnc(-c2nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169708085 KK Annotated Anodyne Cc1cccc(-c2nc3cc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000169708086 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708088 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3C(F)(F)F)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708089 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708090 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3c(N(C)C)c(C(=O)O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708094 KK Annotated Anodyne CNC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@@H]3CC[C@@H](C)CC3)c2c(-c2cncc(Cl)c2)n1 ZINC000169708097 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(C(=O)N(C)C)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708098 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(NS(C)(=O)=O)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708099 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3CF)nc3cc(C4=NC(=O)N=N4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708100 KK Annotated Anodyne COC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@@H]3CC[C@@H](C)CC3)c2c(-c2cncc(Cl)c2)n1 ZINC000169708101 KK Annotated Anodyne CCOC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(CC3CCC(C)CC3)c2c(-c2cncc(Cl)c2)n1 ZINC000169708102 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc([C@@H]4CC=CC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708103 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc([C@H]4CC=CC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000169708104 KK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N/N=C\c1cccc(C)n1 ZINC000169708253 KK Annotated Mild CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1ONC(=O)OC(C)(C)C ZINC000169708254 KK Annotated Anodyne CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC(C)(C)C ZINC000169708259 KK Annotated Reactive CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(C)N(C)C(=O)OC(C)(C)C ZINC000169708260 KK Annotated Reactive CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(/N=C/c1cccc(C)n1)C(=O)OC(C)(C)C ZINC000169708261 KK Annotated Reactive CCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708266 KK Annotated Anodyne CCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708267 KK Annotated Anodyne CCCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708280 KK Annotated Anodyne CCCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708281 KK Annotated Anodyne CCCN(C=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708282 KK Annotated Anodyne CCCN(C=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708283 KK Annotated Anodyne CCCCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708284 KK Annotated Anodyne CCCCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708285 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(C(C)=O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708286 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(C(C)=O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708287 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(N(CCCO)C(C)=O)CC1)C(=O)C2 ZINC000169708288 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(N(CCCO)C(C)=O)CC1)C(=O)C2 ZINC000169708289 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@H](O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708294 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@H](O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708295 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@H](O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708296 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@H](O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708297 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(C(=O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708298 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(C(=O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708299 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708300 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708301 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708302 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)C3CCOCC3)CC1)C(=O)C2 ZINC000169708303 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@H](O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708304 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@H](O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708305 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@H](O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708306 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@H](O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708307 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC(C(=O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708308 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC(C(=O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708309 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708310 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708311 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708312 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)c3cccc(F)c3)CC1)C(=O)C2 ZINC000169708313 KK Annotated Anodyne CC[C@@](O)(c1cccc(F)c1)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708314 KK Annotated Anodyne CC[C@](O)(c1cccc(F)c1)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708315 KK Annotated Anodyne CC[C@@](O)(c1cccc(F)c1)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708316 KK Annotated Anodyne CC[C@](O)(c1cccc(F)c1)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708317 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)CC(C)C)CC1)C(=O)C2 ZINC000169708318 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)CC(C)C)CC1)C(=O)C2 ZINC000169708319 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)CC(C)C)CC1)C(=O)C2 ZINC000169708320 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)CC(C)C)CC1)C(=O)C2 ZINC000169708321 KK Annotated Anodyne CCCC[C@@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708322 KK Annotated Anodyne CCCC[C@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000169708323 KK Annotated Anodyne CCCC[C@@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708324 KK Annotated Anodyne CCCC[C@](C)(O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@H]2c2ccc(Cl)cc2)CC1 ZINC000169708325 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)CCC(C)C)CC1)C(=O)C2 ZINC000169708326 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)CCC(C)C)CC1)C(=O)C2 ZINC000169708327 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)CCC(C)C)CC1)C(=O)C2 ZINC000169708328 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)CCC(C)C)CC1)C(=O)C2 ZINC000169708329 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)c3ccoc3)CC1)C(=O)C2 ZINC000169708330 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@@](C)(O)c3ccoc3)CC1)C(=O)C2 ZINC000169708331 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)c3ccoc3)CC1)C(=O)C2 ZINC000169708332 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(C1CCC([C@](C)(O)c3ccoc3)CC1)C(=O)C2 ZINC000169708333 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709031 KK Annotated Mild COC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3[C@@H]3CC[C@H]4[C@@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)OC(=O)N34)c(OC)cc2F)c(C)c1 ZINC000169709032 KK Annotated Mild COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709033 KK Annotated Mild COc1ccc([C@@H]2C[C@@H](C(=O)O)C2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709034 KK Annotated Mild COc1ccc(C#N)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709035 KK Annotated Mild COc1ncc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709036 KK Annotated Mild COc1ncc(Cl)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709037 KK Annotated Mild N#Cc1cscc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709038 KK Annotated Mild COc1ccc(C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709039 KK Annotated Mild COc1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709040 KK Annotated Mild O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3-c3ccccc3Cl)N12 ZINC000169709041 KK Annotated Mild Cc1cocc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709042 KK Annotated Mild O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3C3=CCCCC3)N12 ZINC000169709043 KK Annotated Mild O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3-c3ccsc3)N12 ZINC000169709044 KK Annotated Mild COc1ccc(F)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709045 KK Annotated Mild N#Cc1cccc(-c2ccc(C(F)(F)F)cc2[C@@H]2CC[C@H]3[C@@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)OC(=O)N23)c1 ZINC000169709046 KK Annotated Mild COc1ncccc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709047 KK Annotated Mild O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3C3=CCCC3)N12 ZINC000169709048 KK Annotated Mild O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3-c3cc(Cl)ccc3F)N12 ZINC000169709049 KK Annotated Mild Cc1cscc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709050 KK Annotated Mild O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3-c3cc(F)ccc3F)N12 ZINC000169709051 KK Annotated Mild Cc1ccc(Cl)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709052 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709053 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709054 KK Annotated Mild COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709055 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cccc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709056 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(Cl)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709058 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1cnc(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709059 KK Annotated Mild COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709060 KK Annotated Mild COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709061 KK Annotated Anodyne COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709062 KK Annotated Anodyne COc1ccc(-c2cnc(C(=O)O)cc2C)cc1-c1ccc(F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709064 KK Annotated Mild COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709065 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709066 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1cnc(N(C)C)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709067 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CCC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709068 KK Annotated Mild COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CCC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709069 KK Annotated Mild COc1ncc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709070 KK Annotated Mild COc1cc(F)c(CCC(=O)O)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CCC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709071 KK Annotated Mild COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(N(C)C)nc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709072 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1cnc(N(C)C)nc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709073 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1cnc(N(C)C)cc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709074 KK Annotated Mild COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709075 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709076 KK Annotated Mild COc1ccc(C2CCC(C(=O)O)CC2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709077 KK Annotated Anodyne COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709078 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709079 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709080 KK Annotated Anodyne COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709081 KK Annotated Mild COc1ccc([C@@H]2CC[C@@H](C(=O)O)CC2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709082 KK Annotated Mild COc1ccc([C@H]2C[C@H](O)[C@H](O)C2)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709083 KK Annotated Mild COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1cc(C)c(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709084 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1cc(C)c(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709085 KK Annotated Mild COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709086 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709087 KK Annotated Mild COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709088 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709089 KK Annotated Mild Cc1cc(C(=O)O)ccc1-c1cnc(C)c(-c2ccc(C(F)(F)F)cc2[C@@H]2CC[C@H]3[C@@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)OC(=O)N23)c1 ZINC000169709090 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709091 KK Annotated Mild COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709092 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709093 KK Annotated Mild COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709094 KK Annotated Mild COc1ccc([C@@H]2CCC(=O)N[C@@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709095 KK Annotated Mild COc1ccc([C@H]2CCC(=O)N[C@@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709096 KK Annotated Mild COc1ccc([C@@H]2CCC(=O)N[C@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709097 KK Annotated Mild COc1ccc([C@H]2CCC(=O)N[C@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709098 KK Annotated Mild COc1ccc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709099 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ncc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709100 KK Annotated Mild COc1ccc([C@H]2CNC(=O)OC2(C)C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709101 KK Annotated Mild COc1ccc([C@H]2OC(=O)N[C@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709102 KK Annotated Mild COc1ccc([C@@H]2CC(=O)N[C@H]2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709103 KK Annotated Mild COc1ncc(-c2c(C)cc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)nc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709104 KK Annotated Mild COc1ncc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cccc(C(F)(F)F)c3)OC(=O)N12 ZINC000169709105 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(NCC5CC5)c4Cl)C3)cc2)s1 ZINC000169709376 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(NCC(F)F)c4F)C3)cc2)s1 ZINC000169709377 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(NCC5CC5)c4F)C3)cc2)s1 ZINC000169709378 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(NCC(F)F)c4Cl)C3)cc2)s1 ZINC000169709379 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709380 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@@H]5CC5(F)F)cn4)C3)cc2)s1 ZINC000169709381 KK Annotated Anodyne CO[C@H]1C/C=C\c2nc(co2)-c2nc(co2)-c2nc(co2)[C@H](OC)[C@@H](C)[C@H](N=[N+]=[N-])C[C@@H](C)C[C@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H]1C ZINC000169709452 KK Annotated Clean CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@H](OC)[C@@H](C)[C@H](N=[N+]=[N-])C[C@@H](C)C[C@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H]1C ZINC000169709454 KK Annotated Clean CO[C@H]1C/C=C\c2nc(co2)-c2nc(co2)-c2nc(co2)[C@H](OC)[C@@H](C)[C@H](N=[N+]=[N-])C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H]1C ZINC000169709456 KK Annotated Clean CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@H](OC)[C@@H](C)[C@H](N=[N+]=[N-])C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H]1C ZINC000169709458 KK Annotated Clean CC(=O)Nc1cc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)s1 ZINC000169709486 KK Annotated Anodyne CC(=O)Nc1cc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@H]3CCN(c4cccc(C(F)(F)F)n4)C3)cc2)s1 ZINC000169709487 KK Annotated Anodyne CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccnc(OCC5CC5)c4Cl)C3)cc2)s1 ZINC000169709852 KK Annotated Anodyne Cc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n([C@H](C)c2ccc(F)c(F)c2)n1 ZINC000169710217 KK Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C(C)C ZINC000169710223 KK Annotated Mild Cc1cc(C(=O)NCC#Cc2ccc3ncc4nc(C)n(C(C)C)c4c3c2)c(=O)n([C@@H](C)c2ccc(F)c(F)c2)n1 ZINC000169710227 KK Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C(C)C)CC1 ZINC000169710245 KK Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cccn([C@@H](C)c5ccc(F)c(F)c5)c4=O)cc3c2n1C1CCN(C(C)C)CC1 ZINC000169710246 KK Annotated Mild CC(C)N1CCC(n2cnc3cnc4ccc(C#CCNC(=O)c5cccn([C@@H](C)c6ccc(F)c(F)c6)c5=O)cc4c32)CC1 ZINC000169710252 KK Annotated Mild Cc1nc2cnc3ccc(C#CCNC(=O)c4cc(Cl)nn(Cc5ccc(F)c(F)c5)c4=O)cc3c2n1CCc1ccccc1 ZINC000169710255 KK Annotated Mild Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@@](O)(C(F)(F)F)CC[C@@]21Cc1ccccc1 ZINC000169710319 KK Annotated Anodyne Cc1c(NC(=O)c2ccc3c(c2)CC[C@@H]2C[C@@](O)(C(F)(F)F)CC[C@@]32Cc2ccccc2)ccc[n+]1[O-] ZINC000169710320 KK Annotated Anodyne O=C(NCc1nnc2ccccn12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2)O3)s1 ZINC000169710442 KK Annotated Anodyne O=C(NCc1nnc2ccccn12)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2)O3)s1 ZINC000169710443 KK Annotated Anodyne CC[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccc(OC)nc1 ZINC000169710450 KK Annotated Anodyne CC[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccc(OC)nc1 ZINC000169710451 KK Annotated Anodyne O=C(NCc1ccnc(N2CCCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710459 KK Annotated Anodyne O=C(NCc1ccnc(N2CCCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710460 KK Annotated Anodyne CC[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccc(OC)nc1 ZINC000169710461 KK Annotated Anodyne CC[C@@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccc(OC)nc1 ZINC000169710462 KK Annotated Anodyne O=C(NCc1ccnc(N2CCOCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710463 KK Annotated Anodyne O=C(NCc1ccnc(N2CCOCC2)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 ZINC000169710464 KK Annotated Anodyne O=C(NCc1ccncc1)c1sc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)nc1C(F)(F)F ZINC000169710467 KK Annotated Anodyne O=C(NCc1ccncc1)c1sc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)nc1C(F)(F)F ZINC000169710468 KK Annotated Anodyne C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1nc(C2CC2)cs1 ZINC000169710498 KK Annotated Anodyne C[C@H](NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1nc(C2CC2)cs1 ZINC000169710499 KK Annotated Anodyne CC(C)c1csc([C@H](C)NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)n1 ZINC000169710500 KK Annotated Anodyne CC(C)c1csc([C@H](C)NC(=O)c2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)n1 ZINC000169710501 KK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)c1ccnc(N2CCOCC2)c1 ZINC000169710552 KK Annotated Anodyne O=C(NCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)c1ccnc(N2CCOCC2)c1 ZINC000169710553 KK Annotated Anodyne CC(C)Oc1cccc([C@@H]2CCc3cc(Oc4ncc(C(=O)NCc5ccncc5)s4)ccc3O2)c1 ZINC000169710571 KK Annotated Anodyne CC(C)Oc1cccc([C@H]2CCc3cc(Oc4ncc(C(=O)NCc5ccncc5)s4)ccc3O2)c1 ZINC000169710572 KK Annotated Anodyne CN1CCOc2cc(S(=O)(=O)NCc3cnc(Oc4ccc5c(c4)CC[C@@H](c4ccccc4)O5)s3)ccc21 ZINC000169710580 KK Annotated Anodyne CN1CCOc2cc(S(=O)(=O)NCc3cnc(Oc4ccc5c(c4)CC[C@H](c4ccccc4)O5)s3)ccc21 ZINC000169710581 KK Annotated Anodyne Cc1nc2ccc(S(=O)(=O)NCc3cnc(Oc4ccc5c(c4)CC[C@@H](c4ccccc4)O5)s3)cc2s1 ZINC000169710582 KK Annotated Anodyne Cc1nc2ccc(S(=O)(=O)NCc3cnc(Oc4ccc5c(c4)CC[C@H](c4ccccc4)O5)s3)cc2s1 ZINC000169710583 KK Annotated Anodyne Cc1nc(C)c(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)s1 ZINC000169710584 KK Annotated Anodyne Cc1nc(C)c(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)s1 ZINC000169710585 KK Annotated Anodyne Cc1c(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)cnn1C(C)C ZINC000169710593 KK Annotated Anodyne Cc1c(S(=O)(=O)NCc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)cnn1C(C)C ZINC000169710594 KK Annotated Anodyne CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 ZINC000169710619 KK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccc(Cl)nc2)O3)s1 ZINC000169710681 KK Annotated Anodyne O=C(NCc1ccnc(Cl)c1)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccc(Cl)nc2)O3)s1 ZINC000169710682 KK Annotated Anodyne CCc1ccccc1[C@@H]1CCc2cc(Oc3ncc(C(=O)NCCc4c(C)noc4C)s3)ccc2O1 ZINC000169710705 KK Annotated Anodyne CCc1ccccc1[C@H]1CCc2cc(Oc3ncc(C(=O)NCCc4c(C)noc4C)s3)ccc2O1 ZINC000169710706 KK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(OC)c2F)O3)s1 ZINC000169710756 KK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(OC)c2F)O3)s1 ZINC000169710757 KK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccc(F)c2OC)O3)s1 ZINC000169710767 KK Annotated Anodyne CCn1nccc1CNC(=O)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccc(F)c2OC)O3)s1 ZINC000169710768 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCOc2ccc3c(c2)[C@@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)CC1 ZINC000169710795 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCCOc2ccc3c(c2)[C@H](C2(c4ccc(Cl)cc4)CCC2)NCC3)CC1 ZINC000169710796 KK Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2ccc(C(F)(F)F)nc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O ZINC000169711063 KK Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3cccc(C(F)(F)F)c3)c(=O)n2Cc2ccccc2)c1O ZINC000169711098 KK Annotated Anodyne O=C(O)CCNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3C(F)(F)F)c(=O)n2Cc2ccccc2)c1O ZINC000169711099 KK Annotated Anodyne C#Cc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)n2)cc(C(=O)NCCOCCOCCOC)c1 ZINC000169711318 KK Annotated Mild Cc1cc(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OCC=O)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC000169711321 KK Annotated Mild CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC)ccn3)cc2)CC1 ZINC000169711489 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCCF)CC5)cc4)c3)c(OC)cc21 ZINC000169711492 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCC(N6CCCC6)CC5)cc4)c3)c(OC)cc21 ZINC000169711498 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1 ZINC000169711505 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC)CC3)cc2)c1 ZINC000169711506 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCNCC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711507 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711508 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c(OCCOC)cc21 ZINC000169711513 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCNCC3)cc2)c1 ZINC000169711514 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(CC)C3)cc2)c1 ZINC000169711516 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC)CC3)nc2)c1 ZINC000169711518 KK Annotated Anodyne CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCF)ccn3)cc2)CC1 ZINC000169711524 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CC(C)(C)O)CC5)cc4)c3)c(OC)cc21 ZINC000169711541 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c(OC)cc21 ZINC000169711542 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CN(C(C)C)C5)cc4)c3)c(OC)cc21 ZINC000169711544 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC(C)(C)O)CC3)cc2)c1 ZINC000169711550 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C(C)C)CC3)cc2)c1 ZINC000169711551 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C[C@@H](C)O)CC3)cc2)c1 ZINC000169711552 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C[C@H](C)O)CC3)cc2)c1 ZINC000169711553 KK Annotated Anodyne CCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(N3CCC(N4CCCC4)CC3)cc2)c1 ZINC000169711554 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711558 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711559 KK Annotated Anodyne CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OC(C)C)ccn3)cc2)CC1 ZINC000169711560 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(CN5CCC(O)CC5)cc4)c3)c(OC(C)C)cc21 ZINC000169711562 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OCCCF)cc21 ZINC000169711566 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OCCCF)cc21 ZINC000169711567 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)nc4)c3)c(OCCOC)cc21 ZINC000169711569 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CN(C(C)C)C5)cc4)c3)c(OCCOC)cc21 ZINC000169711580 KK Annotated Anodyne CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCOC)ccn3)cc2)CC1 ZINC000169711584 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C(C)C)CC3)nc2)c1 ZINC000169711586 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CN(C(C)C)C3)cc2)c1 ZINC000169711590 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C(C)C)CC3)cc2)c1 ZINC000169711593 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C[C@@H](C)O)CC3)cc2)c1 ZINC000169711594 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C[C@H](C)O)CC3)cc2)c1 ZINC000169711595 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC)CC3)cc2)c1 ZINC000169711596 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CC(C)(C)O)CC3)cc2)c1 ZINC000169711603 KK Annotated Anodyne CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1 ZINC000169711604 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CN(C(C)C)C5)cc4)c3)c(OCCCOC)cc21 ZINC000169711613 KK Annotated Anodyne CCN1CC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCOC)ccn3)cc2)C1 ZINC000169711614 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@@H](C)O)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711615 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C[C@H](C)O)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711616 KK Annotated Anodyne CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c(OCCCOC)cc21 ZINC000169711617 KK Annotated Anodyne CCN1CCC(c2ccc(C(=O)Nc3cc(Oc4cc5ccn(C(=O)NC)c5cc4OCCCOC)ccn3)cc2)CC1 ZINC000169711619 KK Annotated Anodyne CN1C(C)(C)CC(Oc2cc(OC3CC(C)(C)N(C)C(C)(C)C3)c(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)cc2C#N)CC1(C)C ZINC000169711968 KK Annotated Mild CCCC(=O)OC1=C(C(=O)c2cccnc2)[C@@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169712356 KK Annotated Mild CCCC(=O)OC1=C(C(=O)c2cccnc2)[C@H](c2ccc(C(=O)OC)cc2)N(CCc2c(C)[nH]c3ccccc23)C1=O ZINC000169712357 KK Annotated Mild Cc1cc2c(C(C)C)c(O)c(O)c(CN=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(CN=O)c2c1O ZINC000169712463 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([CH-]/N=N/c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169713605 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([CH-]/N=N/c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169713606 KK Annotated Clean CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([CH-]/N=N/c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169713607 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([CH-]/N=N/c5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000169713608 KK Annotated Clean C=CCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000169714009 KK Annotated Mild C=CCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)/C(C)=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000169714010 KK Annotated Mild C=CCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000169714011 KK Annotated Mild C=CCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)/C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C\O[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000169714012 KK Annotated Mild CCOC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc(-c2cccnc2)c1 ZINC000169714454 KK Annotated Anodyne CCOC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc(-c2cccnc2)c1 ZINC000169714455 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)[C@@H]3O[C@@H](c4ccc(OC)cc4OC)N(C(=O)OC(C)(C)C)[C@H]3CC(C)C)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169714462 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(=O)[C@@H]3O[C@H](c4ccc(OC)cc4OC)N(C(=O)OC(C)(C)C)[C@H]3CC(C)C)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000169714464 KK Annotated Mild O=C1C(=O)c2ccccc2C(=O)/C1=C(\c1ccc(Cl)c(Cl)c1)c1c(O)c(O)c2ccccc2c1O ZINC000169714728 KK Annotated Mild CC1=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(=O)[C@H]1C(=O)O ZINC000169715161 KK Annotated Clean CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(=O)[C@H]1C(=O)O ZINC000169715162 KK Annotated Clean CC1=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(=O)[C@H]1C(=O)O ZINC000169715163 KK Annotated Clean CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(=O)[C@H]1C(=O)O ZINC000169715164 KK Annotated Clean CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000169715528 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](OCc1ccccc1)[C@H](CO[C@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O)NC(=O)CCCCCCCCCCCCCCC ZINC000169715529 KK Annotated Mild C[C@]12CO[C@@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1 ZINC000169715559 KK Annotated Reactive C[C@@]12CO[C@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@]32CP(=O)(c1ccccc1)c1ccccc1 ZINC000169715560 KK Annotated Reactive C[C@]12CO[C@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1 ZINC000169715562 KK Annotated Reactive CO[C@@H]1C[C@@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169715602 KK Annotated Anodyne CO[C@H]1C[C@@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169715603 KK Annotated Anodyne CO[C@@H]1C[C@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169715604 KK Annotated Anodyne CO[C@H]1C[C@H](C)C[C@@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000169715605 KK Annotated Anodyne O[C@@H](c1ccccc1)C1(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C731 ZINC000169715615 KK Annotated Bother O[C@H](c1ccccc1)C1(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C731 ZINC000169715616 KK Annotated Bother N#C[C@@H](C(=N)Sc1ccccc1Br)[C@@H](C#N)C(=N)Sc1ccccc1Br ZINC000169715840 KK Annotated Mild CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716307 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716308 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C3=CC(=O)/C(=C(\C)C=O)C[C@@]32C)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716311 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C3=CC(=O)/C(=C(\C)C=O)C[C@@]32C)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716312 KK Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C3=CC(=O)/C(=C(\C)C=O)C[C@@]32C)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716313 KK Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716314 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716315 KK Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716316 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716318 KK Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O/C(=N\C2CCCCC2)NC2CCCCC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716319 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O/C(=N\C2CCCCC2)NC2CCCCC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716320 KK Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716321 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716322 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C4=CC(=O)/C(=C(\C)C=O)C[C@@]43C)CC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716323 KK Annotated Reactive CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C4=CC(=O)/C(=C(\C)C=O)C[C@@]43C)CC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716324 KK Annotated Reactive CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C4=CC(=O)/C(=C(\C)C=O)C[C@@]43C)CC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 ZINC000169716325 KK Annotated Reactive CCCCN(CCCC)CCCNC(=O)CC/C=C/c1c(CCCCC(=O)NCCCN(CCCC)CCCC)c(O)c2cccc(O)c2c1O ZINC000169716356 KK Annotated Anodyne Cc1c(/C=C/CCC(=O)NCCCNCCCNC(=O)CC/C=C/c2c(C)c(O)c3cccc(O)c3c2O)c(O)c2c(O)cccc2c1O ZINC000169716357 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CCN(CCCCCCCCCCN1CC[C@@]34C=C[C@H](O)C[C@H]3Oc3c(OC)ccc(c34)C1)C2 ZINC000169716359 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CCN(CCCCCCCCN1CC[C@@]34C=C[C@H](O)C[C@H]3Oc3c(OC)ccc(c34)C1)C2 ZINC000169716360 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1C1C(=O)C(=O)C(c2c[nH]c3c(CC=C(C)C)cccc23)C(=O)C1=O ZINC000169716550 KK Annotated Mild Cc1c(/C=C/CCCC(=O)NCCCNCCCNC(=O)CCC/C=C/c2c(C)c(O)c3cccc(O)c3c2O)c(O)c2c(O)cccc2c1O ZINC000169716695 KK Annotated Anodyne Cc1c(/N=C/CCNCCCCNCC/C=N/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716718 KK Annotated Mild Cc1c(/C=C/CCCC(=O)NCCCNCCCNC(=O)CCC/C=C/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716724 KK Annotated Anodyne Cc1c(/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716729 KK Annotated Anodyne Cc1c(/C=C/CCC(=O)NCCCNCCCNC(=O)CC/C=C/c2c(C)c(O)c3ccccc3c2O)c(O)c2ccccc2c1O ZINC000169716748 KK Annotated Anodyne Cc1c(/C=C/CCC(=O)NCCCN2CCN(CCCNC(=O)CC/C=C/c3c(C)c(O)c4cccc(O)c4c3O)CC2)c(O)c2c(O)cccc2c1O ZINC000169716753 KK Annotated Anodyne Cc1c(/C=C/CC(=O)NCCCCNCCCNC(=O)C/C=C/c2c(C)c(O)c3cccc(O)c3c2O)c(O)c2c(O)cccc2c1O ZINC000169716756 KK Annotated Anodyne Cc1c(/N=C/CCN2CCN(CC/C=N/c3c(C)c(O)c4ccccc4c3O)CC2)c(O)c2ccccc2c1O ZINC000169716764 KK Annotated Mild C=C(c1cccc(NS(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)cc3)cc2)c1)c1sc(=S)n(CC(=O)OCC)c1O ZINC000169716766 KK Annotated Anodyne C=C(c1cccc(OC(=O)N[C@@H](CC(C)C)C(=O)N(CCN(Cc2ccc(C(=O)OC)cc2)Cc2ccc(C(=O)OC)cc2)Cc2ccc(Cl)cc2)c1)c1sc(=S)n(CC(=O)OCC)c1O ZINC000169716767 KK Annotated Anodyne C[C@@](CCN1CCC(c2ccccc2)CC1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1 ZINC000169717127 KK Annotated Anodyne C[C@](CCN1CCC(c2ccccc2)CC1)(Cn1c(O)c(Cc2c[nH]c3ccccc23)[nH]c1=O)c1cccc(Cl)c1 ZINC000169717128 KK Annotated Anodyne C[n+]1cccc(-c2c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc(n3)c(-c3ccc[n+](C)c3)c3ccc([nH]3)c(-c3cc4ccccc4[n+](C)c3)c3ccc2[nH]3)c1 ZINC000169717157 KK Annotated Bother C[n+]1cccc(-c2c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc([nH]3)c(-c3cc4ccccc4[n+](C)c3)c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc2[nH]3)c1 ZINC000169717158 KK Annotated Bother N#CNC(Nc1ccc([N+](=O)[O-])cc1)=[N+]1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000169717279 KK Annotated Bother C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@@]1(C3)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000169717285 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@@]1(C3)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000169717286 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000169717287 KK Annotated Mild Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 ZINC000169717526 KK Annotated Anodyne Brc1ccc(C/N=C2/C=C3[C@@H](CC2)[C@@H]2Cc4ccc(NCc5ccc(Br)cc5)cc4[C@@H]3[C@@H]3CCCN23)cc1 ZINC000169717581 KK Annotated Mild C[C@@H]1[C@@H]2C3=C/C(=N\Cc4ccccc4)CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc32)N1CC1CC1 ZINC000169717585 KK Annotated Mild O=C1c2ccccc2C(=O)C12O[C@@H](c1ccccc1)c1c2c(O)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000169717935 KK Annotated Clean O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)c1c2c(O)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000169717936 KK Annotated Clean O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)c1c2c(O)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000169717957 KK Annotated Clean O=C1c2ccccc2C(=O)C12O[C@H](c1ccc(Cl)cc1)c1c2c(O)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1O ZINC000169717958 KK Annotated Clean COc1ccc(-n2nc3c4ccccc4n([C@@H]4O[C@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000169718092 KK Annotated Anodyne COc1ccc(-n2nc3c4ccccc4n([C@H]4O[C@H](COC(=O)c5ccccc5)[C@@H](OC(=O)c5ccccc5)[C@@H]4OC(=O)c4ccccc4)cc-3c2=O)cc1 ZINC000169718093 KK Annotated Anodyne O=N[C@@H]1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)/C=C\NC1=O ZINC000169718329 KK Annotated Anodyne O=N[C@@H]1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)/C=C/NC1=O ZINC000169718330 KK Annotated Anodyne O=N[C@H]1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)/C=C\NC1=O ZINC000169718331 KK Annotated Anodyne O=N[C@H]1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)/C=C/NC1=O ZINC000169718332 KK Annotated Anodyne Cc1c(Br)cc(C#N)c(O)c1Cn1cncc1COCc1ccc(C#N)cc1-c1ccc2c(c1)OCO2 ZINC000169718361 KK Annotated Mild C[N+](c1cc(Cl)cc(Cl)c1)=c1ccn(C[C@H]2C[C@H]2Cn2ccc(=[N+](C)c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000169718375 KK Annotated Anodyne C[N+](c1ccc(Cl)cc1)=c1ccn(C[C@H]2C[C@H]2Cn2ccc(=[N+](C)c3ccc(Cl)cc3)cc2)cc1 ZINC000169718376 KK Annotated Anodyne C=C(C[C@@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C=CCOC[C@]3([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12)c1ccccc1SC ZINC000169718671 KK Annotated Mild C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3C=CCOC[C@]3([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12)c1ccccc1SC ZINC000169718672 KK Annotated Mild C=C(C[C@@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C=CCOC[C@]3([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]12)c1ccccc1SC ZINC000169718673 KK Annotated Mild C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@@H]12)c1ccccc1SC ZINC000169718674 KK Annotated Mild COc1ccccc1CN(C)CCCN(C)CCCNCCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000169718678 KK Annotated Bother CCCCCCCCCCCCCCCC/C=C(\c1ccccc1)c1sc(=S)n(CC(=O)O)c1O ZINC000169718680 KK Annotated Mild O=C(O)CN1C[C@@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@H]6c8c(c-%14c(c4c85)[C@@H]2[C@H]%13%10)[C@@H]%15[C@@H]%18[C@@H]%206)[C@]73[C@@H]1C(=O)O ZINC000169718694 KK Annotated Bother CC(=O)C[C@H]1[C@@H](C(=O)O)[C@@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@H]6c8c(c-%14c(c4c85)[C@@H]2[C@H]%13%10)[C@@H]%15[C@@H]%18[C@@H]%206)[C@]73[C@@H]1C(=O)O ZINC000169718695 KK Annotated Bother CN(Cc1cccc(-c2ccc(Br)cc2)c1)[C@H]1Cc2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1 ZINC000169718700 KK Annotated Anodyne O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@@H](OCc1cccc(-c3ccc(Br)cc3)c1)C2 ZINC000169718701 KK Annotated Anodyne O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](OCc1cccc(-c3cccc(Br)c3)c1)C2 ZINC000169718702 KK Annotated Anodyne O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](Oc1ccc(-c3ccc(Br)cc3)cc1)C2 ZINC000169718703 KK Annotated Anodyne CCN(Cc1cccc(-c2ccc(C#N)cc2)c1)[C@H]1Cc2c(O)n(-c3cc(Cl)cc(Cl)c3)c(=O)n2C1 ZINC000169718706 KK Annotated Mild O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](OCc1cccc(-c3ccc(Br)cc3)c1)C2 ZINC000169718707 KK Annotated Anodyne O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@@H](OCc1cccc(-c3ccc(Cl)cc3)c1)C2 ZINC000169718708 KK Annotated Anodyne O=c1n2c(c(O)n1-c1cc(Cl)cc(Cl)c1)C[C@H](SCc1cccc(-c3ccc(Br)cc3)c1)C2 ZINC000169718709 KK Annotated Anodyne N#C[C@]1(c2ccc(Cc3c(O)n(-c4ccc(Cl)cc4)n(-c4ccc(Cl)cc4)c3=O)cc2)C=CC=CC1 ZINC000169718833 KK Annotated Mild Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@@H](Br)[C@@H](Br)C4)cc2)cc1C ZINC000169718852 KK Annotated Reactive Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@H](Br)[C@@H](Br)C4)cc2)cc1C ZINC000169718853 KK Annotated Reactive Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@@H](Br)[C@H](Br)C4)cc2)cc1C ZINC000169718854 KK Annotated Reactive Oc1c(-c2ccccc2)n(-c2cccc(I)c2)c(=S)n1-c1cccc(I)c1 ZINC000169719324 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 ZINC000169719362 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCN3CCC)cc1 ZINC000169719363 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 ZINC000169719364 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 ZINC000169719365 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCN3CCC)cc1 ZINC000169719366 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4nncn4CCC)cc2)CCCN3CCC)cc1 ZINC000169719367 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1 ZINC000169719368 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(\C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1 ZINC000169719369 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(C[C@@H](N=O)C(=O)NCCc2cnc(N)[nH]2)cc1Br ZINC000169719382 KK Annotated Mild CCCCCCCCCCCCCC(=O)NCCCOc1c(Br)cc(C[C@H](N=O)C(=O)NCCc2cnc(N)[nH]2)cc1Br ZINC000169719383 KK Annotated Mild OCC12[C@@H]3C4[C@@H](c5ccccc5)C5(CO)[C@@H](C([C@@H]1c1ccccc1)[C@H]5N(Cc1ccccc1)[C@H]42)N3Cc1ccccc1 ZINC000169719421 KK Annotated Anodyne OCC12[C@H](c3ccccc3)C3[C@H]4N(Cc5ccccc5)[C@@H]1C1[C@H]2N(Cc2ccccc2)[C@H]3C4(CO)[C@H]1c1ccccc1 ZINC000169719422 KK Annotated Anodyne CCn1cc/c(=N/CCCOc2cccc(OCCCNc3cc[n+](CC)c4ccccc34)c2OCCC/N=c2\ccn(CC)c3ccccc23)c2ccccc21 ZINC000169720003 KK Annotated Anodyne CC(C)=CCc1cccc2c(C3C(=O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@@H]67)cc45)C(=O)C3=O)c[nH]c12 ZINC000169720113 KK Annotated Clean CC(C)=CCc1cccc2c(C3C(=O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@H]6SC[C@@H]7NC(=O)N[C@H]76)cc45)C(=O)C3=O)c[nH]c12 ZINC000169720114 KK Annotated Clean CC(C)=CCc1cccc2c(C3C(=O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@H]7NC(=O)N[C@H]76)cc45)C(=O)C3=O)c[nH]c12 ZINC000169720115 KK Annotated Clean CC(C)=CCc1cccc2c(C3C(=O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@H]6SC[C@H]7NC(=O)N[C@H]76)cc45)C(=O)C3=O)c[nH]c12 ZINC000169720116 KK Annotated Clean O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)s1 ZINC000169720164 KK Annotated Reactive O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)s1 ZINC000169720165 KK Annotated Reactive CC(=O)Nc1cc(C)c(-c2nnc3sc([CH-]c4cccc([N+](=O)[O-])c4)c(-c4cc(F)c(Cl)cc4Cl)n[n+]2-3)s1 ZINC000169720168 KK Annotated Bother CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)s1 ZINC000169720169 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)s1 ZINC000169720170 KK Annotated Anodyne O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3sc([CH-]c4cccc([N+](=O)[O-])c4)c(-c4cc(F)c(Cl)cc4Cl)n[n+]2-3)s1 ZINC000169720173 KK Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3sc([CH-]c4cccc([N+](=O)[O-])c4)c(-c4cc(F)c(Cl)cc4Cl)n[n+]2-3)s1 ZINC000169720174 KK Annotated Bother Cc1cc(NC(=O)CCl)sc1-c1nnc2sc([CH-]c3cccc([N+](=O)[O-])c3)c(-c3cc(F)c(Cl)cc3Cl)n[n+]1-2 ZINC000169720175 KK Annotated Reactive C1=C[C@H]2C[C@]34CN5CCCC/C=C/C/C=C(\C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]3CC5)[C@@H]4N2CCCC1 ZINC000169720188 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C/C/C=C(/C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]3CC5)[C@@H]4N2CCCC1 ZINC000169720189 KK Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7CCC(=O)CCCN7[C@@H]54)C6)nccc23)s1 ZINC000169720190 KK Annotated Anodyne CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000169720191 KK Annotated Anodyne CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000169720192 KK Annotated Anodyne CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000169720193 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C\C/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169720194 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C/C4=C/C/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000169720195 KK Annotated Anodyne C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000169720196 KK Annotated Mild COc1ccccc1CN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(Cc2ccccc2OC)C(C)C)cc1O)C(C)C ZINC000169720276 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2ccncc2)cc1O)Cc1ccncc1 ZINC000169720282 KK Annotated Mild CCN(Cc1ccccc1OC)C(=O)CCCC/C=N/c1cc(O)c(NCCCCCC(=O)N(CC)Cc2ccccc2OC)cc1O ZINC000169720284 KK Annotated Mild CCN(C/C=N/c1cc(O)c(NCCN(CC)Cc2ccccc2OC)cc1O)Cc1ccccc1OC ZINC000169720286 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2cccnc2)cc1O)Cc1cccnc1 ZINC000169720287 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2ccccc2Cl)cc1O)Cc1ccccc1Cl ZINC000169720288 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2ccccn2)cc1O)Cc1ccccn1 ZINC000169720292 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2ccccc2C)cc1O)Cc1ccccc1C ZINC000169720296 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2cccs2)cc1O)Cc1cccs1 ZINC000169720298 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)Cc2ccco2)cc1O)Cc1ccco1 ZINC000169720299 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)CCc2ccccc2OC)cc1O)CCc1ccccc1OC ZINC000169720300 KK Annotated Mild COc1c(Br)cc(C[C@@H](N=O)C(=O)NCCCC(=O)N(C)CCCCN(C)CCCNC(=O)[C@@H](Cc2cc(Br)c(OC)c(Br)c2)N=O)cc1Br ZINC000169720356 KK Annotated Anodyne COc1c(Br)cc(C[C@H](N=O)C(=O)NCCCC(=O)N(C)CCCCN(C)CCCNC(=O)[C@@H](Cc2cc(Br)c(OC)c(Br)c2)N=O)cc1Br ZINC000169720357 KK Annotated Anodyne COc1ccccc1CNCCCNCCCNCCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000169720381 KK Annotated Bother COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc([C@@H](N=O)c4ccccc4)ccc32)cc1)C(=O)OC ZINC000169720386 KK Annotated Clean COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc([C@H](N=O)c4ccccc4)ccc32)cc1)C(=O)OC ZINC000169720387 KK Annotated Clean O=N[C@@H]1Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C[C@@H](N=O)C(=O)NC[C@@H](O)c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC1=O ZINC000169720441 KK Annotated Anodyne O=N[C@H]1Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C[C@@H](N=O)C(=O)NC[C@@H](O)c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC1=O ZINC000169720442 KK Annotated Anodyne O=N[C@H]1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)[C@H](O)CNC1=O ZINC000169720443 KK Annotated Anodyne O=N[C@H]1Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C[C@H](N=O)C(=O)NC[C@@H](O)c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC1=O ZINC000169720444 KK Annotated Anodyne Cc1ccc(CSc2nnc(N3C(=O)C(=O)[C@H](C(=O)c4cc5ccccc5o4)[C@@H]3c3ccccc3F)s2)cc1 ZINC000169720559 KK Annotated Anodyne Cc1ccc(CSc2nnc(N3C(=O)C(=O)[C@@H](C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3F)s2)cc1 ZINC000169720560 KK Annotated Anodyne CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1[nH]c2c3cccc(Cl)c3c(O)c3cccc1c32)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000169720726 KK Annotated Bother O=NCc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000169720729 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)[C@@H]1C(=O)O[C@H](COC(=O)N=C=NC(=O)OCC)C1=O ZINC000169720917 KK Annotated Unstable CCCCCCCCCCCCCCCC(=O)[C@H]1C(=O)O[C@H](COC(=O)N=C=NC(=O)OCC)C1=O ZINC000169720918 KK Annotated Unstable COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)N=C(C)[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1Cl ZINC000169721548 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)N=C(C)[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1Cl ZINC000169721549 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)N=C(C)[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1Cl ZINC000169721550 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-n3ccnc3)cc2)N=C(C)[C@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1Cl ZINC000169721551 KK Annotated Anodyne C[C@@H](N=O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@@H]3[C@@H]2N(Cc2cccc([C@@H](C)N=O)c2)C(=O)N3Cc2cccc([C@@H](C)N=O)c2)c1 ZINC000169721632 KK Annotated Anodyne C[C@H](N=O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@@H]3[C@@H]2N(Cc2cccc([C@@H](C)N=O)c2)C(=O)N3Cc2cccc([C@@H](C)N=O)c2)c1 ZINC000169721633 KK Annotated Anodyne C[C@@H](N=O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@H]3[C@@H]2N(Cc2cccc([C@@H](C)N=O)c2)C(=O)N3Cc2cccc([C@@H](C)N=O)c2)c1 ZINC000169721634 KK Annotated Anodyne C[C@H](N=O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@H]3[C@@H]2N(Cc2cccc([C@@H](C)N=O)c2)C(=O)N3Cc2cccc([C@@H](C)N=O)c2)c1 ZINC000169721635 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccc([N+](=O)[O-])cc4)C[C@@H](/C=C/CC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000169721642 KK Annotated Bother COc1ccc2nc3c(c(C)nn3[C@H]3CN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C[C@@H](/C=C/CC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000169721643 KK Annotated Bother COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccc([N+](=O)[O-])cc4)C[C@@H](/C=C\CC(C)=O)O3)c(Cl)c2c1 ZINC000169721644 KK Annotated Bother CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCCC(=O)Nc2ccccc2)(c2ccccc2)OC1=O ZINC000169721660 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCCC(=O)Nc2ccccc2)(c2ccccc2)OC1=O ZINC000169721661 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000169721670 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000169721671 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCC(=O)N(C)c2ccccc2)(c2ccccc2)OC1=O ZINC000169721674 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCC(=O)N(C)c2ccccc2)(c2ccccc2)OC1=O ZINC000169721675 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000169721682 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000169721683 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000169721694 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000169721695 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000169721702 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000169721703 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000169721704 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000169721705 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@@](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000169721709 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1C(=O)C[C@](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000169721710 KK Annotated Anodyne O=S(=O)(NNCC1=NN(c2ccc(F)cc2)[C@@H]2[C@@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 ZINC000169721763 KK Annotated Anodyne O=S(=O)(NNCC1=NN(c2ccc(F)cc2)[C@H]2[C@@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 ZINC000169721764 KK Annotated Anodyne O=S(=O)(NNCC1=NN(c2ccc(F)cc2)[C@H]2[C@@H](Cc3cccc4ccccc34)CCC[C@@H]12)c1ccccc1 ZINC000169721765 KK Annotated Anodyne O=S(=O)(NNCC1=NN(c2ccc(F)cc2)[C@@H]2[C@@H](Cc3cccc4ccccc34)CCC[C@@H]12)c1ccccc1 ZINC000169721766 KK Annotated Anodyne O=N[C@@H]1Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCNC1=O ZINC000169721843 KK Annotated Anodyne O=N[C@H]1Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C[C@@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCNC1=O ZINC000169721844 KK Annotated Anodyne O=N[C@H]1Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C[C@@H](N=O)C(=O)NCCc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC1=O ZINC000169721845 KK Annotated Anodyne O=N[C@H]1Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C[C@H](N=O)C(=O)NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CCNC1=O ZINC000169721846 KK Annotated Anodyne COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)OC(=N)[C@@H]2C#N)ccc1OCc1c(F)cccc1Cl ZINC000169721895 KK Annotated Mild COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)OC(=N)[C@@H]2C#N)ccc1OCc1c(F)cccc1Cl ZINC000169721896 KK Annotated Mild CC(C)(C#N)c1ccc(CC[C@@]2(C3CCCC3)CC(=O)[C@@H](Cc3cn4ccccc4n3)C(=O)O2)cc1F ZINC000169721918 KK Annotated Mild CC(C)(C#N)c1ccc(CC[C@]2(C3CCCC3)CC(=O)[C@@H](Cc3cn4ccccc4n3)C(=O)O2)cc1F ZINC000169721919 KK Annotated Mild CC1=C2O[C@@]34OC5(CCN(C)CC5)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000169721929 KK Annotated Mild CC1=C2O[C@@]34OC5(CCN(C)CC5)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000169721930 KK Annotated Mild CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc([C@@H](N=O)c4ccccc4)ccc32)cc1)C(=O)O ZINC000169721959 KK Annotated Clean CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc([C@H](N=O)c4ccccc4)ccc32)cc1)C(=O)O ZINC000169721960 KK Annotated Clean O=C(Nc1ccc(Br)cc1Br)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 ZINC000169721978 KK Annotated Anodyne CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)[C@H](C)c2ccccc2OC)cc1O)[C@@H](C)c1ccccc1OC ZINC000169722142 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)[C@@H](C)c2ccccc2OC)cc1O)[C@@H](C)c1ccccc1OC ZINC000169722143 KK Annotated Mild CCN(CCCCC/C=N/c1cc(O)c(NCCCCCCN(CC)[C@H](C)c2ccccc2OC)cc1O)[C@H](C)c1ccccc1OC ZINC000169722144 KK Annotated Mild CCN(CC/C=N\c1cc(O)c(NCCCNC(=O)CCCC[C@@H]2CCSS2)cc1O)Cc1ccccc1OC ZINC000169722286 KK Annotated Reactive CCN(CC/C=N\c1cc(O)c(NCCCNC(=O)CCCC[C@H]2CCSS2)cc1O)Cc1ccccc1OC ZINC000169722287 KK Annotated Reactive Oc1c(Br)cc(Br)cc1C/N=N/c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000169722293 KK Annotated Clean CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(S(=O)(=O)Nc3ccccc3)ccc2n1C ZINC000169722401 KK Annotated Anodyne CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(S(=O)(=O)Nc3ccccc3)ccc2n1C ZINC000169722402 KK Annotated Anodyne O=NCc1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000169722477 KK Annotated Anodyne O=NCc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000169722478 KK Annotated Anodyne CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723130 KK Annotated Clean CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723131 KK Annotated Clean CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@@H](c2ccc(O)cc2O)[C@@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723132 KK Annotated Clean CC1=NC(Nc2ccc([N+](=O)[O-])cc2Cl)=N[C@@H](c2ccc(O)cc2O)[C@H]1C(=O)Nc1ccc(C)cc1 ZINC000169723133 KK Annotated Clean O=C(Nc1ccc2c(O)c(/N=N/c3ccccc3)c(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)c(/N=N/c3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1 ZINC000169723341 KK Annotated Clean O=S(=O)(O)c1cc2nc3c4cccc(S(=O)(=O)O)c4/c(=N/c4ccccc4)cc-3n(-c3ccccc3)c2cc1Nc1ccccc1 ZINC000169723342 KK Annotated Bother Cc1cc(Br)c(Nc2nc(CN3CCOCC3)nc(/N=N\Cc3cc(I)cc(C)c3O)n2)cc1Cl ZINC000169723723 KK Annotated Clean Cc1ccc(Nc2nc(CN3CCOCC3)nc(/N=N\Cc3cc(Br)cc(Br)c3O)n2)cc1 ZINC000169723726 KK Annotated Clean Oc1c(I)cc(I)cc1C/N=N\c1nc(Nc2cccc3ccccc23)nc(N2CCOCC2)n1 ZINC000169723728 KK Annotated Clean Oc1c(I)cc(I)cc1C/N=N\c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000169723729 KK Annotated Clean Oc1c(Br)cc(C/N=N\c2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1Br ZINC000169723730 KK Annotated Clean Cc1ccc(C)c(Nc2nc(/N=N\Cc3cc(Br)cc(Br)c3O)nc(N3CCOCC3)n2)c1 ZINC000169723731 KK Annotated Clean Cc1ccc(Nc2nc(/N=N\Cc3cc(Br)cc(Br)c3O)nc(N3CCOCC3)n2)cc1Cl ZINC000169723732 KK Annotated Clean Cc1ccc(C)c(Nc2nc(/N=N\Cc3cc(Br)c(O)c(Br)c3C)nc(N3CCOCC3)n2)c1 ZINC000169723734 KK Annotated Clean O=C(O)c1cc(-c2ccc(C/N=N/c3nc(Nc4ccc(F)cc4)nc(N4CCCCC4)n3)o2)ccc1O ZINC000169723740 KK Annotated Clean O=C(O)c1cc(-c2ccc(C/N=N/c3nc(Nc4ccccc4)nc(N4CCCCC4)n3)o2)ccc1Cl ZINC000169723741 KK Annotated Clean CCSc1scc(CC)c1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@@H]21 ZINC000169723749 KK Annotated Anodyne CCSc1scc(CC)c1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@@H]21 ZINC000169723750 KK Annotated Anodyne CCSc1scc(CC)c1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@H]21 ZINC000169723751 KK Annotated Anodyne CCSc1scc(CC)c1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)N=C2CC(C)(C)CC(=O)[C@H]21 ZINC000169723752 KK Annotated Anodyne C=c1c(-c2c(O)c3cc(O)c(O)/c(=C\CC4CCCCC4)c3c(O)c2=C)c(O)c2cc(O)c(O)/c(=C\CC3CCCCC3)c2c1O ZINC000169724233 KK Annotated Clean C=c1c(-c2c(O)c3cc(O)c(O)/c(=C\c4ccc(Cl)cc4)c3c(O)c2=C)c(O)c2cc(O)c(O)/c(=C\c3ccc(Cl)cc3)c2c1O ZINC000169724236 KK Annotated Clean O=C(COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1)OCc1ccc(OCc2c(-c3ccccc3)no[n+]2[O-])cc1 ZINC000169724445 KK Annotated Anodyne O=C(COc1cc2oc(-c3ccccc3)cc(O)c-2c(=O)c1)OCc1cccc(OCc2c(-c3ccccc3)no[n+]2[O-])c1 ZINC000169724446 KK Annotated Anodyne CC(=O)N1c2cccc(O)c2N=C2CC(C)(C)CC(=O)[C@@H]2[C@@H]1c1ccc(OCc2ccccc2)cc1Cl ZINC000169724451 KK Annotated Anodyne CC(=O)N1c2cccc(O)c2N=C2CC(C)(C)CC(=O)[C@H]2[C@@H]1c1ccc(OCc2ccccc2)cc1Cl ZINC000169724452 KK Annotated Anodyne CC(=O)N1c2cccc(O)c2N=C2CC(C)(C)CC(=O)[C@@H]2[C@H]1c1ccc(OCc2ccccc2)cc1Cl ZINC000169724453 KK Annotated Anodyne CC(=O)N1c2cccc(O)c2N=C2CC(C)(C)CC(=O)[C@H]2[C@H]1c1ccc(OCc2ccccc2)cc1Cl ZINC000169724454 KK Annotated Anodyne COc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(-c4cc(F)c(Cl)nc4Cl)nc23)cc1OC ZINC000169724622 KK Annotated Anodyne C/C=C1/C[C@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@@H]1N3)c1[nH]c3ccccc3c1C[C@@H](NC)[C@H]2C(=O)OC ZINC000169724698 KK Annotated Anodyne C/C=C1/C[C@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@@H]1N3)c1[nH]c3ccccc3c1C[C@@H](NC)[C@H]2C(=O)OC ZINC000169724699 KK Annotated Anodyne CNC(=O)[C@@H](CCCCC[C@@H](C(=O)Nc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C)N=O ZINC000169724755 KK Annotated Anodyne CNC(=O)[C@H](CCCCC[C@@H](C(=O)Nc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)OC(C)(C)C)N=O ZINC000169724756 KK Annotated Anodyne COc1cc(CNCCCCC/C=N/c2cc(O)c(NCCCCCCNCc3ccc(O)c(OC)c3)cc2O)ccc1O ZINC000169724793 KK Annotated Mild Oc1cc(NCCCNCc2cc3ccccc3o2)c(O)cc1/N=C/CCNCc1cc2ccccc2o1 ZINC000169724794 KK Annotated Mild Oc1cc(NCCCCCCNCc2cc3ccccc3o2)c(O)cc1/N=C/CCCCCNCc1cc2ccccc2o1 ZINC000169724795 KK Annotated Mild Oc1cc(NCCCCCCNCc2ccc(-c3nc4ccccc4s3)cc2)c(O)cc1/N=C/CCCCCNCc1ccc(-c2nc3ccccc3s2)cc1 ZINC000169724799 KK Annotated Mild COc1cc(-n2c(O)c3c(c2O)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000169724805 KK Annotated Anodyne COc1cc(-n2c(O)c3c(c2O)[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000169724806 KK Annotated Anodyne COc1cc(-n2c(O)c3c(c2O)[C@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)cc(OC)c1OC ZINC000169724807 KK Annotated Anodyne Oc1c2c(c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000169724808 KK Annotated Anodyne Oc1c2c(c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000169724809 KK Annotated Anodyne Oc1c2c(c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000169724810 KK Annotated Anodyne c1cc(Cn2ccc(=NC3CCCCC3)cc2)ccc1CCCCc1ccc(Cn2ccc(=NC3CCCCC3)cc2)cc1 ZINC000169724813 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2ccc(/C=N\n3cnnc3/N=N/[CH-]c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)o2)ccc1Cl ZINC000169724825 KK Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000169725808 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000169725810 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000169725812 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000169725813 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725823 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725824 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725826 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725827 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725830 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725832 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725834 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725835 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725837 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725838 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725840 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000169725841 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169725858 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169725859 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169725860 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000169725861 KK Annotated Bother CN(C)c1nc(/N=N/Cc2cc(Br)c(O)c(Br)c2O)nc(Nc2ccc(F)cc2)n1 ZINC000169726148 KK Annotated Clean CCCn1cc([C@@H](O)c2nc(O)c(CCCCCC(=O)CC)[nH]c(O)c3n(c(O)c([C@@H](C)CC)[nH]c2=O)CCCC3)c2ccccc21 ZINC000169726464 KK Annotated Anodyne CCC(=O)CCCCCc1[nH]c(O)c2n(c(O)c([C@@H](C)CC)[nH]c(=O)c([C@@H](O)c3ccc4c(ccn4C)c3)nc1O)CCCC2 ZINC000169726466 KK Annotated Anodyne CCC(=O)CCCCCc1[nH]c(O)c2n(c(O)c([C@@H](C)CC)[nH]c(=O)c([C@@H](O)c3c[nH]c4ccccc34)nc1O)CCCC2 ZINC000169726469 KK Annotated Anodyne CCC(=O)CCCCCc1[nH]c(O)c2n(c(O)c([C@@H](C)CC)[nH]c(=O)c(C[C@@H](O)c3ccccc3[N+](=O)[O-])nc1O)CCCC2 ZINC000169726473 KK Annotated Bother CC1=NC(=O)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H](c2cccc(Cl)c2)[C@@H]1C(=O)OC(C)C ZINC000169727353 KK Annotated Anodyne CC1=NC(=O)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)[C@H](c2cccc(Cl)c2)[C@@H]1C(=O)OC(C)C ZINC000169727354 KK Annotated Anodyne CC1=NC(=O)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)[C@@H](c2cccc(Cl)c2)[C@H]1C(=O)OC(C)C ZINC000169727355 KK Annotated Anodyne CC1=NC(=O)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)[C@H](c2cccc(Cl)c2)[C@H]1C(=O)OC(C)C ZINC000169727356 KK Annotated Anodyne CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7[C@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@H]7C(=O)OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000169727639 KK Annotated Anodyne O=C([C@@H]1[C@H](C(=O)N2CCCCC2)C=C[C@H](c2ccc3c(c2)OCO3)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000169727671 KK Annotated Anodyne O=C([C@H]1C=C[C@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000169727672 KK Annotated Anodyne C[C@]12C[C@H](c3ccc(OCCOCCOCCn4cc(/C=N\c5cc(O)c6ccccc6c5O)nn4)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000169727822 KK Annotated Mild CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2nc3ccccc3s2)[C@@H]1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000169727876 KK Annotated Anodyne CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2nc3ccccc3s2)[C@H]1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000169727877 KK Annotated Anodyne CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2cc3ccccc3n2C)[C@@H]1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000169727878 KK Annotated Anodyne CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2cc3ccccc3n2C)[C@H]1C(=O)N1CCC[C@H]1c1cc(C)no1 ZINC000169727879 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCCCc1cc(C)nc(CN=O)c1O)CC2 ZINC000169728425 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCCCc1cc(C)nc(CN=O)c1O)CC2 ZINC000169728426 KK Annotated Anodyne CCN(CC)c1ccc2c(C)c(-c3ccc([C@@H]4C5=C(C[C@@H](c6ccccc6)CC5=O)OC(=N)[C@@H]4C#N)cc3)c(=O)oc2c1 ZINC000169728468 KK Annotated Mild CCN(CC)c1ccc2c(C)c(-c3ccc([C@H]4C5=C(C[C@@H](c6ccccc6)CC5=O)OC(=N)[C@@H]4C#N)cc3)c(=O)oc2c1 ZINC000169728469 KK Annotated Mild COc1ccc2c(C)c(-c3ccc([C@@H]4C5=C(C[C@@H](c6ccccc6)CC5=O)OC(=N)[C@@H]4C#N)cc3)c(=O)oc2c1 ZINC000169728470 KK Annotated Mild COc1ccc2c(C)c(-c3ccc([C@H]4C5=C(C[C@@H](c6ccccc6)CC5=O)OC(=N)[C@@H]4C#N)cc3)c(=O)oc2c1 ZINC000169728471 KK Annotated Mild CCN(CC)c1ccc2c([C@@H]3C4=C(C[C@@H](c5cccc6ccccc56)CC4=O)OC(=N)[C@@H]3C#N)cc(=O)oc2c1 ZINC000169728472 KK Annotated Mild CCN(CC)c1ccc2c([C@H]3C4=C(C[C@@H](c5cccc6ccccc56)CC4=O)OC(=N)[C@@H]3C#N)cc(=O)oc2c1 ZINC000169728473 KK Annotated Mild O=C(OCC1=CCCN(CCCc2ccccc2)C1)c1ccccc1-n1c(O)cc(Cc2ccccc2)c1O ZINC000169729212 KK Annotated Anodyne Cc1cc(O)n(-c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)CN(CCCc3ccccc3)C2)c1O ZINC000169729234 KK Annotated Anodyne Cc1cc(O)n(-c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)CN(CCCc3ccccc3)C2)c1O ZINC000169729235 KK Annotated Anodyne O=N[C@@H](Cc1cc(Br)c(O)c(-c2cc(C[C@@H](N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)c1)C(=O)NCCc1ccc(O)c(Br)c1 ZINC000169729575 KK Annotated Anodyne O=N[C@H](Cc1cc(Br)c(O)c(-c2cc(C[C@@H](N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)c1)C(=O)NCCc1ccc(O)c(Br)c1 ZINC000169729576 KK Annotated Anodyne O=N[C@@H](Cc1cc(Br)c(O)c(-c2cc(C[C@H](N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)c1)C(=O)NCCc1ccc(O)c(Br)c1 ZINC000169729577 KK Annotated Anodyne CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ncnn1C1CCC(C(F)(F)F)CC1 ZINC000169729609 KK Annotated Anodyne CCOc1cccc(-n2ncnc2[C@@H]2C(C)=Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000169729613 KK Annotated Anodyne COc1cccc(-n2ncnc2[C@@H]2C(C)=Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000169729614 KK Annotated Anodyne CCCCCCCCCCCCCCCC/C=C/[S@@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O ZINC000169729669 KK Annotated Mild CCCCCCCCCCCCCCCC/C=C/[S@](=O)c1cc(O)c2c(OC)ccc(OC)c2c1O ZINC000169729670 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169729720 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169729721 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169729722 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@H]2O[C@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000169729723 KK Annotated Mild Cc1ccccc1[C@@H]1[C@@H](O[C@H](CO)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H]2CN(c3nc(O)co3)C[C@H]21 ZINC000169730181 KK Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CN(CCN3CCOCC3)C[C@@H]2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000169730290 KK Annotated Anodyne S=C1N=C2/C(=C/c3ccc(Cl)cc3Cl)CN(CCN3CCOCC3)C[C@H]2[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000169730291 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(COC(=O)CC(C)C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C ZINC000169732797 KK Annotated Anodyne CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@@H](C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@@H](C)O5)[C@@H](C)CC[C@H]42)C/C=C/C/C=C/[C@@]3(C)C=C1C(=O)O ZINC000169735102 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C\3C)O4 ZINC000169735427 KK Annotated Anodyne investigational C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCC[C@@H](C(=O)O)N1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]42C)C1=O)C3=O ZINC000169738004 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN([C@@H](CCCCN1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]42C)C1=O)C(=O)O)C3=O ZINC000169738006 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCCC[C@@H](C(=O)O)N1Cc2c(cc(O)c4c2O[C@]2(C4)[C@H](C)CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]42C)C1=O)C3=O ZINC000169738012 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CC8)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000169742992 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCC(C)(N(C)C)CC7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169742993 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7C[C@@H]8CC[C@H](C7)N8C)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169742996 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CC(N(C)C)C7)cc(O)c6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000169742999 KK Annotated Anodyne CCOC(=O)C1=CC2=C3N4C(=CC5=NC(=Cc6c(CC)c(C)c(n6[Sn]4(Cl)Cl)C=C4N=C2C(C)=C4CC)C(C)=C5CC)[C@H](C)[C@@]13CC ZINC000169746603 KK Annotated Anodyne world CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=C(Oc3cccc(O[Si](C)(C)C(C)(C)C)c3N2)/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169748479 KK Annotated Reactive investigational CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=C(Oc3cccc(O[Si](C)(C)C(C)(C)C)c3N2)/C(=N\C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000169748480 KK Annotated Reactive investigational CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@@H]2CCCNC2)C1 ZINC000169851862 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@@H]4CCCNC4)[C@@H]3CC[C@@H]2C1 ZINC000169851865 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)[C@@H]2CCCNC2)C1 ZINC000169851867 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@](C)(O)[C@@H]4CCCNC4)[C@@H]3CC[C@@H]2C1 ZINC000169851869 KK Annotated Reactive COC(=O)c1cc(C(=CCCCC(=O)OCC[Si](C)(C)C)c2cc(C)c(OC)c(C(=O)OC)c2)cc(C)c1OC ZINC000169855141 KK Annotated Anodyne Cc1c2c(c(CNC(=O)CN(C)C)c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(Cc1ccccc1)C2=O ZINC000169857920 KK Annotated Anodyne Cc1c2c(c(CNC(=O)CCN(C)C)c3c4ccccc4n(COCC[Si](C)(C)C)c13)C(=O)N(Cc1ccccc1)C2=O ZINC000169857926 KK Annotated Anodyne CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C ZINC000169870089 KK Annotated Reactive CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C ZINC000169870092 KK Annotated Reactive CCCN1C(=O)c2ccccc2[C@@]1(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OCOCC[Si](C)(C)C)cc1 ZINC000169874097 KK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OCOCC[Si](C)(C)C)cc1 ZINC000169874099 KK Annotated Anodyne C[C@@H](Nc1nc(Nc2ccc([S@@](=O)(=NS(=O)(=O)CC[Si](C)(C)C)C3CCCC3)cc2)ncc1Br)C(C)(C)O ZINC000169918283 KK Annotated Anodyne C[C@@H](Nc1nc(Nc2ccc([S@](=O)(=NS(=O)(=O)CC[Si](C)(C)C)C3CCCC3)cc2)ncc1Br)C(C)(C)O ZINC000169918286 KK Annotated Anodyne CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C[C@@H](O)CO[Si](C)(C)C(C)(C)C)CC2)cc1 ZINC000169941051 KK Annotated Reactive CC(=O)N[C@H]1CC[C@@H]2[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](N/C(=N/C(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[C@H]12 ZINC000169952524 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC[C@H]1N ZINC000169954903 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC[C@H]1N ZINC000169954906 KK Annotated Reactive C[Si](C)(C)CCOCn1ccnc1C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000169979113 KK Annotated Anodyne C[Si](C)(C)CCOCn1ccnc1C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000169979116 KK Annotated Anodyne Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000017176145 KK Annotated Mild COC(=O)C1=C[C@H](NC(=O)OCc2ccccc2)[C@H](C(=O)c2ccccc2)C[C@@H]1Sc1ccccc1 ZINC000017176331 KK Annotated Anodyne Cc1nc2ccccc2c(=O)n1/N=C(\N=N\c1cc(Cl)ccc1Cl)c1cccc(-c2ccco2)c1 ZINC000017188694 KK Annotated Mild CC(C)CC/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000017191703 KK Annotated Bother O/N=C1C(=C/c2ccc(Oc3ccccc3)cc2)/CCC[C@H]/1[C@H](NO)c1ccc(Oc2ccccc2)cc1 ZINC000017195882 KK Annotated Mild Nc1ccccc1S[C@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 ZINC000017210712 KK Annotated Anodyne Cc1ccccc1S[C@@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 ZINC000017210721 KK Annotated Anodyne Cc1ccccc1S[C@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 ZINC000017210727 KK Annotated Anodyne Clc1ccc(S[C@H](/C=C/NNC2=N[C@@H](c3ccccc3)C(c3ccccc3)=NN2)c2ccccc2)cc1 ZINC000017210740 KK Annotated Anodyne O=c1cc(/C=C/c2ccccc2)c2ccc(O/C(=C\c3ccccc3)c3nc4ccccc4c(=O)o3)cc2o1 ZINC000017212218 KK Annotated Anodyne Cc1cc(C)c(-n2c(-c3ccccc3)cs/c2=N\N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)c1 ZINC000017216309 KK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc([N+](=O)[O-])cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000017221555 KK Annotated Bother c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=N[C@]34CCCC[C@@H]24)Nc2ccccc2N=5)cc1 ZINC000017224155 KK Annotated Anodyne c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=N[C@]34CCCC[C@@H]24)Nc2ccccc2N=5)cc1 ZINC000017224157 KK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@]1(CCCOCc2ccccc2)C(=O)N2CCC3(C[C@@]24CCC[C@@H]14)OCCO3 ZINC000017224353 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2C[C@@H](c1ccccc1)c1ccc(O)c(O)c1O ZINC000017248516 KK Annotated Mild COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O ZINC000017253532 KK Annotated Bother Cc1[nH]c(=O)nc(N/N=C/c2c3ccccc3c(Cl)c3ccccc23)c1C(=O)Nc1ccc(Cl)cc1 ZINC000017256200 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(\C)CC[C@H](OC(C)=O)[C@H](C)CC[C@H]12 ZINC000017256576 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](OC(C)=O)[C@H](C)CC[C@H]12 ZINC000017256579 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@@]2(C)C/C=C(\C)CC/C=C(/C)CC[C@H](OC(C)=O)[C@H](C)CC[C@H]12 ZINC000017256582 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@@]2(C)C/C=C(/C)CC/C=C(/C)CC[C@H](OC(C)=O)[C@H](C)CC[C@H]12 ZINC000017256585 KK Annotated Mild O=C1CS[C@@H](/C=C/c2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000017257901 KK Annotated Anodyne O=C1CS[C@H](/C=C/c2ccccc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000017257903 KK Annotated Anodyne CCCCCC[C@H](CCl)c1sc(-c2csc(CCNC(=O)OC(C)(C)C)n2)nc1C(=O)OC ZINC000017257975 KK Annotated Reactive CCOP(=O)(CCC[C@@H](O)CNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1)OCC ZINC000017258669 KK Annotated Clean CCOP(=O)(CCC[C@H](O)CNc1nc(N)nc(Cl)c1/N=N/c1ccc(Cl)cc1)OCC ZINC000017258672 KK Annotated Clean CCOP(=O)(OCC)[C@@H](c1ccc(F)cc1)N(C(=O)NC(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000017259223 KK Annotated Mild Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@@H]5C=C[C@H]([C@@H]4[C@@H]3C2=O)[C@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]52)c(C)c1 ZINC000017297164 KK Annotated Anodyne CCOC(=O)c1ccc(/N=C2/C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2/N=C/c2ccccc2)cc1 ZINC000017297294 KK Annotated Mild CC(C)(C)[C@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000017297339 KK Annotated Anodyne CC(C)(C)[C@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000017297345 KK Annotated Anodyne CN1C[C@H](c2ccccc2)C(O)([C@@]2(c3ccccc3)CN(C)C[C@@H](c3ccccc3)C2=O)[C@H](c2ccccc2)C1 ZINC000017300890 KK Annotated Anodyne CN1C[C@H](c2ccccc2)C(O)([C@@]2(c3ccccc3)CN(C)C[C@@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000017300892 KK Annotated Anodyne CN1C[C@H](c2ccccc2)C(O)([C@]2(c3ccccc3)CN(C)C[C@@H](c3ccccc3)C2=O)[C@@H](c2ccccc2)C1 ZINC000017300894 KK Annotated Anodyne CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2cc3ccccc3[nH]2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017306959 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2cc3ccccc3[nH]2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017306963 KK Annotated Anodyne CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017306965 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017306969 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](COC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017306987 KK Annotated Anodyne CN(C)[C@@H](COC(C)(C)C)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000017306995 KK Annotated Anodyne CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307012 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307016 KK Annotated Anodyne CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2cc3ccccc3[nH]2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307043 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1cn([C@@H](Cc2cc3ccccc3[nH]2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000017307045 KK Annotated Anodyne CCCCCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307222 KK Annotated Anodyne CCCCCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@@H](C(N)=O)N(C(=O)CC(c2ccccc2)c2ccccc2)C3)c1 ZINC000017307223 KK Annotated Anodyne NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000017307307 KK Annotated Anodyne NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000017307310 KK Annotated Anodyne NC(=O)[C@@H]1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)c1ccc(Cl)cc1 ZINC000017307322 KK Annotated Anodyne NC(=O)[C@@H]1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)c1ccc(Cl)cc1 ZINC000017307326 KK Annotated Anodyne CCCCCC(=O)N1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000017307407 KK Annotated Anodyne CCCCCC(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)C[C@@H]1C(N)=O ZINC000017307412 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@@H]5C=C[C@H]([C@@H]4[C@@H]3C2=O)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]52)cc1 ZINC000017307471 KK Annotated Anodyne C[C@@H](Oc1ccccc1)c1nnn(Cc2ccccc2)c1-c1c([C@@H](C)Oc2ccccc2)nnn1Cc1ccccc1 ZINC000017307483 KK Annotated Anodyne Cc1ccc(Cn2c(O)c(/N=N\C(S)=N\c3ccccc3F)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 ZINC000017356960 KK Annotated Mild COc1ccccc1NC(=O)C1=C(C)N=C2C[C@@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@@H]1c1coc2ccccc2c1=O ZINC000017372348 KK Annotated Anodyne CCOc1ccc(CCN2C(=O)C(=O)N([C@H](CCCN(C)Cc3ccccc3)CNCc3ccccc3)C[C@@H]2C(C)C)cc1 ZINC000017376890 KK Annotated Anodyne CC[C@@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017376894 KK Annotated Anodyne CC[C@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017376897 KK Annotated Anodyne CC[C@@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccc(O)cc2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000017376907 KK Annotated Anodyne CC[C@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccc(O)cc2)N1CCc1cccc(C)c1)c1ccccc1 ZINC000017376910 KK Annotated Anodyne CC[C@@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccc(O)cc2)N1CCc1ccc(C)cc1)c1ccccc1 ZINC000017376940 KK Annotated Anodyne CC[C@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccc(O)cc2)N1CCc1ccc(C)cc1)c1ccccc1 ZINC000017376943 KK Annotated Anodyne CCCCCCNC(=O)N[C@@H](C(=O)NCCC[C@H]1CN2C(=NC[C@@H]2Cc2ccccc2)N1CCc1cccc(OC)c1)C(C)C ZINC000017376962 KK Annotated Anodyne COc1ccc(C[C@H]2CN3C(=NC[C@@H]3Cc3ccccc3)N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 ZINC000017376965 KK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000017414046 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000017414050 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000017414053 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000017414056 KK Annotated Reactive O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)N(c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000017418824 KK Annotated Anodyne O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000017418830 KK Annotated Anodyne O=C(c1ccccc1)[C@H]1[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 ZINC000017418833 KK Annotated Anodyne CCOC(=O)Nc1cc(N[C@@H](C)CCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000017421864 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3 ZINC000017434104 KK Annotated Anodyne C[C@@H]1C(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c2O)O[C@@H]1C ZINC000017465979 KK Annotated Anodyne C[C@H]1Oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C ZINC000017465983 KK Annotated Anodyne in-vitro biogenic CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2nccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041407 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2nccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041412 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2nccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041416 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2nccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041420 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)NC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041425 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)NC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041428 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)NC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041434 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)NC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041436 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041440 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041444 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041448 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041452 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041456 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041459 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041463 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041464 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041471 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041475 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041479 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041482 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041487 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041490 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041495 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041499 KK Annotated Mild CCOc1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@@H]3[C@@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041503 KK Annotated Mild CCOc1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@H]3[C@@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041508 KK Annotated Mild CCOc1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@@H]3[C@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041511 KK Annotated Mild CCOc1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@H]3[C@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041515 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Cl)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041519 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Cl)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041522 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Cl)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041526 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Cl)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041530 KK Annotated Mild CCOC(=O)c1cccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@@H]4[C@@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000170041536 KK Annotated Mild CCOC(=O)c1cccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@H]4[C@@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000170041540 KK Annotated Mild CCOC(=O)c1cccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@@H]4[C@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000170041545 KK Annotated Mild CCOC(=O)c1cccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@H]4[C@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)c1 ZINC000170041547 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041553 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041555 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041558 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041562 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041568 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041572 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041576 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041580 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041585 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041589 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041593 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041597 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)N(C)C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041601 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)N(C)C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041606 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)N(C)C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041610 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)N(C)C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041614 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041618 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041622 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041627 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041629 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NCc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041635 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NCc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041637 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NCc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041642 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)NCc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041646 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041651 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041655 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041660 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041665 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(N)=O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041669 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(N)=O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041673 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(N)=O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041677 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(N)=O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041681 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(C(=O)OC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041686 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(C(=O)OC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041692 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(C(=O)OC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041696 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(C(=O)OC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041699 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)c2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041703 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)c2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041708 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)c2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041712 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)c2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041716 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041721 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041724 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041727 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041731 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041737 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041740 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041744 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc3ccccc23)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041748 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(SC)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041751 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(SC)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041755 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(SC)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041759 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(SC)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041763 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041767 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041771 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041775 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041779 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041783 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041787 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041790 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2ccccc2C(=O)OC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041794 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041798 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041803 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041806 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2[N+](=O)[O-])c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041809 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(F)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041815 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(F)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041819 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(F)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041821 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(F)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041827 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Cc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041832 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Cc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041836 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Cc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041838 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Cc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041843 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041864 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041868 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041873 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Oc2ccccc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041877 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(F)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041882 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(F)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041886 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(F)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041891 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2cccc(F)c2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041894 KK Annotated Mild CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@@H]3[C@@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041900 KK Annotated Mild CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@H]3[C@@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041905 KK Annotated Mild CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@@H]3[C@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041907 KK Annotated Mild CCOC(=O)c1ccccc1NC(=O)N[C@]1(C)C[C@@H](C(=O)N[C@@H](CC)B2O[C@H]3[C@H]4C[C@@H](C[C@]3(C)O2)C4(C)C)n2c1ncc(NCc1cccc(C(F)(F)F)c1)c2=O ZINC000170041911 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041933 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041937 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041940 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2C(=O)O)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041944 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2SC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041948 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2SC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041952 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2SC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041956 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2SC)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041960 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@@H]4[C@@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000170041964 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@H]4[C@@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000170041968 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@@H]4[C@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000170041973 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)N[C@]2(C)C[C@@H](C(=O)N[C@@H](CC)B3O[C@H]4[C@H]5C[C@@H](C[C@]4(C)O3)C5(C)C)n3c2ncc(NCc2cccc(C(F)(F)F)c2)c3=O)cc1 ZINC000170041977 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041981 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041985 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041989 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Oc3ccccc3)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041993 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Cl)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170041998 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Cl)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170042002 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Cl)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170042006 KK Annotated Mild CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccc(Cl)cc2)c2ncc(NCc3cccc(C(F)(F)F)c3)c(=O)n21)B1O[C@H]2[C@H]3C[C@@H](C[C@]2(C)O1)C3(C)C ZINC000170042011 KK Annotated Mild CC(C)(C)[Si](C)(C)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000170052520 KK Annotated Reactive Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O ZINC000170056886 KK Annotated Reactive Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O ZINC000170056889 KK Annotated Reactive Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O ZINC000170056893 KK Annotated Reactive Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O ZINC000170056895 KK Annotated Reactive Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1ccc2c(c1)c([C@@](O)(C(=O)O)C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095552 KK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1CCOc1ccc2c(c1)c([C@](O)(C(=O)O)C(F)(F)F)cn2COCC[Si](C)(C)C ZINC000170095555 KK Annotated Anodyne COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)[C@@H](O)[C@H](CC(=O)O)N2C(=O)OCC[Si](C)(C)C ZINC000170105012 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3CN(S(=O)(=O)c4ccc(NC(C)=O)cc4)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(Cl)c2c1 ZINC000170114636 KK Annotated Reactive COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccccc4[N+](=O)[O-])C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(Cl)c2c1 ZINC000170114649 KK Annotated Reactive COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000170121656 KK Annotated Reactive COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 ZINC000170121660 KK Annotated Reactive COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 ZINC000170121663 KK Annotated Reactive COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000170128806 KK Annotated Reactive COCO[C@@H]([C@H](CNC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000170128808 KK Annotated Reactive CCOC(=O)/C=C1\[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000170137234 KK Annotated Reactive CCOC(=O)/C=C1\[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000170137237 KK Annotated Reactive CC[C@@]1(c2ccc(CSc3ccc(C#C[Si](C)(C)C)cc3)cc2)Sc2ccccc2-n2cccc2C1=O ZINC000170140238 KK Annotated Mild CC[C@]1(c2ccc(CSc3ccc(C#C[Si](C)(C)C)cc3)cc2)Sc2ccccc2-n2cccc2C1=O ZINC000170140240 KK Annotated Mild CC[C@@]1(c2ccc(CSc3ccc(C#C[Si](C)(C)C)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000170140252 KK Annotated Mild CC[C@]1(c2ccc(CSc3ccc(C#C[Si](C)(C)C)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000170140254 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000170141638 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000170141654 KK Annotated Reactive CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@]2(C)C[C@@H](O)C[C@@]1(C)CO ZINC000170150764 KK Annotated Reactive COc1ccc(C2=[N+]3C(=Cc4c(C)c(CCC(=O)NCCCCCC(=O)NCCCn5nc(C(=O)NC6C[C@@H]7CCC[C@@H](C6)N7C)c6ccccc65)c(C)n4[B-]3(F)F)C=C2)cc1 ZINC000170151486 KK Annotated Anodyne CC1=CC(C)=[N+]2C1=C(CCCOC(=O)CCCn1nc(C(=O)NC3C[C@@H]4CCC[C@@H](C3)N4C)c3ccccc31)c1c(C)cc(C)n1[B-]2(F)F ZINC000170151493 KK Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H]([Si](C)(C)C)CCN(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000170160221 KK Annotated Anodyne COc1ccc(CN(CCN(C)CCCCCCNC(=O)CCC2=C3C(C)=C[C@@H](C)N3[B-](F)(F)n3c(C)cc(C)c32)c2ccccn2)cc1 ZINC000170171424 KK Annotated Anodyne C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 ZINC000170181576 KK Annotated Mild C=CCc1ccccc1OC[C@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 ZINC000170181579 KK Annotated Mild CCCC[P@@](=O)(O)C1=C[C@@H](NC(=O)CCCCCNC(=O)CCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)CC1 ZINC000170183417 KK Annotated Anodyne C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)Nc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)C1 ZINC000170185499 KK Annotated Reactive C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000170186823 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1 ZINC000170187828 KK Annotated Reactive COc1ccccc1NC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@@H]1c1coc2ccccc2c1=O ZINC000017522703 KK Annotated Anodyne COc1ccccc1NC(=O)C1=C(C)N=C2C[C@H](c3ccc(OC)c(OC)c3)CC(O)=C2[C@H]1c1coc2ccccc2c1=O ZINC000017522709 KK Annotated Anodyne O=C(C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527401 KK Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017527407 KK Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527411 KK Annotated Anodyne O=C(C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000017527423 KK Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000017527428 KK Annotated Anodyne O=C(/N=N/c1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000017527631 KK Annotated Clean O=C(C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544737 KK Annotated Anodyne O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000017544779 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000017544853 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000017544864 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccc(Br)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000017544867 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000017544878 KK Annotated Anodyne O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000017544881 KK Annotated Anodyne CN(C[C@@H](Cc1cccc2ccccc12)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O ZINC000017545385 KK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@H](Cc1cccc2ccccc12)N(CCc1ccccc1)N=O)N=O)N=O ZINC000017545388 KK Annotated Anodyne CN(C[C@H](Cc1ccccc1)N(C[C@@H](Cc1cccc2ccccc12)N(CCc1ccccc1)N=O)N=O)N=O ZINC000017545391 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc4ccccc4c3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017545418 KK Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545596 KK Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545599 KK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@@]32CC(c3ccc(Cl)cc3)=NO2)s1 ZINC000017545602 KK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(F)cc2C(=O)[C@]32CC(c3ccc(Cl)cc3)=NO2)s1 ZINC000017545605 KK Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545614 KK Annotated Anodyne O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545617 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545620 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000017545623 KK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@@]32CC(c3ccc(Cl)cc3)=NO2)s1 ZINC000017545638 KK Annotated Anodyne Cc1ccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2C(=O)[C@]32CC(c3ccc(Cl)cc3)=NO2)s1 ZINC000017545641 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)c1 ZINC000017545647 KK Annotated Anodyne c1ccc(-c2ccc(CN3C[C@@H]4[C@@H](c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017545650 KK Annotated Anodyne c1ccc(-c2ccc(CN3C[C@@H]4[C@H](c5ccccc5)C5(c6ccccc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017545653 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017545664 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017545667 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@H](CCN1CCOCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017545670 KK Annotated Anodyne COc1cc(OC)c([C@H](CCN2CCOCC2)c2ccc(N(C)C)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)CC(=O)O2 ZINC000017545673 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCN(c4ccccc4)CC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000017545676 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCN(c4ccccc4)CC3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000017545679 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000017545682 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000017545685 KK Annotated Anodyne COc1ccc([C@H]2C=C3CN(C(=O)OC(C)(C)C)S(=O)(=O)[C@H]3C[C@H]2OC(=O)c2ccc(C(F)(F)F)cc2)cc1 ZINC000017545704 KK Annotated Anodyne COc1cc([C@@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000017545707 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000017545710 KK Annotated Anodyne COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000017545713 KK Annotated Anodyne COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000017545716 KK Annotated Anodyne CCN(CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000017545719 KK Annotated Anodyne CCN(CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000017545722 KK Annotated Anodyne COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000017545725 KK Annotated Anodyne COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000017545728 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545737 KK Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545740 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545743 KK Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3c([C@H](CCN4CCC[C@@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545746 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545749 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545752 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCOCC2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017545755 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCOCC4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017545758 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545767 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545770 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCCCC2)c2ccc(N(C)C)cc2)cc1 ZINC000017545773 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCCCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545776 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCN(c4ccccc4)CC3)c3ccc4c(c3)OCO4)c(OC)cc(OC)c12 ZINC000017545797 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCN(c4ccccc4)CC3)c3ccc4c(c3)OCO4)c(OC)cc(OC)c12 ZINC000017545800 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545803 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545806 KK Annotated Anodyne COc1cc([C@@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545821 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545824 KK Annotated Anodyne COc1cc([C@@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545833 KK Annotated Anodyne COc1cc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545836 KK Annotated Anodyne COc1cc([C@@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545839 KK Annotated Anodyne COc1cc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545842 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545845 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545848 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCC[C@@H](C)C3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545851 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCC[C@@H](C)C3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545854 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN(CC)CC)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545857 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN(CC)CC)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000017545860 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545863 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545866 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCOCC2)c2ccc(N(C)C)cc2)cc1 ZINC000017545869 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc1 ZINC000017545872 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545875 KK Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545878 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCOCC2)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017545881 KK Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3c([C@H](CCN4CCOCC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000017545884 KK Annotated Anodyne CCN(CC)C(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000017545899 KK Annotated Anodyne CCN(CC)C(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(-c3ccccc3)cc(=O)oc12 ZINC000017545902 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017545965 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017545968 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000017545971 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017545974 KK Annotated Anodyne O=C1[C@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000017545977 KK Annotated Anodyne O=C1[C@@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000017545980 KK Annotated Anodyne O=C1[C@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000017545983 KK Annotated Anodyne O=C1[C@@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@@H]2[C@@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000017545986 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017545989 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017545992 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000017545995 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc6ccccc6c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017545998 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017546001 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017546004 KK Annotated Anodyne COc1ccc([C@@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017546007 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017546010 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc(OC)c(Cl)c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546013 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc(OC)c(Cl)c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546016 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc(OC)c(Cl)c5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000017546019 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc(OC)c(Cl)c5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546022 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546025 KK Annotated Anodyne Cc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546028 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000017546031 KK Annotated Anodyne Cc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546034 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546037 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546040 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000017546043 KK Annotated Anodyne COc1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546046 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546049 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@H]3CC=C[C@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546052 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@@H]43)c2)cc1 ZINC000017546055 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@H]3CC=C[C@@H]4[C@@H](c5ccc(C(F)(F)F)cc5)N(Cc5ccccc5)C(=O)[C@H]34)c2)cc1 ZINC000017546058 KK Annotated Anodyne O=C1[C@H]2[C@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000017546061 KK Annotated Anodyne O=C1[C@H]2[C@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000017546064 KK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2cccc(/C=C/c3ccccc3)c2)[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000017546067 KK Annotated Anodyne O=C1[C@@H]2[C@H](C=CC[C@H]2c2cccc(/C=C/c3ccccc3)c2)[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000017546070 KK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1S/C(=N\c2cccc(C)c2C)N(/N=C/c2cccc(OC)c2OC)C1=O ZINC000017574576 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1S/C(=N\c2cccc(C)c2C)N(/N=C(\C)c2ccc(C)cc2)C1=O ZINC000017574584 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1S/C(=N\c2cccc(C)c2C)N(/N=C(\C)c2ccc(C)cc2)C1=O ZINC000017574588 KK Annotated Mild C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000017574697 KK Annotated Reactive O=C(CCCCCNC(=O)c1ccccc1)/N=N\c1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000017576552 KK Annotated Clean C=CCN1C(c2cccc(C(F)(F)F)c2)=CS/C1=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000017576633 KK Annotated Reactive NC(=O)C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000017577076 KK Annotated Clean NC(=O)C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000017577080 KK Annotated Clean COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000017577259 KK Annotated Mild COc1ccc([C@@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017577342 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017577356 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017577360 KK Annotated Anodyne CCCCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000017577403 KK Annotated Anodyne CCCCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000017577408 KK Annotated Anodyne CCCCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000017577417 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577439 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017577443 KK Annotated Mild aggregator N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017577448 KK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000017577452 KK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000017577456 KK Annotated Mild FC(F)(F)c1ccc([C@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000017577464 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017577469 KK Annotated Mild aggregator N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017577473 KK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017577477 KK Annotated Mild aggregator N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017577481 KK Annotated Mild FC(F)(F)c1ccc(CN2C[C@@H]3[C@H](c4ccc(Cl)nc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577488 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000017577493 KK Annotated Mild Clc1ccc([C@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000017577500 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccc(Cl)nc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577504 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@H](c4ccc(Cl)nc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017577508 KK Annotated Anodyne FC(F)(F)c1ccc([C@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000017577516 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000017577520 KK Annotated Mild Clc1ccc([C@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000017577524 KK Annotated Anodyne c1ccc(-c2ccc(CN3C[C@@H]4[C@H](c5ccccc5)C5(c6cccnc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000017577531 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(P(=O)(c2ccccc2)c2ccccc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000017577535 KK Annotated Reactive COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccccc2)c1 ZINC000017577539 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017577543 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017577547 KK Annotated Anodyne CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000017594804 KK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000017594806 KK Annotated Reactive CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 ZINC000017594808 KK Annotated Reactive CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000017594810 KK Annotated Reactive C[C@@]12CO[C@@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1 ZINC000017595860 KK Annotated Reactive C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O ZINC000017596097 KK Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O ZINC000017596100 KK Annotated Mild C[C@@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CCc3c[nH]c4ccccc34)C=C2C1=O ZINC000017596108 KK Annotated Mild C[C@]1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(c3ccc(C#N)cc3)N(CCc3c[nH]c4ccccc34)C=C2C1=O ZINC000017596111 KK Annotated Mild COc1ccc(N2C=C3C(=O)[C@@](C)(OC(=O)CCc4ccccc4)C(=O)C=C3C=C2c2ccc(C#N)cc2)cc1 ZINC000017596118 KK Annotated Mild COc1ccc(N2C=C3C(=O)[C@](C)(OC(=O)CCc4ccccc4)C(=O)C=C3C=C2c2ccc(C#N)cc2)cc1 ZINC000017596120 KK Annotated Mild COc1ccc(CN2C=C3C(=O)[C@@](C)(OC(=O)CCc4ccccc4)C(=O)C=C3C=C2c2ccc(C#N)cc2)cc1 ZINC000017596122 KK Annotated Mild COc1ccc(CN2C=C3C(=O)[C@](C)(OC(=O)CCc4ccccc4)C(=O)C=C3C=C2c2ccc(C#N)cc2)cc1 ZINC000017596124 KK Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C(c3ccccc3)=C2C=C1CCCC(=O)OC ZINC000017596126 KK Annotated Mild CCN(CC)CCCN1C=C2C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C(c3ccccc3)=C2C=C1CCCC(=O)OC ZINC000017596129 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CCCCC1 ZINC000017596130 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1C1CCCCC1 ZINC000017596132 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1Cc1ccc2c(c1)OCO2 ZINC000017596137 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1Cc1ccc2c(c1)OCO2 ZINC000017596139 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1Cc1ccco1 ZINC000017596146 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1Cc1ccco1 ZINC000017596148 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017596150 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017596152 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCc1ccccn1 ZINC000017596154 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCc1ccccn1 ZINC000017596156 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1c1ccc(OC)cc1 ZINC000017596158 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1c1ccc(OC)cc1 ZINC000017596163 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1c1ccccc1 ZINC000017596165 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1c1ccccc1 ZINC000017596166 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1Cc1ccc(OC)cc1 ZINC000017596168 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1Cc1ccc(OC)cc1 ZINC000017596170 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCN(CC)CC ZINC000017596173 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCN(CC)CC ZINC000017596175 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccccc1 ZINC000017596177 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccccc1 ZINC000017596179 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCOC(C)C ZINC000017596181 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCOC(C)C ZINC000017596184 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccc2c(c1)OCO2 ZINC000017596187 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccc2c(c1)OCO2 ZINC000017596190 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCc1ccccn1 ZINC000017596198 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCc1ccccn1 ZINC000017596203 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1c1ccc(OC)cc1 ZINC000017596207 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1c1ccc(OC)cc1 ZINC000017596209 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccc(OC)cc1 ZINC000017596212 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccc(OC)cc1 ZINC000017596214 KK Annotated Mild C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccccc1Br ZINC000017611419 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccccc1Br ZINC000017611423 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@H](c4ccccc4Br)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccccc1Br ZINC000017611426 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccccc1Br ZINC000017611429 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000017611432 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000017611435 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000017611438 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000017611453 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000017611456 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@H](c4ccc(-c5ccco5)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000017611459 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000017611462 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000017611486 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000017611489 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000017611492 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000017611496 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000017611499 KK Annotated Mild C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000017611502 KK Annotated Mild C[C@@H]1CC[C@H]2C(=O)N3[C@H](c4ccc(C#CCN(C)C)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccccc1Br ZINC000017611505 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccc(C#CCN(C)C)cc1 ZINC000017611508 KK Annotated Mild C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1cccc(N2CCCC2=O)c1 ZINC000017611511 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1cccc(N2CCCC2=O)c1 ZINC000017611514 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1cccc(N2CCCC2=O)c1 ZINC000017611517 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1cccc(N2CCCC2=O)c1 ZINC000017611520 KK Annotated Anodyne CCCCCCC#Cc1cc(OC)c(OC)cc1C(N1C[C@@H](C)c2ccccc21)N1C[C@@H](C)c2ccccc21 ZINC000017611571 KK Annotated Mild CCCCCCC#Cc1cc(OC)c(OC)cc1C(N1C[C@@H](C)c2ccccc21)N1C[C@H](C)c2ccccc21 ZINC000017611574 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@H]([N+]5(C)CCCCC5)[C@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000017611657 KK Annotated Anodyne CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@@H]2C(C)(C)CCC[C@@]32C)cc2c1CC[C@H]1C(C)(C)CCC[C@@]21C ZINC000017653783 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000017654034 KK Annotated Mild COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)c1 ZINC000017654038 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)c1 ZINC000017654041 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@H](c4ccc(C(F)(F)F)cc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000017654042 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2O/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 ZINC000017654147 KK Annotated Mild COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](O/C(O)=N/S(=O)(=O)c1ccc(C)cc1)C2=O ZINC000017654157 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@H]2C=CC[C@@H](CCC[C@H]3O[C@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000017654183 KK Annotated Mild C=C(C[C@]1(C(=O)OC)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@@](CC=C(C)C)(C1)C2=O)C(=O)OC ZINC000017654185 KK Annotated Mild COCOc1c2c(c(OCOC)c3c(OCOC)cccc13)/C(=N/NS(=O)(=O)c1ccc(C)cc1)C1=C2CCCC1 ZINC000017654187 KK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@H](C(=O)OCC(F)(F)F)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000017654204 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCCOC(C)C ZINC000017654258 KK Annotated Mild COC(=O)CCCC1=CC2=C(c3ccccc3)C(=O)[C@](C)(OC(=O)C3CCCC3)C(=O)C2=CN1CCCOC(C)C ZINC000017654261 KK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)N[C@@H](C)c2ccccc2)CC3)c(C)c1 ZINC000017654447 KK Annotated Anodyne COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3)C(C)C ZINC000017654450 KK Annotated Anodyne COc1cccc(CC(=O)N2CCc3nc(-c4ccc(OC)cc4C)c4c(c3C2)CO[C@@H](c2ccccc2)C4)c1 ZINC000017654451 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(S(=O)(=O)c2c(C)noc2C)CC3)c(C)c1 ZINC000017654452 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc4c(c2)OCCN4C)CC3)c(C)c1 ZINC000017654453 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(C)cc2)CC3)c(C)c1 ZINC000017654456 KK Annotated Anodyne C[C@H]1Cc2c(-c3ccccc3)nc3c(c2CO1)CN(C(=O)c1cc(I)ccc1F)CC3 ZINC000017654461 KK Annotated Anodyne C[C@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)c1cc(I)ccc1F)CC3 ZINC000017654463 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(C#N)cc2)CC3)c(C)c1 ZINC000017654465 KK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(Cl)c4nonc24)CC3)c(C)c1 ZINC000017654467 KK Annotated Anodyne COC(=O)c1ccccc1S(=O)(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3 ZINC000017654469 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC3)c(C)c1 ZINC000017654473 KK Annotated Anodyne COC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc(Br)cc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](C)C2 ZINC000017654482 KK Annotated Anodyne CCCCC1=CC2=C(c3ccco3)C(=O)[C@@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017654488 KK Annotated Mild CCCCC1=CC2=C(c3ccco3)C(=O)[C@](C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCc1c[nH]c2ccccc12 ZINC000017654490 KK Annotated Mild CCC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccccc3c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](C)C2 ZINC000017654506 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000017654657 KK Annotated Anodyne CC[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)/C=C(/O)[C@@H](C)C[C@@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CCC(C)(C)O1 ZINC000017654734 KK Annotated Mild CC[C@@H](C)C[C@H](C)C[C@@H](C)C(=O)/C=C(/O)[C@@H](C)C[C@@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CCC(C)(C)O1 ZINC000017654740 KK Annotated Mild COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654986 KK Annotated Anodyne COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654988 KK Annotated Anodyne COc1cc([C@@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654991 KK Annotated Anodyne COc1cc([C@H](CCN2CCCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017654993 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017654995 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017654997 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@H](CCN1CCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017654999 KK Annotated Anodyne COc1cc(OC)c([C@H](CCN2CCCC2)c2ccc(N(C)C)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)CC(=O)O2 ZINC000017655001 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655011 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655013 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCC[C@@H](C)C2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017655015 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)Oc3c([C@H](CCN4CCC[C@@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000017655018 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655021 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655023 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@H](CCN1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655025 KK Annotated Anodyne COc1cc(OC)c([C@H](CCN2CCC[C@@H](C)C2)c2ccc(N(C)C)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)CC(=O)O2 ZINC000017655027 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655029 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@@H](CCN1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655031 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@H](CCN1CCCCC1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655032 KK Annotated Anodyne COc1cc(OC)c([C@H](CCN2CCCCC2)c2ccc(N(C)C)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)CC(=O)O2 ZINC000017655034 KK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000017655073 KK Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(OC)cc1 ZINC000017655076 KK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(OC)cc1 ZINC000017655079 KK Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(OC)cc1 ZINC000017655083 KK Annotated Anodyne COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655085 KK Annotated Anodyne COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655087 KK Annotated Anodyne COc1cc([C@@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655089 KK Annotated Anodyne COc1cc([C@H](CCN2CCCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000017655091 KK Annotated Anodyne COc1ccc([C@@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000017655101 KK Annotated Anodyne COc1ccc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(OC)cc2)cc1 ZINC000017655103 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCOCC2)c2ccc(OC)cc2)cc1 ZINC000017655105 KK Annotated Anodyne COc1ccc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(OC)cc2)cc1 ZINC000017655107 KK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655187 KK Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655189 KK Annotated Anodyne CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655191 KK Annotated Anodyne CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655193 KK Annotated Anodyne CCN(CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655206 KK Annotated Anodyne CCN(CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000017655208 KK Annotated Anodyne CCN(CC)CC[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655211 KK Annotated Anodyne CCN(CC)CC[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c1OC(=O)C[C@H]2c1ccc(N(C)C)cc1 ZINC000017655214 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017655217 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017655220 KK Annotated Anodyne COc1ccc([C@@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017655222 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000017655225 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017655245 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017655247 KK Annotated Anodyne CCCCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000017655271 KK Annotated Anodyne CCCCCCC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000017655273 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017655283 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017655285 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)Oc3ccc(C(F)(F)F)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017720055 KK Annotated Anodyne CCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000017778649 KK Annotated Anodyne Cc1ccc(CN2C(=O)C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC=C[C@@H]2c2ccc(C)cc2)cc1 ZINC000017781373 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017783961 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1[C@H](c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000017784193 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)Nc3ccccc3-c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000017824223 KK Annotated Anodyne CCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000017835601 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)Nc3ccccc3-c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018006400 KK Annotated Anodyne Cc1ccc(CN2C(=O)C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)CC=C[C@H]2c2ccc(C)cc2)cc1 ZINC000018007307 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018037468 KK Annotated Anodyne CN(C)c1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000018059350 KK Annotated Reactive COc1ccc([C@@H]2C=CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018059887 KK Annotated Anodyne CCCCC(=O)N1CC=C[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000018061580 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(C(=O)c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018062128 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)c3ccc4ccccc4c3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018062651 KK Annotated Anodyne C[C@@]1(N)Cc2cccc(c2)/C=C/C(c2ccccc2)=N/C(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000018066200 KK Annotated Mild COc1ccc([C@@H]2C=CCN(C(=O)Oc3ccc(C(F)(F)F)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018068448 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018069081 KK Annotated Anodyne CC1=NN(c2ccc(Cl)cc2)C(=O)[C@H]1[C@H](c1ccccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000018069279 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018087228 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018099484 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018100743 KK Annotated Anodyne COc1ccc(/N=C2C(=N\c3ccc(OC)cc3)/N(C(=O)c3ccc(OC)cc3)C(=S)N/2c2ccc(OC)cc2)cc1 ZINC000018129004 KK Annotated Mild COc1ccc([C@@H]2C=CCN(C(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018129209 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018152742 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018155156 KK Annotated Anodyne CCCCCCC(=O)N1CC=C[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000018159119 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000018182084 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)C2([C@H]3C(SC)=CC(C)(C)C[C@H]3S1)N(Cc1ccccc1)CCN2Cc1ccccc1 ZINC000019320054 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)C2([C@H]3C(SC)=CC(C)(C)C[C@@H]3S1)N(Cc1ccccc1)CCN2Cc1ccccc1 ZINC000019320931 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)C2([C@@H]3C(SC)=CC(C)(C)C[C@@H]3S1)N(Cc1ccccc1)CCN2Cc1ccccc1 ZINC000019321901 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)C2([C@@H]3C(SC)=CC(C)(C)C[C@H]3S1)N(Cc1ccccc1)CCN2Cc1ccccc1 ZINC000019321904 KK Annotated Anodyne CN(C)c1ccc(C2N([C@H](C#N)c3ccc(N(C)C)cc3)CCCN2[C@@H](C#N)c2ccc(N(C)C)cc2)cc1 ZINC000019322686 KK Annotated Mild Cc1ccc(O)c(-c2csc(NCN3CCN(CNc4nc(-c5cc(C)ccc5O)cs4)CC3)n2)c1 ZINC000019365756 KK Annotated Anodyne CN1CCN(Cn2nc(-c3ccccc3)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)CC1 ZINC000019365759 KK Annotated Mild CN1CCN(Cn2nc(COc3ccc(Cl)cc3)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)CC1 ZINC000019366477 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000194857814 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000194857828 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000194857856 KK Annotated Anodyne O=C(O)c1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC2=N3)cc1 ZINC000194869350 KK Annotated Anodyne O=C(O)c1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3\C=CC2=N3)cc1 ZINC000194869386 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@H]2N3)cc1 ZINC000194869407 KK Annotated Anodyne Cc1nc2nc3c(ncn3COCCO[Si](C)(C)C(C)(C)C)c(O)n2c1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000194888830 KK Annotated Reactive CCCCCCO[C@@H](C)c1c(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)[C@@H](C)[C@@H]6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]3C ZINC000194946243 KK Annotated Bother C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(F)(F)F ZINC000194954178 KK Annotated Mild CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000194957641 KK Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000194957659 KK Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@]3(C)C1(C)C ZINC000194959637 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@]3(C)C1(C)C ZINC000194959652 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@]3(C)C1(C)C ZINC000194959667 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@]3(C)C1(C)C ZINC000194959679 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000194960389 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000194960407 KK Annotated Mild CCCCCCCCCCCCCCCC[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 ZINC000194960422 KK Annotated Mild CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000195003999 KK Annotated Anodyne CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000195004021 KK Annotated Anodyne COc1ccc(CCN(C)CC#CCC[C@](O[Si](C)(C)C)(c2ccccc2)C2SCCCS2)cc1OC ZINC000195006363 KK Annotated Reactive COc1ccc(CCN(C)CC#CCC[C@@](O[Si](C)(C)C)(c2ccccc2)C2SCCCS2)cc1OC ZINC000195006383 KK Annotated Reactive CSc1ccc(NC(=O)N[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)cc1 ZINC000195014474 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12OS(=O)(=O)C=C2N ZINC000195016775 KK Annotated Reactive O=P(OCc1ccccc1)(OCc1ccccc1)O[C@@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000195028692 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000195028706 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000195028720 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]1OCc1ccccc1 ZINC000195028733 KK Annotated Anodyne C/C(=C\C[C@@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000195052635 KK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000195052651 KK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000195052662 KK Annotated Clean C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000195063187 KK Annotated Reactive C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000195063203 KK Annotated Reactive C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000195063216 KK Annotated Reactive CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000195072819 KK Annotated Anodyne CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000195072837 KK Annotated Anodyne CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)c21 ZINC000195072852 KK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195073807 KK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccc2c(c1)C[C@@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000195073820 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@]34CC[C@H](CCCN3[C@@H]21)O4 ZINC000195075155 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000195078370 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000195078390 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000195081183 KK Annotated Reactive C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000195081201 KK Annotated Reactive O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C\C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000195084566 KK Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCCCOC(=O)N1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000195086231 KK Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCCOC(=O)N1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000195086250 KK Annotated Anodyne C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@@H]([C@H](C)C(=O)[C@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000195098013 KK Annotated Mild C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@@H]([C@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000195098027 KK Annotated Mild C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@@H]([C@@H](C)C(=O)[C@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000195098039 KK Annotated Mild C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000195098053 KK Annotated Mild CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195098660 KK Annotated Reactive CSc1ccc(CC(=O)OCC[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)cc1 ZINC000195100226 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000195100243 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195100508 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195100517 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195100531 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195100547 KK Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195100857 KK Annotated Anodyne C/C1=C/[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000195103218 KK Annotated Anodyne C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@H]%13[C@@]%114C[N+](C)(C)C[C@]%104C=9[C@H]8[C@@H]7C5=C6[C@@]23C1 ZINC000195107067 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@H]%13[C@]%114C[N+](C)(C)C[C@]%104C=9[C@H]8[C@@H]7C5=C6[C@@]23C1 ZINC000195107109 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@]%104C=9[C@H]8[C@@H]7C5=C6[C@@]23C1 ZINC000195107140 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@H]%18[C@H]2c4c6c8c%10c(c4-%17)[C@H]%16[C@@H]%13[C@]%114C[N+](C)(C)C[C@]%104C=9[C@H]8[C@@H]7C5=C6[C@@]23C1 ZINC000195107185 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)cc1OC ZINC000195107384 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)cc1OC ZINC000195107395 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)cc1OC ZINC000195107409 KK Annotated Bother CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2c(c6C)c1=O)C1=CC=C(C(=O)OC)[C@H](C(=O)OC)[C@@]15C)c(CC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000195108025 KK Annotated Bother CCCN1C(=O)c2ccccc2[C@@]1(OCc1cc(OC)c(O)c(OC)c1)c1ccc(OCOCC[Si](C)(C)C)cc1 ZINC000195111439 KK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(OCc1cc(OC)c(O)c(OC)c1)c1ccc(OCOCC[Si](C)(C)C)cc1 ZINC000195111448 KK Annotated Anodyne O=C(O)CO/N=C1\CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000195114033 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2cccc(F)c2)C[C@H]3c2cccc(F)c2)c1 ZINC000195114462 KK Annotated Mild Fc1cccc([C@H]2C[C@@H](c3cccc(F)c3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2cccc(F)c2)N[C@H]3c2cccc(F)c2)c1 ZINC000195114482 KK Annotated Mild C=CC[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195118276 KK Annotated Reactive COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000195120248 KK Annotated Anodyne COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000195120261 KK Annotated Anodyne COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000195120273 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C\C/C=C(\C=C(c6nccc7c6[nH]c6ccccc67)[C@H]3CC5)[C@@H]4N2CCCC1 ZINC000195121063 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C/C/C=C(\C=C(c6nccc7c6[nH]c6ccccc67)[C@H]3CC5)[C@@H]4N2CCCC1 ZINC000195121084 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C/C/C=C(/C=C(c6nccc7c6[nH]c6ccccc67)[C@H]3CC5)[C@@H]4N2CCCC1 ZINC000195121097 KK Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CN(CC3CCCCC3)CC3CCCCC3)[C@@H](O)[C@@H]2O)O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195122192 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000195123083 KK Annotated Mild CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195125732 KK Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195125744 KK Annotated Anodyne Cc1cn([C@@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]3(OS(=O)(=O)C=C3NC(=O)NC(=O)c3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O ZINC000195132760 KK Annotated Reactive C1=C/C2=C(/c3ccccc3)[C@H]3C=C[C@@H](N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(/c3ccccc3)C3=N/C(=C(/c4ccccc4)C1=N2)C=C3 ZINC000195134715 KK Annotated Anodyne C1=C/C2=C(/c3ccccc3)[C@H]3C=C[C@@H](N3)/C(c3ccccc3)=c3\cc/c([nH]3)=C(/c3ccccc3)C3=N/C(=C(/c4ccccc4)C1=N2)C=C3 ZINC000195134731 KK Annotated Anodyne O=C1/C(=C/c2ccccc2Cl)CN2C[C@@]13[C@@H](c1ccccc1Cl)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000195137229 KK Annotated Mild COC(=O)C[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195140349 KK Annotated Reactive CCCCCCCCCC[C@@]1(C)SC(=O)C(CCC)=C1OCCCCCCO[Si](C)(C)C(C)(C)C ZINC000195141750 KK Annotated Reactive CCCCCCCCCC[C@]1(C)SC(=O)C(CCC)=C1OCCCCCCO[Si](C)(C)C(C)(C)C ZINC000195141763 KK Annotated Reactive O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC2=N3)cc1 ZINC000195144691 KK Annotated Anodyne O=C(O)c1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC2=N3)cc1 ZINC000195144712 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@H]2N3)cc1 ZINC000195144727 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=C1\C=CC(=N1)/C(c1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C(c1ccc(C(=O)O)cc1)=c1/cc/c([nH]1)=C/2c1ccc(C(=O)O)cc1 ZINC000195145341 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=c1\cc/c([nH]1)=C(\c1ccc(C(=O)O)cc1)C1=N/C(=C(/c3ccc(C(=O)O)cc3)C3=N/C(=C/2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000195145352 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=C1\C=CC(=N1)/C(c1ccc(C(=O)O)cc1)=C1/C=CC(=N1)/C(c1ccc(C(=O)O)cc1)=c1\cc/c([nH]1)=C/2c1ccc(C(=O)O)cc1 ZINC000195145368 KK Annotated Anodyne CN1[C@@H]2C=C[C@@H]1/C(c1ccc(C(=O)O)cc1)=c1\cc/c([nH]1)=C(/c1ccc(C(=O)O)cc1)C1=N/C(=C(/c3ccc(C(=O)O)cc3)C3=N/C(=C/2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000195145381 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195149283 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195149298 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195149309 KK Annotated Mild C=C1[C@@H](O[Si](CC)(CC)CC)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C=C1CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000195152027 KK Annotated Reactive CC(C)(C)[Si](OCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000195154836 KK Annotated Reactive C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](COCc2ccccc2)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 ZINC000195155575 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C/CCC[C@H](COCc2ccccc2)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 ZINC000195155590 KK Annotated Anodyne COc1ccc(CN2C[C@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@@H]3C=C(C(C)C)[C@]54C(=O)O)OC[C@H]2C)cc1 ZINC000195157749 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCC/C=C\CCCC/C=C\CC/C=C/[C@@H](O)C#C ZINC000195157944 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@H](O)C#CCC/C=C\CCCC/C=C\CC/C=C/[C@@H](O)C#C ZINC000195157956 KK Annotated Mild CC1=CC(C)=[N+]2C1=C(CCCC(=O)NCCOCCOCCOc1cc(C3(C(F)(F)F)N=N3)ccc1CO)c1c(C)cc(C)n1[B-]2(F)F ZINC000195158836 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195159067 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195159081 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195159093 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195159102 KK Annotated Reactive CC(C)(C)[Si](OCCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CCO)(c1ccccc1)c1ccccc1 ZINC000195159864 KK Annotated Reactive CC[C@@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)oc(=O)c4c3C ZINC000195160455 KK Annotated Bother C=CC[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195161181 KK Annotated Reactive COC(=O)C[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195161940 KK Annotated Reactive O=C1/C(=C/c2ccc(Br)cc2)CN2C[C@@]13[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000195164181 KK Annotated Mild O=C1/C(=C/c2ccc(Br)cc2)CN2C[C@@]13[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000195164191 KK Annotated Mild COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@@H](O[SiH2]C(C)(C)C)C2)cc1OC(C)C ZINC000195165011 KK Annotated Reactive COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)C(=O)[C@H](O[SiH2]C(C)(C)C)C2)cc1OC(C)C ZINC000195165019 KK Annotated Reactive CC(C)(C)[Si](OCCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CC(=O)O)(c1ccccc1)c1ccccc1 ZINC000195165114 KK Annotated Reactive CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(c4ccc(Cl)s4)[C@H](C)CO2)[C@]13C(=O)O ZINC000195165289 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195167612 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195167622 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195167637 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195167648 KK Annotated Reactive O=S(=O)(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)N[C@H]1CC[C@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000195167765 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)N[C@@H]1CC[C@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000195167780 KK Annotated Anodyne C=C(Cl)CN1C[C@H](OC[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)OCC12CCCC2 ZINC000195169898 KK Annotated Mild CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CC)c1CC)/C=c1\[nH]/c(c(C)c1CC)=C/C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2 ZINC000195172306 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CC)c1CC)/C=c1\[nH]/c(c(C)c1CC)=C/C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C\2 ZINC000195172317 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CC)c1CC)/C=c1\[nH]/c(c(C)c1CC)=C/C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C\2 ZINC000195172328 KK Annotated Anodyne Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C(C)C)[C@@]3(OS(=O)(=O)C=C3NC(=O)NC(=O)c3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C(C)C)c(=O)n(C)c1=O ZINC000195172655 KK Annotated Reactive CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)c2ccccc2C(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3ccccc3B(O)O)c3ccccc23)c2ccccc12 ZINC000195173536 KK Annotated Reactive C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1Cl ZINC000195174701 KK Annotated Anodyne C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccccc1Cl ZINC000195174713 KK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccccc1Cl ZINC000195174723 KK Annotated Anodyne C=C1C(=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000195176133 KK Annotated Reactive CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000195176285 KK Annotated Bother CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(Cc4ccccc4Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000195176918 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC=C(Cl)Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000195177046 KK Annotated Mild C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000195178387 KK Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000195178396 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](c1ccco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195181666 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@H](c1ccco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195181678 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@@H](c1ccco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195181688 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@H](c1ccco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195181698 KK Annotated Reactive COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](CN=[N+]=[N-])c1ccc2c(c1)OCO2 ZINC000195185878 KK Annotated Reactive C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000195186358 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195186653 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195186665 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195186677 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195186687 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195192164 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195192175 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195192187 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195192192 KK Annotated Reactive CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@H]1C(=O)N[C@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000195193236 KK Annotated Anodyne CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@H]1C(=O)N[C@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000195193248 KK Annotated Anodyne CC[C@@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N[C@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000195193258 KK Annotated Anodyne CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N[C@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@@H]12 ZINC000195193267 KK Annotated Anodyne CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]([C@H](OC(=O)c2ccccc2)[C@@H](CN=[N+]=[N-])c2ccc3c(c2)OCO3)O1 ZINC000195193583 KK Annotated Reactive O=C1/C(=C/c2cccc3ccccc23)CN2C[C@@]13[C@@H](c1cccc4ccccc14)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@@]21O ZINC000195201457 KK Annotated Mild C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1Cc1ccccc1)C2 ZINC000195202383 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1Cc1ccccc1)C2 ZINC000195202396 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)c1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195203253 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)c1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195203262 KK Annotated Anodyne C=CC[N+]1(CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000195203481 KK Annotated Mild C=CC[N+]1(CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000195203492 KK Annotated Mild C=CC[N+]1(CCCCCCCCCOC(=O)CC[N+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000195203507 KK Annotated Mild C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OCCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195204805 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OCCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195204814 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000195207016 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000195207034 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000195207047 KK Annotated Anodyne C=C(Cl)CN1CC[C@H](OC[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)O[C@H](C)C1 ZINC000195207992 KK Annotated Mild CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)Cc2ccccc2CC(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3ccccc3B(O)O)c3ccccc23)c2ccccc12 ZINC000195210731 KK Annotated Reactive CC(C)(C)Oc1ccc(C[C@H]2N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000195210944 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H]2N[C@@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000195210960 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000195212951 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C\CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000195212964 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000195212968 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000195212992 KK Annotated Anodyne COc1cc(C(=O)N2[C@H](c3nccs3)[C@H](C(=O)N(OC)[C@H](C)c3ccccc3)C[C@@]2(CC(C)C)C(=O)OC(C)(C)C)ccc1C(C)(C)C ZINC000195213884 KK Annotated Anodyne COc1cc(C(=O)N2[C@H](c3nccs3)[C@@H](C(=O)N(OC)[C@H](C)c3ccccc3)C[C@@]2(CC(C)C)C(=O)OC(C)(C)C)ccc1C(C)(C)C ZINC000195213899 KK Annotated Anodyne C=C1[C@@H](O[Si](CC)(CC)CC)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000195214203 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000195214370 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000195214383 KK Annotated Mild CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)[C@@](O)(CC)[C@@]1(C)O ZINC000195214911 KK Annotated Bother CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000195216353 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000195216364 KK Annotated Mild C=C1CCC(C)=CC[C@@H]1C[C@H](/C=C(\I)CCCC1OCCO1)O[Si](C)(C)C(C)(C)C ZINC000195218497 KK Annotated Reactive CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)C6=C(C[C@@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000195218611 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)C6=C(C[C@@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000195218631 KK Annotated Mild C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)Nc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195221464 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)Nc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195221477 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195222387 KK Annotated Anodyne C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000195222401 KK Annotated Anodyne CC(C)(C)[Si](OCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CC(=O)O)(c1ccccc1)c1ccccc1 ZINC000195222464 KK Annotated Reactive COCO[C@H]1C[C@@H]2C[C@@H](O[Si](C)(C)C)[C@H]3[C@](C)(CCC[C@@]3(C#N)COCc3ccccc3)[C@]23CC[C@@]1(C)C3 ZINC000195224271 KK Annotated Reactive COCO[C@H]1C[C@@H]2C[C@@H](O[Si](C)(C)C)[C@@H]3[C@](C)(CCC[C@@]3(C#N)COCc3ccccc3)[C@]23CC[C@@]1(C)C3 ZINC000195224285 KK Annotated Reactive CC(C)(C)[Si](Oc1ccc([C@@H](NC(=O)c2ccccc2)C(=O)O)cc1I)(c1ccccc1)c1ccccc1 ZINC000195224533 KK Annotated Reactive CC(C)(C)[Si](Oc1ccc([C@H](NC(=O)c2ccccc2)C(=O)O)cc1I)(c1ccccc1)c1ccccc1 ZINC000195224549 KK Annotated Reactive CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195224924 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195224941 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195224953 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@@H]45)[C@]3(C)CC[C@@H]12 ZINC000195224966 KK Annotated Anodyne CN(C)c1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000195225396 KK Annotated Anodyne CN(C)c1ccc([C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000195225406 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@@H]1[C@@H]([C@H]3[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195226486 KK Annotated Anodyne C[C@@H]1[C@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C/C\C=5)C7)[C@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000195226877 KK Annotated Bother C[C@@H]1[C@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C/C/C=5)C7)[C@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000195226897 KK Annotated Bother C[C@@H]1[C@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C\C=5)C7)[C@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000195226919 KK Annotated Bother C[C@@H]1[C@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C/C=5)C7)[C@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000195226940 KK Annotated Bother O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Cl)cc7)cccc56)[C@@H]1CC4)[C@H]23 ZINC000195227671 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@@H]1CC4)[C@H]23 ZINC000195230339 KK Annotated Anodyne CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000195231896 KK Annotated Anodyne CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000195231907 KK Annotated Anodyne CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@@H]7/C=C/CCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000195231916 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@@H]1CC4)[C@H]23 ZINC000195232358 KK Annotated Anodyne C[C@@H]1C=C[C@@H](COC(=O)CCC(=O)O)[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000195234855 KK Annotated Bother C[C@H]1C=C[C@@H](COC(=O)CCC(=O)O)[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000195234878 KK Annotated Bother C[C@@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000195234899 KK Annotated Bother C[C@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000195234916 KK Annotated Bother C#Cc1cccc(N[C@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@H](O)C[C@H]2O)c1 ZINC000195235365 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@@H](O)C[C@H]2O)c1 ZINC000195235381 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195235800 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195235809 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195235823 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195235836 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](O)[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@H]2O)c1 ZINC000195236387 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](O)[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@H]2O)c1 ZINC000195236405 KK Annotated Mild Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195237764 KK Annotated Anodyne Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195237780 KK Annotated Anodyne CN1C[C@@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@]3(C1)[C@H]([C@@H]2%15)[C@@]61CN(C)C[C@]%16%191)[C@H]4[C@H]5%10 ZINC000195238384 KK Annotated Bother CN1C[C@@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@@]3(C1)[C@H]([C@@H]2%15)[C@@]61CN(C)C[C@]%16%191)[C@H]4[C@H]5%10 ZINC000195238404 KK Annotated Bother CCOC(=O)CN(c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(=O)OCC)[C@H](C)C(=O)OCC)[C@@H](C)C(=O)OCC ZINC000195238487 KK Annotated Anodyne CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195240881 KK Annotated Reactive C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@@]2(OCCC[C@H]2C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195241554 KK Annotated Reactive C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@]53C1)[C@@H]%11[C@@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000195241905 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c-5c5c9c%10c(c%11c%12c%13c%10c%10c%14c%15c%16c%17c%10c9c8c-%17c8c7c7c9c%10c%17c%18c%19c-%10c(c-%15c%10c%19c%15c(c=%12c%12c-%11c2c2c4c4c6c7c%17c4c4c2c%12c%15c%184)[C@@H]%10[C@H]%13%14)[C@@H]%16[C@H]89)[C@]53C1 ZINC000195241919 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@]53C1)[C@@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000195241939 KK Annotated Bother Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000195242673 KK Annotated Anodyne Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000195242686 KK Annotated Anodyne C[C@@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@@H]48)[C@]523 ZINC000195243220 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@@H]48)[C@]523 ZINC000195243244 KK Annotated Mild C[C@@]12CCC/C(=N\OCC(=O)O)[C@H]1[C@@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@@H]48)[C@]523 ZINC000195243266 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@H]1[C@@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@@H]48)[C@]523 ZINC000195243282 KK Annotated Mild C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)[C@@H]5[C@H]%22c5c4c4c6c(c5-%21)[C@H]([C@H]%20%17)[C@@]5(C[N+](C)(C)C[C@]%13%165)C6=C%12[C@H]%10[C@H]42)[C@@]73C1 ZINC000195243903 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@@H]%19[C@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@]8%114)[C@@H]9[C@@H]7C5=C6[C@]23C1 ZINC000195243930 KK Annotated Bother C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c6c6c8c8c%25c9c%11c%14c%25c9c%15c%18c%11c(c%23%19)c%24c6c8c%119)[C@@H]5[C@H]%22c5c4c4c6c(c5-%21)[C@H]([C@H]%20%17)[C@@]5(C[N+](C)(C)C[C@]%13%165)C6=C%12[C@H]%10[C@@H]42)[C@@]73C1 ZINC000195243957 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@@H]%19[C@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@]8%114)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000195243982 KK Annotated Bother N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCCN(C(=O)[C@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C/c5ccccc5)CC4)CC3)cc2)cc1 ZINC000195244813 KK Annotated Mild CCCCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCCCCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000195245003 KK Annotated Mild CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195247629 KK Annotated Anodyne CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195247640 KK Annotated Anodyne C=C(c1ccc(OC)cc1)[C@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000195247912 KK Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000195247924 KK Annotated Reactive C[N+]12CCN(CC1)[C@@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@]532)[C@@H]%11[C@@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000195248096 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@]532)[C@@H]%11[C@@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000195248111 KK Annotated Bother C[N+]12CCN(CC1)[C@@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000195248135 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000195248153 KK Annotated Bother Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(NS(=O)(=O)C(c4ccccc4)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C(=O)OC(C)(C)C)c1=O ZINC000195248547 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195249919 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195249932 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195249945 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195249956 KK Annotated Reactive C[Si](C)(C)CC[C@@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000195251549 KK Annotated Mild C[Si](C)(C)CC[C@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000195251562 KK Annotated Mild COc1ccc(C(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 ZINC000195251955 KK Annotated Reactive CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000195253241 KK Annotated Anodyne CC(C)CCC[C@@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000195253249 KK Annotated Anodyne CC(C)CCC[C@@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@@H](C[C@@H]4C[C@@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000195253265 KK Annotated Anodyne O=C(O)CCC(=O)O[C@@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000195253755 KK Annotated Bother O=C(O)CCC(=O)O[C@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000195253773 KK Annotated Bother O=C(O)CCC(=O)O[C@@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000195253791 KK Annotated Bother O=C(O)CCC(=O)O[C@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]53C1 ZINC000195253807 KK Annotated Bother COc1ccc(-c2ccc3n2[B-](F)(F)[N+]2=C(C)C(CCC(=O)NCCCCCC(=O)NCCCC[C@@H](NC(=O)[C@H](N)Cc4ccccc4)C(=O)COC(=O)c4c(C)cccc4C)=C(C)C2=C3)cc1 ZINC000195254252 KK Annotated Anodyne COC(=O)[C@H]1NC(=O)[C@@H](c2ccc(OC)c(Br)c2)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cc(O)c(OC)c(c2)Oc2ccc(cc2Cl)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195256650 KK Annotated Reactive CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000195256758 KK Annotated Mild CO[C@H]1CC(=O)C[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@@]%2112)[C@H]%18[C@@H]3[C@@]1(C4)[C@H](OC)CC(=O)C[C@@]%171C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000195263364 KK Annotated Bother COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OCc3cn(CCCCCCCCCOC(=O)CCC4=[N+]5C(=Cc6c(C)cc(C)n6[B-]5(F)F)C=C4)nn3)c(OC)c2)cc(OC)c1OC ZINC000195263388 KK Annotated Mild CO[C@H]1CC(=O)C[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@@]%2112)[C@H]%18[C@@H]3[C@@]1(C4)[C@@H](OC)CC(=O)C[C@@]%171C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000195263390 KK Annotated Bother CO[C@H]1CC(=O)C[C@@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@@]%2112)[C@H]%18[C@@H]3[C@@]1(C4)[C@H](OC)CC(=O)C[C@]%171C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000195263414 KK Annotated Bother CO[C@H]1CC(=O)C[C@]23C4=C5Cc6c7c5c5c8c9c%10c%11c%12c(c2c2c%13c%14c%15c%16c%17c%18c%19c%20c(c6c6c%20c%20c%18c%18c%21c%17c%14c%14c(c%12%13)c%11c%11c9c9c%12c8c7c6c%12c%20c%18c9c%11c%14%21)=C6C[C@]13[C@@H]([C@@H]2%15)[C@]61CC(=O)C[C@H](OC)[C@]%16%191)[C@H]4[C@@H]5%10 ZINC000195263438 KK Annotated Bother CCOc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)C)N2c3ccc(Br)cc3C=C[C@H]2C12C(=O)c1ccccc1C2=O ZINC000195263643 KK Annotated Clean c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@H]3c4cccn4C[C@@H]23)cc1 ZINC000195264539 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@@H]3c4cccn4C[C@H]32)cc1 ZINC000195264553 KK Annotated Anodyne C[Si](C)(C)CC[C@H](CCC(F)(F)F)N1CC[C@@H](CC(=O)O)C(F)(F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000195266883 KK Annotated Mild C[N+](C)(C)CCC[Si]1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000195267001 KK Annotated Bother Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@H]7C=CCCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000195268204 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@H]7/C=C/CCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000195268214 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C/CCCCN6CC[C@@H]4[C@]4(C[C@H]7/C=C/CCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000195268225 KK Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)N(C3CCCCC3)[C@@H](C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000195268323 KK Annotated Mild N#Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H](C(=O)c3ccccc3)N(C3CCCCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000195268335 KK Annotated Mild COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 ZINC000195268986 KK Annotated Reactive COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 ZINC000195268999 KK Annotated Reactive CC(C)(C)[Si](OC[C@H]1C[C@H](N=[N+]=[N-])[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)S1)(c1ccccc1)c1ccccc1 ZINC000195271668 KK Annotated Reactive C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)CN(CCCc3ccccc3)C2)C1=O ZINC000195273976 KK Annotated Reactive C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)CN(CCCc3ccccc3)C2)C1=O ZINC000195273987 KK Annotated Reactive COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)CC(=O)N1[C@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195275670 KK Annotated Reactive CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000195275939 KK Annotated Clean CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000195275951 KK Annotated Clean CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3/C=C/CCCCN3[C@@H]21 ZINC000195275965 KK Annotated Clean O=C(O)CO/N=C1\C=C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@@H]%14[C@@H]%13%10)[C@@]3(C1)c(c=5c%117)c%12%16 ZINC000195276767 KK Annotated Mild O=C(O)CO/N=C1\C=C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%15c%15c-%14c%14c%19c%20c(c-9c9c8c8c6c6c4c4c2c=%17c2c%18c%17c%15c%19c%15c%18c%20c9c9c8c6c6c4c2c(c%17%15)c6c%189)[C@@H]%14[C@@H]%13%10)[C@]3(C1)c(c=5c%117)c%12%16 ZINC000195276785 KK Annotated Mild CN(C)CCC/N=C1\c2c(nc3ccc(Cl)cc3c2O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1Cc1ccccc1 ZINC000195277296 KK Annotated Mild CN(C)CCC/N=C1/c2c(nc3ccc(Cl)cc3c2O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1Cc1ccccc1 ZINC000195277308 KK Annotated Mild C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000195278449 KK Annotated Reactive CN(C)CCC/N=C1\c2c(nc3ccc(Cl)cc3c2O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 ZINC000195278933 KK Annotated Mild CN(C)CCC/N=C1/c2c(nc3ccc(Cl)cc3c2O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 ZINC000195278946 KK Annotated Mild CCCN1C(=O)c2ccccc2[C@@]1(OCCc1ccccn1)c1ccc(OCOCC[Si](C)(C)C)cc1 ZINC000195281803 KK Annotated Anodyne CCCN1C(=O)c2ccccc2[C@]1(OCCc1ccccn1)c1ccc(OCOCC[Si](C)(C)C)cc1 ZINC000195281812 KK Annotated Anodyne C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000195282182 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000195283117 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000195283129 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000195283148 KK Annotated Anodyne CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195284126 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000195285884 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000195285894 KK Annotated Mild CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000195286408 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000195286427 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000195286434 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000195286446 KK Annotated Anodyne CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)C(=O)[C@@]1(C)CC ZINC000195288701 KK Annotated Bother COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4cc(Cl)ccc4C)C(=O)[C@H]23)cc1 ZINC000195291098 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1C/C=C\CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000195291306 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1C/C=C/CCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000195291315 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000195291497 KK Annotated Mild COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000195292354 KK Annotated Bother COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccc(OC)cc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000195292365 KK Annotated Bother CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195292712 KK Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@H](COC(=O)CCC(=O)OC[C@@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000195292740 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 ZINC000195292863 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000195292874 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 ZINC000195292883 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 ZINC000195292892 KK Annotated Reactive CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000195294249 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1C2 ZINC000195294256 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000195294267 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1C(=O)O ZINC000195294276 KK Annotated Anodyne O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000195294451 KK Annotated Anodyne CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)CCCCC(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3ccccc3B(O)O)c3ccccc23)c2ccccc12 ZINC000195295055 KK Annotated Reactive COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@@H]([C@H](O)[C@H](NCCCNC(=O)[C@@H](C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 ZINC000195295948 KK Annotated Reactive COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@H](O)[C@H](NCCCNC(=O)[C@@H](C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 ZINC000195295961 KK Annotated Reactive O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000195297005 KK Annotated Bother O=C(c1ccc(F)cc1)[C@@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000195297030 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000195297040 KK Annotated Bother Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)C3C(=NO)C2[C@@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000195297549 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1C=CC[C@@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@@]13O2 ZINC000195298362 KK Annotated Mild CC(C)C[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000195298424 KK Annotated Anodyne CC(C)C[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000195298432 KK Annotated Anodyne CC(C)C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000195298445 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CN3C[C@@H](C)C[C@H](C)C3)c(C)c2)cc(C)c1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000195299349 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(OC)cc3)[C@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000195301390 KK Annotated Bother COC(=O)[C@H]1NC(=O)[C@@H](c2ccc(OC)c(Br)c2)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cc(O)c(OC)c(c2)Oc2ccc(cc2[N+](=O)[O-])[C@H]1O[Si](C)(C)C(C)(C)C ZINC000195302472 KK Annotated Reactive CCCCCCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000195302772 KK Annotated Mild O[C@@H]1CC[C@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@@]%215CC[C@@H](O)C[C@@]45[C@@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000195303752 KK Annotated Bother O[C@H]1CC[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c2c2c4c4c6c6c(c%117)c%12c7c%14c%11c%12c%15c%18c%14c%20c%21c%15c2c2c4c6c7c%11c2c%15c%14%12)=C2C[C@@]4(CC[C@@H](O)C[C@]94C(=C%17C%19)[C@@H]%10[C@@H]%16%13)[C@@H]([C@H]85)[C@]23C1 ZINC000195303769 KK Annotated Bother O[C@@H]1CC[C@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CC[C@@H](O)C[C@@]45[C@@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000195303787 KK Annotated Bother O[C@H]1CC[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c2c2c4c4c6c6c(c%117)c%12c7c%14c%11c%12c%15c%18c%14c%20c%21c%15c2c2c4c6c7c%11c2c%15c%14%12)=C2C[C@@]4(CC[C@@H](O)C[C@]94C(=C%17C%19)[C@@H]%10[C@@H]%16%13)[C@@H]([C@H]85)[C@]23C1 ZINC000195303810 KK Annotated Bother COc1ccc2c3cc[n+]4nc(/C=C/[Si](C(C)C)(C(C)C)C(C)C)c(/C=C/[Si](C(C)C)(C(C)C)C(C)C)cc4c3n(C)c2c1 ZINC000195305565 KK Annotated Bother C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000195306595 KK Annotated Clean C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000195306603 KK Annotated Clean C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 ZINC000195306608 KK Annotated Clean CC(C)(C)[Si](C)(C)OCC[C@@]1(CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C=C1NC(=O)NC(=O)c1ccccc1 ZINC000195308162 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCC[C@]1(CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C=C1NC(=O)NC(=O)c1ccccc1 ZINC000195308170 KK Annotated Reactive CC[C@@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000195308329 KK Annotated Mild CC[C@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000195308340 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)C2C(=NOC)C1[C@@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000195310244 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)C2C(=NO)C1[C@@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000195310993 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=NO)C2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000195311025 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3C(=NOC)C2[C@@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000195311337 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000195311731 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)C3C(=NO)C2[C@@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000195312364 KK Annotated Mild Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)C2C(=NO)C1[C@@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000195312926 KK Annotated Mild CCC1=C(C)C2=Cc3c(C)c(CCCCCCCCCCCO[P@](=O)(O)OCC[N+](C)(C)C)c(C)n3[B-](F)(F)[N+]2=C1C ZINC000195313489 KK Annotated Bother CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CCC(=O)NCCc3c[nH]cn3)c1C)/C=c1/[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCc1c[nH]cn1)/C=C1/N=C(C2)C(C)=C1CC ZINC000195313641 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CCC(=O)NCCc3c[nH]cn3)c1C)/C=c1\[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCc1c[nH]cn1)/C=C1/N=C(C2)C(C)=C1CC ZINC000195313659 KK Annotated Anodyne CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000195314339 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCCCC)cc2)N[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000195314355 KK Annotated Mild C[C@@H]1C/C=C\CCCCCCCCOC(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000195317404 KK Annotated Anodyne C[C@H]1C/C=C\CCCCCCCCOC(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000195317418 KK Annotated Anodyne C[N+](C)(CCCCCCCCCC[N+](C)(C)[B-](Br)(Br)C#N)[B-](Br)(Br)C#N ZINC000195319131 KK Annotated Bother CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3C(=NO)C2[C@@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000195319406 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@@H](c3ccc(C(C)C)cc3)C3C(=NO)C2[C@@H](c2ccc(C(C)C)cc2)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000195320727 KK Annotated Mild COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)C2C(=NO)C1[C@@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000195320788 KK Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)C3C(=NO)C2[C@@H](c2cccc(OC)c2)N[C@H]3c2cccc(OC)c2)c1 ZINC000195320807 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)C3C(=NO)C2[C@@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000195320828 KK Annotated Mild CSc1ccc([C@H]2N[C@@H](c3ccc(SC)cc3)C3C(=NO)C2[C@@H](c2ccc(SC)cc2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000195321915 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CS[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000195322517 KK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CS[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000195322524 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000195322778 KK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000195322789 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccc5c(c4)OCO5)C2)[C@@]13C(=O)O ZINC000195323274 KK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@@H]2C[C@H](C)N(Cc4ccc5c(c4)OCO5)C2)[C@@]13C(=O)O ZINC000195323283 KK Annotated Mild O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC2=N3)cc1 ZINC000195323309 KK Annotated Anodyne O=C(O)c1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccccc3)C3=N/C(=C(\c4ccc(C(=O)O)cc4)C4=N/C(=C(\c5ccc(C(=O)O)cc5)[C@H]5C=C[C@H]2N5)C=C4)C=C3)cc1 ZINC000195323326 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@H]2N3)cc1 ZINC000195323334 KK Annotated Anodyne CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@H]67)cc45)=C(O)C3=O)c[nH]c12 ZINC000195324935 KK Annotated Mild CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@H]6SC[C@@H]7NC(=O)N[C@@H]76)cc45)=C(O)C3=O)c[nH]c12 ZINC000195324948 KK Annotated Mild CCC1=C(C)/C(=C(\c2ccc(NC(=O)CNCCCNCCCCNCCCN)cc2)c2c(C)c(CC)c(C)n2B(F)F)N=C1C ZINC000195325690 KK Annotated Anodyne C[Si](C)(C)C1=C(Cl)C[C@H](Cc2ccccc2)O[C@@H]1CCCCCCCCC[C@H]1C=C(Cl)CCO1 ZINC000195326818 KK Annotated Anodyne C[Si](C)(C)C1=C(Cl)C[C@H](Cc2ccccc2)O[C@@H]1CCCCCCCCC[C@@H]1C=C(Cl)CCO1 ZINC000195326825 KK Annotated Anodyne Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195327278 KK Annotated Anodyne Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195327291 KK Annotated Anodyne COCCOCCOCCN1C[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@H]%16[C@H]56)[C@H]%138)[C@]73C1 ZINC000195329411 KK Annotated Bother COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@H]9[C@@]73C1)[C@@H]4[C@H]5%17)[C@@H]68 ZINC000195329431 KK Annotated Bother CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195330427 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000195332034 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000195332045 KK Annotated Mild CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CCC(=O)NCCOCCOCCN)c1C)/C=c1/[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCOCCOCCN)/C=C1/N=C(C2)C(C)=C1CC ZINC000195332899 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C/c1[nH]c(c(CCC(=O)NCCOCCOCCN)c1C)/C=c1\[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCOCCOCCN)/C=C1/N=C(C2)C(C)=C1CC ZINC000195332913 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000195337151 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000195337161 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C/CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C/CCCCN6[C@@H]43)C5)nccc12 ZINC000195337171 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000195337514 KK Annotated Clean CC1(C)C[C@H]2C[C@](C)(CN2CCC(=O)Nc2ccc3c(c2)C(=O)[C@@H]2C=CC(NC(=O)CCN4C[C@@]5(C)C[C@H]4CC(C)(C)C5)=C[C@H]2C3=O)C1 ZINC000195337526 KK Annotated Clean CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2Oc3nc(=O)c4c(n3[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)CCCC4 ZINC000195340071 KK Annotated Reactive C/C1=C/CC/C(C)=C/CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C1 ZINC000195343077 KK Annotated Reactive C/C1=C/CC/C(C)=C/CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C1 ZINC000195343086 KK Annotated Reactive C/C1=C/CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C\CC1 ZINC000195343094 KK Annotated Reactive C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000195344825 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000195344833 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@H](c4ccc(Br)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000195344839 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000195344848 KK Annotated Anodyne C=C1[C@@H](O[Si](CC)(CC)CC)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000195347964 KK Annotated Reactive CC1=C([C@@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCCC4(C)C ZINC000195348050 KK Annotated Clean CC1=C([C@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCCC4(C)C ZINC000195348063 KK Annotated Clean Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@]23CC[C@]2(C3=O)[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195348877 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@]23CC[C@]2(C3=O)[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195348884 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@]23CC[C@]2(C3=O)[C@@H](c3ccc(Cl)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195348893 KK Annotated Anodyne C=CC1=C(CC)[C@@H]2/C=c3\[nH]/c(c(CC)c3CC)=C/C3=N/C(=C/c4[nH]c(c(CC)c4CC)/C=C\1N2)C(=O)C3(CC)CC ZINC000195349366 KK Annotated Mild C=CC1=C(CC)[C@@H]2/C=c3\[nH]/c(c(CC)c3CC)=C/C3=N/C(=C/c4[nH]c(c(CC)c4CC)/C=C/1N2)C(=O)C3(CC)CC ZINC000195349373 KK Annotated Mild C=CC1=C(CC)[C@@H]2/C=c3\[nH]/c(c(CC)c3CC)=C/C3=N/C(=C\c4[nH]c(c(CC)c4CC)/C=C\1N2)C(=O)C3(CC)CC ZINC000195349381 KK Annotated Mild C=CC1=C(CC)[C@@H]2/C=c3\[nH]/c(c(CC)c3CC)=C/C3=N/C(=C\c4[nH]c(c(CC)c4CC)/C=C/1N2)C(=O)C3(CC)CC ZINC000195349386 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195350449 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195350455 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195350461 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195350468 KK Annotated Reactive CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000195351227 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195351944 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195351949 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195351957 KK Annotated Reactive CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 ZINC000195351961 KK Annotated Reactive C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000195352733 KK Annotated Reactive COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000195353313 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000195353321 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000195353328 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000195353332 KK Annotated Anodyne N#C[C@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCCC1 ZINC000195354745 KK Annotated Mild N#C[C@]12C(=O)N3C(=N[C@@H](c4ccccc4)N[C@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCCC1 ZINC000195354754 KK Annotated Mild CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195354932 KK Annotated Anodyne Fc1c(F)c(F)c([P+](Cc2ccc(Cc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)(c2ccccc2)c2ccccc2)c(F)c1F ZINC000195355164 KK Annotated Reactive C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C ZINC000195355646 KK Annotated Reactive C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C ZINC000195355650 KK Annotated Reactive C=CC[C@@H]1C=C[C@@H](O/N=C(\C)CCC(=O)OC[C@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000195355726 KK Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(/C)CCC(=O)OC[C@H]2O[C@@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000195355736 KK Annotated Mild O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000195355739 KK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)[C@H]1[C@@H]2C(=O)N(c3ccc(Cc4ccc(N5C(=O)[C@H]6ON(c7ccccc7)[C@@H](C(=O)c7ccc(Cl)cc7Cl)[C@H]6C5=O)cc4)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000195355789 KK Annotated Anodyne Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccc(N(C)C)cc3)[C@H]2S[C@H]1/C=C/c1ccccc1 ZINC000195356453 KK Annotated Clean Cc1csc(NC(=O)c2ccccc2)c1C(=O)NN1C2=Nc3ccccc3N[C@@H](c3ccc(N(C)C)cc3)[C@@H]2S[C@H]1/C=C/c1ccccc1 ZINC000195356462 KK Annotated Clean O=C1[C@@]2(CC[C@@]13[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000195357460 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@H](C)[C@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000195358887 KK Annotated Anodyne Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195359614 KK Annotated Anodyne Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195359622 KK Annotated Anodyne C=C1[C@@H](O[Si](CC)(CC)CC)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](CC)(CC)CC)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000195360000 KK Annotated Reactive Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195362089 KK Annotated Anodyne Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195362099 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C/CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Br)cc7)cccc56)[C@@H]1CC4)[C@H]23 ZINC000195362139 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@@H](CCC[C@H]3O[C@H](C(=O)OC(C)C)CC[C@H]3C)O2)c(C)c1 ZINC000195362176 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@@H](CCC[C@H]3O[C@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000195362185 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@@H](CCC[C@H]3O[C@@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000195362193 KK Annotated Mild CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195363575 KK Annotated Anodyne CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195363586 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000195364131 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000195364141 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@H](C)[C@@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000195364937 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](C#CCCCCO)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000195366180 KK Annotated Mild COCO[C@@H]([C@H](CN=[N+]=[N-])c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C ZINC000195366624 KK Annotated Reactive CC1=C[C@@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]21 ZINC000195367676 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@@H]2[C@@H](OC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000195369247 KK Annotated Mild CCCCCCCCC[C@H]1C=C(CC[C@@H]2[C@@H](OC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000195369257 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@H]2[C@@H](OC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000195369264 KK Annotated Mild CCCCCCCCC[C@H]1C=C(CC[C@H]2[C@@H](OC)O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000195369272 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=CC1=O ZINC000195369383 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C/C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=CC1=O ZINC000195369391 KK Annotated Mild CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195370890 KK Annotated Anodyne CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195370899 KK Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195371358 KK Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000195371367 KK Annotated Anodyne C[N+]1(CCOCCOCCN)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c%26c(c%23c%23c2c2c4c4c(c5c7%11)c%12c5c%14c(c%15%19)c7c%20c(c%22%23)c2c7c45)[C@@]3(C1)C=6[C@@H]%26[C@@H]8c1c-%25c(c-%17c(c1-9)[C@H]%16[C@H]%10%13)[C@H]%24[C@H]%18%21 ZINC000195371433 KK Annotated Bother C[N+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@@]%223C1)[C@H]4[C@@H]7c1c-%24c(c-%16c(c1-8)[C@H]%15[C@H]9%12)[C@H]%23[C@H]%17%20 ZINC000195371453 KK Annotated Bother COC(=O)CCC[C@H]1CC2(C[C@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C)OCCO2 ZINC000195371543 KK Annotated Reactive COc1ccc(C(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 ZINC000195371916 KK Annotated Reactive CCCCOC(=O)/C=C/C1=C(C)C2=Cc3c(C)c(/C=C/C(=O)OCCCC)c(C)n3[B-](F)(F)[N+]2=C1C ZINC000195372372 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]2[C@H](CC=C(C)C)C(C)(C)[C@@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000195374211 KK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2[C@H](CC=C(C)C)C(C)(C)[C@@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000195374220 KK Annotated Mild Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195374983 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195374988 KK Annotated Anodyne COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@H]%16[C@H]56)[C@H]%138)[C@]73C[N+]1(C)C ZINC000195375583 KK Annotated Bother COCCOCCOC[C@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@H]%16[C@H]56)[C@H]%138)[C@]73C[N+]1(C)C ZINC000195375597 KK Annotated Bother COCCOCCOC[C@@H]1[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@H]%16[C@H]56)[C@H]%138)[C@]73C[N+]1(C)C ZINC000195375608 KK Annotated Bother COCCOCCOC[C@H]1[C@@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@H]%16[C@H]56)[C@H]%138)[C@]73C[N+]1(C)C ZINC000195375621 KK Annotated Bother CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000195376243 KK Annotated Mild CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000195376254 KK Annotated Mild CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195376281 KK Annotated Reactive CSc1ccc(NC(=O)N[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)cc1 ZINC000195377243 KK Annotated Reactive COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195377947 KK Annotated Anodyne COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195377954 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000195378207 KK Annotated Anodyne Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(F)cc2)C[C@H]3c2ccc(F)cc2)cc1 ZINC000195379426 KK Annotated Mild Fc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(F)cc2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000195379437 KK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=NOCc4ccccc4)[C@@H]2[C@H](c2ccc(Cl)cc2)C[C@H]3c2ccc(Cl)cc2)cc1 ZINC000195379444 KK Annotated Mild Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000195379455 KK Annotated Mild CCN1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 ZINC000195381673 KK Annotated Anodyne COCCOCCOCC[N+]1(C)C[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@H]42)[C@H]%16[C@H]56)[C@H]%138)[C@]73C1 ZINC000195381812 KK Annotated Bother COCCOCCOCC[N+]1(C)C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@H]9[C@@]73C1)[C@@H]4[C@H]5%17)[C@@H]68 ZINC000195381825 KK Annotated Bother C=CC1=C(C)/C2=C/c3[nH]c(c(C)c3C=C)/C=c3/[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C\C3=N[C@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000195382893 KK Annotated Anodyne C=CC1=C(C)/C2=C\c3[nH]c(c(C)c3C=C)/C=c3/[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C\C3=N[C@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000195382901 KK Annotated Anodyne C=CC1=C(C)/C2=C\c3[nH]c(c(C)c3C=C)/C=c3\[nH]/c(c(CCC(=O)NCCCCN(CCCN)CCCCN)c3C)=C\C3=N[C@H](CC1=N2)C(C)=C3CCC(=O)NCCCCN(CCCN)CCCCN ZINC000195382913 KK Annotated Anodyne CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195383393 KK Annotated Anodyne CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195383401 KK Annotated Anodyne COc1cc(C(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2I)cc(OC)c1OC ZINC000195384879 KK Annotated Reactive COc1cc(C(=O)OC[C@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2I)cc(OC)c1OC ZINC000195384886 KK Annotated Reactive C/C(=C\[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195384971 KK Annotated Reactive C/C(=C/[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195384975 KK Annotated Reactive CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195385484 KK Annotated Anodyne CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195385493 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=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 ZINC000195385588 KK Annotated Mild Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C)cc3)=C3\C=CC2=N3)cc1 ZINC000195385698 KK Annotated Anodyne Cc1ccc(/C2=c3\cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)C3=N/C(=C(\c4ccc(C)cc4)C4=N/C(=C(\c5ccc(C)cc5)[C@H]5C=C[C@H]2N5)C=C4)C=C3)cc1 ZINC000195385710 KK Annotated Anodyne Cc1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C)cc3)=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C)cc3)[C@H]3C=C[C@H]2N3)cc1 ZINC000195385719 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(OCc2c(F)cccc2F)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195388235 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(OCc2c(Cl)cccc2Cl)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195388247 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(OS(=O)(=O)C(F)(F)F)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195389259 KK Annotated Unstable Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccccc3)[C@@]23CC[C@]2(C3=O)[C@@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195389761 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccccc3)[C@@]23CC[C@]2(C3=O)[C@@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195389768 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccccc3)[C@]23CC[C@]2(C3=O)[C@@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195389774 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(N2CCCCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195389827 KK Annotated Anodyne COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1OC/C=C/CCC(=O)NCCCCCCNC(=O)CCCC1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21 ZINC000195389838 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(N2CCOCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195390915 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(N2CCNCC2)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195390924 KK Annotated Anodyne CC(C)(C)[Si](CCc1c(Nn2nnc3ccccc32)nc2ccc(Cl)cc2c1-c1ccccc1Cl)(c1ccccc1)c1ccccc1 ZINC000195390934 KK Annotated Anodyne COc1ccccc1C1=[N+]2C(=C(c3ccc(C#Cc4ccc(C5=[N+]6C(=Cc7c(C)c(S(=O)(=O)O)c(C)n7[B-]6(F)F)C(=O)N5C)cc4)cc3OCC(=O)O)c3ccc(-c4ccccc4OC)n3[B-]2(F)F)C=C1 ZINC000195391247 KK Annotated Mild Cc1ccc(N2C(=O)[C@@H]3[C@@H](CC(c4ccccc4)=C4[C@@H]5C=C[C@H]([C@@H]43)[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]53)C2=O)c(C)c1 ZINC000195391266 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](CC(c4ccccc4)=C4[C@H]5C=C[C@H]([C@@H]43)[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]53)C2=O)c(C)c1 ZINC000195391276 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@H]5C=C[C@H]([C@@H]4[C@@H]3C2=O)[C@H]2C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]52)c(C)c1 ZINC000195391280 KK Annotated Anodyne O=C1OC[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C\CC[C@H]1Cc1ccc(F)cc1 ZINC000195392387 KK Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2Oc3nc4c(c(=O)n3[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)CCCC4 ZINC000195394829 KK Annotated Reactive CC1=CC(C)=C2C=C3C=CC(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc54)=[N+]3[B-](F)(F)[C@@H]12 ZINC000195396022 KK Annotated Anodyne CC1=CC(C)=C2C=C3C=CC(CCC(=O)NCCCCCC(=O)NCCCCNC(=O)OCCCn4c(C(=O)CF)c(-c5ccc(C)cc5)c5c(N)ncnc54)=[N+]3[B-](F)(F)[C@H]12 ZINC000195396029 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000195396275 KK Annotated Anodyne COc1cc(C#Cc2ccc3c(c2)C(C)(C)C(/C=C/C=C2/N(CCCCCC(=O)O)c4ccccc4C2(C)C)=[N+]3C)ccc1C1=C2C(C)=CC(C)=[N+]2[B-](F)(F)n2c(C)cc(C)c21 ZINC000195397380 KK Annotated Mild COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000195398069 KK Annotated Reactive COC[C@@H]1[C@@H](COC)[C@H]2CC[C@H]3[C@@H](OCc4ccc(OC)cc4)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@@H]1C ZINC000195398770 KK Annotated Anodyne COC[C@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(OC)cc5)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000195398777 KK Annotated Anodyne COC[C@H]1[C@H]2CC[C@H]3[C@@H](OCc4ccc(OC)cc4)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC ZINC000195398784 KK Annotated Anodyne OCC12[C@H](c3ccccc3)C3[C@H]4N(Cc5ccccc5)[C@H]1C1[C@@H]2N(Cc2ccccc2)[C@H]3C4(CO)[C@H]1c1ccccc1 ZINC000195398911 KK Annotated Anodyne OCC12[C@H](c3ccccc3)C3[C@H]4N(Cc5ccccc5)[C@H]1C1[C@H]2N(Cc2ccccc2)[C@H]3C4(CO)[C@H]1c1ccccc1 ZINC000195398918 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2c2ccn([Si](C(C)C)(C(C)C)C(C)C)c2)cc1 ZINC000195399083 KK Annotated Anodyne CC(C)(C)[Si](OCC[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000195401449 KK Annotated Reactive O=C(C[C@H]1C/C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1 ZINC000195401584 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000195402957 KK Annotated Anodyne O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl ZINC000195402968 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C/C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000195405416 KK Annotated Anodyne COC(=O)[C@@H]1CC[C@H]2CCC[C@]3(CCC[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2C1=O ZINC000195408955 KK Annotated Reactive COC(=O)[C@H]1CC[C@H]2CCC[C@]3(CCC[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2C1=O ZINC000195408961 KK Annotated Reactive O=S(=O)(O)c1cccc([P+](Cc2ccc(Cc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4cccc(S(=O)(=O)O)c4)cc3)cc2)(c2ccccc2)c2ccccc2)c1 ZINC000195409615 KK Annotated Reactive C=C(C[C@@]1(C(=O)OC)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@](CC=C(C)C)(C1)C2=O)C(=O)OC ZINC000195410040 KK Annotated Mild C=C(C[C@@]1(C(=O)OC)C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)[C@@](CC=C(C)C)(C1)C2=O)C(=O)OC ZINC000195410049 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195410561 KK Annotated Mild COc1ccc(C(OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195411156 KK Annotated Reactive O=C(OC[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000195411708 KK Annotated Anodyne O=C(OC[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000195411717 KK Annotated Anodyne Cc1ccc2nc3ccccc3c([C@@H]3[C@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195413585 KK Annotated Bother Cc1ccc2nc3ccccc3c([C@H]3[C@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195413593 KK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195413599 KK Annotated Bother Cc1ccc2nc3ccccc3c([C@H]3[C@@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000195413606 KK Annotated Bother COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@H]2C1 ZINC000195414193 KK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@H]2C1 ZINC000195414200 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O ZINC000195414621 KK Annotated Reactive c1ccc(CCN2CCN([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000195415389 KK Annotated Anodyne O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000195416291 KK Annotated Anodyne O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c([C@@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000195416300 KK Annotated Anodyne O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000195416309 KK Annotated Anodyne O=C(O)CCC[C@H](/C=C/c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000195416317 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000195416346 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000195416358 KK Annotated Anodyne CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)C[C@](C)(COc1ccc(C#N)cc1)O2 ZINC000195416648 KK Annotated Mild CC1=C(I)C(C)=[N+]2C1=C(c1ccc(I)cc1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000195416750 KK Annotated Anodyne O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c([C@H](/C=C/CCCC(=O)O)c2ccccc2)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000195417781 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000195417789 KK Annotated Anodyne COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2c3[nH]c4ccccc4c3[C@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@H]2C1=O ZINC000195418637 KK Annotated Bother C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1CC(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000195418849 KK Annotated Reactive COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000195419061 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000195419067 KK Annotated Anodyne COC(C[C@H]1CCCC[C@]1(O)/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)Sc1ccccc1)OC ZINC000195419835 KK Annotated Reactive CCCC[C@@](C)(C/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C ZINC000195419964 KK Annotated Reactive CCCC[C@](C)(C/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C ZINC000195419970 KK Annotated Reactive CCCC[C@@](C)(C/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C ZINC000195419975 KK Annotated Reactive CCCC[C@](C)(C/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C ZINC000195419982 KK Annotated Reactive CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000195420164 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000195420168 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000195420175 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000195420949 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000195420954 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000195420959 KK Annotated Anodyne CCOC(=O)[C@@]1(Br)[C@@H](c2ccccc2)NC(=O)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@]1(C)Br ZINC000195421107 KK Annotated Anodyne CCOC(=O)[C@]1(Br)[C@@H](c2ccccc2)NC(=O)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@]1(C)Br ZINC000195421114 KK Annotated Anodyne CCOC(=O)[C@@]1(Br)[C@H](c2ccccc2)NC(=O)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@]1(C)Br ZINC000195421121 KK Annotated Anodyne CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@]1(C)Br ZINC000195421127 KK Annotated Anodyne CC(C)c1cc(C(C)C)c(B(c2ccccc2)c2ccccc2)c(C(C)C)c1B(c1ccccc1)c1ccccc1 ZINC000195423083 KK Annotated Unstable Cc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CC(=O)[C@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@H](c4ccccc4)C[C@H]32)cc1 ZINC000195423406 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H]3C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(Cl)cc4)C[C@@H]3C(=O)C[C@@H]2c2ccccc2)cc1 ZINC000195423413 KK Annotated Anodyne CC1=CC(C)=[N+]2C1=Cc1ccc(/C=C/c3ccc(-c4ccc(I)cc4)s3)n1[B-]2(F)F ZINC000195424149 KK Annotated Anodyne Cc1cc(/N=N/c2ccc(/N=N/c3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2C)ccc1/N=N/c1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1 ZINC000195424153 KK Annotated Clean O=C1[C@H]2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)C[C@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@H]4Cc5c(n(C(=O)c6ccccc6)c6ccccc56)C[C@H]4C3=O)cc2)cc1 ZINC000195424473 KK Annotated Anodyne O=C1[C@H]2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)C[C@@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@H]4Cc5c(n(C(=O)c6ccccc6)c6ccccc56)C[C@H]4C3=O)cc2)cc1 ZINC000195424481 KK Annotated Anodyne O=C1[C@H]2Cc3c(n(C(=O)c4ccccc4)c4ccccc34)C[C@H]2C(=O)N1c1ccc(Nc2ccc(N3C(=O)[C@@H]4Cc5c(n(C(=O)c6ccccc6)c6ccccc56)C[C@H]4C3=O)cc2)cc1 ZINC000195424486 KK Annotated Anodyne CSc1nc(Br)nc2ncn([C@@H]3C[C@@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)c12 ZINC000195424630 KK Annotated Anodyne CSc1nc(Br)nc2ncn([C@@H]3C[C@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)c12 ZINC000195424642 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000195425166 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000195425177 KK Annotated Anodyne O=[P@@](CCOc1ccccc1OCC[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000195425178 KK Annotated Reactive O=[P@](CCOc1ccccc1OCC[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000195425188 KK Annotated Reactive O=[P@@](CCOc1ccccc1OCC[P@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000195425195 KK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3[C@@H](ON([C@@H](C(N)=O)c4ccccc4)[C@H]3c3cc4ccccc4c4ccccc34)C2=O)cc1 ZINC000195425284 KK Annotated Bother COc1ccc(N2C(=O)[C@H]3ON([C@@H](C(N)=O)c4ccccc4)[C@@H](c4cc5ccccc5c5ccccc45)[C@@H]3C2=O)cc1 ZINC000195425290 KK Annotated Bother COc1cc(/C=C2\CC[C@@H](C)[C@@H]3C2=NN(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000195425431 KK Annotated Anodyne COc1cc(/C=C2\CC[C@H](C)[C@@H]3C2=NN(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000195425435 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C2/c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000195425883 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C2/c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000195425890 KK Annotated Mild CCN(CC)c1ccc(C([P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000195426237 KK Annotated Anodyne NC(=O)[C@H](c1ccccc1)N1O[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000195428761 KK Annotated Bother NC(=O)[C@@H](c1ccccc1)N1O[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000195428769 KK Annotated Bother CC(C)(C)[Si](C)(C)OCc1cccc(OCCOc2cccc(CO[Si](C)(C)C(C)(C)C)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000195429661 KK Annotated Reactive CCOC(=O)CN(Cc1cc(OC)cc(N(C)C)c1OC)C(=O)[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C ZINC000195430056 KK Annotated Reactive CCOC(=O)CN(Cc1cc(OC)cc(N(C)C)c1OC)C(=O)[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C ZINC000195430063 KK Annotated Reactive CC1=CC(C)=[N+]2C1=Cc1c(C)c(CCCCCCCCCCCO[P@](=O)(O)OCC[N+](C)(C)C)c(C)n1[B-]2(F)F ZINC000195430073 KK Annotated Bother Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4c(O)ccc5cc(S(=O)(=O)O)cc(S(=O)(=O)O)c45)cc3)cc2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3)c(O)c12 ZINC000195431928 KK Annotated Clean CC(C)(C)[Si](OC[C@H]1C[C@H](N=[N+]=[N-])[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)S1)(c1ccccc1)c1ccccc1 ZINC000195432451 KK Annotated Reactive COc1cc2c(c3oc4cccc(F)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195434579 KK Annotated Bother COc1cc2c(c3oc4cccc(F)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195434584 KK Annotated Bother COc1cc2c(c3oc4cccc(F)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195434590 KK Annotated Bother COc1cc2c(c3oc4ccc(Br)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195434600 KK Annotated Bother COc1cc2c(c3oc4ccc(Br)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195434606 KK Annotated Bother COc1cc2c(c3oc4ccc(Br)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195434611 KK Annotated Bother O=C1Oc2ccccc2C(=O)[C@@H]1[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000195434840 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000195434846 KK Annotated Anodyne CC[C@H]1[C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000195434871 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000195434886 KK Annotated Reactive Cc1noc2c1N=C(c1cccs1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@H]1c2onc(C)c2N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000195435352 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000195435509 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000195435518 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000195435524 KK Annotated Anodyne COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195435604 KK Annotated Reactive COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195435609 KK Annotated Reactive COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195435614 KK Annotated Reactive CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000195435626 KK Annotated Bother CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000195435636 KK Annotated Bother C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000195435941 KK Annotated Reactive COc1cc2c(c3oc4cc(C#N)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436684 KK Annotated Mild COc1cc2c(c3oc4cc(C#N)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436692 KK Annotated Mild COc1cc2c(c3oc4cc(C#N)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436699 KK Annotated Mild COc1cc2c(c3oc4ccc(C#N)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436707 KK Annotated Mild COc1cc2c(c3oc4ccc(C#N)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436715 KK Annotated Mild COc1cc2c(c3oc4ccc(C#N)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436723 KK Annotated Mild COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436794 KK Annotated Bother COc1cc2c(c3oc4ccccc4/c(=N\O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436809 KK Annotated Bother COc1cc2c(c3oc4ccccc4/c(=N\O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436814 KK Annotated Bother COc1cc2c(c3oc4ccccc4/c(=N\O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195436821 KK Annotated Bother Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@H]1c2onc(C)c2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000195439626 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O ZINC000195439673 KK Annotated Reactive COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000195440781 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000195440790 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000195440802 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@H](C(c3ccccc3)[C@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000195440805 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2C(c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000195440818 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2C(c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)cc1 ZINC000195440822 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2C(c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000195440830 KK Annotated Anodyne C[C@@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000195444521 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000195444526 KK Annotated Anodyne C[C@@H]1C[C@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000195444533 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2[C@@H]1c1ccccc1 ZINC000195444539 KK Annotated Anodyne COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195445214 KK Annotated Bother COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195445219 KK Annotated Bother COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195445228 KK Annotated Bother COc1cc2c(c3oc4c(F)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195445238 KK Annotated Bother COC(=O)C/C=C\[C@@H](C)[C@H](/C=N\OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000195445737 KK Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@H](/C=N\OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000195445742 KK Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@H](/C=N/OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000195445749 KK Annotated Mild COC(=O)C/C=C/[C@@H](C)[C@H](/C=N/OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000195445754 KK Annotated Mild COc1ccc(CN(CCN(C)CCCCCC/N=C(\O)CCC2=C3C(C)=C[C@H](C)N3[B-](F)(F)n3c(C)cc(C)c32)c2ccccn2)cc1 ZINC000195446158 KK Annotated Mild CN1CCN(CCCN2CCC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447432 KK Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447797 KK Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195447801 KK Annotated Anodyne O=C(N[C@H]1c2ccccc2OCC/C=C\COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000195447807 KK Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@H](COC(=O)CCCC(=O)OC[C@@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000195448103 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](CC(c4ccccc4)=C4[C@@H]5C=C[C@H]([C@@H]43)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]53)C2=O)cc1 ZINC000195448342 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@@H]3[C@@H](CC(c4ccccc4)=C4[C@H]5C=C[C@H]([C@@H]43)[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]53)C2=O)cc1 ZINC000195448352 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H]3CC(c4ccccc4)=C4[C@H]5C=C[C@H]([C@@H]4[C@@H]3C2=O)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]52)cc1 ZINC000195448360 KK Annotated Anodyne O=C(N[C@H]1c2ccccc2C/C=C\COc2cccc3c2[C@@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000195448470 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448900 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448906 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448915 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000195448922 KK Annotated Anodyne Cc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000195450305 KK Annotated Anodyne Cc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000195450314 KK Annotated Anodyne Cc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000195450322 KK Annotated Anodyne COc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000195450328 KK Annotated Anodyne COc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000195450336 KK Annotated Anodyne COc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000195450344 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@H]2C(c1ccc(Cl)cc1)[C@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000195450352 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@H]1c2onc(C)c2N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000195450364 KK Annotated Anodyne O=C(N[C@H]1c2ccccc2C/C=C\COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000195451367 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O ZINC000195452282 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O ZINC000195452288 KK Annotated Anodyne Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\NC[C@@H]1CCCN3CCCC[C@@H]13)/C(=C/NC[C@@H]1CCCN3CCCC[C@@H]13)C(=O)C(O)=C2C(C)C ZINC000195452938 KK Annotated Mild Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\NC[C@H]1CCCN3CCCC[C@@H]13)/C(=C/NC[C@@H]1CCCN3CCCC[C@@H]13)C(=O)C(O)=C2C(C)C ZINC000195452942 KK Annotated Mild COc1cc(/C=C2\CCCN3C[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ON=C23)ccc1-n1cnc(C)c1 ZINC000195452985 KK Annotated Reactive COc1cc(/C=C2\CCCN3C[C@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ON=C23)ccc1-n1cnc(C)c1 ZINC000195452991 KK Annotated Reactive COC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c1ccccc1I)OC ZINC000195453472 KK Annotated Reactive CCOC(=O)[C@@]1(C#N)[C@@H](c2ccccc2)C[C@@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000195454154 KK Annotated Mild CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)C[C@@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000195454163 KK Annotated Mild CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000195454168 KK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc([N+](=O)[O-])cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195454194 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc([N+](=O)[O-])cc4c2[C@H]2CC[C@H](C(C)(C)C)C[C@H]23)cc1 ZINC000195454199 KK Annotated Bother COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)(C)C)CC[C@@H]4c4c([nH]c5ccc([N+](=O)[O-])cc45)[C@@H]3C2=O)cc1 ZINC000195454207 KK Annotated Bother COC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)Nc1ccccc1I)OC ZINC000195454443 KK Annotated Reactive O=C(Nc1ccc(Sc2ccc(/N=N/c3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(/N=N/c2c(O)ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc23)cc1 ZINC000195454757 KK Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195455964 KK Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195455974 KK Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195455981 KK Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000195455986 KK Annotated Clean COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(Br)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195456567 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(Br)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195456574 KK Annotated Anodyne NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C(=O)NC2CCN(C/C4=C\CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000195458098 KK Annotated Anodyne NC[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C(=O)NC2CCN(C/C4=C\CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000195458108 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2c3c(cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]1c1cc(O)cc(O)c1)O[C@H](c1ccc(O)cc1)[C@H]3c1cc2c(cc1O)O[C@@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 ZINC000195459052 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2c3c(cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]1c1cc(O)cc(O)c1)O[C@H](c1ccc(O)cc1)[C@H]3c1cc2c(cc1O)O[C@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 ZINC000195459057 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2c3c(cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]1c1cc(O)cc(O)c1)O[C@H](c1ccc(O)cc1)[C@@H]3c1cc2c(cc1O)O[C@@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 ZINC000195459062 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2c3c(cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]1c1cc(O)cc(O)c1)O[C@H](c1ccc(O)cc1)[C@@H]3c1cc2c(cc1O)O[C@H](c1ccc(O)cc1)[C@H]2c1cc(O)cc(O)c1 ZINC000195459067 KK Annotated Anodyne CN1CCc2cc3c(c4c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]1c2cc(c(O)cc2CCN1C)O4)OCO3 ZINC000195459515 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195459992 KK Annotated Anodyne CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195460546 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195460552 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195460557 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@H]2O[C@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195460563 KK Annotated Reactive COc1ccc(CO[C@@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 ZINC000195461234 KK Annotated Reactive COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 ZINC000195461241 KK Annotated Reactive COc1ccc(CO[C@@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 ZINC000195461246 KK Annotated Reactive COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 ZINC000195461252 KK Annotated Reactive CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195461935 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195461941 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195461947 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195461953 KK Annotated Mild COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000195463304 KK Annotated Mild COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000195463310 KK Annotated Mild CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195464129 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195464135 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195464137 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000195464140 KK Annotated Reactive O=C(OC[C@@H]1O[C@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000195464411 KK Annotated Anodyne O=C(OC[C@H]1O[C@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000195464414 KK Annotated Anodyne CC[C@@H]1C[C@@H]2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)[C@]6(C(=O)OC)C[C@H]7C[C@@H](CC)[C@H]6N(CC8)C7)c(O)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000195464662 KK Annotated Anodyne CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)[C@]6(C(=O)OC)C[C@H]7C[C@@H](CC)[C@H]6N(CC8)C7)c(O)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000195464668 KK Annotated Anodyne CC[C@@H]1C[C@H]2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)[C@]6(C(=O)OC)C[C@H]7C[C@@H](CC)[C@H]6N(CC8)C7)c(O)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000195464674 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(-c6c(OC)ccc7c8c([nH]c67)[C@]6(C(=O)OC)C[C@H]7C[C@@H](CC)[C@H]6N(CC8)C7)c(O)ccc45)[C@](C(=O)OC)(C2)[C@@H]13 ZINC000195464677 KK Annotated Anodyne CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C[C@@]2(C)C=O)cc1)(C(C)C)C(C)C ZINC000195465083 KK Annotated Reactive CC(C)[Si](Oc1ccc(C[C@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C[C@@]2(C)C=O)cc1)(C(C)C)C(C)C ZINC000195465088 KK Annotated Reactive CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](CCc3ccccc3)C[C@@]2(C)C=O)cc1)(C(C)C)C(C)C ZINC000195465092 KK Annotated Reactive CC(C)[Si](Oc1ccc(C[C@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](CCc3ccccc3)C[C@@]2(C)C=O)cc1)(C(C)C)C(C)C ZINC000195465094 KK Annotated Reactive CC(=N/N=C/c1ccccn1)/C(C)=N/N=C(C)/C(C)=N\N=C(C)\C(C)=N\N=C(C)\C(C)=N/N=C/c1ccccn1 ZINC000195465551 KK Annotated Mild CC1(C)O[C@H]2[C@H](c3c[nH]c4c(N)ncnc34)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000195467245 KK Annotated Anodyne CC1(C)O[C@H]2[C@H](c3c[nH]c4c(N)ncnc34)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000195467251 KK Annotated Anodyne CC1(C)O[C@H]2[C@H](c3c[nH]c4c(N)ncnc34)O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000195467257 KK Annotated Anodyne CC1(C)O[C@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](c3c[nH]c4c(N)ncnc34)[C@@H]2O1 ZINC000195467262 KK Annotated Anodyne CC1=C[C@H]2[C@@]3(C)[C@@](C)(C(C)=C[P@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000195470379 KK Annotated Anodyne CC1=C[C@H]2[C@@]3(C)[C@@](C)(C(C)=C[P@@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000195470384 KK Annotated Anodyne CC1=C[C@H]2[C@@]3(C)[C@](C)(C(C)=C[P@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000195470389 KK Annotated Anodyne CC1=C[C@H]2[C@@]3(C)[C@](C)(C(C)=C[P@@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000195470394 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195471220 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195471224 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195471228 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](Oc4nc(=O)ccn43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195471235 KK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON([C@@H](C(N)=O)c4ccccc4)[C@H]3c3c4ccccc4c(Cl)c4ccccc34)C2=O)c1C ZINC000195471489 KK Annotated Bother Cc1cccc(N2C(=O)[C@H]3ON([C@@H](C(N)=O)c4ccccc4)[C@@H](c4c5ccccc5c(Cl)c5ccccc45)[C@@H]3C2=O)c1C ZINC000195471493 KK Annotated Bother CC[C@H](C)[C@@]12Oc3cc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)ccc3O[N+]1([O-])C(OC(C)=O)=C([C@H](C)CC)N(OC(C)=O)C2=O ZINC000195471570 KK Annotated Mild CC[C@H](C)C1=C(OC(C)=O)[N+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1OC(C)=O ZINC000195471574 KK Annotated Mild O/N=C/[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000195473506 KK Annotated Mild O/N=C/[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000195473513 KK Annotated Mild O/N=C/[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000195473516 KK Annotated Mild CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n([C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(=O)n([C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)c1=O)C2 ZINC000195474018 KK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n([C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(=O)n([C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c1=O)C2 ZINC000195474024 KK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n([C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(=O)n([C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)c1=O)C2 ZINC000195474028 KK Annotated Anodyne CC1(C)[C@H]2CC[C@]1(C)[C@H](n1c(=O)n([C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(=O)n([C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c1=O)C2 ZINC000195474031 KK Annotated Anodyne COC(=O)c1c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c(C#C[Si](C)(C)C)c1C(=O)OC ZINC000195474353 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000195475087 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000195475092 KK Annotated Mild c1cc(CN[C@H]2[C@H](c3c[nH]c4ccccc34)[C@@H]3CC[C@@H]2C3)cc(CN[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000195475529 KK Annotated Anodyne c1cc(CN[C@H]2[C@H](c3c[nH]c4ccccc34)[C@H]3CC[C@@H]2C3)cc(CN[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000195475534 KK Annotated Anodyne c1cc(CN[C@@H]2[C@H]3CC[C@H](C3)[C@H]2c2c[nH]c3ccccc23)cc(CN[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000195475538 KK Annotated Anodyne c1cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2c2c[nH]c3ccccc23)cc(CN[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000195475543 KK Annotated Anodyne COc1ccc([C@H]2c3cc(OC)c(OC)cc3[C@H](Cc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000195475697 KK Annotated Bother CO[C@@H]1O[C@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000195476028 KK Annotated Reactive CO[C@H]1O[C@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000195476031 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195476939 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195476944 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@H]2O[C@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195476951 KK Annotated Reactive COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195477229 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195477233 KK Annotated Mild COc1ccc(C(OC[C@H]2O[C@H](n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000195477239 KK Annotated Mild CC(C)[Si](OC/C(=C/COC(C)(C)C)[C@H]1CC=C(C(=O)c2ccccc2N2CN(C)C(=O)N(C)C2)C1)(C(C)C)C(C)C ZINC000195477962 KK Annotated Reactive O=C(Nc1ccc(Sc2ccc(/N=N/c3c(O)c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1)c1ccc(/N=N/c2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1 ZINC000195478071 KK Annotated Clean CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195478424 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195478427 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195478430 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 ZINC000195478435 KK Annotated Reactive NC(=O)[C@H](c1ccccc1)N1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000195478577 KK Annotated Bother NC(=O)[C@@H](c1ccccc1)N1O[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000195478582 KK Annotated Bother COc1ccc2[nH]cc([C@@H]3[C@H]4CC[C@H](C4)[C@H]3NCc3cccc(CN[C@H]4[C@H]5CC[C@H](C5)[C@@H]4c4c[nH]c5ccc(OC)cc45)c3)c2c1 ZINC000195478923 KK Annotated Anodyne COc1ccc2[nH]cc([C@@H]3[C@H]4CC[C@H](C4)[C@H]3NCc3cccc(CN[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4c4c[nH]c5ccc(OC)cc45)c3)c2c1 ZINC000195478926 KK Annotated Anodyne COc1ccc2[nH]cc([C@@H]3[C@H]4CC[C@H](C4)[C@H]3NCc3cccc(CN[C@H]4[C@@H]5CC[C@H](C5)[C@@H]4c4c[nH]c5ccc(OC)cc45)c3)c2c1 ZINC000195478931 KK Annotated Anodyne COc1ccc2[nH]cc([C@@H]3[C@H]4CC[C@H](C4)[C@H]3NCc3cccc(CN[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4c4c[nH]c5ccc(OC)cc45)c3)c2c1 ZINC000195478937 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000195479117 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(OCc5ccccc5)cc4c2[C@H]2CC[C@H](c4ccccc4)C[C@H]23)cc1 ZINC000195479121 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195479128 KK Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@]1(CCc2ccccc2OS(=O)(=O)C(F)(F)F)CCCC=C1COCc1ccccc1 ZINC000195479657 KK Annotated Unstable CC(C)(C)[Si](C)(C)O[C@]1(CCc2ccccc2OS(=O)(=O)C(F)(F)F)CCCC=C1COCc1ccccc1 ZINC000195479662 KK Annotated Unstable C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I ZINC000195479940 KK Annotated Reactive C[C@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I ZINC000195479945 KK Annotated Reactive C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195480171 KK Annotated Mild C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195480175 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000195480765 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@H]3S[C@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000195480770 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000195480776 KK Annotated Bother COc1ccc(C(=O)[C@H](C[C@@H]2C(=O)CC(C)(C)[C@@H](C(=O)C(=O)Nc3c(C)cccc3C)C2=O)c2ccc(OC)cc2)cc1 ZINC000195481112 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C[C@H]2C(=O)CC(C)(C)[C@@H](C(=O)C(=O)Nc3c(C)cccc3C)C2=O)c2ccc(OC)cc2)cc1 ZINC000195481117 KK Annotated Anodyne COC[C@@H]1[C@@H](COC)[C@H]2CC[C@H]3[C@@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@@H]1C ZINC000195482280 KK Annotated Anodyne COC[C@H]1[C@@H](C)C2=C3[C@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000195482286 KK Annotated Anodyne COC[C@H]1[C@H]2CC[C@H]3[C@@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC ZINC000195482292 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@H]4CC[C@H](C(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000195482631 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(OCc5ccccc5)cc4c2[C@H]2CC[C@H](C(C)C)C[C@H]23)cc1 ZINC000195482636 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195482639 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C(C)C)CC[C@@H]4c4c([nH]c5ccc(OCc6ccccc6)cc45)[C@@H]3C2=O)cc1 ZINC000195482644 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000195482776 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000195482779 KK Annotated Anodyne CCOC(=O)C1=C(C)N([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000195483165 KK Annotated Anodyne CCOC(=O)C1=C(C)N([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000195483169 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000195484930 KK Annotated Anodyne O=C1CC([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000195484935 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000195484939 KK Annotated Anodyne Oc1ccccc1/C=N/N1C(=S)N(C23CC4CC(CC(C4)C2)C3)C(=N\c2ccccc2)/C1=N\c1ccccc1 ZINC000195485403 KK Annotated Mild CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000195486079 KK Annotated Clean CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000195486082 KK Annotated Clean CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000195486087 KK Annotated Clean CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@@H]2C1 ZINC000195486090 KK Annotated Clean CC(C)(C)OC(=O)[C@H]1C(=O)NC(=O)C[C@@H]1C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195486424 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195486428 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C(=O)NC(=O)C[C@H]1C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195486431 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@H]1C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195486435 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@H](Cc1ccccc1)C[C@H](C(C)C)C2 ZINC000195486516 KK Annotated Reactive CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@H](Cc1ccccc1)C[C@@H](C(C)C)C2 ZINC000195486518 KK Annotated Reactive CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@@H](Cc1ccccc1)C[C@H](C(C)C)C2 ZINC000195486523 KK Annotated Reactive CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@@H](Cc1ccccc1)C[C@@H](C(C)C)C2 ZINC000195486526 KK Annotated Reactive CCOC(=O)c1sc(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(C(=O)OCC)c1CCc1ccccc1 ZINC000195486539 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000195486913 KK Annotated Reactive COP(=O)(CC(=O)[C@@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OC ZINC000195487055 KK Annotated Anodyne COP(=O)(CC(=O)[C@H]1O[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OC ZINC000195487058 KK Annotated Anodyne COC(=O)C1=C(CCCCO[Si](C)(C)C(C)(C)C)NC(=O)N2[C@@H](CCOCc3ccccc3)CC[C@H]12 ZINC000195487287 KK Annotated Reactive C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000195487558 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000195487560 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OCC[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000195488363 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OCC[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000195488368 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OCC[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000195488374 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OCC[C@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000195488379 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O ZINC000195488630 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O ZINC000195488634 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O ZINC000195488638 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O ZINC000195488641 KK Annotated Reactive C=CC[C@@H]1C(=O)[C@@]2(O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C[C@H]2NC(=O)OCC(Cl)(Cl)Cl ZINC000195489437 KK Annotated Reactive CCn1c2ccccc2c2ccc([C@@H]3[C@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)cc21 ZINC000195490037 KK Annotated Anodyne CCn1c2ccccc2c2ccc([C@H]3[C@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)cc21 ZINC000195490042 KK Annotated Anodyne CCn1c2ccccc2c2ccc([C@@H]3[C@@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)cc21 ZINC000195490047 KK Annotated Anodyne CCn1c2ccccc2c2ccc([C@H]3[C@@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)cc21 ZINC000195490052 KK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3[C@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000195491686 KK Annotated Anodyne COc1ccc(Oc2cccc([C@H]3[C@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000195491691 KK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3[C@@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000195491695 KK Annotated Anodyne N#C[C@]12C(=O)N3C(=N[C@H](c4ccccc4)N[C@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCC1 ZINC000195492191 KK Annotated Mild N#C[C@]12C(=O)N3C(=N[C@@H](c4ccccc4)N[C@@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCC1 ZINC000195492195 KK Annotated Mild N#C[C@]12C(=O)N3C(=N[C@@H](c4ccccc4)N[C@H]3c3ccccc3)[C@@]1(C#N)[C@@H](c1ccccc1)NC1=C2CCC1 ZINC000195492199 KK Annotated Mild NC(=O)[C@H](c1ccccc1)N1O[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000195492545 KK Annotated Anodyne NC(=O)[C@@H](c1ccccc1)N1O[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000195492549 KK Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493075 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493079 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493084 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493086 KK Annotated Mild CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195493203 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195493206 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195493210 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195493214 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493721 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493724 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493729 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195493732 KK Annotated Mild Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@]4(CO[Si](C)(C)C(C)(C)C)N[C@@H](c5ccccc5)[C@H]2[C@H]34)cc1 ZINC000195494172 KK Annotated Reactive Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000195494479 KK Annotated Anodyne CCOC(=O)[C@@]12CN(C34CC5CC(CC(C5)C3)C4)C[C@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000195494701 KK Annotated Anodyne CCOC(=O)[C@]12CN(C34CC5CC(CC(C5)C3)C4)C[C@@](C(=O)OCC)(C1=O)[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 ZINC000195494703 KK Annotated Anodyne O=C1C(=c2cc3c(c4ccccc24)=N[C@]24CCCC[C@H]2[C@H](c2ccccc2)C=C(c2ccccc2)N34)C(=O)c2ccccc21 ZINC000195494813 KK Annotated Clean O=C1C(=c2cc3c(c4ccccc24)=N[C@]24CCCC[C@H]2[C@@H](c2ccccc2)C=C(c2ccccc2)N34)C(=O)c2ccccc21 ZINC000195494816 KK Annotated Clean NC1=N[C@@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000195494922 KK Annotated Anodyne NC1=N[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000195494926 KK Annotated Anodyne NC1=N[C@@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000195494929 KK Annotated Anodyne NC1=N[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@@H]2O1 ZINC000195494932 KK Annotated Anodyne COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195495943 KK Annotated Bother COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195495947 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000195496043 KK Annotated Reactive CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195496183 KK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195496186 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195496190 KK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195496193 KK Annotated Anodyne COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195496591 KK Annotated Bother Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195496625 KK Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000195496629 KK Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@H](/C=C\CCCC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21 ZINC000195496917 KK Annotated Reactive COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195497169 KK Annotated Bother COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195497176 KK Annotated Bother CC(C)(C)c1cc2nc(c1)C(C(F)(F)F)(C(F)(F)F)OB(Br)OC2(C(F)(F)F)C(F)(F)F ZINC000195497305 KK Annotated Mild Cc1cc(C)c(P2/C(=C(/O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C2(c2ccccc2)c2ccccc2)c(C)c1 ZINC000195497816 KK Annotated Reactive COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000195497858 KK Annotated Bother COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000195497863 KK Annotated Bother COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195497957 KK Annotated Bother COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195497961 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195497967 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000195497973 KK Annotated Bother COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000195498192 KK Annotated Bother O=C1C(Br)=C(C2=CC(=P(c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)C(=O)C(Br)=C1C1=CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1 ZINC000195498293 KK Annotated Unstable Cc1c2ccccc2c([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2Cc2ccc(CC(N)=O)cc2)c2ccccc12 ZINC000195498392 KK Annotated Bother Cc1c2ccccc2c([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2Cc2ccc(CC(N)=O)cc2)c2ccccc12 ZINC000195498397 KK Annotated Bother Cc1c2ccccc2c([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2Cc2ccc(CC(N)=O)cc2)c2ccccc12 ZINC000195498401 KK Annotated Bother Cc1c2ccccc2c([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2Cc2ccc(CC(N)=O)cc2)c2ccccc12 ZINC000195498405 KK Annotated Bother CO[C@H]1/C=C\C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000195498785 KK Annotated Anodyne CO[C@H]1/C=C\C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000195498787 KK Annotated Anodyne CO[C@H]1/C=C\C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000195498790 KK Annotated Anodyne CO[C@H]1/C=C\C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000195498793 KK Annotated Anodyne CCCCC[C@H](/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC ZINC000195498944 KK Annotated Reactive CCCCC[C@@H](/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC ZINC000195498947 KK Annotated Reactive CCCCC[C@H](/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC ZINC000195498950 KK Annotated Reactive CCCCC[C@@H](/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC ZINC000195498951 KK Annotated Reactive C=CC(C)(C)/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C)c1ccccc1I ZINC000195499412 KK Annotated Reactive COC(=O)C1=C(CCCCO[Si](C)(C)C(C)(C)C)NC(=O)N2[C@H](CCOCc3ccccc3)CC[C@@H]12 ZINC000195499530 KK Annotated Reactive CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)c(C#N)c1=S ZINC000195499628 KK Annotated Mild CC(=O)O[C@@H]1[C@@H](n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000195499631 KK Annotated Mild CC(=O)O[C@H]1CO[C@H](n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195499632 KK Annotated Mild Cc1ccc(-c2cnc(N[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000195499791 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@]23CC[C@]2(C3=O)[C@@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195500375 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@]23CC[C@]2(C3=O)[C@@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000195500378 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195500884 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195500887 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195500890 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195500892 KK Annotated Mild O=C1[C@H]2C[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000195500960 KK Annotated Reactive O=C1[C@H]2C[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@H](Cl)C[C@@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000195500963 KK Annotated Reactive O=C1[C@H]2C[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000195500966 KK Annotated Reactive O=C1[C@H]2C[C@H](Cl)[C@@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)C[C@@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000195500968 KK Annotated Reactive CCN1CC[C@@](O)(c2ccc(Oc3ccc(F)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000195501559 KK Annotated Anodyne CCN1CC[C@](O)(c2ccc(Oc3ccc(F)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1 ZINC000195501562 KK Annotated Anodyne CCCCCCCCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O ZINC000195501687 KK Annotated Mild CCCCCCCCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@@H]2O ZINC000195501689 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@H](C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195501755 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195501757 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)CC/C(C)=C\CC2 ZINC000195501762 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)CC/C(C)=C\CC2 ZINC000195501764 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195501767 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195501770 KK Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3cccc4ccccc34)[C@@H](C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 ZINC000195501909 KK Annotated Anodyne O=C1C[C@@]2(CC[C@@](O)(c3cccc4ccccc34)[C@@H](C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 ZINC000195501912 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C(=O)NC(=O)C[C@@H]1[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195502091 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195502094 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C(=O)NC(=O)C[C@H]1[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195502097 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@H]1[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000195502101 KK Annotated Anodyne Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)Nc5nnc(C)s5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)s1 ZINC000195502119 KK Annotated Reactive CN(C)c1cccc2c1C(=O)C=C[C@@]21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000195502301 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195502313 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195502315 KK Annotated Mild COc1ccc(C)cc1N1C(=O)[C@@H]2[C@@H](ON(Cc3ccc(CC(N)=O)cc3)[C@H]2c2c3ccccc3c(Cl)c3ccccc23)C1=O ZINC000195502481 KK Annotated Bother CC(C)[Si](Oc1cc2c3c(ccc2c(O)c1[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC3)(C(C)C)C(C)C ZINC000195503038 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)CCCC[C@@H]1CC(Sc1ccccc1)Sc1ccccc1 ZINC000195503088 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)CCCC[C@H]1CC(Sc1ccccc1)Sc1ccccc1 ZINC000195503090 KK Annotated Reactive Cc1ccc(OC[C@@H]2O[C@H](n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000195503109 KK Annotated Anodyne Cc1ccc(OC[C@H]2O[C@H](n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000195503113 KK Annotated Anodyne O=S(=O)(O)c1cc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)ccc1/C=C/c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1S(=O)(=O)O ZINC000195503328 KK Annotated Clean COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)CNC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195503332 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)CNC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195503335 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@]2(/N=C(\Nc3ccccc3)c3ccccc3)N(c3ccc(OC)cc3)C[C@@H](c3ccccc3)N2O1 ZINC000195503374 KK Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000195503550 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000195503552 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195504806 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](COC(=O)c2ccccc2)O[C@@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195504809 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195504812 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](COC(=O)c2ccccc2)O[C@@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195504815 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195505224 KK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195505227 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195505230 KK Annotated Anodyne CC(C)(C)[C@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@@H]3[C@@H]2C1 ZINC000195505232 KK Annotated Anodyne C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195505497 KK Annotated Mild C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000195505500 KK Annotated Mild C=CCO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000195505874 KK Annotated Reactive C=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000195505876 KK Annotated Reactive C=CCO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000195505879 KK Annotated Reactive C=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000195505881 KK Annotated Reactive COCOc1c([C@@H](O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC ZINC000195506156 KK Annotated Reactive COCOc1c([C@H](O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC ZINC000195506158 KK Annotated Reactive Nc1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)c(/N=N/c6ccc([N+](=O)[O-])cc6)c(N)c5c4O)cc3)cc2)c2cc(S(=O)(=O)O)ccc12 ZINC000195506429 KK Annotated Clean C[C@@H](CC(=O)OCc1ccccc1)O[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000195506902 KK Annotated Anodyne C[C@@H](CC(=O)OCc1ccccc1)O[C@H]1O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000195506906 KK Annotated Anodyne COC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1I)OC ZINC000195506919 KK Annotated Reactive CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195507304 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195507307 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195507310 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195507312 KK Annotated Mild CC(C)(C)NC(=O)CC[C@@H]1[C@@H](C(=O)NC(C)(C)C)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195507755 KK Annotated Anodyne CC(C)(C)NC(=O)CC[C@H]1[C@@H](C(=O)NC(C)(C)C)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195507758 KK Annotated Anodyne CC(C)(C)NC(=O)CC[C@@H]1[C@H](C(=O)NC(C)(C)C)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195507761 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ncn([C@@H]4C[C@@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195509066 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ncn([C@H]4C[C@@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195509069 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ncn([C@@H]4C[C@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195509071 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ncn([C@H]4C[C@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195509073 KK Annotated Anodyne Nc1cc(O)c2cc(/N=N/c3ccc(/N=N/c4ccc(/N=N/c5ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c6c5)c5ccccc45)c4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)cc2c1 ZINC000195510544 KK Annotated Clean C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O ZINC000195511761 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O ZINC000195511765 KK Annotated Mild C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc5C(=O)[C@@H]4C(=O)OC)cc4[nH]c(cc1n2)c(C=O)c4CC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C ZINC000195512019 KK Annotated Bother COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195512582 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000195512585 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCC1)CC/C(C)=C\CC2 ZINC000195512588 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCC1)CC/C(C)=C\CC2 ZINC000195512590 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](C)NC(C)=O)CC/C(C)=C\CC2 ZINC000195512593 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](C)NC(C)=O)CC/C(C)=C\CC2 ZINC000195512596 KK Annotated Anodyne COc1ccc([P+](CCCCCCCCCCNC2=CC(=O)c3ccccc3C2=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000195513206 KK Annotated Reactive C[Si](C)(C)c1ccc(-c2c3ccc(-c4cc(Br)cc(Br)c4)nc3nc3nc(-c4cc(Br)cc(Br)c4)ccc23)cc1 ZINC000195514086 KK Annotated Bother CCOCc1c(C)cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]2(C#N)C(=O)OCC)c1C ZINC000195514292 KK Annotated Mild CCOCc1c(C)cc(C)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]2(C#N)C(=O)OCC)c1C ZINC000195514294 KK Annotated Mild CCOCc1c(C)cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]2(C#N)C(=O)OCC)c1C ZINC000195514296 KK Annotated Mild CCOCc1c(C)cc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]2(C#N)C(=O)OCC)c1C ZINC000195514298 KK Annotated Mild CN(C)c1ccc(O[Si](Oc2ccc(N(C)C)cc2)(Oc2ccc(N(C)C)cc2)Oc2ccc(N(C)C)cc2)cc1 ZINC000195514352 KK Annotated Reactive Cc1ccc(OC[C@@H]2O[C@H](n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000195514482 KK Annotated Anodyne Cc1ccc(OC[C@H]2O[C@H](n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000195514483 KK Annotated Anodyne Cc1c2ccccc2c([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2[C@@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000195514526 KK Annotated Bother Cc1c2ccccc2c([C@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2[C@@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000195514527 KK Annotated Bother Cc1c2ccccc2c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2[C@@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000195514529 KK Annotated Bother Cc1c2ccccc2c([C@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2[C@@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000195514531 KK Annotated Bother Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@H]31 ZINC000195514577 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@H]31 ZINC000195514578 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@H]1CC[C@H](C(C)(C)C)C[C@H]1[C@@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@@H]31 ZINC000195514580 KK Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H](C(c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000195514671 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H]2[C@@H](C(c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)O[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000195514672 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H]2[C@H](C(c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)O[C@@H]3OC(C)(C)O[C@@H]32)cc1 ZINC000195514674 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H]2[C@H](C(c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)O[C@@H]3OC(C)(C)O[C@H]23)cc1 ZINC000195514676 KK Annotated Mild COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OC)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000195515060 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(OC)cc5c4[C@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000195515062 KK Annotated Anodyne COc1cc(C(=O)[C@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@H]2[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000195515498 KK Annotated Anodyne COc1cc(C(=O)[C@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@H]2[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000195515500 KK Annotated Anodyne COc1cc(C(=O)[C@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@@H]2[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000195515502 KK Annotated Anodyne COc1cc(C(=O)[C@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@@H]2[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000195515504 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O ZINC000195515525 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O ZINC000195515526 KK Annotated Reactive C=CC[C@@]1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@H]2[C@H]1C(C(=O)OC(C)(C)C)=C(OC)[C@]2(CC=C)C(=O)OC(C)(C)C ZINC000195515588 KK Annotated Mild C=CC[C@@]1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@H]2[C@@H]1C(C(=O)OC(C)(C)C)=C(OC)[C@]2(CC=C)C(=O)OC(C)(C)C ZINC000195515590 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195515611 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195515613 KK Annotated Anodyne COC(C[C@@]1(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC ZINC000195515617 KK Annotated Reactive COC(C[C@]1(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC ZINC000195515619 KK Annotated Reactive C[Si](C)(C)c1ccc(-c2sc(-c3ccc([Si](C)(C)C)s3)c3c2C[Si]2(C3)Cc3c(-c4ccc([Si](C)(C)C)s4)sc(-c4ccc([Si](C)(C)C)s4)c3C2)s1 ZINC000195515645 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000195515931 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000195515933 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000195515935 KK Annotated Anodyne CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1COC(=O)NCCCCCCNC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000195516051 KK Annotated Mild CCC1=C[C@@H]2CN3Cn4c(c(COCc5c6n(c7ccccc57)CN5C[C@H]7C=C(CC)[C@H]5[C@]6(C(=O)OC)C7)c5ccccc54)[C@@](C(=O)OC)(C2)[C@H]13 ZINC000195516352 KK Annotated Anodyne CCC1=C[C@H]2CN3Cn4c(c(COCc5c6n(c7ccccc57)CN5C[C@H]7C=C(CC)[C@H]5[C@]6(C(=O)OC)C7)c5ccccc54)[C@@](C(=O)OC)(C2)[C@H]13 ZINC000195516354 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ccn([C@@H]4C[C@@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195516486 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ccn([C@H]4C[C@@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195516487 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ccn([C@@H]4C[C@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195516489 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ccn([C@H]4C[C@H](Oc5ccc(C)cc5)[C@@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000195516491 KK Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3ccc4ccccc4c3)[C@@H](C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 ZINC000195516501 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000195516608 KK Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195516774 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195516776 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195516777 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195516779 KK Annotated Mild CC(=O)N1[C@@H](CCc2ccccc2)C[C@@](C)(C=O)[C@@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 ZINC000195516831 KK Annotated Reactive CC(=O)N1[C@@H](CCc2ccccc2)C[C@@](C)(C=O)[C@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 ZINC000195516833 KK Annotated Reactive CC(=O)N1[C@@H](Cc2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)[C@](C)(C=O)C[C@H]1CCc1ccccc1 ZINC000195516834 KK Annotated Reactive CC(=O)N1[C@H](CCc2ccccc2)C[C@@](C)(C=O)[C@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 ZINC000195516836 KK Annotated Reactive CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000195516937 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000195516938 KK Annotated Mild COc1ccc(COCC[C@H](C)O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 ZINC000195516977 KK Annotated Reactive COc1ccc(COCC[C@H](C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 ZINC000195516979 KK Annotated Reactive COc1ccc(COCC[C@H](C)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 ZINC000195516981 KK Annotated Reactive COc1ccc(COCC[C@H](C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 ZINC000195516983 KK Annotated Reactive C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@](OC)(OC(C)=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@@H](N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)c1C3=O ZINC000195517083 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@@](OC)(OC(C)=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@@H](N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)c1C3=O ZINC000195517085 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@](OC)(OC(C)=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@@H](N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)c1C3=O ZINC000195517087 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@@](OC)(OC(C)=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@@H](N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)c1C3=O ZINC000195517089 KK Annotated Anodyne COC1=C(C(=O)OC(C)(C)C)[C@@]23CCCC[C@@]2(C(C(=O)OC(C)(C)C)=C(OC)[C@@H]3C(=O)OC(C)(C)C)[C@@H]1C(=O)OC(C)(C)C ZINC000195517103 KK Annotated Anodyne COC1=C(C(=O)OC(C)(C)C)[C@]23CCCC[C@@]2(C(C(=O)OC(C)(C)C)=C(OC)[C@@H]3C(=O)OC(C)(C)C)[C@@H]1C(=O)OC(C)(C)C ZINC000195517104 KK Annotated Anodyne O=P1([C@@H](O)/C=C/c2ccccc2)N(Cc2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000195517250 KK Annotated Anodyne CC(C)(C)OC(=O)/C=C/[C@@H](CCC(=O)/C=C/[C@H](/C=C\CCCC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21)O[Si](C)(C)C(C)(C)C ZINC000195517376 KK Annotated Reactive COc1ccc([C@H]2/C=C/CN(S(=O)(=O)/C=C\c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000195517513 KK Annotated Anodyne O=C1c2ccccc2C(=O)[C@@H]2NC(CCCCCSSCCCCCC3=N[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 ZINC000195517525 KK Annotated Reactive O=C1c2ccccc2C(=O)[C@H]2NC(CCCCCSSCCCCCC3=N[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 ZINC000195517526 KK Annotated Reactive CC1(C)OC[C@@H](/C=C\CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)c1ccccc1 ZINC000195517567 KK Annotated Reactive COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195517831 KK Annotated Reactive COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195517834 KK Annotated Reactive COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000195517835 KK Annotated Reactive O=[N+]([O-])c1cc2ccc1OCc1cccc(n1)COc1ccc(cc1[N+](=O)[O-])/C=N/CCCCCCCC/N=C\2 ZINC000195517885 KK Annotated Bother C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCC/C=C\c1nc3ccccc3cc1O2)C(=O)NS(=O)(=O)C1CC1 ZINC000195518178 KK Annotated Mild C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518611 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518613 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518615 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 ZINC000195518617 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000195518618 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000195518620 KK Annotated Reactive COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C ZINC000195519119 KK Annotated Reactive CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520674 KK Annotated Anodyne CCC(C)(C)C1C[C@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520676 KK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000195520678 KK Annotated Anodyne C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)Nc3cccc(Cl)c3)CC(C)=C[C@H]2C1 ZINC000195520868 KK Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@]2(COCOC)[C@@H](OC(=O)Nc3cccc(Cl)c3)CC(C)=C[C@H]2C1 ZINC000195520870 KK Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)Nc3cccc(Cl)c3)CC(C)=C[C@H]2C1 ZINC000195520872 KK Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@H]1C=C[C@]2(COCOC)[C@@H](OC(=O)Nc3cccc(Cl)c3)CC(C)=C[C@H]2C1 ZINC000195520874 KK Annotated Mild COc1ccccc1[P+](Cc1ccc(Cc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC ZINC000195521952 KK Annotated Reactive COc1ccccc1[P+](Cc1ccc(C(=O)c2ccc(C[P+](c3ccccc3)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1)c1ccccc1OC ZINC000195521954 KK Annotated Reactive C/C1=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(Br)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000195523043 KK Annotated Anodyne CC[C@H]1NC(=O)[C@@H](C)C/C(C)=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O ZINC000195524226 KK Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195524513 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195524514 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195524516 KK Annotated Mild C#C[C@H](O)/C=C/[C@@H](O)CCC[C@@H](O)CC#C[C@@H](O)C#CCCCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000195524517 KK Annotated Mild CC(C)(C)OC(=O)C1=C(O)[C@H](C(=O)OC(C)(C)C)[C@]23CCCC[C@]12[C@H](C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C ZINC000195524689 KK Annotated Anodyne CC(C)(C)OC(=O)C1=C(O)[C@H](C(=O)OC(C)(C)C)[C@]23CCCC[C@]12[C@@H](C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C ZINC000195524690 KK Annotated Anodyne CC(C)(C)OC(=O)C1=C(O)[C@@H](C(=O)OC(C)(C)C)[C@]23CCCC[C@@]12[C@@H](C(=O)OC(C)(C)C)C(O)=C3C(=O)OC(C)(C)C ZINC000195524692 KK Annotated Anodyne COc1cc([C@@H]2[C@H]3C(=O)c4ccccc4[C@@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]23Cc2ccccc2C3=O)cc(OC)c1OC ZINC000195524807 KK Annotated Anodyne COc1cc([C@@H]2[C@@H]3C(=O)c4ccccc4[C@@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]23Cc2ccccc2C3=O)cc(OC)c1OC ZINC000195524809 KK Annotated Anodyne COc1cc([C@@H]2[C@H]3C(=O)c4ccccc4[C@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]23Cc2ccccc2C3=O)cc(OC)c1OC ZINC000195524810 KK Annotated Anodyne COc1cc([C@@H]2[C@@H]3c4ccccc4C(=O)[C@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@]23Cc2ccccc2C3=O)cc(OC)c1OC ZINC000195524812 KK Annotated Anodyne Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000195524997 KK Annotated Anodyne Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000195524999 KK Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3ccccc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195758948 KK Annotated Reactive CCCCC[C@@H]1CCC[C@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@H]12 ZINC000195759922 KK Annotated Reactive CCCCC[C@@H]1CCC[C@@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000195759923 KK Annotated Reactive CCCCC[C@@H]1CCC[C@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]12 ZINC000195759924 KK Annotated Reactive CCCCC[C@@H]1CCC[C@@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000195759925 KK Annotated Reactive CC(C(=O)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000195760030 KK Annotated Unstable Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@](=O)(O)C(=O)OCc2ccccc2)c1=O ZINC000195763886 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000195765522 KK Annotated Reactive CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 ZINC000195765524 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000195771202 KK Annotated Reactive Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000195776150 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000195776153 KK Annotated Clean CC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])cc1)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000195776154 KK Annotated Clean CC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(O[P@@](=O)(OCCSC(=O)C(C)(C)C)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])cc1)C(=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000195776155 KK Annotated Clean CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C[C@]2(C)C=O)cc1)(C(C)C)C(C)C ZINC000195777801 KK Annotated Reactive CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1 ZINC000195794519 KK Annotated Anodyne COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C ZINC000195810460 KK Annotated Reactive COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C ZINC000195810465 KK Annotated Reactive C/C(=C\[C@H](C[C@](C)(O)[C@H](O)CCC#C[Si](C)(C)C)S(=O)(=O)c1ccccc1)CC/C=C/CO[Si](C)(C)C(C)(C)C ZINC000195810788 KK Annotated Reactive C/C(=C\CC[C@]1(C)OC(C)(C)O[C@@H]1CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC/C=C/CO[Si](C)(C)C(C)(C)C ZINC000195812238 KK Annotated Reactive C=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000195815958 KK Annotated Reactive O=c1c2cc3c(=O)n(CC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)c(=O)c3cc2c(=O)n1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000195816034 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@H]2CCCNC2)C1 ZINC000195820398 KK Annotated Reactive CCC(=O)N1CCC[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000195820409 KK Annotated Reactive CCC(=O)N1CCC[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000195820412 KK Annotated Reactive CCCCCC/C=C/CCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC[C@H](C)CO)CC[C@@]32C)C1(C)C ZINC000195820661 KK Annotated Mild CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000195822465 KK Annotated Anodyne Cl[Sn]1(Cl)n2c3c4cc5ccccc5cc4c2N=C2N=C(N=c4c5cc6ccccc6cc5c(n41)=NC1=NC(=N3)c3cc4ccccc4cc31)c1cc3ccccc3cc12 ZINC000195824302 KK Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@H]2CCCCN2)C1 ZINC000195824744 KK Annotated Reactive CCC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000195824884 KK Annotated Reactive CCC(=O)N1CCCC[C@@H]1[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000195824889 KK Annotated Reactive CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000195828029 KK Annotated Anodyne CCCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](CC[C@H](CCCCCCCCCCCCC(=O)N[C@H]1CC[C@@H]2c3c(O)cc(O)cc3CCN2C1=O)OS(=O)(=O)O)OS(=O)(=O)O ZINC000195831135 KK Annotated Mild CCCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](CC[C@H](CCCCCCCCCCCCC(=O)N[C@H]1CC[C@H]2c3c(O)cc(O)cc3CCN2C1=O)OS(=O)(=O)O)OS(=O)(=O)O ZINC000195831139 KK Annotated Mild CCOC(=O)C1=CC2=C3N=C(C=c4c(CC)c(C)c5n4[Sn](Cl)(Cl)n4c(c(CC)c(C)c42)C=C2N=C(C=5)C(CC)=C2C)[C@@H](C)[C@@]13CC ZINC000195835734 KK Annotated Anodyne world COc1cc2c(cc1C(C)C)[C@H]1O[C@@H]3[C@H]4C(C)(C)CCC[C@]4(C)c4cc(OC)c(C(C)C)cc4[C@H]3O[C@@H]1[C@H]1C(C)(C)CCC[C@]21C ZINC000195840613 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1C/C=C(/C)CC/C=C(\COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO)CC/C=C(\C)CC1 ZINC000195846992 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3ccc(O)cc3)c3c(O)cc5c(c3[C@H]2[C@@H]4c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)cc1 ZINC000195849814 KK Annotated Anodyne CCCCCCCCCCCCCCCCC1=C[C@@H](C(=O)O)[C@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@@H]1C(=O)OC ZINC000195861264 KK Annotated Mild CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H]1C1(c2ccc3c(c2OC)OCO3)SCCCS1 ZINC000195862632 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000195864117 KK Annotated Anodyne CCC[C@@H](O)Cc1c(Br)c(O)c2c(=O)c3c(O)c(Br)c(O)c4c5c(O)cc(O)c6c(=O)c7c(O)c(Br)c(C[C@H](C)O)c8c1c2c(c34)c(c65)c78 ZINC000195864629 KK Annotated Bother CCCCCCCC[C@H](C)C[C@H](OS(=O)(=O)O)[C@H](CC[C@H](CCCCCCCCCCCCC(=O)N[C@H]1CC[C@@H]2c3c(O)cc(O)cc3CCN2C1=O)OS(=O)(=O)O)OS(=O)(=O)O ZINC000195866545 KK Annotated Mild COc1cc2c(cc1O)[C@H](Cc1ccc(OC)c(O)c1Oc1cc(C[C@H]3c4cc(O)c(OC)cc4CC[N+]3(C)[O-])ccc1OC)N(C)CC2 ZINC000195867952 KK Annotated Bother C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@@H]1[C@@H]3O[C@H]2c3c(c(C(C)(C)C=C)c4oc(=O)c(C(C)(C)C=C)cc4c3O)OC(C)(C)[C@@H]12 ZINC000195871723 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000195872098 KK Annotated Anodyne C/C(=C\COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1)CC[C@@H](O)C(C)(C)O ZINC000195873455 KK Annotated Anodyne in-man COc1cc(O)c([C@@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H](CCc2ccc(O)cc2)C[C@@H]1/C=C/c1ccc(O)cc1 ZINC000195873788 KK Annotated Anodyne C#CCCCCCCC[C@@H]1O[C@H]1C#CC#CCCC(=O)OC[C@@H](COC(=O)CCC#CC#C[C@@H]1O[C@H]1CCCCCCCC=C)OC(=O)CCC#CC#C[C@@H]1O[C@H]1CCCCCCCC=C ZINC000195874172 KK Annotated Mild COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@@H]1c3c(cc(O)c(C)c3OC)O[C@](c3ccccc3)(O2)[C@H]1O ZINC000195876508 KK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]2c4cc(O)cc(O)c4-c4cc(O)ccc4[C@H]32)cc1 ZINC000195878758 KK Annotated Anodyne CC(=O)c1c(C)c(-c2oc3cc(O)c(O)c(C(=O)O)c3c(=O)c2Cc2c(C)oc3c(c2=O)COc2cc(O)c(O)cc2-3)cc2c(=O)c3c(C(=O)O)c(O)c(O)cc3oc12 ZINC000195884253 KK Annotated Clean CC1=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000195887333 KK Annotated Anodyne CC(C)=CCCC1=C[C@@H](c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2O)O3)[C@H](C(=O)c2ccc(O)c(CC=C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000195887578 KK Annotated Anodyne CCOC(=O)/C=C/CCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCCOC[C@H](N)CO)CC[C@@H](O)[C@H]1O2 ZINC000195889084 KK Annotated Anodyne CC(=O)NC[C@@H](CN(CCCCCCCCCCCCCCCCCCCCCCN(C[C@@H](CNC(C)=O)OC(C)=O)C(C)=O)C(C)=O)OC(C)=O ZINC000195898113 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](O)/C(C)=C/[C@@H](C)c2oc([C@@H](C)[C@H](CC)OC(C)=O)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000195904508 KK Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](NC(=S)Nc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N ZINC000195908392 KK Annotated Reactive COc1c2c(c3c(c1OC)[C@@]1(OC)C4=C(C(=O)[C@H](OC)[C@@]1(OC)O3)[C@H](OC)C[C@@H](c1ccccc1)O4)[C@H](OC)C[C@@H](c1ccccc1)O2 ZINC000195910828 KK Annotated Mild CC1(C)O[C@H]2CC[C@@]3(C)O[C@@H]([C@](C)(O)CC[C@@H]4OC(C)(C)[C@H](Br)CC[C@@]4(C)O)CC[C@@H]3O[C@]2(C)CC[C@@H]1Br ZINC000195911243 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 ZINC000195916711 KK Annotated Reactive Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2cc(O)cc(O)c2)[C@@H]4c2ccc(O)cc2)cc1 ZINC000195927986 KK Annotated Anodyne CCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OCCCCCCCCC[C@@H]4N=C(N)N5CCCC5=C4C(=O)OCCCCN=C(N)N)=C(C)NC(=N1)N23 ZINC000195930794 KK Annotated Mild in-vitro CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@@H]3OC(=O)/C=C/c1ccccc1 ZINC000195936731 KK Annotated Anodyne CC(=O)NC[C@@H](CN(CCCCCCCCCCCCCCCCCCCCCCCN(C[C@@H](CNC(C)=O)OC(C)=O)C(C)=O)C(C)=O)OC(C)=O ZINC000195939490 KK Annotated Anodyne CC1=C[C@@H](c2c(O)ccc([C@@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000195945151 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC(C)=O)/C(C)=C/[C@@H](C)c2oc([C@@H](C)[C@H](CC)OC(C)=O)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000195947187 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)c4c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000195947652 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc4c5c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H](O)[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000195952488 KK Annotated Anodyne C[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]4CC[C@]5(O)[C@H](CCCC5(C)C)[C@@]4(C)CC[C@H]23)[C@]1(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000195952554 KK Annotated Anodyne C=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O ZINC000195953254 KK Annotated Mild C/C(=C\COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000195956057 KK Annotated Anodyne Oc1ccc([C@@H]2[C@H]3c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@@H](c4ccc(O)cc4)[C@@H]2c2cc(O)cc(O)c23)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000195962392 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@@H]1C/C=C(/C)CC/C=C(\COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCO)CC/C=C(\C)CC1 ZINC000195967745 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(/C=C/c4ccc(O)cc4O)cc(O)c3[C@@H]2c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000195968467 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000195969524 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H]1C(=O)c1ccc2c(c1OC)OCO2 ZINC000195969857 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O ZINC000195971156 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)CCN(C)[C@H]2Cc1cc(Oc2ccc(C[C@H]3c4cc(OC)c5c(c4CCN3C)OCO5)cc2)c(OC)c(OC)c1OC ZINC000195971659 KK Annotated Anodyne CCCCCC/C=C\CCCCCCCCCc1c(O)c(OC)cc2c1[C@@]1(CCCCCCCCC/C=C\CCCCCC)C(=O)C(OC)=CC(=O)[C@@]1(O)O2 ZINC000195973291 KK Annotated Mild CCCCCC/C=C\CCCCCCCCCc1c(O)c(OC)cc2c1[C@]1(CCCCCCCCC/C=C\CCCCCC)C(=O)C(OC)=CC(=O)[C@]1(O)O2 ZINC000195973297 KK Annotated Mild O=C1c2c(-c3ccc(O)cc3)ccc3ccc(O)c(c23)[C@H]2[C@H]3c4c(O)ccc5ccc(-c6ccc(O)cc6)c(c45)C(=O)[C@]3(O)O[C@]12O ZINC000195977330 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 ZINC000195977498 KK Annotated Reactive O=S(=O)(O)OC(=C\c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)/C(=C\c1cc(Br)c2occ(-c3ccc(O)c(Br)c3)c2c1)OS(=O)(=O)O ZINC000195984080 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)C=C3)[C@@]1(C(=O)c1ccccc1)C2=O ZINC000195989256 KK Annotated Mild COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1C[C@](c3ccccc3)(Oc3cc(O)c(C)c(OC)c31)O2 ZINC000195990403 KK Annotated Anodyne O=C(OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)[C@H]12)c1ccccc1 ZINC000195990765 KK Annotated Anodyne CC(=O)Oc1c(Br)cc(/C=C2\OC(=O)C=C2c2cc(Br)c(OC(C)=O)c(Br)c2)cc1Br ZINC000195998072 KK Annotated Anodyne CC1(C)O[C@H]2CC[C@@]3(C)O[C@@H]([C@](C)(O)CC[C@@H]4OC(C)(C)[C@H](Br)CC[C@]4(C)O)CC[C@@H]3O[C@]2(C)CC[C@@H]1Br ZINC000196000552 KK Annotated Reactive COc1cc(O)c2c(=O)c3cccc(O)c3n(C)c2c1/C=C/[C@@]1(C)COc2c(ccc3c(=O)c4c(O)cc5c(c4n(C)c23)C=CC(C)(C)O5)O1 ZINC000196000969 KK Annotated Bother COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)[C@H]1[C@@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C[C@@H]21 ZINC000196001883 KK Annotated Mild C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000196002572 KK Annotated Mild CC(=O)NC[C@@H](CN(CC/C=C\CCCCCCCCCCCCCC/C=C\CCN(C[C@@H](CNC(C)=O)OC(C)=O)C(C)=O)C(C)=O)OC(C)=O ZINC000196006031 KK Annotated Anodyne C/C(=C\COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C ZINC000196007062 KK Annotated Anodyne c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000196011922 KK Annotated Reactive COc1cc(-c2c3c4cc(OC)c(OC(C)=O)cc4oc(=O)c3n3ccc4cc(OC(C)=O)c(OC)cc4c23)ccc1OC(C)=O ZINC000196014416 KK Annotated Bother CC(=O)c1c(C)c(-c2oc3cc(O)c(O)c(C(=O)O)c3c(=O)c2Cc2c(C)oc3c(c2=O)COc2cc(O)c(O)c(C(=O)O)c2-3)cc2c(=O)c3cc(O)c(O)cc3oc12 ZINC000196025297 KK Annotated Clean CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@@](C)(OC(C)=O)[C@H]2CC[C@@H]2[C@@](C)(OC(C)=O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]32C)OC1(C)C ZINC000196044281 KK Annotated Anodyne C#Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C#C)cc3)c3ccc([nH]3)c(-c3ccc(C#C)cc3)c3ccc([nH]3)c(-c3ccc(C#C)cc3)c3ccc2n3)cc1 ZINC000196050572 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@](C)(OC(C)=O)[C@H]2CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)OC(C)=O)OC1(C)C ZINC000196063174 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000196066373 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCC/C=C\CCCCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000196067314 KK Annotated Mild CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000196071648 KK Annotated Anodyne O=C1C2=C([C@H]3C(=O)[C@@H]1[C@@H](c1ccc(O)cc1)[C@@H]3c1cc(O)cc(O)c1)[C@H]1[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]1[C@@H]2c1ccc(O)cc1 ZINC000196074327 KK Annotated Mild COc1cc(O)c([C@@H](/C=C/C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H](CCc2ccc(O)cc2)C[C@@H]1/C=C/c1ccc(O)cc1 ZINC000196085263 KK Annotated Anodyne COC(=O)C[C@H]1c2c(O)cc(O)c([C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)cc4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O5)[C@@H]3O)c2O[C@H](c2ccc(O)cc2)[C@@H]1O ZINC000196090109 KK Annotated Anodyne O=C1C=C2[C@H]3[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]3[C@H](c3ccc(O)cc3)[C@]23C(=O)[C@H]1[C@H](c1cc(O)cc(O)c1)[C@H]3c1ccc(O)cc1 ZINC000196110474 KK Annotated Mild c1ccc(P(c2ccccc2)c2ccccc2CN[C@H]2CCCC[C@H]2NCc2ccccc2P(c2ccccc2)c2ccccc2)cc1 ZINC000196120849 KK Annotated Reactive O=C1C=C2O[C@@H](c3ccc(O)cc3)[C@H]3C2=C(C1=O)[C@@H]([C@@H]1c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2[C@H]1c1ccc(O)cc1)[C@H](c1ccc(O)cc1)O4)[C@H](c1ccc(O)cc1)c1c(O)cc(O)cc13 ZINC000196179188 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@]1(C(=O)C(C)C)C2=O ZINC000196181286 KK Annotated Mild O=C(Oc1cc(OC(=O)c2ccccc2)c2c(=O)c(OC(=O)c3ccccc3)c(-c3ccc(OC(=O)c4ccccc4)c(OC(=O)c4ccccc4)c3)oc2c1)c1ccccc1 ZINC000196206982 KK Annotated Anodyne COc1ccc([Si](C)(C)[C@H]2[C@H](CC(=O)N3CCC[C@H]3CO)O[C@@]3(C(=O)N(Cc4cccc(I)c4)c4ccccc43)[C@@H]2C)cc1 ZINC000196208322 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c(/C=C/c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000196216929 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000196229560 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000196229567 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000196229572 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)C(C)C)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000196229582 KK Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)c(-c4c(O)cc(O)c5c4Oc4c(O)cc(Oc6c(O)cc(O)cc6O)c(Oc6cc(O)cc(O)c6)c4O5)c2O3)c1 ZINC000196276549 KK Annotated Anodyne CC(C)(C)C1=C/C(=C/N[C@H]2CCCC[C@H]2N/C=C2\C=C(C(C)(C)C)C=C(CN3CCCCC3)C2=O)C(=O)C(CN2CCCCC2)=C1 ZINC000196306470 KK Annotated Mild CC(C)(C)C1=C/C(=C/N[C@H]2CCCC[C@H]2N/C=C2/C=C(C(C)(C)C)C=C(CN3CCCCC3)C2=O)C(=O)C(CN2CCCCC2)=C1 ZINC000196306475 KK Annotated Mild CC(C)(C)C1=C/C(=C\N[C@H]2CCCC[C@H]2N/C=C2\C=C(C(C)(C)C)C=C(CN3CCCCC3)C2=O)C(=O)C(CN2CCCCC2)=C1 ZINC000196306481 KK Annotated Mild CC(C)(C)C1=C/C(=C/N[C@@H]2CCCC[C@@H]2N/C=C2\C=C(C(C)(C)C)C=C(CN3CCCCC3)C2=O)C(=O)C(CN2CCCCC2)=C1 ZINC000196306487 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(OC(C)=O)c(Oc3c(OC(C)=O)cc(OC(C)=O)c(Oc4cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c4)c3OC(C)=O)c2)c(OC(C)=O)c1 ZINC000196511998 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000196512011 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000196512036 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000196513283 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(Oc4cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c4)c(OC(C)=O)c3)c(OC(C)=O)c2OC(C)=O)c(OC(C)=O)c1 ZINC000196513305 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(Oc4cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c4)c(OC(C)=O)c3OC(C)=O)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000196513316 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(Oc3c(OC(C)=O)cc(Oc4c(OC(C)=O)cc(OC(C)=O)cc4OC(C)=O)cc3OC(C)=O)cc(OC(C)=O)c(OC(C)=O)c2OC(C)=O)c1 ZINC000196513369 KK Annotated Anodyne COc1ccc2c(=O)c3c(n(C)c2c1OC)OC(C)(C)[C@@H]1[C@H]3C[C@]2(C)C[C@H]1c1c(c3ccc(OC)c(OC)c3n(C)c1=O)O2 ZINC000196758498 KK Annotated Anodyne COc1ccc2c(=O)c3c(n(C)c2c1OC)OC(C)(C)[C@@H]1[C@@H]3C[C@]2(C)C[C@H]1c1c(c3ccc(OC)c(OC)c3n(C)c1=O)O2 ZINC000196758509 KK Annotated Anodyne COC(=O)[C@H]1C(=O)C(c2ccc(OC)cc2)(c2ccc(OC)cc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C ZINC000196927096 KK Annotated Reactive COC(=O)[C@@H]1C(=O)C(c2ccc(OC)cc2)(c2ccc(OC)cc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C ZINC000196927108 KK Annotated Reactive CC(C)(C)[Si](C)(C)Oc1ccc(C2=C3OCOC3=C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C(=O)C2=O)cc1 ZINC000196992441 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)c(O)cc2c1[C@@]13C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]4C(=C(OC4(C)C)C1=O)C(=O)[C@@]3(O)O2 ZINC000197072686 KK Annotated Mild COc1cc(O)c(-c2c(C)cc(O)c3c2C(=O)c2ccc([C@H]4c5cccc(O)c5C(=O)c5c(O)cc(C)c(-c6c(O)cc(OC)c(C(C)=O)c6O)c54)c(O)c2C3=O)c(O)c1C(C)=O ZINC000197145173 KK Annotated Clean O[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](O)[C@@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000197152890 KK Annotated Anodyne COc1cc(OC)c2c(c1OC)[C@H](O[C@@H]1c3c(OC)c(OC)cc(OC)c3-c3ccc4cc5c(cc4c3N1C)OCO5)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000197153886 KK Annotated Anodyne COC(=O)C1=CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CO[C@@H]([C@H]2[C@@H]3CCN4CC[C@@]5(C(=C3C(=O)OC)Nc3ccccc35)[C@@H]24)C[C@@H]1C ZINC000197157827 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](C(=O)OCCCCCCCCCCCCCCCCCC)[C@H](c1cc(O)cc(OC)c1)O2 ZINC000197160988 KK Annotated Mild CCOC(=O)C1=CC2=C3N4C(=CC5=NC(=Cc6c(CC)c(C)c(n6[Sn]4(Cl)Cl)C=C4N=C2C(C)=C4CC)C(C)=C5CC)[C@@H](C)[C@]13CC ZINC000197178353 KK Annotated Anodyne world CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CCC(C)(C)[C@H](OC(C)=O)[C@H]5CC[C@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000197178536 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CCC(C)(C)C(=O)[C@H]5CC[C@]4(C)[C@@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O ZINC000197178614 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(OC(C)=O)cc3Oc3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)cc2OC(C)=O)c1 ZINC000197190142 KK Annotated Anodyne C=C1[C@@H](O)CCC2=NCCC[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)CC[C@H]2C[C@@H](C)[C@@H]1O2 ZINC000197190608 KK Annotated Mild CCCCCC(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000197203997 KK Annotated Mild CCCCCC(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000197204706 KK Annotated Mild CC(=O)O[C@@H](C)CC(=O)Oc1c(OC(=O)C[C@H](C)O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(OC(=O)CCc2ccccc2)c1-c1ccc(O)cc1 ZINC000197208146 KK Annotated Anodyne CC(=O)O[C@H]1[C@H]2C(C)=C3C[C@@H](C(C)C)C(=O)C[C@@H](C)[C@]31[C@@H]1C(=O)C(C)=C3C=C4C(C)(C)OO[C@@]4(O)C[C@@H](C)[C@@]321 ZINC000197208326 KK Annotated Reactive O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000197209194 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@H]23)[C@]2(C)O[C@@H]24)C1(C)C ZINC000197218652 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=O)C[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@@H]23)[C@]2(C)O[C@@H]24)C1(C)C ZINC000197218664 KK Annotated Mild C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)C[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000197218760 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)c4c3c(cc3cc5c(cc34)O[C@@H](c3ccc(O)cc3)[C@@H]5c3cc(O)cc(O)c3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000197225239 KK Annotated Bother Oc1ccc([C@H]2Oc3ccc(/C=C4/c5cc(O)cc(O)c5[C@H](c5ccc(O)cc5)[C@H]4c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000197225253 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3/C(=C/c3ccc4c(c3)[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000197225267 KK Annotated Anodyne Oc1ccc([C@H]2Oc3ccc(/C=C4\c5cc(O)cc(O)c5[C@H](c5ccc(O)cc5)[C@H]4c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000197225277 KK Annotated Anodyne CC1=C(CC/C(C)=C/C(=O)O)[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)[C@](C)(CO)[C@@H]2[C@H](OC(=O)CC(C)C)C1 ZINC000197240741 KK Annotated Anodyne CC1=C(CC/C(C)=C/C(=O)O)[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)[C@](C)(COC(=O)CC(C)C)[C@@H]2[C@H](O)C1 ZINC000197240755 KK Annotated Anodyne CC(C)CCC[C@@H](O)CC[C@H](O)CC(=O)O[C@@H](CC[C@@H](CCCC(C)C)OC(=O)C[C@@H](O)CC[C@H](O)CCCC(C)C)CC(=O)O ZINC000197254271 KK Annotated Anodyne C=CCc1ccc(OC[C@H](Oc2ccc(CC=C)cc2OC)[C@@H](Oc2ccc(CC=C)cc2OC)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000197268371 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]([C@H]4CO[C@H](C=C(C)C)C4)[C@]3(C)CC[C@@H]2[C@@]1(C)[C@H](CC(=O)OC)OC(C)=O ZINC000197271490 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000197287260 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCC[C@H](O)/C=C/[C@H](O)C#C ZINC000197292583 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c3c2Oc2c(cc(OC(C)=O)c4c2oc2cc(OC(C)=O)cc(OC(C)=O)c24)O3)c1 ZINC000197294783 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1)Oc1c(OC(C)=O)cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(Br)c(OC(C)=O)c3)c1O2 ZINC000197294818 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1)Oc1c(OC(C)=O)cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(I)c(OC(C)=O)c3)c1O2 ZINC000197294834 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c3c2Oc2c(OC(C)=O)cc4oc5cc(OC(C)=O)cc(OC(C)=O)c5c4c2O3)c1 ZINC000197294848 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c3c2Oc2c(cc4oc5cc(OC(C)=O)cc(OC(C)=O)c5c4c2OC(C)=O)O3)c1 ZINC000197294865 KK Annotated Anodyne CC(=O)Oc1cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)cc2OC(C)=O)c1 ZINC000197295058 KK Annotated Anodyne CC(=O)Oc1cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)c1 ZINC000197295074 KK Annotated Anodyne CC(=O)Oc1cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1 ZINC000197295106 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(OC(C)=O)c(-c4c(OC(C)=O)cc(OC(C)=O)cc4OC(C)=O)c3OC(C)=O)cc2OC(C)=O)c1 ZINC000197295164 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000197295175 KK Annotated Anodyne C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)/C4=C\O)C=c4[nH]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000197301247 KK Annotated Anodyne in-vitro C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)c3c1oc1cc(O)c(O)cc1c3=O)C2=O ZINC000197309355 KK Annotated Mild CC(C)[C@H](N)C(=O)N[C@H]1Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc(oc24)[C@H](C(C)C)NC1=O ZINC000197331160 KK Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)Cc2ccc3c(c2)[C@]24c5cccc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc1oc24 ZINC000197331315 KK Annotated Anodyne c1cc2cc3cc4ccc5cc6cc7ccc8cc9ccc%10cc%11cc%12ccc%13cc%14cc%15ccc%16cc1c1c2c2c3c3c4c5c4c6c5c7c8c6c9c%10c7c%11c8c%12c%13c9c%14c%10c%15c%16c1c1c2c2c3c4c3c5c6c7c4c8c9c(c%101)c2c34 ZINC000197382366 KK Annotated Bother in-vitro CC1=C[C@@H]2c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000197411310 KK Annotated Anodyne CC1=C[C@@H]2c3c(ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000197411358 KK Annotated Mild CC[C@H](C)[C@@H]1NC(=O)[C@@H](N)Cc2ccc3c(c2)[C@]24c5cc(Cl)cc(c5N[C@@H]2O3)-c2cccc3[nH]c(Cl)c(c23)-c2oc(nc2Cl)-c2nc1oc24 ZINC000197427549 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000197431411 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)C=C3)[C@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000197431422 KK Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)[C@@H]1O ZINC000197458045 KK 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@@]2(O)[C@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000197463692 KK Annotated Mild Cn1c(Br)c(Br)c(Br)c1-n1c(Br)c(Br)c(Br)c1Br ZINC000197534049 KK Annotated Anodyne CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C(C)(C)[C@@H]4C[C@]56CCCN5C(=O)[C@]4(NC6=O)[C@H]4N5C(=O)[C@@]67CCCN6C(=O)[C@]56[C@@H](C7)C(C)(C)c5c(c7ccc8c(c7n5O)C=CC(C)(C)O8)[C@@H]6[C@]234)O1 ZINC000197569787 KK Annotated Anodyne COc1cc(CCN(C)C)c2c(c1O)SSc1c(CCN(C)C)c(SC)c(OC)c(OC)c1SSc1c(CCN(C)C)cc(OC)c(O)c1S2 ZINC000197761234 KK Annotated Reactive CO[C@@]1(C)[C@H]2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@H]2C[C@H]21 ZINC000197798139 KK Annotated Reactive C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C/c4ccc(O)cc4O)cc(O)c1[C@H]3C2=O ZINC000197879267 KK Annotated Anodyne C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@H]3C2=O ZINC000197879554 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000197884524 KK Annotated Anodyne COc1cc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2cc(OC)c(OC)cc2-3)ccc1O ZINC000197901088 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000197909720 KK Annotated Mild CO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6ccc7ccccc7c6)CC5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000197909741 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCN(C(=O)[C@@H]6CCCN6C(=O)c6cccc7ccccc67)CC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000197909829 KK Annotated Mild O=C(CC[C@]1(C[C@@H](OC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000197912384 KK Annotated Reactive O=C(CC[C@]1(C[C@H](OC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000197912392 KK Annotated Reactive O=C(CC[C@@]1(C[C@@H](OC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000197912399 KK Annotated Reactive O=C(CC[C@@]1(C[C@H](OC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000197912409 KK Annotated Reactive C=CCCCCCCCCCCCCC#CCCC(=O)OCC(COC(=O)CCC#CCCCCCCCCCCCCC=C)OC(=O)CCC#CCCCCCCCCCCCCC=C ZINC000197916759 KK Annotated Mild CCCC[C@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000197926688 KK Annotated Anodyne in-vivo CCCC[C@@H](OC(=O)CN(CC)CC)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000197926695 KK Annotated Anodyne in-vivo Oc1cc(O)c(Oc2cc(O)c(-c3c(O)c(-c4c(O)cc(O)cc4O)c(O)c(-c4c(O)cc(Oc5c(O)cc(O)cc5O)cc4O)c3O)c(O)c2)c(O)c1 ZINC000197932355 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(-c3c(O)c(-c4c(O)cc(O)cc4O)c(O)c(-c4c(O)cc(Oc5c(O)cc(O)cc5Oc5c(O)cc(O)cc5O)cc4O)c3O)c(O)c2)c(O)c1 ZINC000197932362 KK Annotated Anodyne CCCCCCCC[C@@H](C)C[C@H](OS(=O)(=O)O)[C@H](CC[C@H](CCCCCCCCCCCCC(=O)N[C@H]1CC[C@@H]2c3c(O)cc(O)cc3CCN2C1=O)OS(=O)(=O)O)OS(=O)(=O)O ZINC000197951497 KK Annotated Mild Oc1ccc(C2=Cc3cc(O)cc4c3[C@H](c3cc(O)c5c(c32)O[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000197972568 KK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2Oc2ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000197973080 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@H]1c2c(c(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)-c2c(O)cc3c4c2[C@@H]1[C@H](c1ccc(O)cc1)c1c(O)cc(O)cc1[C@H]4[C@H](c1ccc(O)cc1)O3 ZINC000197973177 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000197985944 KK Annotated Anodyne O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23C=CNC2=C3c3nccc4c[nH]c(c34)C2=O)[C@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000197992601 KK Annotated Reactive C=CCc1ccc(Oc2cc(CC=C)cc(O)c2OC[C@@H](O)[C@H](O)c2cc(O)c(O)c(Oc3cc(CC=C)cc(Oc4ccc(CC=C)cc4)c3Oc3ccc(CC=C)cc3)c2)cc1 ZINC000197998752 KK Annotated Mild COc1ccc2c(O[C@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1F ZINC000198000707 KK Annotated Anodyne in-vitro CCCCCCCC/C=C\CCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCC/C=C\CCCCCCCC)C(=O)C=C(OC)C1=O ZINC000198005128 KK Annotated Mild CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CCNC4(CC4)C3)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000198005797 KK Annotated Anodyne COc1cc(C(=O)[C@H](COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)cc(OC)c1O ZINC000198009726 KK Annotated Anodyne COc1cc([C@@H](O)[C@H](COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)cc(OC)c1O ZINC000198009738 KK Annotated Anodyne COc1cc(/C=C/COC(=O)c2ccc(O)cc2)ccc1O[C@@H](COC(=O)c1ccc(O)cc1)[C@H](O)c1cc(OC)c(O)c(OC)c1 ZINC000198009759 KK Annotated Anodyne COc1cc([C@@H](O)[C@H](COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)ccc1O ZINC000198009875 KK Annotated Anodyne Oc1ccc(/C=C\c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000198010402 KK Annotated Anodyne Oc1ccc(/C=C\c2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000198010406 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000198013748 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000198017561 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000198017568 KK Annotated Anodyne CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O ZINC000198023519 KK Annotated Reactive CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000198023528 KK Annotated Reactive CCC[C@H](Cc1c(Br)c(O)c2c(c1Br)C(=O)c1c(Br)c(O)c(Br)c(OC)c1C2=O)OS(=O)(=O)O ZINC000198024896 KK Annotated Clean CCO[C@H](c1ccc(O)c(OC)c1)[C@@H](COC(=O)c1ccc(O)cc1)Oc1ccc(/C=C/COC(=O)c2ccc(O)cc2)cc1OC ZINC000198033240 KK Annotated Anodyne C[C@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 ZINC000198035674 KK Annotated Reactive CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000198041242 KK Annotated Reactive CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]12 ZINC000198042566 KK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]12 ZINC000198042572 KK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000198042744 KK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000198042748 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000198051589 KK Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000198054546 KK Annotated Mild CC(C)CC(=O)c1c(O)cc(O)c(C[C@]23OC[C@@H](c4c(O)cc(O)c(C(=O)CC(C)C)c4O)[C@H]2c2c(O)cc(O)c(C(=O)CC(C)C)c2O3)c1O ZINC000198056662 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000198057124 KK Annotated Mild C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)/C4=C\O)C=c4[nH]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000198058797 KK Annotated Anodyne in-vitro COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000198075781 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000198076051 KK Annotated Anodyne CCCCCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C)OCO3 ZINC000198076062 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](C)[C@]1(C)O ZINC000198076070 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000198109829 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000198109837 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCC/C=C\CCCC/C=C\CC/C=C/C#C[C@@H](O)C#C[C@H](O)CCCCC/C=C/[C@H](O)C#C ZINC000198110018 KK Annotated Mild COc1cc2c(c(OC)c1-c1c(C)c(-c3c(C)c(-c4c(OC)cc5c(c4OC)[C@H](C)N[C@@H](C)C5)c4cccc(OC)c4c3O)c(O)c3c(OC)cccc13)[C@H](C)N[C@@H](C)C2 ZINC000198141906 KK Annotated Anodyne COc1cc(OC)c(-c2c(C)c(-c3c(C)c(-c4c(OC)cc(OC)c5c4C[C@H](C)N=C5C)c4cccc(OC)c4c3O)c(O)c3c(OC)cccc23)c2c1C(C)=N[C@@H](C)C2 ZINC000198141918 KK Annotated Anodyne COc1c(-c2c(C)c(-c3c(C)c(-c4c(O)cc5c(c4OC)[C@@H](C)N(C)[C@@H](C)C5)c(O)c4c(OC)cccc34)c3cccc(OC)c3c2O)c(O)cc2c1[C@@H](C)N(C)[C@@H](C)C2 ZINC000198141929 KK Annotated Anodyne CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](OC)/C=C(/COC(C)=O)[C@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)OOC3=O ZINC000198145599 KK Annotated Reactive Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Br)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Br)cc1O)O2 ZINC000198172080 KK Annotated Anodyne Oc1cc(O)cc(C/C(Cl)=C\Cc2cc(Oc3c(O)cc(C/C(Cl)=C\Cc4cc(O)c(Cl)cc4O)cc3O)c(Cl)cc2O)c1 ZINC000198172586 KK Annotated Anodyne Oc1cc(Cl)c2cc1C/C=C(/Cl)Cc1cc(O)c(c(O)c1)Oc1cc(c(O)cc1Cl)C/C=C(/Cl)Cc1cc(O)c(c(O)c1)O2 ZINC000198172599 KK Annotated Anodyne Oc1cc(Cl)c2cc1C/C=C(/Cl)Cc1cc(O)c(c(O)c1)Oc1cc(c(O)cc1Br)C/C=C(/Cl)Cc1cc(O)c(c(O)c1)O2 ZINC000198172615 KK Annotated Anodyne Oc1cc(Cl)c2cc1C/C=C(/Cl)Cc1cc(O)c(c(O)c1Br)Oc1cc(c(O)cc1Cl)C/C=C(/Cl)Cc1cc(O)c(c(O)c1)O2 ZINC000198172630 KK Annotated Anodyne O=C1N/C=C/c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000198225781 KK Annotated Mild CC[C@H](C)CCN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000198226848 KK Annotated Anodyne N=C1N(CCCCC2CCCCC2)[C@@H](Cc2ccccc2)CN1[C@@H](Cc1ccccc1)CN1CCC[C@@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000198226897 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000198227011 KK Annotated Anodyne CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000198250002 KK Annotated Mild CC1=C(CC/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CCC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000198268855 KK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OOc3cc(C)c4c(c3)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O4)cc(C)c2O1 ZINC000198273249 KK Annotated Reactive COC(=O)CCC[C@@H](O)/C(Br)=C/C=C/C(=O)CC/C=C(Br)/C=C\Br ZINC000198357299 KK Annotated Mild COC(=O)CCC[C@H](O)/C(Br)=C/C=C/C(=O)CC/C=C(Br)/C=C\Br ZINC000198357310 KK Annotated Mild Cn1c(Nc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21 ZINC000198367458 KK Annotated Anodyne C=CCc1ccc(Oc2cc(CC=C)cc(OC[C@@H](O)[C@H](O)c3cc(O)c(O)c(Oc4cc(CC=C)cc(Oc5ccc(CC=C)cc5)c4Oc4ccc(CC=C)cc4)c3)c2O)cc1 ZINC000198435359 KK Annotated Mild CC[C@H]1/C=C/[C@H](O)[C@H](C=C(C)C)OC(=O)/C(C)=C/CC(=O)Nc2cc(O)cc3c2O/C(=C\C(=O)CC1)C(C)=C3 ZINC000198442470 KK Annotated Mild Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1 ZINC000198456849 KK Annotated Anodyne COc1cc(-c2ccc(CN3CCN(Cc4ccncc4)CC3)cc2)ccc1C(O)(C(F)(F)F)C(F)(F)F ZINC000198456867 KK Annotated Anodyne O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)OCc3ccccc3)cc2)n1)c1ccccc1 ZINC000198461549 KK Annotated Anodyne O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3cccc(Cl)c3)cc2)n1)c1ccccc1 ZINC000198468009 KK Annotated Anodyne O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)n1)c1ccccc1 ZINC000198470988 KK Annotated Anodyne O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3cccc(F)c3)cc2)n1)c1ccccc1 ZINC000198477633 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C ZINC000198491195 KK Annotated Anodyne CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc(O)cc3)n2)cc1 ZINC000198494309 KK Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000198494525 KK Annotated Anodyne COC(=O)[C@@]1(C(C)C)N=C(c2cc(OC)c(OC)c(OC)c2)[C@]2(O1)C(=O)N(Cc1ccc(OC)cc1)c1ccc(Br)cc12 ZINC000198558961 KK Annotated Anodyne OC[C@H]1O[C@@H](c2c(O)cc(O)cc2[C@@H](O)[C@@H](c2ccc(O)cc2)c2c(O)cc3c(c2/C=C/c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)[C@H](O)[C@@H](O)[C@@H]1O ZINC000198563090 KK Annotated Anodyne CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000198587451 KK Annotated Anodyne CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000198587496 KK Annotated Anodyne CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O[C@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)c(C)c(CC=C(C)C)c2O1 ZINC000198590034 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000198682743 KK Annotated Anodyne COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000198714009 KK Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@H](C[C@H](O)/C=C\C=C/c1cccc(O)c1Cl)O[P@@](=O)(O)O[C@@H](COC)C(=O)O ZINC000198773430 KK Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@H](C[C@H](O)/C=C/C=C/c1cccc(O)c1Cl)O[P@@](=O)(O)O[C@@H](COC)C(=O)O ZINC000198773452 KK Annotated Anodyne CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)C[C@@H](C)[C@H](C[C@H](O)/C=C/C=C\c1cccc(O)c1Cl)O[P@@](=O)(O)O[C@@H](COC)C(=O)O ZINC000198773474 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)Oc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2C(=O)N3)[nH]1)C(C)C ZINC000198799285 KK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000198802578 KK Annotated Mild C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C/c4ccccc4)C[C@H](C)[C@@H]4OC(C)(C)O[C@@H]1[C@@H]43)C2(C)C ZINC000198806714 KK Annotated Mild CC(C)[C@@H]1N=C(c2cccc(C3=N[C@H](C(C)C)C(c4ccccc4)(c4ccccc4)O3)n2)OC1(c1ccccc1)c1ccccc1 ZINC000198836070 KK Annotated Anodyne CC(=O)c1c(O)c2c3c4c(c5c(O)cccc5oc-4cc(=O)c3c1O)[C@H]([C@H](C)CC(=O)c1c(O)cccc1O)[C@H]2C ZINC000198844297 KK Annotated Bother CC1=C[C@@H]2c3c(cc4oc5c(O)cccc5c(=O)c4c3O)O[C@@H](c3cc(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@@H]2C(C)(C)C1 ZINC000198880125 KK Annotated Clean C=C1CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000198888943 KK Annotated Mild COc1ccc2[nH]c3c(Cc4ccc5[nH]c6c(C)c(C)c(OC)c(O)c6c5c4)c(C)c(OC)c(O)c3c2c1 ZINC000198950484 KK Annotated Anodyne C[N+](C)(C)C[C@H](c1c[nH]c2cc(Br)ccc12)c1c2cc[nH]c3ccnc(c4nc(CS(=O)(=O)O)oc14)c32 ZINC000198957455 KK Annotated Bother CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)[C@@]34C=C[C@@]12OO4 ZINC000198970436 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000199058503 KK Annotated Mild O=C(Cc1ccccc1)Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1 ZINC000199099844 KK Annotated Clean CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)N4CCN(c5ccc(Cl)cn5)CC4)c2C3=O)c1 ZINC000199199636 KK Annotated Anodyne CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)N4CCN(c5ncc(Br)cn5)CC4)c2C3=O)c1 ZINC000199199654 KK Annotated Anodyne COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000199204105 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2C(F)(F)F)c1C(=O)NCc1cccc2ccccc12 ZINC000199205036 KK Annotated Anodyne COc1cc(O)cc(O)c1C(=O)[C@@H]1C(C(=O)CCc2ccccc2)=C[C@@H](O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000199211733 KK Annotated Mild CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000199228501 KK Annotated Anodyne C[C@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C[C@H](CC(=O)O)C(=O)O ZINC000199257492 KK Annotated Anodyne O=C(Cc1cn(Cc2ccccc2)c2ccccc12)Nc1ccc(Nc2cccnc2)c(Br)c1 ZINC000199262722 KK Annotated Anodyne CN(c1ccc(NC(=O)CCc2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1)c1ccccn1 ZINC000199263411 KK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2ccc(-c3ccccc3)cc2F)c1 ZINC000199263555 KK Annotated Anodyne Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000199263930 KK Annotated Anodyne CN(c1cccnc1)c1ccc(NC(=O)Cc2cn(Cc3ccccc3)c3ccccc23)cc1Br ZINC000199264347 KK Annotated Anodyne Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(=O)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000199265691 KK Annotated Mild Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2cccnc2)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000199265814 KK Annotated Anodyne CCCCCN(C(=O)Cc1c(C)n(CCCCC)c2ccccc12)c1ccc(Oc2cccnc2)c(C)c1 ZINC000199265867 KK Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)CN(CC(=O)OC)C(=O)N[C@H]3[C@H](C(C)C)CC[C@@]4(C)CCCC(=C)[C@H]34)[C@@H]12 ZINC000199292765 KK Annotated Mild C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)C(O)C(=O)N[C@H]3[C@H](C(C)C)CC[C@@]4(C)CCCC(=C)[C@H]34)[C@@H]12 ZINC000199296565 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@H](O)[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@H]2O)c1 ZINC000199304348 KK Annotated Mild NC1=N[C@@H](c2c[nH]c3cc(Br)ccc23)[C@H]([C@@H](c2c[nH]c3cc(Br)ccc23)[C@@H]2NC(N)=N[C@H](O)[C@H]2c2c[nH]c3cc(Br)ccc23)N1 ZINC000199309786 KK Annotated Anodyne CO[C@@H]1N=C(N)N[C@@H]([C@H](c2c[nH]c3cc(Br)ccc23)[C@@H]2NC(N)=N[C@H]2c2c[nH]c3cc(Br)ccc23)[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000199309803 KK Annotated Anodyne NC1=N[C@@H](c2c[nH]c3cc(Br)ccc23)[C@H]([C@H]2c3c([nH]c4cc(Br)ccc34)[C@H]3N=C(N)N[C@@H]2[C@@H]3c2c[nH]c3cc(Br)ccc23)N1 ZINC000199312119 KK Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(C(=O)O)[C@@H](OC(=O)c3ccccc3)CC[C@]21C ZINC000199328849 KK Annotated Anodyne COc1cc(Oc2cc(OC)c3c(c2)C(=O)c2cc(C)cc(O)c2C3=O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O ZINC000199336015 KK Annotated Clean COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2)[nH]1)C(C)C ZINC000199340767 KK Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2C[C@H]3[C@H](CON3C)CN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000199354196 KK Annotated Anodyne CCCCC[C@@H]1[C@@H]2C(=C(OCC)C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000199356143 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(CC)cc3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000199356561 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccs3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000199356628 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cccs2)C1 ZINC000199356859 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(Br)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000199361842 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4[N+](=O)[O-])[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000199361894 KK Annotated Bother Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4C)[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000199361941 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccc(Cl)cc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000199362057 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000199362167 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccccc4F)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000199362221 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccccc4F)C[C@@H]3N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000199362304 KK Annotated Anodyne CCc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@H](c4ccc(C)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000199362429 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCCC1=O ZINC000199363719 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCCC1=O ZINC000199363735 KK Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCCCCCC)[C@H](OC(=O)NCCCCCC)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000199363814 KK Annotated Mild C#CCN(C[C@H]1[C@H](OC(=O)Nc2cccs2)[C@H](OC(=O)Nc2cccs2)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000199363840 KK Annotated Mild C#CCN(C[C@H]1[C@H](OC(=O)Nc2c(C)noc2C)[C@H](OC(=O)Nc2c(C)noc2C)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000199363872 KK Annotated Mild O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1C[C@@H](COCc1ccccc1)Oc1cccc2c1S(=O)(=O)N(CCc1ccc(F)cc1)C[C@H](COCc1ccccc1)O2 ZINC000199368090 KK Annotated Anodyne COc1ccc(-c2nc3c(C)cc(Br)cn3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000199372258 KK Annotated Anodyne Oc1ccc(/C=C\c2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000199381612 KK Annotated Anodyne CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)oc1-c1cccc(C(F)(F)F)c1 ZINC000199395774 KK Annotated Anodyne O=C(Nc1cc(-c2ccc(OCCC(F)(F)F)cc2)sc1C(=O)O)c1ccc(Br)o1 ZINC000199402698 KK Annotated Anodyne CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@H](CNC(=O)/C=C\c2ccc(/C=C3\SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000199413664 KK Annotated Anodyne CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@H](CNC(=O)/C=C/c2ccc(/C=C3\SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000199413682 KK Annotated Anodyne CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@H](CNC(=O)/C=C\c2ccc(/C=C3/SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000199413696 KK Annotated Anodyne CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@H](CNC(=O)/C=C/c2ccc(/C=C3/SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000199413715 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2cc3sc(-c4ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3s2)[nH]1)C(C)C ZINC000199416313 KK Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C3=N1 ZINC000199420570 KK Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C3=N1 ZINC000199420587 KK Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(Br)cc2)C3=N1 ZINC000199421055 KK Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(Br)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(Br)cc2)C3=N1 ZINC000199421068 KK Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@H]2N(Cc3ccc(C(F)(F)F)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccccc2C)C3=N1 ZINC000199421252 KK Annotated Anodyne CCOC(=O)C1=C(C(=O)OCC)[C@@H]2N(Cc3ccc(C(F)(F)F)cc3)c3ccccc3[C@@]23C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccccc2C)C3=N1 ZINC000199421274 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199423450 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199423465 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)cc4s3)cc2)[nH]1)C(C)C ZINC000199424649 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc3c(c2)OCO3)=N[C@H]1c1cccc(Cl)c1 ZINC000199425623 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc3c(c2)OCO3)=N[C@@H]1c1cccc(Cl)c1 ZINC000199425633 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(Cl)c1 ZINC000199425686 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(OC)cc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199425705 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(Cl)c1 ZINC000199425728 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199425741 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 ZINC000199425942 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccccc1 ZINC000199425958 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(Cl)c1 ZINC000199426134 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199426152 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(F)c1 ZINC000199426431 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(F)c1 ZINC000199426446 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(F)cc1 ZINC000199426760 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccc(F)cc1 ZINC000199426776 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199429236 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199429257 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(Cl)cc1 ZINC000199429388 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199429403 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 ZINC000199429721 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccccc1 ZINC000199429745 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cccc(C(F)(F)F)c2)=N[C@H]1c1cccc(Cl)c1 ZINC000199429965 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cccc(C(F)(F)F)c2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199429980 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(Cl)c1 ZINC000199430002 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199430021 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(Cl)c1 ZINC000199430079 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199430095 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(F)c1 ZINC000199430336 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(F)c1 ZINC000199430352 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1cccc(F)c1 ZINC000199430370 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1cccc(F)c1 ZINC000199430383 KK Annotated Mild C=CCNC1=N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430398 KK Annotated Mild C=CCNC1=N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199430413 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000199430433 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199430453 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000199430474 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199430487 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000199430552 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199430566 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000199430588 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199430608 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(Cl)cc1 ZINC000199430820 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199430832 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(Cl)cc1 ZINC000199430854 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199430868 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@H]1c1ccc(F)cc1 ZINC000199430953 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@@H]1c1ccc(F)cc1 ZINC000199430965 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(F)cc1 ZINC000199431017 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(F)cc1 ZINC000199431032 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(F)cc1 ZINC000199431093 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(F)cc1 ZINC000199431114 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(F)cc1 ZINC000199431129 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(F)cc1 ZINC000199431146 KK Annotated Mild C=CCNC1=N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431201 KK Annotated Mild C=CCNC1=N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431219 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199431235 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199431252 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199431273 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199431283 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199431385 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199431400 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1CCc1ccccc1 ZINC000199431582 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1CCc1ccccc1 ZINC000199431599 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1CCc1ccccc1 ZINC000199431660 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1CCc1ccccc1 ZINC000199431674 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1CCc1ccccc1 ZINC000199431690 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1CCc1ccccc1 ZINC000199431709 KK Annotated Anodyne C=CCNC1=N[C@@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431773 KK Annotated Mild C=CCNC1=N[C@H](c2ccccc2C(F)(F)F)C(C(=O)OC)=C(C)N1Cc1ccccc1C(F)(F)F ZINC000199431790 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000199431972 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000199431993 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1C(F)(F)F ZINC000199432017 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccccc1C(F)(F)F ZINC000199432039 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000199432775 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccccc2C(F)(F)F)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199432793 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccccc1 ZINC000199433108 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccccc1 ZINC000199433125 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(Cl)c1 ZINC000199433151 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000199433173 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(F)c1 ZINC000199433200 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(F)c1 ZINC000199433219 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000199433247 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000199433265 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(F)cc1 ZINC000199433338 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(F)cc1 ZINC000199433361 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1cccc(F)c1 ZINC000199433446 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1cccc(F)c1 ZINC000199433471 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(Cl)cc1 ZINC000199433540 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199433560 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(F)cc1 ZINC000199433585 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(F)cc1 ZINC000199433607 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000199433639 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(C(F)(F)F)cc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000199433658 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(Cl)cc1 ZINC000199433916 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199433938 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(Cl)cc1 ZINC000199433958 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1ccc(Cl)cc1 ZINC000199433979 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@@H]4C[C@H](OCc5ccccc5)[C@H](COCc5ccccc5)C4=O)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000199515204 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@@H]4C[C@@H](OCc5ccccc5)[C@H](COCc5ccccc5)C4=O)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000199515246 KK Annotated Anodyne COC1=CC(=O)C(c2c(O)cc(OC)c3c2C=C[C@@](C)(CCC=C(C)C)O3)=C(C/C=C(\C)CCC=C(C)C)C1=O ZINC000199596254 KK Annotated Mild COC1=CC(=O)C2=C(C1=O)[C@H](/C=C(\C)CCC=C(C)C)Oc1cc(OC)c3c(c12)C=C[C@](C)(CCC=C(C)C)O3 ZINC000199601360 KK Annotated Mild COC1=CC(=O)C2=C(C1=O)[C@H](/C=C(\C)CCC=C(C)C)Oc1cc(OC)c3c(c12)C=C[C@@](C)(CCC=C(C)C)O3 ZINC000199601384 KK Annotated Mild COc1cc([C@@H](OC)[C@@H](COC(=O)CC(C)C)Oc2ccc(/C=C/COC(=O)CC(C)C)cc2OC)ccc1O ZINC000199614477 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)C(=O)C=C(C)C5=O)c2c1)C(=O)C(C)=CC3=O ZINC000199617840 KK Annotated Mild C[C@@H](CO)c1cc2c(c(O)c1Oc1c3c(cc4c1OC[C@@H]4C)C=C[C@H]1C(C)(C)CCC[C@]1(O)C3)C[C@H]1C(=O)CCC(C)(C)[C@@H]1C=C2 ZINC000199622009 KK Annotated Anodyne COc1cc(OC)c2c(c1)c(-c1c(O)cc(OC)c3c(O)c4c(=O)cc(C)oc4cc13)c(O)c1c(=O)cc(C)oc12 ZINC000199631645 KK Annotated Bother COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)oc5c4)cc3)cc2)[nH]1)C(C)C ZINC000199640706 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4ccc5oc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)cc2)[nH]1)C(C)C ZINC000199642799 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000199661394 KK Annotated Anodyne CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@@](C)(O)CC[C@H](O)C(C)(C)O)O2 ZINC000199665499 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000199709978 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000199710202 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1C(=O)NCc1cccc2ccccc12 ZINC000199710258 KK Annotated Anodyne C[C@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccc(Cl)cc2)c1-c1ccc(Br)cc1)c1cccc2ccccc12 ZINC000199710304 KK Annotated Anodyne C[C@@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccc(Cl)cc2)c1-c1ccc(Br)cc1)c1cccc2ccccc12 ZINC000199710325 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccccc2Br)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000199710514 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)c1c[nH]c2ccc(Br)cc12 ZINC000199710544 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccc3ccccc3c2)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000199710806 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccncc2)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000199710955 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000199711100 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Cl)cc2)c(-c2ccc(Br)cc2)c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000199711203 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Cl)cc2)c(-c2ccc(Br)cc2)c1C(=O)c1c[nH]c2ccc(F)cc12 ZINC000199711497 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)NC1CCCCC1)N2C(=O)OC ZINC000199721299 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)NC1CCCCC1)N2C(=O)OC ZINC000199721316 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)NC1CCCCC1)N2C(=O)OC ZINC000199721342 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)NC1CCCCC1)N2C(=O)OC ZINC000199721356 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)NCc1ccccc1)N2C(=O)OC ZINC000199721379 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)NCc1ccccc1)N2C(=O)OC ZINC000199721400 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)NCc1ccccc1)N2C(=O)OC ZINC000199721421 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)NCc1ccccc1)N2C(=O)OC ZINC000199721437 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)O)N2C(=O)OC ZINC000199721543 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)O)N2C(=O)OC ZINC000199721561 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)O)N2C(=O)OC ZINC000199721589 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)O)N2C(=O)OC ZINC000199721616 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)OC)N2C(=O)OC ZINC000199721643 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@H](CC(=O)OC)N2C(=O)OC ZINC000199721658 KK Annotated Anodyne CCCCCC[C@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)OC)N2C(=O)OC ZINC000199721686 KK Annotated Anodyne CCCCCC[C@@]12C(=Cc3cc4c(cc31)OCCO4)c1cc(OC)c(OC)cc1[C@@H](CC(=O)OC)N2C(=O)OC ZINC000199721709 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H]2[C@H](C[C@@H](c3ccccc3)[C@H]1C)N(c1ccc(F)cc1)C(=O)N2C/C=C(\C)CCC=C(C)C ZINC000199723619 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H]2[C@H](C[C@@H](c3ccccc3)[C@H]1C)N(c1ccc(F)cc1)C(=O)N2CCCOc1ccccc1 ZINC000199723646 KK Annotated Anodyne CON(C)C(=O)[C@H]1C[C@@H]2[C@H](C[C@@H](c3ccccc3)[C@H]1C)N(c1ccc(F)cc1)C(=O)N2CCCOc1ccccc1 ZINC000199723672 KK Annotated Anodyne CCOC(=O)Cn1c2c(n(-c3ccc(F)cc3)c1=O)C=C(c1ccccc1)[C@@H](C)C(C(=O)N(C)C1CCCCC1)=C2 ZINC000199723699 KK Annotated Anodyne C[C@H]1C(C(=O)N(C)C2CCCCC2)=Cc2c(n(-c3ccc(F)cc3)c(=O)n2CCCOc2ccccc2)C=C1c1ccccc1 ZINC000199723720 KK Annotated Anodyne CCOC(=O)CN1C(=O)N(c2ccc(OC)cc2)[C@H]2C[C@H]3c4ccccc4C[C@]3(C)[C@@H](C(=O)N(C)C3CCCCC3)C[C@H]21 ZINC000199723736 KK Annotated Anodyne CCOC(=O)CN1C(=O)N(c2ccc(OC)cc2)[C@H]2C[C@@H]3c4ccccc4C[C@]3(C)[C@@H](C(=O)N(C)C3CCCCC3)C[C@H]21 ZINC000199723751 KK Annotated Anodyne C=CC[C@@]12C[C@@]3(O[C@H](c4ccc(C(F)(F)F)cc4)N=C3C[C@H](c3ccc(OC)cc3)[C@H]1C)N(Cc1ccc3c(c1)OCO3)C2=O ZINC000199723781 KK Annotated Mild C=CC[C@]12C[C@@]3(O[C@H](c4ccccn4)N=C3C[C@H](c3ccc(OC)cc3)[C@H]1C)N(C1CCN(Cc3ccccc3)CC1)C2=O ZINC000199723803 KK Annotated Mild C=CC[C@]12C[C@@]3(O[C@H](c4ccc(C(F)(F)F)cc4)N=C3C[C@H](c3ccc(OC)cc3)[C@H]1C)N(C1CCN(Cc3ccccc3)CC1)C2=O ZINC000199723817 KK Annotated Mild C=CC[C@]12C[C@@]3(O[C@H](C4CCCCC4)N=C3C[C@H](c3ccc(OC)cc3)[C@H]1C)N(Cc1ccncc1)C2=O ZINC000199723834 KK Annotated Mild C=CC[C@]12C[C@@]3(O[C@H](c4ccc(C(F)(F)F)cc4)N=C3C[C@H](c3ccc(OC)cc3)[C@H]1C)N(Cc1ccncc1)C2=O ZINC000199723851 KK Annotated Mild C[C@]12Cc3ccccc3[C@@H]1CC1=N[C@@H](C3CCCCC3)O[C@@]13C[C@@H]2C(=O)N3C1CCN(Cc2ccccc2)CC1 ZINC000199723868 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@H]1CC1=N[C@@H](C3CCCCC3)O[C@@]13C[C@@H]2C(=O)N3C1CCN(Cc2ccccc2)CC1 ZINC000199723882 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@@H]1CC1=N[C@@H](c3ccccn3)O[C@@]13C[C@@H]2C(=O)N3C1CCN(Cc2ccccc2)CC1 ZINC000199723894 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@H]1CC1=N[C@@H](c3ccccn3)O[C@@]13C[C@@H]2C(=O)N3C1CCN(Cc2ccccc2)CC1 ZINC000199723909 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@@H]1CC1=N[C@@H](c3ccc(C(F)(F)F)cc3)O[C@@]13C[C@@H]2C(=O)N3C1CCN(Cc2ccccc2)CC1 ZINC000199723928 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@H]1CC1=N[C@@H](c3ccc(C(F)(F)F)cc3)O[C@@]13C[C@@H]2C(=O)N3C1CCN(Cc2ccccc2)CC1 ZINC000199723941 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@@H]1CC1=N[C@@H](c3ccc(C(F)(F)F)cc3)O[C@@]13C[C@@H]2C(=O)N3Cc1ccncc1 ZINC000199723961 KK Annotated Anodyne C[C@]12Cc3ccccc3[C@H]1CC1=N[C@@H](c3ccc(C(F)(F)F)cc3)O[C@@]13C[C@@H]2C(=O)N3Cc1ccncc1 ZINC000199723978 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@@]3(O[C@H](c4ccc(C(F)(F)F)cc4)N=C3C[C@@H]1c1ccccc1)N(Cc1ccncc1)C2=O ZINC000199724089 KK Annotated Anodyne COC(=O)c1c(-c2ccc(OC)cc2)c2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(F)cc4)c13)C(=O)N(C)C2 ZINC000199731800 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199731822 KK Annotated Anodyne COC(=O)c1c(-c2ccc(OC)cc2)c2c(c3c4ccccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199731916 KK Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199731968 KK Annotated Anodyne COC(=O)c1c(-c2ccc(OC)cc2)c2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199732308 KK Annotated Anodyne COC(=O)c1c(-c2ccc(OC)cc2)c2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(C)C2 ZINC000199732370 KK Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199732902 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199732943 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199732968 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccccc1)C2 ZINC000199733023 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccco1)C2 ZINC000199733164 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(c1ccc(OC)cc1)C2 ZINC000199733297 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(c1ccc(OC)cc1)C2 ZINC000199733321 KK Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733399 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733455 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733487 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733512 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733538 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733566 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733624 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733654 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccccc1OC)C2 ZINC000199733687 KK Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733719 KK Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733757 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733803 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733835 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733869 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733888 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733908 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733934 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733961 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199733997 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199734033 KK Annotated Anodyne COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C2 ZINC000199734057 KK Annotated Anodyne COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734082 KK Annotated Clean COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734109 KK Annotated Clean COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734129 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734155 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734183 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(F)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734209 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734234 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(OC)ccc4n(S(=O)(=O)c4ccc(OC)cc4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734261 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4cccc(C)c4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734283 KK Annotated Clean COC(=O)c1cc2c(c3c4cc(C)ccc4n(S(=O)(=O)c4ccc(C)cc4)c13)C(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC000199734318 KK Annotated Clean CN1OC[C@@H]2CN(C(=S)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3Br)C[C@@H]21 ZINC000199734394 KK Annotated Anodyne COC(=O)N1C[C@H](OCc2cn(-c3cc(Cl)cc(Cl)c3)nn2)[C@H](OCc2cn(-c3cc(Cl)cc(Cl)c3)nn2)C[C@@H]1c1ccccc1Br ZINC000199735682 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000199738437 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=S)NCCc1ccccc1 ZINC000199738481 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000199738506 KK Annotated Anodyne COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000199738535 KK Annotated Anodyne Cc1ccccc1NC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199738565 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1cccc2ccccc12 ZINC000199738591 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=S)Nc1ccc(C#N)cc1 ZINC000199738651 KK Annotated Mild Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199738677 KK Annotated Anodyne Cc1ccc(C(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccccc6)cccc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000199738703 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000199738772 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)/C=C/c1ccccc1 ZINC000199738794 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)OCc1ccccc1 ZINC000199738919 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000199739002 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=S)NCCc1ccccc1 ZINC000199739058 KK Annotated Anodyne Cc1ccccc1NC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccc6c(c5)OCO6)cccc4c3CCN2C(=O)[C@H]1[C@H](C)O ZINC000199739240 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000199739741 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000199739762 KK Annotated Anodyne Cc1ccccc1-c1ccc2c(c1)[C@@H]1C[C@H](N(C)S(=O)(=O)c3ccc(Cl)cc3)[C@H]([C@H](C)O)CN1CC2 ZINC000199740404 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)C(=O)c1cccc(Cl)c1 ZINC000199740632 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3ccc(-c4ccc5c(c4)OCO5)cc3[C@@H]2C[C@@H]1N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000199740761 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742356 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742464 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742615 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000199742689 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743219 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743331 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743393 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743723 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743773 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743805 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743830 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199743888 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199744025 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199744067 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199744095 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(CCC2=CCCCC2)C1=O ZINC000199744141 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199744158 KK Annotated Anodyne O=C(CCc1ccccc1-c1ccccc1CCNC(=O)COCc1ccccc1)NCc1ccccc1 ZINC000199744262 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744275 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744341 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744373 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744407 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744445 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744472 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(CCC2=CCCCC2)C1=O ZINC000199744574 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744606 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744621 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744645 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744672 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744731 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(CCC2=CCCCC2)C1=O ZINC000199744757 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199744782 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199745200 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199745357 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199745409 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199745740 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199745798 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199745832 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199745862 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199745900 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746006 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746047 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCSCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746081 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746118 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746153 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746175 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746206 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746254 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746276 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746311 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199746409 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746474 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746542 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746580 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746619 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746651 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746684 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746752 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCSCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746797 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746831 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746868 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199746918 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747005 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747044 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747084 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747201 KK Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747381 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(-c3ccc(-c4ccc5oc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)ccc2o1)C(C)C ZINC000199747443 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747502 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)oc5c4)cc3)cc2o1)C(C)C ZINC000199747633 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747649 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(-c3cc4sc(-c5ccc6oc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6c5)cc4s3)ccc2o1)C(C)C ZINC000199747690 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccccc3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199747693 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000199747780 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5oc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)cc2[nH]1)C(C)C ZINC000199747790 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)oc6c5)cc4s3)cc2o1)C(C)C ZINC000199747842 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)oc5c4)cc3)cc2[nH]1)C(C)C ZINC000199747873 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199747955 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748059 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748115 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748166 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748275 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5ccc6oc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6c5)cc4s3)cc2[nH]1)C(C)C ZINC000199748301 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)oc6c5)cc4s3)cc2[nH]1)C(C)C ZINC000199748331 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccccc3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000199748344 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199748643 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5ccc6sc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6c5)cc4s3)cc2[nH]1)C(C)C ZINC000199748682 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1cc2cc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)cc4s3)ccc2[nH]1)C(C)C ZINC000199748713 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1cc2ccc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)cc4s3)cc2[nH]1)C(C)C ZINC000199748742 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199748762 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000199748888 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1cn2cc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)cc4s3)ccc2n1)C(C)C ZINC000199749213 KK Annotated Anodyne COC1=CC(=O)C2=C(C1=O)[C@H](/C=C(\C)CCC=C(C)C)Oc1cc(OC)c(O)c(C/C=C(\C)CCC=C(C)C)c12 ZINC000199749672 KK Annotated Mild COc1cc([C@@H]2Oc3cc(/C=C/COC(=O)CC(C)C)cc(OC)c3O[C@H]2COC(=O)CC(C)C)cc(OC)c1O ZINC000199769572 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(/C)C(=O)/C=C/[C@@](C)(O)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000199772307 KK Annotated Mild COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(=O)cc(C)oc6cc45)c2c1)O[C@@](C)(O)CC3=O ZINC000199773684 KK Annotated Bother COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc(OC)c4c(O)c5c(cc34)O[C@@](C)(O)CC5=O)c2c1 ZINC000199773779 KK Annotated Bother CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(/C)C(=O)/C=C/[C@](C)(O)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000199774782 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\[C@H]4C(=C(C)C)C[C@H](O)[C@]4(C)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000199774812 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\[C@@H]4C(=C(C)C)C[C@H](O)[C@@]4(C)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000199774832 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(C#Cc3cc4[nH]c([C@@H]5C[C@H](C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4s3)cc2[nH]1)C(C)C ZINC000199853312 KK Annotated Mild CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000199876604 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000199887360 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000199887402 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Br)cc3)C(C(=O)O)=CC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000199892284 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3cc4sc(-c5cc6[nH]c([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6s5)cc4s3)cc2)[nH]1)C(C)C ZINC000199892473 KK Annotated Anodyne COc1ccc2c(c1)N[C@@](CCN1C(=O)c3ccccc3C1=O)(c1[nH]c3ccccc3c1CCN1C(=O)c3ccccc3C1=O)C2=O ZINC000199894371 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCC/C=C\CCCC)C(=O)C=C(OC)C1=O ZINC000199896254 KK Annotated Mild CCCC/C=C\CCCCCCCCCc1cc(O)cc2oc3cc(OC)c(O)c(CCCCCCCCC/C=C\CCCC)c3c12 ZINC000199896295 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2sc(-c3ccc(-c4ccc(-c5cc6[nH]c([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6s5)cc4)cc3)cc2[nH]1)C(C)C ZINC000199896990 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)s3)cc2)[nH]1)C(C)C ZINC000199907697 KK Annotated Anodyne C=C1CC[C@@H](OC(=O)/C(=C2/OC(=O)C(c3ccccc3)=C2O)c2ccccc2)C(C)(C)/C=C/[C@@H](C)CC[C@H]1O ZINC000199908869 KK Annotated Mild CCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](CC[C@H](CCCCCCCCCCCC[C@@]1(C(=O)NCCc2cc(O)cc(O)c2)NCCc2cc(O)cc(O)c21)OS(=O)(=O)O)OS(=O)(=O)O ZINC000199914720 KK Annotated Mild C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)/C4=C/O)C=c4[nH]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000199936437 KK Annotated Anodyne in-vitro Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCC2CCNCC2)cc1Cl ZINC000199939116 KK Annotated Anodyne in-vitro CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCC2CCN(C)CC2)cc1Cl ZINC000199940627 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c3c1O[C@@]1(C(C)C)OC4=C(C(=O)C(C)(C)C(=O)C4(C)C)[C@@H]31)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2CC(C)C ZINC000199971444 KK Annotated Mild CC(C)CC(=O)c1c(O)c2c(c3c1O[C@@]1(C(C)C)OC4=C(C(=O)C(C)(C)C(=O)C4(C)C)[C@@H]31)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000199971478 KK Annotated Mild Cc1c(-c2cc(Nc3nc4c(s3)CNCC4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000199975997 KK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(Br)cc1Br ZINC000002006043 KK Annotated Anodyne NCCNC(=O)c1cc(-c2c[nH]c3ccc(Br)cc23)nc2cc(Cl)c(C#CCN3CCCCC3)cc12 ZINC000002006214 KK Annotated Mild N#C[C@@]1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21 ZINC000002007751 KK Annotated Mild Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2cc(Br)c(O)c(Br)c2)cc1 ZINC000002008069 KK Annotated Anodyne O=C(O)c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)ccc1O ZINC000002008084 KK Annotated Anodyne O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)cc2)cc1O ZINC000002008091 KK Annotated Anodyne O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C=C2c2ccccc2)cc1 ZINC000002059087 KK Annotated Clean CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 ZINC000002063440 KK Annotated Reactive Cc1ccc(CSc2nnc(N3C(=O)C(=O)[C@@H](C(=O)c4cc5ccccc5o4)[C@@H]3c3ccccc3F)s2)cc1 ZINC000002160465 KK Annotated Anodyne Cc1ccc(CSc2nnc(N3C(=O)C(=O)[C@H](C(=O)c4cc5ccccc5o4)[C@H]3c3ccccc3F)s2)cc1 ZINC000002160476 KK Annotated Anodyne CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21 ZINC000002377414 KK Annotated Reactive CN(CCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000002478217 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002478224 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000002478230 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NC2CCCCC2)cc1OC ZINC000002478236 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCC2CCCCC2)cc1OC ZINC000002478238 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000002478240 KK Annotated Anodyne CN(CCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000002478335 KK Annotated Bother COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)c1OC ZINC000002478388 KK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)c(OC)c2OC)c1OC ZINC000002478396 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000002478411 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000002478421 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCc1cccc(OC)c1OC ZINC000002478440 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002478482 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002478520 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000002478532 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002478545 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)c1OC ZINC000002478547 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)c1 ZINC000002478549 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)cc(OC)c1 ZINC000002478551 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)cc1 ZINC000002478553 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002478555 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002478557 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)c(OC)c2OC)c1 ZINC000002479114 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000002479118 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002479936 KK Annotated Bother O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002479937 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002479939 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000002479940 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000002479941 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000002479944 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000002479946 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000002479948 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2Br)c1 ZINC000002479950 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000002479953 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002479955 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002479984 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1cccc(OC)c1OC ZINC000002479987 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2OC)c1 ZINC000002479991 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002479994 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl ZINC000002480024 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480045 KK Annotated Bother COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000002480047 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002480051 KK Annotated Bother O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480053 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480054 KK Annotated Bother O=C(NCCc1ccccc1F)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480098 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)ccc1OC ZINC000002480099 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(C(C)C)cc2)ccc1OC ZINC000002480110 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000002480126 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccccc2F)cc1OC ZINC000002480128 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000002480130 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002480132 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2ccccc2F)cc1OC ZINC000002480139 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCc1ccccc1F ZINC000002480160 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2OC)ccc1OC ZINC000002480163 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002480164 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(F)cc2Cl)ccc1OC ZINC000002480175 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000002480196 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)cc2F)ccc1OC ZINC000002480205 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1cc(Br)ccc1F ZINC000002480234 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2F)cc1OC ZINC000002480240 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002480258 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2Br)cc1OC ZINC000002480274 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002480339 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000002480349 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002480431 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002480455 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000002480512 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000002480561 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCc2cccc(OC)c2OC)cc1 ZINC000002480571 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(Br)ccc2F)cc1 ZINC000002480628 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(C(C)C)cc3)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002480642 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000002480659 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000002480667 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000002480670 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002480672 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(Br)ccc2F)ccc1OC ZINC000002480775 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(Br)ccc2F)cc1 ZINC000002480776 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000002480809 KK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002480811 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002480834 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000002480950 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002481268 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002481270 KK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(-c3ccccc3)cc2)c1OC ZINC000002481272 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2F)cc1 ZINC000002481283 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1F ZINC000002481293 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1F ZINC000002481294 KK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2F)c1OC ZINC000002481296 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000002481351 KK Annotated Bother O=C(NCCOc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002481354 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCOc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002481359 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000002481365 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002481451 KK Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481453 KK Annotated Bother O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481455 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2Cl)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002481503 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(-c3ccccc3)cc2)c1OC ZINC000002481504 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2F)c1OC ZINC000002481515 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2F)cc1 ZINC000002481519 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(C(C)C)cc2)c1OC ZINC000002481535 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002481563 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000002481567 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000002481575 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000002481578 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000002481579 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000002481581 KK Annotated Bother COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002481606 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCc1cccc(OC)c1OC ZINC000002481610 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002481617 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481682 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002481690 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481694 KK Annotated Bother COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)cc2F)c1OC ZINC000002481700 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2F)ccc1OC ZINC000002481775 KK Annotated Anodyne O=C(NCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1F ZINC000002481793 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(C(C)C)cc2)ccc1OC ZINC000002481801 KK Annotated Anodyne COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000002481851 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(Br)ccc2OC)ccc1OC ZINC000002481887 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(F)cc2Cl)ccc1OC ZINC000002481913 KK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000002481925 KK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002481940 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000002481941 KK Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1F ZINC000002482001 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482047 KK Annotated Bother O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482162 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000002482172 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(Cl)cc2F)cc1OC ZINC000002482183 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482239 KK Annotated Anodyne CN(CCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F)c1ccccc1 ZINC000002482250 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000002482256 KK Annotated Anodyne CN(CCCNC(=O)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000002482288 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCCN(C)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000002482296 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000002482300 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NC2CCCCC2)cc1OC ZINC000002482304 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCC2CCCCC2)cc1OC ZINC000002482307 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000002482310 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccc(F)cc1 ZINC000002482328 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCCN(C)c1ccccc1 ZINC000002482336 KK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)c1OC ZINC000002482479 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000002482506 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000002482519 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCc1cccc(OC)c1OC ZINC000002482541 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002482592 KK Annotated Bother COc1cccc(CNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000002482594 KK Annotated Bother CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000002482633 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2F)noc1-c1ccc(-c2ccccc2)cc1 ZINC000002482638 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000002482647 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)c1OC ZINC000002482664 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)c1 ZINC000002482666 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)cc(OC)c1 ZINC000002482669 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)cc1 ZINC000002482671 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482673 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482675 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000002482678 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)c(OC)c2OC)c1OC ZINC000002482681 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)c(OC)c2OC)cc(OC)c1 ZINC000002482687 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482719 KK Annotated Bother O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482722 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002482725 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000002482727 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000002482729 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000002482731 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000002482733 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000002482736 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2Br)c1 ZINC000002482738 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000002482742 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002482744 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000002482748 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002482774 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1cccc(OC)c1OC ZINC000002482776 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2OC)c1 ZINC000002482779 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002482781 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482838 KK Annotated Bother COc1cccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000002482841 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000002482846 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002482851 KK Annotated Bother O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482854 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002482857 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F ZINC000002482878 KK Annotated Anodyne O=C(NCCc1ccccc1F)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000002482919 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)ccc1OC ZINC000002482921 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)cc1 ZINC000002482925 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(C(C)C)cc2)ccc1OC ZINC000002482947 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000002482970 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccccc2F)cc1OC ZINC000002482971 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000002482973 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002482976 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2F)cc1OC ZINC000002482982 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cccc3ccccc23)ccc1OC ZINC000002482990 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1ccccc1F ZINC000002483006 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2OC)ccc1OC ZINC000002483009 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002483012 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(F)cc2Cl)ccc1OC ZINC000002483030 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000002483054 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)cc2F)ccc1OC ZINC000002483069 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2F)cc1OC ZINC000002483122 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2Br)cc1OC ZINC000002483182 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002483256 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000002483262 KK Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000002483359 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCCN(C)c1ccccc1 ZINC000002483374 KK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002483571 KK Annotated Anodyne CC(C)(C)c1noc(-c2cc(Br)ccc2F)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000002483576 KK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000002483605 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002483607 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000002483617 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2OC)cc1 ZINC000002483619 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)ccc1OC ZINC000002483694 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000002483712 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2Br)cc1 ZINC000002483714 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2OC)ccc1OC ZINC000002483723 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000002483736 KK Annotated Bother COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002483957 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002483962 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002483963 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002483965 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002483966 KK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000002483979 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NC2CCCCC2)cc1OCc1ccccc1 ZINC000002483981 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002483982 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002483984 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002483985 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002483987 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCCc2ccc(F)cc2)cc1OCc1ccccc1 ZINC000002484022 KK Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484024 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002484029 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002484030 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002484032 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002484033 KK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002484047 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002484051 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002484053 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002484056 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002484059 KK Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484097 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484098 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484099 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484102 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484106 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484107 KK Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002484137 KK Annotated Anodyne COc1ccc(-c2noc(-c3cccc4ccccc34)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002484138 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cccc2ccccc12 ZINC000002484145 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cccc2ccccc12 ZINC000002484146 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484158 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484159 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484161 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484162 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002484164 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002484165 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484172 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484174 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCC(C)(C)CO)cc1OCc1ccccc1 ZINC000002484216 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H](C)C(C)C)cc1OCc1ccccc1 ZINC000002484264 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H](C)C(C)C)cc1OCc1ccccc1 ZINC000002484266 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@H](C)C(C)C)cc1OCc1ccccc1 ZINC000002484302 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)N[C@@H](C)C(C)C)cc1OCc1ccccc1 ZINC000002484304 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2)cc1OCc1ccccc1 ZINC000002484307 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccccc2F)cc1OCc1ccccc1 ZINC000002484310 KK Annotated Bother COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCCc2ccccc2F)cc1OCc1ccccc1 ZINC000002484361 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccc(F)cc2Cl)cc1 ZINC000002484363 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@H](C)C(C)C)cc1OCc1ccccc1 ZINC000002484367 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)N[C@@H](C)C(C)C)cc1OCc1ccccc1 ZINC000002484370 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2ccoc2)cc1 ZINC000002484378 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)NCc2ccccc2F)cc1OCc1ccccc1 ZINC000002484415 KK Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCC(C)C)cc1OCc1ccccc1 ZINC000002484467 KK Annotated Anodyne COCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1F ZINC000002484470 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCC(C)C)cc1OCc1ccccc1 ZINC000002484476 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCC(C)C)cc1OCc1ccccc1 ZINC000002484503 KK Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCO)cc1OCc1ccccc1 ZINC000002484531 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCC(C)C)cc1OCc1ccccc1 ZINC000002484555 KK Annotated Anodyne COCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(F)cc1Cl ZINC000002484557 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(F)cc3Cl)c2C(=O)NCCC(C)C)cc1OCc1ccccc1 ZINC000002484562 KK Annotated Anodyne COCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002484614 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl ZINC000002484714 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2c(F)cccc2Cl)ccc1OC ZINC000002484725 KK Annotated Anodyne COCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1c(F)cccc1Cl ZINC000002485781 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002485787 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OCc1ccccc1 ZINC000002485789 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002485791 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OCc1ccccc1 ZINC000002485794 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002485808 KK Annotated Anodyne COc1ccc(-c2noc(-c3c(F)cccc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OCc1ccccc1 ZINC000002485810 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1c(F)cccc1Cl ZINC000002485815 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1c(F)cccc1Cl ZINC000002485821 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)c(OCc4ccccc4)c3)noc2-c2c(F)cccc2Cl)cc1 ZINC000002485846 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002486575 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002486580 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002486622 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002486624 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002486635 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002486638 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486684 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486687 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000002486691 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000002486693 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000002486700 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000002486703 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002486705 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002486710 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486721 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486724 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002486726 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002486731 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002486732 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002486734 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486735 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486736 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486737 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486739 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002486742 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000002486751 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000002486753 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486757 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486760 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486762 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002486765 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000002486784 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000002486786 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002486788 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002486793 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002486861 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002486862 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002486865 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002486879 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002486881 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002486887 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002486890 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002486894 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002486897 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000002486903 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000002486905 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000002486906 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000002486909 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000002486911 KK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002486941 KK Annotated Anodyne CNC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002486944 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000002486958 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000002486973 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002486991 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002486994 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002486996 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002486999 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002487009 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002487013 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000002487016 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000002487019 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002487027 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002487030 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002487032 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002487036 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002487039 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002487042 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002487045 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002487049 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000002487052 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000002487055 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002487058 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002487061 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487063 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487067 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002487069 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002487072 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002487074 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002487075 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487078 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487081 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000002487083 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NCCCN3CCCC3=O)ccc2O1 ZINC000002487086 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000002487088 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000002487091 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000002487094 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000002487096 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487343 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000002487345 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002487378 KK Annotated Mild COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487500 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487503 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487535 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487542 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487587 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487589 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487642 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002487644 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487658 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002487660 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487673 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002487675 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002487736 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002487738 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002487740 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002487743 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002487793 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002487796 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002487799 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002487802 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002487886 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002487889 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002487892 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002487896 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002487899 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002487903 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000002487916 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000002487918 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000002487920 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1Cl ZINC000002487922 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002487931 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002487934 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002487936 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002487937 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002487949 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002487951 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002487953 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002487955 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002487964 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002487966 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002487969 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002487971 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487975 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487977 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487979 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002487982 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002487984 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002487987 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002487989 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002487991 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000002488028 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000002488029 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000002488030 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1Cl ZINC000002488031 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000002488045 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000002488048 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000002488050 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1Cl ZINC000002488053 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488055 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488057 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488060 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488062 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488064 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488066 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488069 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488071 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488073 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488075 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488078 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488080 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000002488083 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000002488086 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000002488088 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1Cl ZINC000002488091 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488228 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488231 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488235 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488236 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002488249 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002488251 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002488252 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002488254 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488260 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488291 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488293 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002488312 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002488315 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000002488322 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000002488324 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002488327 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002488329 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002488349 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000002488350 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488352 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488353 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002488355 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002488358 KK Annotated Mild Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002488360 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1Cl ZINC000002488362 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(S)=Nc1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002488363 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488365 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488367 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000002488383 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000002488385 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002488387 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002488388 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488400 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488401 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002488403 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002488405 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002488406 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002488408 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488415 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488416 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002488419 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002488421 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002488423 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002488425 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488439 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488442 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488445 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488447 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002488449 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002488452 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000002488457 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000002488460 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000002488462 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000002488466 KK Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002488480 KK Annotated Mild CC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002488482 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000002488485 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488486 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488487 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002488488 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002488489 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488491 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488492 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488495 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000002488497 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002488500 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002488503 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488505 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488508 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488510 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488513 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488515 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000002488518 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002488521 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000002488524 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488528 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488532 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488537 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488540 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488548 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000002488551 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488552 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000002488554 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000002488577 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000002488580 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000002488603 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000002488606 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002488624 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002488626 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488646 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488649 KK Annotated Mild Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002488713 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002488716 KK Annotated Anodyne C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002488728 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000002488733 KK Annotated Mild CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488738 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488740 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000002488743 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000002488745 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000002488747 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000002488749 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488761 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488763 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488765 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488767 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488770 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488771 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488772 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488774 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488777 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488778 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488782 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488812 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488817 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488820 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002488831 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002488833 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000002488837 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488840 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000002488866 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002488878 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488896 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488899 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002488902 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002488907 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000002488921 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488923 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000002488924 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002488946 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002488950 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002488951 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002488979 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002488982 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002488986 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002488990 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002489003 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002489007 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000002489016 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000002489018 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489024 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489026 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489065 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489068 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002489070 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002489073 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489075 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489078 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000002489108 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000002489114 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000002489118 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002489121 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002489123 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002489127 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002489130 KK Annotated Anodyne C/N=C(\S)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002489131 KK Annotated Mild Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000002489133 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002489134 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002489136 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489142 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489144 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000002489145 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000002489146 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489148 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489149 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002489151 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002489152 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000002489158 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000002489160 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489161 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489162 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489168 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489169 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002489171 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002489172 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000002489173 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000002489175 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002489176 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002489178 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000002489179 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000002489180 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002489182 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000002489183 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489184 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489185 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489187 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489188 KK Annotated Anodyne O=C(NCc1ccccc1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489189 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002489191 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000002489192 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489194 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489195 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489196 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489198 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002489199 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002489201 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489202 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489204 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489206 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002489208 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002489209 KK Annotated Anodyne O=C(NCc1ccccc1F)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002489210 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489212 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489213 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489215 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489216 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489259 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002489261 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489290 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000002489291 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489374 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489376 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489405 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489407 KK Annotated Anodyne CNC(=S)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489413 KK Annotated Anodyne CNC(=S)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489414 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489428 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489429 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489438 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002489441 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489442 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002489445 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489448 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002489450 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489473 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489474 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489475 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489478 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489507 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489509 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489510 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCCCC1 ZINC000002489511 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002489535 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002489540 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002489541 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000002489543 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002489548 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002489550 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002489552 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002489555 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002489606 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002489608 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002489639 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000002489643 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489644 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002489646 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002489664 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002489665 KK Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000002489668 KK Annotated Mild Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000002489670 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000002489672 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002489674 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002489676 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489679 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002489681 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002489698 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002489700 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491049 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491051 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491057 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491060 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002491062 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002491065 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002491076 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002491080 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491086 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491088 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491094 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491096 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000002491103 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000002491105 KK Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000002491108 KK Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000002491109 KK Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000002491119 KK Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000002491121 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002491138 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002491141 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000002491146 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N/C)CC1(CCCCC1)O2 ZINC000002491151 KK Annotated Mild CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002491161 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000002491163 KK Annotated Anodyne CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000002491192 KK Annotated Mild CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002491194 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002491197 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002491267 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000002491276 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491301 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491305 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2 ZINC000002491314 KK Annotated Anodyne O=C(N[C@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2 ZINC000002491317 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2 ZINC000002491319 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2 ZINC000002491322 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002491324 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000002491325 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002491327 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000002491328 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002491339 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002491341 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002491372 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000002491376 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002491392 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000002491395 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000002491397 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000002491402 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002491405 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000002491407 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002491429 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002491431 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002491435 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000002491437 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002491439 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002491442 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002491445 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000002491448 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491456 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000002491460 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002491468 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000002491472 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491479 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491483 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491486 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000002491488 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002491491 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000002491494 KK Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000002491498 KK Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000002491500 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000002491526 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000002491583 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000002491593 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000002491595 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002491891 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002491892 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002491900 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002491902 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002491905 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002491910 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002492047 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002492050 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002492053 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002492056 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492085 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492092 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492120 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492121 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002492122 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002492124 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002492145 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000002492147 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002492151 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000002492154 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492182 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492184 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492187 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492189 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002492192 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000002492194 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492237 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492240 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492241 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492243 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492245 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492247 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492313 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000002492316 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492334 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492335 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492354 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492356 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492357 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492359 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492360 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492362 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492363 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492365 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492378 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492380 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492382 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492385 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492396 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492397 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492399 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492401 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002492403 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002492405 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492408 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492411 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492415 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492416 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492418 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000002492420 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492422 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492424 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492425 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000002492427 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492436 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492439 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000002492453 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000002492455 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492466 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492468 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492470 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492472 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492473 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492475 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492477 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492480 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002492482 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000002492484 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492486 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492488 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492491 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000002492494 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002492495 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000002492496 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492498 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492499 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492504 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492505 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492510 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000002492514 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492534 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492537 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492539 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492541 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492561 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492563 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492566 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492568 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492572 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492574 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492577 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492579 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492589 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492592 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000002492594 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000002492614 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492660 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000002492662 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000002492686 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000002492689 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492735 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(N)=O)cc21 ZINC000002492736 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000002492913 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000002493113 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002493116 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000002493126 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000002493201 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000002493236 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H]2CCc3ccccc32)cc1OC ZINC000002493291 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000002493298 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000002493310 KK Annotated Anodyne O=C(c1ccc2c(=O)n(CCc3ccccc3)c(SCc3cccc([N+](=O)[O-])c3)nc2c1)N1CCCC1 ZINC000020102088 KK Annotated Anodyne O=c1c2ccc(/C(O)=N/Cc3ccccc3)cc2nc(SCc2nc3ccccc3[nH]2)n1C1CCCCC1 ZINC000020102096 KK Annotated Mild CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000020324693 KK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(O)C[C@H](c3ccco3)CC2=N1 ZINC000020324706 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2Oc2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000020405900 KK Annotated Anodyne O=C1C[C@H](c2ccccc2Oc2cccc(Cl)c2)[C@@H](n2cncn2)C(=O)[C@H]1[C@@H]1NCCc2ccccc21 ZINC000020405901 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(COO)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000200009177 KK Annotated Reactive CC[C@H](C)[C@@H]1NC(=O)[C@@H]([C@H](C)CC)NC(=O)CC(=O)[C@H](C)[C@H](/C=C(\C)C[C@H](C)C/C(C)=C/c2cnco2)OC1=O ZINC000200020557 KK Annotated Anodyne CCC[C@@H](C)C(=O)/C(C)=C/[C@@H](C)/C=C(C)/C=C(C)/C=C(\C)C[C@@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C ZINC000200101886 KK Annotated Mild CCC[C@@H](CO)C(=O)/C(C)=C/[C@@H](C)/C=C(C)/C=C(C)/C=C(\C)C[C@@H](C)/C=C(\C)c1oc(=O)c(C)c(O)c1C ZINC000200102033 KK Annotated Mild C/C(=C/CC(=O)O)CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O ZINC000200119978 KK Annotated Anodyne C/C(=C/CC(=O)O)CCC[C@@](C)(O)C(=O)CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)ccc1O ZINC000200120025 KK Annotated Anodyne CCOC(=O)[C@H](Nc1cc(Br)ccc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000200132770 KK Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(Br)ccc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000200132803 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)cc(C)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000200191529 KK Annotated Bother O=C(COc1ccccc1-c1nc(N(CC(=O)NCc2ccccc2)c2ccc3[nH]ncc3c2)c2ccccc2n1)NCc1ccccc1 ZINC000200271657 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NCCCc2ccc3c(c2)[C@]2(CCC[C@@H](OCc4ccccc4)[C@@H]2NC(=O)CCc2ccccc2)C(=O)N3Cc2ccccc2)cc1 ZINC000200344249 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@H]3[C@@H]([C@@H]4OC4(C)C)[C@](CC=C(C)C)(C(=O)[C@@](C(=O)c4ccccc4)(C1=O)C3(C)C)C2=O ZINC000200469138 KK Annotated Mild Brc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Br)c6)c5c4)cc32)c1 ZINC000200474779 KK Annotated Anodyne FC(F)(F)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(C(F)(F)F)cc6)c5c4)cc32)cc1 ZINC000200474870 KK Annotated Anodyne FC(F)(F)c1ccccc1Cn1ccc2ccc(-c3ccc4ccn(Cc5ccccc5C(F)(F)F)c4c3)cc21 ZINC000200475072 KK Annotated Anodyne FC(F)(F)Oc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(OC(F)(F)F)c6)c5c4)cc32)c1 ZINC000200475122 KK Annotated Anodyne COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6OC)c5c4)cc32)c1 ZINC000200476578 KK Annotated Anodyne COC(=O)c1cccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6cccc(OC)c6)c5c4)cc32)c1 ZINC000200476622 KK Annotated Anodyne COC(=O)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(C(=O)c6ccccc6OC)c5c4)cc32)cc1 ZINC000200478371 KK Annotated Anodyne COC(=O)c1ccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6ccc(C(=O)OC)cc6)c5c4)cc32)cc1 ZINC000200479298 KK Annotated Anodyne c1ccc2cc(Cn3ccc4ccc(-c5ccc6ccn(Cc7ccc8ccccc8c7)c6c5)cc43)ccc2c1 ZINC000200479449 KK Annotated Anodyne O=C(NCc1c(Br)c(O)c(O)c(Br)c1Br)NCc1c(Br)c(O)c(O)c(Br)c1Br ZINC000200555894 KK Annotated Clean CC(=O)C[C@]1(O)C(=O)C2=C(O[C@@H]3Oc4c5c(cc(C(C)C)c4O[C@]23C)[C@@H]2C[C@H]3C(C)(C)CCC[C@@]3(C5)O2)c2ccc3c(C)cccc3c21 ZINC000200556080 KK Annotated Mild CC1(C)C=Cc2c(O)cc(-c3cc4ccc(O)cc4o3)c([C@@H]3CC(C)(C)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c43)c2O1 ZINC000200652485 KK Annotated Anodyne CC(C)[C@H](C/C=C\C[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000200715666 KK Annotated Anodyne CC1=C[C@@H]2c3c(cc4oc(-c5ccc(O)cc5O)cc(=O)c4c3O)O[C@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000200729894 KK Annotated Anodyne CC1=C[C@H](c2c(O)cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000200729946 KK Annotated Anodyne CC1=C[C@H](c2c(O)cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)[C@H](C(=O)c2ccc(O)c(C/C=C(\C)CO)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000200729988 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc4oc(-c5ccc(O)cc5O)cc(=O)c4c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000200730025 KK Annotated Anodyne CC(C)(C)OC(=O)N1[C@H](C[C@@H](CCCOS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C ZINC000200809377 KK Annotated Reactive CC(C)(C)OC(=O)N1[C@H](C[C@H](CCCOS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C ZINC000200809413 KK Annotated Reactive CC(C)(C)OC(=O)N1[C@@H](C[C@H](CCCOS(C)(=O)=O)CO[Si](C)(C)C(C)(C)C)COC1(C)C ZINC000200809445 KK Annotated Reactive CC(C)=CCC1=C2OC(C)(C)[C@H](O)[C@H]3C=C(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)c1ccccc1 ZINC000200887375 KK Annotated Mild COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1cccc(Br)c1 ZINC000200890555 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(Cc2ccccc2)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200890612 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2cc(Br)ccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200890660 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(-c2ccccc2)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200890864 KK Annotated Anodyne COC(=O)[C@](c1ccc(Br)cc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000200891067 KK Annotated Anodyne O=C1C=C2[C@H]3c4c(cc(O)cc4[C@@H]4c5c(O)cc(O)cc5[C@H]5[C@H](c6ccc(O)cc6)[C@H]1C(=O)[C@]25[C@@H]4c1ccc(O)cc1)O[C@@H]3c1ccc(O)cc1 ZINC000200899211 KK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]1(C)CCC(=O)O ZINC000200945593 KK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]1(C)CCC(=O)OC ZINC000200945644 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(O)c([C@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)c(CC=C(C)C)c3OC)c2O)c(OC)c1 ZINC000200961456 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000201062825 KK Annotated Anodyne COc1ccc([C@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csc(-c3ccccc3)n2)cc1OC ZINC000201468713 KK Annotated Anodyne COc1ccc([C@@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csc(-c3ccccc3)n2)cc1OC ZINC000201468751 KK Annotated Anodyne C=Cc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@@H](C(=O)N(C)C2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000201468790 KK Annotated Anodyne C=Cc1ccc(C(=O)N(Cc2ccc(F)cc2)[C@H](C(=O)N(C)C2CCCC2)c2ccc(OC)c(OC)c2)cc1 ZINC000201468818 KK Annotated Anodyne COc1ccc([C@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)cc1OC ZINC000201468863 KK Annotated Anodyne COc1ccc([C@@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)cc1OC ZINC000201468898 KK Annotated Anodyne COc1ccc([C@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csc3ccc(Cl)cc23)cc1OC ZINC000201469102 KK Annotated Anodyne COc1ccc([C@@H](C(=O)N(C)C2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2csc3ccc(Cl)cc23)cc1OC ZINC000201469137 KK Annotated Anodyne COc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 ZINC000201473533 KK Annotated Anodyne COc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 ZINC000201473569 KK Annotated Anodyne COC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc2)o1 ZINC000201475881 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000201477534 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201477819 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201477922 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201478065 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201478117 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201478168 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201478214 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201478259 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201478310 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201478366 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201478409 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201478502 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201478553 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201478703 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201478750 KK Annotated Anodyne CCOC(=O)[C@@]12CN(C(=O)OC(C)(C)C)CC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000201479573 KK Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCC1CCCCC1 ZINC000201480916 KK Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12 ZINC000201480961 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000201481305 KK Annotated Anodyne O=C(NC1=N[C@@]2(C=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)[C@H](Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 ZINC000201482254 KK Annotated Anodyne O=C(NC1=N[C@@]2(C=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)[C@H](Cc2ccccc2)N1Cc1ccccc1)c1ccccc1 ZINC000201482288 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000201484026 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000201484079 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000201484129 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000201484176 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201484376 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201484479 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201484634 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201484737 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201484787 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000201484833 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201484991 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485039 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201485181 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201485229 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000201485286 KK Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485436 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485535 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485582 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000201485672 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000201490302 KK Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCc2ccccc2)c2cc(OC)c(OC)cc12 ZINC000201595422 KK Annotated Anodyne CCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCC(F)(F)F)c2cc(OC)c(OC)cc12 ZINC000201595463 KK Annotated Anodyne COc1ccc2nc(NCC(F)(F)F)c(Cc3c(=O)[nH]c(C(C)C)c4cc(OC)c(OC)cc34)cc2c1 ZINC000201599513 KK Annotated Anodyne CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCC(F)(F)F)c2cc(OC)c(OC)cc12 ZINC000201602474 KK Annotated Anodyne COc1cc2c(cc1O)C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 ZINC000201664380 KK Annotated Anodyne COc1cc2c(cc1O)C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 ZINC000201668127 KK Annotated Anodyne COc1cc2c(cc1O)C=C[C@@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2 ZINC000201668159 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c5c3[C@H]([C@@H]2c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000201675164 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@@H](C[C@]23C[C@H]4C(=C[C@H]2Nc2ccccc23)CC[C@H]2C(C)(C)CCC[C@@]24C)C(=O)N1C ZINC000201676705 KK Annotated Anodyne COc1ccc(N2C(=O)c3c(cc(OC/C=C(\C)CCC=C(C)C)c(C)c3OC)[C@H]2C)c(OCC=C(C)C)c1 ZINC000201679792 KK Annotated Anodyne COc1ccc(N2C(=O)c3c(cc(OC/C=C(\C)CCC=C(C)C)c(C)c3OC)[C@@H]2C)c(OCC=C(C)C)c1 ZINC000201683717 KK Annotated Anodyne CC[C@@]12C=CCN3CCC(=O)c4ccccc4N(C(=O)[C@@H]31)[C@@H](c1cc3c(cc1OC)NC1=C(C(=O)OC)C[C@]4(CC)C=CCN5CC[C@@]13[C@@H]54)C2 ZINC000201687128 KK Annotated Anodyne CC[C@@H](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@](O)(Cc2ccc(O)cc2)NC1=O ZINC000201974725 KK Annotated Mild C[C@H](NC(=O)c1ccccc1[C@@H]1n2c(=O)c3ccccc3c(=O)n2[C@@H](c2ccccc2C(=O)N[C@H](C)c2ccccc2)P1c1ccccc1)c1ccccc1 ZINC000201988904 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c(C(C)=O)c(O)c3c2OC(C)(C)[C@H](O)C3)c(O)c1C(C)=O ZINC000202186290 KK Annotated Anodyne COc1c(CC=C(C)C)c(O)c([C@H](CC(C)C)c2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)[C@H](O)C3)c(O)c1C(C)=O ZINC000202186449 KK Annotated Anodyne C/C=C\CCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000202206363 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCc1cc(O)cc(O)c1C1=C(CCCCCCCCCCCCCCC)C(=O)C(OC)=CC1=O ZINC000202230442 KK Annotated Mild C=C(C)[C@H]1CC[C@@H]([C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C2=O)c2oc4cc(O)c(O)cc4c(=O)c2C3=O)C1(C)C ZINC000202304099 KK Annotated Mild CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(CC)C(=O)C3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000202404656 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(CC)C(=O)C3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000202404685 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(CC)C(=O)C3CCN(C(C)=O)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000202404707 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(CC)C(=O)C3CCN(C(C)=O)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000202404731 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@H](C)N3CCS(=O)(=O)CC3)cc1)C(=O)C2 ZINC000202412374 KK Annotated Anodyne Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2c(C)sc(C)c2C2=C(P(c3ccccc3)c3ccccc3)[C@H]3CC[C@@]2(C)C3(C)C)c1 ZINC000202548219 KK Annotated Reactive COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c(N3CCC(c4cnc([C@@H]5CCCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)CC3)c(F)c2)[nH]1)C(C)C ZINC000202691106 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c(N3CCC(c4cnc([C@@H]5COCCN5C(=O)[C@H](NC(=O)OC)c5ccccc5)[nH]4)CC3)c(F)c2)[nH]1)c1ccccc1 ZINC000202691148 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@H](c1ncc(C2CCN(c3c(F)cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3F)CC2)[nH]1)C(C)C)C(C)C ZINC000202691426 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1ncc(C2CCN(c3c(F)cc(-c4cnc([C@@H]5COCCN5C(=O)[C@H](NC(=O)OC)c5ccccc5)[nH]4)cc3F)CC2)[nH]1)c1ccccc1 ZINC000202699131 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](C)c1ncc(-c2cc(F)c(N3CCC(c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)CC3)c(F)c2)[nH]1)C(C)C ZINC000202700448 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c(N3CCC(C)(c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)CC3)c(F)c2)[nH]1)C(C)C ZINC000202701429 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](C)c1ncc(C2CCN(c3c(F)cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3F)CC2)[nH]1)C(C)C ZINC000202702703 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N(C)[C@@H](C)c1ncc(C2CCN(c3c(F)cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3F)CC2)[nH]1)C(C)C ZINC000202702784 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](OC)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@@H](OC)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000202793827 KK Annotated Anodyne C=C1CC[C@@H]2C(C)=CC[C@H]([C@H](C)COC(=O)CC[C@H]3C(=C(C)C)CC[C@H](C)[C@]3(C)COc3ccc4ccc(=O)oc4c3)[C@H]2C1 ZINC000202800870 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](OC)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](OC)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000202802014 KK Annotated Anodyne CCCC[C@H]1CCCCC[C@@H](C)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCCCC[C@@H](C)C2=CC(=O)C1=C(O)C2=O ZINC000203267729 KK Annotated Mild CCCCCC(=O)O[C@H]1c2cc(O)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C ZINC000203318393 KK Annotated Anodyne OCc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@H]2c1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1O)[C@H]2c1cc(O)cc(O)c1 ZINC000203395595 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)NCc1cccc2ccccc12 ZINC000203455864 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457014 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457032 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457108 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457124 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457134 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457143 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457151 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457173 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457182 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457189 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203457196 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457204 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457210 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457219 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457226 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457240 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203457249 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457255 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457276 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457286 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457289 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457294 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457320 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457329 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203457341 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457356 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457717 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457728 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457746 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)(C)C)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203457756 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457766 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203457792 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457809 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457837 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457854 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457868 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457973 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203457987 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458084 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458102 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458118 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458162 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000203458177 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458322 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458342 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458354 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458364 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458373 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458382 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(CCC2=CCCCC2)C1=O ZINC000203458411 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458420 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458428 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458503 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458509 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458514 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458543 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458556 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458564 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458575 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458584 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458592 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458600 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458606 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203458614 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458625 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458632 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458641 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203458656 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203458665 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203458935 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203458966 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203458989 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459066 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459130 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459151 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459161 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459170 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459179 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459199 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCC)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459208 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459217 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459226 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203459237 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459249 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCC(C)C)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459338 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459345 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459355 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCC(c3ccccc3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459377 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459386 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCSCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459393 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccccc2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459400 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459407 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459418 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459434 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459442 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459468 KK Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459547 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459588 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc4c(c3)OCO4)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459603 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459698 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459710 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459728 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccco3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459765 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459855 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459867 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459875 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459885 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459902 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459928 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459938 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459948 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203459965 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(CCC2=CCCCC2)C1=O ZINC000203459978 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460108 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460116 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460124 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](CC(=O)N2CCCC2)C[C@@]2(C(=O)OC)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460144 KK Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccco3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460182 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccco3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460195 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccco3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460211 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccco3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460243 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccco3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460259 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460335 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460355 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460365 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460376 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460384 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460389 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460400 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460407 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460411 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203460415 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460422 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460431 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460439 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460451 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460470 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2cccc3ccccc23)C1=O ZINC000203460481 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460491 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460516 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460526 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460574 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460590 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460639 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460699 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460718 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460727 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460735 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460743 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460758 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460765 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203460771 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460777 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460784 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460790 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460805 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](COCc3ccccc3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203460812 KK Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](COCc4ccccc4)O[C@@H]3C)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000203460825 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203460832 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461309 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461326 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461345 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461395 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccccc3)C1=C[C@H](COCc1ccccc1)O[C@@H]2C ZINC000203461414 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461512 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461528 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461534 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461543 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461552 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461561 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461578 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461588 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461593 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203461598 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461602 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461606 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461611 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461616 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461664 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203461672 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461680 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461693 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461712 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461733 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461743 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461751 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461771 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461778 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2cccc3ccccc23)C1=O ZINC000203461785 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461792 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461799 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461805 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C(C)C)O[C@@H]2C2CC2)N(Cc2cccc3ccccc23)C1=O ZINC000203461816 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=C[C@H](C(C)C)O[C@@H]2C1CC1 ZINC000203461825 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203461876 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203461890 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccco3)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203461954 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462002 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCC(C)C)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462019 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462028 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462034 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462040 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462050 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCSCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462055 KK Annotated Anodyne CCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203462062 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462070 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462081 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462092 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462102 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462120 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@H]1C[C@@]2(C(=O)OC)C(=C[C@H](C3CCCC3)O[C@@H]2C)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000203462127 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462134 KK Annotated Anodyne CCOC(=O)N1CCN(C(=O)C[C@H]2C[C@@]3(C(=O)OC)C(=C[C@H](C4CCCC4)O[C@@H]3C)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000203462151 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)N3CCCC3)C(=O)N(Cc3ccc(Cl)cc3Cl)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000203462155 KK Annotated Anodyne COc1ccc([C@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000203463282 KK Annotated Anodyne COc1cc([C@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000203463290 KK Annotated Anodyne COC(=O)[C@H]1C[C@@]2(Oc3ccc(Br)cc3)c3ccccc3N(C(=O)OC(C)(C)C)[C@H]2N1C(=O)OC(C)(C)C ZINC000203463821 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCC1CCCCC1 ZINC000203464344 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12 ZINC000203464376 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203464394 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000203464410 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203464445 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203464460 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCC1CCCCC1 ZINC000203464534 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCC(C)C ZINC000203464550 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccs1 ZINC000203464557 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12 ZINC000203464565 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(OC)c(OC)c1 ZINC000203464573 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203464583 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000203464600 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccccc1 ZINC000203464632 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203464640 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCc1ccccc1OC ZINC000203464646 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203464653 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1ccc(C)o1 ZINC000203464667 KK Annotated Anodyne CCOC(=O)[C@]12CCCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCCCC1 ZINC000203464674 KK Annotated Anodyne CCOC(=O)[C@@]12CN(C(=O)OC(C)(C)C)CC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1cccc2ccccc12 ZINC000203464964 KK Annotated Anodyne CCOC(=O)[C@@]12CN(C(=O)OC(C)(C)C)CC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203464976 KK Annotated Anodyne CCOC(=O)[C@@]12CN(C(=O)OC(C)(C)C)CC=C1N(Cc1ccc(OC)cc1)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203465021 KK Annotated Anodyne C=CC[C@H]1c2ccccc2[C@H]2N3N=Cc4ccccc4[C@H]3[C@H](CCCC)C(=O)N2N1C(=O)NCc1ccccc1 ZINC000203465071 KK Annotated Mild CCCC[C@@H]1C(=O)N2N=C(c3ccccc3)c3ccccc3[C@H]2N2N=C(c3ccccc3)c3ccccc3[C@@H]12 ZINC000203465125 KK Annotated Anodyne C=CC[C@H]1c2ccccc2[C@H]2N3N=Cc4ccccc4[C@H]3[C@H](CCCC)C(=O)N2N1C(=O)c1ccccc1 ZINC000203465161 KK Annotated Mild C=CC[C@H]1c2ccccc2[C@H]2N3N=Cc4ccccc4[C@H]3[C@H](CCc3ccccc3)C(=O)N2N1C(=O)c1ccccc1 ZINC000203465192 KK Annotated Mild C=CC[C@@H]1NN2C(=O)[C@@H](CCCC)[C@@H]3c4cc5ccccc5cc4C=NN3[C@@H]2c2cc3ccccc3cc21 ZINC000203465200 KK Annotated Mild O=C1[C@@H](CCc2ccccc2)[C@@H]2c3cc4ccccc4cc3C=NN2[C@@H]2c3cc4ccccc4cc3C=NN12 ZINC000203465218 KK Annotated Anodyne COc1ccc(C(=O)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6ccccc6)c5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000203467309 KK Annotated Anodyne C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6cccc(F)c6)c5c4CCN3C(=O)[C@@H]12 ZINC000203467425 KK Annotated Anodyne C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5cccc(-c6cccc(F)c6)c5c4CCN3C(=O)[C@@H]12 ZINC000203467431 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)OCc1ccccc1 ZINC000203467464 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccccc1 ZINC000203467481 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000203467487 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=S)NCCc1ccccc1 ZINC000203467506 KK Annotated Anodyne Cc1ccccc1NC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccc6c(c5)OCO6)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203467515 KK Annotated Anodyne Cc1ccccc1NC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccccc5)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203467549 KK Annotated Anodyne Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4c(-c5ccc6c(c5)OCO6)cccc4c3CCN2C[C@H]1[C@H](C)O ZINC000203467566 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccc6c(c5)OCO6)cccc34)[C@@H]2C[C@@H]1N(C)C(=O)c1ccccc1F ZINC000203467575 KK Annotated Anodyne Cc1ccc(C(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc7c(c6)OCO7)cccc5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000203467582 KK Annotated Anodyne C[C@@H]1O[C@@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc7c(c6)OCO7)cccc5c4CCN3C[C@@H]12 ZINC000203467592 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4c(-c5ccccc5)cccc34)[C@@H]2C[C@@H]1N(C)C(=S)Nc1ccc(C#N)cc1 ZINC000203467636 KK Annotated Mild Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)Nc3ccccc3)[C@H]([C@H](C)O)C(=O)N2CC4)c1 ZINC000203468634 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)NC3CCCCC3)[C@H]([C@H](C)O)C(=O)N2CC4)c1 ZINC000203468641 KK Annotated Anodyne COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6cccc(C)c6)cccc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000203468661 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)Nc3ccccc3C)[C@H]([C@H](C)O)C(=O)N2CC4)c1 ZINC000203468668 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)c3ccccc3C)[C@H]([C@H](C)O)C(=O)N2CC4)c1 ZINC000203468682 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)Nc3ccccc3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468720 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)NC3CCCCC3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468725 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)Nc3ccccc3C)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468739 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=S)NCCc3ccccc3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468756 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=S)Nc3ccc(C#N)cc3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468762 KK Annotated Mild Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)c3ccccc3C)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468776 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)c3ccccc3F)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468786 KK Annotated Anodyne Cc1ccc(C(=O)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6cccc(C)c6)cccc5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000203468792 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)c3cccc(Cl)c3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468811 KK Annotated Anodyne Cc1cccc(-c2cccc3c4c([nH]c23)[C@@H]2C[C@H](N(C)C(=O)OCc3ccccc3)[C@H]([C@H](C)O)CN2CC4)c1 ZINC000203468829 KK Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203469354 KK Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)N1CCC(c2ccccc2)CC1 ZINC000203469370 KK Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203469398 KK Annotated Anodyne CCOC(=O)[C@@]12CCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203469404 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203469881 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(C(=O)CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203469887 KK Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)[C@]2(CC(=O)N(CC(C)C)[C@@H]2c2ccccc2)C(=O)N3C)cc1Cl ZINC000203470159 KK Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc3c(c2)[C@]2(CC(=O)N(CC(C)C)[C@H]2c2ccccc2)C(=O)N3C)cc1Cl ZINC000203470164 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470280 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccccc3OC)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470318 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccc4c(ccn4C)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470323 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470459 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470484 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(C(C)=O)CC3)CC(=O)N(C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470785 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470790 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470916 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCN(c4ncccn4)CC3)CC(=O)N(c3ccc4ccccc4c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470942 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000203470972 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNCC(=O)N1c2ccccc2[C@]2(C)C[C@@H]3C(=O)N(C/C=C(\C)CCC=C(C)C)CC(=O)N3[C@H]12 ZINC000203471000 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1CC(=O)N2[C@H](C[C@@]3(n4ccc5ccccc54)c4ccccc4N(S(=O)(=O)c4ccccc4)[C@@H]23)C1=O ZINC000203471069 KK Annotated Anodyne COC(=O)[C@@H]1C[C@@]2(c3ccccc3)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1C(=O)CNC/C=C(\C)CCC=C(C)C ZINC000203471114 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNCC(=O)N1c2ccccc2[C@]2(c3ccccc3)C[C@@H]3C(=O)N(C/C=C(\C)CCC=C(C)C)CC(=O)N3[C@H]12 ZINC000203471148 KK Annotated Anodyne CCCC/C=C1/[C@@H](c2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C2=N[C@@H](c3ccccc3)CC(=O)N21 ZINC000203471759 KK Annotated Anodyne CCCC/C=C1/[C@H](c2ccc(Cl)cc2)N(Cc2ccc3c(c2)OCO3)C2=N[C@H](c3ccccc3)CC(=O)N21 ZINC000203471764 KK Annotated Anodyne COc1ccc(CN2C3=N[C@H](c4ccccc4)CC(=O)N3/C(=C\c3ccccc3)[C@H]2c2ccco2)c(OC)c1 ZINC000203471832 KK Annotated Anodyne COc1ccc(CN2C3=N[C@H](c4ccccc4)CC(=O)N3/C(=C\c3ccccc3)[C@@H]2c2ccco2)c(OC)c1 ZINC000203471854 KK Annotated Anodyne COc1ccc(CN2C/C(=C/c3ccccc3)N3C(=O)C[C@@H](c4ccc5ccccc5c4)N=C23)c(OC)c1 ZINC000203471928 KK Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCC1CCCCC1 ZINC000203472259 KK Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000203472281 KK Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCCCCc1ccccc1 ZINC000203472293 KK Annotated Anodyne COC(=O)[C@@]12CCCCC=C1N(CCc1ccc(Cl)cc1)C(=O)[C@H]2CC(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000203472304 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cc(F)ccc3F)CC[C@@H]21 ZINC000203473478 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000203473487 KK Annotated Anodyne Cc1ccccc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)Nc4ccccc4)cc3C(=O)N2C)O1 ZINC000203473492 KK Annotated Anodyne CCN(C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1c1nc(C)c(C)s1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000203473710 KK Annotated Bother CC(C)(C)c1ccc(-c2cn(C[C@H](Cc3ccccc3)n3c(=O)c4ccccc4n3Cc3ccno3)nn2)cc1 ZINC000203473883 KK Annotated Anodyne O=c1c2ccccc2n(Cc2ccno2)n1[C@@H](Cc1ccccc1)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000203473888 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn(C[C@H](Cc3ccccc3)n3c(=O)c4ccccc4n3Cc3ccco3)nn2)cc1 ZINC000203473900 KK Annotated Anodyne O=c1c2ccccc2n(Cc2ccco2)n1[C@@H](Cc1ccccc1)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000203473905 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn(C[C@H](Cc3ccccc3)n3c(=O)c4ccccc4n3Cc3ccccc3)nn2)cc1 ZINC000203473915 KK Annotated Anodyne O=c1c2ccccc2n(Cc2ccccc2)n1[C@@H](Cc1ccccc1)Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1 ZINC000203473922 KK Annotated Anodyne C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2CC=C(CCC=C(C)C)C[C@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000203552618 KK Annotated Mild C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2CC(CCC=C(C)C)=CC[C@]2(C)C(=O)O)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C ZINC000203552635 KK Annotated Mild O=S(=O)(Nc1ccc(OCCC2CCOCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnc(C(F)(F)F)nc1)C2 ZINC000203661430 KK Annotated Anodyne Cc1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000203662693 KK Annotated Clean COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCNC(=O)C4)CC3)cn1)C(=O)C2 ZINC000203662926 KK Annotated Anodyne C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(Oc4c(O)ccc5c4C[C@]4(C)[C@@H](C)CC[C@H]6C(C)(C)CCC[C@]64O5)cc2C[C@]13C ZINC000203704093 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H]3[C@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C(=O)[C@](CC=C(C)C)(C1=O)C3(C)C)C2=O ZINC000203716791 KK Annotated Mild CCCCCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000203744297 KK Annotated Mild O=C(NCCOCCOCCNc1nc(Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nc(Nc2ccc(O)c(F)c2)n1)c1ccccc1 ZINC000203754972 KK Annotated Anodyne CCCCCCNC(=O)c1ccc(Nc2nc(NCCOCCOCCNC(=O)c3ccccc3)nc(Nc3ccc4[nH]ncc4c3)n2)cc1 ZINC000203754984 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1cccc(Cl)c1)c1nc-2c(Cl)[nH]1 ZINC000203916687 KK Annotated Anodyne CCOC(=O)[C@@H]1CCCC[C@H](NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(NC(=O)OCCOC)cc2N1 ZINC000203924548 KK Annotated Anodyne COC(=O)Nc1cc2c(cc1Cl)-c1nc([nH]c1Cl)[C@@H](NC(=O)c1c(F)cc3c(cnn3C)c1F)CCC[C@H](C)C(=O)N2 ZINC000203929599 KK Annotated Anodyne CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CCN(C)C4(CC4)C3)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000203955167 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000204062165 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)cc4s3)cc2[nH]1)C(C)C ZINC000204064597 KK Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000204090779 KK Annotated Reactive C[C@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C[C@H](CC(=O)O)C(=O)O ZINC000204094257 KK Annotated Anodyne CC(C)[C@H](CO)NCc1nc(-c2cc3c(OCc4ccccc4)cccc3n2C(=O)OC(C)(C)C)ccc1F ZINC000204413304 KK Annotated Anodyne CC(C)(C)OC(=O)CCNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NCCC(=O)OC(C)(C)C)cnc34)cccc2c1 ZINC000204759626 KK Annotated Reactive Cc1c(-c2cc(Nc3cc(CN4CC(F)(F)C4)n(C)n3)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O ZINC000204858979 KK Annotated Anodyne COC1=C(N)C(=O)C(C)=C(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000204934170 KK Annotated Mild COC1=C(N)C(=O)C(C)=C(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000204934193 KK Annotated Mild COC1=C(N)C(=O)C(C)=C(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000204934212 KK Annotated Mild Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(N7CCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204936625 KK Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204938966 KK Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc(C(F)(F)F)cc2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204938992 KK Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(N7CCCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204956255 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCN(C7CCCCC7)CC6)cc5c4)n3c2)cn1 ZINC000204956285 KK Annotated Anodyne C[C@]1(C(=O)N(CCCC(=O)O)Cc2ccc3ccoc3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204984627 KK Annotated Anodyne C[C@@]1(C(=O)N(CCCC(=O)O)Cc2ccc3ccoc3c2)CCN1C(=O)Cc1csc2ccccc12 ZINC000204984650 KK Annotated Anodyne Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Br)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)O2 ZINC000204998418 KK Annotated Anodyne C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O ZINC000205075199 KK Annotated Reactive N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccc(OC(F)(F)F)cc3)c2n1 ZINC000205096513 KK Annotated Mild COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(C)c(-c3c(C)c(-c4ccc5c(c4O)[C@@H](C)N[C@H](C)C5)c4cccc(OC)c4c3O)c(O)c12 ZINC000205116317 KK Annotated Clean COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)C4=O)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000205198856 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@@H]4C[C@@H](OCc5ccccc5)[C@@H](COCc5ccccc5)C4=O)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000205198881 KK Annotated Anodyne NC(N)=NCCSc1nc(-c2c[nH]c3cc(Br)ccc23)cnc1-c1c[nH]c2cc(Br)ccc12 ZINC000205206259 KK Annotated Mild O=C(Nc1cccc(OC(F)(F)F)c1)c1csc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1 ZINC000205208205 KK Annotated Anodyne O=C(Nc1ccc(OCc2ccccc2)cc1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205209429 KK Annotated Anodyne Cc1cc(C(=O)N2[C@H](c3nc4c(OCc5ccc(F)cc5)cccc4[nH]3)[C@H]3CC[C@@H]2C3)n(C(C)(C)C)n1 ZINC000205209992 KK Annotated Anodyne CN(C)c1ccc(-c2cc3cnc(Nc4cccc(NS(C)(=O)=O)c4)cc3n2Cc2ccccc2)cc1 ZINC000205210802 KK Annotated Clean O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 ZINC000205212191 KK Annotated Anodyne O=C(Nc1ccc(Oc2ccccc2)cc1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 ZINC000205215671 KK Annotated Anodyne O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(F)cc2O)cc(Cl)c1Cl ZINC000205215698 KK Annotated Anodyne C=C(C/C=C\C=C/CC/C=C/CN(C)C(=O)/C=C(\C)OC)c1nc(C[C@H](C)[C@H]2Cc3ccc(C)c(O)c3C(=O)O2)co1 ZINC000205251677 KK Annotated Mild O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCS[C@@H]2CCOC2=O)c1 ZINC000205278920 KK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCCS[C@H]2CCOC2=O)c1 ZINC000205278943 KK Annotated Anodyne C[C@@H]1[C@@H](c2c(Br)[nH]c3cc(Br)c(Br)cc23)c2c([nH]c3cc(Br)c(Br)cc23)[C@@]12C(=O)Nc1cc(Br)c(Br)cc12 ZINC000205282073 KK Annotated Anodyne C[C@H]1[C@H](c2c(Br)[nH]c3cc(Br)c(Br)cc23)c2c([nH]c3cc(Br)c(Br)cc23)[C@]12C(=O)Nc1cc(Br)c(Br)cc12 ZINC000205282088 KK Annotated Anodyne CC1=C(C)C2=CC(=O)C3=C(C(=O)[C@]4(Oc5c([C@H](C)CO)cc6c(c5O4)[C@]4(C)CCCC(C)(C)[C@H]4CC6=O)[C@@]4(O)C[C@H](C)O[C@]34O)[C@]2(C)CC1 ZINC000205287569 KK Annotated Mild COc1c(O)cc(O)cc1C(=O)CCCCCC[C@H]1C[C@@H]1CCCCCCC(=O)c1cc(O)cc(O)c1OC ZINC000205305679 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(Cc2ccccc2)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000205345251 KK Annotated Anodyne O=C(O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1 ZINC000205352061 KK Annotated Anodyne CC(C)(C)[Si](C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)c2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000205359093 KK Annotated Reactive COc1cc(O[Si](C)(C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccccc3)c12 ZINC000205359113 KK Annotated Reactive COc1cc(O)c([C@@H](CN2C(=O)c3ccccc3C2=O)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccn(S(=O)(=O)c3ccccc3)c12 ZINC000205359152 KK Annotated Anodyne COc1cc(O)c([C@H](CN2C(=O)c3ccccc3C2=O)c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c2ccn(S(=O)(=O)c3ccccc3)c12 ZINC000205359168 KK Annotated Anodyne CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]12C[C@@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000205365003 KK Annotated Anodyne OCC(CO)Oc1cc(O)cc([C@@H]2c3c(cc4c(c3/C=C/c3ccc(O)cc3)[C@H](c3cc(O)cc(O)c3)[C@@H](c3ccc(O)cc3)O4)O[C@H]2c2ccc(O)cc2)c1 ZINC000205371999 KK Annotated Anodyne CC(C)CC(=O)Nc1c(=O)c([C@H](C[N+](C)(C)C)c2c[nH]c3cc(Br)ccc23)c2cc[nH]c3cc[nH]c1c32 ZINC000205429045 KK Annotated Bother CC[C@@H](C)C(=O)Nc1c(=O)c([C@H](C[N+](C)(C)C)c2c[nH]c3cc(Br)ccc23)c2cc[nH]c3cc[nH]c1c32 ZINC000205429089 KK Annotated Bother C[N+](C)(C)C[C@H](c1c[nH]c2cc(Br)ccc12)c1c(=O)c(NC(=O)Cc2ccccc2)c2[nH]ccc3[nH]ccc1c32 ZINC000205429700 KK Annotated Bother COc1cc(OC)cc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(C)c(I)c(C)c32)c1 ZINC000205435356 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205435377 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1ccc(Br)cc1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205435398 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1cccs1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205435417 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1ccc(-c3cccs3)s1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205435437 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1ccc(Br)s1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205436695 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1ccc(-c3ccc(Br)s3)s1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205436714 KK Annotated Anodyne COc1ccc(COC[C@H](C)N2C[C@@H](C)[C@H](CN(C)S(=O)(=O)c3ccc(F)cc3)OCCCC[C@H](C)Oc3cccnc3C2=O)cc1 ZINC000205441556 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cccc(Cl)c3)CC1=O)c1ncc-2[nH]1 ZINC000205444408 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@@H](c3cccc(Cl)c3)CC1=O)c1ncc-2[nH]1 ZINC000205444422 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCN(c3cccc(Cl)c3)[C@H](C)C1=O)c1ncc-2[nH]1 ZINC000205446305 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CCN(c3cccc(Cl)c3)[C@@H](C)C1=O)c1ncc-2[nH]1 ZINC000205446312 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](N1CC[C@H](c3cc(Cl)ccc3OC(F)F)OC1=O)c1ncc-2[nH]1 ZINC000205447665 KK Annotated Anodyne CC(C)C(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1O[C@@]13OC(C)(C)C[C@H]1[C@@H]2C(C)(C)C(=O)C3(C)C ZINC000205472095 KK Annotated Mild CC(C)C(=O)c1c(O)c(Cc2c(O)c(C(=O)C(C)C)c3c(c2O)[C@@H](C(C)C)C2=C(O3)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C ZINC000205473936 KK Annotated Mild O=C1c2c3c(cc4oc(-c5ccc(O)cc5)c(c24)-c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@H]3c1cc(O)cc(O)c1 ZINC000205503247 KK Annotated Anodyne CCCCCCCCCCc1cc(Sc2ccccc2)c2c(c1O)C(=O)c1cc(CCCC[C@H](O)CCCCC)cc([N+](=O)[O-])c1C2=O ZINC000205503804 KK Annotated Mild CCCCCCCCCCc1cc(Sc2ccccc2)c2c(c1O)C(=O)c1cc(CCCC[C@@H](O)CCCCC)cc([N+](=O)[O-])c1C2=O ZINC000205503819 KK Annotated Mild O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCS[C@@H]2CCOC2=O)c1 ZINC000205518182 KK Annotated Anodyne O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCCCS[C@H]2CCOC2=O)c1 ZINC000205518190 KK Annotated Anodyne Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc12 ZINC000205537048 KK Annotated Anodyne CC1=CC(C)=[N+]2C1=C(CCCCc1cn([C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc3ccc(CN)cc3)nn1)c1c(C)cc(C)n1[B-]2(F)F ZINC000205593948 KK Annotated Anodyne CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@]21/C=C/c1c(-c2nc(=O)c3ccccc3n2C)[nH]c2ccccc12 ZINC000205597226 KK Annotated Clean COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000205627311 KK Annotated Anodyne in-vitro C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCc1cc3c(cc12)c1ccccc1n3-n1c2ccccc2c2cc3c(cc21)CC[C@@H]1[C@]3(C)CC[C@H](O)[C@@]1(C)C(=O)O ZINC000205627935 KK Annotated Anodyne CC(=O)O[C@H](CC(=O)O[C@@H]1COC(=O)c2csc(n2)[C@H](C(C)C)OC(=O)[C@@H](C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C ZINC000205644204 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)C2=C(CC[C@@H]1C)[C@](C)(CO/C(O)=C1\C=C(Br)C=N1)CCC2 ZINC000205654403 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(CO/C(O)=C3\C=C(Br)C=N3)=CC(=O)C[C@H]21 ZINC000205654433 KK Annotated Mild C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@@]1(C)[C@@H]2CCC=C(CO/C(O)=C3\C=C(Br)C=N3)[C@]2(C)CC[C@H]1C ZINC000205654464 KK Annotated Anodyne CCOC(=O)c1csc([C@H](O)COC(=O)c2csc([C@@H](OC(=O)[C@@H](C)[C@@H](O)CCCC(C)(Cl)Cl)C(C)C)n2)n1 ZINC000205660873 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@]2(C)C(COC(=O)c3cc(Br)c[nH]3)=CCC[C@H]21 ZINC000205665834 KK Annotated Anodyne O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(Cl)cc2O)cc(Cl)c1Cl ZINC000205694340 KK Annotated Anodyne O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2cccc(Cl)c2O)cc(Cl)c1Cl ZINC000205694360 KK Annotated Anodyne O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2cc(F)ccc2O)cc(Cl)c1Cl ZINC000205694386 KK Annotated Anodyne COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c(O)c3c(=O)c4c(OC)c5c(cc4oc23)OCO5)cc1OC ZINC000205698220 KK Annotated Bother COc1cc2c(=O)c3c(O)c(OC)c(O)c([C@H](c4ccccc4)c4cc(OC)c(OC)cc4OC)c3oc2cc1O ZINC000205701838 KK Annotated Bother Cc1ccc(S(=O)(=O)N2C(N)=C(C(=O)NCc3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 ZINC000205703634 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C(N)=C(C(=O)NCc3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000205703658 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1C(=O)N1CCCCC1 ZINC000205703931 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc3ccccc23)c1C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000205704029 KK Annotated Anodyne Cc1cc(C)cc(-c2c(C(=O)c3ccc(Br)cc3)[nH]c(N)c2C(=O)NCc2ccc(Cl)cc2)c1 ZINC000205704056 KK Annotated Anodyne Cc1ccc([C@H](C)NC(=O)C2=C(N)N(S(=O)(=O)c3ccc(C)cc3)[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000205704142 KK Annotated Anodyne Cc1ccc([C@H](C)NC(=O)C2=C(N)N(S(=O)(=O)c3ccc(C)cc3)[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000205704165 KK Annotated Anodyne COc1ccc2ccccc2c1-c1c(C(=O)c2ccc(Br)cc2)[nH]c(N)c1C(=O)NC1CCCCC1 ZINC000205704198 KK Annotated Anodyne O=C1C[C@H](c2ccc3ccccc3c2)N=C2N1/C(=C\c1ccccc1)[C@@H](c1ccccc1C(F)(F)F)N2Cc1ccc2c(c1)OCO2 ZINC000205716044 KK Annotated Anodyne COc1ccc(/C=C2/CN(Cc3ccc(OC)cc3OC)C3=N[C@H](c4ccc5ccccc5c4)CC(=O)N32)cc1 ZINC000205716076 KK Annotated Anodyne COc1ccc(/C=C2/CN(Cc3ccc(OC)cc3OC)C3=N[C@@H](c4ccc5ccccc5c4)CC(=O)N32)cc1 ZINC000205716097 KK Annotated Anodyne CC(C)[C@@H](C#CC1CC1)N(Cc1ccc2c(c1)OCO2)/C(N)=N/C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000205716219 KK Annotated Mild CC(C)[C@H](C#CC1CC1)N(Cc1ccc2c(c1)OCO2)/C(N)=N/C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000205716240 KK Annotated Mild CC(C)[C@H]1/C(=C/C2CC2)N2C(=O)C[C@H](c3cccc(C(F)(F)F)c3)N=C2N1Cc1ccc2c(c1)OCO2 ZINC000205716265 KK Annotated Anodyne CN1C2=N[C@H](c3ccc4ccccc4c3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000205716424 KK Annotated Anodyne CN1C2=N[C@H](c3ccc4ccccc4c3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000205716444 KK Annotated Anodyne CN1C2=N[C@@H](c3ccc4ccccc4c3)CC(=O)N2/C(=C\c2ccccc2)[C@H]1c1ccccc1C(F)(F)F ZINC000205716464 KK Annotated Anodyne CN1C2=N[C@@H](c3ccc4ccccc4c3)CC(=O)N2/C(=C\c2ccccc2)[C@@H]1c1ccccc1C(F)(F)F ZINC000205716490 KK Annotated Anodyne CCCC/C=C1/[C@H](c2ccccc2)N(Cc2ccc(OC)cc2OC)C2=N[C@H](c3ccccc3)CC(=O)N21 ZINC000205717066 KK Annotated Anodyne CCCC/C=C1/[C@@H](c2ccccc2)N(Cc2ccc(OC)cc2OC)C2=N[C@H](c3ccccc3)CC(=O)N21 ZINC000205717090 KK Annotated Anodyne CCCC/C=C1/[C@H](c2ccccc2)N(Cc2ccc(OC)cc2OC)C2=N[C@@H](c3ccccc3)CC(=O)N21 ZINC000205717110 KK Annotated Anodyne CCCC/C=C1/[C@@H](c2ccccc2)N(Cc2ccc(OC)cc2OC)C2=N[C@@H](c3ccccc3)CC(=O)N21 ZINC000205717136 KK Annotated Anodyne COc1ccc(CN2C3=N[C@H](c4ccccc4)CC(=O)N3/C(=C\c3ccccc3)[C@H]2c2ccccc2)c(OC)c1 ZINC000205717163 KK Annotated Anodyne COc1ccc(CN2C3=N[C@H](c4ccccc4)CC(=O)N3/C(=C\c3ccccc3)[C@@H]2c2ccccc2)c(OC)c1 ZINC000205717181 KK Annotated Anodyne COc1ccc(CN2C3=N[C@@H](c4ccccc4)CC(=O)N3/C(=C\c3ccccc3)[C@H]2c2ccccc2)c(OC)c1 ZINC000205717205 KK Annotated Anodyne COc1ccc(CN2C3=N[C@@H](c4ccccc4)CC(=O)N3/C(=C\c3ccccc3)[C@@H]2c2ccccc2)c(OC)c1 ZINC000205717227 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)[C@@H]1N(C(=O)OC(C)(C)C)c1ccccc12 ZINC000205718145 KK Annotated Anodyne COc1ccc2c(CCN3C(=O)c4ccccc4C3=O)c(-c3c(CCN4C(=O)c5ccccc5C4=O)c4ccccc4n3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000205718555 KK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000205720082 KK Annotated Anodyne C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c2oc3c4c(c(C(=O)[C@@H](C)CC)c(O)c3c2c1O)OC(C)(C)C=C4 ZINC000205721573 KK Annotated Mild Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000205722505 KK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000205722527 KK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000205724007 KK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000205724058 KK Annotated Anodyne Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000205739972 KK Annotated Anodyne CC(=O)C[C@@]1(O)C(=O)C(CC=C(C)C)(CC=C(C)C)c2c1oc1cc3c(c(O)c1c2=O)C=CC(C)(C)O3 ZINC000205742927 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br ZINC000205748927 KK Annotated Reactive CC(C)(O)/C=C/C[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br ZINC000205748954 KK Annotated Reactive CC(C)(/C=C/C[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br)OO ZINC000205748978 KK Annotated Reactive C=C(C)C(=O)CC[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br ZINC000205749008 KK Annotated Reactive C=CC(C)(C)N1C(=O)[C@@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@@H]4O[C@H](C(C)(C)O)CC[C@]43C)C2=C)c2ccccc21 ZINC000205757775 KK Annotated Mild C=CC(C)(C)N1C(=O)[C@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@@H]4O[C@@H](C(C)(C)O)CC[C@]43C)C2=C)c2ccccc21 ZINC000205760106 KK Annotated Mild C=CC(C)(C)N1C(=O)[C@@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@@H]4O[C@@H](C(C)(C)O)CC[C@]43C)C2=C)c2ccccc21 ZINC000205760121 KK Annotated Mild C=CC(C)(C)N1C(=O)[C@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@H](O)[C@@]3(C)CC[C@H](O)C(C)(C)O)C2=C)c2ccccc21 ZINC000205760140 KK Annotated Mild C=CC(C)(C)N1C(=O)[C@@H](C[C@@H]2CC[C@@H]3[C@](C)(CC[C@H](O)[C@@]3(C)CC[C@H](O)C(C)(C)O)C2=C)c2ccccc21 ZINC000205760154 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)[C@@H]5C2)OCO4)C(=O)N1C ZINC000205773491 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(nccc5cc3OC)C2)OCO4)CCN1C ZINC000205773520 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(nccc5cc3OC)C2)OCO4)CC[N+]1(C)[O-] ZINC000205773550 KK Annotated Bother COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N+](C)([O-])[C@@H]5C2)OCO4)CCN1C ZINC000205776794 KK Annotated Bother CCc1oc(=O)c(Cc2c(OC(C)=O)c3c(c(C(=O)[C@@H](C)CC)c2OC(C)=O)OC(C)(C)C=C3)c(OC(C)=O)c1C ZINC000205791519 KK Annotated Anodyne CCN(CCO)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000205792709 KK Annotated Anodyne CCN(CCOC)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000205794887 KK Annotated Anodyne O[C@H]1CCCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000205794911 KK Annotated Anodyne O[C@@H]1CCCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000205794934 KK Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)=C2[Si](C)(C)C ZINC000205838541 KK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)=C2[Si](C)(C)C ZINC000205838561 KK Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)=C2[Si](C)(C)C ZINC000205838580 KK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccc(OC(=O)OC(C)(C)C)c3ncccc13)=C2[Si](C)(C)C ZINC000205838600 KK Annotated Clean C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]2[C@H]1OC(C)=O ZINC000205840362 KK Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1OC(C)=O ZINC000205841278 KK Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1OC(C)=O ZINC000205841928 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1/C(=N\O)C[C@@H]3[C@@]4(C)CC=C(B5OC(C)(C)C(C)(C)O5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205844746 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C/C=C(/CO)CCC=C(C)C)C(=O)c1ccc(O)cc1O ZINC000205845336 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C/C(=C/CO)CCC=C(C)C)C(=O)c1ccc(O)cc1O ZINC000205845386 KK Annotated Anodyne COc1cc(/C=C/C[C@@H](C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c2ccc(O)cc2O)ccc1O ZINC000205846418 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C[C@@H]3[C@@]4(C)CC=C(B5OC(C)(C)C(C)(C)O5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205855028 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)CC=C(B5OC(C)(C)C(C)(C)O5)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205855060 KK Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)NCc1cccc2ccccc12 ZINC000205855554 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1ccc(Br)cc1 ZINC000205855602 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000205855652 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)c1c[nH]c2cc(F)ccc12 ZINC000205855676 KK Annotated Anodyne C[C@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc(Br)c1)c1cccc2ccccc12 ZINC000205855790 KK Annotated Anodyne C[C@@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc(Br)c1)c1cccc2ccccc12 ZINC000205855811 KK Annotated Anodyne Cc1ccc([C@@H](C)NC(=O)c2c(N)[nH]c(C(=O)c3ccccc3)c2-c2cccc(Br)c2)cc1 ZINC000205855835 KK Annotated Anodyne Cc1ccc([C@H](C)NC(=O)c2c(N)[nH]c(C(=O)c3ccccc3)c2-c2cccc(Br)c2)cc1 ZINC000205855851 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)NCc1ccc(F)c(F)c1 ZINC000205855871 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2cccc(Br)c2)c1C(=O)NCCc1ccc(F)cc1 ZINC000205855897 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(F)c(Oc3ccccc3)c2)c1C(=O)c1c[nH]c2ccccc12 ZINC000205856012 KK Annotated Anodyne O=[N+]([O-])c1nccn1CCOCCOCc1cn(CCC[Si](F)(c2cccc3ccccc23)c2cccc3ccccc23)nn1 ZINC000205856044 KK Annotated Unstable COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856262 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3cccc(Br)c3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856292 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccc(C#N)cc3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856313 KK Annotated Mild COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccc(Cl)cc3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856338 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccc(F)cc3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856363 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccc(Br)cc3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856394 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3cccnc3)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205856416 KK Annotated Anodyne Cn1c(=O)c2c(nc(-c3ccccc3Cl)n2COCC[Si](C)(C)C)c2ccc(Br)cc21 ZINC000205856866 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3Br)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205857142 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3Cl)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205857172 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3OC)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205857197 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3C)N1[C@H](/C=C/c1ccccc1)[C@H](C(=O)OC(C)(C)C)C2 ZINC000205857224 KK Annotated Anodyne COc1ccc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(C)c(I)c(C)c32)cc1OC ZINC000205857284 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C(C)=C(I)C(C)=[N+]3[B-](F)(F)n3c(C)c(I)c(C)c32)cc1 ZINC000205857308 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](C(=O)OC(C)(C)C)[C@@H](c3ccccc3)N1[C@H](/C=C/c1ccccc1)[C@H]([N+](=O)[O-])[C@H]2c1ccccc1 ZINC000205857310 KK Annotated Bother CCOC(=O)[C@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858441 KK Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(C)c(C)cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858460 KK Annotated Anodyne CCOC(=O)[C@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858737 KK Annotated Anodyne CCOC(=O)[C@@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858753 KK Annotated Anodyne CCOC(=O)[C@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000205858781 KK Annotated Anodyne CCOC(=O)[C@@H](Nc1cc2ccccc2cc1NC(=O)OC(C)(C)C)c1nnnn1-c1c(C)cccc1C ZINC000205858798 KK Annotated Anodyne CCOC(=O)[C@H](Nc1cc(Br)ccc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858958 KK Annotated Anodyne CCOC(=O)[C@@H](Nc1cc(Br)ccc1NC(=O)OC(C)(C)C)c1nnnn1C(C)(C)CC(C)(C)C ZINC000205858978 KK Annotated Anodyne COC(=O)N(Cc1ccccc1NC(=O)OC(C)(C)C)[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000205859378 KK Annotated Anodyne COC(=O)N(Cc1ccccc1NC(=O)OC(C)(C)C)[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000205859392 KK Annotated Anodyne CCOC(=O)[C@@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC000205859523 KK Annotated Anodyne CCOC(=O)[C@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCC(Cc2ccccc2)CC1 ZINC000205859546 KK Annotated Anodyne O=C(C(=O)N(/C=C(\c1cccc(Br)c1)n1c(=O)[nH]c2ccccc21)c1ccccc1)c1cccs1 ZINC000205860200 KK Annotated Anodyne O=c1c(-c2cccs2)nc2ccccc2n1/C=C(/c1ccc2c(c1)OCO2)n1c(=O)[nH]c2ccccc21 ZINC000205860268 KK Annotated Anodyne Cc1ccccc1CN(C(=O)Cc1cc(F)cc(F)c1)C1=C(c2ccc3c(c2)OCO3)Nc2ccccc2NC1=O ZINC000205860448 KK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N(/C=C(\c1ccc(OC(F)(F)F)cc1)n1c(=O)[nH]c2ccccc21)CCc1ccccc1 ZINC000205860498 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C(c2ccccc2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1c1ccc(Br)cc1 ZINC000205860821 KK Annotated Anodyne CCCCNC(=O)[C@H]1C(c2ccccc2)=C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N1c1ccc(Br)cc1 ZINC000205860842 KK Annotated Anodyne CCCCNC(=O)[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Br)cc1)c1c(C)cccc1C ZINC000205861072 KK Annotated Anodyne CCCCNC(=O)[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Br)cc1)c1c(C)cccc1C ZINC000205861093 KK Annotated Anodyne CCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(c2ccc(OC)cc2)[C@H]1C(=O)Nc1c(C)cccc1C ZINC000205862819 KK Annotated Bother CCCCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(c2ccc(OC)cc2)[C@@H]1C(=O)Nc1c(C)cccc1C ZINC000205862842 KK Annotated Bother COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3c(Cl)cccc3Cl)[C@@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000205862868 KK Annotated Bother COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)N(Cc3c(Cl)cccc3Cl)[C@H]2C(=O)Nc2c(C)cccc2C)cc1 ZINC000205862883 KK Annotated Bother Cc1cc2nc(-c3cc4ccccc4[nH]3)c(=O)n(/C=C(/c3ccc(F)cc3)n3c(=O)[nH]c4ccccc43)c2cc1C ZINC000205863083 KK Annotated Anodyne COc1cc(-c2nc3cc(C)c(C)cc3n3cnc(-c4ccc(Br)cc4)c23)cc(OC)c1OC ZINC000205863595 KK Annotated Anodyne CC(C)(C)[Si](C)(C)Oc1cccc2c1C(=O)c1c(O[Si](C)(C)C(C)(C)C)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc1C2=O ZINC000205876385 KK Annotated Reactive COc1ccc(C(=C2C=CC(=O)C=C2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)cc2)cc1 ZINC000205883392 KK Annotated Mild OCc1c(O)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000205886042 KK Annotated Reactive COc1cc(O)c(-c2cc(-c3c(C)cc(O)c4c(OC)ccc(-c5c(O)cc(OC)c6c5C[C@@H](C)N[C@@H]6C)c34)c(O)c3c(OC)cc(C)cc23)c2c1[C@@H](C)N[C@H](C)C2 ZINC000205903174 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1ccccc1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205903485 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C(=O)C1=C1CC[C@@H]3[C@@]4(C)C[C@@H](OC(C)=O)C[C@@H](C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000205906481 KK Annotated Mild CC1(C)OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2O1 ZINC000205914627 KK Annotated Reactive CC1=C(I)C(C)=[N+]2C1=C(c1c(F)c(F)c(F)c(F)c1F)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000205928240 KK Annotated Mild Cc1c(C)n([C@@H](C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000205992638 KK Annotated Anodyne Cc1c(C)n([C@H](C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000205992662 KK Annotated Anodyne C=CCOc1cc(=O)n(-c2ccc(Oc3ccnc(N)c3Cl)c(F)c2)cc1C(=O)NCc1ccc(F)cc1 ZINC000205994607 KK Annotated Mild Cc1c(C)n(Cc2cccc(C(C)(C)C(N)=O)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206005477 KK Annotated Anodyne Cc1c(C)n([C@@H](C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206010839 KK Annotated Anodyne Cc1c(C)n([C@H](C)c2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12 ZINC000206010860 KK Annotated Anodyne Cc1c(C)n(Cc2cccc(C3(C(=O)O)CC3)c2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000206011570 KK Annotated Anodyne O=S(=O)(c1cccc(OC(F)F)c1)N1[C@H](c2nc3c(OCc4ccccc4)cccc3[nH]2)[C@H]2CC[C@@H]1C2 ZINC000206018214 KK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N(c2ccc(OC(C)C)cc2CO)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000206021504 KK Annotated Anodyne CCOCOCc1cc(OC(C)C)ccc1N1C(=O)C[C@@H](C(=O)OC)[C@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000206021554 KK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N(c2ccc(OC)cc2C)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000206021584 KK Annotated Anodyne COC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC(C)C)c(OC)c1 ZINC000206021613 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024614 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024638 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024665 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccc4ccccc4c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024693 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N(c3ccc(C#N)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024718 KK Annotated Mild COC(=O)c1cccc(N2C(=O)C[C@](Sc3ccc(OC)cc3)(C(=O)N3CCCC3)[C@H]2c2ccc(OC)cc2)c1 ZINC000206024750 KK Annotated Anodyne COC(=O)c1cc(OC(C)C)ccc1NC(=O)[C@@]1(Sc2ccc(OC)cc2)CC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000206024804 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N(C)C)CC(=O)N(c3ccc4ccccc4c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206024979 KK Annotated Anodyne COc1ccc(S[C@]2(C(=O)N3CCOCC3)CC(=O)N(c3ccc4ccccc4c3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025003 KK Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025136 KK Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025222 KK Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(C(=O)CCc3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025253 KK Annotated Anodyne COc1ccc(S[C@]2(c3nc(C)no3)CC(=O)N(C(=O)c3ccccc3)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000206025284 KK Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)cc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039071 KK Annotated Anodyne O=C(NCc1ccc(Cl)c(Cl)c1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 ZINC000206039107 KK Annotated Anodyne O=C(O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)N1CCN(c2ccccc2)CC1 ZINC000206039444 KK Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000206039855 KK Annotated Anodyne O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000206040222 KK Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC[C@]23CCCN13 ZINC000206040582 KK Annotated Anodyne CCCCc1ccc(S(=O)(=O)N[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2Cc2ccccc2)cc1 ZINC000206040653 KK Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)CC[C@]23CCCN13 ZINC000206040686 KK Annotated Anodyne O=C1CCC[C@H]2[C@@H](Cc3ccccc3)[C@@H](NS(=O)(=O)c3cc(Cl)cc(Cl)c3)CC[C@]23CCCN13 ZINC000206040728 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1cccc(Br)c1 ZINC000206046098 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1cccc(Br)c1 ZINC000206046129 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1cccc(Br)c1 ZINC000206046147 KK Annotated Anodyne COC(=O)[C@@](c1ccc(Br)cc1)(c1cn(C)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046338 KK Annotated Anodyne COC(=O)[C@@](c1ccc(Br)cc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046364 KK Annotated Anodyne COC(=O)[C@](c1ccc(Br)cc1)(c1cn(C)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046386 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2cc(Br)ccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046648 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(C)c2cc(Br)ccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046677 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(C)c2cc(Br)ccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046698 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(Cc2ccccc2)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046802 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(Cc2ccccc2)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046833 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(-c2ccccc2)c2ccccc12)[C@H](Nc1ccccc1)c1ccccc1 ZINC000206046861 KK Annotated Anodyne COC(=O)[C@@](c1ccccc1)(c1cn(-c2ccccc2)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046892 KK Annotated Anodyne COC(=O)[C@](c1ccccc1)(c1cn(-c2ccccc2)c2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000206046919 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2c(O)cc(OC)c3c2O[C@]24C(=O)C(=O)[C@@H]5[C@@H](C5(C)C)[C@@]2(C)[C@H](C)CC[C@H]34)cc1 ZINC000206047258 KK Annotated Mild COC(=O)[C@](Nc1cc(OC)ccc1OC)(c1ccc(F)cc1)[C@@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048136 KK Annotated Anodyne COC(=O)[C@](Nc1cc(OC)ccc1OC)(c1ccc(F)cc1)[C@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048150 KK Annotated Anodyne COC(=O)[C@@](Nc1cc(OC)ccc1OC)(c1ccc(F)cc1)[C@@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048168 KK Annotated Anodyne COC(=O)[C@@](Nc1cc(OC)ccc1OC)(c1ccc(F)cc1)[C@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048193 KK Annotated Anodyne COC(=O)[C@@](Nc1cc(OC)ccc1OC)(c1cccc(OC)c1)[C@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048219 KK Annotated Anodyne COC(=O)[C@](Nc1cc(OC)ccc1OC)(c1cccc(OC)c1)[C@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048243 KK Annotated Anodyne COC(=O)[C@@](Nc1cc(OC)ccc1OC)(c1cccc(OC)c1)[C@@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048267 KK Annotated Anodyne COC(=O)[C@](Nc1cc(OC)ccc1OC)(c1cccc(OC)c1)[C@@H](Nc1cc(OC)ccc1OC)c1ccc(Br)cc1 ZINC000206048289 KK Annotated Anodyne O=C(c1ccccc1Br)N(CCc1ccccc1)[C@@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000206052204 KK Annotated Anodyne O=C(c1ccccc1Br)N(CCc1ccccc1)[C@H](CCc1ccccc1)c1nc2ccccc2[nH]1 ZINC000206052219 KK Annotated Anodyne COc1ccc(N(CC(=O)Nc2c(C)cccc2C)[C@@H](c2ccccc2F)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000206053031 KK Annotated Clean COc1ccc(N(CC(=O)Nc2c(C)cccc2C)[C@H](c2ccccc2F)c2nnnn2-c2c(C)cccc2C)cc1 ZINC000206053057 KK Annotated Clean COc1ccc([C@@H](C(=O)NC(C)(C)C)n2c(-c3ccccc3Br)nc3cc(C)c(C)cc32)cc1 ZINC000206053212 KK Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)n2c(-c3ccccc3Br)nc3cc(C)c(C)cc32)cc1 ZINC000206053235 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2cc(C4CC4)nn2C)CC3)CC1(C)C ZINC000206061628 KK Annotated Anodyne COC(=O)N(Cc1ccccc1NC(=O)OC(C)(C)C)[C@H](C(=O)NC1CCCC1)C(=O)c1c(C)cc(C)cc1C ZINC000206062575 KK Annotated Anodyne COC(=O)N(Cc1ccccc1NC(=O)OC(C)(C)C)[C@@H](C(=O)NC1CCCC1)C(=O)c1c(C)cc(C)cc1C ZINC000206062596 KK Annotated Anodyne Cc1cc2c(cc1C)NC(c1cccc(Br)c1)=C(N(Cc1ccccc1)C(=O)C(=O)c1ccccc1)C(=O)N2 ZINC000206062707 KK Annotated Anodyne O=C1Nc2ccccc2NC(c2cccc(Br)c2)=C1N(C(=O)C(=O)c1cccs1)c1ccccc1 ZINC000206062807 KK Annotated Anodyne Cc1cc2nc(-c3cc4ccccc4[nH]3)c(=O)n(/C=C(/c3ccccc3)n3c(=O)[nH]c4ccccc43)c2cc1C ZINC000206062834 KK Annotated Anodyne O=c1c(-c2ccco2)nc2ccccc2n1/C=C(/c1ccc(C(F)(F)F)cc1)n1c(=O)[nH]c2ccccc21 ZINC000206062973 KK Annotated Anodyne CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H](C(=O)Nc1c(C)cccc1C)C(=O)c1ccc(OC)cc1 ZINC000206063118 KK Annotated Bother CCCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)Nc1c(C)cccc1C)C(=O)c1ccc(OC)cc1 ZINC000206063140 KK Annotated Bother COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000206087970 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000206087991 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3cc(=O)n(C)c(=O)n3C)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206088026 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3cc(=O)n(C)c(=O)n3C)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206088051 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CCOCC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206088079 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CCOCC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206088101 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cn1)N(c1cc(Cl)ccc1C)C2=O ZINC000206088134 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cn1)N(c1cc(Cl)ccc1C)C2=O ZINC000206088156 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CCO)c1)C2=O ZINC000206088189 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CCO)c1)C2=O ZINC000206088216 KK Annotated Anodyne COCCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000206091457 KK Annotated Anodyne COCCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000206091476 KK Annotated Anodyne CCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000206091512 KK Annotated Anodyne CCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@@H]2c2ccc(Cl)cc2C)cc(Cl)c1=O ZINC000206091543 KK Annotated Anodyne CNC(=O)c1ccc(OC)c(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c1 ZINC000206091579 KK Annotated Anodyne CNC(=O)c1ccc(OC)c(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)c(=O)n(C)c2)C3=O)c1 ZINC000206091607 KK Annotated Anodyne COc1ccc(CN)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000206091642 KK Annotated Anodyne COc1ccc(CN)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000206091667 KK Annotated Anodyne COc1ccc(CNC(C)=O)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000206091698 KK Annotated Anodyne COc1ccc(CNC(C)=O)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000206091725 KK Annotated Anodyne COC(=O)N1CCC[C@H]1Cn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206095199 KK Annotated Anodyne COC(=O)N1CCC[C@H]1Cn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206095218 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206099800 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206099826 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3cccnc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206099862 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3cccnc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206099891 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccc(C#N)cc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206099927 KK Annotated Mild Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccc(C#N)cc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206099956 KK Annotated Mild Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C(=O)N3CCN(C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206099994 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C(=O)N3CCN(C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206100018 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCc3cnc[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103116 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCc3cnc[nH]3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103141 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3cc(=O)[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103244 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3cc(=O)[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103275 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103382 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCc3ccccn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206103411 KK Annotated Anodyne COc1cc(OC)c(NC(=O)[C@H](C)Sc2ccc(NC(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)cc2)cc1Cl ZINC000206105525 KK Annotated Anodyne in-vitro COc1cc(OC)c(NC(=O)[C@@H](C)Sc2ccc(NC(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)cc2)cc1Cl ZINC000206105555 KK Annotated Anodyne in-vitro Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCc3c[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206107031 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCc3c[nH]c4ccccc34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206107052 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCN3C(=O)c4ccccc4C3=O)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206107088 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCN3C(=O)c4ccccc4C3=O)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206107114 KK Annotated Anodyne CCN1CCN(CCn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)C1=O ZINC000206107275 KK Annotated Anodyne CCN1CCN(CCn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)C1=O ZINC000206107301 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000206110468 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)cccc2c1 ZINC000206110510 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206112394 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206112423 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206112453 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206112479 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC(=O)N3CCC(O)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206118781 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC(=O)N3CCC(O)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206118808 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC(=O)N3CCC(CCO)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206118848 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC(=O)N3CCC(CCO)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206118875 KK Annotated Anodyne CC(=O)N1CCC(NC(=O)Cn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206118915 KK Annotated Anodyne CC(=O)N1CCC(NC(=O)Cn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206118945 KK Annotated Anodyne CC(=O)N1CCN(C(=O)Cn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206118984 KK Annotated Anodyne CC(=O)N1CCN(C(=O)Cn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206119015 KK Annotated Anodyne CC(=O)N1CCC(Cn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206124896 KK Annotated Anodyne CC(=O)N1CCC(Cn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206124928 KK Annotated Anodyne CC(=O)N1CCC(O)(Cn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206125138 KK Annotated Anodyne CC(=O)N1CCC(O)(Cn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)CC1 ZINC000206125163 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC3(O)CCN(C(=O)NC(C)C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206129845 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC3(O)CCN(C(=O)NC(C)C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206129879 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCc3ccccc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206129917 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCc3ccccc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206129950 KK Annotated Anodyne CC(C)c1c2c(nn1Cc1ccccc1C#N)C(=O)N(c1ccc(F)c(F)c1)[C@@H]2c1ccc(Cl)cc1 ZINC000206130045 KK Annotated Mild CC(C)c1c2c(nn1Cc1ccccc1C#N)C(=O)N(c1ccc(F)c(F)c1)[C@H]2c1ccc(Cl)cc1 ZINC000206130074 KK Annotated Mild Cc1nc(Cn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cccc(Cl)c2F)C3=O)cs1 ZINC000206130110 KK Annotated Anodyne Cc1nc(Cn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cccc(Cl)c2F)C3=O)cs1 ZINC000206130139 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000206131860 KK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cccc2c1 ZINC000206131903 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3ccncc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206134142 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3ccncc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206134169 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3cscn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206134210 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3cscn3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206134239 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3ccccn3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206134357 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3ccccn3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206134387 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Br)nccc2c1 ZINC000206137390 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)nccc2c1 ZINC000206137518 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC(=O)N3CCCC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206140038 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC(=O)N3CCCC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206140060 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCN3CCN(C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206144877 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCN3CCN(C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206144909 KK Annotated Anodyne CCn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000206145018 KK Annotated Anodyne CCn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000206145045 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CCN3CCCC3=O)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206145088 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CCN3CCCC3=O)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206145123 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3ccccc3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206145162 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3ccccc3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206145190 KK Annotated Anodyne CN1CCN(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc23)CC1 ZINC000206149368 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C(=O)N(C)c3ccccc3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206151048 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C(=O)N(C)c3ccccc3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206151072 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C[C@@H]3CCCN3C(=O)N(C)C)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206151112 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C[C@@H]3CCCN3C(=O)N(C)C)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000206151137 KK Annotated Anodyne CC(=O)N1CCC[C@H]1Cn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206151182 KK Annotated Anodyne CC(=O)N1CCC[C@H]1Cn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000206151202 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3ccccc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206151236 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3ccccc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206151262 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccccc3F)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206156104 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccccc3F)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206156131 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccc(Cl)cc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206156172 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccc(Cl)cc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206156200 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccc(C(N)=O)cc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206156244 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccc(C(N)=O)cc3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000206156270 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(F)c(F)c1)N(c1cccc(Cl)c1F)C2=O ZINC000206161160 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(F)c(F)c1)N(c1cccc(Cl)c1F)C2=O ZINC000206161194 KK Annotated Anodyne CN1CCC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)C1 ZINC000206165113 KK Annotated Anodyne Cn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206165157 KK Annotated Anodyne Cn1ccnc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000206165201 KK Annotated Anodyne CC(=O)O[C@@H](CC[C@](C)(O)[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000206209506 KK Annotated Anodyne Cc1c(O)c(C(=O)CCc2ccccc2)c2c(c1O)[C@@H]1C3=C(O[C@]1(C(C)C)O2)C(C)(C)C(=O)C(C)(C)C3=O ZINC000206301610 KK Annotated Mild CC(C)(C)CC(C)(C)Nc1c(-c2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccc(Br)cc3)n12 ZINC000206321100 KK Annotated Bother CN1C(=O)[C@@]2(SCc3ccc([N+](=O)[O-])cc3)C[C@]3(c4cn(C(=O)OC(C)(C)C)c5ccccc45)c4ccccc4N(S(=O)(=O)c4ccccc4)[C@@H]3N2C(=O)[C@H]1SCc1ccc([N+](=O)[O-])cc1 ZINC000206393829 KK Annotated Bother CN1C(=O)[C@@]2(SCc3ccc([N+](=O)[O-])cc3)C[C@]3(c4cn(C(=O)OC(C)(C)C)c5ccccc45)c4ccccc4N(S(=O)(=O)c4ccccc4)[C@@H]3N2C(=O)[C@@H]1SCc1ccc([N+](=O)[O-])cc1 ZINC000206393865 KK Annotated Bother CC(C)[Si](O[C@@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@@]2(O)C(=O)N1C)(C(C)C)C(C)C ZINC000206393918 KK Annotated Reactive CC(C)[Si](O[C@@H]1C(=O)N2[C@H]3N(S(=O)(=O)c4ccccc4)c4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@@]2(O)C(=O)N1C)(C(C)C)C(C)C ZINC000206393963 KK Annotated Reactive COc1cc(-c2c([C@@H]3O[C@H](OC4CCC5(CC4)CN=CO5)[C@@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000206395879 KK Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@H](O[C@H]4O[C@@H](c5cc(OC)c(OC)c(OC)c5-c5cc(OC)c(O)c(OC)c5)[C@H](C)[C@@H]4C)[C@@H](C)[C@H]3C)cc(OC)c(OC)c2OC)cc(OC)c1O ZINC000206411742 KK Annotated Anodyne Cc1ccc(-c2nc([C@@H]3CCCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)C3)no2)cc1 ZINC000206493176 KK Annotated Anodyne Cc1ccc(-c2nc([C@H]3CCCN(S(=O)(=O)c4c(C(C)C)cc(C(C)C)cc4C(C)C)C3)no2)cc1 ZINC000206493219 KK Annotated Anodyne CCc1noc(C)c1C(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)N(C)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000206494000 KK Annotated Anodyne CCc1noc(C)c1C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)N(C)C1CCCC1)c1ccc(OC)c(OC)c1 ZINC000206494041 KK Annotated Anodyne c1ccc2cc3c4[nH]c([nH]c5[nH]c([nH]c6[nH]c([nH]c7[nH]c([nH]4)c4cc8ccccc8cc74)c4cc7ccccc7cc64)c4cc6ccccc6cc54)c3cc2c1 ZINC000206545090 KK Annotated Bother CC(C)(C)c1ccc2cc3c4[nH]c([nH]c5[nH]c([nH]c6[nH]c([nH]c7[nH]c([nH]4)c4cc8cc(C(C)(C)C)ccc8cc74)c4cc7cc(C(C)(C)C)ccc7cc64)c4cc6cc(C(C)(C)C)ccc6cc54)c3cc2c1 ZINC000206545429 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4cc(-c5cnc6ccccc6n5)nc34)cc2)cc1 ZINC000206590712 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nccn4cc(-c5ccc6ccccc6c5)nc34)cc2)cc1 ZINC000206591473 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4cc(-c5ccccc5Oc5ccccc5)nc34)cc2)cc1 ZINC000206592760 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000206620386 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000206620430 KK Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc(O)c3c2oc2cc(O)c4c(c23)Oc2c(O)cc(O)c(Oc3cc(O)cc(O)c3-c3c(O)cc(O)cc3Oc3c(O)cc(O)cc3Oc3c(O)cc(O)cc3O)c2O4)c1 ZINC000206640919 KK Annotated Anodyne CCC(=O)O[C@@H]1[C@H](C)[C@@](O)([C@@H](C)c2oc(CC)c(C)c(=O)c2C)O[C@@H]([C@@H](C)c2oc([C@@H](C)C(=O)CC)c(C)c(=O)c2C)[C@H]1C ZINC000206673487 KK Annotated Anodyne CCc1oc([C@H](C)[C@@]2(O)O[C@@H]([C@@H](C)c3oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c3C)[C@@H](C)[C@H](OC(=O)CC(C)C)[C@@H]2C)c(C)c(=O)c1C ZINC000206682653 KK Annotated Anodyne CCc1oc([C@H](C)[C@@]2(O)O[C@@H]([C@@H](C)c3oc([C@@H](C)[C@H](CC)OC(C)=O)c(C)c(=O)c3C)[C@@H](C)[C@H](OC(=O)CC(C)C)[C@@H]2C)c(C)c(=O)c1C ZINC000206682712 KK Annotated Anodyne CCC(=O)O[C@@H](CC)[C@H](C)c1oc([C@H](C)[C@@H]2O[C@](O)([C@@H](C)c3oc(CC)c(C)c(=O)c3C)[C@@H](C)[C@@H](OC(=O)CC(C)C)[C@@H]2C)c(C)c(=O)c1C ZINC000206682769 KK Annotated Anodyne CCC(=O)O[C@@H](CC)[C@H](C)c1oc([C@H](C)[C@H](OC(=O)CC(C)C)[C@@H](C)[C@@H](OC(=O)CC)/C(C)=C/[C@@H](C)c2oc(CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000206703067 KK Annotated Anodyne C=C[C@@H](CCCCC)OC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)[C@@H](C(=O)O)[C@]1(C)C[C@H](O)[C@]1(C)[C@H]2CCCC(=C)[C@]2(C)CC[C@H]1C ZINC000206703227 KK Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)C[C@@H]1C ZINC000206753492 KK Annotated Anodyne N#Cc1ccc2c(c1)CN(C1CCC(NC(=O)/C=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC1)CCC2 ZINC000206761784 KK Annotated Mild O=C1COc2ccccc2N1C/C=C(/CN1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000206770109 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(Nc2nnc(-c3ccc(OCC(=O)NC[C@H]4CC[C@H]5C[C@@H]4C5(C)C)c([N+](=O)[O-])c3)o2)cc1 ZINC000206782223 KK Annotated Bother N#Cc1ccc(N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000206794276 KK Annotated Mild CCC(CC)(Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)Nc1ccc(C#N)c2ccccc12 ZINC000206817904 KK Annotated Mild COC(=O)c1ccccc1COc1ccc(CC2(NC(=O)[C@@H](Nc3ccc(C#N)c4ccccc34)C(C)(C)C)CCCC2)cc1 ZINC000206818904 KK Annotated Mild CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C\C(=O)Nc1ccc(-c2cnc(NC(C)=O)[nH]2)cc1 ZINC000206820244 KK Annotated Anodyne Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@@H](C)OC2 ZINC000206821523 KK Annotated Reactive Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@H](C)OC2 ZINC000206821564 KK Annotated Reactive CCOC(=O)c1c(CCc2ccc(C(F)(F)F)cc2)nc2c(c1-c1ccc(C(=O)N[C@@H](C)c3ccncc3)cc1)C(=O)N1CCC[C@H]21 ZINC000206837321 KK Annotated Anodyne CC(C)=C(C(=O)OCc1ccccc1)N1C(=O)[C@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1[S@@](=O)CC(=O)OC(C)(C)C ZINC000206843334 KK Annotated Anodyne C=CCOC(=O)O[C@@H]1[C@@H](OC)O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=O)OCC=C)[C@H]1OC(=O)OCC=C ZINC000206843637 KK Annotated Mild CCOC(=O)[C@@H](Cc1cc([N+](=O)[O-])c(Oc2ccc(OC)c(Cc3ccc(OC)c(C(C)C)c3)c2)c([N+](=O)[O-])c1)NC(=O)C(F)(F)F ZINC000206850769 KK Annotated Bother O=C(Nc1ccc(CC(=O)N2CCc3cc(Cl)c(N4CCN(C/C=C\c5ccccc5)CC4)cc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000206856927 KK Annotated Bother O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N/O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000206863607 KK Annotated Mild O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)CCNC(=O)/C(=N\O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000206863649 KK Annotated Mild N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)/C=C\c3c[nH]c4c(Br)cccc34)CC1)CC2 ZINC000206865447 KK Annotated Mild Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206877406 KK Annotated Anodyne Cc1cnc(-c2ccc(NC(=O)N3CCc4cc5nccc(N6CCN7CCC[C@@H]7C6)c5cc43)c3ccccc23)o1 ZINC000206877607 KK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)N1CCc2cc3nccc(N4CCN5CCC[C@@H]5C4)c3cc21 ZINC000206886980 KK Annotated Anodyne COc1cc(O)c(C(=O)/C=C\c2ccccc2)c(O)c1[C@H]1C[C@H](c2ccccc2)Oc2c(OC)c(O)cc(OC)c21 ZINC000206889470 KK Annotated Mild CC(C)CNCc1ccc(-c2ccc(CN(CCCN3CCN(C)CC3)C(=O)/C=C\c3ccccc3)cc2)cc1 ZINC000206893684 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000206900307 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000206900352 KK Annotated Anodyne COc1cc(NC(=O)/C=C\c2cc(F)cc(F)c2F)cc(OCCN2CCC(O)(c3ccccc3)CC2)c1 ZINC000206903332 KK Annotated Anodyne COc1cc2c(cc1OCCN1CCC(N3CCCCC3)CC1)N(C(=O)/C=C\c1ccccc1OC(F)(F)F)CC2 ZINC000206906082 KK Annotated Anodyne CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(C(F)(F)F)cc43)ccc2=O)c1 ZINC000206909811 KK Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(Cc3cnc(C)cn3)C(=O)/C=C\c3ccccc3C)cc2)nc1 ZINC000206920317 KK Annotated Anodyne COc1cc(O)c([C@H]2C[C@H](c3ccccc3)Oc3c(OC)c(O)cc(OC)c32)c(O)c1C(=O)/C=C\c1ccccc1 ZINC000206950579 KK Annotated Mild C[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](C)CN7)cc6o5)cn4)[nH]c3c2)NC1 ZINC000206952486 KK Annotated Anodyne F[C@H]1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NC[C@H](F)CN7)cc6o5)cn4)[nH]c3c2)NC1 ZINC000206954463 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@]3(C)[C@@H]4Cc5c(oc(C)cc5=O)O[C@@]4(C)CC[C@@H]32)C(C)(C)[C@H]1OC(C)=O ZINC000207071063 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@H](CC)OO)cc(=O)oc2c1C(=O)[C@H](C)CC ZINC000207095125 KK Annotated Reactive C=CC[C@@H]1[C@H]2C/C(=N\NS(=O)(=O)c3ccc(C)cc3)[C@H](C)[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000207102306 KK Annotated Reactive Cc1c(O)c(C(=O)C(C)C)c(O)c2c1Oc1c(C)c(O)c(C(=O)C(C)C)c(O)c1C1=C(OC3=C2C(O)=C(C(=O)C(C)C)C(=O)[C@]3(C)O)[C@@](C)(O)C(=O)C(C(=O)C(C)C)=C1O ZINC000207110074 KK Annotated Mild CCOCc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](OC)[C@H](N)C3)ccc2F)c(F)c1 ZINC000207134099 KK Annotated Anodyne CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4ccccc4Cl)sc23)c1 ZINC000207144720 KK Annotated Anodyne in-vitro CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4CCOCC4)cc3F)n2)C[C@H]1N ZINC000207148975 KK Annotated Anodyne CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)C[C@H]1N ZINC000207149032 KK Annotated Anodyne CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@H]1N ZINC000207149158 KK Annotated Anodyne CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C(C)C)cc3F)n2)C[C@H]1N ZINC000207149228 KK Annotated Anodyne C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1n1cc(-c2ccsc2)nn1 ZINC000207149402 KK Annotated Anodyne CC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NS(=O)(=O)O)CC[C@@H](OC(C)=O)[C@H]1O2 ZINC000207153483 KK Annotated Bother CC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NS(=O)(=O)O)CC[C@@H](OC(C)=O)[C@H]1O2 ZINC000207153553 KK Annotated Anodyne COc1c(OCCCCBr)cc2oc3cc(OCCCCBr)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C ZINC000207154749 KK Annotated Reactive CC(=O)O[C@@H]1CC[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NS(=O)(=O)O)O[C@H]1[C@@H](CCCCC/C=C/C(=O)O[C@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C)O2 ZINC000207156554 KK Annotated Bother CC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@@H](N)COS(=O)(=O)O)CC[C@@H](O)[C@H]1O2 ZINC000207156623 KK Annotated Bother CC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@@H](N)COS(=O)(=O)O)CC[C@@H](OC(C)=O)[C@H]1O2 ZINC000207160038 KK Annotated Bother CC(=O)O[C@@H]1CC[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NS(=O)(=O)O)O[C@H]1[C@@H](CCCCC/C=C/C(=O)OC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C)O2 ZINC000207160111 KK Annotated Bother CC(=O)O[C@@H]1CC[C@]2(CCCCCCCCCCCCCCOC[C@@H](N)COS(=O)(=O)O)O[C@H]1[C@@H](CCCCC/C=C/C(=O)OC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C)O2 ZINC000207160173 KK Annotated Bother C[N+](C)(C)CCO[P@@](=O)(O)OC[C@H](O)COC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@@H](N)COS(=O)(=O)O)CC[C@@H](O)[C@H]1O2 ZINC000207164459 KK Annotated Bother CC(=O)O[C@@]1(C)C(=O)O[C@@H]2C[C@H]1C[C@H]2[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)C[C@@H]1C=CC(=O)OC(C)(C)[C@@H]1CC3 ZINC000207189911 KK Annotated Anodyne Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](N)[C@H](OCCC#N)[C@H](C)C3)ccc2F)c(F)c1 ZINC000207197875 KK Annotated Mild Cc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](OCCC#N)[C@H](N)C3)ccc2F)c(F)c1 ZINC000207197916 KK Annotated Mild O=C1NCCc2ccc(O)c(c2)Oc2ccc(cc2Br)/C=C\NC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2c(Br)cc(cc2Br)C/C1=N/O ZINC000207253332 KK Annotated Mild O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N\O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000207253379 KK Annotated Mild O=C1N/C=C\c2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000207253424 KK Annotated Mild COC(=O)N(C)[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C)cc3F)n2)C[C@H]1N ZINC000207286937 KK Annotated Anodyne C/C=C\C[Si]1(Cl)N(Cc2ccc(Br)cc2)[C@H]2CCCC[C@H]2N1Cc1ccc(Br)cc1 ZINC000207363394 KK Annotated Unstable C=C(C)[C@H](C=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000207379962 KK Annotated Mild C=C(C)[C@H](C=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000207380006 KK Annotated Mild C=C(C)[C@H](C=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000207380051 KK Annotated Mild C=C(C)[C@H](C=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C1=O)C2=O ZINC000207380096 KK Annotated Mild C[C@H](NCCC1CCC(NC(=O)N[C@@H](C)C(O)(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc12 ZINC000207440752 KK Annotated Anodyne C[C@H](NC(=O)NC1CCC(CCN[C@H](C)c2cccc3ccccc23)CC1)C(O)(c1ccccc1)c1ccccc1 ZINC000207440796 KK Annotated Anodyne Cc1nc2c(ccn2Cc2ccc(F)c(F)c2)c(-c2ccc3c(c2C)CCCO3)c1[C@H](OC(C)(C)C)C(=O)O ZINC000207550478 KK Annotated Anodyne in-vitro N#Cc1ccc(Nc2cc(Oc3c(Br)cc(Br)cc3Br)n3ncnc3n2)cc1 ZINC000207627811 KK Annotated Mild Cc1cc(Br)c(Oc2cc(Nc3ccc(C#N)cc3)nc3ncnn23)c(Br)c1 ZINC000207635705 KK Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000207661190 KK Annotated Mild Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Br)cc1O)O2 ZINC000207698367 KK Annotated Anodyne CCN(C1COC1)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 ZINC000207715265 KK Annotated Reactive CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N(C1CC1)C1COC1 ZINC000207720435 KK Annotated Reactive O=C(c1cnc2ccccc2c1)C(CSC(=S)N1CCCCC1)CSC(=S)N1CCCCC1 ZINC000207758620 KK Annotated Anodyne O=C(c1cnc2ccccc2c1)C(CSC(=S)N1CCSCC1)CSC(=S)N1CCSCC1 ZINC000207758687 KK Annotated Anodyne CN(Cc1cccnc1)C(=S)SCC(CSC(=S)N(C)Cc1cccnc1)C(=O)c1cnc2ccccc2c1 ZINC000207758742 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)cc4c3c2-c2cc(OC)cc(OC)c2[C@@H](c2ccc(OC)cc2)[C@H]4O)cc1 ZINC000207762960 KK Annotated Anodyne CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CCCC1 ZINC000207773095 KK Annotated Reactive CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc(Cl)cc2)ccc1O ZINC000207782904 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc(Cl)cc2Cl)ccc1O ZINC000207782965 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O ZINC000207783024 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000207783193 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc(C#N)cc2)ccc1O ZINC000207786909 KK Annotated Mild CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O ZINC000207786974 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc3ccccc3c2)ccc1O ZINC000207787032 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cccc3cccnc23)ccc1O ZINC000207787093 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cccc3ccccc23)ccc1O ZINC000207787157 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cccs2)ccc1O ZINC000207791401 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000207791466 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2ccc(Cl)s2)ccc1O ZINC000207791589 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cc(C)cc(C)c2)ccc1O ZINC000207796686 KK Annotated Clean CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O ZINC000207796802 KK Annotated Clean CCCC[P@@](=O)(O)C1=CC[C@H](NC(=O)CCCCCNC(=O)CCC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)C1 ZINC000207933760 KK Annotated Anodyne CC1=C(I)C(C)=[N+]2C1=C(c1ccc(-c3cn(CC(=O)OC(C)(C)C)nn3)cc1)c1c(C)c(I)c(C)n1[B-]2(F)F ZINC000207952337 KK Annotated Anodyne O=S(=O)(O)c1cccc2c1-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1c(S(=O)(=O)O)cccc21 ZINC000208051715 KK Annotated Bother C=C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 ZINC000208144244 KK Annotated Reactive CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000208144319 KK Annotated Anodyne CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C ZINC000208144366 KK Annotated Anodyne COC(OC)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 ZINC000208144483 KK Annotated Reactive CC(C)(C)[Si](OC[C@H](O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1OCCO1)(c1ccccc1)c1ccccc1 ZINC000208164578 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@H](C)CCC/C(C)=C\CC1=C(C)C(=O)c2ccccc2C1=O ZINC000208216828 KK Annotated Mild CC1=C[C@H]2O[C@@]3(C[C@H](C)[C@H]2C[C@@H]1O)CC(C)(C)C(C(=O)CCc1ccc(O)cc1)=C(/C=C/c1ccc(O)cc1)O3 ZINC000208221199 KK Annotated Mild COc1cc(/C=C/C2=C(C(=O)CCc3ccc(O)c(OC)c3)C(C)(C)C[C@@]3(C[C@H](C)[C@H]4CCC(C)=C[C@H]4O3)O2)ccc1O ZINC000208232538 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000208232588 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)[C@@H]2[C@H]3C=C(C)[C@H](C[C@@H]3[C@@H](C)CCC=C(C)C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000208232631 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@H](C=C3C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000208232689 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C=C(C)[C@@H]2C[C@@H]3[C@@H](C)CCC=C(C)C)ccc1O ZINC000208243557 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CC(=O)C=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000208243607 KK Annotated Mild COc1cc(/C=C/C(=O)C(C(=O)/C=C/c2ccc(O)c(OC)c2)[C@H]2C=C(C)[C@H]3C[C@@H]2[C@@H](C)C[C@H]3C=C(C)C)ccc1O ZINC000208243681 KK Annotated Mild Oc1ccc([C@@H](O)[C@H](/C(=C/c2ccc3c(c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)c2cc(O)cc(O)c2)c2cc(O)cc(O)c2)cc1 ZINC000208298398 KK Annotated Anodyne C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccc(-n5c6ccccc6c6cc7c(cc65)CC[C@@H]5[C@]7(C)CC[C@H](O)[C@@]5(C)C(=O)O)cc4c3cc12 ZINC000208395537 KK Annotated Anodyne CCN(Cc1cc(C(F)(F)F)ccc1-n1cc(CC(=O)O)c2ccc(C)nc21)C(=O)NCc1ccccc1 ZINC000208715859 KK Annotated Anodyne CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@@H]2CC[C@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000208937739 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@@H]2CC[C@@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000208937868 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC ZINC000208951086 KK Annotated Reactive COC(c1ccc(N(C(=O)c2c(C)nn(C)c2C)C(=O)C(C)C)cc1CC(C)C)(C(F)(F)F)C(F)(F)F ZINC000209060956 KK Annotated Anodyne in-vitro COc1ccc2c(c1OC)[C@@H](CC1=C[C@H]3[C@H](CC1)[C@](C)(OC)CC[C@@H]3C(C)C)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000209084253 KK Annotated Anodyne COc1ccc2c(c1OC)[C@@H](CC1=C[C@H]3[C@H](CC1)[C@@](C)(OC)CC[C@@H]3C(C)C)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000209084321 KK Annotated Anodyne C/C1=C\C=C\CC[C@@H](C)[C@@H](Cc2cnco2)OC(=O)/C(C)=C/C=C/CC[C@@H](C)[C@@H](Cc2cnco2)OC1=O ZINC000209119702 KK Annotated Anodyne C/C1=C\C=C\CC[C@@H](C)[C@@H](Cc2cnco2)OC(=O)/C=C/C=C/CC[C@@H](C)[C@@H](Cc2cnco2)OC1=O ZINC000209119750 KK Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2OCc1ccccc1 ZINC000209196030 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H]([C@H](O)COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000209196058 KK Annotated Anodyne O=Cc1ccc2c(c1C#Cc1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(O)ccc1-2 ZINC000209453526 KK Annotated Mild OCc1ccc2c(c1C#Cc1ccc(O)cc1)C(c1ccc(O)cc1)(c1ccc(O)cc1)c1cc(O)ccc1-2 ZINC000209453568 KK Annotated Mild COc1ccc(C2(c3ccc(OC)cc3)c3cc(O)ccc3-c3ccc(C=O)c(C#Cc4ccc(O)cc4)c32)cc1 ZINC000209463878 KK Annotated Mild in-vitro CCOC(=O)CCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000209472135 KK Annotated Mild CC(C)(C)OC(=O)CCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000209472230 KK Annotated Mild O=C(O)CCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000209483092 KK Annotated Mild CC1CCC(Cn2c(N3CCC[C@H]4COCC[C@@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209607097 KK Annotated Anodyne CC1CCC(Cn2c(N3CCC[C@@H]4COCC[C@@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209607132 KK Annotated Anodyne CC1CCC(Cn2c(N3CCO[C@@H]4CN(Cc5ccccc5)CC[C@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642498 KK Annotated Anodyne CC1CCC(Cn2c(N3CCO[C@@H]4CN(C(=O)OCc5ccccc5)CC[C@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642716 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Br)cc3)C(C(=O)O)=CC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000209863132 KK Annotated Anodyne CC(=O)O[C@@H](C)CC(=O)OC[C@]12CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@H](C1=CC(=O)O[C@@H]1OC(C)=O)O2 ZINC000209981434 KK Annotated Anodyne CC(=O)O[C@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@](COC(=O)C[C@@H](C)OC(C)=O)(CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)O1 ZINC000209981466 KK Annotated Anodyne CC(=O)O[C@@H](C)CC(=O)OC[C@]12CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H](C1=CC(=O)O[C@@H]1OC(C)=O)O2 ZINC000209981607 KK Annotated Anodyne CC(=O)O[C@H]1OC(=O)C=C1[C@@H]1C[C@@H]2[C@](COC(=O)C[C@@H](C)OC(C)=O)(CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)O1 ZINC000209981636 KK Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccc(-c3ccc(OC(F)(F)F)cc3)cc1S2(=O)=O ZINC000209981808 KK Annotated Anodyne CC(=O)O[C@@H](C)CC(=O)OC[C@]12CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H](C1=CC(=O)O[C@H]1OC(C)=O)O2 ZINC000209982033 KK Annotated Anodyne CC(=O)O[C@H](C)CC(=O)OC[C@]12CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]3(C)[C@@H]1C[C@@H](C1=CC(=O)O[C@H]1OC(C)=O)O2 ZINC000209982065 KK Annotated Anodyne C[C@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000209982150 KK Annotated Anodyne C[C@@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000209982177 KK Annotated Anodyne COc1ccccc1CNC(=O)C1=C(N)N(S(=O)(=O)c2ccc(C)cc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc2ccccc2c1 ZINC000209982219 KK Annotated Anodyne COc1ccccc1CNC(=O)C1=C(N)N(S(=O)(=O)c2ccc(C)cc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc2ccccc2c1 ZINC000209982248 KK Annotated Anodyne Brc1ccc(-c2nc3n(c2-c2ccc(Br)cc2)Cc2cnnn2-c2ccccc2-3)cc1 ZINC000209983471 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@@H](C)[C@H]4CC(=O)O)cc3)c(C)c2)c1 ZINC000210009125 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@@H](C)[C@@H]4CC(=O)O)cc3)c(C)c2)c1 ZINC000210009153 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@H](C)[C@H]4CC(=O)O)cc3)c(C)c2)c1 ZINC000210009185 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(Cc3ccc(N4N=C(c5ccccc5)[C@H](C)[C@@H]4CC(=O)O)cc3)c(C)c2)c1 ZINC000210009219 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H](C(=O)COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000210108607 KK Annotated Anodyne CC1(C)O[C@@H]2[C@@H](C(=O)COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000210108634 KK Annotated Anodyne CCC[C@@H]1OCc2c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)nc(C)c2O1 ZINC000210368435 KK Annotated Reactive CCC[C@H]1OCc2c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)nc(C)c2O1 ZINC000210368466 KK Annotated Reactive CC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210368520 KK Annotated Reactive CC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210368553 KK Annotated Reactive CCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210368603 KK Annotated Reactive CCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210368638 KK Annotated Reactive Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@@H](C(C)C)OC2 ZINC000210373095 KK Annotated Reactive Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@H](C(C)C)OC2 ZINC000210373119 KK Annotated Reactive CCCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210373445 KK Annotated Reactive CCCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210373477 KK Annotated Reactive CCCCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210373521 KK Annotated Reactive CCCCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210373552 KK Annotated Reactive CCCCCCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210377559 KK Annotated Reactive CCCCCCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 ZINC000210377597 KK Annotated Reactive Cc1ccc([P+](Cc2nc(C)c3c(c2C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)COC(C)(C)O3)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000210377647 KK Annotated Reactive Cc1nc(C[P+](c2cccs2)(c2cccs2)c2cccs2)c(C[P+](c2cccs2)(c2cccs2)c2cccs2)c2c1OC(C)(C)OC2 ZINC000210382287 KK Annotated Reactive Cc1nc(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c2c1OC(C)(C)OC2 ZINC000210382323 KK Annotated Reactive Cc1ccc([P+](Cc2nc(C)c(O)c(CO)c2C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000210387241 KK Annotated Reactive Cc1nc(C[P+](c2cccs2)(c2cccs2)c2cccs2)c(C[P+](c2cccs2)(c2cccs2)c2cccs2)c(CO)c1O ZINC000210391921 KK Annotated Reactive Cc1nc(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c(CO)c1O ZINC000210391971 KK Annotated Reactive C=C1CC[C@H](C(C)(C)O)[C@@](C)(CCC(=O)OC)[C@@H]1CC[C@@H]1C(C)=CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000210444643 KK Annotated Mild COC1=CC(=O)C(c2c(O)cc(OC)c3c2C=C[C@@](C)(CCC=C(C)C)O3)=C(C/C=C(/C)CCC=C(C)C)C1=O ZINC000210465041 KK Annotated Mild C=CC(C)(C)c1cc(C(=O)c2c(-c3cc(-c4cc5cc(C(C)(C)C=C)c(O)cc5oc4=O)c(O)cc3O)oc3cc(O)ccc23)c(O)cc1O ZINC000210523185 KK Annotated Mild C=CC(C)(C)c1cc(-c2oc3cc(O)ccc3c2Cc2cc(-c3cc4cc(C(C)(C)C=C)c(O)cc4oc3=O)c(O)cc2O)c(O)cc1O ZINC000210530711 KK Annotated Mild C=CC(C)(C)c1cc2c(cc1O)OC[C@H](c1cc(-c3oc4cc(O)ccc4c3C(=O)c3cc(C(C)(C)C=C)c(O)cc3O)c(O)cc1O)C2 ZINC000210530753 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]2(C[C@@H](C)C=C[C@H]2/C=C\c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000210592065 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/NC(=O)[C@]2(C[C@@H](C)C=C[C@H]2/C=C\c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000210592102 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/NC(=O)[C@]2(C[C@@H](C)C=C[C@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000210592129 KK Annotated Mild CC(=O)OC1=C(CC=C(C)C)C(=O)[C@@]2(C(=O)c3ccccc3)C(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)C2(C)C ZINC000210606762 KK Annotated Mild COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C/CC/C(C)=C/C3)c(O)c2c1C/C=C(/C)CC/C=C(/C)C2 ZINC000210637204 KK Annotated Anodyne in-man COc1c(Cc2c(O)c(CC=C(C)C)c(O)c(C(=O)/C=C/c3ccc(O)cc3)c2OC)c(O)cc(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000210746426 KK Annotated Mild C=C1CCC[C@@H]2[C@@]3(C)[C@@H](OC(=O)c4ccccc4)C[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000210803195 KK Annotated Mild C=C1CC[C@@H](OC(=O)c2ccccc2)[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](O)[C@]1(C)O[C@@]3(CC[C@]21C)COC(=O)C3 ZINC000210803238 KK Annotated Mild Oc1ccc(/C=C\c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000210976644 KK Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN(C(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1c1ccc2c(c1)OCO2 ZINC000210995705 KK Annotated Reactive CC1(C)/C=C\C2=Nc3cc(Br)cc(Br)c3[C@@]23CC(=O)N3/C=C(/Cl)c2nc(Br)[nH]c21 ZINC000211004011 KK Annotated Anodyne CC1(C)/C=C/C2=Nc3cc(Br)cc(Br)c3[C@@]23CC(=O)N3/C=C(/Cl)c2nc(Br)[nH]c21 ZINC000211004041 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000211063016 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000211063110 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)C=C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000211190763 KK Annotated Mild CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1OCC(F)(F)F ZINC000211220630 KK Annotated Anodyne in-vitro COc1c(O)c(C)cc2c1C1=C(C3=C4C(=CC(=O)c5cc(C)c(O)cc54)C(C)(C)C3=O)C(=O)C(C)(C)C1=CC2=O ZINC000211239564 KK Annotated Mild COc1cc(CCC(=O)/C=C(\O)CCc2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C ZINC000211243422 KK Annotated Reactive COc1cc2c(cc1C)C(=O)C=C1C2=C(C2=C3C(=CC(=O)c4cc(C)c(O)cc43)C(C)(C)C2=O)C(=O)C1(C)C ZINC000211243886 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@]2(C3=CC(=O)C(C)(C)O3)C[C@@H](C/C(C)=C/CC/C(C)=C\C(=O)O)C=C(C)[C@]23C=CC(C)(C)O3)C1 ZINC000211334500 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@@H]2C[C@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)CC3=C2OC(C)(C)C3=O)C1 ZINC000211334578 KK Annotated Mild Cc1ccc([C@H]2CC=C(C(=O)O)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000211339763 KK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000211339833 KK Annotated Anodyne Cc1ccc([C@H]2CC=C(C(=O)O)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000211339887 KK Annotated Anodyne COC(=O)C1=Cc2c(ccc(OC)c2OC)[C@H](c2nccc3cc4c(cc23)OCO4)[C@@H]1c1ccc(O)c(OC)c1 ZINC000211369092 KK Annotated Anodyne C#CCCCCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000211442492 KK Annotated Reactive C#CCCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]23)OCO5 ZINC000211466387 KK Annotated Reactive COc1ccc(O)cc1[C@H]1OC[C@]2(O[Si](C)(C)C(C)(C)C)[C@@H](Oc3c(OC)cccc3OC)OC[C@H]12 ZINC000211482858 KK Annotated Reactive COc1ccc(O[Si](C)(C)C(C)(C)C)cc1[C@H]1OC[C@]2(O[Si](C)(C)C(C)(C)C)[C@@H](Oc3c(OC)cccc3OC)OC[C@H]12 ZINC000211508068 KK Annotated Reactive COc1ccc(O[Si](C)(C)C(C)(C)C)cc1[C@H]1OC[C@]2(O[Si](C)(C)C(C)(C)C)[C@H](Oc3c(OC)cccc3OC)OC[C@H]12 ZINC000211508149 KK Annotated Reactive Cc1ccc([P+](Cc2nc(C)c(O)c(CO)c2C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)cc1 ZINC000211514264 KK Annotated Reactive CC(C)CC[C@H](O)[C@@H](C)COCc1ccc(S(=O)(=O)N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)cc1 ZINC000211518400 KK Annotated Anodyne COc1cc(OC)c([C@@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O)cc2)c(OC)c1 ZINC000211522281 KK Annotated Reactive COc1cc(OC)c([C@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O)cc2)c(OC)c1 ZINC000211522364 KK Annotated Reactive COc1cc(OC)c([C@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(OC(C)=O)cc2)c(OC)c1 ZINC000211522495 KK Annotated Reactive COc1cc(OC)c([C@@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(OC(C)=O)cc2)c(OC)c1 ZINC000211522565 KK Annotated Reactive COc1cc(OC)c([C@@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1 ZINC000211522658 KK Annotated Reactive COc1cc(OC)c([C@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1 ZINC000211522723 KK Annotated Reactive C#CCCCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000211568087 KK Annotated Reactive Cc1ccc([P+](Cc2nc(C)c3c(c2C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)COC(C)(C)O3)(c2cccc(C)c2)c2cccc(C)c2)cc1 ZINC000211591978 KK Annotated Reactive C#CCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]23)OCO5 ZINC000211593850 KK Annotated Reactive COC1=CC(=O)C([C@@H](CCc2ccc(O)c(OC)c2)c2cc(CCCc3ccc(O)c(OC)c3)c(O)cc2OC)=CC1=O ZINC000211833038 KK Annotated Mild CO[C@@H]1CN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)C[C@@H]1N(C)C ZINC000212100873 KK Annotated Anodyne N#Cc1c(Nc2ccccc2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212131538 KK Annotated Mild N#Cc1c(Nc2ccccc2Cl)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212131637 KK Annotated Mild N#Cc1c(Nc2ccccc2F)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212131721 KK Annotated Mild Cc1ccccc1Nc1nc(SCc2cn(Cc3ccccc3Cl)nn2)nc(-c2ccccc2)c1C#N ZINC000212137218 KK Annotated Mild COc1ccccc1Nc1nc(SCc2cn(Cc3ccccc3Cl)nn2)nc(-c2ccccc2)c1C#N ZINC000212137331 KK Annotated Mild N#Cc1c(Nc2cccc(C(F)(F)F)c2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212137418 KK Annotated Mild N#Cc1c(Nc2cccc(Cl)c2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212137512 KK Annotated Mild Cc1cccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccccc3)c2C#N)c1 ZINC000212137609 KK Annotated Mild N#Cc1c(Nc2cccc([N+](=O)[O-])c2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212141936 KK Annotated Mild N#Cc1c(Nc2ccc(Cl)cc2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212142044 KK Annotated Mild N#Cc1c(Nc2ccc(F)cc2)nc(SCc2cn(Cc3ccccc3Cl)nn2)nc1-c1ccccc1 ZINC000212142136 KK Annotated Mild COc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccccc3)c2C#N)cc1 ZINC000212142229 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccccc3)c2C#N)cc1 ZINC000212142320 KK Annotated Mild Cc1ccccc1Nc1nc(SCc2cn(Cc3ccc(Cl)cc3)nn2)nc(-c2ccccc2)c1C#N ZINC000212147473 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccc(Cl)cc4)nn3)nc(-c3ccccc3)c2C#N)cc1 ZINC000212147564 KK Annotated Mild Cc1ccc(Cn2cc(CSc3nc(Nc4ccccc4C)c(C#N)c(-c4ccccc4)n3)nn2)cc1 ZINC000212147655 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccc(F)cc4)nn3)nc(-c3ccccc3)c2C#N)cc1 ZINC000212147750 KK Annotated Mild N#Cc1c(Nc2ccccc2F)nc(SCc2cn(Cc3ccc(Cl)cc3)nn2)nc1-c1ccccc1 ZINC000212147850 KK Annotated Mild Cc1ccc(Cn2cc(CSc3nc(Nc4ccccc4F)c(C#N)c(-c4ccccc4)n3)nn2)cc1 ZINC000212152040 KK Annotated Mild Cc1ccc(Cn2cc(CSc3nc(Nc4ccc(C)cc4)c(C#N)c(-c4ccccc4)n3)nn2)cc1 ZINC000212152144 KK Annotated Mild Cc1ccc(Cn2cc(CSc3nc(Nc4ccccc4Cl)c(C#N)c(-c4ccccc4)n3)nn2)cc1 ZINC000212152228 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000212152324 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000212152423 KK Annotated Mild COc1cc(-c2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(Nc3ccc(C)cc3)c2C#N)cc(OC)c1OC ZINC000212156429 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000212156514 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccc(Br)cc3)c2C#N)cc1 ZINC000212156607 KK Annotated Mild COc1ccc(Nc2nc(SCc3cn(Cc4ccccc4Cl)nn3)nc(-c3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000212156711 KK Annotated Mild CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc3c2[C@@H](c2cc(OC(C)=O)cc(OC(C)=O)c2)[C@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)O3)cc1 ZINC000212260610 KK Annotated Anodyne CC/C(C)=C/C(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000212288867 KK Annotated Mild C=CC1=C(C)C2=CC3=NC(=CC4=NC(=C(CCC(=O)O)/C4=C/O)C=c4[nH]c(c(C)c4CCC(=O)O)=CC1=N2)C(C)=C3[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000212612236 KK Annotated Anodyne in-vitro COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000212625598 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000212625664 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000212625734 KK Annotated Mild CN(C)[C@@H]1CCCC[C@@H]1NC(=S)N[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000212777498 KK Annotated Anodyne CCCCCCCOc1c(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)c1OCCCCCCC ZINC000212901354 KK Annotated Reactive [O-]/[N+](CCCCCCCCCC/C=C\CCc1cccnc1)=N\CCCCCCCCCCCCCc1cccnc1 ZINC000213813271 KK Annotated Clean [O-]/[N+](CCCCCCCCCC/C=C\CCc1cccnc1)=N\CCCCCCCCCCCCc1cccnc1 ZINC000213813329 KK Annotated Clean [O-]/[N+](CCCCCCCCCC/C=C\CCc1cccnc1)=N\CCC/C=C\CCCCCCCCCc1cccnc1 ZINC000213819661 KK Annotated Clean [O-]/[N+](CCCCCCCCCC/C=C\CCc1cccnc1)=N\CCCCCCCC/C=C\CCCCc1cccnc1 ZINC000213819819 KK Annotated Clean CC(C)=C[C@@H]1C[C@@](C)(/C=C/c2[nH]c3ccccc3c2CCN(C)C)n2c1c(CCN(C)C)c1ccccc12 ZINC000213839052 KK Annotated Anodyne CC(C)=C[C@H]1C[C@@](C)(/C=C\c2[nH]c3ccccc3c2CCN(C)C)n2c1c(CCN(C)C)c1ccccc12 ZINC000213839113 KK Annotated Anodyne CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-c3ccccc3)cc2-c2ccccc2)[C@H]1NC(C)=O ZINC000213848829 KK Annotated Anodyne Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(C)CC5)cc4F)c3c2)c(F)c1 ZINC000214010468 KK Annotated Clean Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)ccc1NC(=O)c1cccc(Cl)c1C(=O)NC(C)(C)C#N ZINC000214013574 KK Annotated Mild in-vitro CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)c4ncon4)c3)cc12 ZINC000214046083 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C(=O)NC(C)(C)c4ncon4)c3)cc12 ZINC000214046160 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12 ZINC000214093111 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)c4ncon4)c3)cc12 ZINC000214105612 KK Annotated Anodyne Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000214137118 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC4(c5ncon5)CCC4)c3)cc12 ZINC000214207934 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)c4nc(C)no4)c3)cc12 ZINC000214218330 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC4(c5nc(C)no5)CC4)c3)cc12 ZINC000214218414 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)c4nc(C)no4)c3)cc12 ZINC000214218492 KK Annotated Anodyne COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)C[C@@H]2C[C@H](O)CCc1ccc(O)cc1 ZINC000214238896 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCNC3CCCCC3)O5)ccc2OC)c1 ZINC000214533443 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCNC3CCCCC3)O5)ccc2OC)c1 ZINC000214533493 KK Annotated Anodyne COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@H](c1ccccc1)C3)C(C)C ZINC000214567449 KK Annotated Anodyne COC(=O)[C@H](NC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@H](c1ccccc1)C3)C(C)C ZINC000214567502 KK Annotated Anodyne COC(=O)[C@H](NC(=O)N1CCc2nc(-c3ccc(OC)cc3C)c3c(c2C1)CO[C@@H](c1ccccc1)C3)C(C)C ZINC000214567566 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@@H]2c3c(/C=C/c4ccc(OC(C)=O)c(OC(C)=O)c4)cc(OC(C)=O)cc3O[C@H]2c2ccc(OC(C)=O)c(OC(C)=O)c2)c1 ZINC000214614550 KK Annotated Anodyne COc1cc(C[C@@H]2c3cc(OC)c4c(c3CCN2C)OCO4)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1OC ZINC000214661608 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCC1=C(c2c(O)cc(OC)cc2CCCCCCCCC/C=C\CCCC)C(=O)C=C(OC)C1=O ZINC000214892590 KK Annotated Mild CC1(C)C[C@@H]2c3c(cc(-c4cc5ccc(O)cc5o4)cc3O1)O[C@@H]1c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3OC(C)(C)[C@H]21 ZINC000214974198 KK Annotated Anodyne CC(C)CCCCCCC/C=C/CCC(=O)O[C@@H](CCCCCCCCCCC(C)C)CC(=O)NCC(=O)O ZINC000215225178 KK Annotated Anodyne CCCCN(CCCC)CC[C@H](OC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000215284812 KK Annotated Anodyne CCCCN(CCCC)CC[C@@H](OC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000215284863 KK Annotated Anodyne CCCCN(CCCC)CC[C@H](OC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000215285113 KK Annotated Anodyne CCCCN(CCCC)CC[C@@H](OC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 ZINC000215285153 KK Annotated Anodyne C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCc1cc3c(cc12)c1ccccc1n3-c1c2c(cc3c1[nH]c1ccccc13)[C@@]1(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC2 ZINC000215295692 KK Annotated Anodyne FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)nc(SCc3nc4ccc(Cl)cc4[nH]3)n2)c1 ZINC000215311907 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Br)cccc2c1 ZINC000215493002 KK Annotated Anodyne CN1CC=C(c2cc(C(F)(F)F)ccc2-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)CC1 ZINC000215494996 KK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Br)nccc2c1 ZINC000215495069 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)nccc2c1 ZINC000215495339 KK Annotated Anodyne CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)CC1 ZINC000215495609 KK Annotated Anodyne CN1CC(n2nccc2-c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc23)C1 ZINC000215496035 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccnn3C3CNC3)cccc2c1 ZINC000215496102 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-n3ccnc3)nccc2c1 ZINC000215504238 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Br)nccc2c1 ZINC000215504776 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)nccc2c1 ZINC000215506037 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215511461 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215511531 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215511602 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3cnsn3)ccc12 ZINC000215511672 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3ccon3)ccc12 ZINC000215511737 KK Annotated Anodyne COc1cc(-c2cccc(C(F)(F)F)c2)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215512067 KK Annotated Mild COc1cc(-c2cccc(F)c2)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215512132 KK Annotated Mild COc1cc(-c2cccc(F)c2)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215512205 KK Annotated Mild COc1cc(-c2cccc(F)c2)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3ccon3)ccc12 ZINC000215512273 KK Annotated Mild COc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215512782 KK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)c(F)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215513981 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(F)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215514049 KK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccnc(C)n3)ccc12 ZINC000215514551 KK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3cc(C)ncn3)ccc12 ZINC000215514621 KK Annotated Anodyne COc1cc(Cl)ccc1-c1ccc(-c2nccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)c(OC)c1 ZINC000215518839 KK Annotated Anodyne COc1cc(Oc2ccc(F)cc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215518972 KK Annotated Anodyne COc1cc(Oc2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215519046 KK Annotated Anodyne COc1cc(-c2ccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c(OC)c2)ccc1F ZINC000215519174 KK Annotated Anodyne COc1nc(-c2cccc(F)c2)c(Cl)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000215519915 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000215523765 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215523833 KK Annotated Anodyne COc1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1ncnc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000215524164 KK Annotated Anodyne NCCCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000215551666 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000215603074 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000215603122 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(=O)nc(NC(=O)C(C)C)[nH]c43)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000215603164 KK Annotated Mild CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21 ZINC000215615619 KK Annotated Anodyne CCCCCCCCOC(=O)CCCC1(c2ccccc2)[C@@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@]513 ZINC000215616987 KK Annotated Mild CCCCCCCCOC(=O)CCCC1(c2ccccc2)[C@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@@]513 ZINC000215617045 KK Annotated Mild CCCCOC(=O)CCCC1(c2ccccc2)[C@@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@]513 ZINC000215617669 KK Annotated Bother CCCCOC(=O)CCCC1(c2ccccc2)[C@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@@]513 ZINC000215617730 KK Annotated Bother COc1cc([C@@H]2Cc3[nH]c4ccc(Br)cc4c3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)cc(OC)c1OC ZINC000215623505 KK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(CN5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000215726605 KK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(N5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000215726746 KK Annotated Anodyne Cc1ccc(P(c2ccc(C)cc2)c2ccccc2CN(Cc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)[C@@H]2CCCC[C@@H]2N)cc1 ZINC000215765824 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2CN(Cc2ccccc2P(c2ccc(C)cc2)c2ccc(C)cc2)[C@H]2CCCC[C@H]2N)cc1 ZINC000215765879 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2CN(Cc2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@@H]2CCCC[C@@H]2N)c1 ZINC000215765928 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2CN(Cc2ccccc2P(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)[C@H]2CCCC[C@H]2N)c1 ZINC000215765986 KK Annotated Reactive N[C@H]1CCCC[C@H]1N(Cc1ccccc1P(c1ccccc1)c1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1 ZINC000215766031 KK Annotated Reactive N[C@@H]1CCCC[C@@H]1N(Cc1ccccc1P(c1ccccc1)c1ccccc1)Cc1ccccc1P(c1ccccc1)c1ccccc1 ZINC000215766130 KK Annotated Reactive O=C(NCCOCCOCCNc1nc(Nc2ccc(O)cc2)nc(Nc2ccc(C(=O)NCc3ccccc3-c3ccccc3)cc2)n1)c1ccccc1 ZINC000215833975 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(c2)CCN3C)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000215889643 KK Annotated Anodyne CCNc1cc([C@@H](c2ccccc2)N2CCC[C@H](n3cc(C)c(=O)[nH]c3=O)C2)cc(Oc2cccc(Cl)c2)c1C(=O)O ZINC000215992901 KK Annotated Anodyne in-vitro CNc1c(-c2ccccc2)c(-c2ccc(CN3CC(c4nc(-c5cccc(C)n5)n[nH]4)C3)cc2)nc2nc(C)cn12 ZINC000216212803 KK Annotated Anodyne O=C(NS(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216269234 KK Annotated Anodyne O=c1occ(-c2ccc(O)cc2[N+](=O)[O-])c2c1C=C/C(=C/C=C1/C=Cc3c(c(-c4ccc(O)cc4[N+](=O)[O-])coc3=O)O1)O2 ZINC000216400790 KK Annotated Bother O=c1occ(-c2ccc(O)cc2[N+](=O)[O-])c2c1C=C/C(=C/C=C1\C=Cc3c(c(-c4ccc(O)cc4[N+](=O)[O-])coc3=O)O1)O2 ZINC000216400832 KK Annotated Bother CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000216438869 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000216438921 KK Annotated Reactive CC(=O)Oc1c(Br)cc(/C=C2/OC(=O)C=C2c2cc(Br)c(OC(C)=O)c(Br)c2)cc1Br ZINC000216721480 KK Annotated Anodyne COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000216855507 KK Annotated Anodyne COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)O)C(C)C)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000216872230 KK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(C(F)(F)F)cc2O)cc(Cl)c1Cl ZINC000216873696 KK Annotated Anodyne Brc1cc2[nH]c(Br)c(-c3c(Br)[nH]c4cc(Br)c(Br)cc34)c2cc1Br ZINC000217054756 KK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(N(C)C)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217060796 KK Annotated Anodyne O=S(=O)([C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(Cl)cc1 ZINC000217108206 KK Annotated Anodyne in-vitro COC(=O)c1cc2cc(NCc3cc(NC(=O)Cc4ccccc4Br)ccc3C)cnc2[nH]1 ZINC000217115931 KK Annotated Anodyne COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(-c5csc(C)n5)cc4)ccc3C)cnc2[nH]1 ZINC000217119694 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CN4CCN(c5ccccc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000217119877 KK Annotated Reactive COC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000217125753 KK Annotated Anodyne Cc1c(C(=O)NC2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000217333764 KK Annotated Anodyne CCN(CC)Cc1ccc(C)c(NC(=O)c2ccc(Nc3nccc(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1 ZINC000217338246 KK Annotated Anodyne Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000217353163 KK Annotated Anodyne Cc1ccc(CN2CCN(C)CC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000217355255 KK Annotated Anodyne Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000217355364 KK Annotated Anodyne Cc1ccc(CN2CCCCC2)cc1NC(=O)c1ccc(Nc2ncc(F)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1 ZINC000217355465 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4nc(-c5ccccc5)cs4)cc32)c1C ZINC000217392709 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c1C ZINC000217464831 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)o4)cc32)c1C ZINC000217481327 KK Annotated Anodyne C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCCCC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217539808 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccc(N7CCN(C(C)=O)CC7)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217540058 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccccc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217540677 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(N)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217540780 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccc(N7CCOCC7)nc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217542832 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6cccc(O)c6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217543367 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)NC6CCC(NC(=O)OC(C)(C)C)CC6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217544087 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(OC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217544969 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(N)nc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217545535 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(OCCCN6CCCCC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217548626 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCCN6CCCC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217548743 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(NCCCN6CCCC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217548826 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCCN6CCCC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217548903 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCCN6CCCC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217548984 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6cccc(OCc7ccccc7)c6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217549652 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5cccc(C(=O)Nc6ccc(N7CCN(c8ccc(OC)cc8)CC7)cc6)c5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217550121 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)CCCCCCC)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217551187 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(N(C)C)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217551422 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(CN(CC)CC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217551763 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCCC7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217553704 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCCC7)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217553792 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCCC7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217553870 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCCC7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217553947 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5cccc(C(=O)Nc6ccccc6)c5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217554072 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(Cc7ccc(OC)cc7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217554199 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(Cc7ccc(OC)cc7)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217554280 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(Cc7ccc(OC)cc7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217554358 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(Cc7ccc(OC)cc7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217554451 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=S)NC(=O)c6ccccc6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217554559 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccccc7OC)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217555333 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccccc7OC)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217555427 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccccc7OC)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217555497 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccccc7OC)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217555594 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=S)NC(=O)OCC)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217556055 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6cccc(C(N)=O)c6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217556309 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)NN6CCN(c7ccccn7)CC6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217556529 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(NC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217557192 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(N(CC)CC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217558018 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N(CCN(CC)CC)CCN(CC)CC)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217564629 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N(CCN(CC)CC)CCN(CC)CC)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217564725 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N(CCN(CC)CC)CCN(CC)CC)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217564827 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N(CCN(CC)CC)CCN(CC)CC)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217564906 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCC7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217565036 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCC7)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217565112 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCC7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217565205 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCC(N7CCCC7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217565300 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NC6CC(C)(C)N(C)C(C)(C)C6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217565639 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(NC6CC(C)(C)N(C)C(C)(C)C6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217565728 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NC6CC(C)(C)N(C)C(C)(C)C6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217565805 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NC6CC(C)(C)N(C)C(C)(C)C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217565879 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C#N)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217566694 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)(C)C)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217567504 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)(C)C)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217567592 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)(C)C)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217567673 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C(C)(C)C)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217567738 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccc(C(F)(F)F)cc7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217567955 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccc(C(F)(F)F)cc7)CC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217568043 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccc(C(F)(F)F)cc7)CC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217568125 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(c7ccc(C(F)(F)F)cc7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217568213 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccccc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217568847 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)N6CCSCC6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217569191 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccc(N)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217569375 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6cccc(OC(C)C)c6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217569490 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccc(N7CCN(C)CC7)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217569718 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6cccc(OC)c6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217570283 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)CCCNCCC(C)=O)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217570507 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccc(OC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217570588 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)NCC(C)(C)C)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217570696 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)Nc6ccc(OCCCC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217571010 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)NNC(C)(C)C)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217571455 KK Annotated Reactive C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)NCc6ccccc6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217573648 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN(CC)CC)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217575698 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN(CC)CC)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217575788 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN(C(C)C)C(C)C)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217576270 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(NCCN(C(C)C)C(C)C)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217576350 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN(C(C)C)C(C)C)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217576431 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN(C(C)C)C(C)C)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217576517 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CCN(C7CCCC7)CC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217577194 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@]7(CCN(CC)C7)C6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217577849 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@@]7(CCN(CC)C7)C6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217577938 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5cnc6ccccc6c5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217579422 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(OC(C)(C)C)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217581007 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN6CCCCC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217581126 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(NCCN6CCCCC6)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217581224 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN6CCCCC6)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217581307 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCCN6CCCCC6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217581400 KK Annotated Mild C=CCN1CC(=O)N2[C@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCC(C)(C)C)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217581507 KK Annotated Mild C=CCN1CC(=O)N2[C@H](CN(Cc3cccc4c(C(=O)Nc5ccc(NCC(C)(C)C)nc5)cn(C)c34)C(=O)[C@H]2Cc2ccc(O)cc2)N1C(=O)NCc1ccccc1 ZINC000217581582 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCC(C)(C)C)nc5)cn(C)c34)C[C@H]2N1C(=O)NCc1ccccc1 ZINC000217581675 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(NCC(C)(C)C)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217581752 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)OC)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000217583555 KK Annotated Mild O=C(c1ccc(NS(=O)(=O)c2cc(F)cc3scnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217613973 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217615430 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000217616053 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1 ZINC000217617386 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2ccccc2C(F)F)CC1 ZINC000217619611 KK Annotated Anodyne O=C(c1c(F)cc(NS(=O)(=O)c2cccc3cccnc23)cc1F)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217620426 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3scnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217624939 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1OC(F)F)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217626078 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1OC(F)(F)F)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217628150 KK Annotated Anodyne Cc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217631589 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1 ZINC000217632716 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3cccnc23)cc1)N1CCC(O)(Cc2ccccc2C(F)(F)F)CC1 ZINC000217633517 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c2ccccc12)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217634116 KK Annotated Anodyne CC(F)(F)CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc34)cc2OC(F)F)CC1 ZINC000217749811 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(OC(F)F)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217762708 KK Annotated Anodyne Cc1ncc(-c2cccc(-c3nc4c(n3C(C)C)[C@@H](c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)[nH]1 ZINC000217835309 KK Annotated Anodyne Cc1ncc(-c2cccc(-c3nc4c(n3C(C)C)[C@H](c3ccc(Cl)cc3)N(c3cc(Cl)ccc3C)C4=O)c2)[nH]1 ZINC000217835398 KK Annotated Anodyne CN(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(N)=O)ccc2Cl)cc1OCC(F)(F)F ZINC000217863809 KK Annotated Anodyne COc1c(OCCCCN2CC[C@H](N(C)C)C2)cc2oc3cc(OCCCCN4CC[C@H](N(C)C)C4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000217915922 KK Annotated Bother CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218064012 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218064217 KK Annotated Anodyne Cn1cc2c(n1)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCc5ccccc5)CC[C@]43C)[C@@]1(C)C2 ZINC000218064387 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCCN3CCOCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218089031 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCN3CCCCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218089519 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCN3CCCCC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218111420 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218111620 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NC3CCN(Cc4ccccc4)CC3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6cn[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000218111826 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4)cc32)c1C ZINC000218128591 KK Annotated Anodyne Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4c(F)cc(-c5ccc(C(F)(F)F)cc5)cc4F)c3c2)c(F)c1 ZINC000218152174 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(C4CCN(c5ccccc5)CC4)cc32)c1C ZINC000218174639 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c1C ZINC000218175111 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3c2cccc3-c2csc(-c3ccccc3)n2)c(C)c1C(=O)N1CCN(C)CC1 ZINC000218196356 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4csc(-c5ccccc5)n4)ccc32)c1C ZINC000218196471 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4oc(-c5ccccc5)nc4C)ccc32)c1C ZINC000218196570 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000218261951 KK Annotated Anodyne CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(OC(F)(F)F)cc1F)C(=O)O ZINC000218262166 KK Annotated Anodyne CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(Br)cc1F)C(=O)O ZINC000218279651 KK Annotated Anodyne COc1c(OCCCCN2CCN(CCN(C)C)CC2)cc2oc3cc(OCCCCN4CCN(CCN(C)C)CC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000218329083 KK Annotated Bother CCN(CC)CCCCCCCCCCOc1cc2oc3cc(OCCCCCCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000218329571 KK Annotated Bother CCN(CC)CCCCCCCCCCCCOc1cc2oc3cc(OCCCCCCCCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000218329658 KK Annotated Bother COc1cc(OC(F)(F)F)ccc1Cn1c([C@H]2CCCC[C@H]2C(=O)O)nc2ccc(OCc3ccn(C)n3)cc21 ZINC000218329674 KK Annotated Anodyne Cc1csc(NC(=O)N[C@@H]2CCN(c3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)[nH]nc4n3)C2)n1 ZINC000218451282 KK Annotated Anodyne Cc1csc(NC(=O)N[C@H]2CCN(c3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)[nH]nc4n3)C2)n1 ZINC000218451364 KK Annotated Anodyne COc1ccccc1OCC(=O)N1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000218481485 KK Annotated Anodyne CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cc2)n1 ZINC000218481539 KK Annotated Anodyne COc1cc(CO)ccc1Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)Nc1ccc(C(=O)O)nc1 ZINC000218495157 KK Annotated Anodyne O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000218578867 KK Annotated Anodyne O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@@H](C1CC1)N2S(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000218578946 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)NC3CC(F)(F)C3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000218690135 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)[C@](C)(O)C(F)(F)F)c2Cl)nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)c(N3CC[C@@H](F)C3)cc21 ZINC000218690200 KK Annotated Anodyne Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(NC6CC(C)(C)NC(C)(C)C6)cc5c4)n3c2)cn1 ZINC000218831493 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCN(c7ccccc7)CC6)cc5c4)n3c2)cn1 ZINC000218832401 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CC(C)(C)NC(C)(C)C6)cc5c4)n3c2)cn1 ZINC000218862158 KK Annotated Anodyne O=C(NCc1ncc(Cl)cc1C(F)(F)F)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1 ZINC000218902473 KK Annotated Anodyne O=C(NCc1ncc(Cl)cc1C(F)(F)F)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@@H](C1CC1)N2S(=O)(=O)c1ccc(F)cc1 ZINC000218902551 KK Annotated Anodyne O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@H](C1CC1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000218927692 KK Annotated Anodyne O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1ccc2c(c1)C1(CCS(=O)(=O)CC1)[C@@H](C1CC1)N2S(=O)(=O)c1ccc(Cl)cc1 ZINC000218927756 KK Annotated Anodyne O[C@H]1[C@H](O)[C@@H](O)[C@H](n2cc(Cc3ccc(C4CC4)cc3)c3c(Cl)cccc32)O[C@@H]1CNC(=S)Nc1ccc(Cl)cc1 ZINC000219001790 KK Annotated Anodyne C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCCCC3)cn2)cs1)C(F)(F)F ZINC000219003701 KK Annotated Anodyne O=C(OCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 ZINC000219019089 KK Annotated Reactive O=C(O)c1cc(-c2ccc(C(=S)NCc3ccc(-c4ccc(C(=O)O)o4)cc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000219058648 KK Annotated Anodyne in-vitro O=C(O)c1cc(-c2ccc(CNC(=S)c3ccc(-c4ccc(C(=O)O)o4)cc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000219058818 KK Annotated Anodyne in-vitro COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si]7(CCCC7)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)ccc32)[nH]1)C(C)C ZINC000219115827 KK Annotated Anodyne O[C@@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000219210243 KK Annotated Mild O[C@@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000219210325 KK Annotated Mild COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)C)cc12 ZINC000219221856 KK Annotated Anodyne in-vitro Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000219223132 KK Annotated Anodyne in-vitro Cc1ccc2ccc([C@H](Nc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c(O)c2n1 ZINC000219237735 KK Annotated Mild Cc1ccc2ccc([C@@H](Nc3cccnc3)c3c(F)c(F)c(OCC(F)(F)F)c(F)c3F)c(O)c2n1 ZINC000219237794 KK Annotated Mild CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@H]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000219354673 KK Annotated Anodyne CN1CCC[C@@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)nc1 ZINC000219357339 KK Annotated Anodyne CN1CCC[C@H]1c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)nc1 ZINC000219357407 KK Annotated Anodyne NC(=O)Cc1ccccc1CCc1nc(Nc2ccc(C3CCNCC3)cc2OC(F)(F)F)ncc1C(F)(F)F ZINC000219357723 KK Annotated Anodyne O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1-c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000219358507 KK Annotated Anodyne CCCC(=O)c1c(O)c(Cc2c(O)c(C(=O)CC)c(O)c(C)c2OC)c(O)c(Cc2c(O)c(C(=O)CC)c(O)c(C)c2OC)c1O ZINC000219362284 KK Annotated Anodyne O=c1nc(-c2cc3nc(N4CCO[C@@H]5CCC[C@H]54)n(Cc4ccc(C(F)(F)F)cc4)c3c(-c3cncc(Cl)c3)n2)[nH]o1 ZINC000219363141 KK Annotated Anodyne O=C(O)[C@H]1CCCC[C@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000219364091 KK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC45C[C@H]6C[C@@H](CC(N)(C6)C4)C5)c3c2)cc(Cl)c1O ZINC000219364273 KK Annotated Anodyne COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(C4=CCN(C(=O)CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000219366011 KK Annotated Anodyne CN(C)Cc1ccc(Nc2c([S@](C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1 ZINC000219369025 KK Annotated Anodyne CN(C)Cc1ccc(Nc2c([S@@](C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cc1 ZINC000219369108 KK Annotated Anodyne O=c1nc(-c2cc3nc(N4CCO[C@@H]5CCC[C@H]54)n(Cc4ccc(C(F)(F)F)c(F)c4)c3c(-c3cncc(Cl)c3)n2)[nH]o1 ZINC000219371779 KK Annotated Anodyne CO[C@@H]1CCN(C2CCC(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000219379186 KK Annotated Anodyne CO[C@H]1CCN(C2CCC(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000219379276 KK Annotated Anodyne CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(F)c(O)c(Cl)c4)cc23)cc1 ZINC000219384231 KK Annotated Anodyne O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N1CCC(C2CCNCC2)CC1)C1CC1 ZINC000219389045 KK Annotated Anodyne C[C@H]1CN(c2nc(SCCc3ccc(NC(=O)OC(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219394643 KK Annotated Mild C[C@H]1CN(c2nc(SCCc3ccc(NC(=O)OC(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000219394719 KK Annotated Mild C[C@@H]1CN(c2nc(SCCc3ccc(NC(=O)OC(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000219394775 KK Annotated Mild O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000219397969 KK Annotated Anodyne CC[C@@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413325 KK Annotated Anodyne CC[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413407 KK Annotated Anodyne CC[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413483 KK Annotated Anodyne CC[C@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4nc(=O)o[nH]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413569 KK Annotated Anodyne C(=N/Cc1ccccc1)\[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CCOCc1ccccc1)OCc1ccccc1 ZINC000219430263 KK Annotated Mild CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4cnc(OC[C@@H]5CCN(C(CF)CF)C5)c(Cl)c4)c(Oc4cnc(N)c(Cl)c4)c3)CC2)=C(c2ccc(Cl)cc2)C1 ZINC000219535515 KK Annotated Anodyne C[C@H](Nc1nc(-c2cnccn2)nc(Cl)c1-c1c(F)cc(OCCCN(C)C)cc1F)C(F)(F)F ZINC000219548001 KK Annotated Anodyne COc1nc2ccc([C@](O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1 ZINC000219558085 KK Annotated Anodyne COc1nc2ccc([C@@](O)(c3sc(C)nc3C)c3cnnn3C)cc2c(Cl)c1Cc1ccc(C(F)(F)F)cc1 ZINC000219558162 KK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)ccc1-c1ccccc1[N+](=O)[O-] ZINC000219596225 KK Annotated Bother CC(=O)c1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1 ZINC000219598083 KK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(F)cc1C(F)(F)F ZINC000219598604 KK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000219598703 KK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1ccc(C(F)(F)F)cc1Cl ZINC000219598898 KK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(C(F)(F)F)ccc1Cl ZINC000219598992 KK Annotated Anodyne O=C(O)c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1-c1cc(Cl)cc(Cl)c1Cl ZINC000219600731 KK Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)c1cncs1)c1ncc(-c2ccc3cc(C(F)(F)F)ncc3c2)[nH]1 ZINC000219609411 KK Annotated Anodyne COC(=O)N[C@H](C(=O)NCCC(F)(F)C[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1 ZINC000219662636 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c(Br)c1 ZINC000219749024 KK Annotated Anodyne O=C(c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1 ZINC000219859789 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCCN(C(=O)OC(C)(C)C)CC6)cc5c4)n3c2)cn1 ZINC000219860241 KK Annotated Anodyne C[C@H]1CN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000219862611 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000219907887 KK Annotated Mild CCCCCCCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000219915490 KK Annotated Mild C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCC/C=C/C(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953614 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219953688 KK Annotated Anodyne in-vitro CC(C)=CCc1c(-c2ccc(O)c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c2O)oc2cc(O)cc(O)c2c1=O ZINC000219958638 KK Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219958990 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219959066 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219961010 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O ZINC000219961068 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963314 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963390 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219963472 KK Annotated Anodyne in-vitro C[C@@H]1O[C@@H](OCCCCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1OC(=O)c1c[nH]c2ccccc12 ZINC000219964010 KK Annotated Anodyne in-vitro CC1(C)C[C@@H](C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@@H]4OC(C)(C)O[C@H]4c4ccccc4)s3)s2)[C@H](c2ccccc2)C1 ZINC000219986554 KK Annotated Anodyne Cc1cc(OCc2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl ZINC000022026635 KK Annotated Mild CN1CCN(Cn2nc(COc3ccccc3Cl)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)CC1 ZINC000022033556 KK Annotated Mild CN1C[C@@H](c2ccccc2)N(CCCCN2C[C@@H](c3ccccc3)N(C)C[C@H]2c2ccccc2)C[C@H]1c1ccccc1 ZINC000022034992 KK Annotated Anodyne CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N\c3ccccc3)ccc2O)c([N+](=O)[O-])c1 ZINC000022343404 KK Annotated Reactive CN(C)CCN(CCN(C)C1CCCCCCCCCCC1)CCN(C)C1CCCCCCCCCCC1 ZINC000022440988 KK Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CC)c3ccc(F)cc3)c2)C[C@H]1C ZINC000022444815 KK Annotated Mild c1ccc(CNCCN(CCNC2CCCCCCCCCCC2)CCNC2CCCCCCCCCCC2)cc1 ZINC000022446971 KK Annotated Anodyne CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@H]1c1c[nH]c2cc(Br)ccc12 ZINC000022447401 KK Annotated Anodyne C1CCCCCC(NCCN(CCNC2CCCCCCCCCCC2)CCNC2CCCCCCCCCCC2)CCCCC1 ZINC000022449051 KK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 ZINC000022449798 KK Annotated Anodyne O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCNCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000022449938 KK Annotated Bother NC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022450179 KK Annotated Mild in-vivo COc1ccc2nc(C(F)(F)F)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OCC(C)C)C(=O)N2C1)O3 ZINC000220070482 KK Annotated Anodyne COC(=O)N[C@H](C(=O)NCC(F)(F)CC[C@@H](CO)N(CC1CC(F)(F)C1)S(=O)(=O)c1ccc2ncsc2c1)C(c1ccccc1)c1ccccc1 ZINC000220079579 KK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F)/C(C)=C/CC[C@@]1(C)O[C@@H]21 ZINC000220111242 KK Annotated Mild COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2ccc4onc(C)c4c2)C3=O)c(OC)n1 ZINC000220139289 KK Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2ccc4onc(C)c4c2)C3=O)c(OC)n1 ZINC000220139366 KK Annotated Anodyne CCCn1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220155577 KK Annotated Anodyne CCCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(Cc2ccc(C(C)(C)C)nc2)C3)c(F)c1 ZINC000220156827 KK Annotated Mild CC(C)(C)c1ncc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)s1 ZINC000220158718 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(CCCC(F)(F)F)C2 ZINC000220158814 KK Annotated Anodyne CC(C)(C)c1cnc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160084 KK Annotated Anodyne CC(C)(C)c1ncc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160185 KK Annotated Anodyne Cc1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)c(C)n1-c1ccncc1 ZINC000220160552 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(OC)c1 ZINC000220160767 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCC5CCCCC5)cc4F)cc3C2)cc1 ZINC000220161251 KK Annotated Anodyne C[C@@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220161340 KK Annotated Anodyne C[C@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220161401 KK Annotated Anodyne C[C@@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCCCc4ccccc4)cc3F)ccc2C1 ZINC000220161659 KK Annotated Anodyne C[C@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCCCc4ccccc4)cc3F)ccc2C1 ZINC000220161728 KK Annotated Anodyne CC(C)Cn1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220164097 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCOCC5)cc4F)ccc3C2)cc1 ZINC000220166514 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCC[C@@H]5CCOC5)cc4F)ccc3C2)cc1 ZINC000220167430 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCC[C@H]5CCOC5)cc4F)ccc3C2)cc1 ZINC000220167496 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220169478 KK Annotated Anodyne C[C@@H](c1ccnc(C(C)(C)C)c1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220170328 KK Annotated Anodyne C[C@H](c1ccnc(C(C)(C)C)c1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220170399 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(CCc1ccc(C(F)(F)F)cn1)C2 ZINC000220170784 KK Annotated Anodyne C[C@@H](c1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1 ZINC000220170871 KK Annotated Anodyne C[C@H](c1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1 ZINC000220170939 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCC(F)(F)F)cc4F)cc3C2)cc1 ZINC000220172365 KK Annotated Anodyne CC(C)(C)c1ccc(CC(C)(C)N2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCOCC5)cc4F)ccc3C2)cc1 ZINC000220172740 KK Annotated Anodyne CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 ZINC000220177535 KK Annotated Anodyne CC(C)(C)c1ncc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)s1 ZINC000220178747 KK Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cc(C)c4onc(C)c4c2)C3=O)c(OC)n1 ZINC000220178979 KK Annotated Anodyne CC(C)(C)c1cc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)ccn1 ZINC000220179063 KK Annotated Anodyne CC(C)(C)c1ccc(CC(C)(C)N2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cc1 ZINC000220181247 KK Annotated Anodyne CC(C)S(=O)(=O)N1CCC[C@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220185063 KK Annotated Anodyne CC(C)S(=O)(=O)N1CCC[C@@H](c2cc3c(-c4cccc(NCc5ccccc5)n4)c(Cl)cnc3[nH]2)C1 ZINC000220185133 KK Annotated Anodyne CC(C)(C)[C@H](NC(=O)/C=C/c1ccc(OP(=O)(O)O)cc1)C(=O)N1CCC[C@H]1C(=O)N(c1ccccc1)c1ccc(I)cc1 ZINC000220195216 KK Annotated Anodyne C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(c1ccccc1)c1ccc(I)cc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 ZINC000220195309 KK Annotated Anodyne C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(c1ccccc1)c1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 ZINC000220195395 KK Annotated Anodyne COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000220236608 KK Annotated Anodyne Cc1nn(C2CC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(N(C)C(=O)OC(C)(C)C)c3nnc(C)n3n1)C2=O ZINC000220243064 KK Annotated Anodyne Cc1nn(C2CC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(N(C)C(=O)OC(C)(C)C)c3nnc(C)n3n1)C2=O ZINC000220243135 KK Annotated Anodyne CC1(C)CN(c2ccccc2NC(=O)Nc2nc3ccc(Cl)nc3s2)c2c(O)ccc(-c3ccc(F)cc3)c21 ZINC000220382246 KK Annotated Anodyne C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1/C=C/CCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 ZINC000220394501 KK Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2csc(-c3ccncc3)n2)c1 ZINC000220407737 KK Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc(-c3ccncc3)cc2)c1 ZINC000220408566 KK Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2ccc3cc(O)ccc3c2)c1 ZINC000220408960 KK Annotated Anodyne Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)C[C@@H](N2CCOCC2)CC3)c1 ZINC000220409407 KK Annotated Anodyne O=C(Nc1nc2c(s1)C[C@@H](N1CCOCC1)CC2)c1cccc([C@H]2CCCN2C(=O)c2csc(-c3cccnc3)n2)c1 ZINC000220410503 KK Annotated Anodyne C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1CCCCc1ccccc1)C(C)(C)C)c1ccc(OP(=O)(O)O)cc1 ZINC000220413657 KK Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc(-c5cnco5)cc4)c3)sc2C1 ZINC000220413845 KK Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4ccc5cc(O)ccc5c4)c3)sc2C1 ZINC000220414031 KK Annotated Anodyne CCCN[C@H]1CCc2nc(NC(=O)c3cccc([C@@H](C)NC(=O)c4ccc(OC)c(C)c4)c3)sc2C1 ZINC000220424197 KK Annotated Anodyne COc1ccc(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[C@@H](N3CCOCC3)CC4)c2)cc1Cl ZINC000220424708 KK Annotated Anodyne Cc1nc(-c2ccncc2)sc1C(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 ZINC000220424894 KK Annotated Anodyne CN(C)[C@H]1CCc2nc(NC(=O)c3cccc([C@H]4CCCN4C(=O)c4csc(-c5ccncc5)n4)c3)sc2C1 ZINC000220435267 KK Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(C)c4onc(C)c4c2)C3=O)c(OC)n1 ZINC000220443506 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000220463840 KK Annotated Anodyne COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(F)(F)c3ccccn3)n(CC3CCOCC3)c12 ZINC000220524014 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1 ZINC000220542550 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc(-n2nc(-c3ccc(C(=O)O)cc3)cc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000220547628 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(Cl)cc2)[C@H](COc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)C1 ZINC000220552108 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5ccc6nc([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)n(C)c6c5)cc4s3)cc2[nH]1)C(C)C ZINC000220569250 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](F)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](F)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000220572427 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000220582209 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2OC(F)(F)F)CC1 ZINC000220582297 KK Annotated Anodyne O=S(=O)(Nc1ncc(Cl)s1)c1cc(F)c(OC[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220595091 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3ccoc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000220623897 KK Annotated Anodyne Cc1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12 ZINC000220624192 KK Annotated Anodyne Cc1ccc(C2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(Cl)c1 ZINC000220643559 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C4(C(=O)O)CC4)cc3)c2)CC1 ZINC000220667255 KK Annotated Anodyne Cc1nc(C(F)(F)F)c(Cl)n1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-n1nncc1-c1ccc(OC(F)(F)F)cc1 ZINC000220676591 KK Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cccc3nccn23)cc1F ZINC000220682470 KK Annotated Anodyne Cn1c(-c2cccc(NC(=O)C(=O)Nc3ccc(-c4ccsc4)cc3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000220764198 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(OC[C@@H]2CN(CC(F)(F)F)CC[C@H]2c2ccc(Cl)cc2)cc1F ZINC000220810532 KK Annotated Anodyne Cn1c(-c2cccc(NC(=O)C(=O)Nc3ccc(-c4ccc(C#N)cc4)cc3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000220895742 KK Annotated Mild Cn1c(-c2cccc(NC(=O)C(=O)Nc3ccc(-c4cccc(C#N)c4)cc3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000220895820 KK Annotated Mild Cn1c(-c2cccc(NC(=O)C(=O)Nc3cccc(-c4ccc(C#N)cc4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000220907327 KK Annotated Mild Cn1c(-c2cccc(NC(=O)C(=O)Nc3cccc(-c4ccsc4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000220907418 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000220910845 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](F)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000220910902 KK Annotated Mild CC[C@@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1 ZINC000220931040 KK Annotated Anodyne CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1 ZINC000220931095 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1OCC=C[C@@H]1O[P@@](=O)(O)OC[C@H](N)C(=O)O ZINC000220956537 KK Annotated Anodyne CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCCC[C@H]1O[P@@](=O)(O)OC[C@H](N)C(=O)O ZINC000220956671 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1OCCC[C@@H]1O[P@@](=O)(O)OC[C@H](N)C(=O)O ZINC000220959217 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1OCCC[C@H]1O[P@@](=O)(O)OC[C@H](N)C(=O)O ZINC000220960612 KK Annotated Anodyne CCCCCCCCCCCOc1ccccc1CCC(=O)O[C@H]1CCCO[C@@H]1CO[P@@](=O)(O)OC[C@H](N)C(=O)O ZINC000220960709 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1OCCN(C)C)C2=O ZINC000221005661 KK Annotated Anodyne Cn1c(-c2cccc(NC(=O)C(=O)Nc3nc4ccc(Br)cc4s3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000221042475 KK Annotated Anodyne Cn1c(-c2cccc(NC(=O)C(=O)Nc3cccc(OCc4ccccc4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21 ZINC000221042638 KK Annotated Anodyne COc1c(O)c(-c2c(O)c(OC)c(OC)c3c2ccc2cc(O)ccc23)c2ccc3cc(O)ccc3c2c1OC ZINC000221099652 KK Annotated Bother CCCCCCCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000221105892 KK Annotated Mild N#C[C@H]1C[C@H](N(CC2CC2)CC2CC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221117835 KK Annotated Mild COc1ccc([C@H]2N(c3ccnc(N[C@@H](C)c4ccc(Oc5ccccc5)cc4)n3)C(=O)OC2(C)C)cc1 ZINC000221129218 KK Annotated Anodyne COc1ccc([C@@H]2N(c3ccnc(N[C@@H](C)c4ccc(Oc5ccccc5)cc4)n3)C(=O)OC2(C)C)cc1 ZINC000221129274 KK Annotated Anodyne Cc1nc(C(F)(F)F)cn1-c1ccc(-c2cc(F)c(CO)c(S(C)(=O)=O)c2)cc1-c1nc(C(C)C)oc1-c1ccc(OC(F)(F)F)cc1 ZINC000221270319 KK Annotated Mild O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(Cl)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221272065 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2ccccc2-c2ccccc2Cl)CC1 ZINC000221276151 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(OC(F)(F)F)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221276328 KK Annotated Anodyne CCOC(=O)C1(Cc2ccccc2)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 ZINC000221280191 KK Annotated Anodyne O=C(c1ccc(N[S@@](=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221280856 KK Annotated Anodyne O=C(c1ccc(N[S@](=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221280911 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1Cl)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221282414 KK Annotated Anodyne Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2s1 ZINC000221283361 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2c(F)ccc3ncsc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221285273 KK Annotated Anodyne Cc1cc(C(=O)N2CCC(O)(c3cccc(Cl)c3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12 ZINC000221287259 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221466812 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@]2(C1)[C@H](c1ccccc1OC)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221467188 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@H](c1ccccc1Cl)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221467475 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@H](c1ccccc1F)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221467711 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221468139 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221468560 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(F)cc1)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221468765 KK Annotated Mild C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221469001 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@@H]2C[C@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)C[C@]2(C1=O)[C@H](c1ccccc1OC)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000221469689 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[Si](C)(C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000221491910 KK Annotated Anodyne COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000221495936 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc54)c3)cc2)[nH]1 ZINC000221499985 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc54)c3)cc2)[nH]1 ZINC000221500039 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5[nH]c([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C6CCCC6)nc54)c3)cc2)[nH]1)C(C)C ZINC000221501019 KK Annotated Anodyne CC[C@@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000221556764 KK Annotated Anodyne in-vitro CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO ZINC000221556814 KK Annotated Anodyne in-vitro Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000221567973 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000221568023 KK Annotated Anodyne Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1 ZINC000221570337 KK Annotated Clean Cc1ccc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1 ZINC000221570398 KK Annotated Clean Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)n1 ZINC000221570627 KK Annotated Clean Cn1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4F)c3c2)n1 ZINC000221570687 KK Annotated Clean CC(C)[Si](OC[C@@H]1C[C@H](C[C@@H]2C[C@H](C[C@H]3C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C ZINC000221571223 KK Annotated Reactive COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2ncccc2c1 ZINC000221588892 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2ncccc2c1 ZINC000221588944 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2ncccc2c1 ZINC000221588997 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000221589056 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000221589104 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2nc(C(C)(C)C)ccc2c1 ZINC000221589159 KK Annotated Anodyne CNC(=O)[C@@H](NC(=O)[C@@](CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)(Cc1ccccc1)[Si](C)(C)C(C)(C)C)C(C)(C)C ZINC000221604399 KK Annotated Reactive CCOC(=O)[C@@H]1ON(c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000221606396 KK Annotated Anodyne O=C(OCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 ZINC000221629116 KK Annotated Reactive CCOC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)/C(=C(/CC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)N[C@H](C)CCCN(CC)CC)C2=O ZINC000221637009 KK Annotated Mild CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)nn2-c2ccc(C(=O)N3CCOCC3)cc2)cc(C(C)(C)C)c1 ZINC000221660804 KK Annotated Anodyne CN(C)C(=O)c1ccc(-n2nc(-c3ccc(C(=O)O)cc3)cc2-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 ZINC000221664580 KK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1c(I)cc(I)cc1-2 ZINC000221681976 KK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1c(I)cc(I)cc1-2 ZINC000221682031 KK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1-2 ZINC000221683484 KK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(Cl)cc1)Oc1c(Br)cc(Br)cc1-2 ZINC000221683533 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000221721193 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Br)cc4)C3)c2I)cc1 ZINC000221721303 KK Annotated Anodyne O=c1c(OCc2nnn([C@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000221721399 KK Annotated Anodyne O=c1c(OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Br)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000221721509 KK Annotated Anodyne COc1cc([C@@H]2C[C@H](n3nnc(COc4c(-c5ccc(C)cc5)oc5ccccc5c4=O)c3I)C[C@H](c3ccccc3)O2)cc(OC)c1OC ZINC000221721665 KK Annotated Anodyne COc1cc([C@@H]2C[C@@H](n3nnc(COc4c(-c5ccc(C)cc5)oc5ccccc5c4=O)c3I)C[C@H](c3ccccc3)O2)cc(OC)c1OC ZINC000221721721 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccccc4)C3)c2I)cc1 ZINC000221721794 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccccc4)O[C@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000221721910 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccccc4)C3)c2I)cc1 ZINC000221722025 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccccc4)O[C@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000221722135 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(F)cc4)C3)c2I)cc1 ZINC000221722240 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccc(F)cc4)O[C@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000221722358 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@H]3C[C@@H](c4ccc(OC)cc4)O[C@@H](c4ccccc4)C3)nn2)cc1 ZINC000221722464 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@@H](c4ccccc4)O[C@H](c4ccc(OC)cc4)C3)nn2)cc1 ZINC000221722568 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@@H](c4ccc(Br)cc4)O[C@H](c4ccc(OC)cc4)C3)nn2)cc1 ZINC000221722740 KK Annotated Anodyne COc1ccc([C@@H]2C[C@H](n3cc(COc4c(-c5ccc(Cl)cc5)oc5ccccc5c4=O)nn3)C[C@H](c3ccccc3)O2)cc1 ZINC000221722810 KK Annotated Anodyne COc1ccc([C@@H]2C[C@@H](n3cc(COc4c(-c5ccc(Cl)cc5)oc5ccccc5c4=O)nn3)C[C@H](c3ccccc3)O2)cc1 ZINC000221722915 KK Annotated Anodyne O=c1c(OCc2cn([C@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccccc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000221723033 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@@H](c4ccccc4)O[C@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000221723139 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@H](c4ccc(Br)cc4)C3)nn2)c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000221723292 KK Annotated Anodyne C=CC[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@@H]2C/C(=N/NS(=O)(=O)c3ccc(C)cc3)[C@@H](C)[C@@H]21 ZINC000221738743 KK Annotated Reactive O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(Cl)c(Cl)c1)C2 ZINC000221738761 KK Annotated Anodyne C[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@]2(C)CC3(C[C@]12C)OCC(C)(C)CO3 ZINC000221739100 KK Annotated Reactive C[C@@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@]2(C)CC3(C[C@]12C)OCC(C)(C)CO3 ZINC000221739423 KK Annotated Reactive O=C(c1ccccn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1)C2 ZINC000221741884 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OC[C@H](OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)[C@H]2OC(=O)C(O)=C2O)cc1 ZINC000221742560 KK Annotated Anodyne C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)[C@H]1OC(=O)C(O)=C1O ZINC000221742712 KK Annotated Reactive COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C/C[C@H](NC(=O)/C=C/c1c(C(F)(F)F)ccc(Cl)c1F)c1nc-2c(Cl)[nH]1 ZINC000221756773 KK Annotated Anodyne CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4)cn(C)c3=O)nc2)CC1 ZINC000221764147 KK Annotated Anodyne CCN(CC)CCNC(=O)CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000221765277 KK Annotated Anodyne CCN(CC)CCNC(=O)CCc1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccncc5)n4)cc32)c1C ZINC000221766137 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ncc(-c5ccccc5)o4)cc32)c1C ZINC000221766733 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc(-c5ccccc5)s4)ccc32)c1C ZINC000221767608 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCOCC1 ZINC000221767689 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4nnc(-c5ccccc5)s4)cc32)c1C ZINC000221767950 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ncc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000221768801 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c(C)c1C(=O)NCCN1CCCC1 ZINC000221768879 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)nc32)c1C ZINC000221768960 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4ccc(-c5ccccc5)s4)ccc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221769263 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cnc(-c4csc(-c5ccccc5)n4)cc32)c1C ZINC000221769416 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccs5)s4)cc32)c1C ZINC000221769904 KK Annotated Anodyne Cc1ccc(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)NCCN5CCCC5)c3C)C(=O)N4)cs2)cc1 ZINC000221769989 KK Annotated Anodyne Cc1nc(-c2ccccc2)oc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)N2CCN(C)CC2)c1C ZINC000221770611 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4csc(-c5ccccc5)n4)ccc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221770829 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)[nH]4)cc32)c1C ZINC000221771621 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccn5)n4)cc32)c1C ZINC000221771858 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5ccccc5)s4)cc32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221772005 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccnn4-c4ccccc4)cc32)c1C ZINC000221772090 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3cccc(-c4ccc(-c5ccccc5)cc4)c32)c1C ZINC000221772173 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3cc(-c4csc(-c5ccccc5)n4)ccc32)c(C)c1C(=O)N1CCOCC1 ZINC000221773480 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(Br)cc5)n4)cc32)c1C ZINC000221773819 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccc(Br)c5)n4)cc32)c1C ZINC000221773908 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)o4)cc32)c1C ZINC000221774300 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3cccc(-c4ccc(-c5ccccc5)cc4)c32)c(C)c1C(=O)N1CCN(C)CC1 ZINC000221774857 KK Annotated Anodyne Cc1ccc(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCOCC5)c3C)C(=O)N4)cs2)cc1 ZINC000221775250 KK Annotated Anodyne Cc1ccc(-c2nc(-c3ccc4c(c3)/C(=C/c3[nH]c(C)c(C(=O)N5CCN(C)CC5)c3C)C(=O)N4)cs2)cc1 ZINC000221775332 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4oc(-c5ccccc5)nc4C)cc32)c1C ZINC000221776222 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnc(-c5ccccc5)s4)cc32)c1C ZINC000221776660 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4ccc(-c5cccnc5)s4)cc32)c1C ZINC000221776731 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000221782750 KK Annotated Anodyne CCOc1cc2[nH]c(C#N)cc2cc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000221786118 KK Annotated Anodyne N#Cc1cc2c(Cl)c(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2[nH]1 ZINC000221788622 KK Annotated Anodyne N#Cc1cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc2n1Cc1cn[nH]c1 ZINC000221794957 KK Annotated Anodyne N#C[C@H]1C[C@H](N(CC2CC2)C2CCC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221833109 KK Annotated Mild CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c1C ZINC000221842643 KK Annotated Anodyne Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccc5)c4C)cc32)c(C)c1C(=O)NCCN1CCCC1 ZINC000221843020 KK Annotated Anodyne CC(C)CN(CC1CC1)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@H](C#N)C1 ZINC000221862446 KK Annotated Mild N#C[C@@H]1C[C@@H](N(CC2CC2)C2CCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221862708 KK Annotated Mild N#C[C@@H]1C[C@@H](NC2CC3(CCCC3)C2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221889305 KK Annotated Mild N#C[C@H]1C[C@H](NCc2c(F)cccc2F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 ZINC000221889724 KK Annotated Mild COC(=O)N1CCC[C@@H]1Cn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000221931062 KK Annotated Anodyne COC(=O)N1CCC[C@@H]1Cn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000221931125 KK Annotated Anodyne CN(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(N)=O)ccc2Cl)cc1OCC1CCC1 ZINC000221933381 KK Annotated Anodyne CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1N1CCCCC1 ZINC000221939246 KK Annotated Anodyne C[C@@H]1CC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(c2)CN(C)C(=O)[C@H](Nc2ccc3c(N)ncc(F)c3c2)c2ccc(OCC(F)F)c1c2 ZINC000221943577 KK Annotated Anodyne in-vitro Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C[C@H]3CCCN3C(=O)N(C)C)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000221956630 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C[C@H]3CCCN3C(=O)N(C)C)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000221956689 KK Annotated Anodyne CC(=O)N1CCC[C@@H]1Cn1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000221956745 KK Annotated Anodyne CC(=O)N1CCC[C@@H]1Cn1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000221956798 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5cccc(CCC(=O)O)c5)n4)cc32)c1C ZINC000221965338 KK Annotated Anodyne CCN(CC)CCN1CCCc2[nH]c(/C=C3\C(=O)Nc4ccc(-c5csc(C6CCNCC6)n5)cc43)c(C)c2C1=O ZINC000221965901 KK Annotated Anodyne CCN(CC)CCNC(=O)c1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccccc5)n4)cc32)[nH]1 ZINC000221967414 KK Annotated Anodyne CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(-c4csc(-c5ccc(CCC(=O)O)cc5)n4)cc32)c1C ZINC000221972405 KK Annotated Anodyne CC[C@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@H]1CC(=O)O ZINC000221978225 KK Annotated Anodyne CC[C@@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@H]1CC(=O)O ZINC000221978284 KK Annotated Anodyne CC[C@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@@H]1CC(=O)O ZINC000221978335 KK Annotated Anodyne CC[C@@H]1C(C(F)(F)F)=NN(c2ccc(Cc3ccc(-c4cc(OC)ccc4F)cc3C)cc2)[C@@H]1CC(=O)O ZINC000221978397 KK Annotated Anodyne COc1ccc2c(O[C@H]3C[C@H]4C(=O)N(C)CCCC/C=C/[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N4C3)cc(-c3nc(C(F)(F)F)cs3)nc2c1C ZINC000222045863 KK Annotated Anodyne CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(C(F)(F)F)c3)c2C#N)cc1 ZINC000222113408 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc([N+](=O)[O-])c3)c2C#N)cc1 ZINC000222113483 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccccc3F)c2C#N)cc1 ZINC000222113571 KK Annotated Mild COc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000222113649 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000222118099 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccccc3)c2C#N)cc1 ZINC000222118191 KK Annotated Mild COc1ccccc1Nc1nc(SCc2cn(CC(=O)NC(=O)Nc3ccccn3)nn2)nc(-c2ccc(C(C)C)cc2)c1C#N ZINC000222118281 KK Annotated Mild Cc1cccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(C(C)C)cc3)c2C#N)c1 ZINC000222118360 KK Annotated Mild CC(C)c1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000222123715 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccccc3O)c2C#N)cc1 ZINC000222123795 KK Annotated Mild COc1cc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccc(C(C)C)cc3)c2C#N)cc(OC)c1OC ZINC000222123958 KK Annotated Mild COc1cc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(C(F)(F)F)c3)c2C#N)cc(OC)c1OC ZINC000222130189 KK Annotated Mild COc1cc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccc(Cl)cc3)c2C#N)cc(OC)c1OC ZINC000222130269 KK Annotated Mild COc1cc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(Cl)c3)c2C#N)cc(OC)c1OC ZINC000222130360 KK Annotated Mild Cc1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccc(C(C)C)cc3)c2C#N)cc1 ZINC000222130414 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(C)cc3)c2C#N)cc1 ZINC000222136970 KK Annotated Mild Cc1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(Cl)c3)c2C#N)cc1 ZINC000222137047 KK Annotated Mild Cc1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(C(F)(F)F)c3)c2C#N)cc1 ZINC000222143360 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(Br)cc3)c2C#N)cc1 ZINC000222143441 KK Annotated Mild N#Cc1c(Nc2cccc(C(F)(F)F)c2)nc(SCc2cn(CC(=O)NC(=O)Nc3ccccn3)nn2)nc1-c1ccc(Br)cc1 ZINC000222143523 KK Annotated Mild CC(C)c1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(Br)cc3)c2C#N)cc1 ZINC000222143601 KK Annotated Mild Cc1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000222149557 KK Annotated Mild CC(C)c1ccc(Nc2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000222149645 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccccc3Cl)c2C#N)cc1 ZINC000222199244 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccc(F)cc3)c2C#N)cc1 ZINC000222199322 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3ccc(Cl)cc3)c2C#N)cc1 ZINC000222199376 KK Annotated Mild CC(C)c1ccc(-c2nc(SCc3cn(CC(=O)NC(=O)Nc4ccccn4)nn3)nc(Nc3cccc(Cl)c3)c2C#N)cc1 ZINC000222199461 KK Annotated Mild Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCOc3ccccc3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222217249 KK Annotated Anodyne N/C(=N\c1cccc(COC[C@H]2C[C@H](OCc3cccc(/N=C(\N)c4cccs4)c3)CN2)c1)c1cccs1 ZINC000222225291 KK Annotated Mild N/C(=N\c1cccc(COC[C@@H]2C[C@@H](OCc3cccc(/N=C(\N)c4cccs4)c3)CN2)c1)c1cccs1 ZINC000222227124 KK Annotated Mild O=C1NCCc2ccc(O)c(c2)Oc2ccc(cc2Br)CCNC(=O)/C(=N/O)Cc2ccc(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N/O ZINC000222232041 KK Annotated Mild O=C1NCCc2ccc(c(Br)c2)Oc2cc(ccc2O)CCNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N/O ZINC000222232106 KK Annotated Mild CC1(C)O[C@@H](c2ccccc2)[C@H](C(=O)Nc2nnc(CCCCc3nnc(NC(=O)[C@@H]4OC(C)(C)O[C@H]4c4ccccc4)s3)s2)O1 ZINC000222287657 KK Annotated Anodyne CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2cccc(Cl)c2Cl)ccc1O ZINC000222311822 KK Annotated Clean CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1csc(C(F)(F)F)c1)C(=O)N1CCN(c2ccccc2OCCCCC(=O)O)CC1 ZINC000222363458 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)CC3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222373167 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCCNC3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222381463 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)Cc3cn(C)c4ccccc34)[nH]c3ccccc23)cc(C)c1Cl ZINC000222382581 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccc(C(F)(F)F)c3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222397211 KK Annotated Anodyne Cc1ccncc1-c1cccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000222415809 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)C)cc21 ZINC000222442793 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C3CCCCC3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222480309 KK Annotated Anodyne O=C(NS(=O)(=O)CCNC(=O)C1CCCCC1)c1[nH]c2cc(Cl)ccc2c1CCCOc1cccc2ccccc12 ZINC000222480405 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cccn3-c3ccccc3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222485703 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)C3CCCCC3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222487549 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=CC2=C4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)[C@]1(C)C=O ZINC000222491087 KK Annotated Mild CCNC(=O)N(CCCN(C)C)C(=O)[C@]12CCC(C)(C)CC1=C1C=C[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000222492116 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)[C@@H]3Cc4ccccc4N3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222494064 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)[C@H]3Cc4ccccc4N3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222494127 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc4cc[nH]c4c3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222494290 KK Annotated Anodyne CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000222512003 KK Annotated Anodyne CCN1C[C@@H]2CC[C@H](C1)N2C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C3CCCCC3)c3ccc(C(=O)NS(=O)(=O)N(C)C)cc3n1C2 ZINC000222512075 KK Annotated Anodyne COc1ccc2nc(C(F)(F)F)c3c(c2c1)CC[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1)O3 ZINC000222540950 KK Annotated Anodyne CC1(S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@H](NC(=O)OC2CCCC2)C(=O)N2C[C@@]4(CCc5c(c(C(F)(F)F)nc6ccccc56)O4)C[C@H]2C(=O)N3)CC1 ZINC000222545196 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](F)C[C@H]1c1nc2c(ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)ccc32)[nH]1)C(C)C ZINC000222567350 KK Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccccc2F)CO1)C(c1ccccc1)c1ccccc1 ZINC000222633167 KK Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@@H]2CCc3ccccc32)CO1)C(c1ccccc1)c1ccccc1 ZINC000222635901 KK Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)N[C@H]2CCc3ccccc32)CO1)C(c1ccccc1)c1ccccc1 ZINC000222635967 KK Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccc(F)cc2)CO1)C(c1ccccc1)c1ccccc1 ZINC000222636059 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4cccnc4)cccc23)cc(C)c1Cl ZINC000222677627 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3c(-c4c(C)n[nH]c4C)cccc23)cc(C)c1Cl ZINC000222681760 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cc4ccccc4o3)[nH]c3ccccc23)cc(C)c1Cl ZINC000222692094 KK Annotated Anodyne N#CCCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000222693563 KK Annotated Mild Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccccc3C(F)(F)F)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222696035 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccc(C(F)(F)F)cc3)[nH]c3cc(Cl)ccc23)cc(C)c1Cl ZINC000222701594 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3cn(C)c4ccccc34)[nH]c3ccccc23)cc(C)c1Cl ZINC000222701678 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)CCNC(=O)c3ccccc3F)[nH]c3ccccc23)cc(C)c1Cl ZINC000222705510 KK Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCC(Oc5ccc(OC(F)(F)F)cc5)CC4)cc3)C2)o1 ZINC000222733193 KK Annotated Anodyne O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCC(Oc5ccc(OC(F)(F)F)cc5)CC4)cc3)C2)o1 ZINC000222733260 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)c1O ZINC000222737570 KK Annotated Anodyne in-man CN(C)CCCOc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000222757611 KK Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCNc3ccccc3)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000222781249 KK Annotated Anodyne CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222890753 KK Annotated Anodyne CNC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222890810 KK Annotated Anodyne CC(=O)c1cc2cc(NCc3cc(NC(=O)c4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222892246 KK Annotated Anodyne CC(=O)c1cc2cc(NCc3cc(NC(=O)c4ccc(CN5CC[C@@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222894480 KK Annotated Anodyne Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(CNc4cnc5[nH]c(C(=O)O)cc5c4)c3)cc(C(F)(F)F)c2)cn1 ZINC000222894999 KK Annotated Anodyne CC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CC[C@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222914864 KK Annotated Anodyne CC(=O)c1cc2cc(CCc3cc(NC(=O)c4ccc(CN5CC[C@@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000222914916 KK Annotated Anodyne CO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2cc(C(C)C)nn2C)CC3)[C@H](C)C1 ZINC000222951948 KK Annotated Anodyne CCO[C@@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(F)c(C4CC4)nn2C)CC3)CC1(C)C ZINC000222952312 KK Annotated Anodyne C=CC(=O)Nc1cccc(-n2c(=O)c(-c3ccccc3)c(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1 ZINC000222981574 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccccc3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000222984165 KK Annotated Anodyne CC(C)(C)c1ccc(CC(Cc2ccc(C(C)(C)C)cc2)(C2=N[C@H](c3ccccc3)CO2)C2=N[C@H](c3ccccc3)CO2)cc1 ZINC000222984659 KK Annotated Anodyne CC(C)(C)c1ccc(CC(Cc2ccc(C(C)(C)C)cc2)(C2=N[C@@H](c3ccccc3)CO2)C2=N[C@H](c3ccccc3)CO2)cc1 ZINC000222984715 KK Annotated Anodyne O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc(C(F)(F)F)c3)c2c1)c1c(F)cccc1C(F)(F)F ZINC000222985932 KK Annotated Mild COc1cc(OCc2csc(-c3ccc(Cl)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223000169 KK Annotated Anodyne COc1cc(OCc2csc([C@]3(c4cccc(Cl)c4)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223000271 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(c4cccc(Cl)c4)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223000336 KK Annotated Anodyne COc1cc(OCc2csc(C(C)(C)c3ccc(Cl)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223002957 KK Annotated Anodyne CCc1sc(-c2ccc(C(=O)N(C)C)cc2)nc1COc1cc(OC)cc2oc(-c3cn4nc(OC)sc4n3)cc12 ZINC000223004418 KK Annotated Anodyne COc1cc(OCc2csc(C3(c4ccc(C)cc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223006856 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223008618 KK Annotated Anodyne COc1cc(OCc2csc(C3(c4ccc(C(=O)N(C)C)cc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223008929 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6cccc(C)c6)n5)cc(Cl)cc4o3)nc2s1 ZINC000223009286 KK Annotated Anodyne COc1cc(OCc2csc(C3(N[S@](=O)C(C)(C)C)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223011499 KK Annotated Anodyne COC(=O)c1ccc(C2(c3nc(COc4cc(OC)cc5oc(-c6cn7nc(OC)sc7n6)cc45)cs3)CCOCC2)cc1 ZINC000223012774 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(c4ccc(C)cc4)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223012856 KK Annotated Anodyne COc1cc(OCc2csc([C@]3(c4ccc(C)cc4)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223012929 KK Annotated Anodyne COc1cc(OCc2csc(C3=CCOc4ccccc43)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223014095 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C(C)C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223016088 KK Annotated Anodyne COc1cc(OCc2csc(C3(C)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223016829 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000223017776 KK Annotated Anodyne C=C(c1cncnc1)c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000223023507 KK Annotated Anodyne COc1cc(OCc2csc([C@@H]3CCOc4ccccc43)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223023595 KK Annotated Anodyne COc1cc(OCc2csc([C@H]3CCOc4ccccc43)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223023661 KK Annotated Anodyne COc1cc(OCc2csc(C(C)(C)c3ccccc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223023980 KK Annotated Anodyne COc1cc(OCc2csc(C3(c4cccnc4)CCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223024981 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N(C)C)cc6)n5)cc(F)cc4o3)nc2s1 ZINC000223026794 KK Annotated Anodyne COc1cc(OCc2csc(C3(c4ccccc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223027054 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5csc(-c6ccc(C(=O)N(C)C(C)(C)C)cc6)n5)cc(F)cc4o3)nc2s1 ZINC000223028291 KK Annotated Anodyne COc1cc(OCc2csc([C@]3(c4ccc(Cl)cc4)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223029255 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(c4ccc(Cl)cc4)CCOC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000223029319 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccccc3)n2)c2nc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000223029957 KK Annotated Anodyne COc1ccc(C2(c3nc(COc4cc(OC)cc5oc(-c6cn7nc(OC)sc7n6)cc45)cs3)CCOCC2)cc1 ZINC000223036259 KK Annotated Anodyne CNc1nc2ccc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2s1 ZINC000223063093 KK Annotated Anodyne in-vitro N/C(=N\c1cccc(COC[C@H]2C[C@@H](OCc3cccc(/N=C(\N)c4cccs4)c3)CN2)c1)c1cccs1 ZINC000223071339 KK Annotated Mild N/C(=N\c1cccc(OC[C@@H]2C[C@@H](Oc3cccc(/N=C(\N)c4cccs4)c3)CN2)c1)c1cccs1 ZINC000223072933 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)NC(=O)[C@@H](O)CCCCCCCCCCCCCCCCCCCCCCCC ZINC000223074015 KK Annotated Mild in-vitro CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC ZINC000223074079 KK Annotated Mild in-vitro C/C1=C\[C@@H](C)[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000223075764 KK Annotated Anodyne in-vitro COc1c(O)c(O)c(C)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1O ZINC000223076814 KK Annotated Clean in-vitro COC(=O)N[C@H](C(=O)N1C[C@H](F)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@@H](F)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000223244491 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CC(C)(C)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6CC(C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000223249146 KK Annotated Anodyne CC[C@H]1C[C@@H](c2nc3ccc(-c4ccc(-c5ccc6nc([C@@H]7C[C@H](CC)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c6c5)cc4)cc3[nH]2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1 ZINC000223249231 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C(F)(F)F)C[C@H]1c1nc2ccc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](C(F)(F)F)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)cc2[nH]1)C(C)C ZINC000223249406 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(C#CC#Cc3ccc4nc([C@@H]5C[C@H](C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c4c3)cc2[nH]1)C(C)C ZINC000223252689 KK Annotated Mild O=C1CS/C(=N/N=C\c2cn(-c3ccccc3)nc2-c2ccc(Br)s2)N1c1ccc(Cl)cc1 ZINC000223373014 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCCCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223376285 KK Annotated Anodyne CCCCCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223378613 KK Annotated Anodyne CCCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223384259 KK Annotated Anodyne CCCCCCCCCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(CCc2ccc(O)cc2)c1 ZINC000223385230 KK Annotated Anodyne CN(C)c1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)cc1CCc1ccc(O)cc1 ZINC000223388883 KK Annotated Anodyne CC(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)OC(C)(C)C)cc1CCc1ccc(O)cc1 ZINC000223389302 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCCCc2ccc(O)cc2)c1 ZINC000223389798 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCCc2ccc(O)cc2)c1 ZINC000223391948 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3nc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4cc3c2)[nH]1)C(C)C ZINC000223585552 KK Annotated Anodyne CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1O ZINC000223603893 KK Annotated Clean COc1ccc(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1Cl ZINC000223638665 KK Annotated Bother COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2sc(C#CC#Cc3cc4[nH]c([C@@H]5C[C@H](C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)nc4s3)cc2[nH]1)C(C)C ZINC000223641941 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2ccc(-c3cc4sc(-c5cc6[nH]c([C@@H]7C[C@H](C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)nc6s5)cc4s3)cc2[nH]1)C(C)C ZINC000223642705 KK Annotated Anodyne Brc1cccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)c1 ZINC000223659545 KK Annotated Anodyne Brc1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cn1 ZINC000223659809 KK Annotated Anodyne N[C@@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12)Cc1ccccc1 ZINC000223660355 KK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)nc1 ZINC000223661480 KK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1ccc(F)cc1 ZINC000223662652 KK Annotated Anodyne COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2c(Br)c(C(C)(C)C)sc12 ZINC000223664944 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NC[C@@H](N)Cc4ccccc4)c23)C1 ZINC000223666561 KK Annotated Anodyne FC(F)(F)c1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1 ZINC000223667703 KK Annotated Anodyne Brc1cnccc1CN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 ZINC000223668163 KK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc(Br)cc3)csc12)Cc1ccccc1 ZINC000223668386 KK Annotated Anodyne CNc1ccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)cc1 ZINC000223677177 KK Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cc(F)ccc1OC(C)C ZINC000223677343 KK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cccc(N)c1 ZINC000223677424 KK Annotated Anodyne Cc1ccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)s1 ZINC000223677499 KK Annotated Anodyne Cc1ccc(OC(C)C)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1 ZINC000223677639 KK Annotated Anodyne Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cc(Cl)ccc1OC(C)C ZINC000223679374 KK Annotated Anodyne COc1ccc(C(C)(C)C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223679444 KK Annotated Anodyne COc1cccc(Cl)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223683347 KK Annotated Anodyne COc1cccc(OC)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223683746 KK Annotated Anodyne COc1cccc(OCC(C)C)c1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223683910 KK Annotated Anodyne N[C@H](CNc1nc(-c2ccnc(NC(=O)c3cccs3)c2)nc2ccsc12)Cc1ccc(C(F)(F)F)cc1 ZINC000223685858 KK Annotated Anodyne c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Sc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)n1 ZINC000223685935 KK Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223687634 KK Annotated Anodyne COc1ccc(C(C)C)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223688041 KK Annotated Anodyne CCOc1ccc(Cl)cc1-c1c(C)sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 ZINC000223688273 KK Annotated Anodyne COc1ccc(OC)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1 ZINC000223688354 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)c(F)c3)cc2)[nH]1)C(C)C ZINC000223689663 KK Annotated Anodyne Brc1ccc(CN2CCN(c3nc(-c4ccncc4)nc4sc5c(c34)CCCC5)CC2)cc1 ZINC000223691077 KK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2F)nc2c(-c3cc(C(F)(F)F)[nH]n3)csc12)Cc1ccccc1 ZINC000223692202 KK Annotated Anodyne CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cccc(F)c1 ZINC000223692509 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3oc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)c(C)cc4c(=O)c3c2)[nH]1)C(C)C ZINC000223856294 KK Annotated Bother COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nc(C)sc5c4)c3c2)CC[C@H]1C(=O)N1CC(F)(F)C1 ZINC000223867171 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CC[C@H](c3cc(Cl)ccc3OC(F)F)OC1=O)c1nc(C#N)c-2[nH]1 ZINC000223870884 KK Annotated Mild COC(=O)Nc1ccc2c(c1)N[C@@H](C(=O)OC)CCCC[C@H](N1CC[C@@H](c3cc(Cl)ccc3OC(F)F)OC1=O)c1nc(C#N)c-2[nH]1 ZINC000223870937 KK Annotated Mild COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N(C)CCCCNC(=O)OC(C)(C)C ZINC000224008935 KK Annotated Anodyne COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CO1 ZINC000224037060 KK Annotated Reactive COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CO1 ZINC000224037118 KK Annotated Reactive Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CCN(C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000224056270 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CCN(C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000224056322 KK Annotated Anodyne COc1cnc(C#N)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224060347 KK Annotated Mild COc1cnc(C#N)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224060394 KK Annotated Mild Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccc(C#N)cc3C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224060891 KK Annotated Mild Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccc(C#N)cc3C)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224060943 KK Annotated Mild COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224061880 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224061931 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3cccc(C#N)c3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224062078 KK Annotated Mild Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3cccc(C#N)c3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224062131 KK Annotated Mild COc1ccc(CN)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224062205 KK Annotated Anodyne COc1ccc(CN)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224062260 KK Annotated Anodyne COc1ccc(C#N)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224063028 KK Annotated Mild COc1ccc(C#N)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224063083 KK Annotated Mild COc1ccncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224064666 KK Annotated Anodyne COc1ccncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224064715 KK Annotated Anodyne COc1cnc(C#N)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224064785 KK Annotated Mild COc1cnc(C#N)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224064838 KK Annotated Mild COC(=O)Nc1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(F)cc2)cc1 ZINC000224065205 KK Annotated Anodyne COc1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)O)cc2)c(Cl)c1 ZINC000224065604 KK Annotated Anodyne COc1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)O)cc2)c(Cl)c1 ZINC000224065656 KK Annotated Anodyne CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(-c3ccc(C(=O)NCCN(C)C)cc3)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000224068492 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@H]2c3cccc(OCCC4CCNCC4)c3CCN2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)cc1 ZINC000224068939 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@@H]2c3cccc(OCCC4CCN(C)CC4)c3CC(C)(C)N2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)cc1 ZINC000224070508 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)[C@H]2c3cccc(OCCC4CCN(C)CC4)c3CC(C)(C)N2C(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)cc1 ZINC000224070562 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224071694 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224071747 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224071818 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C2=O ZINC000224071873 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CCN(C)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224073259 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CCN(C)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224073318 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1OCc1nn[nH]n1)C2=O ZINC000224075548 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)ccc1OCc1nn[nH]n1)C2=O ZINC000224075594 KK Annotated Anodyne CNC(=O)c1ccc(C)c(-n2nc3c(c2C(C)C)[C@@H](c2ccc(C(F)(F)F)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000224076935 KK Annotated Anodyne CNC(=O)c1ccc(C)c(-n2nc3c(c2C(C)C)[C@H](c2ccc(C(F)(F)F)cc2)N(c2cc(Cl)ccc2C)C3=O)c1 ZINC000224076993 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cc(NC(C)=O)c1)C2=O ZINC000224077525 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cc(NC(C)=O)c1)C2=O ZINC000224077566 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224078165 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224078218 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(C3CCC(O)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224078651 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(C3CCC(O)CC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224078705 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000224081426 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000224081482 KK Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000224081704 KK Annotated Anodyne COc1ncc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1 ZINC000224081752 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cncc(Cl)c1)C2=O ZINC000224084121 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cncc(Cl)c1)C2=O ZINC000224084175 KK Annotated Anodyne COc1ccncc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224084327 KK Annotated Anodyne COc1ccncc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224084379 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cn1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224087724 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cn1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224087777 KK Annotated Anodyne CNS(=O)(=O)Cc1ccc(-n2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2C)N(c2cccc(Cl)c2F)C3=O)cc1 ZINC000224088206 KK Annotated Anodyne CNS(=O)(=O)Cc1ccc(-n2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2C)N(c2cccc(Cl)c2F)C3=O)cc1 ZINC000224088250 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](CC(=O)N1CCOCC1)(c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224088453 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](CC(=O)N1CCOCC1)(c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000224088501 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](C)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224090286 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224090334 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CCN(C)C)c1)C2=O ZINC000224096291 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(CCN(C)C)c1)C2=O ZINC000224096346 KK Annotated Anodyne COc1cnc(Cl)cc1N1C(=O)c2nn(-c3ccccc3OC)c(C(C)C)c2[C@H]1c1ccc(Cl)cc1C ZINC000224100446 KK Annotated Anodyne COc1cnc(Cl)cc1N1C(=O)c2nn(-c3ccccc3OC)c(C(C)C)c2[C@@H]1c1ccc(Cl)cc1C ZINC000224100499 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224100999 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101047 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101102 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@@H](O)CN1CCCC1)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101155 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@H](O)CO)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101322 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@H](O)CO)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101379 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](C[C@@H](O)CO)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101432 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](C[C@@H](O)CO)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224101484 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccc(F)cc3F)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224102061 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccc(F)cc3F)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224102113 KK Annotated Anodyne COC(=O)CC[C@]1(c2ccc(Cl)cc2)c2c(nn(-c3ccccc3OC)c2C(C)C)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000224105130 KK Annotated Anodyne COC(=O)CC[C@@]1(c2ccc(Cl)cc2)c2c(nn(-c3ccccc3OC)c2C(C)C)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000224105180 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cc(C(N)=O)c1)C2=O ZINC000224107961 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)cc(C(N)=O)c1)C2=O ZINC000224108018 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224110181 KK Annotated Anodyne COc1ccc(C(=O)N(C)C)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224110235 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1ccnc(Cl)c1)C2=O ZINC000224111633 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1ccnc(Cl)c1)C2=O ZINC000224111700 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC3CCCCC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224113225 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC3CCCCC3)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224113278 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(Cl)cc2)c2c(nn(-c3ccccc3OC)c2C(C)C)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000224113348 KK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(Cl)cc2)c2c(nn(-c3ccccc3OC)c2C(C)C)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000224113400 KK Annotated Anodyne COc1ccc(C#N)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224116429 KK Annotated Mild COc1ccc(C#N)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224116492 KK Annotated Mild COc1ccccc1-n1nc2c(c1C1CC1)[C@@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000224119195 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C1CC1)[C@H](c1ccc(Cl)cc1C)N(c1cccc(Cl)c1F)C2=O ZINC000224119251 KK Annotated Anodyne Cc1cc(Cn2nc3c(c2C(C)C)[C@@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)n(C)n1 ZINC000224119420 KK Annotated Anodyne Cc1cc(Cn2nc3c(c2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cccc(Cl)c2F)C3=O)n(C)n1 ZINC000224119470 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@](CCO)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224120076 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@](CCO)(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O ZINC000224120123 KK Annotated Anodyne CCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000224124504 KK Annotated Anodyne CCn1cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@@H]2c2ccc(Cl)cc2)cc(Cl)c1=O ZINC000224124563 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(F)cc1F)C2=O ZINC000224125711 KK Annotated Anodyne COc1ccccc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)c(F)cc1F)C2=O ZINC000224125773 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(CC3CCN(C(=O)NC(C)C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000224133629 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(CC3CCN(C(=O)NC(C)C)CC3)c2C(C)C)C(=O)N1c1cc(Cl)ccc1C ZINC000224133683 KK Annotated Anodyne CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4c(F)cccc4Cl)sc23)c1 ZINC000224161689 KK Annotated Anodyne CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4c(Cl)cnc(N)c4F)sc23)c1 ZINC000224167296 KK Annotated Anodyne in-vitro CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4nc(N)c(F)cc4Cl)sc23)c1 ZINC000224204429 KK Annotated Anodyne CC(C)(/C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N(C1CC1)C1COC1 ZINC000224283670 KK Annotated Reactive CCN(C1COC1)C(C)(C)/C=C(/C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 ZINC000224301372 KK Annotated Reactive CC(C)(/C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CCCC1 ZINC000224310503 KK Annotated Reactive O=C(c1[nH]nc2c1CSc1sc(Br)cc1-2)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000224361967 KK Annotated Clean O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2C(F)F)CC1 ZINC000224362427 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000224362568 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)c(Cl)c3)c2)CC1 ZINC000224419977 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(C(=O)O)cc3)cc(Oc3ccc(F)cc3F)c2)CC1 ZINC000224427552 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(CC(=O)O)cc3)c2)CC1 ZINC000224430284 KK Annotated Anodyne CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccccc3C(N)=O)c2)CC1 ZINC000224430421 KK Annotated Anodyne COc1cc(Oc2cc(NC(=O)N3CCC(O)(CC(C)C)CC3)cc(Oc3ccc(F)cc3)c2)ccc1C(=O)O ZINC000224432021 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3cccc(C(C)(C)C(=O)O)c3)c2)CC1 ZINC000224433644 KK Annotated Anodyne CC(C)C[C@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 ZINC000224433705 KK Annotated Anodyne CC(C)C[C@@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 ZINC000224433718 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3F)c2)CC1 ZINC000224436947 KK Annotated Anodyne CC(C)[C@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 ZINC000224440001 KK Annotated Anodyne CC(C)[C@@]1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(C)(C)C(=O)O)cc3)c2)C1 ZINC000224440055 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc([C@@H](C)C(=O)O)cc3)c2)CC1 ZINC000224442906 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc([C@H](C)C(=O)O)cc3)c2)CC1 ZINC000224442959 KK Annotated Anodyne CC(C)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)O)cc3)c2)CC1 ZINC000224451279 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CC[C@](O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224460570 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CC[C@@](O)(C4CCCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224460625 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CC[C@](O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224467410 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(Oc2cc(NC(=O)N3CC[C@@](O)(C4CCCC4)C3)cc(Oc3ccc(F)cc3)c2)cc1 ZINC000224467459 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@@](=O)(O)OCC ZINC000224544056 KK Annotated Mild COc1ccc(S(F)(F)(F)(F)F)cc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F ZINC000224544503 KK Annotated Reactive Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccnc(Oc4c(C5CCC5)ccc(-c5cnc(N)cn5)c4F)n3)c2F)cn1 ZINC000224558667 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000224580812 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(CC)cc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(CC)cc2)C1 ZINC000224584932 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2N[C@H](c2ccccc2)C1 ZINC000224597292 KK Annotated Anodyne Cc1c(C(=O)NC2CCOCC2)cc(-c2cc(C(C)(C)C)c3c(c2)C2(CCO3)CC2)n1CC1CCCCC1 ZINC000224621367 KK Annotated Anodyne O=C(c1cnc2c(S(=O)(=O)Nc3cccnn3)cnn2c1Nc1cc(Cl)ccc1Cl)N1CCC(c2ccc(F)cc2)CC1 ZINC000224672939 KK Annotated Anodyne O=C(c1cnc2c(S(=O)(=O)Nc3nncs3)cnn2c1Nc1cc(Cl)ccc1Cl)N1CCC(c2ccc(F)cc2)CC1 ZINC000224730818 KK Annotated Anodyne Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1 ZINC000224732442 KK Annotated Anodyne Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(S(=O)(=O)NC(=O)Nc3ccccc3)cnn12 ZINC000224733827 KK Annotated Anodyne Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1 ZINC000224739594 KK Annotated Anodyne O=C(c1cnc2c(S(=O)(=O)Nc3ncccn3)cnn2c1Nc1cc(Cl)ccc1Cl)N1CCC(c2ccc(F)cc2)CC1 ZINC000224743279 KK Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(F)c2)c(F)c1 ZINC000224752569 KK Annotated Anodyne Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1 ZINC000224796783 KK Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000224824927 KK Annotated Anodyne CCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000224829032 KK Annotated Mild CC(C)(C)c1ccc(CC2(N3CCc4cc(S(=O)(=O)Nc5ccc(CCCC6CCCC6)cc5F)ccc4C3)CC2)cc1 ZINC000224830347 KK Annotated Anodyne O=C(OC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224836445 KK Annotated Anodyne CCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000224840089 KK Annotated Anodyne CC(C)CCCCCCC/C=C/CCC(=O)O[C@H](CCCCCCCCCCCC(C)C)CC(=O)NCC(=O)O ZINC000224844915 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)C[C@@H]1[C@@H](C(=O)O)C1(C)C ZINC000224844981 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)C[C@@H]1[C@@H](C(=O)O)C1(C)C ZINC000224845022 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1[C@@H](C(=O)O)C1(C)C ZINC000224856101 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1[C@@H](C(=O)O)C1(C)C ZINC000224856137 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@H]1[C@H](C(=O)O)C1(C)C ZINC000224867917 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@H]1[C@H](C(=O)O)C1(C)C ZINC000224867956 KK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1)c1ccccc1I ZINC000224880984 KK Annotated Anodyne COc1ccc(CNC(C)=O)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224893663 KK Annotated Anodyne COc1ccc(CNC(C)=O)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224893702 KK Annotated Anodyne COc1ccc(CNC=O)cc1-n1nc2c(c1C(C)C)[C@@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224893758 KK Annotated Anodyne COc1ccc(CNC=O)cc1-n1nc2c(c1C(C)C)[C@H](c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O ZINC000224893795 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2cc(Cl)c(O)cc2O)cc(Cl)c1Cl ZINC000224905349 KK Annotated Anodyne O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1I ZINC000224910209 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(-c3ccccc3Cl)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224912112 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@H]1c2c(nn(-c3ccccc3Cl)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000224912152 KK Annotated Anodyne O=C(c1ccc(O)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(O)cc2O)cc(Cl)c1Cl ZINC000224940164 KK Annotated Anodyne Cc1cc(O)c(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3cc(Cl)c(C)cc3O)cc(Cl)c2Cl)cc1Cl ZINC000224940368 KK Annotated Anodyne O=C(O)CSc1ccc(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3ccc(SCC(=O)O)cc3O)cc(Cl)c2Cl)c(O)c1 ZINC000224940509 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1OCCN1CCCCC1 ZINC000224944843 KK Annotated Anodyne CC(C)(C)C(=O)O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022580987 KK Annotated Anodyne Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022927055 KK Annotated Anodyne Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 ZINC000022927072 KK Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc(Cl)cc3)c2)C[C@H]1C ZINC000022928132 KK Annotated Mild CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000022931162 KK Annotated Anodyne CC(C)N(CCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O ZINC000022934256 KK Annotated Anodyne CC(C)N(CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)c1cc(C(C)(C)C)ccc1O ZINC000022934260 KK Annotated Anodyne Cc1ccc(O)c(N(CCCN2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)C(C)C)c1 ZINC000022934268 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 ZINC000022941797 KK Annotated Anodyne Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000022941914 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225036777 KK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)cccc2c1 ZINC000225040245 KK Annotated Anodyne O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)nccc2c1 ZINC000225042013 KK Annotated Anodyne O=C(ON(c1ccncn1)S(=O)(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)nccc2c1)C(F)(F)F ZINC000225042572 KK Annotated Mild O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3CCNCC3)cccc2c1 ZINC000225048866 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)nccc2c1 ZINC000225050137 KK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nc(C(F)(F)F)cs3)ccc12 ZINC000225053835 KK Annotated Anodyne CN1CCC(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ccncn4)ccc23)CC1 ZINC000225055030 KK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3nnc(Cl)s3)ccc12 ZINC000225055631 KK Annotated Anodyne COc1cc(C(F)(F)F)ccc1-c1nc(N(C)C)cc2cc(S(=O)(=O)Nc3nccs3)ccc12 ZINC000225056258 KK Annotated Anodyne CN1CCC(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4ncc(F)s4)ccc23)CC1 ZINC000225057175 KK Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3CCNCC3)cccc2c1 ZINC000225057338 KK Annotated Anodyne Cc1cnc(OCCOc2ccccc2)c(-c2nccc3cc(S(=O)(=O)Nc4nccs4)ccc23)c1 ZINC000225059845 KK Annotated Anodyne CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)Nc4nccs4)ccc23)CC1 ZINC000225073964 KK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225086230 KK Annotated Mild O=S(=O)(Nc1nccs1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cccc2c1 ZINC000225087281 KK Annotated Anodyne COc1cc(-c2ccc(F)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225087440 KK Annotated Anodyne COc1cc(-c2ccc(F)c(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225088540 KK Annotated Anodyne COc1cc(-c2ccc(F)c(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225091578 KK Annotated Anodyne COc1cc(-c2cc(F)cc(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225092851 KK Annotated Anodyne COc1cc(-c2cc(C)cc(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225096093 KK Annotated Anodyne COc1cc(-c2cccc(C(F)(F)F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225102803 KK Annotated Anodyne COc1cc(-c2c(F)cccc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225103796 KK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225103849 KK Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNCC3)cccc2c1 ZINC000225108223 KK Annotated Anodyne COc1cc(-c2cc(F)cc(F)c2)c(C#N)cc1-c1nccc2cc(S(=O)(=O)Nc3ccon3)ccc12 ZINC000225110828 KK Annotated Mild O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3cn[nH]c3)cccc2c1 ZINC000225110989 KK Annotated Anodyne COc1cc(-c2cc(F)cc(C#N)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225111294 KK Annotated Mild COc1cc(-c2cc(F)ccc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225112000 KK Annotated Anodyne COc1cc(-c2cccc(F)c2)c(Cl)cc1-c1ncnc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225113079 KK Annotated Anodyne COc1ccc(-c2cccc(C(F)(F)F)c2)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225113463 KK Annotated Anodyne COc1cc(-c2ccc(Cl)c(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225115204 KK Annotated Anodyne COc1cc(-c2ccc(F)cc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225115308 KK Annotated Anodyne COc1cc(-c2ccc(F)c(C#N)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225115420 KK Annotated Mild COc1cc(-c2cc(F)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225115749 KK Annotated Anodyne CCCCCCCCCC[C@H](CC/C=C\CCC(=O)c1c(OC(C)=O)cccc1OC(C)=O)OC(C)=O ZINC000225117645 KK Annotated Mild Cn1cncc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000225117763 KK Annotated Anodyne COc1cc(-c2cccc(F)c2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225117871 KK Annotated Anodyne Cn1ccnc1-c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncc(F)s3)ccc12 ZINC000225118028 KK Annotated Anodyne O=S(=O)(Nc1ncc(F)s1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-n3ccnc3)cccc2c1 ZINC000225118092 KK Annotated Anodyne COc1cc(-c2cc(C)cc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225121119 KK Annotated Anodyne COc1cc(-c2ccc3[nH]ccc3c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225121319 KK Annotated Anodyne COc1cc(-c2ccc(Cl)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225122122 KK Annotated Anodyne COc1cc(Oc2ccccc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225122583 KK Annotated Anodyne COc1cc(-c2ccc(C)c(Cl)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225122794 KK Annotated Anodyne COc1cc(-c2ccc(F)c(F)c2)c(F)cc1-c1nccc2cc(S(=O)(=O)Nc3nncs3)ccc12 ZINC000225129162 KK Annotated Anodyne COc1cc(-c2ccc(C)c(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225129773 KK Annotated Anodyne COc1cc(-c2c(C)ccnc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225136773 KK Annotated Anodyne COc1cc(-c2cnc(F)c(C)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12 ZINC000225144093 KK Annotated Anodyne COc1cc(F)cc(-c2ccc(-c3nccc4cc(S(=O)(=O)Nc5ccncn5)ccc34)c(OC)c2)c1 ZINC000225153103 KK Annotated Anodyne C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)Nc6ccc(OC)nc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225260346 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(-c2ccc(OC)c(OC)c2CCCCCCCCCCCCCCC)cc(OC)c1OC ZINC000225262019 KK Annotated Mild CCCCCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCCCCCCCCC)c(OC)c2OC)c(OC)c1OC ZINC000225262738 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(-c2ccc(CCCCCCCCCCCCCCC)c(OC)c2OC)cc(OC)c1OC ZINC000225263119 KK Annotated Mild CCCCCCCCCCCCCCCc1cc2oc3c(OC)c(CCCCCCCCCCCCCCC)ccc3c2c(OC)c1OC ZINC000225263753 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)Nc6ccccc6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225269773 KK Annotated Mild COc1cnc(=O)[nH]c1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000225317834 KK Annotated Anodyne COc1cnc(=O)[nH]c1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1F)C2=O ZINC000225317869 KK Annotated Anodyne CCc1nccc(-c2ccc(C(=O)N3C[C@@H]4C[C@H]3CN4c3ccc(F)cc3)c(F)c2)c1C#Cc1ccc(N)nc1 ZINC000225353335 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)N6CCOCC6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419005 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)Nc6ccc(OC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419510 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)Nc6ccccc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419573 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)NCCc6ccccc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419632 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)NC6CCCCC6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419687 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)Nc6ncccn6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419918 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)NC6CCCC6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225419978 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)Nc6cnccn6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000225420028 KK Annotated Mild COC(=O)C[C@@H]1N=C(c2ccc(-c3cccc(NC(C)=O)c3)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 ZINC000225732092 KK Annotated Anodyne COc1cc2[nH]c(C#N)cc2cc1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000225857006 KK Annotated Anodyne in-vitro CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)nn2-c2ccc(S(C)(=O)=O)cc2)cc(C(C)(C)C)c1 ZINC000225948789 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2F)n1 ZINC000226011223 KK Annotated Anodyne CCC(CC)(Cc1nc2ccc(OCc3ncc(C)cc3F)cc2n1Cc1ccc(N2CCC(C)CC2)cc1F)C(=O)O ZINC000226012029 KK Annotated Clean Cc1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4F)c3c2)nc1 ZINC000226012568 KK Annotated Clean Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1 ZINC000226012644 KK Annotated Clean Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)c(F)c1 ZINC000226012895 KK Annotated Anodyne Cc1cc(OC(F)(F)F)ccc1Cn1c([C@@H]2CCCC[C@@H]2C(=O)O)nc2ccc(OCc3ccn(C)n3)cc21 ZINC000226014495 KK Annotated Anodyne Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 ZINC000226016907 KK Annotated Anodyne Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4c(F)cc(Br)cc4F)c3c2)c(F)c1 ZINC000226016948 KK Annotated Anodyne Cn1cc(F)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226017266 KK Annotated Anodyne Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000226017477 KK Annotated Anodyne Cn1ccc(COc2cc3c(cc2F)nc([C@@H]2CCCC[C@@H]2C(=O)O)n3Cc2ccc(OC(F)(F)F)cc2F)n1 ZINC000226018932 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226019061 KK Annotated Anodyne Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)c(F)c1 ZINC000226019963 KK Annotated Clean Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)n1 ZINC000226021233 KK Annotated Clean Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4)c3c2)c(F)c1 ZINC000226022517 KK Annotated Clean Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226022532 KK Annotated Anodyne Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000226024159 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)n1 ZINC000226028997 KK Annotated Clean Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)c(F)c4)c3c2)n1 ZINC000226029103 KK Annotated Anodyne Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(Br)cc4F)c3c2)n1 ZINC000226029561 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4Cl)c3c2)n1 ZINC000226030022 KK Annotated Anodyne Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1 ZINC000226031960 KK Annotated Clean Cc1cnc(COc2ccc3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4F)c3c2)c(F)c1 ZINC000226031989 KK Annotated Clean Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)CC5)cc4)c3c2)n1 ZINC000226032982 KK Annotated Clean Cc1cnc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(C)CC5)cc4)c3c2)c(F)c1 ZINC000226033695 KK Annotated Clean Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4Br)c3c2)n1 ZINC000226036717 KK Annotated Anodyne CCC(CC)(Cc1nc2ccc(OCc3ccn(C)n3)cc2n1Cc1ccc(N2CCC(C(F)(F)F)CC2)cc1F)C(=O)O ZINC000226037072 KK Annotated Clean Cc1cc(Cn2c([C@@H]3CCCC[C@@H]3C(=O)O)nc3ccc(OCc4ccn(C)n4)cc32)ccc1OC(F)(F)F ZINC000226037122 KK Annotated Anodyne Cn1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4F)c3c2)n1 ZINC000226037202 KK Annotated Anodyne Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(OC(F)(F)F)cc4)c3c2)n1 ZINC000226037261 KK Annotated Anodyne Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)CC5)cc4)c3c2)n1 ZINC000226040784 KK Annotated Clean Cn1ccc(COc2ccc3nc(CC4(C(=O)O)CCCC4)n(Cc4ccc(Br)cc4)c3c2)n1 ZINC000226040833 KK Annotated Anodyne Cn1ccc(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)n1 ZINC000226041985 KK Annotated Clean Cn1ccc(COc2cc(F)c3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)n1 ZINC000226042514 KK Annotated Clean Cn1ccc(COc2cc(F)c3nc([C@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CC(F)(F)C5)cc4)c3c2)n1 ZINC000226042575 KK Annotated Clean CC(C)S(=O)(=O)N1CCC[C@H](c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)C1 ZINC000226043154 KK Annotated Anodyne CC(C)S(=O)(=O)N1CCC[C@@H](c2cc3c(-c4nc(NCc5ccccc5)ccc4Cl)ccnc3[nH]2)C1 ZINC000226043167 KK Annotated Anodyne Cn1cc(Cl)c(COc2ccc3nc([C@@H]4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCCCC5)cc4)c3c2)n1 ZINC000226049422 KK Annotated Clean CN1CCC(c2cc3c(-c4nc(NCc5ccc(OCC(=O)O)cc5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226051020 KK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NC[C@H]5CCN(C(=O)OC(C)(C)C)C5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226072945 KK Annotated Anodyne CN1CCC(c2cc3c(-c4nc(NC[C@@H]5CCN(C(=O)OC(C)(C)C)C5)ccc4Cl)ccnc3[nH]2)CC1 ZINC000226072963 KK Annotated Anodyne C=Cc1csc(-c2cc(O[C@H]3C[C@H]4C(=O)N(C)CCCC/C=C/[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N4C3)c3ccc(OC)c(Cl)c3n2)n1 ZINC000226079156 KK Annotated Anodyne O=C(O)[C@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000226100867 KK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(Br)cc1 ZINC000226100880 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C[C@@H](C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000226102272 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@@H](OCCOC)[C@@H]1OC[C@@H](OCCOC)[C@@H]1OCCOC ZINC000227596930 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCOC)[C@@H]1OC[C@@H](OCCOC)[C@@H]1OCCOC ZINC000227596932 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCOC)[C@H]1OC[C@@H](OCCOC)[C@@H]1OCCOC ZINC000227596941 KK Annotated Mild in-vitro CC(C)(C)C(=O)O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023257020 KK Annotated Anodyne CN(C)CCN1CCN(c2nc(-c3ccccc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000023359218 KK Annotated Anodyne CN(C)CCN1CCN(c2nc(-c3ccc(Cl)cc3Cl)c3c(n2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000023359219 KK Annotated Anodyne CN1CCN(Cc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)s2)CC1 ZINC000023359284 KK Annotated Anodyne Cc1c(CN2CCN(C)CC2)sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c1Cl ZINC000023359290 KK Annotated Anodyne CN1CCN(Cc2cc(Nc3nc4cc(Oc5ccnc6ccccc56)cc(Cl)c4o3)ccc2Cl)CC1 ZINC000023359498 KK Annotated Anodyne CN1C[C@@H](c2c[nH]c3cc(Br)ccc23)N(C)C[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000023377809 KK Annotated Anodyne CN1C[C@H](c2c[nH]c3cc(Br)ccc23)N(C)C[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000023377811 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(O)c3c(=O)c(CC=C(C)C)c(-c4ccc(O)cc4O)oc23)c1O ZINC000230066710 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)c1O ZINC000230066759 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)c1O ZINC000230066764 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)c1O ZINC000230066772 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)c1O ZINC000230066777 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)c1O ZINC000230066786 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)c1O ZINC000230066791 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)c1O ZINC000230066798 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)c1O ZINC000230066803 KK Annotated Mild in-man CC1=C[C@@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000230066808 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000230066813 KK Annotated Anodyne in-man endogenous CC1=C[C@@H](c2c(O)ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000230066818 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000230066821 KK Annotated Anodyne in-man CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@H]23 ZINC000230066839 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000230066849 KK Annotated Anodyne in-man endogenous CC[C@@H](C)[C@@H](/C(O)=N/[C@@H]1/C(O)=N\[C@@H](CC(C)C)/C(O)=N\C=C/c2ccc(cc2)O[C@@H]1C(C)C)N(C)C ZINC000230067029 KK Annotated Mild in-man COc1ccc2cc1/C=C\N=C(/O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H]1[C@@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000230067081 KK Annotated Mild in-man COc1ccc2cc1/C=C/N=C(\O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H]1[C@@H](CCN1C(=O)[C@@H](Cc1ccccc1)/N=C(\O)[C@@H](Cc1ccccc1)N(C)C)O2 ZINC000230067088 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230068018 KK Annotated Mild in-man C=C(C)[C@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230068022 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230068027 KK Annotated Mild in-man C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230068034 KK Annotated Mild in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@@]51C ZINC000230068039 KK Annotated Anodyne in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=C[C@H](O)[C@@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@@]51C ZINC000230068044 KK Annotated Anodyne in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@H]3CC[C@@]2(C)[C@@]51C ZINC000230068048 KK Annotated Anodyne in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=C[C@H](O)[C@@H](C(C)(C)O)O[C@H]3CC[C@@]2(C)[C@@]51C ZINC000230068053 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068059 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068064 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068070 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)[C@@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068076 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068084 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068089 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068094 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@H](CC[C@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000230068099 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000230071486 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230071490 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000230071493 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230071497 KK Annotated Anodyne in-man Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000230072340 KK Annotated Clean in-man Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000230072346 KK Annotated Clean in-man Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000230072356 KK Annotated Clean in-man Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c([C@@H]2c3ccc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@@H]2O)c(O)c2c1O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000230072366 KK Annotated Clean in-man CC1=C[C@@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000230075596 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000230075599 KK Annotated Anodyne in-man CC1=C[C@@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000230075603 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000230075609 KK Annotated Anodyne in-man C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000230075614 KK Annotated Anodyne in-man C[C@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000230075617 KK Annotated Anodyne in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000230075622 KK Annotated Anodyne in-man C[C@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000230075627 KK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230076750 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230076755 KK Annotated Mild in-man endogenous CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230076758 KK Annotated Mild in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@@]5(C)CC[C@@]4(C)C3=CC[C@@H]12 ZINC000230079117 KK Annotated Anodyne in-man CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@@]5(C)CC[C@@]4(C)C3=CC[C@@H]12 ZINC000230079121 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@@]5(C)CC[C@@]4(C)C3=CC[C@@H]12 ZINC000230079124 KK Annotated Anodyne in-man CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@@]5(C)CC[C@@]4(C)C3=CC[C@@H]12 ZINC000230079126 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000230079870 KK Annotated Anodyne in-man Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000230079878 KK Annotated Anodyne in-man CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000230081774 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000230081782 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000230081788 KK Annotated Mild in-man CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230082303 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230082309 KK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230082313 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230082319 KK Annotated Anodyne in-man endogenous Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230082718 KK Annotated Anodyne in-man Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230082723 KK Annotated Anodyne in-man Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230082728 KK Annotated Anodyne in-man Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230082733 KK Annotated Anodyne in-man CC1=C(C#C/C(C)=C/C=C\C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000230083280 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C\C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000230083285 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C\C=C/C=C(C)/C=C2/C=C(/C=C/[C@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000230083288 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C\C=C/C=C(C)/C=C2/C=C(/C=C/[C@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000230083292 KK Annotated Mild in-man CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000230084049 KK Annotated Mild in-man endogenous CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000230084054 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)c1O ZINC000230084136 KK Annotated Anodyne in-man CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000230084157 KK Annotated Mild in-man CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000230084161 KK Annotated Mild in-man CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000230084165 KK Annotated Mild in-man CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000230084166 KK Annotated Mild in-man CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000230084169 KK Annotated Mild in-man CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000230084175 KK Annotated Mild in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]2c3c5c(cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]42)O[C@@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)cc1 ZINC000230085545 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@@H]3c5c(cc(O)cc5[C@H]2[C@@H]4c2ccc(O)cc2)O[C@@H]3c2ccc(O)cc2)cc1 ZINC000230085551 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]2c3c5c(cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]42)O[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)cc1 ZINC000230085559 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@H]2c2cc(O)cc(O)c2)[C@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@@H]3c5c(cc(O)cc5[C@H]2[C@@H]4c2ccc(O)cc2)O[C@@H]3c2ccc(O)cc2)cc1 ZINC000230085566 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085586 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085592 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085597 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085603 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085609 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085614 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085618 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230085621 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@@H]2[C@@]1(C)CC3 ZINC000230085808 KK Annotated Anodyne in-man CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@@H]2[C@@]1(C)CC3 ZINC000230085816 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@@H]2[C@@]1(C)CC3 ZINC000230085822 KK Annotated Anodyne in-man CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@@H]2[C@@]1(C)CC3 ZINC000230085826 KK Annotated Anodyne in-man C[C@@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000230086444 KK Annotated Anodyne in-man C[C@]12C[C@H](c3ccc(O)cc3O1)[C@@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000230086448 KK Annotated Anodyne in-man CC1=C(C#C/C(C)=C\C=C/C=C\C=C(C)\C=C2/C=C(/C=C/[C@@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000230087737 KK Annotated Mild in-man CC1=C(C#C/C(C)=C\C=C/C=C\C=C(C)\C=C2/C=C(/C=C/[C@@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000230087741 KK Annotated Mild in-man CC1=C(C#C/C(C)=C\C=C/C=C\C=C(C)\C=C2/C=C(/C=C/[C@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000230087747 KK Annotated Mild in-man CC1=C(C#C/C(C)=C\C=C/C=C\C=C(C)\C=C2/C=C(/C=C/[C@]3(O)C(C)(C)C[C@@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000230087752 KK Annotated Mild in-man CC(=O)CCCC(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\C1=C(C)C[C@@H](O)CC1(C)C ZINC000230088222 KK Annotated Mild in-man CC(=O)CCCC(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\C1=C(C)C[C@H](O)CC1(C)C ZINC000230088235 KK Annotated Mild in-man 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@@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000230088246 KK Annotated Mild in-man 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@@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000230088252 KK Annotated Mild in-man 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@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000230088256 KK Annotated Mild in-man 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@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000230088262 KK Annotated Mild in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000230089008 KK Annotated Anodyne in-man CC1(C)[C@H](OC(=O)c2ccc(N)cc2)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 ZINC000230089012 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000230089016 KK Annotated Anodyne in-man CC1(C)[C@H](OC(=O)c2ccc(N)cc2)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 ZINC000230089023 KK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230092911 KK Annotated Reactive in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230092917 KK Annotated Reactive in-man endogenous CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000230092923 KK Annotated Reactive in-man CC(=O)CCCC(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(=O)C(C)(C)CCCC(C)=O ZINC000230095432 KK Annotated Mild in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000230095782 KK Annotated Mild in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000230095786 KK Annotated Mild in-man COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C/CC/C(C)=C/C3)c(O)c2c1C/C=C(/C)CC/C=C(\C)C2 ZINC000230095823 KK Annotated Anodyne in-man COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C/CC/C(C)=C/C3)c(O)c2c1C/C=C(\C)CC/C=C(/C)C2 ZINC000230095829 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@H]2[C@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000230099449 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000230099451 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@@H]2[C@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000230099459 KK Annotated Anodyne in-man C/C(=C\COc1c2c(cc3occc13)O[C@]1(C=C2)O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1)CC[C@@H](O)C(C)(C)O ZINC000230099797 KK Annotated Anodyne in-man O=C(/C=C/[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230100641 KK Annotated Anodyne in-man O=C(/C=C/[C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230100647 KK Annotated Anodyne in-man O=C(/C=C/[C@@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230100653 KK Annotated Anodyne in-man O=C(/C=C/[C@H]1[C@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000230100658 KK Annotated Anodyne in-man C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230101181 KK Annotated Mild in-man C=C(C)[C@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230101187 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230101193 KK Annotated Mild in-man C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@@H]1O ZINC000230101195 KK Annotated Mild in-man CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(OC)c2c1C/C(C)=C/CC/C(C)=C\C2 ZINC000230101430 KK Annotated Mild in-man CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(OC)c2c1C/C(C)=C\CC/C(C)=C/C2 ZINC000230101434 KK Annotated Mild in-man CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(OC)c2c1C/C(C)=C/CC/C(C)=C/C2 ZINC000230101438 KK Annotated Mild in-man CC(=O)O[C@@H](C[C@@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000230102444 KK Annotated Anodyne in-man CC(=O)O[C@H](C[C@@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000230102448 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000230103430 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230103436 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000230103443 KK Annotated Anodyne in-man Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230103451 KK Annotated Anodyne in-man CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@](O)(CO)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000230103950 KK Annotated Anodyne in-man CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H](C[C@@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@@](O)(CO)CC[C@H]21 ZINC000230103958 KK Annotated Anodyne in-man CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@](O)(CO)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000230103966 KK Annotated Anodyne in-man CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C[C@@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@@](O)(CO)CC[C@H]21 ZINC000230103971 KK Annotated Anodyne in-man CC(=O)OC[C@@]1(O)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000230103978 KK Annotated Anodyne in-man CC(=O)OC[C@]1(O)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000230103985 KK Annotated Anodyne in-man CC(=O)OC[C@@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000230103992 KK Annotated Anodyne in-man CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@@]2(C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000230103998 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)c1O ZINC000230104301 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)c1O ZINC000230104306 KK Annotated Anodyne in-man CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(\C)[C@@H](O)CC[C@@H]4C[C@@H](C)[C@@H](O4)/C(C)=C\CCC4=NCCC[C@@]43CC2)OC1=O ZINC000230104359 KK Annotated Anodyne in-man CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(/C)[C@@H](O)CC[C@@H]4C[C@@H](C)[C@@H](O4)/C(C)=C\CCC4=NCCC[C@@]43CC2)OC1=O ZINC000230104365 KK Annotated Anodyne in-man Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230104771 KK Annotated Anodyne in-man Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230104778 KK Annotated Anodyne in-man Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000230104783 KK Annotated Anodyne in-man C[C@H](CCC(=O)N[C@H](CC(=O)O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000230444129 KK Annotated Anodyne C[C@H](NC(=O)CC(F)(F)F)c1cccc(CC(=O)/N=C(/N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000230500000 KK Annotated Mild CC(C)CC(=O)N[C@H](C)c1cccc(CC(=O)/N=C(/N)CCC(=N)CCCCc2nnc(NC(=O)Cc3ccccc3)s2)c1 ZINC000230500053 KK Annotated Mild N#C[C@@]1(P(=O)(Oc2ccccc2)Oc2ccccc2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230512607 KK Annotated Mild N#C[C@]1(P(=O)(Oc2ccccc2)Oc2ccccc2)CC=C(C(=O)OC(c2ccccc2)c2ccccc2)C1 ZINC000230512648 KK Annotated Mild CCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(CCCC)CCC[N+](C)(C)CCCCCCCCCCCC ZINC000230523340 KK Annotated Mild C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)CCC(=O)OCC(=C)[C@@H]2CC[C@@](C)(C=C)[C@H](C(=C)C)C2)C[C@H]1C(=C)C ZINC000230524864 KK Annotated Mild C=C(C)O[C@H]1[C@@H](C)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](C/C=C(/C)[C@H](OC(=C)C)[C@@H]12)C3(C)C ZINC000230540838 KK Annotated Anodyne in-vitro CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO[P@@](=O)(O)OC[C@H](O)CO ZINC000230569169 KK Annotated Anodyne in-vitro COC(=O)Nc1ccc2c(c1)NCCCCC[C@H](NC(=O)/C=C/c1c(C(C)=O)ccc(Cl)c1F)c1nc(C#N)c-2[nH]1 ZINC000230572628 KK Annotated Mild COCCCOc1cc(Cl)ccc1[C@@]1(C)c2c(nn(-c3ccccc3OC)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000230575171 KK Annotated Anodyne COCCCOc1cc(Cl)ccc1[C@]1(C)c2c(nn(-c3ccccc3OC)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000230575207 KK Annotated Anodyne [C-]#[N+]c1cc(Cl)cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@H]2c2ccc(Cl)cc2C)c1 ZINC000230575351 KK Annotated Anodyne [C-]#[N+]c1cc(Cl)cc(N2C(=O)c3nn(-c4ccccc4OC)c(C(C)C)c3[C@@H]2c2ccc(Cl)cc2C)c1 ZINC000230575388 KK Annotated Anodyne [C-]#[N+]c1ccc([C@@H]2c3c(nn(-c4cc(C#N)ccc4OC)c3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000230576023 KK Annotated Mild [C-]#[N+]c1ccc([C@H]2c3c(nn(-c4cc(C#N)ccc4OC)c3C(C)C)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000230576061 KK Annotated Mild [C-]#[N+]c1ccc([C@@H]2c3c(nn(-c4cc(C#N)ccc4OC)c3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)c(C)c1 ZINC000230576404 KK Annotated Mild [C-]#[N+]c1ccc([C@H]2c3c(nn(-c4cc(C#N)ccc4OC)c3C(C)C)C(=O)N2c2cc(Cl)c(=O)n(C)c2)c(C)c1 ZINC000230576442 KK Annotated Mild [C-]#[N+]c1ccc([C@@H]2c3c(nn(-c4cc(C#N)ccc4OC)c3C(C)C)C(=O)N2c2cc(Cl)ccc2C)c(C)c1 ZINC000230576793 KK Annotated Mild [C-]#[N+]c1ccc([C@H]2c3c(nn(-c4cc(C#N)ccc4OC)c3C(C)C)C(=O)N2c2cc(Cl)ccc2C)c(C)c1 ZINC000230576834 KK Annotated Mild COC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c1ccc(OCCCCCc2ccc(NC(=O)[C@H](C3CCCCC3)N3CCC[C@H](N)C3=O)cc2)cc1 ZINC000230583416 KK Annotated Anodyne in-vitro COC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c1cc(CCCCCc2ccc(NC(=O)[C@H](C3CCCCC3)N3CCC[C@H](N)C3=O)cc2)ccc1F ZINC000230583478 KK Annotated Anodyne in-vitro CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000230586330 KK Annotated Anodyne in-vitro CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)cc3[nH]2)c1 ZINC000230815548 KK Annotated Anodyne COc1ccc(NC(=O)c2nc(-c3cccc4ccccc34)sc2Cc2ccc(OP(=O)(O)O)cc2)cc1 ZINC000230816572 KK Annotated Anodyne COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@H](C/C=C\CCCCCO[Si](C)(C)C)O[Si](C)(C)C ZINC000231212319 KK Annotated Reactive COC(=O)c1c(Sc2c(O)cc(OC)c(C(=O)c3c(O)cc(C)cc3OC)c2C(=O)OC)c(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1OC ZINC000231364054 KK Annotated Anodyne COc1cc([C@H]2O[C@H](c3ccc(O[C@H](C)C(=O)c4ccccc4)c(OC)c3)[C@H](C)[C@H]2C)ccc1O[C@H](C)C(=O)c1ccccc1 ZINC000231364788 KK Annotated Anodyne CCOC(C)(C)[C@@H](Br)[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C=O)=CC[C@@H]23)O1 ZINC000231365026 KK Annotated Reactive O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)C(F)F)c2)c2ccccc21)C(F)(F)F ZINC000231391543 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)C(F)F)c2)c2ccccc21)C(F)(F)F ZINC000231391571 KK Annotated Mild COc1ccc2c(O[C@H]3C[C@H]4C(=O)N(C)CCCC/C=C/[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000231605775 KK Annotated Anodyne CCCCCCC[C@@H](Cl)[C@@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000231928775 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000231928778 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000231928780 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O ZINC000231928784 KK Annotated Reactive CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928788 KK Annotated Reactive CCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928791 KK Annotated Reactive CCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928794 KK Annotated Reactive CCCCCC[C@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928797 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928801 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928805 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928807 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928810 KK Annotated Reactive CCCCCC[C@@H](Cl)C[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928814 KK Annotated Reactive CCCCCC[C@H](Cl)C[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928818 KK Annotated Reactive CCCCCC[C@@H](Cl)C[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928820 KK Annotated Reactive CCCCCC[C@H](Cl)C[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928824 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O ZINC000231928832 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O ZINC000231928836 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O ZINC000231928839 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O ZINC000231928841 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928845 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928848 KK Annotated Reactive CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928850 KK Annotated Reactive CCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O ZINC000231928854 KK Annotated Reactive CCCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000231928857 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000231928861 KK Annotated Reactive CCCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000231928864 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O ZINC000231928866 KK Annotated Reactive CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936281 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936284 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936287 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936291 KK Annotated Anodyne CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936294 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936297 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936300 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936369 KK Annotated Mild CCCCCC[C@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936373 KK Annotated Anodyne CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936377 KK Annotated Anodyne CCCCCC[C@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936380 KK Annotated Anodyne CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936383 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936387 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936389 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936393 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936396 KK Annotated Anodyne CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936399 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936402 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936406 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936408 KK Annotated Mild CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936412 KK Annotated Anodyne CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936415 KK Annotated Anodyne CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936419 KK Annotated Anodyne CC(C)CCCCCCCCCCCOC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936422 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936430 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936435 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936440 KK Annotated Anodyne CC(C)CCCCCCCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936442 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936459 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936462 KK Annotated Anodyne CC(C)CCCC[C@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936465 KK Annotated Anodyne CC(C)CCCC[C@@H](C)CCCCCCCC(=O)OC[C@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231936469 KK Annotated Anodyne CCCCCC[C@H](C)CCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231942850 KK Annotated Bother CCCCCC[C@@H](C)CCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231942854 KK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231942960 KK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OC[C@@H](CO)OCCCCCCCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1 ZINC000231942964 KK Annotated Bother O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000023968605 KK Annotated Bother O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000023968607 KK Annotated Bother CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C\C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C ZINC000238730514 KK Annotated Reactive investigational CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C\[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C ZINC000238730515 KK Annotated Reactive investigational CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C\C=C\[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C ZINC000238730516 KK Annotated Reactive investigational CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C ZINC000238730517 KK Annotated Reactive investigational COc1ccc2c(O[C@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@@H]5/C=C/CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000238730559 KK Annotated Anodyne in-vitro CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000238730560 KK Annotated Mild world CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@@]1(C(=O)C(C)C)C2=O ZINC000238730561 KK Annotated Mild world CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12CC[C@H](/C(=C\C=C\C(C)=C\CC=C(C)C)COC(C)=O)[C@H]2O ZINC000238730648 KK Annotated Reactive COc1cc2[nH]c3c(c2cc1CC1=C(C)OC[C@H]2[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@@H]12)N4C)C[C@H]1[C@@H]2COC=C(C(C)=O)[C@@H]2C[C@@H]3N1C ZINC000238730654 KK 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[Si](C)(C)C)C(C)(C)[C@H]3CC[C@]21C ZINC000238730685 KK Annotated Reactive CSC(=O)CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000238730736 KK Annotated Mild COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC(C)=O)[C@H]2c1c(OC)cc2c(c1OC)C[C@@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238730750 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000238730775 KK Annotated Anodyne CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2C(=O)[C@@H]1O[C@H]1C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@](O)(CCc2ccoc2)[C@@H]1C ZINC000238730777 KK 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](NC(=O)c1ccccc1)[C@]4(C)CO)N(C)C ZINC000238730789 KK Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)C[C@@H]2[C@H](/C=C(\C)C(=O)[C@]3(OC(C)=O)C[C@@H](C)[C@@H](OC(=O)c4ccccc4)[C@H]3[C@@H]1OC(C)=O)C2(C)C ZINC000238730808 KK Annotated Mild O=C1C=C[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6ccc(O)cc67)[C@@H]3CC5)[C@@H]4N2CCC1 ZINC000238730829 KK Annotated Mild C=C(C)[C@H]1CC=C(CCC[C@@H](C)CO[C@@H]2OC[C@@H](OC(=O)/C(C)=C/CCC3=CC[C@@H](C(=C)C)C[C@H]3O)[C@H](O)[C@H]2O)CC1 ZINC000238730840 KK Annotated Mild C/C=C1C(=C\c2[nH]c(/C=C3/N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)OC)c(CCC(=O)OC)c2C)/NC(=O)[C@@H]/1C ZINC000238730961 KK Annotated Anodyne Oc1ccc(/C=C/[C@@H]([C@@H](O)CCCc2ccc(O)cc2)[C@H]2[C@@H](O)C[C@H](CCc3ccc(O)cc3)O[C@@H]2c2ccc(O)cc2)cc1 ZINC000238730973 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CC[C@@H]1c2cc3[nH]c(cc4cc(C)c(cc5cc(C)c(cc(n2)C1(C)C)[nH]5)n4)c(C)c3CCC(=O)O)C(=O)O ZINC000238730976 KK Annotated Bother CCCCCc1cc2cc(OC)c(O)c(Oc3c(O)cc(O)c(C(=O)OCc4ccccc4)c3CCCCC)c2c(=O)o1 ZINC000238730998 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CC[C@@H]1c2cc3[nH]c(cc4cc(C)c(cc5cc(C)c(cc(n2)C1(C)C)[nH]5)n4)c(C)c3CCC(=O)O)C(=O)OC ZINC000238731013 KK Annotated Bother CC(=O)OCC[C@@H](C)CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)C[C@@H](OC(=O)CC(=O)OC[C@@H]3CC[C@@H]([C@@](C)(O)CCC=C(C)C)CC3)C[C@@]12C ZINC000238731066 KK Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@@H]3CCc4c(C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)c(CCC[C@H](C)O)nc([n+]43)N2)O1 ZINC000238731083 KK Annotated Anodyne CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4[C@H](O)C[C@H]([C@H](C)N(C)C)[C@@]4(COC(=O)/C=C(\C)C(C)C)CC[C@@H]32)C1 ZINC000238731164 KK Annotated Anodyne CC(=O)OC/C1=C\[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CCC1)C2(C)C ZINC000238731210 KK Annotated Mild CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000238731244 KK Annotated Reactive Oc1ccc([C@@H](O)[C@@H]2c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3)[C@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238731384 KK Annotated Anodyne O=C1C=C2[C@@H]3c4c(cc(O)cc4[C@@H]4c5c(O)cc6c(c5[C@H]5[C@@H](c7ccc(O)cc7)[C@@H]1C(=O)[C@@]25[C@H]4c1ccc(O)cc1)[C@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O6)O[C@@H]3c1ccc(O)cc1 ZINC000238731385 KK Annotated Mild CCCCCCCCC[C@@](C)(OC[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C ZINC000238731408 KK Annotated Reactive CC[C@@]1(C)CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@@]23C(=O)O[C@H]2[C@H](CO)O[C@H](Oc3ccc4cc(C)c(C)cc4c3OC)[C@@H](O)[C@@H]2O)C1 ZINC000238731467 KK Annotated Anodyne CC[C@H](C)[C@H](O)C(=O)N(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000238731476 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@H]3c4ccc(OC)c(OC)c4O[C@H](c4ccc(OC)c(OC)c4)[C@@H]3OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000238731478 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)N(C)CC4 ZINC000238731479 KK Annotated Anodyne COC(=O)[C@H](C1=CC(=O)C=C(C/C=C(\C)CCC=C(C)C)C1=O)[C@@H](C(=O)OC)C1=CC(=O)C=C(C/C=C(\C)CCC=C(C)C)C1=O ZINC000238731507 KK Annotated Mild CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)C/C=C/C=C/C=C/C=C/C=C/C=C/C=C=Cc1ccc(O)cc1 ZINC000238731525 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@H](CO)OCC[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238731535 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238731540 KK Annotated Anodyne CC(=O)O[C@@H](/C=C/[C@@H](C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238731595 KK Annotated Reactive CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@@H](CC)[C@H]3N(CC5)C4)C[C@@H]1C2 ZINC000238731606 KK Annotated Anodyne CC(=O)Oc1ccc(CCC(=O)O[C@H]2CC[C@@]3(C)[C@H]4CC[C@@H]5C(=CC[C@H]6C(C)(C)[C@@H](OC(C)=O)CC[C@]56C)C[C@]4(C)CC[C@H]3C2(C)C)cc1OC(C)=O ZINC000238731627 KK Annotated Anodyne CC1=C[C@@H](c2cc(-c3oc4cc(O)ccc4c(=O)c3O)ccc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238731635 KK Annotated Anodyne C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000238731650 KK Annotated Reactive CC1=C[C@@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2cccc(O)c2O)C1 ZINC000238731665 KK Annotated Clean C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)C[C@H](OC(C)=O)[C@@]24C)C[C@]13CCC(=O)OCC ZINC000238731695 KK Annotated Mild CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)[C@]46CCN7CCC[C@@]8(CC[C@]4(N5)[C@@H](C(=O)OC)C8)[C@@H]76)C1)[C@H]32 ZINC000238731722 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(c(CC(=O)O)c4cc(C)c(cc5[nH]c(cc1n2)c(C)c5CC)n4)[C@@H](CCC(=O)OCC)[C@@H]3C ZINC000238731794 KK Annotated Bother CCCCCCCCCCCCCCCc1ccc([C@H](C)CCCCCCCCCCCCCc2cccc(OC)c2OC)c(OC)c1OC ZINC000238731806 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)C(=O)c1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000238731823 KK Annotated Anodyne C=C(c1ccccc1)[C@]12C(=O)C3=C(OC(C)(C)CC3)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000238731854 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C\C=C1\C=C(/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(=O)O1 ZINC000238731919 KK Annotated Bother CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)C)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238731939 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@]12C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O)C(=C)C ZINC000238731960 KK Annotated Mild C[C@@H]([C@H](C)Cc1ccc(O)cc1)[C@H](c1ccc(O)cc1)c1c(O)cc(O)c(C(=O)CCc2ccc3c(c2)OCO3)c1O ZINC000238732000 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC(=O)OC/C=C(/CO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238732029 KK Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCC1=CC[C@]2(CC1)C(=O)[C@@]13CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]1CC[C@@H]2C3 ZINC000238732066 KK Annotated Mild CN[C@H]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(OC)cc2CC[C@H]1NC)O3 ZINC000238732081 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](O)[C@@]3(C)C(=C1CC(C)(C)C[C@@H]2O)C=C[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)[C@H](O)CC[C@]21C ZINC000238732113 KK Annotated Anodyne CC1(C)C=Cc2c(O)cc(CC(=O)[C@H]3C(c4c(O)cccc4O)=C[C@@]4(C)C[C@@H]3c3ccc(O)cc3O4)cc2O1 ZINC000238732140 KK Annotated Anodyne C=C[C@]1(COC(=O)CC(=O)OC[C@@]2(C=C)CC[C@H]3C(=CC[C@@H]4C(C)(C)CCC[C@@]34C)C2)CC[C@H]2C(=CC[C@@H]3C(C)(C)CCC[C@@]23C)C1 ZINC000238732160 KK Annotated Mild CC1=C[C@@H]2c3c(c(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@H](c3cc(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@H]2C(C)(C)C1 ZINC000238732161 KK Annotated Clean CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)c(Oc4cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c4)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000238732179 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)C(OC)=C(C(=O)c1ccccc1)C2=O ZINC000238732180 KK Annotated Mild Cc1cc2ncn([C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2cc1C ZINC000238732182 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@]2(C[C@@H](/C=C/c3c(O)cc(CC=C(C)C)c(O)c3C=O)C=C[C@@H]2C)NC1=O ZINC000238732228 KK Annotated Mild Cc1ccc(C(=O)c2c(-c3ccc(O)cc3)oc3ccc(CCC(=O)c4ccc(O)cc4O)cc23)c(O)c1 ZINC000238732310 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3N[C@@H]3C=CC=C[C@H]43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000238732394 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)C2 ZINC000238732418 KK Annotated Anodyne C[C@H]1O[C@H](OCc2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccc([N+](=O)[O-])cc2)[C@H]1OCc1ccc([N+](=O)[O-])cc1 ZINC000238732453 KK Annotated Bother O=C(OC[C@H](OC(=O)c1ccccc1)[C@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000238732486 KK Annotated Bother CCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O ZINC000238732498 KK Annotated Reactive C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5C=O)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000238732518 KK Annotated Bother CCCC(=O)OC[C@]12CCC(=C(C)C)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)c1cccnc1 ZINC000238732545 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC/C=C/c1cc(OC)c(OC/C=C(\C)CCC=C(C)C)c(OC)c1 ZINC000238732547 KK Annotated Anodyne C=C(C[C@](C)(CC(C)(C)c1cc2cc(OC)c(OC)cc2o1)C1=CC2=C=C(OC)C(OC)=C[C@@H]2O1)c1cc2cc(OC)c(OC)cc2o1 ZINC000238732612 KK Annotated Mild COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC/C(C)=C/COC(=O)CCC(=O)OC[C@@]34CC[C@@H](C)[C@](C)(CC/C(C)=C/COC(C)=O)[C@H]3CCC=C4C)[C@H]1CCC=C2C ZINC000238732614 KK Annotated Anodyne C/C(OC(C)(C)C)=C(\C(=O)OC(C)(C)C)[C@H]1C[C@H]2N(CC[C@@]23C(=O)Nc2cccc(O)c23)C[C@@H]1C(C)(C)C(C)(C)C ZINC000238732622 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCCCC[C@H](O)C#C ZINC000238732638 KK Annotated Mild C=C1[C@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000238732642 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000238732692 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(O)=C3C(C)(C)CCC[C@@]34C)O1)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238732729 KK Annotated Mild CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O ZINC000238732777 KK Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H]1C ZINC000238732797 KK Annotated Mild CC(C)=CCC/C(C)=C/CC1=CC(=O)C=C(c2cc3cc(O)cc(C/C=C(\C)CCC=C(C)C)c3o2)C1=O ZINC000238732799 KK Annotated Mild O=C1C[C@H]2c3c(cc(O)c([C@H]4c5c(O)cc6c(c5O[C@H](c5ccc(O)cc5)[C@@H]4O)[C@H]4c5c(O)cc(O)cc5O[C@@](c5ccc(O)cc5)(O6)[C@@H]4O)c3O[C@H](c3ccc(O)cc3)[C@@H]2O)O1 ZINC000238732844 KK Annotated Anodyne CCCCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C ZINC000238732855 KK Annotated Reactive CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc([C@@H](c6ccc(O)c(OC)c6)[C@@H](CO)c6ccc(O)c(OC)c6)c(OC)cc5c4CCN(C2)[C@@H]13 ZINC000238732918 KK Annotated Anodyne CCCC(=O)O[C@@H]1C[C@]2(C)[C@H](OC(=O)CCC)C[C@@]3(C)[C@@H](C=C(C)[C@@H](O)[C@@H](OC(C)=O)[C@@H]3OC(=O)CCC)[C@@H]2[C@@H]1C(C)C ZINC000238732927 KK Annotated Anodyne CCCC1=C(O)NC2=Cc3c(c(C)c4n3CCC3=C(C)C(/C=C5\NC(=O)C(CCC(=O)O)=C5C)=NC3=C4)C=C[C@@]21C ZINC000238733032 KK Annotated Anodyne C=C1[C@H](O)C[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)[C@@H](OC(=O)/C=C/C=C/[C@H](C)CC)CC[C@@]32C)[C@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000238733038 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc(O)c([C@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238733068 KK Annotated Anodyne Cc1cc2c([nH]c3c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)OC(C)(C)C=C6)c(O)ccc32)c2c1OC(C)(C)C=C2 ZINC000238733093 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)/C=C\C=C/CCCCC)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238733130 KK Annotated Mild C=C1CCCC(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/COC(=O)CC(=O)OC/C=C(\C)CC/C=C(\C)CC[C@@H]1C(=C)CCCC1(C)C ZINC000238733146 KK Annotated Mild COc1cc2c(cc1Oc1c(OC)ccc(C[C@H]3c4cc(OC)c5c(c4CCN3C)OCO5)c1OC)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000238733184 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@H]2c1cc2c(cc1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238733202 KK Annotated Anodyne CS[C@@]1([C@]2(SC)Nc3ccc(Br)cc3C2=O)Nc2cc(Br)ccc2C1=O ZINC000238733223 KK Annotated Anodyne Oc1ccc(/C=C2/c3cc(O)cc4c3[C@@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c32)[C@@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238733290 KK Annotated Anodyne C/C(=C\COC(=O)/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000238733352 KK Annotated Anodyne COC1=C(CC=C(C)C)C(=O)[C@]2(C(=O)c3ccccc3)C(=O)[C@@]1(CC=C(C)C)C[C@@H](CC=C(C)C)C2(C)C ZINC000238733370 KK Annotated Mild COc1cc2c(cc1O)[C@H](Cc1ccc(OC3=C[C@@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(O)c54)CCN3C)cc1)N(C)CC2 ZINC000238733391 KK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@@]2(C)[C@@H]1CCC(=O)[C@H]1CC=C(CC[C@@H]2C(=C)CC[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]32C)CC1 ZINC000238733433 KK Annotated Mild CCCCCCC[C@H](C)C[C@H](C/C=C/CCC(=O)N[C@H](COC)[C@@H](O)C1=C[C@H](C)[C@@H](O)C(C)(C)C1=O)OC ZINC000238733473 KK Annotated Mild Oc1ccc([C@H]2c3cc(O)ccc3[C@@H]3c4c(O)cc(O)cc4[C@H]2c2c(O)cc(O)c4c2[C@H]3[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000238733538 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1c(c(O)cc(O)c1[C@H]1C=C(C)C[C@@H](c3ccc(O)cc3O)[C@@H]1C(=O)c1ccc(O)cc1O)C2=O ZINC000238733585 KK Annotated Anodyne O=C1c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]2c3c1c(O)cc(O)c3[C@H](c1cc(O)cc(O)c1)[C@H]2c1ccc(O)cc1 ZINC000238733615 KK Annotated Anodyne CO[C@@H]1O[C@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)C[C@]12[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000238733624 KK Annotated Reactive Oc1cc(O)cc(C/C(Cl)=C\Cc2cc(Oc3c(O)cc(CC/C(Cl)=C\CCc4cc(O)c(Cl)cc4O)cc3O)c(Cl)cc2O)c1 ZINC000238733632 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4[nH]c5c(c4c3)CCN3C[C@H](CC)[C@H](O)[C@@H](CC5)C3)C[C@@H]1[C@@H]2C(=O)OC ZINC000238733640 KK Annotated Anodyne C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@H]2C(=O)OC ZINC000238733642 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@]1(C)Oc1cc(O)ccc12 ZINC000238733643 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@H](C)[C@@H](OC(=O)CCCCCCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@H]21)[C@@H](OCC)O[C@H]3OC(C)=O ZINC000238733669 KK Annotated Mild CC(C)C[C@@H]1OC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000238733684 KK Annotated Anodyne CC(C)=CC[C@]12C[C@@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238733689 KK Annotated Reactive CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238733755 KK Annotated Mild CC(C)=CC[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)(C)O)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238733800 KK Annotated Anodyne C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)c1cccc(Oc2cc([C@@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1O ZINC000238733840 KK Annotated Mild CCCCC[C@@H](O)C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@H](O)CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O)OC(C)=O ZINC000238733848 KK Annotated Anodyne CC(C)(O)C[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]23C)O1 ZINC000238733877 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@]1(CC=C(C)C)C(OC)=C(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C1OC)C(=C)C ZINC000238733881 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)c1cc2c(s1)C(=O)c1ccsc1C2=O ZINC000238733935 KK Annotated Clean CCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C ZINC000238733949 KK Annotated Reactive CC#C/C=C\C=C\C[C@@H](O)/C(Br)=C(C)/C=C/C=C\C=C(\C)[C@H](O)C(C)(C)C(=O)N[C@H](C)CC[C@H](C)O ZINC000238733988 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)CC[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238734007 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cc2c(oc3c(OC)c(CCCCCCC[C@H](O)CCCCCCC)ccc32)c(OC)c1OC ZINC000238734029 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000238734040 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H](c3ccc(O)cc3)[C@@H](C)[C@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000238734063 KK Annotated Anodyne C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238734105 KK Annotated Anodyne CCCCCCCCCCCCC/C=C\C(=O)N(O)CCCC[C@@](OC(=O)CNC(=O)[C@H]1COC(c2ccccc2O)=N1)(C(C)C)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238734112 KK Annotated Mild C/C=C1C(=C\c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)[C@H](C)[C@H]3CCC(=O)OC)c(CCC(=O)OC)c2C)\NC(=O)[C@@H]\1C ZINC000238734140 KK Annotated Anodyne CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000238734164 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@](C)(O)CCC=C(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000238734173 KK Annotated Mild CC(C)C1=CC2=C(O)C(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(C2=C3C(=C(O)C(=O)[C@H]4C(C)(C)CCC[C@]34C)C=C(C(C)C)C2=O)C1=O ZINC000238734257 KK Annotated Mild COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]12C ZINC000238734334 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@]2(OC(=O)c3ccc(OC)c(OC)c3)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000238734364 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000238734371 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]12C[C@H](C/C=C(\C)CCC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000238734405 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@](C)(O)CC[C@H](O)C(C)(C)O)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000238734411 KK Annotated Anodyne CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)[C@@H](C[C@]3(C)OC3(C)C)OC(C)=O)[C@@H]21 ZINC000238734423 KK Annotated Mild COc1ccc(CCC(=O)c2c(OC)cc(O)c([C@@H](c3ccc(O)cc3)[C@H](C)[C@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000238734438 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238734452 KK Annotated Mild COc1cc2c(cc1O)CCN(C)[C@@H]2Cc1ccc(OC2=C[C@]3(C=CC2=O)C[C@@H]2c4c(cc(OC)c(O)c43)CCN2C)cc1 ZINC000238734455 KK Annotated Mild CCCCCCC[C@H]1C[C@H]2CCc3c(C(=O)OCCCCCCC[C@H]4C[C@H]5CC[C@@H]6C[C@H](C)N=C(N4O)N65)c(C)nc([n+]32)N1 ZINC000238734524 KK Annotated Mild COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]12C ZINC000238734537 KK Annotated Anodyne CC1(C)[C@H](OC(=O)/C=C/c2ccc(O)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000238734580 KK Annotated Anodyne COc1cc2cc(O)c3c(=O)cc(C)oc3c2c(OC)c1-c1c(OC)cc(OC)c2c(O)c3c(=O)cc(C)oc3cc12 ZINC000238734585 KK Annotated Bother C[C@H]1NCCCC/C=C\CC[C@@H]2CN3CCCC/C=C\CC[C@@]14O[C@H]4[C@@H](c1nccc4c1[nH]c1ccccc14)[C@@H]2CC3 ZINC000238734590 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H](CCCCN2Cc4c(cc(O)c5c4O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@H](O)C5)C2=O)C(=O)O)C3=O)C[C@H]1O ZINC000238734594 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c3c(C)cc(OC(C)=O)c4c(=O)c5c(OC(C)=O)c([C@H]6CCCCN6)c(O)c6c7c(O)c([C@H]8CCCCN8)c(OC(C)=O)c8c(=O)c1c2c(c87)c(c43)c56 ZINC000238734677 KK Annotated Clean CC(C)=CCC1=C2O[C@H](C(C)(C)OO)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C ZINC000238734695 KK Annotated Reactive C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]2(C[C@@H](/C=C/c3c(O)cc(CC=C(C)C)c(O)c3C=O)C=C[C@@H]2C)NC1=O ZINC000238734720 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@@]5(C)[C@@H]6Cc7c(O)ccc(OS(=O)(=O)O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000238734782 KK Annotated Anodyne O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23CCNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000238734809 KK Annotated Reactive CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000238734824 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000238734899 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c3c(cc(OC)c1OC)CN(C)[C@@H](C2)C3 ZINC000238734912 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)O[C@H]1CC[C@H]1O[C@]1(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238734919 KK Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)C[C@@H]2[C@H](/C=C(\C)C(=O)[C@]3(O)C[C@@H](C)[C@@H](OC(=O)c4ccccc4)[C@H]3[C@@H]1OC(C)=O)C2(C)C ZINC000238734921 KK Annotated Mild Oc1ccc([C@H]2Oc3cc4c(c(O)c3[C@@H]2c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)[C@@H]2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]42)cc1 ZINC000238734968 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C/C=C(\C)CCC=C(C)C)C[C@@H](C[C@H]2C1(C)C)C(C)(C)[C@](C(=O)C(C)C)(C4=O)C3=O ZINC000238734972 KK Annotated Mild CC[C@@H]1c2cc3[nH]c4c(c5nc(cc6[nH]c(cc(n2)[C@H]1C)c(C(C)=O)c6C)[C@@H](C)[C@H]5CCC(=O)OC)c(=O)oc(=O)c4c3C ZINC000238734974 KK Annotated Bother C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@]3(OC(C)=O)C[C@@H](C)[C@@H](OC(=O)c4ccccc4)[C@@H]3[C@@H]1OC(C)=O)C2(C)C ZINC000238734976 KK Annotated Mild C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000238735001 KK Annotated Anodyne CC(=O)Oc1cc2c(c3ccccc13)OC(C)(C)C=C2c1c2c(c3ccccc3c1OC(C)=O)OC(C)(C)C=C2 ZINC000238735180 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc4c(c5c3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@@H](O3)c2ccc(O)c(c2)-c2cc(ccc2O)/C=C/5)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238735194 KK Annotated Anodyne COc1cc(C=O)ccc1Oc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1 ZINC000238735240 KK Annotated Anodyne NCCCCCCCCCCCCCCCC[n+]1cccc(CCCCCCCCCCCCc2ccc[n+](CCCCCCCCCCCCCCNCCCNCCCN)c2)c1 ZINC000238735267 KK Annotated Anodyne CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3)c2O)[C@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238735272 KK Annotated Mild CC1=CCC[C@@H]2[C@@](C)(C/C=C3\CC(=O)N(/C=C(\CC[C@@]4(C)[C@H](C)CC[C@@]5(C)C(C)=CCC[C@H]45)CC(=O)O)C3=O)[C@H](C)CC[C@@]12C ZINC000238735332 KK Annotated Anodyne C[C@H]1CC[C@@H]2OC(C)(C)[C@]3(O)CC[C@]2(O3)[C@@]1(C)CC[C@]1(C)[C@@H](C)CC[C@@H]2O[C@]3(O)CC[C@@]21OC3(C)C ZINC000238735371 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000238735400 KK Annotated Mild C=C(C)[C@H]1CC=C(CCC[C@@H](C)CO[C@H]2OC[C@H](OC(=O)/C(C)=C/CCC3=CC[C@@H](C(=C)C)C[C@@H]3O)[C@@H](O)[C@@H]2O)CC1 ZINC000238735463 KK Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1C(C)=CC[C@H]2[C@H](O)C(OC)=CC(=O)[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000238735464 KK Annotated Mild CC(C)(O)C1=CC2=C[C@H]3Oc4c(C(C)(C)O)cc5c(c4O[C@]34C(C)(C)CCC[C@]4(C)C2=C(O)C1=O)CC1=CCCC(C)(C)[C@@H]1C[C@H]5O ZINC000238735494 KK Annotated Mild CCCCCCCCCCCCc1cc(OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c2ccc(OC)c(C)c2)c(C)cc1OC ZINC000238735509 KK Annotated Mild CC(C)=CC[C@]1(CC(CCC(C)C)=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@H](C)C2=O ZINC000238735556 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000238735610 KK Annotated Anodyne COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2ccc3c(Cc4ccc(O)cc4)c(O)ccc3c12 ZINC000238735621 KK Annotated Bother C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](OC(C)=O)[C@H]3[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238735625 KK Annotated Mild COC(=O)c1cc2c(O)cccc2c2oc([C@]3(C)C[C@@H]4c5c(c(O)c6ccccc6c5O3)C(=O)O[C@H]4C(C)(C)O)cc12 ZINC000238735651 KK Annotated Anodyne COc1cc(C=O)ccc1Oc1ccc(C[C@H]2c3c(cc(O)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1 ZINC000238735666 KK Annotated Anodyne CC(C)=C1CC[C@]2(COC(=O)Cc3ccccc3)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@H]12 ZINC000238735669 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C=C/C=C2/C=C(/C=C/[C@@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000238735694 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4[C@H](c5ccc(O)cc5)O[C@H](c5ccc(O)cc5)[C@H]4c4ccc(O)cc4O)c3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2cccc(O)c2)O3)cc1 ZINC000238735718 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@@H](c4cc(O)cc(O)c4)[C@@H]3C(=O)c3ccc4c(c3O)C=CC(C)(C)O4)c(O)cc(O)c2c1=O ZINC000238735738 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(O)c(Oc5cc(O)c(O)c(O)c5)c4)c(O)c3)c2)c(O)c1 ZINC000238735747 KK Annotated Clean C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)c1oc3c(O)c(O)ccc3c(=O)c1C2=O ZINC000238735748 KK Annotated Mild CC(=O)O[C@H]1[C@H](C)O[C@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@@H](C)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238735787 KK Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(C[C@H]4C(=O)OC[C@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O ZINC000238735795 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)[C@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C)OCO3 ZINC000238735840 KK Annotated Anodyne CC1=C(C#C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000238735843 KK Annotated Mild COc1cc2c(c(O)c1OC)CCN(C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(OC)c4c2[C@H](C3)N(C)CC4)cc1 ZINC000238735865 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2O[C@@H](C(C)(C)O)C1 ZINC000238735920 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1c2cc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)oc2[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000238735968 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000238736022 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C[C@H]3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@@]23CC[C@H]1C ZINC000238736059 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@]1(OC3=C(C(C)C)C(=O)C(O)=C4C3=C1C(=O)[C@H]1C(C)(C)CCC[C@]41C)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238736064 KK Annotated Mild C[C@@H]1CC[C@]23CC[C@]4(C)C(=C2[C@@]1(C)OC3=O)CC[C@@H]1[C@@]2(C)C[C@@H]3OC(C)(C)O[C@@H]3C(C)(C)[C@@H]2CC[C@]14C ZINC000238736065 KK Annotated Anodyne C=C1CC[C@H](Br)[C@@]2(C)CC[C@H]3O[C@@]3(C)CC[C@@H](C(C)(C)O)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000238736073 KK Annotated Reactive Oc1ccc([C@@H]2Oc3cc(/C=C/c4ccc(O)cc4O)cc(O)c3[C@H]2c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238736084 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000238736131 KK Annotated Anodyne CC(=O)c1cc(Br)cc2c1N(C(=O)CBr)c1ccc(Br)cc1C=C2 ZINC000238736150 KK Annotated Reactive C1=C[C@]23C[C@]45CN6CCCC/C=C\CC[C@@](C=C(c7nccc8c7[nH]c7ccccc78)[C@H]4CC6)(O2)[C@@H]5N3CCCC1 ZINC000238736167 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)[C@](C)(O)C[C@]2(O)c2c(oc4cc(O)c(O)cc4c2=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000238736173 KK Annotated Clean CC[C@H](C)CCCCCCCCCCC(=O)O[C@H]1CCCC[C@@H]1N1C(=O)c2cc3cc4c(cc3cc2C1=O)CCCC4 ZINC000238736226 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCCCCC[C@@H](O)C#C ZINC000238736257 KK Annotated Mild C=CC1=C(C)/C(=C\c2[nH]c(/C=C3\NC(=O)C(CCC(=O)O)=C3C)c(C)c2C=C)N=C1/C=C1\NC(=O)C(CCC(=O)O)=C1C ZINC000238736272 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC(C)=O)cc(OC(C)=O)c2c1O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)C2 ZINC000238736285 KK Annotated Anodyne C=CC1=C(C)/C(=C/C2=N/C(=C3/C[C@H](C)c4c3[nH]c(C[C@H]3N[C@@H](C=O)[C@@H](C)[C@@H]3CC)c4C)[C@H](CCC(=O)O)[C@H]2C)NC1=O ZINC000238736288 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1cccc(O)c1)=C2O ZINC000238736297 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c([C@H]2Oc3cc(OC)ccc3[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc(OC)c(OC)c1OC ZINC000238736342 KK Annotated Anodyne CCCCCC(=O)Cc1cc(OC(=O)c2c(O)cc(O)cc2CC(=O)CCCCC)cc(O)c1C(=O)OCc1ccccc1 ZINC000238736349 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@@]32C=CC(=O)OC(C)(C)[C@H]12 ZINC000238736478 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)=C(C)C)[C@H]2[C@@H](CC[C@@H]3C[C@@H](N(C)C)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000238736572 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(O)CC(OC(C)=O)=C(C)[C@H]([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000238736581 KK Annotated Mild COc1cc(OC(C)=O)c(Oc2cc(OC)c(-c3c(OC)cc(OC)cc3OC)c(OC)c2)c(OC(C)=O)c1 ZINC000238736606 KK Annotated Anodyne COC(=O)/C(=C1/OC(=O)C(c2cc3c4c(c(OC)cc(C5=C(OC)/C(=C(\C(=O)OC)c6ccc(OC)cc6)OC5=O)c4c2)OC3=O)=C1OC)c1ccc(OC)cc1 ZINC000238736615 KK Annotated Anodyne COc1c(OC)c(-c2c[nH]c3ccc(O)cc23)c(OC)c(OC)c1-c1c[nH]c2cc(CC=C(C)C)ccc12 ZINC000238736656 KK Annotated Anodyne COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(COC(=O)C[C@@]1(C)CC[C@]3(O1)C(C)=CC[C@@H]1C(C)(C)CCC[C@]13C)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000238736668 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(Oc6cccc7c6NC6=C(C(=O)OC)C[C@]8(CC)C=CCN9CC[C@@]67[C@@H]98)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238736719 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(-c6ccc7c(c6O)NC6=C(C(=O)OC)C[C@]8(CC)CCCN9CC[C@@]67[C@@H]98)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238736752 KK Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(COC(=O)CC(=O)OCC3=CCC[C@@H]4[C@@](C)(CCc5ccoc5)[C@H](C)CC[C@@]34C)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 ZINC000238736757 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2COC(=O)CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]12C ZINC000238736766 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2COC(=O)CC(=O)OCC1=CCC[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCc1ccoc1 ZINC000238736773 KK Annotated Anodyne C=C1[C@H](OC(=O)CCCCCCCCCCC)[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238736778 KK Annotated Mild C[C@@H]1CC[C@@]2(C)C(COC(=O)CC(=O)OCC3=CCC[C@@H]4[C@@](C)(CCc5ccoc5)[C@H](C)CC[C@@]34C)=CCC[C@@H]2[C@@]1(C)CCC1=CCOC1=O ZINC000238736787 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@]4(C)CO)CC3=CC[C@]12C)N(C)C ZINC000238736808 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O ZINC000238736814 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000238736816 KK Annotated Mild C/C=C\C[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000238736861 KK Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]43C)[C@]1(C)C=O ZINC000238736893 KK Annotated Mild C/C=C/[C@H](C)/C=C(/C)C/C=C/CCc1nc(-c2nc([C@H](C[C@@H]3CCC[C@@](C)(OCCCC)O3)OC)co2)co1 ZINC000238736961 KK Annotated Anodyne Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000238737083 KK Annotated Clean COC(=O)[C@@]12C[C@H](O)C(C)(C)CC1=C1C=C[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@@H]2O ZINC000238737116 KK Annotated Anodyne C[C@@H](Cc1ccc(O)cc1)[C@@H](C)[C@H](c1ccc(O)cc1)c1c(O)cc(O)c(C(=O)CCc2ccc3c(c2)OCO3)c1O ZINC000238737136 KK Annotated Anodyne CNCCc1cc(OC)c(O)c2c1[C@H](OCCO)Cc1ccc(OC)c(c1)Oc1cccc(c1)C[C@H]1c3cc(c(OC)cc3CCN1C)O2 ZINC000238737150 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC/C(C)=C/COC(=O)CC(=O)O[C@H]3CC[C@@]4(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]4C3(C)C)C(C)=CC[C@@H]2C1(C)C ZINC000238737160 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)/C=C\c1ccccc1)[C@@H](C)[C@](C)(O)[C@@H]2OC(C)=O ZINC000238737163 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238737172 KK Annotated Anodyne C=CCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CCCCCCCCCCCCCCCC)O2 ZINC000238737197 KK Annotated Mild COc1cc2c(cc1O)CCc1c-2c(O)cc(OC)c1-c1c(OC)cc(O)c2c1CCc1cc(O)c(OC)cc1-2 ZINC000238737205 KK Annotated Anodyne CCCCCCCCCCCC[C@@H](O)CCCC[C@H](CC(=O)O[C@@H](CO)COC(C)=O)OC(C)=O ZINC000238737206 KK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1c1coc([C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C/C2=C/C)c1 ZINC000238737221 KK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c(C[C@]2(C)C(=O)[C@](C)(Cc3c(O)c(C)c(OC)c(C(=O)CC(C)C)c3O)C(=O)C(C(=O)CC(C)C)=C2O)c(O)c(C)c1OC ZINC000238737238 KK Annotated Mild CC(=O)Oc1cc(C)c(OC(C)=O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]4CC[C@@]5(OC(C)=O)OC(C)(C)[C@]4(CC[C@H]23)O5)c1 ZINC000238737269 KK Annotated Anodyne COc1cc2c(cc1Oc1c3c(cc(OC)c1OC)CCN(C)C3)[C@H](Cc1ccc(Oc3cc(C=O)ccc3O)cc1)N(C)CC2 ZINC000238737282 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000238737290 KK Annotated Anodyne COc1ccc(C[C@@]2(OC)Oc3cc(OC)c([C@@H]4C(=O)c5c(OC)cc(OC)cc5O[C@H]4c4ccc(OC)cc4)c(OC)c3C2=O)cc1 ZINC000238737355 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@@]4(O)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@H]32)C1(C)C ZINC000238737386 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1[C@]2(C)C[C@@]3(OC(C)=O)[C@](C)(C4=C(C[C@@]13OC(C)=O)C1=C(O)C(=O)O[C@@H](c3ccoc3)[C@]1(C)CC4)[C@H]2CC(=O)OC ZINC000238737442 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)CC[C@H]3C[C@H](CC)CN(CC5)C3)C[C@H]1[C@H]2C(=O)OC ZINC000238737463 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(c(C)cc3c1[nH]c1c([C@@H]4CC(C)(C)Oc5c(C)cc6c([nH]c7ccccc76)c54)cccc13)O2 ZINC000238737465 KK Annotated Mild COC1=C[C@H]2[C@@H]3CCN(C)[C@H]2Cc2ccc(OC)c(c2)Oc2ccc(cc2)C[C@H]2c4c(c(OC)c5c(c4OC3=C1OC)OCO5)CCN2C ZINC000238737475 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc6c(c5C)O[C@@H](c5cc(OC)c(O)c(OC)c5)[C@H](COC(C)=O)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238737506 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)[C@@H](OC(=O)/C(C)=C\C)[C@@]2(CO2)[C@H]1C)OCO3 ZINC000238737509 KK Annotated Anodyne C=C[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000238737518 KK Annotated Mild C[C@H]([C@@H](C[C@]1(C)OC1(C)C)OC(=O)c1cccnc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3OC(=O)c1cccnc1 ZINC000238737568 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@@H]1OC(=O)c1ccccc1)C2(C)C ZINC000238737598 KK Annotated Mild COc1cc2c(cc1Oc1c(O)c(OC)cc3c1CN(C)CC3)[C@H](Cc1ccc(Oc3cc(C=O)ccc3O)cc1)N(C)CC2 ZINC000238737653 KK Annotated Anodyne C=C(CC[C@@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]12C)[C@H]1CC=C(CC[C@@H]2C(=C)CC[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)CC1 ZINC000238737654 KK Annotated Mild CC(=O)OC[C@]1(O)CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C[C@@H](O)C1=CC(=O)O[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000238737655 KK Annotated Anodyne C=C/C(=C/C[C@@]1(C)[C@@H](C)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O)CO ZINC000238737676 KK Annotated Mild COC1=CC2=C3[C@@H](Cc4cc(OC)c(O)c(c4)Oc4ccc(cc4)C[C@H]4c5cc6c(cc5CCN4C)OC[C@@]3(O6)C1=O)N(C)CC2 ZINC000238737719 KK Annotated Mild CC[C@]12C=C([C@@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@]56CCN3[C@H]64)CN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000238737738 KK Annotated Anodyne C=C1CC[C@H]2[C@]3(C)CC[C@H](OC(=O)/C=C/C=C/[C@H](C)CC)C(C)(C)O[C@@H]3CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000238737741 KK Annotated Mild CCCCCCCCC[C@H]1C[C@H]2CC[C@@H]3[C@H](C(=O)O[C@@H](C)CCCCCCC[C@H]4C[C@H]5CC[C@H]6C[C@@H](C)NC(=N4)N65)[C@H](C)N=C(N1)N23 ZINC000238737764 KK Annotated Mild C[C@H]([C@@H](C[C@]1(C)OC1(C)C)OC(=O)c1cccnc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000238737809 KK Annotated Mild CC(=O)Oc1cc(Oc2c(OC(C)=O)cc(OC(C)=O)cc2OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c(Cl)c2OC(C)=O)c1 ZINC000238737917 KK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@H]2c3cc(C(C)C)c(O)c(O)c3[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H]2O1 ZINC000238737942 KK Annotated Mild COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)NCC4)cc1OC ZINC000238737963 KK Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)CC[C@@H](O)[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC=C(C)C ZINC000238737978 KK Annotated Mild C=C(CCC=C(C)C)CC/C=C(/C)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@@H](c2ccc(OC)c(OC)c2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238738002 KK Annotated Mild C/C(=C\Cc1c(O)cc(/C=C/c2ccc(O)cc2O)cc1O)CCCC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)cc2O)cc1O ZINC000238738018 KK Annotated Anodyne CCCC/C=C/CCC[C@H](O)[C@H](CCCCCCCCCCCCCCCC/C=C/CC(=O)O)[C@H](CO)[C@H](C)O ZINC000238738026 KK Annotated Anodyne CCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@@H](NC(=O)[C@H]1COC(c2c(C)cccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238738067 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3)CC(C)=C[C@H]2c2c(O)cc(O)c3c(=O)c(CC=C(C)C)c(-c4ccc(O)cc4O)oc23)c1O ZINC000238738087 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238738095 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2cc(C[C@H]3OC3(C)C)ccc12)C(C)(C)O ZINC000238738107 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000238738164 KK Annotated Mild C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000238738171 KK Annotated Anodyne CC(=O)O[C@@]1(O)C[C@]2(C(=O)O)CC[C@]3(C)C(=C2CC1(C)C)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000238738216 KK Annotated Anodyne COc1c(OC)c2c(c(CCN(C)C)c1SC)SSc1c(OC)c(OC)c(SC)c(CCN(C)C)c1SS2 ZINC000238738230 KK Annotated Reactive COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@@H]2OC(=O)c1ccccc1 ZINC000238738241 KK Annotated Anodyne COc1ccc2c(c1OC)[C@H]([C@@H](C=O)[C@@H]1c3c(ccc(OC)c3OC)-c3ccc4cc5c(cc4c3N1C)OCO5)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000238738257 KK Annotated Mild CCO[C@H]1c2cc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)oc2[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000238738268 KK Annotated Anodyne CCCCCc1cc(OC)c(O)c2c1C(=O)Oc1cc(O)c(C(=O)OCc3ccccc3)c(CCCCC)c1O2 ZINC000238738304 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000238738321 KK Annotated Clean CCCCCC/C=C\CCCCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238738323 KK Annotated Reactive C[C@H](CC(=O)c1c(O)cccc1O)[C@H]1c2c3c4c(c(O)cc(O)c4c(=O)cc-3oc3cccc(O)c23)[C@@H]1C ZINC000238738459 KK Annotated Bother CC(=O)O[C@H]1CC[C@@H]2[C@]3(C)CC[C@@]4(C(=O)O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000238738461 KK Annotated Anodyne CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@]31C[C@H]2C[C@]1(C)C1=C2[C@H](C)CC[C@@H]2[C@H](C(C)C)CC[C@@]2(C)C1 ZINC000238738470 KK Annotated Anodyne Oc1ccc(CCc2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238738487 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)OC1=C(C(=O)c1ccc(O)c(O)c1)C(=O)[C@@H](CC=C(C)C)C2=O ZINC000238738518 KK Annotated Mild COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@@H]3c4ccc(OC)c(OC)c4O[C@H](c4ccc(OC)c(OC)c4)[C@@H]3OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000238738539 KK Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)O)[C@H](O)C[C@H]1O ZINC000238738564 KK Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C)O)[C@H](O)C[C@H]1O ZINC000238738570 KK Annotated Anodyne CC(C)=CCC[C@@H](C)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000238738571 KK Annotated Mild CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C(=O)C[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000238738574 KK Annotated Anodyne CCCCOCCO[C@@H]1c2cc(C(C)C)c(OC(C)=O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@@]21C ZINC000238738607 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)(C)O)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238738614 KK Annotated Anodyne CCCC(=O)c1c(O)c(Cc2c(O)c(C(=O)CC)c(O)c(C)c2OC)c(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c1O ZINC000238738662 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[C@@]1(CCN2[C@H](c4ccoc4)CC[C@@H](C)[C@]2(O)C1)CS3 ZINC000238738668 KK Annotated Anodyne COc1cc2c(cc1O)C(C(=O)c1ccc(Oc3cc(C(=O)C4=NCCc5cc(OC)c(O)cc54)ccc3OC)cc1)=NCC2 ZINC000238738670 KK Annotated Anodyne CC(=O)N[C@H](C)[C@@H](CCCCCCCC(=O)CCCCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)[C@@H](C)NC(C)=O)OC(C)=O ZINC000238738673 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@]1(C)CC[C@@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)O1 ZINC000238738683 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2cc(O)cc(O)c2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000238738704 KK Annotated Anodyne CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O[C@@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)c(C)c(CC=C(C)C)c2O1 ZINC000238738711 KK Annotated Anodyne CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000238738724 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c3c2c(c1-c1c(C)cc2c(C(C)C)c(O)c(O)c4c2c1O[C@@H]4O)O[C@@H]3O ZINC000238738733 KK Annotated Clean CC(C)=C/C=C/[C@@]1(C)CCc2c(O)c(C(=O)O[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000238738735 KK Annotated Anodyne COc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2c(OC)cc(O)cc2[C@@H]2COc3cc(O)ccc3C2)c(O)c1O ZINC000238738757 KK Annotated Clean CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238738763 KK Annotated Mild C=C[C@@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)[C@H](OC(C)=O)[C@H](OC(=O)/C(C)=C\C)C[C@@]12COC(C)=O ZINC000238738794 KK Annotated Mild CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c(O)c([C@H]2C=C3CCC[C@@H](C)[C@]3(C)[C@H]3[C@@H]2C3(C)C)c1O ZINC000238738797 KK Annotated Mild O=C1CC[C@@H]2O[C@@]34C=C(c5nccc6c5[nH]c5ccccc56)[C@H]5CCN(CCCC/C=C\CC3)C[C@]53C[C@@H](CC1)N2[C@@H]34 ZINC000238738846 KK Annotated Anodyne C=C(CO)OC(=O)[C@@H]1[C@H](OC(=O)/C(=C\CC/C(=C/CC/C(C)=C\COC(C)=O)COC(C)=O)CCC(=C)C(C)C)/C(C=O)=C/CC/C(C)=C/[C@@H]2OC(=O)C(=C)[C@@H]12 ZINC000238738875 KK Annotated Reactive COc1ccc(C[C@]2(OC)Oc3cc(OC)c([C@@H]4C(=O)c5c(OC)cc(OC)cc5O[C@H]4c4ccc(OC)cc4)c(OC)c3C2=O)cc1 ZINC000238738885 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000238738907 KK Annotated Mild CCCCCCCCCCCCCCCc1ccc([C@H](CCCCCCC)CCCCCCCc2cccc(OC)c2OC)c(OC)c1OC ZINC000238738929 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2Cc1cc(OS(=O)(=O)O)ccc1O ZINC000238738950 KK Annotated Mild CC(=O)O[C@H](C/C=C(\C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238738970 KK Annotated Reactive O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO1 ZINC000238739018 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4c(Oc5cc(O)c(O)c(Oc6cc(O)c(O)c(O)c6)c5)cc(O)c(O)c4O)c(O)c3)c(O)c2)c(O)c1 ZINC000238739023 KK Annotated Clean CC[C@H](C)[C@H](NC(=O)CC[C@H]1c2cc3[nH]c(cc4cc(C)c(cc5cc(C)c(cc(n2)C1(C)C)[nH]5)n4)c(C)c3CCC(=O)O)C(=O)O ZINC000238739026 KK Annotated Bother CC[C@]1(O)C[C@H]([C@H]2C[C@](O)(CC)[C@H](C(=O)OC)c3cc4c(cc32)C(=O)c2c(O)cccc2C4=O)c2cc3c(cc2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O ZINC000238739093 KK Annotated Clean CCc1oc([C@H](C)[C@H](O)[C@@H](C)[C@H](O)/C(C)=C/[C@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000238739107 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238739189 KK Annotated Reactive Oc1ccc([C@@H]2[C@H](c3cc(O)cc4c3[C@@H](c3ccc(O)cc3O)[C@H](c3ccc(O)cc3)O4)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238739195 KK Annotated Anodyne C/C(=C\CC[C@H](C)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](OC(=O)c1ccc(Br)cc1)CC3)COC(=O)c1ccc(Br)cc1 ZINC000238739275 KK Annotated Mild C[C@H](NC(=O)[C@@H](C[C@@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)c1nccs1 ZINC000238739305 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(-c2oc3cc(OC)ccc3c(=O)c2OC)cc(OC)c(OC)c1OC ZINC000238739307 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O)c([C@@H](c3ccc(O)cc3)[C@H](C)[C@@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000238739371 KK Annotated Anodyne CC(C)=CC[C@@]1(CC(CCC(C)C)=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000238739376 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000238739389 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)CC)[C@H](C)[C@]1(C)O ZINC000238739439 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@@H]1[C@H](OC(=O)[C@H](C)CC)C=C(C(=O)OC)C[C@H]1OC(=O)[C@H](C)CC ZINC000238739457 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(-c2ccc(CCCCCCC[C@H](O)CCCCCCC)c(OC)c2OC)cc(OC)c1OC ZINC000238739461 KK Annotated Mild COc1ccc(CCC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(=CC[C@@H]6C(C)(C)[C@@H](OC(C)=O)CC[C@@]65C)C[C@]4(C)CC[C@H]3C2(C)C)cc1OC ZINC000238739516 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)[C@H](OC(=O)c5ccc(O)cc5)[C@@H](O)[C@]43C)[C@@H]2C1 ZINC000238739554 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(CC=C(C)C)cc12)C(C)(C)O ZINC000238739585 KK Annotated Mild COc1cc(O)c(/C=C/C(C=O)=C\C[C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@@]42C)CO3)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000238739645 KK Annotated Reactive CC(C)=CC[C@@]1(C)C[C@@]23C[C@@](C)(CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000238739655 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)CC(C)=CC[C@@]12C ZINC000238739662 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238739691 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@H](C)[C@@H]5OC(C)=O)c2c1)[C@@H](OC(C)=O)[C@H](C)OC3 ZINC000238739699 KK Annotated Anodyne CCCCCCCC(=O)Cc1cc(OC)cc(OCc2ccccc2)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000238739739 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]1(C)C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000238739750 KK Annotated Mild CC(C)=CC[C@@]12Oc3cc4c(c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12)[C@H]1C=C(C)C[C@@H]2c3ccc(O)cc3O[C@@](c3ccc(O)cc3O)(O4)[C@@H]12 ZINC000238739759 KK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(C(CCCCC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c2O)c1O ZINC000238739797 KK Annotated Anodyne CC[C@@H](C)C(=O)N[C@H](C)C(=O)O[C@@H]1C/C=C/C=C/C=C/[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(/C)[C@H](O)[C@H]1C ZINC000238739862 KK Annotated Anodyne C/C(=C\C[C@@]12CCN(C)[C@@H]1Nc1ccccc12)COC(=O)/C(C)=C/C[C@@]12CCN(C)[C@@H]1Nc1ccccc12 ZINC000238739915 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(C)=O)[C@H]2c1c(OC(C)=O)cc2c(c1OC(C)=O)C[C@H](OC(C)=O)[C@@H](c1ccc(OC(C)=O)c(OC(C)=O)c1)O2 ZINC000238739923 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3[C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]3[C@@H]3c4ccc(O)cc4-c4c(O)cc(O)cc4[C@H]23)cc1 ZINC000238739973 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc(/C=C(\Oc4ccc(/C=C/C(=O)NCCc5ccc(O)cc5)cc4OC)C(=O)NCCc4ccc(O)cc4)cc3[C@@H]2C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000238739975 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C)C4=CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)C4=CC[C@H]3C2(C)C)ccc1O ZINC000238740008 KK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@]1(C)CC[C@@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)/C(=C\[C@H](O)C1=O)C2=O)C(=O)O ZINC000238740018 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O ZINC000238740030 KK Annotated Clean CCCCCC(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C)OCO3 ZINC000238740068 KK Annotated Anodyne COc1c(O)cc(O)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)OCc4ccccc4)c(O)c3)c(O)c2)c1C ZINC000238740088 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(C)CCc2c(C)c(OC(=O)CCCCCCCCCCCCC)c(C)c(C)c2O1 ZINC000238740113 KK Annotated Mild CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000238740117 KK Annotated Anodyne COc1ccc([C@H]2c3c(c4c(c5c3O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)[C@@H]5c3ccc(OC)cc3OC)O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)C4)O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238740129 KK Annotated Anodyne CO[C@@H]1CC(C)=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c2ccc(C)c(C)c2C)C(C)(C)C1 ZINC000238740161 KK Annotated Bother COC(=O)[C@@]12CCC(C)(C)C(=O)C1=C1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000238740185 KK Annotated Mild CC(=O)c1c(O)c(C)c(O)c(Oc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)CC(C)(C)C=C3)c1O ZINC000238740222 KK Annotated Mild CC(=O)O[C@H]1/C(=C\C[C@@H](OC(C)=O)/C(C)=C/CC/C(C)=C\COC(=O)c2ccccc2)C(=O)O[C@@H]1C=C(C)C ZINC000238740237 KK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC1=CC[C@@]2(CC1)C(=O)[C@@]13CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]1CC[C@@H]2C3 ZINC000238740339 KK Annotated Mild CC(=O)OC/C(C)=C/CC[C@](C)(O)[C@@H](O)CC/C(C)=C/CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO ZINC000238740356 KK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c([C@H](CCCCC(C)C)c2c(O)c3c(c(C(=O)C(C)C)c2O)OC(C)(C)CC3)c(O)c2c1OC(C)(C)CC2 ZINC000238740402 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(OC)c(c1)-c1cc(ccc1O)CC3=NCC2)N(C)CC4 ZINC000238740416 KK Annotated Anodyne COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)CC(C)C)c3O)c(O)c(C(=O)CC(C)C)c2O)c(O)c1C(=O)CC(C)C ZINC000238740544 KK Annotated Anodyne CCc1c[n+]2ccc3c([nH]c4cccc(OC)c43)c2cc1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C(=O)O)[C@H](C[C@H]53)[C@H]([C@H]24)[C@H]1O ZINC000238740594 KK Annotated Bother C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238740634 KK Annotated Anodyne CC1=C(C#C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000238740654 KK Annotated Mild COc1ccc([C@@H]2c3c(cc(OC)c4c3O[C@H](c3ccc(OC)c(OC)c3)[C@@H](OC(C)=O)C4)O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2OC(C)=O)c(OC)c1 ZINC000238740683 KK Annotated Anodyne c1cc2c(cc1C[C@H]1CO[C@@H](O[C@H]3OC[C@H](Cc4ccc5c(c4)OCO5)[C@H]3Cc3ccc4c(c3)OCO4)[C@@H]1Cc1ccc3c(c1)OCO3)OCO2 ZINC000238740723 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238740731 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238740738 KK Annotated Mild CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000238740742 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000238740767 KK Annotated Anodyne CC(=O)Oc1cc(C)c(OC(C)=O)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@H](OC(C)=O)C(C)(C)O3)O2)c1 ZINC000238740782 KK Annotated Anodyne CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000238740790 KK Annotated Anodyne CCCCCCCc1c2c(cc(O)c1C(=O)OCc1ccccc1)OC(=O)c1c(C)cc(OC)cc1O2 ZINC000238740800 KK Annotated Mild CC(C)C[C@H]1C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000238740802 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2O)[C@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C ZINC000238740806 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C(O)=C(CC=C(C)C)C2=O ZINC000238740838 KK Annotated Mild COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)/C(CC(C)C)=C/C(=O)O[C@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000238740840 KK Annotated Anodyne C/C=C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000238740857 KK Annotated Clean C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O ZINC000238740868 KK Annotated Reactive CC1=C[C@H]2c3c(O)cc(C=O)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000238740897 KK Annotated Anodyne CCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@H]1COC(c2c(C)cccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O ZINC000238740917 KK Annotated Mild C/C(=C\COC(=O)/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238740944 KK Annotated Anodyne CCCCC/C=C\C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238741011 KK Annotated Anodyne Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2cc(O)c(O)c(-c4c(O)cc(O)c5c4Oc4c(O)cc(O)c(Oc6cc(O)cc(O)c6)c4O5)c2O3)c1 ZINC000238741023 KK Annotated Clean CCCCC/C=C/C(C)=C\[C@@H]1C[C@H](C)C/C=C/CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238741025 KK Annotated Anodyne CCCCC/C=C\C(C)=C\[C@@H]1C[C@H](C)C/C=C/CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238741032 KK Annotated Anodyne CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238741045 KK Annotated Anodyne CCCC(=O)c1c(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c1O ZINC000238741071 KK Annotated Anodyne C/C=C(\C)Cc1cccc2c(C3=C(OC)C(=O)C(c4c(/C=C/C(C)C)[nH]c5c(C/C(C)=C/C)cccc45)=C(OC)C3=O)c[nH]c12 ZINC000238741123 KK Annotated Mild CC1(C)CCC[C@@]2(C)O[C@@H]3CC[C@@](C)([C@@H]4CC[C@@]5(C)[C@H]4CC[C@@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]54)[C@@]3(C)CC[C@H]12 ZINC000238741128 KK Annotated Anodyne CCCCC/C=C/C(C)=C/[C@@H]1C[C@@H](C)CCCCC[C@@H](O)[C@H](OC(N)=O)CC[C@H](C)C[C@@H](O)[C@H](C)C(=O)O1 ZINC000238741164 KK Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)[C@H]2[C@@H](OC(C)=O)[C@@H](C)C[C@]2(OC(C)=O)C(=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(=O)CCC ZINC000238741220 KK Annotated Mild C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1/C=C/C1=CCOC1=O ZINC000238741307 KK Annotated Mild CC(=O)O[C@@H](C)[C@@H]1c2cc3ccc(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)[C@@H]6[C@H](C)OC(C)=O)c(O)c3c(O)c2C(=O)C[C@]1(C)O ZINC000238741308 KK Annotated Anodyne C=CCc1cc(-c2cc(CC=C)cc([C@H]3C=C(C)CC[C@@H]3C(C)C)c2O)c(O)c([C@H]2C=C(C)CC[C@@H]2C(C)C)c1 ZINC000238741388 KK Annotated Mild CC1(C)O[C@@]23C=Cc4cc5ccoc5c(c4O2)OC[C@H]2O[C@@]4(C=Cc5cc6ccoc6c(c5O4)OC[C@H]1O3)OC2(C)C ZINC000238741390 KK Annotated Anodyne CC(C)=CCC1=C(O)[C@]2(C(=O)c3cccc(O)c3)C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)C2=O ZINC000238741392 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238741394 KK Annotated Anodyne COC(=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCC2=C3CC(C)(C)CC[C@]3(C(=O)OC)[C@H](OC(C)=O)C[C@]21C ZINC000238741407 KK Annotated Anodyne C[C@H](CCO)CCC[C@H]1CC[C@@H]([C@H](C)CCC[C@H](C)CC[C@H](C)CCC[C@@H](C)[C@H]2CC[C@@H](CCC[C@H](C)CCO)C2)C1 ZINC000238741436 KK Annotated Anodyne CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CC=C(C)C)[C@@](C(=O)CC(C)C)(C1=O)C2=O ZINC000238741504 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238741525 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@]1(OC3=C(C(C)C)C(=O)C(O)=C4C3=C1C(=O)[C@@H]1C(C)(C)CCC[C@]41C)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238741533 KK Annotated Mild CCN1CCc2cc(OC)c3cc2[C@@H]1Cc1ccc(cc1)Oc1c(O)c(OC)cc2c1[C@H](Cc1ccc(O)c(c1)O3)N(CC)CC2 ZINC000238741544 KK Annotated Anodyne CO/C(=C/C(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C[C@H](C)C(Cl)(Cl)Cl ZINC000238741556 KK Annotated Anodyne C=C(C)CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)/C(=C(/O)c3ccccc3)C(=O)[C@@]3(CC=C(C)C)C[C@]1(C)O[C@]32O ZINC000238741557 KK Annotated Mild COc1c(C)c(O)c(C[C@]2(C)C(=O)[C@@](C)(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)C(=O)C(C(=O)C(C)C)=C2O)c(O)c1C(=O)C(C)C ZINC000238741569 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@H]2c1cc2c(cc1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@H]2OC(C)=O ZINC000238741582 KK Annotated Anodyne Cc1cc2c([nH]c3ccc4c(c32)C=CC(C)(C)O4)c(-c2c(O)c(C)cc3[nH]c4c5c(ccc4c23)OC(C)(C)C=C5)c1O ZINC000238741588 KK Annotated Anodyne CC[C@@H](C)CC[C@H]1[C@@H](C)CC[C@H]2[C@@H](c3cccc(C(=O)Oc4ccccc4OC)c3OC)CCC[C@]12C ZINC000238741603 KK Annotated Anodyne CCCC(=O)O[C@@H]1C[C@]2(C)[C@H](OC(=O)CCC)C[C@]3(C)[C@@H](OC(=O)CCC)[C@H](O)[C@H](OC(C)=O)C(C)=C[C@H]3[C@@H]2[C@@H]1C(C)C ZINC000238741606 KK Annotated Anodyne COc1ccc([C@H]2c3c4c(c5c(c3O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)[C@@H](c2ccc(OC)cc2OC)[C@H](O)[C@@H](c2ccc(OC)c(OC)c2)O5)C[C@@H](O)[C@@H](c2ccc(OC)c(OC)c2)O4)c(OC)c1 ZINC000238741680 KK Annotated Anodyne Cc1cc2cc3[nH]c(cc4nc(cc5[nH]c(cc5C)cc1n2)C(C)(C)[C@H]4CCC(=O)N[C@@H](CC(C)C)C(=O)O)c(CCC(=O)O)c3C ZINC000238741725 KK Annotated Bother CCCCCCCCCCCCCC[C@H](O)CC[C@H](CC(=O)O[C@@H](CO)COC(C)=O)OC(C)=O ZINC000238741734 KK Annotated Mild CCCCCCCCCc1c(C(=O)O)c(O)cc2c1[C@]1(C(=O)O2)C(CCCCCCC)=CC(=O)C=C1OC ZINC000238741762 KK Annotated Mild CCCCCCCCCCCCCCCc1c([C@H](C)CCCCCCCCCCCCCc2cccc(OC)c2OC)ccc(OC)c1OC ZINC000238741778 KK Annotated Mild CO[C@@H]1O[C@@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)C[C@]12[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000238741905 KK Annotated Reactive Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc5c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238741911 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC)cc(OC)c2c1O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)C2 ZINC000238741914 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)cc(OC)c(C(=O)CCC)c2O)C1=O ZINC000238741926 KK Annotated Mild CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@H](O)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000238742047 KK Annotated Anodyne C=C1CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)CCC1=CC(=O)OC1 ZINC000238742072 KK Annotated Mild C/C=C1/CN2CC[C@@H]1[C@@]1(C[C@H]3C[C@H]4/C(=C\C)CN(C)[C@@H](Cc5c3n1c1ccccc51)[C@H]4C(=O)OC)c1[nH]c3ccccc3c1C2 ZINC000238742081 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC(=O)OC/C=C(/CO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238742088 KK Annotated Mild O=c1cc(-c2c(CO)c(O)c(O)c3occc23)oc2c1c(O)c(-c1c(O)c3c(=O)cc(-c4c(CO)c(O)c(O)c5occc45)oc3c3cc(O)ccc13)c1ccc(O)cc12 ZINC000238742110 KK Annotated Clean COc1ccc([C@H]2Oc3c(c(OC)cc(OC)c3[C@H]3c4c(OC)cc(OC)cc4O[C@@H](c4ccc(OC)c(OC)c4)[C@@H]3OC(C)=O)C[C@H]2OC(C)=O)cc1 ZINC000238742113 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](OC(C)=O)C(=O)N[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCC)OC(C)=O ZINC000238742130 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]([C@@H]1C(=O)[C@H]3C(C)(C)CCC[C@]3(C)C3=C1C(=O)C(C(C)C)=C(O)C3=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238742140 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2O)[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@H]1C)OCO3 ZINC000238742191 KK Annotated Anodyne C=C[C@]1(C)CC[C@@H]2[C@@](C)(O1)C(=O)C[C@@H]1C(C)(C)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)C[C@@H](OC(=O)/C(C)=C\C)[C@@]21C ZINC000238742227 KK Annotated Mild COC(=O)[C@H]1[C@@H]2[C@](C)(C(=O)OC)[C@@H](O[Si](C)(C)C)CC[C@@]2(C(=O)OC)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O[Si](C)(C)C ZINC000238742244 KK Annotated Reactive CC(=O)O[C@H]1CC2=C(C[C@@H](O)[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)CC[C@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000238742252 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)C[C@H](OC(C)=O)[C@@]24C)C[C@]13CCC(=O)OC ZINC000238742408 KK Annotated Mild C=C[C@H](c1ccccc1O)c1cc(O[C@H](c2ccccc2)[C@@H](C)C2=CC(=O)C(OC)=CC2=O)c(OC)cc1OC ZINC000238742429 KK Annotated Mild CC#C/C=C\C=C\C[C@@H](O)/C(Br)=C(C)/C=C/C=C\C=C(\C)[C@H](O)C(C)(C)C(=O)N[C@H](C)CCC(C)=O ZINC000238742445 KK Annotated Mild CCc1c(O)c2c(=O)c3c(O)c(C)c(O)c4c5c(O)cc(O)c6c(=O)c7c(O)c(C(C)C)c(O)c8c(c1O)c2c(c34)c(c65)c78 ZINC000238742470 KK Annotated Bother C=C(C(=O)C[C@@](C)(O)[C@H]1CC[C@@]2(C)C3=CC[C@H](C(=C)C)[C@](C)(CCC(=O)O)C3=CC[C@]12C)[C@@H](C)C(=O)O ZINC000238742475 KK Annotated Mild C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C ZINC000238742494 KK Annotated Reactive CCC[C@@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@H](C)CC)C(=O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C1(C)C ZINC000238742525 KK Annotated Mild O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccc(O)cc3O)ccc(CO)c2C#Cc2ccc(O)cc2)C=C1 ZINC000238742584 KK Annotated Mild CC(=O)OC[C@@]1(C)[C@@H]2CC[C@@H]3C(=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]34C)CC2=C[C@@H](OC(C)=O)[C@@H]1NC(=O)c1ccccc1 ZINC000238742614 KK Annotated Anodyne COc1cc(-c2cc(OC)c3c(c2OC(C)=O)C/C(C)=C/CC/C(C)=C/C3)c(OC(C)=O)c2c1C/C=C(\C)CC/C=C(\C)C2 ZINC000238742631 KK Annotated Anodyne COC(=O)c1c(OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)cc2OC(C)=O)c(Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c1OC(C)=O ZINC000238742635 KK Annotated Anodyne CC(=O)OC/C1=C\[C@H]2[C@@H](OC(=O)/C=C\c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C ZINC000238742651 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@@H](O)[C@@H](C)[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000238742655 KK Annotated Anodyne COC1=C[C@@H](OC)c2c(O)c3c(c([C@]4(O)c5cc(C)cc(O)c5C(=O)c5c(OC)cc(OC)cc54)c2C1)C[C@](C)(O)CC(=O)Oc1c-3c(OC)cc2cc3c(c(O)c12)C(=O)C[C@@](C)(O)C3 ZINC000238742672 KK Annotated Anodyne CC(C)=CCC1=C2OC(C)(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccc(O)c(O)c2)(C1=O)C3=O ZINC000238742705 KK Annotated Mild CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000238742716 KK 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=C/c2ccc(C)c(C)c2C)C(C)(C)C[C@H](O)C1 ZINC000238742842 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000238742873 KK Annotated Bother CCCCCCCCCCCCCCCCCCCC(=O)OCC[C@H](CO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238742941 KK Annotated Mild C=C(C(=O)c1c(O)cc(O)c2c(C(=O)c3ccc(O)cc3O)c(-c3ccc(O)cc3)oc12)c1ccc(O)cc1 ZINC000238742943 KK Annotated Mild Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238742950 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C=C[C@H](NC(=O)c6ccccc6)[C@@]4(C)CO5)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238742952 KK Annotated Anodyne Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H](c3ccc(O)cc3)[C@@H]3c5cc(O)cc(O)c5[C@@H](c5ccc(O)cc5)[C@H]43)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238743002 KK Annotated Anodyne CC(=O)O[C@@H](CC[C@](C)(O)[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238743051 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](OC(C)=O)[C@H]2O[C@H]2c3ccc(OC)c(OC)c3O[C@H](c3ccc(OC)cc3)[C@@H]2OC(C)=O)cc1 ZINC000238743059 KK Annotated Anodyne C=C[C@](C)(O)CC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@H](O)[C@H](OC(=O)/C(C)=C\C)C[C@]12COC(=O)[C@H](C)CC ZINC000238743095 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000238743104 KK Annotated Mild Oc1ccc([C@@H]2Oc3ccc([C@H]4Oc5ccc(/C=C6\c7cc(O)cc(O)c7[C@@H](c7ccc(O)cc7)[C@@H]6c6cc(O)cc(O)c6)cc5[C@@H]4c4cc(O)cc(O)c4)cc3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000238743105 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@@H](O)C(=O)[C@]3(C)[C@@H]2CC[C@]2(O)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000238743116 KK Annotated Anodyne CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@@H](O)[C@H](OC(N)=O)CC[C@H](C)C[C@@H](O)[C@H](C)C(=O)O1 ZINC000238743134 KK Annotated Anodyne COc1cc2cc3c(c(OC(C)=O)c2c(OC(C)=O)c1-c1c(OC)cc2cc4c(c(OC(C)=O)c2c1OC(C)=O)C(=O)O[C@H](C)C4)C(=O)O[C@H](C)C3 ZINC000238743196 KK Annotated Anodyne C=C1[C@@H](OC(=O)C[C@@H](NC)c2ccccc2)C[C@@H](OC(C)=O)[C@@]2(C)[C@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000238743220 KK Annotated Mild CC1(C)O[C@H]1COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000238743222 KK Annotated Anodyne CCCCC[C@H](C)[C@H](O)[C@@H](O)C[C@H](C)CCC[C@@](C)(O)[C@H](O)[C@@H](O)C[C@H](C)CCC[C@H](C)CCOC(=O)CCc1ccc(O)cc1 ZINC000238743225 KK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2O[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238743288 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238743290 KK Annotated Anodyne CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@@H]23 ZINC000238743293 KK Annotated Anodyne CCCCCCCC(=O)OCC/C=C/[C@H](Cl)[C@H](O)[C@@H]1OC(=O)/C=C\C=C\c2nc(oc2C)/C=C(/C)CC[C@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238743412 KK Annotated Reactive CC(C)CCc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1C3(C)C ZINC000238743418 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c(c3[C@@H]3c5c(O)cc6c(c5[C@H]2[C@@H]3c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238743479 KK Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)OC(C)(C)[C@H]4C)C(=O)C(/N=c1\c(=O)c3c(O)cc(C)c4c5c(c(O)c(c1=O)c43)C(C)(C)[C@@H](C)O5)=C2O ZINC000238743509 KK Annotated Mild CCC/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000238743608 KK Annotated Clean O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23CCNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000238743611 KK Annotated Reactive COC1=C[C@@H]2CCN=C3Cc4ccc(cc4)Oc4c(O)c(OC)cc5c4[C@@H](Cc4ccc(cc4)COC1=C(O)[C@@H]32)N(C)CC5 ZINC000238743628 KK Annotated Anodyne COc1cc(O)c([C@@H]2COc3cc(O)ccc3[C@H]2c2c(OC)cc(O)cc2[C@@H]2COc3cc(O)ccc3C2)cc1OC ZINC000238743650 KK Annotated Anodyne CC(=O)O[C@H](CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O)[C@@](C)(O)CC[C@H](O)C(C)(C)O ZINC000238743658 KK Annotated Anodyne C=C(C)[C@@H](CC(=O)[C@@]1(C)CCC[C@@]1(C)CC(=O)C/C(C)=C/Cc1cc(OC(C)=O)cc(C)c1OC(C)=O)OC(C)=O ZINC000238743706 KK Annotated Mild C=C(CC[C@@H](C)[C@@H](CC)[C@@]1(C)CCC2=C(CC[C@H]3C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CC[C@@]23C)[C@@H]1C)C(C)C ZINC000238743778 KK Annotated Mild C=C(C)[C@@H]1C[C@H](C[C@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@H](C)C(=O)C3=C2O)C1(C)C ZINC000238743819 KK Annotated Mild Oc1cccc([C@]23CC4=CN(CCc5ccc(c(O)c5)-c5ccc(O)cc54)[C@H]2Cc2cc(O)cc(O)c23)c1 ZINC000238743841 KK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)c2oc3c(C[C@]4(C)[C@@H](C)CC[C@]5(C)C(C)=CCC[C@H]54)c(O)c(O)cc3c2C1=O ZINC000238743860 KK Annotated Mild CC/C=C\C=C/CCC[C@@H]1O[C@H]1C#CC#CCCC(=O)OC[C@H](CO)OC(=O)CCC#CC#C[C@@H]1O[C@H]1CCC/C=C\C=C/CC ZINC000238743866 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2O)C[C@@H](C)[C@H]1C ZINC000238743867 KK Annotated Anodyne CCCCC[C@@H](O)/C=C/[C@H](O)[C@H](O)CCCCCCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000238743885 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)cc(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000238743902 KK Annotated Clean CC(C)=CC[C@H]1C[C@@]23C[C@]4(CCC(C)(C)C[C@]4(C)O)OC2=C(OC(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000238743944 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c4c(c31)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000238743947 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#CCCCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238744006 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)c1c2oc2cc(O)c(O)cc2c1=O ZINC000238744011 KK Annotated Clean COc1c(C)c(O)c(C(=O)CCc2c(OC(=O)c3ccccc3)c(C)c3oc(-c4ccccc4)cc(=O)c3c2O)c(O)c1C=O ZINC000238744022 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)C(=CC[C@]3(C)[C@H]2CC=C2[C@@]3(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@@]23O)C(C)(C)[C@H]1OC(C)=O ZINC000238744048 KK Annotated Anodyne COc1c(C)c(O)c(C(=O)CCc2c(OC(=O)c3ccccc3)c(C)c(O)c3c(=O)cc(-c4ccccc4)oc23)c(O)c1C=O ZINC000238744061 KK Annotated Anodyne COc1ccc2c(c1)O[C@]1(c3ccc(OC)cc3OC)Oc3cc(-c4cc5ccc(OC)cc5o4)cc(OC)c3[C@@H]3C=C(C)C[C@@H]2[C@@H]31 ZINC000238744073 KK Annotated Anodyne Cc1c(O)c(Cc2c(-c3ccccc3)oc3c(C=O)c(O)c(C)c(O)c3c2=O)c(O)c2c1O[C@](O)(c1ccccc1)CC2=O ZINC000238744075 KK Annotated Anodyne Oc1ccc([C@H]2c3cc(O)ccc3[C@@H]3c4c(O)cc(O)cc4[C@H]2c2c(O)cc(O)c4c2[C@H]3[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)cc1 ZINC000238744111 KK Annotated Anodyne CC1=C[C@@H](c2c(O)cc3oc(-c4cccc(O)c4)cc3c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238744115 KK Annotated Anodyne CCCOC(=O)CC[C@H]1c2nc(cc3[nH]c(cc4nc(cc5[nH]c6c2c(=O)oc(=O)c6c5C)[C@H](CC)[C@H]4C)c(C(C)=O)c3C)[C@H]1C ZINC000238744119 KK Annotated Bother C/C=C(\C)[C@@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)[C@@H](C)c1ccc(CCCC)c(=O)o1 ZINC000238744120 KK Annotated Anodyne Oc1ccc([C@@H]2[C@@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@@H]2[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238744187 KK Annotated Anodyne CC[C@@H]1CCCN(CCc2c([C@]3(C(=O)OC)CCC(C(=O)OC)=C4Nc5ccccc5[C@]43CCN3CCC[C@@H](CC)C3)[nH]c3ccccc23)C1 ZINC000238744247 KK Annotated Anodyne COc1cc(/C=C2/c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3O)[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238744297 KK Annotated Anodyne C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(Nc2ccc(C[C@]3(C)[C@@H](C)CC[C@@]4(C)C(=C)CCC[C@H]43)c(O)c2)=CC1=O ZINC000238744303 KK Annotated Mild CC[C@H](C)C(=O)[C@@H](C)C1=C(SC)C(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@@]4(C)[C@@H]3C2)C1=O ZINC000238744330 KK Annotated Mild CC(C)=CCC1=C2O[C@]3(C)CC(C)(C)CC[C@H]3C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000238744356 KK Annotated Mild CCCC(=O)c1c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)[C@H]2O)c1O ZINC000238744403 KK Annotated Mild C=C[C@]1(C)CC[C@@]2(C)[C@@H]3C=C(CC(=O)[C@]4(C)C=C5CC[C@@H]6C(C)(C)CCC[C@@]6(C)[C@@H]5CC4)C(=O)C(=C)[C@]3(C)CC[C@@H]2C1 ZINC000238744417 KK Annotated Mild COc1cc(O)c2c(c1)CCc1cc(O)c(-c3c(OC)cc(O)c4c3CCc3c-4ccc(O)c3-c3c(OC)cc(O)c4c3CCc3cc(O)ccc3-4)cc1-2 ZINC000238744435 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c2c(c(OC)c3c1O[C@@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]3c1ccc(OC)cc1OC)C[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238744485 KK Annotated Anodyne COc1cc2ccnc3c2c(c1O)Oc1ccc(cc1)C[C@@H]1c2c(cc(OC)c(OC)c2Oc2ccc(cc2)C3)CCN1C ZINC000238744490 KK Annotated Anodyne CC(C)=CC[C@]1(CC(CCC(C)C)=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)[C@@H]2C(=O)[C@@H](C)[C@@H](C)O[C@@H]21 ZINC000238744504 KK Annotated Mild C[C@@H](CCC[C@@H](C)CCC[C@@H](C)CCO)CCC[C@@H](C)CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO ZINC000238744526 KK Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000238744550 KK Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000238744553 KK Annotated Bother COc1cc2c(cc1OC)[C@H](Cc1ccc(OC3=C[C@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2 ZINC000238744630 KK Annotated Mild COc1ccc(C[C@H]2c3cc(C)c(C)cc3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000238744652 KK Annotated Bother CCCc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(CCC)cc(O)c1C3=O)C2=O ZINC000238744721 KK Annotated Clean CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@@H](O)[C@]2(C)CC[C@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)C2)C1 ZINC000238744732 KK Annotated Reactive C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H](Cc1c[n+]2c(c3[nH]c4ccccc4c13)C[C@@H]1C(C(=O)OC)=CO[C@@H](C)[C@H]1C2)C(=O)OC ZINC000238744747 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3cc(O)cc(O)c3)c(O)c1C2=O ZINC000238744798 KK Annotated Anodyne CC1=C[C@@H](c2ccc(O)c([C@@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000238744823 KK Annotated Anodyne C[C@H]1CCCC/C=C\CCC2=C[C@@H]3CN4CCCCc5nc6c(O)cccc6c(CCN)c5/C=C\CC[C@]5(CN(CC[C@H]35)C1)[C@@H]24 ZINC000238744826 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC(C)=O)[C@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)C2 ZINC000238744847 KK Annotated Anodyne C[C@@H]1Cc2c(c(O)c3c(=O)cc4oc5c6c(c(O)c7c(=O)cc8oc2c3c4c8c57)[C@@H](C)O[C@H](C)C6)[C@@H](C)O1 ZINC000238744876 KK Annotated Bother Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4[C@@H](c5ccc(O)cc5)O[C@@H](c5ccc(O)cc5)[C@@H]4c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238744879 KK Annotated Anodyne C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C ZINC000238744929 KK Annotated Reactive C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H]1C(C)=CC[C@@]23C(=O)C(C(C)C)=C(O)C(=O)[C@@]12[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]3O ZINC000238744930 KK Annotated Mild CC(=O)c1c(C)c(C)c(O)c(Cc2c(O)c3c(c4c2O[C@@H](c2ccccc2)CC4=O)OC(C)(C)C=C3)c1O ZINC000238744931 KK Annotated Anodyne COc1cc(OC)c2c(c1)c(-c1c(OC)cc(OC)c3c(O)c4c(=O)cc(C)oc4cc13)c(O)c1c(=O)cc(C)oc12 ZINC000238744939 KK Annotated Bother CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(/C)C(=O)/C=C/C(C)=C/C=C/C(C)(C)O)[C@@]3(C)CC[C@@H]2[C@@]1(C)C(=O)O ZINC000238745062 KK Annotated Mild CCCCCCCCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238745070 KK Annotated Reactive COC1=CC2=C3[C@@H](Cc4ccc(OC)c(c4)Oc4ccc(cc4)C[C@H]4c5cc6c(cc5CCN4C)OC[C@@]3(O6)C1=O)N(C)CC2 ZINC000238745088 KK Annotated Mild C[C@@H](CCCC[C@@H](C)CCC[C@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C)CCC[C@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000238745099 KK Annotated Anodyne C=C1[C@@H](OCC(C)C)C[C@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@]2(OC(C)=O)C[C@@H](C)[C@@H](OC(C)=O)[C@H]2[C@@H]1OC(C)=O ZINC000238745114 KK Annotated Mild CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC/C=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CCCC1(C)C ZINC000238745128 KK Annotated Anodyne CCC1=C(C)Cc2cc(-c3cc4c(c(-c5cc6c(c(Cc7ccccc7)c5)C(=O)OCC6)c3)C(=O)OCC4)ccc2C1 ZINC000238745166 KK Annotated Anodyne CC(=O)Oc1c(Cl)c(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000238745209 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)/C=C/c1ccccc1)C[C@@H](C)[C@@](C)(O)C2 ZINC000238745211 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]4[C@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000238745215 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(OC(=O)c3ccc(O)cc3O)c(C3=C[C@]4(C)C[C@H](C3)c3ccc(O)cc3O4)c(O)c1C2=O ZINC000238745219 KK Annotated Anodyne O=C(/C=c1\cccc(-c2ccc(O)cc2)c1=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000238745234 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238745313 KK Annotated Mild Cc1c(Br)c(O)cc(Oc2cc(O)c(Br)c(C)c2Br)c1Br ZINC000238745326 KK Annotated Anodyne Cc1c(Br)c(O)cc(Oc2c(Br)c(C)c(Br)c(O)c2Br)c1Br ZINC000238745339 KK Annotated Anodyne C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@H]1[C@H](OCC)[C@@H]3C(=O)[C@@]4(C/C=C(\C)C(=O)O)OC(C)(C)[C@@H]3C[C@@]14O2 ZINC000238745383 KK Annotated Mild CC1=C(CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H]2CC[C@H]([C@H](C)CCCC(C)C)C2)C(=O)c2ccccc2C1=O ZINC000238745386 KK Annotated Mild COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(-c3c(OC)cc4c(c3OC)C(=O)c3c(OC)cc(C)cc3C4=O)c(OC)c1C2=O ZINC000238745444 KK Annotated Clean C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCCCCCCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238745489 KK Annotated Mild C=C1[C@H](O)C[C@@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@H](OC(=O)/C=C/c4ccccc4)C[C@]3(C(C)(C)O)[C@H](OC(C)=O)[C@H]12 ZINC000238745491 KK Annotated Mild CC1=C[C@@H](C2=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@@H](C)[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000238745499 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5c(O)cc6c7c5[C@@H]([C@@H]4c4ccc(O)cc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]7[C@@H](c4ccc(O)cc4)O6)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238745520 KK Annotated Anodyne C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3OC(=O)CC(=O)O[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC000238745524 KK Annotated Mild C=C(C)CC[C@@H](C=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C2=C(O)[C@@H](C)[C@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000238745532 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c2c(c(OC)c3c1O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]3c1ccc(OC)cc1OC)C[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238745551 KK Annotated Anodyne C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(COC(=O)CCCCCCCCCCCCCCC)CCC[C@]3(C)[C@H]2CC1 ZINC000238745570 KK Annotated Mild Oc1ccc2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c([C@H]2c3ccc(O)cc3O[C@@H](c3ccc(O)c(O)c3)[C@@H]2O)c(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000238745603 KK Annotated Clean CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@H](C(=O)c4ccc5c(c4O)CCC(C)(C)O5)[C@H]3c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000238745619 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc5c(c3[C@H]4[C@H]2c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000238745679 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@]1(CC=C(C)C)C(=O)C(CC=C(C)C)=C(OC)C(C(=O)c2ccccc2)=C1OC)C(=C)C ZINC000238745680 KK Annotated Mild CC1(C)O[C@@]2(C[C@@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@]2(Cl)C[C@H]1Cl ZINC000238745690 KK Annotated Reactive CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(=O)[C@@H]3C(C)(C)CCC[C@]43C)O1)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238745707 KK Annotated Mild CCCCCCCCCCCCc1cc(C)cc(C(=O)/C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\c2ccc(O)c(C)c2)c1O ZINC000238745717 KK Annotated Mild COc1ccc([C@H]2c3c(c4c(c5c3O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](O)[C@@H]5c3ccc(OC)cc3OC)O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)C4)O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238745730 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000238745765 KK Annotated Reactive CC1=C[C@H](c2c(O)cc([C@H]3[C@H](c4ccccc4)[C@H](c4cc(O)c([C@H]5C=C(C)CC[C@@H]5C(C)C)c(=O)o4)[C@H]3c3ccccc3)oc2=O)[C@@H](C(C)C)CC1 ZINC000238745774 KK Annotated Anodyne COC(C[C@@]1(C)[C@H](C(C)(C)C(=O)O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@]12C)OC ZINC000238745793 KK Annotated Anodyne Oc1ccc(/C=C2/c3c(c(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]3c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4)[C@H]3c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000238745859 KK Annotated Anodyne Oc1ccc(/C=C2/c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238745873 KK Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000238745914 KK Annotated Bother CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@](C)(O)[C@@H]2CCC2=C(C)[C@H](O)C[C@@H]3[C@@H](CC[C@@]3(C)O)C2(C)C)OC1(C)C ZINC000238745918 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000238745924 KK Annotated Mild CCCCCCC[C@H](C)C[C@H](C/C=C/CCC(=O)NC[C@](O)(COC)C1=C[C@@H](C)[C@@H](O)C(C)(C)C1=O)OC ZINC000238745930 KK Annotated Mild Cc1c(O)c(C(=O)/C=C/c2ccccc2)c2c(c1O)[C@@H]1Oc3c(C)c(O)c(C(=O)/C=C/c4ccccc4)c4c3[C@@H](CC(C)(C)O4)[C@@H]1C(C)(C)O2 ZINC000238745947 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)N(C)CC4 ZINC000238746035 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000238746082 KK Annotated Anodyne O=C1OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c2ccc(cc2)C(=O)OCCOC(=O)c2ccc1cc2 ZINC000238746113 KK Annotated Anodyne CCc1c(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)c(C(C)C)c(O)c8c(c1O)c2c(c34)c(c65)c78 ZINC000238746122 KK Annotated Bother N=C1N[C@@H]2[C@H](c3c[nH]c4cc(Br)ccc34)[C@H](N1)[C@@H](c1c[nH]c3cc(Br)ccc13)[C@@H]1[C@@H](c3c[nH]c4cc(Br)ccc34)NC(=N)N21 ZINC000238746131 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C[C@@]4(O)CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@H]32)C1(C)C ZINC000238746137 KK Annotated Anodyne Oc1cc(O)cc(Oc2c(Oc3c(O)cc(Oc4c(O)cc(O)c(-c5c(O)cc(O)cc5O)c4O)cc3O)cc(O)cc2Oc2c(O)cc(Oc3c(O)cc(O)c(-c4c(O)cc(O)cc4O)c3O)cc2O)c1 ZINC000238746141 KK Annotated Anodyne COc1cc(O)c([C@@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccccc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000238746236 KK Annotated Mild O=C(c1ccc(O)cc1O)[C@H]1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@@H]1[C@@H](c1ccc(O)cc1)c1c(O)cc2c(c1O)C[C@@H](O)[C@H](c1ccc(O)cc1)O2 ZINC000238746245 KK Annotated Anodyne Oc1ccc([C@@H]2c3ccccc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4ccccc4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238746268 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2C(=O)[C@@H]1O ZINC000238746285 KK Annotated Clean CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccccc1)=C2O ZINC000238746300 KK Annotated Mild CCc1c[n+]2ccc3c([nH]c4cccc(OC)c43)c2cc1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C(=O)O)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000238746340 KK Annotated Bother CC1(C)O[C@@]23C=Cc4cc5ccoc5c(c4O2)OC[C@H]2O[C@]4(C=Cc5cc6ccoc6c(c5O4)OC[C@H]1O3)OC2(C)C ZINC000238746403 KK Annotated Anodyne O=C(/C=C/c1ccc(O)cc1)c1c(O)c(O)c(O)c2c(C(=O)c3ccc(O)cc3O)c(-c3ccc(O)cc3)oc12 ZINC000238746431 KK Annotated Mild CC(=O)O[C@H]1/C(=C\C[C@@H](O)/C(C)=C/CC/C(C)=C\COC/C=C/c2ccc(O)cc2)C(=O)O[C@@H]1C=C(C)C ZINC000238746452 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2O)[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@H]1C)OCO3 ZINC000238746460 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)[C@]4(C)C=O)C[C@H]3CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238746468 KK Annotated Mild C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@]23c2ccc([nH]2)C1=O ZINC000238746473 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(OC)c(OC)c2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C ZINC000238746477 KK Annotated Anodyne Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c([C@H]2c3ccc(O)cc3O[C@H](c3ccc(O)c(O)c3)[C@H]2O)c(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000238746504 KK Annotated Clean CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000238746505 KK Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C ZINC000238746548 KK Annotated Anodyne COc1cc2c(c(OC)c1[C@@H](C)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C=CC(C)(C)O2 ZINC000238746568 KK Annotated Anodyne CC(C)=Cc1cc(CCC/C(C)=C/Cc2c(O)cc(C)c(C(=O)O)c2O)c(C2=C(c3ccc(O)cc3)C(=O)C(O)=C(c3ccc(O)cc3)C2=O)o1 ZINC000238746610 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]2c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]42)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000238746653 KK Annotated Anodyne CC1(C)Oc2cc3c(c(O)c2[C@H](O)[C@H]1O)-c1c(O)cc(cc1O)CCCCCCCCCCCCCC3 ZINC000238746658 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@@H]4c5c(/C=C/c6ccc(O)c(O)c6)cc(O)cc5O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238746730 KK Annotated Clean COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1NCCc4cc(OC)c(c(OC)c41)OCc1ccc(cc1)C[C@H]3N(C)CC2 ZINC000238746737 KK Annotated Anodyne CCCCCCCC/C=C\C[C@H]1CC(=O)NCCCN(C(=O)[C@H](C)CC)CCCCCN(C(=O)[C@H](C)CC)CCCN1 ZINC000238746750 KK Annotated Mild CC[C@@H](C)C(=O)[C@@]12C[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@H]1CCC=C(C)C)C(O)=C(CC=C(C)C)C2=O ZINC000238746757 KK Annotated Mild CC[C@H](C)[C@@H](NC(=O)CC[C@H]1c2cc3[nH]c(cc4cc(C)c(cc5cc(C)c(cc(n2)C1(C)C)[nH]5)n4)c(C)c3CCC(=O)OC)C(=O)OC ZINC000238746810 KK Annotated Bother CC(C)=CC[C@@H]1C[C@@]23C[C@@H]4CCC(C)(C)C[C@]4(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000238746888 KK Annotated Mild O=C(Oc1cc(O)c2c(c1)O[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H](c1c(OCc3ccccc3)cc(O)c3c(=O)cc(-c4ccc(OC(=O)c5ccccc5)c(O)c4)oc13)C2=O)c1ccccc1 ZINC000238746932 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238746939 KK Annotated Mild Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238746961 KK Annotated Anodyne C[C@H]1N[C@@H](CCCCCCCCCCC2=C[C@@H](CCCCCCCCCC[C@H]3CC[C@H](O)[C@@H](C)N3)[C@@H]3CCCN3C2)CC[C@@H]1O ZINC000238746965 KK Annotated Anodyne Cc1c2c(cc3oc([C@]4(C)c5ccoc5C[C@H]5[C@H]4CC[C@H]4C(C)(C)CCC[C@]54C)cc13)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 ZINC000238746980 KK Annotated Anodyne CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@H]([C@]4(C(=O)OC)C[C@]5(CC)C=CCN6CC[C@]7(c8ccccc8N[C@H]47)[C@H]65)C1)[C@@H]32 ZINC000238747009 KK Annotated Anodyne C=C1CC[C@H](OC(=O)/C=C/c2ccccc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)/C=C\c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238747016 KK Annotated Mild C/C=C(/C)C(=O)OC[C@]1(C)[C@@H]2[C@H]3C(=O)C=C(C)[C@@H]2[C@@]3(C)[C@H](OC(=O)/C(C)=C\C)C[C@H]1OC(=O)/C(C)=C\C ZINC000238747029 KK Annotated Mild C=C1C[C@H]2CCC[C@H](OC)C[C@@H](c3coc(/C=C(\C)[C@@H](C)OC)n3)OC(=O)[C@@H](C)C[C@H](C)[C@@H](OP(=O)(O)O)C[C@@H](C1)O2 ZINC000238747038 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H]3O[C@]34[C@]23CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]42C(=O)O3)C1(C)C ZINC000238747081 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)C[C@@H](O)[C@@]34C)[C@@H]2C1 ZINC000238747129 KK Annotated Anodyne CC(=O)OC[C@@H]1C[C@@H](OC(C)=O)[C@@H]([C@@H](C)CCC=C(C)C)c2cc(C)c(OC(C)=O)c(OC(C)=O)c21 ZINC000238747154 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]4c2cc(/C=C/c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)ccc2O)cc1 ZINC000238747207 KK Annotated Anodyne CCCCCCCCCCCCCCCc1ccc2c(oc3c(OC)c(OC)c(CCCCCCC[C@H](O)CCCCCCC)cc32)c1OC ZINC000238747242 KK Annotated Mild C=C/C=C/C=C/CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3CCC[C@H]([C@H](C)CCC[C@@H](C)C(=O)OC)[C@@H](C)CC[C@H]32)C1 ZINC000238747280 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@H]2[C@@H]4CC(C)(C)C[C@@H](OC(C)=O)[C@]4(C)CC[C@]23C)C1(C)C ZINC000238747308 KK Annotated Anodyne CCOC(=O)C[C@H](Cc1cc(OC)c2c(OC)c(NC(=O)Nc3ccc4c(OC)c(C[C@H](CC(=O)OCC)OC(C)=O)cc(OC)c4c3OC)cc(OC)c2c1)OC(C)=O ZINC000238747335 KK Annotated Anodyne CCc1oc(=O)c(Cc2c(OC(C)=O)c(C/C=C(\C)CCC=C(C)C)c(OC(C)=O)c(C(=O)[C@H](C)CC)c2OC(C)=O)c(OC(C)=O)c1C ZINC000238747378 KK Annotated Anodyne CC(C)=CCC[C@@H]1[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C[C@@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000238747388 KK Annotated Mild COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c(CCc2cccc(O)c2)c1Cc1ccc(O)cc1 ZINC000238747441 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)C[C@@H]3CCC[C@H](C[C@@H](OC(C)=O)CC2)N31 ZINC000238747457 KK Annotated Anodyne C=CC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)O)c1C)/C=C1\N=C(/C=C3\N[C@H](C2)C(C=O)=C3C)C(C)=C1CCC(=O)O ZINC000238747474 KK Annotated Reactive CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](/C=C\CCO)OC(C)=O ZINC000238747477 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)CCc2c(C)c(OC(=O)CCCCCCCCCCC)c(C)c(C)c2O1 ZINC000238747478 KK Annotated Mild C=C/C(C)=C\C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)/C=C/c4ccccc4)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000238747498 KK Annotated Anodyne CCCc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(CCC)c8c1c2c(c34)c(c65)c78 ZINC000238747520 KK Annotated Bother CCCCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)cc(OC)c(C(=O)CCCCC)c2O)C1=O ZINC000238747586 KK Annotated Mild CCCCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC3=C(O)[C@@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C3=O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000238747604 KK Annotated Mild CCCCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC3=C(O)[C@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C3=O)c(O)c(C(=O)CCCCC)c2O)C1=O ZINC000238747616 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000238747621 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc4c5c(c3[C@H]2c2cc(O)cc(O)c2)C[C@H](c2ccc(O)cc2O)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238747634 KK Annotated Anodyne CCCCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC3=C(O)[C@@](C)(CC=C(C)C)C(O)=C(C(=O)CCCCC)C3=O)c(O)c(C(=O)CCCCC)c2O)C1=O ZINC000238747636 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCc1c(O)c(OC)cc2c1[C@]1(CCCCCCCCCCCCCCCCC)C(=O)C(OC)=CC(=O)[C@]1(O)O2 ZINC000238747648 KK 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#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)CC=C1 ZINC000238747657 KK Annotated Mild CC1=CCCC(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#CC1=C(C)C[C@@H](O)CC1(C)C ZINC000238747668 KK Annotated Mild COC(=O)CCC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2[C@@](C)(COC(=O)CC(C)C)C[C@H](O)C[C@]12C ZINC000238747678 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C=O)c(C)c3[C@@H](O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000238747754 KK Annotated Bother CC(=O)O/C1=C2/C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H]1C ZINC000238747775 KK Annotated Anodyne CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@H]2C(C)(C)C1 ZINC000238747777 KK Annotated Anodyne C=C1[C@H](OC(=O)/C=C/c2ccccc2)C[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12 ZINC000238747869 KK Annotated Mild C=C1CC(C)(C)CC[C@H]1C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C(O)=C(CC=C(C)C)C2=O ZINC000238747871 KK Annotated Mild COc1c(O)cc(/C=C/c2cc(O)cc3c2[C@]2(C(=O)O3)c3c(O)cc(O)cc3O[C@H]2c2ccc(O)cc2)c2c1OC(=O)[C@@]21c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000238747881 KK Annotated Anodyne COc1cc(O)c2c(c1)C(c1c(OC)cc3c(c1O)C(=O)c1c(O)cc(C)cc1C3)=C1CC(C)(C)CC(=O)[C@@H]1[C@H]2O ZINC000238747905 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238747912 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c(/C=C\c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238747919 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@]2(C[C@@H](C)C=C[C@@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238747926 KK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)/C=C/c3ccccc3)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238747941 KK Annotated Anodyne COc1cc(/C=C\C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(=CC[C@@H]6C(C)(C)[C@@H](OC(C)=O)CC[C@@]65C)C[C@]4(C)CC[C@H]3C2(C)C)ccc1OC(C)=O ZINC000238747946 KK Annotated Anodyne C=C1[C@H]2C[C@H](OC(=O)CC)[C@@]3(C)CC[C@@H]([C@H](C)[C@@H](OC(=O)CC)C[C@@H]4O[C@@]4(C)[C@H](OC(=O)CC)C2)[C@@H]13 ZINC000238747984 KK Annotated Mild CC[C@@H](N[C@@H]1CCCn2c1cc1ccccc12)c1c(O)ccc2c3c([nH]c12)[C@]1(C(=O)OC)C[C@H]2C[C@@H](CC)[C@@H]1N(CC3)C2 ZINC000238747992 KK Annotated Clean COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@@H]2O[C@H]1C[C@H](c2ccccc2)Oc2c(CC=C(C)C)c(OC)cc(OC)c21 ZINC000238748076 KK Annotated Anodyne COc1ccc([C@H]2c3c(cc(OC)c4c3O[C@H](c3ccc(OC)c(OC)c3)[C@@H](OC(C)=O)C4)O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2OC(C)=O)c(OC)c1 ZINC000238748086 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1c(c(O)cc(O)c1[C@@H]1C=C(C)C[C@@H](c3ccc(O)cc3O)[C@@H]1C(=O)c1ccc(O)cc1O)C2=O ZINC000238748093 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c3ccc(C)cc3)CC(C)=C[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000238748099 KK Annotated Anodyne CN[C@@H](Cc1cc(Br)c(OC)c(Br)c1)C(=O)NCCC(=O)c1c(Br)cc(CCN(C)C)cc1Br ZINC000238748102 KK Annotated Anodyne C=C(O[C@H]1C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@H]12)c1ccccc1 ZINC000238748108 KK Annotated Mild C=C(O[C@H]1C(=C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@H]12)c1ccccc1 ZINC000238748124 KK Annotated Mild C/C=C(\C)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@@]1(C)CO ZINC000238748130 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(Oc3c(O)cc(C)c4c3CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O4)cc(C)c2O1 ZINC000238748132 KK Annotated Anodyne CCCCCCCCCCCCCCC(=O)Oc1oc2c(OC)c3c(cc2c(=O)c1-c1ccccc1O)OCO3 ZINC000238748136 KK Annotated Mild C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(=O)CCC ZINC000238748209 KK Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@]1(C)CCC=C(C)C)C2=O ZINC000238748246 KK Annotated Mild C=C(/C=C/C=C(\C)CCC=C(C)C)[C@H]1CC[C@]2([C@H](CCCOC(=O)CCCCCCCCC)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O ZINC000238748274 KK Annotated Reactive CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21OC(C)=O ZINC000238748303 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)[C@H]2c1cc2c(cc1OC)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238748350 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc4c(c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12)[C@H]1C=C(C)C[C@@H]2c3ccc(O)cc3O[C@@](c3ccc(O)c5c3OC(C)(C)C=C5)(O4)[C@@H]12 ZINC000238748414 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)C[C@H](OC(C)=O)[C@@]24C)C[C@]13CCC(=O)O ZINC000238748433 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@]1(C)O ZINC000238748522 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)c([C@H]3c5cc(O)cc6c5[C@H](c5cc(O)cc(O)c5[C@@H]3c3ccc(O)cc3)[C@@H](c3ccc(O)cc3)O6)c2)C4)cc1 ZINC000238748540 KK Annotated Anodyne CC(=O)Oc1ccc(CCC(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5C(=CC[C@H]6C(C)(C)[C@@H](OC(C)=O)CC[C@]56C)C[C@]4(C)CC[C@H]3C2(C)C)cc1OC(C)=O ZINC000238748548 KK Annotated Anodyne CC/C=C\C=C/CCC[C@@H]1O[C@H]1C#CC#CCCC(=O)OCC(O)COC(=O)CCC#CC#C[C@@H]1O[C@H]1CCC/C=C\C=C/CC ZINC000238748578 KK Annotated Mild COc1cc(C(=O)[C@H](CO)c2cc([C@H]3OC[C@@H]4[C@@H](c5cc(OC)c6c(c5)[C@@H](CO)[C@@H](c5ccc(O)c(OC)c5)O6)OC[C@H]34)cc(OC)c2O)ccc1O ZINC000238748604 KK Annotated Anodyne CC[C@H](C)CCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1N1C(=O)c2cc3cc4c(cc3cc2C1=O)CCCC4 ZINC000238748615 KK Annotated Anodyne CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC1=C(O)C(=O)C(C)=C(c2occ(C=C(C)C)c2CCC/C(C)=C/Cc2c(O)cc(C)cc2O)C1=O ZINC000238748620 KK Annotated Mild C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000238748727 KK Annotated Anodyne CCCCCC/C=C\CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238748743 KK Annotated Reactive C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C\C=C(C)\C=C1\C=C([C@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(=O)O1 ZINC000238748793 KK Annotated Bother O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccc(O)cc3)ccc(COc3ccc(C(=O)O)cc3)c2C#Cc2ccc(O)cc2)C=C1 ZINC000238748815 KK Annotated Mild C/C=C1/CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000238748966 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C(C)/C=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000238749079 KK Annotated Mild Cc1cc2c3c4c(c(O)c5c(=O)c(C)cc(c6c7c(c(=O)c(c1O)c26)[C@@H](C)O[C@H](C)C7)c53)[C@@H](C)O[C@@H](C)C4 ZINC000238749099 KK Annotated Bother CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)C)C[C@]4(C1=O)C(=O)[C@@](C(=O)C(C)C)(C2=O)C3(C)C ZINC000238749130 KK Annotated Anodyne CC(C)=C[C@@H]1C[C@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)Oc2c1cc(O)c1c(=O)c3cccc(O)c3oc21 ZINC000238749170 KK Annotated Bother CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@H]4C(C)(C)[C@H](C(C)C)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238749185 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238749270 KK Annotated Anodyne CC[C@]12C=C([C@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@]56CCN3[C@H]64)CN3CC[C@@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000238749370 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(O)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000238749423 KK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@@](C)(COC(=O)CC(=O)OC[C@@]4(C)CCC[C@]5(C)[C@@H]4CC=C4C[C@@](C)(C=C)CC[C@@H]45)CCC[C@]32C)C1 ZINC000238749487 KK Annotated Mild C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@]2(C[C@H](C)C=C[C@@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238749493 KK Annotated Mild CC[C@]12CCCN3CCc4c(n(c5ccccc45)C[C@@H]1c1ccc4c(c1)[C@@]15CCN6CCC[C@]7(CC[C@@]1(N4)[C@H](C(=O)OC)C7)[C@H]65)[C@@H]32 ZINC000238749525 KK Annotated Anodyne C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@@H]1CCC(C)=C[C@@H]31)C(=O)[C@H]1[C@H](OCC)[C@@H]3C(=O)[C@@]4(C/C=C(\C)C(=O)O)OC(C)(C)[C@@H]3C[C@@]14O2 ZINC000238749548 KK Annotated Mild O=C1C=CC(=C2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@@H]2[C@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)C=C1 ZINC000238749558 KK Annotated Mild Oc1ccc([C@H]2Oc3ccc([C@H]4Oc5ccc(/C=C6\c7cc(O)cc(O)c7[C@@H](c7ccc(O)cc7)[C@@H]6c6cc(O)cc(O)c6)cc5[C@@H]4c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238749560 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000238749589 KK Annotated Mild C[Si](C)(C)Oc1cc(Cc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(Br)c2Br)c(Br)c(Br)c1O[Si](C)(C)C ZINC000238749591 KK Annotated Reactive CC(=O)O[C@H]1CC2=C(C=C[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)CC[C@H]([C@@](C)(O)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000238749601 KK Annotated Anodyne CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)c(/C=C/C(C)C)c4O)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000238749658 KK Annotated Anodyne CC(=O)OC/C=C(\CC/C=C(\C)CC/C=C(/CC/C=C(\C)COC(C)=O)COC(C)=O)COC(C)=O ZINC000238749672 KK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@]23C(=O)OC[C@H]2O[C@@H](Oc3cc4cc(C)cc(C)c4cc3OC)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000238749679 KK Annotated Anodyne CC(=O)O/C(C)=C/Cc1c(O)c(O)cc2oc3c(CC=C(C)C)c4c(c(O)c3c(=O)c12)C=CC(C)(C)O4 ZINC000238749729 KK Annotated Clean COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@H](O)c1cc(C)cc(O)c1O2 ZINC000238749738 KK Annotated Anodyne C[C@H]1O[C@H](C)[C@H]2Oc3cc(O)c4c(=O)c5c6c7c8c(cc(=O)c9c(O)c1c2c(c3c47)c98)O[C@H]6[C@@H](C)O[C@@H]5C ZINC000238749761 KK Annotated Bother O=C(O)C[C@H]1c2c(O)cc(O)c([C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)cc4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O5)[C@@H]3O)c2O[C@H](c2ccc(O)cc2)[C@@H]1O ZINC000238749768 KK Annotated Anodyne CC(C)=CC[C@@]1(c2ccc(O)cc2O)C(=O)Oc2cc(O)c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c2C1=O ZINC000238749833 KK Annotated Anodyne CC(C)=CCc1c(O)ccc2cc(-c3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3)oc12 ZINC000238749853 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c2c(c3c(c1OC)[C@H](c1ccc(OC)cc1OC)[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O3)C[C@@H](O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238749871 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000238749877 KK Annotated Reactive CO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C(=O)O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=C[C@@](C)(CCC=C(C)C)O4 ZINC000238749908 KK Annotated Anodyne C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@]23C(=O)C(O)=C(C(C)C)C(=O)[C@]12C(=O)[C@H]1C(C)(C)CCC[C@@]13C ZINC000238749973 KK Annotated Mild CC1(C)[C@@H](OC(=O)CCc2ccc(O)c(O)c2)CC[C@]2(C)[C@@H]1CC[C@]1(C)C[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21 ZINC000238750008 KK Annotated Clean C[C@H](NC(=O)c1ccccc1)[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 ZINC000238750035 KK Annotated Anodyne COc1c2c(c3c4c1CCNc4c(-c1c4c5c(cc6c(c5c5ccccc15)OCO6)CCN4)c1ccccc13)OCO2 ZINC000238750047 KK Annotated Bother C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000238750057 KK Annotated Mild CO[C@@H](c1ccc(O)cc1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2cc(O)cc(O)c2)[C@@H]1c1ccc(O)cc1O ZINC000238750072 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3c([C@H]4c5c(O)cc(O)cc5[C@H]5c6c(O)cc(O)cc6[C@@H]4[C@H]5c4ccc(O)cc4)ccc(O)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000238750086 KK Annotated Anodyne CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)C4(C)C ZINC000238750089 KK Annotated Anodyne OC1=C[C@H]2O[C@@H](c3ccc(O)cc3)[C@@H]3c4cc(O)cc5c4[C@@H](c4cc(O)cc6c4[C@H](C(=C1)[C@@H]23)[C@@H](c1ccc(O)cc1)O6)[C@H](c1ccc(O)cc1)O5 ZINC000238750100 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2O)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238750102 KK Annotated Anodyne CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C\C=C/C=C/C=C/C=C/C=C\C=C/c1ccc(O)cc1 ZINC000238750114 KK Annotated Bother Oc1ccc(/C=C2\c3cc(O)cc4c3[C@@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c32)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000238750175 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(OC2=C[C@]3(C=CC2=O)C[C@@H]2c4c(cc(OC)c(OC)c43)CCN2C)cc1 ZINC000238750189 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1CCC2=C[C@@]3([C@@]45C=C6CC[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@]6(C)CC4=C(C)C(=O)O5)OC(=O)C(C)=C3C[C@]2(C)[C@H]1C ZINC000238750207 KK Annotated Anodyne COC(=O)CC[C@]1(C)C(c2cc3c(o2)[C@H](C)[C@@H](CC(=O)OC)C(C)(C)[C@H]3OC(C)=O)=CC(=O)O[C@H]1c1ccoc1 ZINC000238750213 KK Annotated Anodyne CCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C ZINC000238750225 KK Annotated Reactive CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)CC(C)C)=C1O ZINC000238750269 KK Annotated Mild C=C1[C@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12 ZINC000238750299 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C[C@@H](c3ccc(O)cc3O)C(C)=C[C@H]2c2c(O)cc3c(c2O)C(=O)[C@@]2(CC=C(C)C)Oc4cc(O)ccc4[C@@]2(O)O3)c1O ZINC000238750380 KK Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](/C=C(\C)[C@@]3(O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H](C3=O)[C@H]1OC(C)=O)C2(C)C ZINC000238750398 KK Annotated Mild CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000238750414 KK Annotated Anodyne CO[C@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(SC)c(O)c4c3C2=O)NC(=O)[C@@H](C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](CC(=O)O)[C@@H]1C ZINC000238750469 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCCCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238750486 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]5[C@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc3c2[C@@H](c2cccc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238750524 KK Annotated Anodyne C=C(C)CC[C@@H](C=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C2=C(O)[C@@H](C)[C@@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000238750526 KK Annotated Mild COc1cc(/C=C/C(=O)O[C@@H]2CC[C@]3(C)C4=CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)C4=CC[C@H]3C2(C)C)ccc1O ZINC000238750549 KK Annotated Anodyne Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2SCc1ccccc1 ZINC000238750584 KK Annotated Clean C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(C)=CC[C@@]3(C)[C@H](C)C[C@]2(O)C=C(C)C(=O)O2)[C@@]1(C)CCC(=O)OCC ZINC000238750626 KK Annotated Mild COc1cc2c(cc1OC)[C@H](Cc1ccc(OC3=C[C@@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2 ZINC000238750662 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC=C3C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238750668 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(OC)cc(O)c([C@@H](c3ccc(O)cc3)[C@H](C)[C@@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000238750682 KK Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@H](O)[C@]23C(=C[C@@H](OC(=O)CCCCCCC)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000238750734 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C\C=C(C)/C=C\C=C\C(C)=C/C=C\C(C)=C/C=C1/C(C)=CC(=O)CC1(C)C ZINC000238750746 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]2O ZINC000238750782 KK Annotated Reactive COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1cc(ccc1O)C[C@H]3NCC2)N(C)CC4 ZINC000238750793 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238750873 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC)cc2c(c1OC)C[C@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238750901 KK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(COC(=O)/C=C/[C@@H](C)[C@H]4CC[C@H](C)[C@H]4C(=O)OC)CCC[C@]23C)C1 ZINC000238750938 KK Annotated Mild CCCCCC[C@H](/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)OC3=C[C@]12O)COC(C)=O ZINC000238750959 KK Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1 ZINC000238750960 KK Annotated Mild CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000238750961 KK Annotated Anodyne CC/C=C\CCCCCCCCCCCCC[C@H](O)C[C@H]1C[C@H](O)C[C@@]2(C[C@@H]3OC(=O)C=C[C@@H]3O2)O1 ZINC000238750995 KK Annotated Anodyne O=C1C=C[C@]23[C@H](C1)Oc1cc(O)cc4c1[C@H]2[C@H](c1cc(O)cc2c1[C@@H]4[C@H](c1ccc(O)cc1)O2)[C@@H](c1cc(O)cc2c1[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O2)[C@@H]3c1ccc(O)cc1 ZINC000238750997 KK Annotated Mild CC1=C(C#C/C(C)=C/C=C/C=C/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000238751002 KK Annotated Mild COc1cc(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)Cc2cc(OC)c(OC(C)=O)c(C3=CC(/C=C/COC(C)=O)=C[C@H](OC)[C@@H]3OC(C)=O)c2)ccc1OC(C)=O ZINC000238751090 KK Annotated Anodyne CC[C@@]1(C)CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@@]23C(=O)OC[C@@H]2O[C@H](Oc3cc4cc(C)cc(C)c4cc3OC)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000238751093 KK Annotated Anodyne CC(=O)O[C@](C)([C@H]1CC[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C)[C@@H]1OC(=O)C2CC1C2 ZINC000238751134 KK Annotated Anodyne CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2ccc(O)cc2)[C@H](c2ccc(O)cc2O)C1 ZINC000238751135 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]2C[C@@H]1C[C@@]31C(=O)Oc2cc3c(cc21)CC[C@@H]1C(C)(C)CCC[C@]31C ZINC000238751143 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)C1=O ZINC000238751174 KK Annotated Mild C=C[C@@](C)(O)CC/C=C(\C)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC=C(C)C ZINC000238751179 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)/C(=C(C)/C=C/C=C(C)/C=C/C=C(/C)C(=O)O)C(=O)C[C@H]32)C1(C)C ZINC000238751189 KK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(C)=O)C[C@H]1C ZINC000238751223 KK Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@@H]21 ZINC000238751265 KK Annotated Anodyne C=C1CCC[C@H]2[C@@]1(CC[C@@]1(C)[C@H](C)CC=C3[C@@H]1CCCC3(C)C)CC[C@H](C)[C@]2(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000238751303 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]23C[C@@]4(CCC(C)(C)C[C@]4(C)O)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000238751349 KK Annotated Mild C=C(C)[C@H]1CC=C(CCC[C@@H](C)CO[C@@H]2OC[C@@H](OC(=O)/C(C)=C/CCC3=CC[C@@H](C(=C)C)CC3=O)[C@H](O)[C@H]2O)CC1 ZINC000238751368 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCCCCCCCCO[C@H](CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238751399 KK Annotated Mild CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)[C@@]46CCN7CCC[C@]8(CC[C@@]4(N5)[C@H](C(=O)O)C8)[C@H]76)C1)[C@H]32 ZINC000238751454 KK Annotated Anodyne Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3O)cc1 ZINC000238751470 KK Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@H](C)[C@H]3OC(=O)c1ccccc1)OCO2 ZINC000238751510 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)C[C@H]1c3cc4c(cc3CC[N+]1(C)[O-])Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000238751532 KK Annotated Bother C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@]12O)C[C@@]1(CCN2[C@H](c4ccoc4)CC[C@@H](C)[C@]2(O)C1)CS3 ZINC000238751555 KK Annotated Anodyne C=C/C(=C/C[C@@]1(C)[C@@H](C)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H](O)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O)CO ZINC000238751575 KK Annotated Mild COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(OC)c1Oc1cc3cc4c5c(cc(OC)c(OC)c5c3cc1OC)CCN4C)N(C)CC2 ZINC000238751577 KK Annotated Bother C[C@@H]1N[C@H](CCCCCCCCCCC/C=C(/C=O)CCCCCCCCCC[C@@H]2CC[C@H](O)[C@H](C)N2)CC[C@@H]1O ZINC000238751596 KK Annotated Reactive O=C1C=CC(=C2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)cc4[C@H]2[C@@H]2c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)O[C@H]3c2ccc(O)cc2)C=C1 ZINC000238751656 KK Annotated Mild Oc1ccc([C@H]2O[C@H](c3cccc(O)c3)[C@@H](c3cc(O)cc(O)c3)[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238751691 KK Annotated Anodyne CC(C)c1cc([C@@H]2O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O2)c([C@@]2(C)CCCC(C)(C)[C@@H]2C=O)cc1O ZINC000238751732 KK Annotated Mild C=C(C)CC[C@H](C[C@@]1(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C(O)C2=C1O[C@H](C)[C@H](C)C2=O)C(=C)C ZINC000238751751 KK Annotated Mild CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1O)[C@@H]23)OCO4 ZINC000238751764 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCC2=C(C)C(=O)c3ccccc3[C@@H]2O1 ZINC000238751921 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)ccc3[C@@H](c3c(O)cc(O)c([C@H]4c5ccc(O)cc5O[C@H](c5ccc(O)cc5)[C@@H]4O)c3/C=C/c3ccc(O)c(O)c3)[C@@H]2O)cc1 ZINC000238751937 KK Annotated Clean CC(=O)O[C@H]1CC[C@@H]2[C@]3(OO[C@@H](C[C@H]4[C@@]2(C)CC[C@@]2(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]42C)O3)C1(C)C ZINC000238751959 KK Annotated Reactive CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H](CCCCN2Cc4c(cc(O)c5c4O[C@](C)(CC/C=C(\C)CCC=C(C)C)[C@H](O)C5)C2=O)C(=O)O)C3=O)C[C@H]1O ZINC000238752036 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(=O)[C@H]3C(C)(C)CCC[C@]43C)O1)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238752045 KK Annotated Mild C[Si](C)(C)OC(=O)[C@H]1[C@H](c2ccc(O[Si](C)(C)C)cc2)[C@H](C(=O)O[Si](C)(C)C)[C@H]1c1ccc(O[Si](C)(C)C)cc1 ZINC000238752097 KK Annotated Reactive CO[C@@H]1C=C(CC[C@H]2/C(=C/OS(=O)(=O)O)CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]23C)[C@@H](OC)O1 ZINC000238752103 KK Annotated Anodyne CC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@H](OS(=O)(=O)O)[C@@H](C)CCC/C(C)=C\Cc1cc(O)ccc1O ZINC000238752116 KK Annotated Anodyne CCO[C@H]1[C@H](O)C2=C(OC1(C)C)[C@]1(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C2=O)C1=O ZINC000238752131 KK Annotated Mild CCOC(=O)Oc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C=O)c(OC(=O)OCC)c3)c(OC(=O)OCC)c2)c(OC)c1 ZINC000238752161 KK Annotated Anodyne CC(=O)OC1=C(CC=C(C)C)C(=O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@]1(C(=O)c1ccccc1)C2=O ZINC000238752166 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)c(-c4c(OC(C)=O)cc(OC(C)=O)cc4OC(C)=O)c3OC(C)=O)c2OC(C)=O)c1 ZINC000238752169 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000238752185 KK Annotated Mild COc1cc(O)cc([C@H]2c3c(cc(OC)c4c3CCc3cc(O)ccc3-4)O[C@@H]2c2ccc(O)c(OC)c2)c1 ZINC000238752212 KK Annotated Anodyne COc1ccc([C@@H]2c3c(cc(OC)c4c3O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H](OC(C)=O)C4)O[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2OC(C)=O)c(OC)c1 ZINC000238752216 KK Annotated Anodyne CC(C)=CCC1=C2O[C@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000238752237 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000238752297 KK Annotated Anodyne COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000238752313 KK Annotated Mild C/C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000238752370 KK Annotated Clean COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cccc(c1)Oc1ccc(cc1)CC2=NCC3)N(C)CC4 ZINC000238752385 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(O)C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238752437 KK Annotated Anodyne Oc1ccc([C@H]2Oc3c(O)cc([C@H]4c5cc(/C=C/c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6)[C@@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238752445 KK Annotated Anodyne CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O ZINC000238752505 KK Annotated Reactive CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@]24OC[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]43C)C1(C)C ZINC000238752545 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000238752552 KK Annotated Mild COC(=O)CCC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(COC(=O)CCC(=O)OC)C(C)=CCC[C@@H]21 ZINC000238752556 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc4c(c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2O)C5)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)O4)cc1 ZINC000238752567 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3ncsc23)NC(=O)C1 ZINC000238752575 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cccc(c1)Oc1ccc(cc1)CC2=NCC3)N(C)CC4 ZINC000238752618 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](O)[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000238752619 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H]1CO[C@H](CCCCCCCCCCCCCC)[C@H]1O ZINC000238752631 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3cccc(O)c3)=C2O)C1(C)C ZINC000238752660 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238752708 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H](C(C)(C)O)[C@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238752725 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@@](C)(O)C/C=C/[C@@](C)(O)COC(C)=O)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238752737 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]2c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3)[C@H]42)cc1 ZINC000238752744 KK Annotated Anodyne C/C=C(\C)Cc1cccc2c(C3=C(OC)C(=O)C(c4c(/C=C/C(C)C)[nH]c5ccccc45)=C(OC)C3=O)c(/C=C/C(C)C)[nH]c12 ZINC000238752756 KK Annotated Mild CCC1=C(C)/C2=C/c3[nH]c(c(C)c3CC)/C=C3\N=C([C@H](CCC(=O)O)[C@H]3C)[C@H]3[C@@H]4N/C(=C\C1=N2)C(C)=C4C(=O)[C@@H]3C(=O)OC ZINC000238752759 KK Annotated Mild COC(=O)c1ccc(/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)CCC(C)(C)OC)c(C)c1C ZINC000238752767 KK Annotated Mild COc1cc2c(cc1O)CCN(C)[C@H]2Cc1ccc(OC2=C[C@@]3(C=CC2=O)C[C@@H]2c4c(cc(OC)c(O)c43)CCN2C)cc1 ZINC000238752781 KK Annotated Mild CO/C1=C\c2ccc(O)cc2[C@H](c2cc(O)cc(O)c2)[C@@H](OC)c2cc(O)ccc2-c2c(O)cc(O)cc21 ZINC000238752843 KK Annotated Anodyne CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O[C@H]3c4cc(C(C)C)c(O)c(O)c4[C@@]45CCCC(C)(C)[C@@H]4[C@@H]3OC5=O)CCCC(C)(C)[C@@H]1CC2 ZINC000238752903 KK Annotated Clean C=C(C)CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)/C(=C(/O)c3ccccc3)C(=O)[C@]3(CC=C(C)C)C[C@@]1(C)O[C@]23O ZINC000238752926 KK Annotated Mild C[C@@H]1N[C@H](CCCCCCCCCCC2=C[C@H](CCCCCCCCCC[C@H]3CC[C@H](O)[C@@H](C)N3)[C@H]3CCCN3C2)CC[C@@H]1O ZINC000238752941 KK Annotated Anodyne Oc1ccc([C@H]2Oc3ccc(/C=C4\c5cc(O)cc(O)c5[C@@H](c5ccc(O)cc5)[C@@H]4c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238752949 KK Annotated Anodyne CCc1c(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)c(CC)c(O)c8c(c1O)c2c(c34)c(c65)c78 ZINC000238752991 KK Annotated Bother CC[C@H](C)CCCCCCCCCCCCCCCCCCCC[C@H](C)[C@H](C)CCCCCCCCCO ZINC000238753006 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3C[C@H]2C(C)(C)O1)C[C@H]1CC[C@]2(O)C3=CC(=O)[C@H]4O[C@]3(CC[C@@]2(C)[C@]51C)OC4(C)C ZINC000238753082 KK Annotated Mild COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@@]3(CO)C[C@]45CC[C@@H]6C(C)(C)CCC[C@]6(C)[C@@H]4CC[C@H]3C5)cc3c(c12)OCO3 ZINC000238753088 KK Annotated Bother C=C1[C@H](OC(=O)CCCCCCCCCCC)[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)[C@]2(O)CC[C@@H]1C3 ZINC000238753098 KK Annotated Mild CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc([C@H](c6ccc(O)c(OC)c6)[C@H](CO)c6ccc(O)c(OC)c6)c(OC)cc5c4CCN(C2)[C@@H]13 ZINC000238753104 KK Annotated Anodyne CCCCC/C=C/C=C/C(=O)O[C@H]1[C@H](O)C[C@H](c2ccc3c(c2O)C(=O)c2cc4c(O)cc(C)cc4c(O)c2C3=O)O[C@@H]1C ZINC000238753172 KK Annotated Clean Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238753183 KK Annotated Anodyne CC(=O)c1cc(-c2c(C(C)=O)cc3c(=O)c4cc(O)c(O)cc4oc3c2C(C)=O)cc(Oc2cc(O)c(O)cc2O)c1O ZINC000238753196 KK Annotated Clean CC(C)=CC[C@@H]1C[C@]23C[C@@]4(CCC(C)(C)C[C@@]4(C)O)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000238753223 KK Annotated Mild COc1ccc(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1Cl ZINC000238753260 KK Annotated Bother CCC1=C(C)/C(=C/c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(C)=C4CC)C(C)=C3CCC(=O)OC)c(CCC(=O)OC)c2C)NC1=O ZINC000238753263 KK Annotated Anodyne C=C(C)[C@H](C/C=C(\C)C(=O)O)C[C@]1(CC=C(C)C)C(O)=C(C(=O)[C@H](C)CC)C(=O)C2=C1OC(C)(C)C=C2 ZINC000238753278 KK Annotated Mild C/C=C(\C)[C@@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)[C@@H](C)c1ccc(C)c(=O)o1 ZINC000238753328 KK Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO)C/C=C/C(C)(C)O ZINC000238753332 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC=C4[C@]5(C)C[C@@](C)(C(=O)O)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]12C ZINC000238753344 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc(O)cc4[C@H]4c5cc(O)cc6c5[C@H](c5cc(O)cc(O)c5[C@H]4c4ccc(O)cc4)[C@@H](c4ccc(O)cc4)O6)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238753368 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccc(O)c(O)c4)c2O)CC(C)(C)C=C3)c1O ZINC000238753381 KK Annotated Mild CC1(C)O[C@]2(C=Cc3c(cc4occc4c3OC[C@@H](O)C(C)(C)O)O2)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12 ZINC000238753398 KK Annotated Anodyne C=C1CC[C@H]2[C@]3(C)CC[C@H](OC(=O)/C=C/C=C/C=C/[C@H](C)CC)C(C)(C)O[C@@H]3CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000238753433 KK Annotated Mild CC(C)=CCc1c(O)ccc([C@@]23Oc4cc(O)ccc4[C@@H]4CC(C)=C[C@@H](c5c(O)cc(/C=C/c6ccc(O)cc6O)cc5O2)[C@H]43)c1O ZINC000238753452 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCC(=O)C(=O)CCCCc1c2ccc(OC)cc2c(C)c2c(O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@H]3O)cccc12 ZINC000238753496 KK Annotated Mild COc1cc(/C=C2/c3cc(O)cc(O)c3[C@@H](c3ccc(O)cc3O)[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238753526 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@H]2C=CC3=C(C(=O)O[C@@]3(C)O)[C@@]12C ZINC000238753616 KK Annotated Anodyne C=C1CC[C@@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000238753680 KK Annotated Mild CCCCCCCCCCCCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238753688 KK Annotated Mild C=C(CC[C@H](C(=O)O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OCC)C3=CC[C@@]12C)C(C)C ZINC000238753690 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000238753691 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCC[C@H]5O[C@@](O)(CCN)[C@@H](O)N(CCCN)C5=O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000238753760 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCC[C@H]5O[C@@](O)(CCN)[C@@H](O)N(CCCN)C5=O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000238753772 KK Annotated Anodyne COC(=O)CCCCCCCC[C@H](I)CCCCCCOC(=O)CCCCCCCC[C@H](I)CCCCCCI ZINC000238753774 KK Annotated Reactive NCCc1c2c(nc3c(O)cccc13)CCCCN1C[C@H]3C=C4CC/C=C\C/C=C\C/C=C\CCN5CC[C@H]3[C@@](CC/C=C\2)(C5)[C@@H]41 ZINC000238753778 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000238753792 KK Annotated Mild COc1cc(/C(Br)=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)O)ccc1Br ZINC000238753865 KK Annotated Bother CC(=O)O[C@H]1C[C@@H](OC(C)=O)[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 ZINC000238753866 KK Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CCCC(=O)CC(=O)N1CC(OC)=CC1=O)OC ZINC000238753887 KK Annotated Mild CC[C@@H](C)C(=O)OC/C(C)=C\CC[C@H](C)C1=C(O)C(=O)C(C)=C(C2=C(C)C(=O)C(O)=C([C@@H](C)CC/C=C(/C)COC(=O)[C@H](C)CC)C2=O)C1=O ZINC000238753892 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C1=C(CCC(C)(C)O1)C2=O ZINC000238753901 KK Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CCC/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC ZINC000238753902 KK Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C/COC(=O)CC(C)C)cc3[C@@H]2COC(=O)CC(C)C)ccc1O ZINC000238753922 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238753923 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c2c(c3c(c1OC)[C@H](c1ccc(OC)cc1OC)[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O3)C[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238754065 KK Annotated Anodyne Oc1ccc([C@H]2[C@@H]3c4c(c(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)[C@H]2c2c(c(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@H]3c2ccc(O)cc2)cc1 ZINC000238754080 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000238754096 KK Annotated Anodyne C=C(C)[C@H]1CC=C(CC/C=C(\C)C(=O)O[C@@H]2CO[C@@H](OC[C@H](C)CCCC3=CC[C@H](C(=C)C)CC3)[C@H](O)[C@H]2O)CC1 ZINC000238754131 KK Annotated Mild CCO[C@@H]1[C@H](O)C2=C(OC1(C)C)[C@]1(C(=O)c3ccccc3)C(=O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000238754183 KK Annotated Mild COc1ccc(C(=O)O[C@@H]2CC[C@]3(C)C4=C(C=C[C@H]3C2(C)C)[C@@]2(C)CC[C@@]3(C)CC[C@@](C)(COC(C)=O)C[C@H]3[C@]2(C)CC4)cc1 ZINC000238754225 KK Annotated Anodyne Cc1c(O)c2c(=O)c3c(O)c(C(C)C)c(O)c4c5c(O)c(C(C)C)c(O)c6c(=O)c7c(O)cc(O)c8c(c1O)c2c(c34)c(c78)c65 ZINC000238754247 KK Annotated Bother C=C1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@H]1C[C@H]1CCC(=C)[C@@H](CC/C(C)=C/COC=O)[C@]1(C)C(=O)O ZINC000238754268 KK Annotated Mild CC/C=C\C[C@H](O)CC[C@H](O)[C@H](O)CCCCCCCC(=O)OCC(=O)c1ccc(Br)cc1 ZINC000238754285 KK Annotated Anodyne O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@H]1Cc1ccc(O)cc1 ZINC000238754380 KK Annotated Anodyne C=C[C@@](C)(/C=C/[C@H](C)CC[C@@H](C)C(=C)CC[C@@H](C)/C(=C\C)C(C)C)CC[C@@H](C)C(=C)CC[C@@H](C)C(=C)C ZINC000238754388 KK Annotated Mild CO/N=C1\Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2OC)C/C(=N\OC)C(=O)NCCc2ccc(OC)c(c2)Oc2ccc(cc2Br)CCNC1=O ZINC000238754394 KK Annotated Mild 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](NC(=O)c1ccccc1)C4(C)C)N(C)C ZINC000238754419 KK Annotated Anodyne Oc1cc(O)cc(Cc2c(O)cc(O)c3c2Oc2c(O)cc4oc5c(Oc6c(O)cc(O)cc6O)c(O)cc(O)c5c4c2O3)c1 ZINC000238754439 KK Annotated Anodyne CN[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)COC(=O)c1ccccc1 ZINC000238754550 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000238754570 KK Annotated Anodyne O=C(O)c1cc2c(-c3c(O)c(O)c(-c4c(O)c(O)c(-c5c(O)c(O)cc6cc(C(=O)O)[nH]c56)c5cc(C(=O)O)[nH]c45)c4cc(C(=O)O)[nH]c34)c(O)c(O)cc2[nH]1 ZINC000238754582 KK Annotated Clean Oc1ccc([C@@H]2c3cc(O)ccc3[C@H]3c4c(O)cc(O)cc4[C@@H]2c2c(O)cc(O)c4c2[C@@H]3[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000238754607 KK Annotated Anodyne COC(=O)[C@@]12C(=O)C3=C(CC[C@@H](C4=CC(=O)[C@@]5(C(=O)OC)[C@H](C)CC[C@@]5(C)[C@@H]4C)C3)[C@@H](C)[C@]1(C)CC[C@H]2C ZINC000238754614 KK Annotated Mild Oc1ccc([C@@H]2Oc3ccc(/C=C\c4cc(O)c5c(c4)O[C@@H](c4ccc(O)cc4)[C@@H]5c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238754641 KK Annotated Anodyne CCCCCCC/C=C/C(C)=C/CC/C=C/[C@H](O)[C@@H](CO)NC(=O)[C@H](O)CCCCCCCCCCCCCCCCCCCCC ZINC000238754654 KK Annotated Mild CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000238754677 KK Annotated Mild CC(=O)Oc1cc(/C=C/c2ccc3c(c2)O[C@H]2c4cc(OC(C)=O)c(OC(C)=O)cc4-c4c(OC(C)=O)cc(OC(C)=O)cc4[C@@H]2O3)cc(OC(C)=O)c1 ZINC000238754688 KK Annotated Anodyne C=C(C)[C@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C(O)C3=C2O[C@H](C)[C@H](C)C3=O)C1(C)C ZINC000238754705 KK Annotated Mild CC(=O)O[C@@H]1CC(C)=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C1 ZINC000238754723 KK Annotated Mild CCCCCCCCCCCCCCCc1cc2c(oc3c(OC)c(CCCCCCCCCCCCCCC)ccc32)c(OC)c1OC ZINC000238754724 KK Annotated Mild C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](C)O2)O1)C[C@@H](C)/C=C/C=C1/COC(=O)c2cc(C)c(O)cc21 ZINC000238754734 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C(O)OC2=C([C@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000238754740 KK Annotated Mild CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(COC(=O)c1cc2c(c4c1c([N+](=O)[O-])cc1ccccc14)OCO2)C3 ZINC000238754742 KK Annotated Bother C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(CC[C@H](C)[C@@H](C)O2)O1)C[C@@H](C)/C=C/C=C1\COC(=O)c2cc(C)c(O)cc21 ZINC000238754744 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238754780 KK Annotated Reactive COC1=C(CC[C@H](C)[C@H](O)CC[C@H](C)CCCC(C)C)C(=O)c2c(CCC(C)C)c(C)c(C)c(O)c2C1=O ZINC000238754795 KK Annotated Mild CC1(C)C=C2c3cc4c(cc3C[C@H]2C(C)(C)O1)C(=O)C[C@H]1CC[C@]2(O)C3=CC(=O)[C@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@]1(C)C(=O)N4 ZINC000238754797 KK Annotated Mild C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@@H]3O ZINC000238754827 KK Annotated Mild CC1=C[C@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238754849 KK Annotated Anodyne CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000238754854 KK Annotated Bother CCCC/C=C\CCCCCCCCCCC[C@@]12C(=O)C(OC)=CC(=O)[C@]1(O)Oc1cc(OC)c(O)c(CCCCCCCCC/C=C\CCCC)c12 ZINC000238754896 KK Annotated Mild CCC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000238754963 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)[C@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000238754969 KK Annotated Anodyne C=C[C@H]1CN2CC[C@]3(C(=O)Nc4c3ccc(O)c4[C@H]3CCCN3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000238754979 KK Annotated Mild C=C1[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@]3(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C3[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O ZINC000238755016 KK Annotated Mild CCCC(=O)c1c(O)c(CC2=C(O)[C@@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(C(C)=O)C2=O)c(O)c(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)c1O ZINC000238755072 KK Annotated Mild Oc1cc(Cc2c(COCc3cc(O)c(O)c(Br)c3Cc3cc(O)c(O)c(Br)c3Br)cc(O)c(O)c2Br)c(Br)c(Br)c1O ZINC000238755111 KK Annotated Clean COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1c(OC)c2ccc(-c3ccc(O)cc3)oc-2cc1=O ZINC000238755135 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5c(O)cc6c7c5[C@@H]([C@@H]4c4ccc(O)cc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]7[C@@H](c4ccc(O)cc4)O6)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238755136 KK Annotated Anodyne COc1cccc(CCc2cc(O)c(-c3c(O)cc([C@H]4OO[C@@H]4c4cccc(OC)c4)cc3OC)c(OC)c2)c1 ZINC000238755161 KK Annotated Reactive C=C(C)[C@@H]1CC/C(C)=C/CC[C@]2(C=O)[C@@H](CC3=C[C@H]2C/C(C)=C/[C@H](O)c2cc(O)c(cc2O)C/C(C)=C\CC3)Cc2cc(O)cc1c2O ZINC000238755169 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc3c(c2O)C(=O)[C@@]2(O)Oc4cc(O)ccc4[C@@]2(CC=C(C)C)O3)c1O ZINC000238755193 KK Annotated Anodyne C=C(C)[C@@H](CCC=C(C)C)[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccc(O)c(O)c3)(C1=O)C(O)=C(CC=C(C)C)C2=O ZINC000238755198 KK Annotated Mild C=C/C(C)=C/C[C@@H]1[C@]2(C)[C@@H](CC[C@@]1(C)O)[C@](C)(COC(=O)/C=C/c1ccc(OC(C)=O)cc1)CC[C@H]2OC(C)=O ZINC000238755228 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[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 ZINC000238755258 KK Annotated Mild C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000238755265 KK Annotated Anodyne C[C@]1(CO)[C@@H]2CC[C@H](C=O)[C@]23C[C@H]1C(C(=O)O)=C[C@@H]3OC(=O)CCCCCCC/C=C\CCCCCCO ZINC000238755285 KK Annotated Mild C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C(=O)OCc1cn([Si](C)(C)C)c2ccccc12 ZINC000238755346 KK Annotated Reactive C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000238755367 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@H](COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238755392 KK Annotated Anodyne CC(C)=CC[C@@]1(c2ccc(O)cc2O)C(=O)Oc2cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c2C1=O ZINC000238755437 KK Annotated Anodyne C[C@H](CCCCCCC[C@H](C[C@@H]1CCCCCCCCCCC[C@@H](OS(=O)(=O)O)C[C@@H](OS(=O)(=O)O)CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O ZINC000238755457 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(O)C[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000238755479 KK Annotated Anodyne C=C1[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)CC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000238755520 KK Annotated Mild Oc1ccc([C@H]2Oc3ccc([C@H]4Oc5cc(O)cc6c5[C@@H]4c4cc(O)cc(O)c4[C@H](c4ccc(O)cc4)[C@H]6O)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238755586 KK Annotated Anodyne COc1c2c(c(CC=C(C)C)c3oc(=O)c(-c4ccc(OC(C)=O)cc4)c(OC(C)=O)c13)OC(C)(C)C=C2 ZINC000238755617 KK Annotated Anodyne CCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238755648 KK Annotated Mild CCCCCCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)[C@H]1COC(c2ccc(O)cc2)=N1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238755684 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@H](C)C2=O ZINC000238755732 KK Annotated Mild Cc1cc2c(cc1O)oc1c(OC(=O)Cc3ccccc3)c(-c3ccc(O)c(O)c3)c(OC(=O)Cc3ccccc3)c(OC(=O)Cc3ccccc3)c12 ZINC000238755780 KK Annotated Clean COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CC/C(C)=C/COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CC/C(C)=C/CO ZINC000238755793 KK Annotated Anodyne C/C=C(\C)Cc1cccc2c(C3=C(OC)C(=O)C(c4c[nH]c5ccccc45)=C(OC)C3=O)c(/C=C/C(C)C)[nH]c12 ZINC000238755807 KK Annotated Mild C=CCc1ccc(Oc2cc(CC=C)cc(O[C@]3(C)CCC[C@]4(C)CC[C@@H](C(C)(C)O)C[C@@H]43)c2O)cc1 ZINC000238755812 KK Annotated Mild C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c([N+]#N)c1C2=O ZINC000238755862 KK Annotated Reactive CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)/C=C/c3ccccc3)c3c4c2O[C@@H]2c5c(O)c(C)c(O)c(C(=O)/C=C/c6ccccc6)c5OC(C)(C)[C@@H]2[C@H]4CC(C)(C)O3)c1O ZINC000238755865 KK Annotated Mild CC1=CCC[C@H]2[C@@](C)(CC/C(C)=C/COC(=O)CC(=O)OC/C=C(\C)CC[C@]3(C)[C@@H]4CCC=C(C)[C@]4(C)CC[C@H]3C)[C@H](C)CC[C@@]12C ZINC000238755879 KK Annotated Anodyne CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000238755906 KK Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(C[C@@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@H](c4ccc(O)c(OC)c4)O5)cc3[C@H]2CO)ccc1O ZINC000238755913 KK Annotated Anodyne C=C(C)CC[C@@H](C=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C2=C(O)[C@H](C)[C@@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000238755914 KK Annotated Mild C=C[C@@]12C(=O)[C@@](C)(O)[C@@H](C[C@@H]1c1cc(C)cc3c1-c1ccc(O)c(C)c1CC3)C1=C2c2cc(O)c(C)cc2CC1 ZINC000238755921 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3cccc(O)c3)=C1O)C2=O ZINC000238755932 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@]1(C)CC=C(C)C ZINC000238755985 KK Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1/C=C/C1=C(C2=C(/C=C/[C@@H]3C(=C)CC[C@@H]4C(C)(C)CCC[C@@]34C)COC2=O)C(=O)OC1 ZINC000238756001 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@H]5OC[C@]4(C)[C@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@@H](C)N(C)C ZINC000238756007 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(C3=C[C@H](C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000238756044 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC(=O)OCC[C@H](CO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 ZINC000238756074 KK Annotated Mild C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000238756076 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(ccc(OC)c3Oc3c(OC)c(OC)cc4c3[C@H](C2)[N+](C)(CCl)CC4)CC[N+]1(C)CCl ZINC000238756091 KK Annotated Reactive CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(C)(C)O)O[C@H]3CC[C@]2(C)[C@@]51C ZINC000238756144 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@]4(O)[C@]2(O)c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000238756167 KK Annotated Anodyne C/C=C1\CN2CC[C@@H]1[C@@]1(C[C@H]3C[C@H]4/C(=C/C)CN(C)[C@H](Cc5c3n1c1ccccc51)[C@@H]4C(=O)OC)c1[nH]c3ccccc3c1C2 ZINC000238756168 KK Annotated Anodyne COc1cc(OC)c2c(O)c(C(C)=O)c(C)c(-c3c4c(c(O)c5c(OC)cc(OC)cc35)C(=O)C(=O)C(C)=C4)c2c1 ZINC000238756235 KK Annotated Mild CCCCCCCCCCCCCCCc1cc2oc3c(OC)c(CCCCCCC[C@H](O)CCCCCCC)ccc3c2c(OC)c1OC ZINC000238756256 KK Annotated Mild CC1=C[C@H]2c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@@H]23 ZINC000238756286 KK Annotated Anodyne C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@H]1[C@H](OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000238756289 KK Annotated Mild CCc1c([C@H]2[C@@H](C)[C@@H](CC)[C@@H]3C4=C([C@H](CC)c5c(CC)c6n7c5CC[C@H]7CCC6)C[C@@H]5CCC=C(N45)[C@]23CC)c2n3c1CCC[C@H]3CC2 ZINC000238756339 KK Annotated Anodyne C=C(C)C[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000238756345 KK Annotated Mild O=C(O)C[C@@H]1c2c(O)cc(O)c([C@H]3c4c(O)cc5c(c4O[C@H](c4ccc(O)cc4)[C@@H]3O)[C@H]3c4c(O)cc(O)cc4O[C@@](c4ccc(O)cc4)(O5)[C@@H]3O)c2O[C@H](c2ccc(O)cc2)[C@@H]1O ZINC000238756358 KK Annotated Anodyne CC(C)(O)CCc1c(O)cc(CCCCCCCCCCCCCC(=O)c2cc(O)cc(O)c2)cc1O ZINC000238756412 KK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000238756413 KK Annotated Mild CC(C)(O)CCc1c(O)cc(CCCCCCC/C=C\CCCCC(=O)c2cc(O)cc(O)c2)cc1O ZINC000238756426 KK Annotated Anodyne CCCCCCCC(=O)Cc1cc(OC(=O)c2c(O)cc(O)cc2CC(=O)CCCCCCC)cc(O)c1C(=O)OC ZINC000238756437 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2O)OCO3)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@]1(C)O ZINC000238756478 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238756484 KK Annotated Reactive C/C(=C\COC(=O)C[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238756508 KK Annotated Anodyne Cc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c2c1[C@H](C(=O)c1ccc(O)cc1O)[C@H](c1ccc(O)cc1)O2 ZINC000238756518 KK Annotated Mild C=C[C@H]1CN2CC[C@@]3(C(=O)Nc4c3ccc(O)c4[C@H]3CCCN3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000238756537 KK Annotated Mild CCCCCCCC/C=C\CCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@]1(C)COC(c2cccc(O)c2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238756541 KK Annotated Mild CC(=O)c1ccc(O)c(-c2ccc3c(c2O)O[C@]32C[C@@]3(C)Oc4c3ccc(-c3c(O)ccc(C(C)=O)c3O)c4O2)c1O ZINC000238756548 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]23C(=C[C@@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000238756549 KK Annotated Mild C/C=C(/C)C(=O)OCc1c2c(c(OC)c3oc(Cc4c5c(c(OC)c6occ(C)c46)C=CC[C@@H]5C)c(C)c13)C=CC[C@@H]2C ZINC000238756556 KK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)c2ccccc2)=C1O ZINC000238756624 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC)cc2c(c1OC)C[C@H](OC(C)=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 ZINC000238756638 KK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(OO)C2)C(=O)C(C(=O)c2ccccc2)=C1O ZINC000238756642 KK Annotated Reactive COc1cc(/C=C\C(O)=C/C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000238756693 KK Annotated Mild CO/C(=C/C(=O)N[C@@H](C[C@H](C)C(Cl)(Cl)Cl)c1nccs1)C[C@H](C)C(Cl)(Cl)Cl ZINC000238756705 KK Annotated Anodyne COc1cc(/C=C\C(O)=C\C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000238756709 KK Annotated Mild COc1cc(/C=C/C(O)=C\C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000238756722 KK Annotated Mild C=C/C(C)=C\C[C@@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(=O)CCC ZINC000238756737 KK Annotated Anodyne C=C(CCC=C(C)C)CC/C=C(\C)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@H](c2ccc(OC)c(OC)c2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000238756738 KK Annotated Mild C[C@H](CCCCCCC[C@H](C[C@H]1CCCCCCCCCCC[C@H](OS(=O)(=O)O)C[C@H](OS(=O)(=O)O)CCCCCCCCCCCCCC(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O ZINC000238756747 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238756772 KK Annotated Anodyne CC(C)C1=CC2=C(C3=C4C=C(C(C)C)C(=O)C(O)=C4[C@@]4(C)CCCC(C)(C)[C@@H]4C3=O)C(=O)[C@H]3C(C)(C)CCC[C@]3(C)C2=C(O)C1=O ZINC000238756809 KK Annotated Mild CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CN(CCC[C@H](C(=O)O)N2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(\C)CCC=C(C)C)[C@H](O)C5)C2=O)C3=O)C[C@H]1O ZINC000238756816 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(OC)cc([C@@H]4OC[C@@H]5[C@H]4CO[C@H]5c4cc(OC)c(OC(C)=O)c(OC)c4)cc3[C@H]2COC(C)=O)ccc1OC(C)=O ZINC000238756857 KK Annotated Anodyne OC1=CC=C2C(c3c(O)c(O)c4c5c(c(O)ccc35)CC[C@@H]4c3ccccc3)=C(O)C(O)=C3[C@@H](c4ccccc4)CC[C@H]1[C@H]23 ZINC000238756901 KK Annotated Clean COc1cc2c3c(c1)Oc1c(OC)c(OC)c(O)c4c1[C@H](Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000238756984 KK Annotated Anodyne CO[C@@H](c1cc(O)c(O)c2oc3cc(O)cc(O)c3c(=O)c12)[C@H]1[C@H](c2cc(O)c(O)c3oc4cc(O)cc(O)c4c(=O)c23)C=C(C)CC1(C)C ZINC000238756989 KK Annotated Clean CC(C)=CCc1c(O)ccc([C@]23Oc4cc(O)ccc4[C@H]4CC(C)=C[C@H](c5c(O)cc(-c6cc7ccc(O)cc7o6)cc5O2)[C@@H]43)c1O ZINC000238757018 KK Annotated Anodyne C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=C(Br)C[C@H](Br)[C@]1(C)O2 ZINC000238757069 KK Annotated Reactive CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)CC(C)C)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000238757082 KK Annotated Anodyne CC[C@H]1C[N+]23CCc4c([nH]c5c(-c6c(O)ccc7[nH]c8c(c67)CC[N+]67CC[C@H](C[C@@H]86)[C@@H](CC)C7)c(O)ccc45)[C@@H]2C[C@H]1CC3 ZINC000238757094 KK Annotated Bother COc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2c2c(OC)cc(O)cc2[C@@H]2COc3cc(O)ccc3C2)c(O)c1 ZINC000238757116 KK Annotated Anodyne C=C1CC[C@]2(C)C(C)(C)C(=O)[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1COc1c(OC)cc2ccc(=O)oc2c1OC ZINC000238757121 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)O[C@](C)(CCC=C(C)C)C=C6)cc(O)cc23)O1 ZINC000238757127 KK Annotated Anodyne COC(=O)CCc1c(CC(=O)OC)c2cc3nc(cc4nc(c(C)c5[nH]c(cc1[nH]2)c(CCC(=O)OC)c5CC(=O)OC)[C@@](C)(CC(=O)OC)[C@H]4CCC(=O)OC)[C@@](C)(CC(=O)OC)[C@@H]3CCC(=O)OC ZINC000238757130 KK Annotated Bother C=C(CC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=CC[C@H](C(=C)C)[C@@](C)(CCC(=O)OCC)C3=CC[C@@]12C)C(C)C ZINC000238757136 KK Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC ZINC000238757231 KK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H]1C ZINC000238757260 KK Annotated Anodyne CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238757307 KK Annotated Mild CC[C@H](C)C[C@@H](C)/C=C(\C)[C@H]1O[C@@H](c2c3c(cn(C)c2=O)[C@]2(OC)CCC(OC)(OC)C[C@@H]2O3)CC[C@@H]1C ZINC000238757320 KK Annotated Anodyne CC(C)C1=C2[C@@H]3C[C@@H](OC(=O)c4ccccc4)C(COC(=O)c4ccccc4)=CC(=O)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000238757345 KK Annotated Mild C=C/C(=C/C[C@@]1(C)[C@@H](C)[C@H](O)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O)CO ZINC000238757364 KK Annotated Mild COc1ccc([C@H]2Oc3cc(OC)ccc3[C@@H](c3c(OC)cc4c(c3O)C[C@@H](OC)[C@@H](c3ccc(OC)c(OC)c3)O4)[C@@H]2O)cc1 ZINC000238757512 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c(/C=C/c4ccc5c(c4)[C@H](c4cc(O)cc6c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O6)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238757528 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)/C(=C(/O)c3ccccc3)C(=O)[C@]3(CC=C(C)C)C[C@@]1(C)O[C@]23O ZINC000238757532 KK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(COC(=O)/C=C/c5ccc(O)cc5)[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238757596 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238757599 KK 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#CC2=C(C)C=CCC2(C)C)C(C)(C)CC=C1 ZINC000238757617 KK Annotated Mild COC(=O)C[C@@H]1[C@@H](C)c2oc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)cc2[C@H](OC(=O)C(C)C)C1(C)C ZINC000238757638 KK Annotated Anodyne CC[C@]12C=C([C@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@@]56CCN3[C@@H]46)CN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000238757674 KK Annotated Anodyne CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000238757750 KK Annotated Anodyne COc1ccc2c3c(c(=O)n(C)c2c1OC)[C@@H](CC(C)C)[C@H]1[C@@H](O3)c2c(c3ccc(OC)c(OC)c3n(C)c2=O)OC1(C)C ZINC000238757757 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21OC(C)=O ZINC000238757824 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC/C=C(\C)CC/C=C(\C)CC[C@@H]1C(C)=CCCC1(C)C ZINC000238757857 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=CC3=C(CCC4=C5CC6=C(O)C(=O)[C@H](C(C)C)[C@@]6(C)CC[C@]5(C)C[C@H](O)C4=O)C(=O)[C@H](O)C[C@@]3(C)CC[C@@]21C ZINC000238757873 KK Annotated Mild Cc1cc2cc3[nH]c(cc4nc(cc5[nH]c(cc5C)cc1n2)C(C)(C)[C@H]4CCC(=O)O)c(CCC(=O)O)c3C ZINC000238757952 KK Annotated Bother CCCCCCCCCCCCCC(=O)O[C@@]12C(=O)C(C)=C[C@@H]1[C@H]1[C@@]3([C@@H]2C=C(COC(=O)c2ccc(/N=N\c4ccc([N+](=O)[O-])cc4)cc2)C[C@H](OC(C)=O)[C@@H]3C)[C@@]1(O)C(C)(C)O ZINC000238757981 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]1(CC=C(C)C)C(OC)=C(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C1OC ZINC000238757989 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)/C(C)=C\C)[C@@]2(C)[C@@H]3C(=O)C=C(C)[C@H]2[C@@H]3C1(C)C ZINC000238758054 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)/C=C1\c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@@H](C2)N(C)CC3 ZINC000238758063 KK Annotated Anodyne CC(C)=CCC1=C2O[C@@H](C(C)(C)OO)C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000238758099 KK Annotated Reactive COC(=O)c1c(O)c([C@H]2c3ccc(OC)cc3O[C@H](c3ccc(OC)cc3)[C@H]2OC(C)=O)c2c(c1OC)C[C@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238758145 KK Annotated Anodyne COc1c2occ(CO[C@@H]3OCc4coc5c(OC)c6c(C)cccc6c3c45)c2c(C=O)c2cccc(C)c12 ZINC000238758199 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(Oc6cc(O)c(O)c(O)c6)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000238758226 KK Annotated Clean CC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(OCC=C(C)C)cc(O)c(C(C)=O)c2O)[C@@H]1O ZINC000238758234 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)[C@@H](CC(=O)/C(C)=C\C(=O)OC)C(C=O)=CC[C@H]2C1(C)C ZINC000238758283 KK Annotated Reactive C[C@@H](NC[C@@H](C[C@@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@@H](C)C(Cl)(Cl)Cl)c1nccs1 ZINC000238758291 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21 ZINC000238758305 KK Annotated Mild COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(O)c(OC)c3c1[C@@H](C2)N(C)CC3)O4 ZINC000238758328 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5)c(O)c4)c3)c(O)c2)c(O)c1 ZINC000238758340 KK Annotated Clean C=C1C[C@H](OC)CCCCC/C2=C\C(=O)O[C@H](/C=C(/C)CC(=O)O[C@@H](/C=C\C(C)C)[C@@H](C)[C@H](O)C(=O)N2)C/C(C)=C/C=C/1C ZINC000238758384 KK Annotated Mild CC(=O)CCCCCCCCCCCCCCCCO[C@@H](C[C@H]1OC1(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000238758388 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3cc4cc(-c5cc(O)cc(O)c5)oc4cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000238758466 KK Annotated Anodyne CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238758477 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2Cc3cc(OC)c(O)c(OC)c3[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2COC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000238758514 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)C1=C2O[C@@H](C(C)(C)O)C1 ZINC000238758584 KK Annotated Mild CC(C)=CC[C@H]1C[C@]23C[C@]4(C)CCC(C)(C)C[C@@H]4OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000238758594 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)c4c(c2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238758670 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(CCC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)c3c2oc2cc(O)c(O)cc2c3=O)C1(C)C ZINC000238758674 KK Annotated Clean C=C(CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]1[C@@H]2CC[C@]2(C)[C@H]2CC[C@@H](C)[C@@H]12 ZINC000238758702 KK Annotated Mild O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO1 ZINC000238758741 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(OC)cc2CC[C@H]1NC)O3 ZINC000238758766 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](/C=C\C(C)(C)O)C[C@@]2(CC=C(C)C)C(=O)O[C@](CC=C(C)C)(C2=O)[C@@H]1C(=O)C(=O)C(C)C ZINC000238758786 KK Annotated Clean CCCCCCCCCCCCCC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238758799 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](/C=C/C(C)(C)O)C[C@@]2(CC=C(C)C)C(=O)O[C@](CC=C(C)C)(C2=O)[C@@H]1C(=O)C(=O)C(C)C ZINC000238758802 KK Annotated Clean CC[C@@H](C)C[C@@H](C)/C=C/[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C/C=C(C)/C(C)=C/C=O)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238758815 KK Annotated Reactive C/C=C(\C)C(=O)N[C@H](C)C(=O)O[C@@H]1C/C=C/C=C/C=C/[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(/C)[C@H](O)[C@H]1C ZINC000238758834 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2C[C@H](c3ccc(O)cc3O)C(C)=C[C@@H]2c2c(O)ccc(-c3oc4cc(O)cc(O)c4c(=O)c3CC=C(C)C)c2O)c1O ZINC000238758841 KK Annotated Anodyne CC(=O)OC/C(=C\C(=O)O)C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]1(O)C(C)=CC(=O)CC1(C)C ZINC000238758927 KK Annotated Mild CCC1=C(C)/C(=C/c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(C)=C4CC)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O ZINC000238758962 KK Annotated Anodyne COc1c(Cl)c(=O)c2c(O)c(Cl)cc3oc4c(Cl)c(=O)c5c(O)c(Cl)cc(Cl)c5c4c1c32 ZINC000238759043 KK Annotated Bother CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(=O)OC/C=C(\C)CC[C@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C ZINC000238759045 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(c(/C=C/C(=O)O)c3C)c3c4nc(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC ZINC000238759052 KK Annotated Bother CC[C@H](C)CCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1N1C(=O)c2cc3cc4c(cc3cc2C1=O)CCCC4 ZINC000238759057 KK Annotated Anodyne Cc1ccc(C[C@@H](C)CCC[C@@H](C)CCc2c(C)ccc(C)c2C)c(C[C@H](C)CCc2c(C)ccc(C)c2C)c1 ZINC000238759096 KK Annotated Anodyne C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)[C@H](C)CC)[C@@H]2O[C@@H](CC(=O)OC)[C@@](C)([C@H]3CC(=O)OC3(C)C)[C@H]12 ZINC000238759124 KK Annotated Mild C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)/C(C)=C/C)[C@@H]2O[C@H]3CC(=O)OC(C)(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H]12 ZINC000238759139 KK Annotated Mild C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@](C)(OC(=O)C(C)C)C[C@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(=O)C(C)C ZINC000238759155 KK Annotated Mild C/C(=C\CC[C@@](C)(O)[C@H](O)CO)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCCC(C)(C)O ZINC000238759200 KK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(O)=C(CC2=C(O)C(CC=C(C)C)(CC=C(C)C)c3cc4cc(C)cc(O)c4c(O)c3C2=O)C(=O)c2c1cc1cc(C)cc(O)c1c2O ZINC000238759204 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4[C@H](C=C[C@H](NC(=O)c5ccccc5)[C@@]4(C)CO)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238759234 KK Annotated Anodyne CCCCCC(=O)OC[C@]12CCC(=C(C)C)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CC/C(C)=C/[C@@H]2OC(=O)c1cccnc1 ZINC000238759248 KK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(cc4C)cc4[nH]c(cc1n2)c(CCC(=O)OC)c4C)c(CC)c3C ZINC000238759262 KK Annotated Bother C=C1[C@H](OCC(C)C)[C@@H](OCCCCC)[C@@H](O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](O)[C@@H]2[C@H]1OCCCCC ZINC000238759275 KK Annotated Mild CC1(C)O[C@H]2CCC(=O)[C@@]3(C)CC[C@@H]4OC(C)(C)[C@@H](O)CC[C@@]4(C)[C@@H]3CCC(=O)C[C@]2(C)CC[C@@H]1O ZINC000238759279 KK Annotated Anodyne CCCCCCC/C=C\[C@H](O)C#CC#CC(=O)CC[C@@]1(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)Oc2ccccc2C1=O ZINC000238759300 KK Annotated Mild CC(=O)O[C@H](CC1=C(O)C(=O)OC1)[C@]1(C)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@]1(C)O ZINC000238759355 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(OC)cc3c(c2O)[C@@H]([C@H](C)[C@H](C)Cc2ccc(O)cc2)c2cc(O)c(O)cc2O3)cc1 ZINC000238759372 KK Annotated Clean COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@H](C)CCC=C(C)C)=C(C)C1=O ZINC000238759408 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)CC(C)C)=C1O ZINC000238759437 KK Annotated Mild C[C@]1(c2cc(O)cc(O)c2)c2c(cc3c(c2/C=C/c2ccc(O)cc2)[C@](C)(c2cc(O)cc(O)c2)[C@@](C)(c2ccc(O)cc2)O3)O[C@]1(C)c1ccc(O)cc1 ZINC000238759449 KK Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)C[C@@H](C)COC(=O)CCCCCCCCCCCCCCCCC)[C@@H]12 ZINC000238759499 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000238759571 KK Annotated Mild CCCCCCCCCCCCC/C(C)=C/COCCCCCCCC[C@H](C)C[C@H](C)CCC(C)C ZINC000238759579 KK Annotated Mild CC[C@@]1(C)CC[C@H]2[C@@H](CC[C@H]3C(C)(C)CCC[C@]23C(=O)O[C@H]2CO[C@@H](Oc3ccc4c(C)cc(C)cc4c3OC)[C@H](O)[C@H]2O)C1 ZINC000238759590 KK Annotated Anodyne C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000238759599 KK Annotated Anodyne CC1=C[C@H](c2c(O)cc(O)c3c(=O)c(CCC(C)(C)O)c(-c4ccc(O)cc4O)oc23)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238759626 KK Annotated Anodyne CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000238759704 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](OC(C)=O)C(=O)N[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCC)OC(C)=O ZINC000238759705 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCCC(C)C)=C(C)C1=O ZINC000238759737 KK Annotated Mild COc1cc([C@@H](C)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c2c(c1C)CCc1c-2ccc(O)c1C ZINC000238759753 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000238759788 KK Annotated Anodyne COc1cc(O)c2c(c1-c1c(OC)c(/C=C/C(C)C)c(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C(=O)c1cc(C)cc(O)c1C2=O ZINC000238759815 KK Annotated Clean C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@H]1C(C)=CC[C@H]2[C@@H](O)C(=O)C=C[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000238759816 KK Annotated Mild C=Cc1c(C)c2cc3[nH]c(c(CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c3C)c3c4nc(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4C(=O)[C@H]3C(=O)OC ZINC000238759839 KK Annotated Bother COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC/C(C)=C/COC(=O)CCC(=O)OC[C@@H]3CC[C@@]4(C)C(C)=CCC[C@@H]4[C@@]3(C)CC/C(C)=C/CO)[C@H]1CCC=C2C ZINC000238759841 KK Annotated Anodyne C/C(=C\CCc1ccc(C(C)C)cc1)C(=O)O[C@@H]1CO[C@@H](OC[C@H](C)CCCC2=CC[C@H](C(C)(C)O)CC2)[C@H](O)[C@H]1O ZINC000238759864 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(c(CC(=O)O)c4cc(C)c(cc5[nH]c(cc1n2)c(C)c5CC)n4)[C@@H](CCC(=O)O)[C@@H]3C ZINC000238759908 KK Annotated Bother O=C1Oc2cc(O)cc3c2[C@@]1(c1ccc(O)cc1)c1cc(O)cc2c1[C@@H](c1cc(O)cc4c1[C@H]3[C@@H](c1ccc(O)cc1)O4)[C@H](c1ccc(O)cc1)O2 ZINC000238759925 KK Annotated Anodyne CC[C@@]12CCCN3CC[C@@H]4c5cc(Cc6ccc7c(c6)[C@H]6CCN8CCC[C@]9(CC)CC[C@@]6(N7)[C@H]89)ccc5N[C@]4(CC1)[C@H]32 ZINC000238760067 KK Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@H]4[C@H]3O[C@H]21 ZINC000238760093 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c2c(c3c(c1OC)[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H](c1ccc(OC)cc1OC)O3)C[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238760101 KK Annotated Anodyne CCc1oc(=O)c(Cc2c(O)c(C(=O)C=C(C)C)c3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)c(O)c1C ZINC000238760104 KK Annotated Mild CO[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)COc3ccc(C(C)(C)c4ccc(OC[C@H](O)OC)cc4)cc3)cc2)cc1 ZINC000238760116 KK Annotated Anodyne CC1=C[C@H]2c3ccc(/C=C/c4ccc(O)cc4O)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@H](C1)[C@H]23 ZINC000238760122 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)[C@H](c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)O3)cc1 ZINC000238760146 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](Cc1ccc(OC3=C[C@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2 ZINC000238760147 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]1C(=O)C(C)C)C2=O ZINC000238760169 KK Annotated Anodyne C/C=C(\C)[C@@H]1C(C)=C[C@]2(C)C[C@H](C)C[C@H](C)[C@H]2[C@H]1C(=O)C1=C[C@](O)(Cc2c[nH]c3ccccc23)NC1=O ZINC000238760245 KK Annotated Mild Oc1ccc([C@H]2Oc3c4c(cc(O)c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2c3c(cc(O)cc3O[C@@H]2c2ccc(O)cc2)C[C@H]4c2ccc(O)cc2O)cc1 ZINC000238760285 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/C[C@]12C[C@@H]3[C@H](C(C(=O)c4ccc(O)c(O)c4)=C1O)[C@@](C/C=C(/C)CCC=C(C)C)(OC3(C)C)C2=O ZINC000238760299 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](O)(CC[C@H]5C(C)(C)C(=O)CC[C@@]54C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238760308 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Oc2c(O)c3c(c(C(=O)/C=C/c4ccc(O)cc4)c2O)CC(C)(C)C=C3)c1O ZINC000238760359 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(CC3=C[C@H]4[C@H](CC3)[C@](C)(OO)CC[C@@H]4C(C)C)C(=O)[C@]1(C(=O)C(C)C)C2=O ZINC000238760388 KK Annotated Reactive Cc1cc2c(cc1O)oc1c(OC(=O)c3ccc(O)cc3)c(-c3ccc(O)cc3)c(OC(=O)Cc3ccccc3)c(OC(=O)Cc3ccccc3)c12 ZINC000238760394 KK Annotated Anodyne CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C/C=C/C=C\C=C\C=C\C=C\c1ccc(O)c(Cl)c1 ZINC000238760468 KK Annotated Bother CC(C)=CCOc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000238760489 KK Annotated Anodyne COc1cc(/C=C(\Oc2cc3c(cc2OC)C=C(C(=O)NCCc2ccc(O)cc2)[C@H](C(=O)NCCc2ccc(O)cc2)[C@H]3c2ccc(O)c(OC)c2)C(=O)NCCc2ccc(O)cc2)ccc1O ZINC000238760500 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](C)CC[C@@]2(COC(=O)CCC(=O)OC)C(C)=CCC[C@@H]21 ZINC000238760507 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(-c2cc(CCCCCCC[C@H](O)CCCCCCC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000238760527 KK Annotated Mild Cc1cc2oc3c(c2cc1Cc1c(-c2ccc(O)cc2O)oc2cc(O)ccc12)COc1cc(O)ccc1-3 ZINC000238760625 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238760641 KK Annotated Mild Oc1ccc([C@@H]2[C@H]3c4c5c(cc(O)c4[C@@H](c4ccc(O)cc4)[C@@H]2c2c3c(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)O[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)cc1 ZINC000238760713 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(=CC[C@@H]6C(C)(C)[C@@H](OC(C)=O)CC[C@@]65C)C[C@]4(C)CC[C@H]3C2(C)C)ccc1OC(C)=O ZINC000238760735 KK Annotated Anodyne CC1(C)C2=CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1OC(=O)c1ccccc1 ZINC000238760770 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@]1(O)Oc1cc3c(c(O)c1C2=O)[C@@H]1C=C(C)C[C@@](c2ccc(O)cc2O)(C1)O3 ZINC000238760823 KK Annotated Anodyne CC1(C)c2[nH]c(Br)nc2/C=C\N2C(=O)C[C@H]3c4ccc(Br)cc4N[C@]32C[C@H]1Cl ZINC000238760861 KK Annotated Reactive COc1ccc([C@@H]2c3c(cc(OC)c4c3O[C@H](c3ccc(OC)c(OC)c3)[C@@H](OC(C)=O)C4)O[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2OC(C)=O)c(OC)c1 ZINC000238760878 KK Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@@]5(CCCCO5)N=C(N2)N43)O1 ZINC000238760912 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c(OC)c2c(c3c1O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@H]3c1ccc(OC)cc1OC)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)C2 ZINC000238760928 KK Annotated Anodyne CCC1=C(C)C(=O)N/C1=C\C1=N/C(=C\c2[nH]c(/C=C3\NC(=O)C(C)=C3CC)c(C)c2CCC(=O)O)C(CCC(=O)O)=C1C ZINC000238760953 KK Annotated Anodyne CCCCCCCCCC1=CC(=O)C=C(OC)[C@@]12C(=O)Oc1cc(O)c(C(=O)O)c(CCCCCCC)c12 ZINC000238760961 KK Annotated Mild CCCCCCCCCCCCCCCCC1=C[C@@H](C(=O)OC)[C@@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)C[C@H]2[C@@H]1C(=O)OC ZINC000238760966 KK Annotated Mild CC1=C[C@@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@@H](C(=O)c2cc3c(cc2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000238760978 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC4 ZINC000238761005 KK Annotated Anodyne C=CC(C)(C)n1cc(CC2=C(O)C(=O)C(Cc3cn(C(C)(C)C=C)c4ccccc34)=C(OC)C2=O)c2ccccc21 ZINC000238761011 KK 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#CC2=C(C)C=CCC2(C)C)C(C)(C)CC=C1 ZINC000238761016 KK Annotated Mild CCCCCC/C=C\COC(=O)[C@H](C)CCC[C@@](C)(O)CCC[C@H](C)CCC(=O)C1=C(C)C=CCC1(C)C ZINC000238761083 KK Annotated Mild CCCCCC/C=C/COC(=O)[C@H](C)CCC[C@@](C)(O)CCC[C@H](C)CCC(=O)C1=C(C)C=CCC1(C)C ZINC000238761100 KK Annotated Mild Oc1ccc([C@H]2Oc3cc4c(c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5O)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238761135 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]23C[C@]4(CCC(C)(C)C[C@@]4(C)O)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000238761138 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]23C[C@]4(CCC(C)(C)C[C@]4(C)O)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000238761152 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(C)=O)[C@@H]2OC(C)=O ZINC000238761176 KK Annotated Mild CC(C)=C[C@@H]1Oc2c(O)c(C(C)C)cc3ccc(C)c(c23)[C@H]1[C@@H]1C(C(C)C)=C(O)C(=O)c2c1ccc1c2[C@@H](O)CCC1(C)C ZINC000238761240 KK Annotated Mild COc1cc(O)c(Cc2c(O)c(C)c(OC)c3c2O[C@H](c2ccccc2)CC3)c2c1CC[C@@H](c1ccccc1)O2 ZINC000238761259 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O ZINC000238761310 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)O[C@](C)([C@H](/C=C3\OC(=O)C=C3C)OC(C)=O)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238761343 KK Annotated Anodyne C=C[C@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(COC(=O)CC(=O)OC[C@]4(C)CCC[C@@]5(C)C6=CC[C@@](C)(C=C)C[C@H]6CC[C@H]45)CCC[C@@]23C)C1 ZINC000238761409 KK Annotated Mild C/C=C1\CN2CC[C@@H]1[C@@]1(C[C@H]3C[C@H]4/C(=C/C)CN(C)[C@H](Cc5c3n1c1ccccc51)[C@H]4C(=O)OC)c1[nH]c3ccccc3c1C2 ZINC000238761429 KK Annotated Anodyne C/C(=C\CC[C@H](O)[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238761441 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c([C@H]6C[C@H]7[C@@H](CC)CN[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238761477 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@](C)(OC(C)=O)[C@@H]2CC[C@@]2(C)[C@@H](C)CC[C@@H]3OC(C)(C)[C@]4(O)CC[C@@]32O4)OC1(C)C ZINC000238761490 KK Annotated Anodyne COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2cc(OC)c(O[C@H](COC(C)=O)[C@H](OC(C)=O)c3ccc(OC(C)=O)c(OC)c3)c(OC)c2)ccc1OC(C)=O ZINC000238761512 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@H]4C(C)(C)C(=O)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238761542 KK Annotated Anodyne COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(CCBr)CC2)CCN1CCBr ZINC000238761545 KK Annotated Reactive C=CC1=C(C)C(/C=C2\NC(=O)C(CCC(=O)OC)=C2C)=N/C1=C\c1[nH]c(/C=C2\NC(=O)C(CCC(=O)OC)=C2C)c(C=C)c1C ZINC000238761549 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238761552 KK Annotated Mild C=CC1=C(C)C(/C=C2\NC(=O)C(CCC(=O)OC)=C2C)=N/C1=C/c1[nH]c(/C=C2\NC(=O)C(CCC(=O)OC)=C2C)c(C=C)c1C ZINC000238761563 KK Annotated Anodyne C=CC1=C(C)C(/C=C2/NC(=O)C(CCC(=O)OC)=C2C)=N/C1=C\c1[nH]c(/C=C2\NC(=O)C(CCC(=O)OC)=C2C)c(C=C)c1C ZINC000238761580 KK Annotated Anodyne C=CC1=C(C)C(/C=C2/NC(=O)C(CCC(=O)OC)=C2C)=N/C1=C/c1[nH]c(/C=C2\NC(=O)C(CCC(=O)OC)=C2C)c(C=C)c1C ZINC000238761598 KK Annotated Anodyne COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccccc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000238761626 KK Annotated Mild COc1cc(O)c(Cc2ccc(O)cc2)c(CCc2ccc(Cc3ccc(O)cc3)c(O)c2)c1Cc1ccc(O)cc1 ZINC000238761650 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(O)c(OC)c1OC)C[C@H](C)[C@H](C)[C@@H]2OC(=O)c1ccccc1 ZINC000238761661 KK Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(=O)C(/N=c1\c(=O)c3c(O)cc(C)c4c5c(c(O)c(c1=O)c43)C(C)(C)[C@@H](C)O5)=C2O ZINC000238761673 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)c3c(C(C)C)coc3[C@]([C@H](CC(=O)O)c3ccccc3)(C2=O)C1(C)C ZINC000238761678 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C=C(C)C)[C@]4(CC[C@]23C)C[C@H](O)OC4=O)C1(C)C ZINC000238761682 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c2c1C[C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C ZINC000238761719 KK Annotated Anodyne CCCCCCCCCCCC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238761771 KK Annotated Mild CC(C)=CC[C@]12Oc3cc(O)c(C4=C[C@]5(C)C[C@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000238761803 KK Annotated Anodyne CC(=O)O[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(=O)O)[C@H]3CC[C@]2(C)[C@H]1C ZINC000238761809 KK Annotated Anodyne CCc1oc(=O)c(Cc2c(OC(C)=O)c(C/C=C(\C)CCC=C(C)C)c(OC(C)=O)c(C(=O)C(C)C)c2OC(C)=O)c(OC(C)=O)c1C ZINC000238761812 KK Annotated Anodyne Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)CC/C(Cl)=C\CCc1cc(c(Br)cc1O)O2 ZINC000238761813 KK Annotated Anodyne C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3OC(=O)CC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000238761829 KK Annotated Mild C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000238761874 KK Annotated Anodyne CC(=O)Oc1c(OC(=O)/C=C\[C@H]2O[C@@H]2C)c(-c2ccc(O)cc2)c(OC(=O)/C=C\[C@H]2O[C@@H]2C)c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c1-c1ccc(O)cc1 ZINC000238761896 KK Annotated Anodyne CC1=C[C@@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238761976 KK Annotated Anodyne C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(COC(=O)C[C@H]4OC(=O)[C@@H]5[C@@H](C)CC[C@@H]5[C@]4(C)O)CCC[C@@]32C)C1 ZINC000238762051 KK Annotated Mild C/C=C(/C)C(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@H]1CC(C)(C)[C@@H]2CC=C(C)[C@@H](CC/C(C)=C\C(=O)O)[C@@]2(C)C1 ZINC000238762067 KK Annotated Anodyne C=C/C=C(\C)CC[C@@H]1C/C=C\C=C(\C)[C@@H](OP(=O)(O)O)CCC/C=C\C=C/C=C/C[C@@H](C)C(=C)CC(=O)O1 ZINC000238762074 KK Annotated Mild CC(C)=CCc1c(O)ccc2cc(-c3cc(O)c([C@@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3)oc12 ZINC000238762081 KK Annotated Anodyne O=C([C@H]1[C@H](c2ccccc2)[C@H](C(=O)N2C=C([C@H]3CCCCN3)CCC2)[C@H]1c1ccccc1)N1C=C([C@@H]2CCCCN2)CCC1 ZINC000238762097 KK Annotated Anodyne CC(=O)Oc1cccc([C@]23CC4=CN(CCc5ccc(c(OC(C)=O)c5)-c5ccc(OC(C)=O)cc54)[C@H]2Cc2cc(OC(C)=O)cc(OC(C)=O)c23)c1 ZINC000238762107 KK Annotated Anodyne COc1ccc2c(c1)[nH]c1c3[n+](cc(OC)c12)[C@H](c1ncc(OC)c2c1[nH]c1c(OC)cccc12)CCC3 ZINC000238762110 KK Annotated Anodyne COc1ccc([C@@H]2c3c(c4c(c5c3O[C@H](c3ccc(OC)cc3OC)[C@H](O)[C@H]5c3ccc(OC)c(OC)c3)O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)C4)O[C@@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238762119 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]23C[C@@H](C=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000238762198 KK Annotated Mild C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@@](C)(COC(=O)CC(=O)OC[C@@]4(C)CCC[C@@]5(C)[C@@H]6CC[C@@](C)(C=C)CC6=CC[C@@H]45)CCC[C@@]23C)C1 ZINC000238762226 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(c3OC)Oc3c(OC)c(OC)cc4c3[C@H](C2)N(C)CC4)CCN1C ZINC000238762251 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OCC ZINC000238762261 KK Annotated Mild C=C1C(=O)C[C@@H]2[C@@H](C[C@@]2(C)COC(C)=O)C(=C)CC[C@H]1OC(=O)[C@H]1CC/C=C(\C)C(=O)C[C@@H]2[C@H]1CC2(C)C ZINC000238762333 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/COC(=O)C[C@@H](O)CCCCCCCCCCCCCCC)C/C(C)=C\CC[C@@]1(CO)O[C@H]21 ZINC000238762355 KK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)c2c(oc3c(C[C@]4(C)[C@@H](C)CC[C@]5(C)C(C)=CCC[C@H]54)c(O)c(O)cc23)C1=O ZINC000238762402 KK Annotated Mild O=C1C=CC(=C2c3c(O)cc(O)cc3-c3c(-c4ccc(O)cc4)oc4cc(O)cc(c34)[C@@H]2[C@@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O4)C=C1 ZINC000238762427 KK Annotated Mild COc1cc2c3c(c1)Oc1c(OC)c(OC)c(OC)c4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000238762429 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=C(O)C(=O)C(C)=C(c2oc(C=C(C)C)cc2CCC/C(C)=C/Cc2c(O)cc(C)cc2O)C1=O ZINC000238762455 KK Annotated Mild CCCCCC(=O)c1c(OC)cc(O)c(CC2=C(O)[C@@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c1O ZINC000238762475 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)CC(C)C)=C1O ZINC000238762483 KK Annotated Mild C[C@H](C[C@@H](C)C(=O)/C=C(\O)c1[nH]c(Br)c(Br)c1Br)C[C@@H](C)C1=N[C@](C)(C(=O)O)CS1 ZINC000238762521 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](OC(=O)/C=C/c6ccc(O)cc6)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1 ZINC000238762574 KK Annotated Anodyne C=C[C@]1(COC(=O)CC(=O)OC[C@@]2(C=C)CC[C@H]3C(=CC[C@@H]4C(C)(C)CCC[C@@]34C)C2)CC[C@H]2C(=CC[C@H]3C(C)(C)CCC[C@]32C)C1 ZINC000238762577 KK Annotated Mild CC(C)=CC[C@]12C[C@@H]3C[C@H]4C(C)(C)[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238762599 KK Annotated Anodyne CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12CC[C@H](/C(=C\C=C\C(C)=C\CC=C(C)C)CO)[C@H]2O ZINC000238762685 KK Annotated Reactive O=C1CCC[C@H]2C[C@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1 ZINC000238762854 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4[C@@H](c5cc(O)cc(O)c5)[C@H](c5ccc(O)cc5)O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238762861 KK Annotated Anodyne O[C@H]1/C=C/C[C@]2(O)C=C(c3nccc4c3[nH]c3ccccc34)[C@H]3CCN(CCCC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000238762893 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)C[C@]8(CC)CCCN9CC[C@@]67[C@@H]98)=CC5=N[C@@]23CC[C@@H]1[C@H]4C(=O)OC ZINC000238762896 KK Annotated Mild C/C=C/c1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(O[C@H](C)[C@@H](OC(C)=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1 ZINC000238762983 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(=O)[C@@H]3C(C)(C)CCC[C@]43C)O1)C(=O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238762993 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]1(CC=C(C)C)C(=O)C(O)=Cc2oc3c(c(=O)c21)C(O)=CC(=O)C3(CC=C(C)C)CC=C(C)C ZINC000238763063 KK Annotated Mild COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238763075 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C[C@H]1OC1(C)C)/C(C)=C\COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000238763096 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000238763097 KK Annotated Anodyne COC1=C(CC=C(C)C)C(=O)[C@]2(CC=C(C)C)C[C@H](C/C=C(\C)COC(C)=O)C(C)(C)[C@@]1(C(=O)c1ccccc1)C2=O ZINC000238763099 KK Annotated Mild COC1=CC(=O)c2cc([C@@H]3CC[C@@H](O[C@@H]4C[C@H](c5cc6c(cc5C)C(=O)C(OC)=CC6=O)CCO4)OC3)c(C)cc2C1=O ZINC000238763103 KK Annotated Mild CC(C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)[C@H](O)CO ZINC000238763111 KK Annotated Anodyne CC1=CCC[C@H]2[C@@](C)(C/C=C3\CC(=O)N(/C=C(\CC[C@]4(C)[C@@H]5CCC=C(C)[C@]5(C)CC[C@H]4C)CC(=O)O)C3=O)[C@H](C)CC[C@@]12C ZINC000238763130 KK Annotated Anodyne COC(=O)c1cncc([C@H]2CO[C@]3(CCC[C@]45O[C@H](c6cncc(C(=O)OC)c6)CN4CCc4c5[nH]c5ccccc45)c4[nH]c5ccccc5c4CCN23)c1 ZINC000238763177 KK Annotated Anodyne CC(=O)O[C@H](/C=C/[C@@H](C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O ZINC000238763195 KK Annotated Reactive CC(C)=CC[C@@H]1C[C@]23C[C@H](/C=C\C(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000238763219 KK Annotated Mild C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC=C(C)[C@@H]2Cc1cc(O)ccc1O ZINC000238763223 KK Annotated Mild COc1ccc([C@H]2Oc3c(C)c(OC(=O)c4ccccc4)c(C)c(OC)c3[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000238763241 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238763252 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000238763342 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(O)=C3C(C)(C)CCC[C@@]34C)O1)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238763428 KK Annotated Mild CCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O ZINC000238763431 KK Annotated Reactive CC[C@H]1CCCN(CCc2c([C@@]3(C(=O)OC)CCC(C(=O)OC)=C4Nc5ccccc5[C@]43CCN3CCC[C@H](CC)C3)[nH]c3ccccc23)C1 ZINC000238763468 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@H]5OC[C@]4(C)[C@H]5NC(=O)c4ccccc4)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238763486 KK Annotated Anodyne COC1=C(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C(OC)[C@]1(CC=C(C)C)CC1=C(C)CC(C)(C)CC1 ZINC000238763507 KK Annotated Mild Cc1c(Br)cc([C@@]2(C)CC[C@@H]3C[C@@]32C)c(O)c1-c1c(C)c(Br)cc([C@]2(C)CC[C@@H]3C[C@@]32C)c1O ZINC000238763525 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1 ZINC000238763565 KK Annotated Mild C=C1C[C@@]2(O)c3c(oc4c(O)c(O)ccc4c3=O)[C@@]3(CC=C(C)C)C(=O)[C@@]2(C[C@@H]1CC=C(C)C)C[C@H](CC=C(C)C)C3(C)C ZINC000238763613 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc4c(c(c31)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2)OCO4 ZINC000238763616 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](C/C=C(\C)CCC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000238763645 KK Annotated Mild COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)[N+](C)([O-])CC5 ZINC000238763646 KK Annotated Bother C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@@H]1[C@H](OC)[C@@H]3C(=O)[C@@]4(C/C=C(\C)C(=O)O)OC(C)(C)[C@@H]3C[C@@]14O2 ZINC000238763659 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@]12C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@](C/C=C(/C)CCC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000238763664 KK Annotated Mild O=c1cc(CCc2ccccc2)oc2cc(O)c(-c3ccc(O)c4oc(CCc5ccccc5)cc(=O)c34)cc12 ZINC000238763672 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]12C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@](C/C=C(\C)CCC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000238763676 KK Annotated Mild CO[C@@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)C(=O)O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=CC(C)(C)O4 ZINC000238763691 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000238763734 KK Annotated Anodyne CCCCCCCCC(=O)c1cccc2c1[C@H](O)[C@H](CCCCCCC)[C@]1(OCc3c(O)cccc31)O2 ZINC000238763767 KK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)C(CCC(C)(C)O)=C(O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000238763797 KK Annotated Mild O=C(c1c(O)cc(O)cc1O)[C@@H]1c2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3)O[C@@H]1c1ccc(O)cc1 ZINC000238763818 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C)[C@H]1Cc2c(O)ccc(O)c2-c2oc3cc(O)cc(O)c3c(=O)c21 ZINC000238763850 KK Annotated Mild COc1ccc([C@@H]2COc3cc(O)c(-c4cc(C5=CCc6ccc(O)cc6O5)c(O)cc4OC)cc3C2)c(O)c1 ZINC000238763864 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5[C@@](C)(C=O)[C@@H](OC(C)=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000238763876 KK Annotated Mild CC(=O)CCCCCCCCCCCCCCCCO[C@H](CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000238763902 KK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c(C(CCCCC(C)C)c2c(O)c3c(c(C(=O)[C@H](C)CC)c2O)OC(C)(C)CC3)c(O)c2c1OC(C)(C)CC2 ZINC000238763925 KK Annotated Anodyne COc1cc(-c2c3n(c4c(=O)oc5cc(OC(C)=O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)ccc1OC(C)=O ZINC000238763942 KK Annotated Anodyne CCCCC/C=C/C/C=C/CCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)O[C@](C)(CC(=O)C=C(C)C)CC2 ZINC000238763952 KK Annotated Mild C=C(C)CC[C@H](C[C@H]1[C@@H]2C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C(C)(C)[C@H]1CC=C(C)C)C(=C)C ZINC000238763977 KK Annotated Mild COc1ccc2c([nH]c3c(O)c(-c4c(C)cc5c([nH]c6c(C/C=C(\C)CCC=C(C)C)c(OC)ccc65)c4O)c(C)cc32)c1C/C=C(/C)CCC=C(C)C ZINC000238763998 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]2[C@H](CC=C(C)C)C(C)(C)[C@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O ZINC000238764002 KK Annotated Mild CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/C[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000238764039 KK Annotated Mild CC(=O)O[C@@H]1CC(C[C@@]23CC[C@@H](O2)C(C)(C)C3=O)=C(C(=O)OCC(=O)c2ccc(Br)cc2)C2=CC[C@@](C)([C@H](C)C[C@H](O)/C=C(\C)C(=O)OCC(=O)c3ccc(Br)cc3)[C@@]21C ZINC000238764066 KK Annotated Anodyne CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/C[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000238764067 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC)cc2c(c1OC)C[C@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238764071 KK Annotated Anodyne CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000238764078 KK Annotated Mild CC(=O)OC/C=C(\CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12)CO[C@H]1OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000238764086 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cc([C@H](C)CCCCCCCCCCCCCc2cccc(OC)c2OC)cc(OC)c1OC ZINC000238764100 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000238764165 KK Annotated Mild COc1ccc([C@@H]2c3c(c4c(c5c3O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](O)[C@@H]5c3ccc(OC)cc3OC)O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)C4)O[C@@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238764193 KK Annotated Anodyne C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H]1O ZINC000238764210 KK Annotated Mild Oc1ccc([C@@H]2Oc3cc4c5c(c3[C@H]2c2cc(O)cc(O)c2)C[C@@H](c2ccc(O)cc2O)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238764224 KK Annotated Anodyne O=CN1CCCCCCCCCC[C@@]23C[C@@H]4C(=O)N(CCC/C=C/C/C=C/C[C@@H](O)/C=C\2C(=O)[C@@H]4CC1)C3 ZINC000238764235 KK Annotated Mild COC1=CC(=O)C(O)=C(CCCCCCC/C=C\CCCCCCCC2=C(OC(C)=O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000238764247 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)Oc3c(CC=C(C)C)c4c(c(O)c3[C@H]1[C@@H]2O)C(=O)C1=C[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C(=O)O)(C2=O)[C@@]13O4 ZINC000238764259 KK Annotated Mild COC1=CC(=O)C(O)=C(CCCCCCC/C=C/CCCCCCCC2=C(OC(C)=O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000238764264 KK Annotated Mild COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238764282 KK Annotated Anodyne C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@H]1C(C)=CC[C@@]23C(=O)C(C(C)C)=C(O)C(=O)[C@@]12[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]3C=O ZINC000238764292 KK Annotated Mild C=Cc1c(C)c2cc3[nH]c(c(/C=C/C(=O)O)c3C)c3c4nc(cc5[nH]c(cc1n2)c(C)c5C=C)c(C)c4C(=O)[C@H]3C(=O)OC ZINC000238764329 KK Annotated Bother CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c([C@@H](O)[C@H]4OC4(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000238764330 KK Annotated Mild COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@H]3c4ccc(OC)c(OC)c4O[C@H](c4ccc(OC)cc4)[C@@H]3OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000238764334 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c([C@@H](O)[C@H]4OC4(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000238764357 KK Annotated Mild COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/[C@H](C)C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(C)OC ZINC000238764359 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@H](C(=O)c4ccc(O)cc4O)[C@H]3c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000238764406 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)C[C@@H]1c1c(O)c3c(c(CC=C(C)C)c1O2)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000238764407 KK Annotated Mild CC1(C)[C@@H]2CC[C@H](C=O)[C@]23C[C@H]1C(C(=O)O)=C[C@@H]3OC(=O)CCCCCCC/C=C\CCCCCCO ZINC000238764439 KK Annotated Mild COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]3OC(=O)c1ccccc1)OCO2 ZINC000238764449 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(CO)cc(/C=C4/c5cc(O)cc(O)c5[C@@H](c5ccc(O)c(OC)c5)[C@@H]4c4cc(O)cc(O)c4)cc3[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238764472 KK Annotated Anodyne O=C([C@@H]1[C@@H](C(=O)N2CCCCC2)[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H]1/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000238764473 KK Annotated Anodyne CCCCCCCCCCCCCCC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238764474 KK Annotated Mild C=C(C)[C@@H]1C[C@@]23C(=O)[C@@]4(C/C=C(\C)CCC=C(C)C)C[C@@H](C[C@H]2C1(C)C)C(C)(C)[C@](C(=O)c1ccccc1)(C4=O)C3=O ZINC000238764481 KK Annotated Mild C=C1[C@@H](OC(=O)c2cccnc2)C[C@@H]2C[C@@H]2/C=C(\C)C[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238764495 KK Annotated Mild COc1cc(OC)c(Oc2cc(OC)c(-c3c(OC)cc(OC)cc3OC)c(OC)c2)c(OC(C)=O)c1 ZINC000238764516 KK Annotated Anodyne CC(=O)C[C@@]1(C)[C@@H](O)CC[C@]2(C)C[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]45C)C[C@]3(C)C[C@@H]21 ZINC000238764561 KK Annotated Anodyne Oc1ccc(/C=C/[C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@H]3C[C@H](CCc4ccc(O)cc4)O[C@H](c4ccc(O)cc4)[C@@H]23)cc1 ZINC000238764569 KK Annotated Anodyne O=C1C=CC(=C2c3c(O)cc(O)cc3-c3c(-c4ccc(O)cc4)oc4cc(O)cc(c34)[C@H]2[C@@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O4)C=C1 ZINC000238764571 KK Annotated Mild COC(=O)c1c(O)c([C@@H]2c3ccc(OC)cc3O[C@H](c3ccc(OC)cc3)[C@H]2OC(C)=O)c2c(c1OC)C[C@@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238764594 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@H]2CC[C@@](O)(CO)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000238764669 KK Annotated Anodyne CO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C ZINC000238764672 KK Annotated Anodyne COC(=O)CCCCCCCC[C@H](I)CCCCCCOC(=O)CCCCCCCCC(=O)CCCCCCI ZINC000238764686 KK Annotated Reactive CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]23CC[C@]2(C)[C@@H]([C@H](C)C[C@@H]4C=C(C)C(=O)O4)CC[C@@]2(C)C3=O)C1(C)C ZINC000238764687 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O ZINC000238764706 KK Annotated Clean Cc1c(OC(=O)Cc2ccccc2)c(-c2ccc(O)cc2)c(O)c(OC(=O)Cc2ccccc2)c1-c1ccc(O)cc1 ZINC000238764736 KK Annotated Anodyne COC(=O)CCc1c(C)c2cc3cc(C)c(cc4cc(C)c(cc5nc(cc1[nH]2)[C@H](CCC(=O)OC)C5(C)C)[nH]4)n3 ZINC000238764748 KK Annotated Bother C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@](C)(COC(=O)CC(=O)OC[C@]4(C)CCC[C@@]5(C)[C@@H]4CC=C4C[C@@](C)(C=C)CC[C@@H]45)CCC[C@@]32C)C1 ZINC000238764759 KK Annotated Mild O=C1O[C@H](/C=C/COCc2ccc(Br)cc2)[C@@H](O)/C1=C\C=C\COCc1ccc(Br)cc1 ZINC000238764770 KK Annotated Anodyne O=C1CCC[C@H]2C[C@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000238764788 KK Annotated Mild CCCCC[C@H](O)CCCCCC(=O)OC/C=C/c1cc(OC)c2oc3cc(OC)cc(O)c3c(=O)c2c1O ZINC000238764799 KK Annotated Bother C/C(=C\CC[C@@H](O)[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238764801 KK Annotated Anodyne COc1cc2c3c(c1OC)Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2N(C)CC3)NCC4 ZINC000238764807 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@@](CC=C(C)C)(C2=O)[C@]1(C)CCC=C(C)C ZINC000238764843 KK Annotated Clean CC1=C(C#C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C#CC2=C(C)C=CCC2(C)C)C(C)(C)CC=C1 ZINC000238764865 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C/C=C(C)\C=C\C=C/C(C)=C\C=C\C(C)=C/C=C1\C(C)=CC(=O)CC1(C)C ZINC000238764895 KK Annotated Mild O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@H](c1ccccc1)CC2=O ZINC000238764930 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000238764938 KK Annotated Anodyne Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238764939 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c([C@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238764956 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3 ZINC000238764972 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)C2 ZINC000238764976 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](N(C)C(=O)c5ccccc5)CC[C@@]4(O)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238765026 KK Annotated Anodyne CCC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(CC)=C4C)c(C)c3CCC(=O)OC)C(CCC(=O)OC)=C2C)NC1=O ZINC000238765027 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000238765062 KK 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=C/C2=CC(=O)[C@@H](C)CC2(C)C)C(C)(C)CCC1=O ZINC000238765079 KK Annotated Mild COc1cc([C@@H]2c3c(O)cc(O)cc3[C@H]([C@@H](OC)c3ccc(O)c(OC)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238765082 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@H](O)/C(C)=C\CCc2c(O)c(cc3ncsc23)NC(=O)C1 ZINC000238765110 KK Annotated Anodyne COc1c(-c2cc3c(c(C(C)C)c2OC)CC[C@H]2C(C)(C)CCC[C@]32C)cc2c(c1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000238765120 KK Annotated Anodyne CCC(=O)O[C@H]([C@H](C)c1oc([C@H](C)[C@H](O)CC)c(C)c(=O)c1C)[C@H](C)[C@@H](OC(=O)CC)/C(C)=C/[C@H](C)c1oc(CC)c(C)c(=O)c1C ZINC000238765171 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000238765172 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc(O)cc4O)c(O)c3C(=O)[C@@]1(C)Oc1cc(O)ccc12 ZINC000238765193 KK Annotated Anodyne COc1cccc2c(-c3ccc4cc5c(c(O)c4c3O)C(=O)C[C@](C)(O)C5)c3c(c(O)c12)[C@@H](C)O[C@H](C)C3 ZINC000238765220 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)C1=CC(O)=C([C@@H]2C[C@H](CO)C[C@H](O)[C@H]2O)C(=O)C1 ZINC000238765276 KK Annotated Mild C=C(C)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)O[C@@H](C(=C)CC[C@H](O)[C@@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@H]3O2)O1 ZINC000238765366 KK Annotated Mild C=C(C)[C@H](CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)OC(C)=O ZINC000238765374 KK Annotated Mild CC(=O)O[C@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000238765423 KK Annotated Anodyne Cc1c(O)c(-c2ccc(OC(=O)Cc3ccccc3)cc2)c(O)c(O)c1-c1ccc(OC(=O)Cc2ccccc2)cc1 ZINC000238765432 KK Annotated Clean CCCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)c1cnc(Cc2cnco2)o1)[C@H](O)[C@H](C)O ZINC000238765436 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1cnc(Cc2cnco2)o1 ZINC000238765450 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C1=O)C1=C(C=CC(C)(C)O1)C2=O ZINC000238765452 KK Annotated Mild CCN1CCc2cc(OC)c3cc2[C@@H]1Cc1ccc(cc1)Oc1c(O)c(OC)cc2c1[C@@H](Cc1ccc(O)c(c1)O3)N(CC)CC2 ZINC000238765481 KK Annotated Anodyne CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@H](O)[C@@H](OC(N)=O)CC[C@H](C)C[C@@H](OC(N)=O)[C@@H](C)C(=O)O1 ZINC000238765497 KK Annotated Anodyne COc1cc([C@H](Cc2ccc(O)cc2O)c2cc(/C=C/c3cc(O)cc(O)c3)cc(OC)c2O)ccc1O ZINC000238765515 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C(C=C[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)CC[C@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000238765544 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4[C@@H]5c6c(c(O)cc7c6[C@@H](c6cc(O)cc(O)c6[C@H]5c5ccc(O)cc5)[C@H](c5ccc(O)cc5)O7)[C@H]4c4ccc(O)cc4)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000238765573 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(=O)[C@@H]3C(C)(C)CCC[C@]43C)O1)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238765593 KK Annotated Mild CC(=O)OC/C(=C\C(=O)O)C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]1(O)[C@@H](C)CC(=O)CC1(C)C ZINC000238765609 KK Annotated Bother CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)cc1O ZINC000238765630 KK Annotated Mild COC1=CC(=O)C(OC(C)=O)=C(CCCCCCC/C=C/CCCCCCCC2=C(O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000238765638 KK Annotated Mild C=C(c1ccccc1)[C@@]12C(=O)[C@@](C[C@H](O)C(C)(C)O)(C[C@@H](CC=C(C)C)C1(C)C)C(=O)C1=C2OC(C)(C)[C@H](O)C1 ZINC000238765658 KK Annotated Mild CC[C@H]1CCCN(CCc2c3n(c4ccccc24)[C@](C(=O)OC)(c2[nH]c4ccccc4c2CCN2CCC[C@@H](CC)C2)CC[C@H]3C(=O)OC)C1 ZINC000238765682 KK Annotated Anodyne C=C[C@]1(C)CC[C@@H]2[C@@](C)(O1)C(=O)C[C@@H]1C(C)(C)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)C[C@@H](OC(=O)C=C(C)C)[C@@]21C ZINC000238765705 KK Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc([C@@H]4OC[C@@H]5[C@H]4CO[C@H]5c4ccc(OC(C)=O)c(OC)c4)cc3[C@H]2COC(C)=O)ccc1OC(C)=O ZINC000238765770 KK Annotated Anodyne CC(C)=CCC1=C(O)[C@]2(C(=O)c3ccccc3)C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)C2=O ZINC000238765771 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2c(O)cc(-c3cc4ccc(O)c(CC=C(C)C)c4o3)cc2O)c1O ZINC000238765798 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc4c(c2O)[C@H](c2ccc5c(c2)O[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000238765811 KK Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)ccc3[C@H](c3c(OC)cc(OC)c4c3O[C@H](c3ccc(OC)c(OC)c3)[C@@H](OC(C)=O)C4)[C@@H]2OC(C)=O)cc1 ZINC000238765836 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000238765916 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000238765930 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000238765958 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)C[C@@H]2O[C@@H]1c2c(OC)cc3c(c2O[C@@H](c2ccc(OC)c(OC)c2)[C@H]1O)[C@H]1c2c(cc(OC)cc2O[C@@H](c2ccc(OC)c(OC)c2)[C@H]1O)O3 ZINC000238765961 KK Annotated Anodyne CC1=CC[C@@H]2[C@](C)(CCC[C@]2(C)CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@@H]2C)[C@H]1Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000238765965 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@@H](C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000238765975 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@@H](C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000238765991 KK Annotated Anodyne COC(C)(C)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000238766017 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Oc2c(O)c3c(c(C(=O)/C=C/c4ccc(O)c(O)c4)c2O)CC(C)(C)C=C3)c1O ZINC000238766046 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2cc(O)cc(O)c2)c1O ZINC000238766048 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238766078 KK Annotated Reactive CC(C)CCCCCCCCCC/C=C\[C@H](O)[C@@H](OC(=O)CCCCCCCCCCCC(C)C)[C@](N)(CS(=O)(=O)O)C(=O)O ZINC000238766088 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@@H](C3=O)[C@@H](O)[C@@H]3C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)C3=O ZINC000238766123 KK Annotated Anodyne CC1=CC(C)(C)C(O)=C(C(=O)[C@H]2[C@H](c3ccccc3)[C@H](C(=O)C3=C(O)C(C)(C)C=C(C)C3=O)[C@H]2c2ccccc2)C1=O ZINC000238766130 KK Annotated Mild CC(C)=CC[C@]12Oc3c(c(O)cc(O)c3[C@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000238766190 KK Annotated Anodyne Oc1ccc(/C=C/c2c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)cc4)[C@H]3O)c(O)cc(O)c2[C@H]2c3ccc(O)cc3O[C@H](c3ccc(O)cc3)[C@@H]2O)cc1 ZINC000238766225 KK Annotated Anodyne CCC/C(=C\C(=O)OC)CCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCC/C(=C/C(=O)OC)CCC ZINC000238766285 KK Annotated Anodyne CCCCCCCC[C@H](CC)CCCC[C@H](CCO)COC(=O)c1ccccc1C(=O)OC[C@H](CCO)CCCC[C@H](CC)CCCCCCCC ZINC000238766307 KK Annotated Mild C=CC1=C(C)C(/C=C2/NC(=O)C(CCC(=O)OC)=C2C)=N/C1=C/c1[nH]c(/C=C2/NC(=O)C(CCC(=O)OC)=C2C)c(C=C)c1C ZINC000238766313 KK Annotated Anodyne Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238766333 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](/C=C3\c4[nH]c5ccccc5c4CN4CC[C@@H]3/C(=C\C)C4)C[C@H]1[C@H]2C(=O)OC ZINC000238766334 KK Annotated Anodyne O=C1CCC[C@H]2C[C@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2cc(C(=O)/C=C/c3ccccc3)c(O)cc2O1 ZINC000238766358 KK Annotated Mild CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c([C@H](CCCCC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c2O)c1O ZINC000238766446 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000238766451 KK Annotated Mild C=C1CC[C@@H](OC(=O)/C=C\c2ccccc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@]2(O)C[C@@H](C)[C@@H](OC(=O)c3ccccc3)[C@H]2[C@@H]1OC(C)=O ZINC000238766481 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]([C@H]1C(=O)[C@@H]3C(C)(C)CCC[C@]3(C)C3=C1C(=O)C(C(C)C)=C(O)C3=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238766488 KK Annotated Mild CCO[C@@H](c1ccc(O)c(OC)c1)[C@H]1c2cc(O)cc(O)c2[C@@H](c2ccc(O)c(OC)c2)[C@@H]1c1cc(O)cc(O)c1 ZINC000238766503 KK Annotated Anodyne CC1(C)[C@@H]2C[C@@]3([C@@H](C=O)CC[C@@H]13)[C@@H](O)C(CCCCCCCC(=O)CCCCCCCCO)=C2C(=O)O ZINC000238766509 KK Annotated Mild C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#CCCCCC(=O)CCCCC/C=C/[C@H](O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238766516 KK Annotated Mild COC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@@H]3CC=C(C)C(=O)O3)[C@@]1(C)CC2 ZINC000238766523 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#CCCC[C@@H](O)/C=C/CCCCCCCCCCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238766530 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CC(C)C)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000238766532 KK Annotated Mild Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Br)cc1O)Oc1c(O)cc(cc1O)CC/C(Cl)=C\CCc1cc(c(Br)cc1O)O2 ZINC000238766536 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)[C@H](O)C#C[C@@H](O)C#CCCCCC(=O)CCCCC/C=C/[C@@H](O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238766543 KK Annotated Mild C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#CCCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](O)C#CC(=O)O ZINC000238766560 KK Annotated Mild COc1cc(O)c(Cc2c(O)cc3c(c2OC)CC[C@@H](c2ccccc2)O3)c2c1CC[C@@H](c1ccccc1)O2 ZINC000238766569 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#C[C@@H](O)CCCC(=O)CCCCC/C=C/[C@H](O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238766575 KK Annotated Mild C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#CCCCCC(=O)CCCCC/C=C/[C@H](O)CCCCCCCCCCCC[C@H](O)[C@H](O)[C@H](O)C#CC(=O)O ZINC000238766587 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc4c(c2)[C@H](c2cc(O)cc5c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)O3)cc1 ZINC000238766609 KK Annotated Anodyne COC(=O)CCCCCCCCCCCCC[C@H](C)[C@H](C)CCCCCCCCCCCCCCOC[C@H](O)CO ZINC000238766612 KK Annotated Anodyne CCCCCCCCCCCCCCC/C=C\C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2c(C)cccc2O)=N1)C(=O)O[C@@H](CC)[C@@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000238766620 KK Annotated Mild CC(=O)Oc1ccc(-c2coc3c(CC=C(C)C)c4c(c(OC(C)=O)c3c2=O)C=CC(C)(C)O4)cc1OC(C)=O ZINC000238766637 KK Annotated Anodyne COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1OC)CC3=NCC2 ZINC000238766711 KK Annotated Anodyne COc1cc(O)ccc1[C@H]1c2c(c(OC)c(O)c3oc(=O)ccc23)[C@@H]2C=C(C)C[C@H](c3ccc(O)c(O)c3)[C@@H]21 ZINC000238766744 KK Annotated Clean C=C1[C@@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@](C)(OC(=O)c3ccccc3)C[C@@]2(OC(C)=O)C(=O)[C@H](C)/C=C/C(C)(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)c1ccccc1 ZINC000238766748 KK Annotated Mild COc1cc2c(cc1OC)[C@H](Cc1ccc(OC3=C[C@@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(O)c54)CCN3C)cc1)N(C)CC2 ZINC000238766793 KK Annotated Mild COc1ccc([C@@H]2c3c(c4c(c([C@H]5c6ccc(OC)cc6O[C@H](c6ccc(OC)c(OC)c6)[C@H]5O)c3OC)O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)C4)O[C@@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238766799 KK Annotated Anodyne CC(C)=C/C=C\[C@@]1(C)CCc2c(O)c(C(=O)O[C@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000238766813 KK Annotated Anodyne O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccc(O)cc3)ccc(COCCO)c2C#Cc2ccc(O)cc2)C=C1 ZINC000238766826 KK Annotated Mild CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)CO ZINC000238766883 KK Annotated Anodyne COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5C(=CC4=CC[C@]3(C)[C@H]2[C@H](C)N)CC[C@H](N(C)C)C5(C)C)cc(OC)c1O ZINC000238766888 KK Annotated Anodyne COC(=O)[C@H](O)C[C@]1(C)C2=CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC=C(C)C(=O)O4)CC[C@@]3(C)[C@@H]2CC[C@H]1C(C)(C)O ZINC000238766921 KK Annotated Anodyne COC(=O)[C@]1(C)[C@H]2CC[C@]3(C)/C(=C(C)/C=C/C=C(C)/C=C/C=C(C)C)C(=O)C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O ZINC000238766938 KK Annotated Mild C=C1[C@@H](O[C@H]2OC(=O)C[C@@H]2CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@@]23C)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 ZINC000238766955 KK Annotated Mild CO[C@H]1/C=C/C=C/C=C/C[C@@H](OC(=O)[C@H](C)NC(=O)CC(C)C)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)cc(c2)NC(=O)C1 ZINC000238766985 KK Annotated Anodyne O=C1C=C[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]3CC5)[C@@H]4N2CCC1 ZINC000238766994 KK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@H](O)[C@@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O2)O1 ZINC000238767004 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1cc(=O)c2c(O)cc(O)c(C)c2o1 ZINC000238767052 KK Annotated Mild C=CC(C)(C)CC/C=C(\C)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC=C(C)C ZINC000238767066 KK Annotated Mild C=C(O[C@H]1C(=C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@H]12)c1ccccc1 ZINC000238767137 KK Annotated Mild COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc5c(c4Oc4ccc(cc4)C[C@H]3N(C(C)=O)CC2)OCO5)CCN1C ZINC000238767187 KK Annotated Anodyne COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000238767196 KK Annotated Mild C=CC(C)(C)c1c2c(cc3ccc(=O)oc13)C(O[C@H]1c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]1O)=CC(C)(C)O2 ZINC000238767204 KK Annotated Mild CC(=O)O[C@H]1C[C@@]23C[C@@]24C=CC(=O)OC(C)(C)[C@@H]4CC[C@H]3[C@]2(C)CC[C@H]([C@@](C)(O)[C@@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000238767218 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@@H]2c3cc(C(C)C)c(O)c(O)c3[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H]2O1 ZINC000238767221 KK Annotated Mild CCCCCC(=O)Cc1cc(OC)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)OCc2ccccc2)c(OC)c1 ZINC000238767222 KK Annotated Anodyne COc1ccc([C@H]2c3c4c(c5c(c3O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)[C@@H](c2ccc(OC)cc2OC)[C@H](O)[C@H](c2ccc(OC)c(OC)c2)O5)C[C@H](O)[C@@H](c2ccc(OC)c(OC)c2)O4)c(OC)c1 ZINC000238767227 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@@]4(CC[C@@]5(C)C6=C(C=C[C@@]53OC4=O)C(C)(C)[C@@H](OC(=O)c3ccccc3O)CC6)[C@@H]2C1 ZINC000238767245 KK Annotated Anodyne COC1=CC(O)=C(C(=O)[C@H]2[C@H](c3ccccc3)[C@H](C(=O)C3=C(O)C=C(OC)C(C)(C)C3=O)[C@H]2c2ccccc2)C(=O)C1(C)C ZINC000238767246 KK Annotated Mild C/C(=C\CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@]1(C)CC[C@@H](C(C)(C)O)O1 ZINC000238767271 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c(OC)ccc2c1O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)C2=O ZINC000238767294 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)CC[C@@]2(C)CCC[C@H]2C(C)(C)O[C@H]3CC(=O)O[C@@]32CC1=O ZINC000238767320 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C(=O)[C@@](C)(CCC(=O)C(C)C)CC[C@]23C)C1(C)C ZINC000238767360 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]12C ZINC000238767380 KK Annotated Mild C=C[C@@](C)(O)CC/C=C(\C)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC=C(C)C ZINC000238767392 KK Annotated Mild CC[C@H](C)C[C@@H](C)/C=C(C)\C=C\C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000238767415 KK Annotated Mild CCCCCCC[C@H]1C[C@H]2CCc3c(C(=O)OCCCCCCC[C@H]4C[C@H]5CC[C@@H]6C[C@H](C)N(O)C(=N4)N56)c(C)nc([n+]32)N1 ZINC000238767417 KK Annotated Mild CC(C)CCCCCCCCCC/C=C\[C@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCC(C)C)[C@](N)(CS(=O)(=O)O)C(=O)O ZINC000238767460 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(O)c(OC)c(OC)c2-c2c(cc(OC)c(OC)c2O)[C@H](OC(=O)c2ccccc2)[C@@]2(CO2)[C@H]1C ZINC000238767520 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c5c([nH]c4c3)CC[C@@H]3CN(CC5)C[C@@H](CC)[C@H]3O)C[C@@H]1[C@@H]2C(=O)OC ZINC000238767545 KK Annotated Anodyne CC[C@H](C)[C@H](OC(C)=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1[C@@H]2O ZINC000238767569 KK Annotated Anodyne CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)(O)OCCN)NC(=O)CCCCCCCCCCCC(C)C ZINC000238767610 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@H](CCCC1=CC(=O)N(CCc2c[nH]cn2)C1=O)COS(=O)(=O)O ZINC000238767640 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H](CC=C(C)C)[C@H](C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238767717 KK Annotated Anodyne COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c2c1C=C[C@@](C)(CCC=C(C)C)O2 ZINC000238767740 KK Annotated Anodyne CC1(C)CCC[C@]2(C)/C3=C/C(=O)O[C@]4(C)CC[C@@]5(O)C(C)(C)CCC[C@]5(C)/C4=C\C(=O)O[C@]3(C)CC[C@@]12O ZINC000238767748 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(C/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000238767749 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCC/C=C\CCCCCCCC)C(=O)C(C)=C(O)C1=O ZINC000238767759 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](COC(=O)[C@H]3[C@@]4(C)CC[C@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000238767770 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@]1(C)CCC[C@H]2C1=CC[C@@H](C)[C@]2(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000238767837 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)C(=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@]4(O[C@@H](c5ccccc5)O[C@H]4[C@H]12)C3(C)C ZINC000238767838 KK Annotated Mild Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@H]6CCN7CCCN7N6[C@@H]43)C5)nccc12 ZINC000238767923 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)cc4[C@H]2c2cc([C@@H]4Cc5cc(O)cc6c5[C@H](c5cc(O)cc(O)c54)[C@H](c4ccc(O)cc4)O6)ccc2O)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238767948 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O ZINC000238768001 KK Annotated Mild O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@H]2c3ccc(O)cc3O[C@H](c3ccc(O)cc3)[C@@H]12 ZINC000238768101 KK Annotated Anodyne CC(C)=CC[C@]12C[C@@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)OO)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238768110 KK Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(C)=O)C[C@H]1C ZINC000238768120 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)CC[C@H](NC(=O)c1ccccc1)C4(C)C ZINC000238768228 KK Annotated Anodyne CC1=C[C@H](c2c(O)cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)[C@H](C(=O)c2ccc(O)c(C/C=C(/C)CO)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238768230 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)C[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238768235 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238768290 KK Annotated Mild CCCCCCCCCC[C@H](O)[C@H]1CC[C@@H]([C@H](O)CCCCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238768299 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)cc2c1/C=C1\NC(=O)[C@@]2(C[C@@H](C)C=C[C@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238768329 KK Annotated Mild Oc1ccc2c(c1)[C@@H](C1=N/C(=C\c3[nH]c([C@H]4C=Nc5ccccc54)cc3-c3c[nH]c4ccccc34)C(c3c[nH]c4ccccc34)=C1)C=N2 ZINC000238768363 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(C)=O)[C@@H]2c1c([C@H]2Oc3cc(OC)ccc3[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc(OC)c(OC)c1OC ZINC000238768371 KK Annotated Anodyne CC(C)=C1CC[C@]2(C)[C@@H](OC(=O)c3cccnc3)/C=C(\C)CC[C@H]3O[C@@]3(C)C[C@@H](OC(=O)c3cccnc3)[C@@H]12 ZINC000238768414 KK Annotated Anodyne C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 ZINC000238768472 KK Annotated Reactive C=C(C)[C@H](CC=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C(CC=C(C)C)=C(OC)C(C(=O)c2ccccc2)=C1OC ZINC000238768478 KK Annotated Mild COC1=CC(=O)C([C@@H](CCc2ccc(O)c(OC)c2)c2cc(CCCc3ccc(O)c(OC)c3)c(OC)cc2OC)=CC1=O ZINC000238768548 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(O)c(O)c5C(=O)O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000238768569 KK Annotated Clean CC[C@H](C)Cc1ccc2c(c1O)C(=O)O[C@H](C[C@H](/C=C\C=C/C=C/c1coc(C[C@H](O)[C@H](C)[C@H](O)CC)n1)OC)C2 ZINC000238768578 KK Annotated Anodyne CC(C)=CCC[C@@H](C)CCC[C@@H](C)C/C=C/C(C)=C/C=C/C[C@@H](C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC=C(C)C ZINC000238768623 KK Annotated Anodyne CCCCCCCCC[C@H]1C[C@H]2CC[C@@H]3[C@H](C(=O)O[C@H](C)CCCCCCC[C@H]4C[C@H]5CC[C@@H]6C[C@H](C)N(O)C(=N4)N56)[C@H](C)N=C(N1)N23 ZINC000238768631 KK Annotated Mild C/C=C1/C[N+]2(C)CC[C@]34c5ccccc5N5C=C(c6cc7[n+](cc6CC)CCc6c-7[nH]c7ccccc67)[C@H](O)[C@H]([C@H]53)[C@H]1C[C@@H]42 ZINC000238768653 KK Annotated Clean OCc1c2c(cc3c1[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O3)O[C@@H](c1ccc(O)cc1)[C@@H]2c1cc(O)cc(O)c1 ZINC000238768665 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)O[C@@H]1[C@@H]1[C@@H]2C[C@]3(CC=C(C)C)C(=O)[C@@]1(C=C(C)C)C(=O)[C@@](C(=O)c1ccccc1)(C3=O)C2(C)C ZINC000238768736 KK Annotated Anodyne CC1=CC[C@@H]2[C@@H]([C@@H](C)CC/C=C(\C)COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@@]2(C)CC2=C(C)CC[C@@H]12 ZINC000238768801 KK Annotated Bother CCCCCCCCCCCCCCCC[C@]12C[C@@H]3[C@@]45CC(=O)O[C@@H]4C[C@](CCCCCCCCCCCCCCCC)(O5)O[C@]3(O)[C@@]1(C(=O)OC)O2 ZINC000238768823 KK Annotated Mild CC1=C[C@@H](c2ccc(O)c([C@@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238768855 KK Annotated Anodyne C=C(C)CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000238768867 KK Annotated Mild CC(C)(O)[C@@H](COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1)OC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000238768876 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000238768882 KK Annotated Mild CC(C)(O)[C@@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000238768891 KK Annotated Anodyne CC(C)(O)[C@@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000238768902 KK Annotated Anodyne COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)NCC5 ZINC000238768911 KK Annotated Anodyne Cc1ccc2c(C(C)C)c3c(cc2c1CCC(=O)C(C)C)[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2[C@H]1O3 ZINC000238768914 KK Annotated Anodyne COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2C(=NCC4)C3=O)cc1OC ZINC000238768915 KK Annotated Clean Cc1ccc2c(C(C)C)c3c(cc2c1CCC(=O)C(C)C)[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2[C@H]1O3 ZINC000238768927 KK Annotated Anodyne CC[C@]12C=C([C@@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@@]56CCN3[C@@H]46)CN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000238768946 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4=O)C[C@@H]1[C@H]2C(=O)OC ZINC000238768987 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3cccc(O)c3)=C1O)C2=O ZINC000238768989 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(C)c(C)c3)=C1O)C2=O ZINC000238768990 KK Annotated Mild CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)[C@@]46CCN7CCC[C@]8(CC[C@@]4(N5)[C@H](C(=O)OC)C8)[C@H]76)C1)[C@H]32 ZINC000238769009 KK Annotated Anodyne COC1=C[C@@H]2CCN=C3Cc4ccc(cc4)Oc4cccc(c4)C[C@H]4NCCc5cc(OC)c(cc54)OC(=C1)[C@H]32 ZINC000238769025 KK Annotated Anodyne COC1=CC[C@H]([C@@H](C)/C=C(C)/C=C/C=C\C(=O)N[C@@H](C(=O)N/C=C\C[C@H](C/C=C(\C)Cl)OC(N)=O)C(C)(C)C)OC1=O ZINC000238769106 KK Annotated Anodyne CC1=C[C@H]2c3cc(c(O)cc3O)C(=O)[C@H]3[C@@H](C=C(C)C[C@H]3c3ccc(O)cc3O)c3cc(c(O)cc3O)C(=O)[C@H]2[C@H](c2ccc(O)cc2O)C1 ZINC000238769112 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]2(O)CC[C@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@@]23C)O[C@@H]1C(C)(C)O ZINC000238769114 KK Annotated Anodyne C/C=C/C=C/C[C@@H](C[C@@H](CCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)SS[C@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](C/C=C/C=C/C)OS(=O)(=O)O)OS(=O)(=O)O ZINC000238769131 KK Annotated Reactive C=C(C)CC[C@@H](C=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C2=C(O)[C@H](C)[C@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000238769179 KK Annotated Mild COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@](O)(C(C)(C)O)O3)CC[C@]12C ZINC000238769187 KK Annotated Anodyne COc1cc(OC)c(OC)c2c1C=C1[C@@H](/C=C/c3ccccc3)c3c(OC)cc(OC)c(OC)c3O[C@@]1(c1ccccc1)O2 ZINC000238769220 KK Annotated Anodyne COc1cc(OC)c(OC)c2c1C=C(C(=O)c1ccccc1)[C@]1(C=C(c3ccccc3)Oc3c(OC)c(OC)cc(OC)c31)O2 ZINC000238769235 KK Annotated Mild COc1cc(OC)c(OC)c2c1C=C(C(=O)c1ccccc1)[C@]1(C=C(c3ccccc3)Oc3c(OC)c(OC)c(OC)c(OC)c31)O2 ZINC000238769245 KK Annotated Mild CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@H]1COC(c2c(C)cccc2O)=N1)C(=O)O[C@H](CC)[C@@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000238769249 KK Annotated Mild COc1cc(OC)c([C@@H]2O[C@H]3[C@H](c4c(OC)cc(OC)c(OC)c4O[C@@H]3c3ccccc3)[C@H]2C(=O)c2ccccc2)c(O)c1OC ZINC000238769258 KK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1C/C=C(\C)[C@H]1CCc2c(O)c(C(=O)CCC)c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c2O1 ZINC000238769286 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000238769316 KK Annotated Mild CC(C)=C/C=C/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(C)/C=C/C=C(C)C ZINC000238769353 KK Annotated Anodyne COc1ccc([C@@H]2c3c4c(c5c(c3O[C@@H](c3ccc(OC)c(OC)c3)[C@H]2O)[C@H](c2ccc(OC)c(OC)c2)[C@@H](O)[C@@H](c2ccc(OC)cc2OC)O5)C[C@H](O)[C@@H](c2ccc(OC)c(OC)c2)O4)c(OC)c1 ZINC000238769362 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3[N+](C)([O-])CC2)OCO5)N(C)CC4 ZINC000238769363 KK Annotated Bother CC(C)[C@@]1(O)C(=O)[C@H]2C3=C(CC[C@H]4C(C)(C)CCC[C@@]34C)[C@@H]1[C@H]1[C@@](O)(C(C)C)C(=O)C=C3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]321 ZINC000238769419 KK Annotated Mild CCCCCC[C@H](C)CCCCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C2)c(Br)c1 ZINC000238769446 KK Annotated Anodyne CCCCCCCCCCCC[C@@H]1CCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O ZINC000238769476 KK Annotated Mild CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2c(c(O)cc3c2CN(CCC[C@H](C(=O)O)N2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(\C)CCC=C(C)C)[C@H](O)C5)C2=O)C3=O)C[C@H]1O ZINC000238769480 KK Annotated Anodyne C=C(C)[C@@H]1[C@@H](c2cc(CCN(C)C)ccc2OC)CC(C)=C[C@@H]1c1cc(CC[N+](C)(C)[O-])ccc1OC ZINC000238769493 KK Annotated Mild C=C(CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@H](CO)C/C=C(\C)CCC[C@H](C)CCCC(C)C ZINC000238769512 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000238769575 KK Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C)OCO3 ZINC000238769583 KK Annotated Anodyne COc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2c(OC)cc(O)cc2[C@@H]2COc3cc(O)ccc3C2)c(OC)c1O ZINC000238769628 KK Annotated Anodyne COc1ccc(/C=C/C=C/C=C/C=C/C=C/C=C/C=C\C(=O)Oc2cc(CCCC(C)C)cc(OC)c2CCCCCCCCC(C)C)cc1 ZINC000238769635 KK Annotated Bother CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H]1C=CC(=O)OC1 ZINC000238769695 KK Annotated Mild Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000238769709 KK Annotated Clean C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC/C(C)=C/CO[C@]1(C)CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]21 ZINC000238769800 KK Annotated Mild COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C\CC/C(C)=C/C3)c(O)c2c1C/C=C(\C)CC/C=C(/C)C2 ZINC000238769867 KK Annotated Anodyne CC(=O)OC/C(C)=C/CC[C@]1(C)[C@@H]2CC[C@@](C)(O2)[C@H]1CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC/C=C(\C)CO ZINC000238769876 KK Annotated Anodyne CC[C@H](C)CCCCCCCCCCCCC(=O)O[C@H]1CCCC[C@@H]1N1C(=O)c2cc3cc4c(cc3cc2C1=O)CCCC4 ZINC000238769942 KK Annotated Anodyne CC(=O)OC[C@]12CCC(=O)OC(C)(C)C1=C[C@@H](OC(C)=O)[C@]1(C)[C@@H]2CC[C@@H]2[C@H](/C(C)=C\CCC(C)(C)O)CC[C@]21C ZINC000238769944 KK Annotated Anodyne COc1ccc(C[C@]2(OC)Oc3c(c(OC)cc(OC)c3[C@H]3Oc4cc(OC)cc(OC)c4C(=O)[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000238769945 KK Annotated Anodyne COc1cc(/C(Br)=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)OCC(C)C)ccc1Br ZINC000238769954 KK Annotated Bother C=C(CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]21C)[C@H]1CC=C(CC[C@@H]2C(=C)CC[C@@H]3[C@@](C)(C(=O)OC)CCC[C@]32C)CC1 ZINC000238769988 KK Annotated Mild COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](O[C@@H]3c4ccc(OC)c(OC)c4O[C@H](c4ccc(OC)cc4)[C@@H]3OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000238769989 KK Annotated Anodyne CC(C)=CC[C@@]12C[C@H]3C[C@H]4C(C)(C)O[C@]1(O)[C@@]4(CC=C(C)C)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238769990 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccccc2)[C@]23C(=C[C@@H](OC(=O)C(C)C)C[C@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000238769993 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]23)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238769995 KK Annotated Anodyne O=C(/C=C/[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](/C=C/C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000238770027 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@@H](C)[C@H](C)C(=O)C3=C2O)C1(C)C ZINC000238770035 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c(Oc2c(OC(C)=O)cc(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c1 ZINC000238770052 KK Annotated Anodyne COc1cc([C@H]2Oc3c(CO)cc(/C=C4/c5cc(O)cc(O)c5[C@@H](c5ccc(O)c(OC)c5)[C@@H]4c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238770107 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)[C@H]4CC=C(C)C(=O)O4)[C@@]3(C)[C@@H](OC(C)=O)C[C@]23C[C@]13CCC(=O)O ZINC000238770133 KK Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc(O)cc3Oc3c(O)cc(Oc4c(O)cc(O)cc4Oc4c(O)cc(Oc5c(O)cc(O)c(-c6cc(O)c(O)cc6O)c5O)cc4O)cc3O)cc2O)c1 ZINC000238770137 KK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@H](COC(=O)c1ccccc1)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238770156 KK Annotated Anodyne O=C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO1 ZINC000238770200 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)[C@@](C)(O)[C@]51CCC(=O)O1)c(CCC(=O)O)c4C)c(C)c3C=C ZINC000238770244 KK Annotated Bother C/C=C\C[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000238770347 KK Annotated Clean Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)c5c4[C@H]2[C@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238770352 KK Annotated Anodyne COC1=CC(=O)C(O)=C(CCCCCCC/C=C/CCCCCCCC2=C(O)C(=O)C(C)=C(OC(C)=O)C2=O)C1=O ZINC000238770383 KK Annotated Mild C/C=C(/C)C(=O)OC[C@@]1(C)[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)/C(C)=C\C)C[C@]2(C)[C@H]3C(C)=CC(=O)[C@@H]2[C@H]31 ZINC000238770420 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3c1cc(OC)c(OC)c3Oc1cc(OC)c(O)c3c1[C@H](C2)N(C)CC3 ZINC000238770434 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1CCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](OC(C)=O)[C@@H]2O ZINC000238770526 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)C=C3)C1=O ZINC000238770540 KK Annotated Mild COc1cc(O)c(-c2c(O)cc(OC)c3c2ccc2c(O)c(O)ccc23)c2c1-c1ccc(O)c(O)c1CC2 ZINC000238770551 KK Annotated Clean CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)C=C3)C1=O ZINC000238770553 KK Annotated Mild Cc1cc(CC[C@@H](C)CCC[C@H](C)CCCC[C@H](C)CCC[C@H](C)CCc2c(C)ccc(C)c2C)cc(C)c1C ZINC000238770585 KK Annotated Anodyne COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)[O-] ZINC000238770600 KK Annotated Bother C/C=C(/C)C(=O)O[C@H](C)[C@](C)(O)C(=O)O[C@H]1CC(C)(C)[C@H]2CC=C(C)[C@@H](CC[C@@H](C)CC(=O)O)[C@@]2(C)C1 ZINC000238770605 KK Annotated Anodyne COc1ccc([C@H]2Oc3cc(OC)ccc3[C@@H](c3c(OC)cc4c(c3O)C[C@H](OC)[C@@H](c3ccc(OC)c(OC)c3)O4)[C@@H]2O)cc1 ZINC000238770613 KK Annotated Anodyne COc1ccc(CC[N+](C)(C)[O-])cc1[C@H]1C=C(C)C[C@H](c2cc(CCN(C)C)ccc2OC)[C@H]1C(C)(C)O ZINC000238770670 KK Annotated Bother C=C1[C@H]2O[C@@H](CC[C@H](O)/C(C)=C/[C@H]3C(C)=C([C@@H]4C=C(C)C(=O)O4)CC[C@@]34CCCN=C4CC[C@H]1O)C[C@H]2C ZINC000238770731 KK Annotated Mild Oc1cc(O)cc(Oc2c(Oc3c(O)cc(Oc4c(O)cc(O)cc4O)c(-c4c(O)cc(O)cc4O)c3O)cc(O)cc2Oc2c(O)c(-c3c(O)cc(O)cc3O)c(O)c(-c3c(O)cc(O)cc3O)c2O)c1 ZINC000238770801 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO[C@H](COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)COC(=O)c1ccccc1 ZINC000238770806 KK Annotated Anodyne CC(C)=CCC[C@H](C)CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000238770818 KK Annotated Mild C=C1[C@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]34[C@@H](C)C(=O)C[C@H](C[C@@]123)C4(C)C ZINC000238770829 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]([C@H]1C(=O)[C@H]3C(C)(C)CCC[C@]3(C)C3=C1C(=O)C(C(C)C)=C(O)C3=O)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238770859 KK Annotated Mild COC(=O)CCC(=O)OC[C@@H]1CC[C@@]2(C)C(C)=CCC[C@@H]2[C@@]1(C)CC/C(C)=C/COC(=O)CCC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CC/C(C)=C/COC(C)=O)[C@H]1CCC=C2C ZINC000238770896 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC4=O ZINC000238770912 KK Annotated Mild CC(C)=CC[C@]12Oc3cc4c(c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12)[C@H]1C=C(C)C[C@@H]2c3ccc(O)cc3O[C@@](c3ccc(O)cc3O)(O4)[C@@H]12 ZINC000238770925 KK Annotated Anodyne CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]([C@@]23CC(=O)O[C@@H]2C[C@@](O)(CCCCCCCCCCCCCCCC)O3)C1 ZINC000238770936 KK Annotated Mild COc1cc2c(cc1O)[C@H](Cc1ccc(OC3=C[C@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(O)c54)CCN3C)cc1)N(C)CC2 ZINC000238770973 KK Annotated Mild CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)c1c(O)c2 ZINC000238770988 KK Annotated Anodyne CC(C)=CCc1c(O)c([C@H]2C=C(C)C[C@@H](c3ccc(O)cc3O)[C@@H]2C(=O)c2ccc(O)cc2O)c(O)c2c1O[C@@]1(CC=C(C)C)c3ccc(O)cc3O[C@@]1(O)C2=O ZINC000238771006 KK Annotated Anodyne CSC(=O)C[C@@]12O[C@@H]([C@@H](C)C(=O)CC[C@H]3[C@@H]4[C@H](OC(C)=O)CC5=CC(=O)C=C[C@]5(C)[C@@H]4CC[C@H]3C)C[C@@](C)(O1)C(C)(C)O2 ZINC000238771052 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@H](CO)[C@@H](O)/C=C/CCC[C@H](C)CCCCCCCCC ZINC000238771089 KK Annotated Mild COc1cc(-c2c([C@@H]3O[C@@H](OC4CCC5(CC4)CN=CO5)[C@H](C)[C@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000238771108 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@]1(CC=C(C)C)C(O)=C(CC=C(C)C)C(=O)c2c1cc1cc(C)cc(O)c1c2O ZINC000238771110 KK Annotated Mild CC[C@@]12CCCNC3=C(C(=O)C(=O)C=C3[C@H]3C[C@]4(CC)CCCN5CCc6c(n3c3ccccc63)[C@@H]54)C3=C1N(CCC2)CC3 ZINC000238771139 KK Annotated Mild CC1(C)O[C@]23C=Cc4cc5ccoc5c(c4O2)OC[C@H]2O[C@]4(C=Cc5cc6ccoc6c(c5O4)OC[C@H]1O3)OC2(C)C ZINC000238771152 KK Annotated Anodyne COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000238771173 KK Annotated Bother COc1cc(O)c(/C(=C\C=C\c2ccc(O)cc2)C(=O)CCc2ccc(O)cc2)c2c1-c1ccc(O)cc1CC2 ZINC000238771177 KK Annotated Mild COc1cc(Br)c(-n2c(Br)cc3cc(Br)ccc32)c2c(Br)c[nH]c12 ZINC000238771248 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)[C@H]2c1cc2c(cc1OC)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](OC(C)=O)[C@H]2OC(C)=O ZINC000238771251 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(c(/C=C\C(=O)O)c4C)c4c5[nH]c(cc1n2)c(C)c5C(=O)[C@]4(O)C(=O)OC)c(C)c3C=C ZINC000238771261 KK Annotated Bother COC1=C(c2c(/C=C/C(C)C)[nH]c3ccccc23)C(=O)C(OC)=C(c2cn(/C=C/C(C)C)c3ccccc23)C1=O ZINC000238771309 KK Annotated Mild CC1=C(c2cc(C)c3cc(C(C)C)ccc(C)c2-3)C(=O)c2c(C)c(-c3cc(C)c4cc(C(C)C)ccc(C)c3-4)cc(C=O)c21 ZINC000238771310 KK Annotated Mild COC(OC)c1cc(-c2cc(C)c3cc(C(C)C)ccc(C)c2-3)c(C)c2c1C(C)=C(c1cc(C)c3cc(C(C)C)ccc(C)c1-3)C2=O ZINC000238771325 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000238771329 KK Annotated Anodyne CC(C)(Cl)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@@H](O)[C@]2(C)CC[C@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)O2)O1 ZINC000238771333 KK Annotated Reactive CC1=C(c2cc(C)c3cc(C(C)C)ccc(C)c2-3)C(=O)c2c1cc(C(C)C)c(/C=C1\C=Cc3cc(C(C)C)c(C=O)c(C)c31)c2C ZINC000238771338 KK Annotated Mild CCCCC[C@H](C)CCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCCCCC[C@H](C)[C@H](CC)CCCC ZINC000238771339 KK Annotated Anodyne C=C(C)[C@H]1CC=C(CCC[C@@H](C)CO[C@@H]2OC[C@@H](OC(=O)/C(C)=C/CCC3=CC[C@@H](C(=C)C)C[C@@H]3O)[C@H](O)[C@H]2O)CC1 ZINC000238771340 KK Annotated Mild CC1=C(c2cc(C)c3cc(C(C)C)ccc(C)c2-3)C(=O)c2c(C)c(-c3cc(C)c4cc(C(C)C)ccc(C)c3-4)cc(C(C)(C)O)c21 ZINC000238771350 KK Annotated Mild C=Cc1c(C)c(O)c(-c2c(O)c(C)c(C=C)c3c2ccc2c(C)c(O)ccc23)c2ccc3c(C)c(O)ccc3c12 ZINC000238771434 KK Annotated Bother C[C@@]1(CO)[C@@H]2C[C@@]3([C@@H](C=O)CC[C@@H]13)[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCO)C=C2C(=O)O ZINC000238771438 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c(Oc2cc(OC(C)=O)c(Oc3cc(OC(C)=O)cc(OC(C)=O)c3Oc3cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c3)c(OC(C)=O)c2)c(OC(C)=O)c1 ZINC000238771479 KK Annotated Anodyne CCCCCCCC(=O)OCC/C=C/[C@H]1O[C@@H]1[C@@H]1OC(=O)/C=C\C=C\c2nc(oc2C)/C=C(/C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238771525 KK Annotated Mild CC(=O)Oc1cc(Cc2c(OC(C)=O)c(Br)c(OC(C)=O)c(Br)c2OC(C)=O)c(Br)c(Br)c1OC(C)=O ZINC000238771552 KK Annotated Anodyne C[C@H](O)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO ZINC000238771599 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@]3(C)C=C[C@@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]3O)cc2)ccc1O ZINC000238771600 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@H]3C[C@H]([C@@H](C)CC(=O)C=C(C)C)C=C[C@@]3(C)O)c(OC)c2)ccc1O ZINC000238771626 KK Annotated Mild COc1c(Br)cc2c(c1Br)N/C(=C1\Nc3c(cc(Br)c(OC)c3Br)C1=O)C2=O ZINC000238771630 KK Annotated Mild Cc1c2c(cc3c1C(=O)C[C@H]1C(C)(C)CCC[C@]31C)O[C@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC[C@@](C)(C(=O)O)C[C@H]6[C@]5(C)CC[C@@]34C)[C@]1(C)O2 ZINC000238771690 KK Annotated Mild Cc1c2c(cc3c1C(=O)C[C@H]1C(C)(C)CCC[C@]31C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC[C@@](C)(C(=O)O)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000238771704 KK Annotated Mild CCC1=CCCN(CCc2c([C@@]3(C(=O)OC)CC[C@@H](C(=O)OC)c4c(CCN5CCC=C(CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000238771743 KK Annotated Anodyne COc1ccc2c(c1)OC(c1cc(-c3cc4c(cc3OC)OC[C@@H](c3ccc(OC)cc3OC)C4)c(OC)cc1OC)=CC2 ZINC000238771747 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\CC=O)C(=O)O[C@H]1COC(=O)/C1=C/C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C ZINC000238771752 KK Annotated Mild Oc1ccc(/C=C\c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238771758 KK Annotated Anodyne COC(=O)c1c2c(c(OC)c([C@@H]3c4ccc(OC)cc4O[C@H](c4ccc(OC)cc4)[C@H]3OC(C)=O)c1OC)C[C@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238771767 KK Annotated Anodyne C=C1[C@@H](O[C@@H]2OC(=O)C[C@H]2CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@@]23C)C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCc1ccoc1 ZINC000238771782 KK Annotated Mild CCCCCCCCCC[C@]1(CCCCC)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O ZINC000238771784 KK Annotated Mild Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238771795 KK Annotated Anodyne CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238771859 KK Annotated Mild C=C1CC[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000238771962 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@H]4C(C)(C)[C@H](C(C)(C)O)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238771972 KK Annotated Anodyne COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000238771987 KK Annotated Mild C=C1[C@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](C[C@H](C)C(=O)[C@]3(OC(C)=O)C[C@@H](C)[C@@H](OC(=O)c4ccccc4)[C@H]3[C@H]1OC(C)=O)C2(C)C ZINC000238772003 KK Annotated Mild CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@@]45CCN6CC7=CCO[C@@H]1[C@@H]([C@H]34)[C@H]7C[C@H]65)-c1[nH]c3ccccc3c1CC2 ZINC000238772011 KK Annotated Clean C/C=C(/C)C(=O)Oc1ccc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC(=O)/C(C)=C\C)c(OC)c4)OC[C@H]23)cc1OC ZINC000238772131 KK Annotated Anodyne CC(C)=CC(=O)C[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1Oc1ccc(/C=C/C(O)=C\C(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000238772154 KK Annotated Mild CC[C@@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)[C@H](C)CC)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)[C@H](C)CC)c2O)c1O ZINC000238772199 KK Annotated Anodyne CC(=O)O[C@@]1(C)C(=O)O[C@@H]2C[C@H]1C[C@H]2[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@H](OO)C1=C(CC3)C(C)(C)OC(=O)C=C1 ZINC000238772214 KK Annotated Reactive COc1cc(O)ccc1[C@@H]1CC(C)=C[C@H]2c3c(OC)c(O)c4oc(=O)ccc4c3[C@H](c3ccc(O)c(O)c3)[C@H]21 ZINC000238772231 KK Annotated Clean CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC(C)(C)OC(=O)CCCC/C(C)=C/CC[C@H](C)CCCC(C)C ZINC000238772239 KK Annotated Anodyne CC(C)=CCc1c(O)ccc2cc(-c3cc(O)c4c(c3)O[C@]3(c5ccc(O)cc5O)Oc5cc(O)ccc5[C@H]5CC(C)=C[C@H]4[C@@H]53)oc12 ZINC000238772243 KK Annotated Anodyne C=C(CO)C(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\CC/C(=C/CC/C(C)=C\COC(C)=O)COC(C)=O)CCC(=C)C(C)C)/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 ZINC000238772254 KK Annotated Reactive CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\CC[C@H]1OC(=O)COC1=O ZINC000238772282 KK Annotated Mild C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#C[C@@H](O)CCC[C@@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238772314 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(C)/C=C/C=C(C)C)[C@@]3(C)CC[C@H]2[C@@]1(C)C(=O)O ZINC000238772333 KK Annotated Mild CO[C@@H]1O[C@@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)C[C@]12[C@H](CCCO)/C(=C(\C)C=O)CC[C@]2(C)O ZINC000238772359 KK Annotated Reactive COC(=O)[C@@]12CCC3=C(CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(C(=O)OC)[C@@H](O)[C@@H](O)C[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000238772373 KK Annotated Anodyne CC(C)c1cc2c(c3c1O[C@@]1(C(C)C)C(=O)C(=O)C4=C([C@@H]5C[C@H]6C(C)(C)CCC[C@@]6(C4)O5)[C@H]1O3)C[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2O3 ZINC000238772414 KK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H](Cc1c[n+]2c(c3[nH]c4ccccc4c13)C[C@H]([C@H](CO)C(=O)OC)[C@@H](CC)C2)C(=O)OC ZINC000238772443 KK Annotated Anodyne CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@]31C[C@@H]2C[C@@]1(C)C1=C2[C@@H](C)CC[C@H]2[C@@H](C(C)C)CC[C@]2(C)C1 ZINC000238772473 KK Annotated Anodyne Oc1ccc(-c2oc3cc(O)cc4c3c2-c2cc(O)cc3c2[C@@H](c2cc(O)cc5c2[C@H]4[C@@H](c2cccc(O)c2)O5)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238772537 KK Annotated Anodyne COC(=O)c1c(O)c2ccccc2c2oc([C@]3(C)C[C@@H]4c5c(c(O)c6ccccc6c5O3)C(=O)O[C@H]4C(C)(C)O)cc12 ZINC000238772555 KK Annotated Anodyne CC1=C[C@H]2c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000238772574 KK Annotated Anodyne CC(=O)C[C@@H](O)C/C(C)=C(\C)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](OC(C)=O)CC1(C)C ZINC000238772576 KK Annotated Mild CC(C)=CC[C@]12C[C@@H]3C[C@H]4C(C)(C)OO[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238772579 KK Annotated Reactive CC(=O)CCCCCCCCCCCCC[C@@H](/C=C1/C(=O)O[C@H](c2ccc(O)c(O)c2)[C@H]1O)C(C)C ZINC000238772655 KK Annotated Clean CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO[C@H](CO)COCC[C@@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238772660 KK Annotated Anodyne C=C/C(C)=C/C[C@@H]1[C@]2(C)[C@@H](CC[C@@]1(C)O)[C@](C)(COC(=O)CCCCCCCCCCCCCCCCCCC)CC[C@H]2OC(C)=O ZINC000238772677 KK Annotated Mild CC(C)C[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@@H](C(C)C)C(=O)N1C ZINC000238772693 KK Annotated Anodyne C=C(COC(=O)CCCCCCCCCCCCCCC)[C@@H]1/C=C\C2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)OC)c(o2)C1 ZINC000238772801 KK Annotated Mild CCCC/C=C\CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238772818 KK Annotated Reactive CCCCCC(=O)Cc1cc(OC)c(O)c2c1C(=O)Oc1cc(O)c(C(=O)OCc3ccccc3)c(CCCCC)c1O2 ZINC000238772859 KK Annotated Anodyne CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238772888 KK Annotated Mild CCCCCCCCCCCCCCCc1ccc(-c2cc(CCCCCCC[C@H](O)CCCCCCC)c(OC)c(OC)c2)c(OC)c1OC ZINC000238772891 KK Annotated Mild CNc1ncnc(N)c1N(C=O)C/C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@H]21 ZINC000238772899 KK Annotated Anodyne CC(C)=CCc1c(O)ccc([C@@]23Oc4cc(/C=C/c5ccc(O)cc5O)cc(O)c4[C@@H]4C(=O)[C@]5(C)C[C@@H](c6ccc(O)cc6O5)[C@]42O3)c1O ZINC000238772944 KK Annotated Anodyne Oc1ccc(-c2oc3cc(O)c4c5c3c2-c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000238772985 KK Annotated Anodyne CCOC(=O)Oc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C=O)c(O)c3)c(OC(=O)OCC)c2)c(OC)c1 ZINC000238772988 KK Annotated Anodyne CCCCCC/C=C\CCCCCCCCCCCC[C@]12Sc3cc(O)c(Br)cc3[C@H]1[C@@H]1NC3=C(C4=NCCc5c[nH]c(c54)C3=O)[C@H]2O1 ZINC000238773087 KK Annotated Mild C/C1=C\[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)C1 ZINC000238773126 KK Annotated Anodyne C[C@@H](CCC[C@@H](C)COC(=O)c1ccc(Br)cc1)C1=CC[C@]2(C)OC3=C(C[C@H]12)C(=O)[C@@H](OC(=O)c1ccc(Br)cc1)CC3 ZINC000238773134 KK Annotated Mild O=C1NCCc2ccc(O)c(c2)Oc2ccc(cc2Br)CCNC/C(=N/O)Cc2cc(Br)c(c(Br)c2)Oc2cc(cc(Br)c2O)C/C1=N\O ZINC000238773172 KK Annotated Mild CCCCCc1cc(OC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CCCCC)cc(O)c1C(=O)OC ZINC000238773194 KK Annotated Anodyne COc1cc(O)c([C@H]2C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)[C@H]2[C@H](/C=C/C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000238773227 KK Annotated Mild O=C(Cc1ccccc1)OC1=C(c2ccc(O)cc2)[C@H](OC(=O)Cc2ccccc2)c2oc3cc(O)c(O)cc3c2[C@@H]1OC(=O)Cc1ccccc1 ZINC000238773242 KK Annotated Clean CCCC/C=C\CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238773327 KK Annotated Reactive C/C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@](C)(CCC=C(C)C)[C@@H]2CC=C(C)CC2)[C@@H]1OC(=O)/C(C)=C\C ZINC000238773354 KK Annotated Anodyne COC1=CC(=O)C=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)C1=O ZINC000238773370 KK Annotated Mild C=C(C)[C@@H]1CC[C@H]2[C@]3(C)C[C@@H](O)[C@@](C)([C@](C)(O)CC/C=C(/C)C(=O)O)C3=CC[C@]23C[C@]13CCC(=O)O ZINC000238773431 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]23C)CC2=C[C@@H](O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC000238773445 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@H]2[C@]3(C)[C@@H](O)[C@@H](O)/C(=C(\C)CC/C=C(/C)C(=O)O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O ZINC000238773446 KK Annotated Mild COc1cc(O)c(C(=O)[C@H]2[C@@H](c3ccccc3)CC=C(C)[C@@H]2CC=C(C)C)c2c1C=C[C@@](C)(CCC=C(C)C)O2 ZINC000238773487 KK Annotated Anodyne C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O ZINC000238773501 KK Annotated Reactive COc1cc(C(=O)/C=C/c2cc(OC(C)=O)ccc2OC(C)=O)c(O)c(C/C=C(\C)CCC=C(C)C)c1OC(C)=O ZINC000238773513 KK Annotated Mild CC[C@H](C)C(=O)O[C@H]1c2cc(C3=CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC(=O)O)oc2[C@H](C)[C@@H](CC(=O)OC)C1(C)C ZINC000238773521 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)[C@H]3C[C@@]4(OCC3=CC[C@H]2C1(C)C)OC(=O)C=C4C ZINC000238773532 KK Annotated Anodyne COC(=O)[C@]1(C)[C@H]2CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@H]3[C@@]2(C)CC[C@]1(O)OC(C)=O ZINC000238773572 KK Annotated Anodyne CCCCC[C@H]1C[C@@H](CCc2ccc(O)c(OC)c2)O[C@@H](c2cc(O)c(O)c(C)c2C[C@@H]2CC(=O)OC2(C)C)O1 ZINC000238773599 KK Annotated Clean C/C=C/CCCCCC[C@H](C[C@H]1CCCCCCCCCCC[C@@H](OS(=O)(=O)O)C[C@@H](OS(=O)(=O)O)CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)O ZINC000238773646 KK Annotated Anodyne COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C/[C@H](C)CC/C=C(\C)CC/C=C(\C)CC=C(C)C ZINC000238773662 KK Annotated Bother COC(=O)CCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCC[C@H](C)O[Si](C)(C)C)O[Si](C)(C)C ZINC000238773693 KK Annotated Reactive CCCCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H]([C@H](O)CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238773704 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000238773710 KK Annotated Mild CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c([C@H]6Cc7c8n(c9ccccc79)CCC[C@H]8N6)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238773750 KK Annotated Clean CC1=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]3(O)C(C)(C)C[C@@H](O)C[C@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000238773775 KK Annotated Mild Oc1ccc([C@@H](O)[C@@H]2c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3)[C@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238773781 KK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)/C=C(\C)C(=O)OC)[C@@]1(C)CCC(=O)OC ZINC000238773805 KK Annotated Mild Oc1ccc(-c2oc3cc(O)cc4c3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc5c2[C@@H]4[C@@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238773855 KK Annotated Anodyne COC(=O)N1c2cc(OC)c(OC)cc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O[C@@]12CCN4CC=C[C@]45CC[C@]1([C@@H](C5)C(=O)O3)N(C(=O)OC)c1cc(OC)c(OC)cc12 ZINC000238773872 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@H]1C(=O)C(C(=O)c1ccccc1)=C2O ZINC000238773895 KK Annotated Mild COc1ccc([C@@H]2COc3cc(O)ccc3[C@H]2c2c(OC)cc(O)cc2[C@@H]2COc3cc(O)ccc3C2)c(O)c1 ZINC000238773935 KK Annotated Anodyne CC[C@@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](c4ccc5c(c4)[C@@]46CCN7CCC[C@]8(CC[C@@]4(N5)[C@@H](C(=O)OC)C8)[C@H]76)C1)[C@@H]32 ZINC000238774001 KK Annotated Anodyne CC1=C[C@@]2(C)[C@H]3C(C)=C[C@@]4(C)C[C@H](C)CC[C@@H]4[C@H]3C(=O)[C@@]23C(=O)N[C@](O)(Cc2ccc(O)cc2)[C@H]3[C@H]1C ZINC000238774022 KK Annotated Anodyne CC(=O)Oc1cc(C)cc2c1C(=O)c1c(ccc(-c3c(C)cc4c(c3OC(C)=O)C(=O)c3c(OC(C)=O)cccc3C4=O)c1OC(C)=O)C2=O ZINC000238774026 KK Annotated Clean CC1(C)C=Cc2c(cc(O)c3c(=O)cc(-c4c(-c5c6c(c7oc(-c8c(O)c(O)cc9occc89)cc(=O)c7c5O)C=CC(C)(C)O6)c(O)cc5occc45)oc23)O1 ZINC000238774034 KK Annotated Clean COC(=O)/C1=C\C=C(\C(C)C)CC/C(C(=O)O[C@@H]2/C=C(/C(C)C)CCC3=CCC[C@@](C)(OC3=O)[C@@H](O)CC[C@]2(C)O)=C/CC[C@]2(C)O[C@H]2CC1 ZINC000238774072 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](Cc1cccc(OC3=C[C@]4(C=CC3=O)C[C@H]3c5c(cc(C)c(C)c54)CCN3C)c1)N(C)CC2 ZINC000238774078 KK Annotated Mild Oc1ccc([C@@H]2Oc3ccc(/C=C/c4cc(O)c5c(c4)O[C@@H](c4ccc(O)cc4)[C@@H]5c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238774092 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000238774193 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@]2(C[C@@H](C)C=C[C@@H]2/C=C\c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238774225 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@]2(C[C@@H](C)C=C[C@@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238774236 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/NC(=O)[C@@]2(C[C@@H](C)C=C[C@@H]2/C=C\c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238774245 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/NC(=O)[C@@]2(C[C@@H](C)C=C[C@@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238774254 KK Annotated Mild C[C@@H]1O[C@@H](OCc2ccc([N+](=O)[O-])cc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000238774280 KK Annotated Bother CC(=O)O[C@H](CCCCCCCCCCCCc1ccccc1)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1CC(=O)C=C[C@@H]1O ZINC000238774382 KK Annotated Mild CCCCCCCCCCCC[C@H](CCCC[C@H](CC(=O)OC(CO)CO)OC(C)=O)OC(C)=O ZINC000238774445 KK Annotated Mild CC(C)CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@H]2[C@]1(C)CC3 ZINC000238774503 KK Annotated Anodyne COc1cc(O)c([C@H]2C[C@H](CCc3ccccc3)O[C@@H](c3ccc(O)cc3)C2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000238774514 KK Annotated Mild COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(OC(=O)CC(C)C)c(OC)c2)ccc1OC(=O)CC(C)C ZINC000238774538 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCCC[C@@H](O)CC#C[C@H](O)C#CCC[C@@H](O)/C=C/CCCCCCCCCCCC(=O)CCCCCCC[C@H](O)[C@H](O)[C@H](O)C#CC(=O)O ZINC000238774606 KK Annotated Mild CC(=O)O/C1=C2\C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C(\C)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H]1C ZINC000238774607 KK Annotated Anodyne CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@H]3CC[C@H]21 ZINC000238774670 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(-n6c7c(c8cccc(O)c86)CCN6C[C@@H]8C[C@H](CC)[C@H]6[C@@]7(C(=O)OC)C8)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238774691 KK Annotated Anodyne C[C@@H]1N=C(CCCCCCCCCCC2=C[C@@H](CCCCCCCCCCC3=N[C@H](C)[C@H](O)CC3)[C@@H]3CCCN3C2)CC[C@@H]1O ZINC000238774714 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)c([C@@H]4C=C(C)C[C@@H](c5ccc(O)cc5O)[C@H]4C(=O)c4cc(O)cc(O)c4)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000238774731 KK Annotated Anodyne CCCCCCCC(=O)OCC/C=C/[C@@H]1O[C@@H]1[C@@H]1OC(=O)/C=C\C=C\c2nc(oc2C)/C=C(/C)CC[C@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O ZINC000238774733 KK Annotated Mild COc1ccc(CCC(=O)c2c(OC)cc3c(c2O)[C@H](C[C@H](C)[C@H](C)c2ccc(O)cc2)c2cc(O)c(O)cc2O3)cc1 ZINC000238774795 KK Annotated Clean COc1ccc([C@@H]2Oc3c(c(OC)cc4c3[C@H]3c5cc(OC)c(OC)cc5O[C@@](c5cc(OC)c(OC)c(OC)c5)(O4)[C@@H]3OC(C)=O)C[C@H]2OC(C)=O)cc1OC ZINC000238774839 KK Annotated Anodyne COc1cc2c(c(O)c1OC)CCN(C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@@H](C3)N(C)CC4)cc1 ZINC000238774849 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3c2OC(=O)C2C3C3C(=O)Oc4c(ccc5c4[C@@H](OC(=O)/C(C)=C\C)[C@@H](C(C)(C)OC(=O)/C(C)=C\C)O5)C23)O[C@@H]1C(C)(C)OC(=O)/C(C)=C\C ZINC000238774855 KK Annotated Anodyne COc1cc([C@H]2Oc3cc([C@@H]4c5c(O)cc(/C=C/c6ccc(O)cc6)cc5O[C@H]4c4ccc(O)cc4)cc(O)c3[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238774897 KK Annotated Anodyne C[C@H]1N[C@@H](CCCCCCCCCCC/C=C(/C=O)CCCCCCCCCC[C@H]2CC[C@H](O)[C@@H](C)N2)CC[C@@H]1O ZINC000238774903 KK Annotated Reactive CC1=C[C@H]2O[C@@]3(C[C@H](C)[C@H]2C[C@@H]1O)CC(C)(C)C(C(=O)CCc1ccc(O)cc1)=C(/C=C\c1ccc(O)cc1)O3 ZINC000238774936 KK Annotated Mild C=C1C=C[C@@H]([C@@H](C)C/C=C\C(C)(C)C(C(=O)/C=C\c2ccc(O)c(OC)c2)C(=O)/C=C\c2ccc(O)c(OC)c2)CC1 ZINC000238774953 KK Annotated Mild CC(=O)Oc1cc2cc(O)c1Oc1cc(c(O)cc1Br)C/C=C(/Cl)Cc1cc(O)cc(O)c1Oc1cc(c(O)cc1Cl)CC/C=C(/Cl)CC2 ZINC000238774961 KK Annotated Anodyne C=C1C=C[C@@H]([C@@H](C)C/C=C/C(C)(C)C(C(=O)/C=C\c2ccc(O)c(OC)c2)C(=O)/C=C\c2ccc(O)c(OC)c2)CC1 ZINC000238774962 KK Annotated Mild CC1=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC/C(C)=C/CO)C(C)=CC[C@@H]2C1(C)C ZINC000238774965 KK Annotated Anodyne C=C1C=C[C@@H]([C@@H](C)C/C=C\C(C)(C)[C@H](C(=O)/C=C\c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)CC1 ZINC000238774973 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H]2C(=O)C(C(=O)c3ccccc3)=C3O[C@H](C(C)(C)O)C[C@@]3(C[C@H]1CC=C(C)C)C2=O ZINC000238774984 KK Annotated Mild C=C1C=C[C@@H]([C@@H](C)C/C=C/C(C)(C)[C@H](C(=O)/C=C\c2ccc(O)c(OC)c2)C(=O)/C=C/c2ccc(O)c(OC)c2)CC1 ZINC000238774985 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C3O[C@H](C(C)(C)O)CC[C@]1(C)[C@H]3C2=O ZINC000238775001 KK Annotated Mild C/C(OC(C)(C)C)=C(\C(=O)OC(C)(C)C)[C@]1(C)C[C@@]2(C)[C@@]3(CC[N+]2([O-])C[C@@]1(C)C(C)(C)C(C)(C)C)C(=O)Nc1ccccc13 ZINC000238775003 KK Annotated Bother CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@]1(CC=C(C)C)C2=O ZINC000238775017 KK Annotated Mild Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000238775026 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(O)[C@H]1C2=O ZINC000238775041 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 ZINC000238775078 KK Annotated Mild Cc1cc2c3c(c1)-c1c(O)cc(/C=C/c4ccc(O)cc4O)cc1O[C@@]3(c1ccc(O)c(CCC(C)(C)O)c1O)Oc1cc(O)ccc1-2 ZINC000238775086 KK Annotated Anodyne COC(C)(C)CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C\C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000238775105 KK Annotated Anodyne C=CC(C)(C)[C@]12C[C@@H]3C(=O)N4[C@@H]5Nc6ccccc6[C@]5(C(C)(C)C=C)C[C@@H]4C(=O)N3[C@H]1Nc1ccccc12 ZINC000238775108 KK Annotated Mild CC[C@H](C)[C@@H](NC(=O)CC[C@H]1c2cc3[nH]c(cc4cc(C)c(cc5cc(C)c(cc(n2)C1(C)C)[nH]5)n4)c(C)c3CCC(=O)O)C(=O)O ZINC000238775110 KK Annotated Bother 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/c1c(C)ccc(C)c1C)CCCC(C)(C)O ZINC000238775126 KK Annotated Bother COc1ccc([C@H]2c3c(c4c(c5c3O[C@H](c3ccc(OC)c(OC)c3)[C@@H](O)[C@H]5c3ccc(OC)cc3OC)O[C@H](c3ccc(OC)c(OC)c3)[C@H](O)C4)O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238775149 KK Annotated Anodyne COc1cc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N+]2(C)C)ccc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000238775181 KK Annotated Bother Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@H]2c1c(O)c2c(c([C@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000238775201 KK Annotated Clean CCCCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCc1cc(=O)c2c(O)c(C)c(O)cc2o1 ZINC000238775211 KK Annotated Mild COc1c(C)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O)c(C)cc2c1C(C)C ZINC000238775239 KK Annotated Clean C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c6n(c4cc3OC)C[C@@H]3C[C@@H](CC)[C@@H](NCC5)[C@@]6(C(=O)OC)C3)C[C@H]1[C@@H]2C(=O)OC ZINC000238775317 KK Annotated Anodyne COc1ccc([C@H]2c3c4c(c5c(c3O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)[C@@H](c2ccc(OC)cc2OC)[C@H](O)[C@H](c2ccc(OC)c(OC)c2)O5)C[C@@H](O)[C@@H](c2ccc(OC)c(OC)c2)O4)c(OC)c1 ZINC000238775425 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@H](c5ccc(O)cc5)c5c(O)cc6c(c5[C@@H]23)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238775439 KK Annotated Anodyne COC(=O)C(C)(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)C[C@H](C)C(Cl)(Cl)Cl ZINC000238775459 KK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1Oc1ccc(/C=C\C(O)=C/C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000238775477 KK Annotated Mild CCc1c(C)c2cc3nc(c(CC)c3C)c3c4[nH]c(cc5nc(cc1[nH]2)c(C)c5CC(C)C)c(CC)c4CC3 ZINC000238775488 KK Annotated Bother CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1Oc1ccc(/C=C/C(O)=C\C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000238775489 KK Annotated Mild CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1Oc1ccc(/C=C\C(O)=C\C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000238775500 KK Annotated Mild CC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(C(C)=O)c(O)c([C@H]3C=C4CCC[C@@H](C)[C@]4(C)[C@H]4[C@@H]3C4(C)C)c2O)C1=O ZINC000238775502 KK Annotated Mild CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1Oc1ccc(/C=C/C(O)=C/C(=O)/C=C\c2ccc(O)cc2)cc1 ZINC000238775510 KK Annotated Mild COc1cc(/C=C\C(O)=C/C(=O)[C@@H]2[C@H]3C=C(C)[C@H](C[C@@H]3[C@@H](C)CCC=C(C)C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000238775516 KK Annotated Mild COc1cc(/C=C\C(O)=C\C(=O)[C@@H]2[C@H]3C=C(C)[C@H](C[C@@H]3[C@@H](C)CCC=C(C)C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000238775525 KK Annotated Mild COc1cc(/C=C/C(O)=C\C(=O)[C@@H]2[C@H]3C=C(C)[C@H](C[C@@H]3[C@@H](C)CCC=C(C)C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000238775535 KK Annotated Mild C[C@H](CCO)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CC[C@H](C)CCC[C@@H](C)[C@H]1CC[C@@H](CCC[C@H](C)CCO)C1 ZINC000238775536 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(c(OC)c31)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000238775552 KK Annotated Anodyne Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)CC/C(Cl)=C\CCc1cc(c(Cl)cc1O)O2 ZINC000238775651 KK Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC=C(C)C ZINC000238775689 KK Annotated Mild CC/C=C\C/C=C\C/C=C\CCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238775727 KK Annotated Mild C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C ZINC000238775746 KK Annotated Reactive CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238775758 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc(-c4cc5cccc(O)c5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000238775760 KK Annotated Anodyne C1=Nc2ccccc2[C@@H]1C1=N/C(=C\c2[nH]c([C@@H]3C=Nc4ccccc43)cc2-c2c[nH]c3ccccc23)C(c2c[nH]c3ccccc23)=C1 ZINC000238775791 KK Annotated Anodyne CC1=C[C@@H](c2c(O)c([C@H]3C=C(C)CC[C@@H]3C(C)C)c(O)c3c2O[C@H](c2ccccc2)CC3=O)[C@H](C(C)C)CC1 ZINC000238775834 KK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@@H]1C[C@@H](O)C(C)=C[C@H]1Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)cc1 ZINC000238775867 KK Annotated Mild CC1=C[C@@H](c2ccc(O)c([C@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238775874 KK Annotated Anodyne COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)ccc1O[C@@H]1C=C(C)[C@H](O)C[C@H]1[C@H](C)CC(=O)C=C(C)C ZINC000238775876 KK Annotated Mild COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[C@@H]3C=C(C)[C@@H](O)C[C@@H]3[C@H](C)CC(=O)C=C(C)C)c(OC)c2)ccc1O ZINC000238775883 KK Annotated Mild C=C/C=C/C/C(I)=C\CC#CC/C=C\C/C(I)=C\CCCC(=O)O ZINC000238775917 KK Annotated Mild COc1cc(OC)c([C@@H]2C=CCC[C@]23C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]3C/C=C2/CCOC2=O)cc1OC ZINC000238775963 KK Annotated Anodyne COc1cc2c(cc1O)[C@H](Cc1ccc(OC3=C[C@@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2 ZINC000238776041 KK Annotated Mild C=C(C)[C@@H]1C[C@H](C[C@@]2(CC=C(C)C)C(=O)C([C@@H](CCCCC)CC(=O)O)=C(O)C3=C2O[C@H](C)[C@@H](C)C3=O)C1(C)C ZINC000238776044 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@]1(CC=C(C)C)C2=O ZINC000238776052 KK Annotated Clean CC(=O)O[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(=O)O)[C@H]3CC[C@]2(C)[C@H]1C ZINC000238776063 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCc2ccc(OC)c3c2[C@@H](COC(=O)/C=C/c2ccc(O)c(OC)c2)[C@H](c2ccc(O)c(OC)c2)O3)ccc1O ZINC000238776103 KK Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@@H]2C[C@H](OC(=O)c3ccccc3)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238776163 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1c(O)cc(O)c2c(=O)c3c(oc12)-c1ccc(O)cc1O[C@H]3C=C(C)C ZINC000238776173 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000238776178 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CCC(C)(C)[C@H](OC(C)=O)[C@@H]5CC[C@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000238776244 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)ccc3[C@H](c3c(O)cc(O)c([C@H]4c5ccc(O)cc5O[C@H](c5ccc(O)cc5)[C@@H]4O)c3/C=C/c3ccc(O)c(O)c3)[C@H]2O)cc1 ZINC000238776254 KK Annotated Clean CC[C@]12CCCN3CC[C@]4(c5cc(-c6cc7c(c(O)c6O)N(C(C)=O)[C@H]6CC[C@@]8(CC)CCCN9CC[C@]76[C@H]98)c(O)c(O)c5N(C(C)=O)[C@@H]4CC1)[C@@H]32 ZINC000238776285 KK Annotated Clean COC(=O)c1c2c(c(OC)c([C@@H]3c4ccc(OC)cc4O[C@H](c4ccc(OC)cc4)[C@H]3OC(C)=O)c1OC)C[C@@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238776313 KK Annotated Anodyne O=C([C@H]1[C@H](c2ccccc2)[C@H](C(=O)N2C=C([C@@H]3CCCCN3)CCC2)[C@H]1c1ccccc1)N1C=C([C@@H]2CCCCN2)CCC1 ZINC000238776319 KK Annotated Anodyne C=C(C)[C@H]1CC=C(CC/C=C(\C)C(=O)O[C@H]2CO[C@H](OC[C@H](C)CCCC3=CC[C@H](C(=C)C)CC3)[C@@H](O)[C@@H]2O)CC1 ZINC000238776345 KK Annotated Mild CC(C)(O)CCCC1=C[C@@H](c2c(O)cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2O)O3)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238776387 KK Annotated Anodyne COC(=O)c1cccc2c1Nc1cccc3c1N2c1cc(C(=O)OC)c2nc4cccc([C@@H](C)O)c4nc2c1[C@@H]3C ZINC000238776428 KK Annotated Bother CC(C)C(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)cc([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000238776441 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H]1O[C@@H]3c4ccc(OC)cc4O[C@H](c4ccc(OC)c(OC)c4)[C@H]3O[C@@H]21 ZINC000238776482 KK Annotated Anodyne CC1=C[C@@H](c2ccc(O)c([C@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000238776489 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1OC[C@@]23O[C@@H]2[C@H]2CC(C)(C)C[C@H]2[C@]2(C)C[C@@]123 ZINC000238776498 KK Annotated Mild CC(=O)N[C@H](C)[C@@H](CCCCCCCCCCCCCCC(=O)CCCCCCC[C@@H](OC(C)=O)[C@@H](C)NC(C)=O)OC(C)=O ZINC000238776610 KK Annotated Anodyne CC(=O)Oc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)c([C@@H]4C(=O)c5c(OC(C)=O)cc(OC(C)=O)cc5O[C@H]4c4ccc(OC(C)=O)cc4)c3o2)cc1 ZINC000238776656 KK Annotated Anodyne C[C@H]1N[C@@H](CCCCCCCCCCC2=C[C@@H](CCCCCCCCCC[C@H]3CC[C@H](O)[C@@H](C)N3)[C@@H]3CCC(=O)N3C2)CC[C@@H]1O ZINC000238776679 KK Annotated Anodyne O=C(OCC1=C[C@H]2[C@@H]([C@H](OC(=O)c3ccccc3)[C@H]1O)[C@H]1C=C[C@]2(COC(=O)c2ccccc2)[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000238776684 KK Annotated Anodyne CC(C)=CC(=O)O[C@H]1[C@@H](O[C@@H]2[C@H](OC(=O)C=C(C)C)c3c(ccc4ccc(=O)oc34)OC2(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000238776713 KK Annotated Anodyne COc1cc(CCCC(C)C)cc(OC(=O)/C=C\C=C\C=C\C=C\C=C\C=C\C=C\c2cc(Cl)c(OC)c(Cl)c2)c1CCCCCCCCC(C)C ZINC000238776758 KK Annotated Bother C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@@]12C)[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC3)C(C)C ZINC000238776789 KK Annotated Mild COC(=O)[C@@]12CC[C@@H]3C(=CC[C@H]4[C@@]5(C)CC(=O)COC[C@](C)(C(=O)O)C[C@H]5CC[C@@]34C)[C@@H]1[C@@H](C)[C@H](C)CC2 ZINC000238776803 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@H](C(C)(C)O)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238776818 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@@H]4C(C)(C)[C@H](C(C)(C)O)C[C@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238776827 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]21OC(C)=O ZINC000238776836 KK Annotated Anodyne CNCCc1cc(OC)c2cc1[C@@H](OCCO)Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@H]1c3c(cc(OC)c(OC)c3O2)CCN1C ZINC000238776840 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c(OC)c2c(c3c1O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@H]3c1ccc(OC)cc1OC)O[C@H](c1ccc(OC)c(OC)c1)[C@H](O)C2 ZINC000238776880 KK Annotated Anodyne CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)[C@@](C)([C@@]1(C)C(=O)c2c(cc4cc(O)c5c(c4c2O)C[C@H](C)OC5=O)C(C)(C)C1=O)C(=O)C3(C)C ZINC000238776959 KK Annotated Anodyne CCCCCCCCCCC[C@@H](O)CCCCC[C@H](CC(=O)O[C@@H](CO)COC(C)=O)OC(C)=O ZINC000238776990 KK Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c1oc1c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000238777010 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)C=C(/C=C2\C=C(C)[C@@H](CC(=O)OC)C(C)(C)OC2=O)C2=CC[C@@H](c3ccoc3)[C@@]21C ZINC000238777021 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)\C=C/C=C(\C)c4ccc(C)c(=O)o4)C(=O)C[C@@H]32)C1(C)C ZINC000238777055 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@]2(C3=CC(=O)C(C)(C)O3)CC[C@@H](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)C3=C2C(=O)C(C)(C)O3)C1 ZINC000238777126 KK Annotated Mild C/C=C\C=C(/C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000238777128 KK Annotated Clean CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@H]2CC[C@](CCC/C(C)=C\[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238777135 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@H]2CC[C@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238777151 KK Annotated Mild CC(=O)Oc1ccc2c(c1)O[C@@H](C=C(C)C)c1c-2oc2cc(OC(C)=O)c(/C=C/C(C)C)c(OC(C)=O)c2c1=O ZINC000238777217 KK Annotated Anodyne CC(C)=CCc1c(O)c(C(=O)C(C)C)c(O)c(C(CCCCC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(=O)C(C)C)c2O)c1O ZINC000238777242 KK Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@H]4[C@H]3O[C@@H]21 ZINC000238777245 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)OC)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000238777256 KK Annotated Anodyne C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)c2ccccc2)[C@@H]2O[C@@H](CC(=O)OC)[C@@](C)([C@H]3CC(=O)OC3(C)C)[C@H]12 ZINC000238777286 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4[C@H](c5ccc(O)cc5)O[C@@H](c5ccc(O)cc5)[C@H]4c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238777322 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2\C(=O)[C@](OC)([C@H](OC)c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000238777405 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(c1)C(=O)c1cc(C)c(-c3c(OC(C)=O)cc4c(c3OC(C)=O)C(=O)c3c(OC(C)=O)cc(C)cc3C4=O)c(OC(C)=O)c1C2=O ZINC000238777408 KK Annotated Clean CO[C@@H](c1ccc(O)cc1)[C@]1(OC)C(=O)/C(=C2/C(=O)/C(=C\c3ccc(O)cc3)c3[nH]c4ccccc4c32)c2c1[nH]c1ccccc21 ZINC000238777417 KK Annotated Mild COc1cc(OC)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)c(OC)c4c2[C@@H](C3)N(C)CC4)cc1C[C@H]1c2cc(OC)c3c(c2CCN1C)OCO3 ZINC000238777419 KK Annotated Anodyne COc1cc(O)c(Cc2ccc(O)cc2)c(/C=C/c2ccc(O)c(OC)c2OC)c1Cc1ccc(O)cc1 ZINC000238777423 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)=C[C@@H](C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000238777448 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]4[C@H]2c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000238777539 KK Annotated Anodyne CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@@H](C)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238777714 KK Annotated Reactive CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\C=C/c1cc(C)c(O)c(Cl)c1 ZINC000238777810 KK Annotated Mild CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/C=C\c1cc(C)c(O)c(Cl)c1 ZINC000238777824 KK Annotated Mild CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C\C=C\C=C/C=C\C=C/C=C\C=C/C=C\c1cc(C)c(O)c(Cl)c1 ZINC000238777830 KK Annotated Mild CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@]1(O)Oc1c(c(O)cc(O)c1[C@H]1C=C(C)C[C@H](c3ccc(O)cc3O)[C@H]1C(=O)c1ccc(O)cc1O)C2=O ZINC000238777840 KK Annotated Anodyne CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C/C=C/C=C\C=C/C=C\C=C/C=C\C=C/c1cc(C)c(O)c(Cl)c1 ZINC000238777841 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](COC(=O)CCC(=O)OC)CC[C@@]2(C)C(C)=CCC[C@@H]21 ZINC000238777850 KK Annotated Mild COc1cc(O)cc(CCc2ccc(Oc3cc(OC)c(O)c4c3-c3ccc(O)cc3CC4)c(OC)c2)c1 ZINC000238777859 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COC(=O)CC(=O)OC/C=C(\C)CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C ZINC000238777871 KK Annotated Anodyne CC(C)=CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(C)C ZINC000238777898 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]1C(=O)c1ccccc1)C2=O ZINC000238777908 KK Annotated Anodyne C=CC1=C(C)C(/C=C2/NC(=O)C(CCC(=O)OC)=C2C)=N/C1=C\c1[nH]c(/C=C2/NC(=O)C(CCC(=O)OC)=C2C)c(C=C)c1C ZINC000238777937 KK Annotated Anodyne C/C=C1C(=C\c2[nH]c(/C=C3/N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@@H]\1C ZINC000238777958 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(CC/C=C\CCCCN[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000238777987 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1cccc(O)c1)=C2O ZINC000238778003 KK Annotated Mild C=C1CC[C@H]2C(C)=CC[C@@H]3[C@@H]([C@@H](C)CC/C=C(\C)COC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@@]3(C)C[C@H]12 ZINC000238778035 KK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(OC(C)=O)CC[C@]3(C)[C@H]1CC[C@]1(C)[C@@H](C)C(=O)CC[C@H]12 ZINC000238778059 KK Annotated Anodyne C=CCCCCCCCCCCCCCC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@](C)(CCCCCCCCCCCCCCCC)O2 ZINC000238778085 KK Annotated Mild C[C@H](CCCCCCC[C@@H]1C[C@H](OS(=O)(=O)O)CCCCCCCCCCC[C@@H](OS(=O)(=O)O)C[C@@H](OS(=O)(=O)O)CCCCCCCCCCC/C=C\C(=O)O1)OS(=O)(=O)O ZINC000238778103 KK Annotated Anodyne CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C/C=C/C=C\C=C\C=C/C=C/C=C/C=C/c1cc(C)c(O)c(Cl)c1 ZINC000238778177 KK Annotated Mild C/C(=C\COc1c2occc2cc2ccc(=O)oc12)COC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000238778179 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@]23C[C@@H]4C(C)(C)c5ccccc5C(=O)[C@@]45C(=O)[C@](CC=C(C)C)(C[C@]1(C)[C@@]25O)C3=O ZINC000238778211 KK Annotated Anodyne CCCCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCCCC)c2O)C1=O ZINC000238778215 KK Annotated Mild C/C=C1C(=C/c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)OC)c(CCC(=O)OC)c2C)/NC(=O)[C@@H]/1C ZINC000238778218 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@H]([C@@]3(C)CC[C@@H]([C@@]4(C)CC[C@@H](C(C)(C)O)O4)O3)O2)O1 ZINC000238778220 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000238778268 KK Annotated Anodyne CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\c1ccc(O)c(Cl)c1 ZINC000238778291 KK Annotated Bother CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/c1ccc(O)c(Cl)c1 ZINC000238778301 KK Annotated Bother C1=C[C@@]23C[C@]45CN6CCCC/C=C\CC[C@@](C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]4CC6)(O2)[C@@H]5N3CCCC1 ZINC000238778305 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@]1(OC3=C(C(C)C)C(=O)C(O)=C4C3=C1C(=O)[C@H]1C(C)(C)CCC[C@]41C)C(=O)[C@@H]1C(C)(C)CCC[C@]21C ZINC000238778310 KK Annotated Mild CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C\C=C\C=C/C=C\C=C/C=C\C=C/c1ccc(O)c(Cl)c1 ZINC000238778311 KK Annotated Bother CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C/C=C\C=C/C=C\C=C/C=C\c1ccc(O)c(Cl)c1 ZINC000238778321 KK Annotated Bother CC(C)=CC/C=C(/C)CC[C@@]1(CCC(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O ZINC000238778345 KK Annotated Mild CC(C)=CC/C=C(\C)CC[C@@]1(CCC(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O ZINC000238778363 KK Annotated Mild CC1=C(/C=C/C(C)=C/[C@H]2C[C@@]3([C@H](O)O2)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]3(C)O)C(C)(C)[C@@H](C)CC1 ZINC000238778395 KK Annotated Reactive CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC3=C(C)CC(C)(C)CC3)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000238778427 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000238778435 KK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@@H]4CCC(=O)[C@H](C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@@]1(C(=O)O)CCC(C)(C)C[C@H]12 ZINC000238778450 KK Annotated Anodyne C=C1C[C@@]23CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3OC(=O)CC(=O)O[C@H]1C[C@]2(C)CC[C@H]1C2(C)C ZINC000238778481 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5c(O)cc6c7c5[C@H]([C@@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@@H]7[C@@H](c5ccc(O)cc5)O6)[C@@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238778539 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(Oc5cc(O)c(O)c(O)c5)c(O)c4)c(O)c3)c2)c(O)c1 ZINC000238778541 KK Annotated Clean Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238778558 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)C[C@@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238778579 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]([C@@](C)(O)C/C=C/C(C)(C)OC)CC[C@]32C)[C@@]1(C)CCCC(=O)O ZINC000238778594 KK Annotated Mild CCCCCCCCCCCCc1cc(OC(=O)/C=C\C=C\C=C\C=C\C=C\C=C\C=C\C=C\c2ccc(OC)c(C)c2)c(C)cc1OC ZINC000238778657 KK Annotated Mild C=CCCCC[C@@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@H](C)CCCCC=C)OC ZINC000238778664 KK Annotated Reactive CCCC/C=C\CCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000238778675 KK Annotated Reactive CCCCCCC[C@H](C/C=C\CCC(=O)N(C)C/C(Cl)=C\[C@@]12O[C@@H]1C[C@H](OC(C)=O)[C@H](C)C2=O)OC ZINC000238778707 KK Annotated Mild CCCCCCC[C@H](C/C=C\CCC(=O)N(C)C/C(Cl)=C/[C@@]12O[C@@H]1C[C@H](OC(C)=O)[C@H](C)C2=O)OC ZINC000238778724 KK Annotated Mild CCCCCCC[C@H](C/C=C/CCC(=O)N(C)C/C(Cl)=C/[C@@]12O[C@@H]1C[C@H](OC(C)=O)[C@H](C)C2=O)OC ZINC000238778736 KK Annotated Mild CCCCCC(=O)C1=C(O)[C@](C)(CC=C(C)C)C(O)=C(Cc2c(OC)cc(O)c(C(=O)CCC)c2O)C1=O ZINC000238778779 KK Annotated Mild O=C1C=C[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CCC1 ZINC000238778782 KK Annotated Mild COc1ccc2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@@H](O)[C@@H]2c1c2c(c3c(c1OC)[C@@H](c1ccc(OC)cc1OC)[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O3)C[C@H](O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238778821 KK Annotated Anodyne Oc1ccc([C@H]2Oc3c(O)cc(/C=C/c4ccc5c(c4)O[C@@H](c4ccc(O)cc4)[C@@H]5c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238778830 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@@]1(CC=C(C)C)C2=O ZINC000238778840 KK Annotated Mild COc1cc(/C=C/C(=O)NCCCCN2CC=C(CC[C@]3(C)[C@@H](C)CC[C@]4(C)C(C(=O)O)=CCC[C@H]43)C2=O)ccc1O ZINC000238778868 KK Annotated Anodyne C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](O)[C@](C)(O)O[C@H](CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000238778888 KK Annotated Anodyne COC1=C(N)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)CC=C(C)C)C1=O ZINC000238778889 KK Annotated Mild COc1ccc([C@H]2c3c(c4c(c5c3O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](O)[C@@H]5c3ccc(OC)cc3OC)O[C@H](c3ccc(OC)c(OC)c3)[C@H](O)C4)O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)c(OC)c1 ZINC000238778929 KK Annotated Anodyne CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)/C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C ZINC000238778946 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](c1c[nH]c2cc(C[C@H]3OC3(C)C)ccc12)C(C)(C)O ZINC000238778953 KK Annotated Anodyne C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C[C@@H]1C=C(C)C[C@]23C(=O)C(O)=C(C(C)C)C(=O)[C@]12[C@H](C=O)[C@H]1C(C)(C)CCC[C@@]13C ZINC000238778955 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccc5c(c4)[C@@H](c4cc(O)cc6c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O6)[C@H](c4ccc(O)cc4)O5)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238778999 KK Annotated Anodyne CC[C@H]1/C=C/[C@H](O)[C@H](C=C(C)C)OC(=O)[C@@]2(C)C=CC(=O)Nc3c2c(C)c2c(c(O)c(C)cc2c3C)C(=O)CC1 ZINC000238779002 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3CC(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000238779056 KK Annotated Mild COC(=O)CCc1c(C)c2cc3cc(C)c(cc4cc(C)c(cc5nc(cc1[nH]2)[C@@H](CCC(=O)OC)C5(C)C)[nH]4)n3 ZINC000238779098 KK Annotated Bother C=C1[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)CC(=O)O[C@H]1C[C@]2(C)CC[C@H]1C2(C)C ZINC000238779131 KK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C)[C@]1(C)CCC=C(C)C)C2=O ZINC000238779142 KK Annotated Mild C=C(C)CC[C@H](C[C@@]12C[C@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000238779182 KK Annotated Mild Oc1ccccc1Cc1ccc(Cc2c(O)c(Cc3ccccc3O)c3c(c2O)[C@H](O)C=C(c2ccccc2)O3)c(O)c1 ZINC000238779217 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)C(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000238779284 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000238779286 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12C[C@@H]3[C@H](C(C(=O)c4ccc(O)c(O)c4)=C1O)[C@@](C/C=C(\C)CCC=C(C)C)(OC3(C)C)C2=O ZINC000238779293 KK Annotated Mild CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(\C)CO)C5=O)C3=O)C=C[C@H](C)O2 ZINC000238779303 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc3c(c(O)c2[C@H](c2ccc(O)cc2O)C4)[C@@H](c2cc(O)cc(O)c2)[C@H](c2cccc(O)c2)O3)cc1 ZINC000238779321 KK Annotated Anodyne COc1cc2c(cc1Oc1cc(C[C@H]3c4cc(OC)c5c(c4CCN3C)OCO5)cc(OC)c1OC)C[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000238779345 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(CCl)CC3 ZINC000238779369 KK Annotated Reactive O=C([C@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2C=C([C@H]3CCCCN3)CCC2)[C@@H]1c1ccccc1)N1C=C([C@@H]2CCCCN2)CCC1 ZINC000238779382 KK Annotated Anodyne C/C(=C\CC[C@](C)(O)[C@H]1CC[C@H]([C@@]2(C)CC[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)O2)O1)CC[C@H]1OC1(C)C ZINC000238779433 KK Annotated Anodyne O=C1C=C2[C@@H]3c4c(cc(O)cc4[C@H]4c5c(O)cc6c(c5[C@@H]5[C@@H](c7ccc(O)cc7)[C@@H]1C(=O)[C@@]25[C@@H]4c1ccc(O)cc1)[C@@H](c1cc(O)cc(O)c1)[C@H](c1ccc(O)cc1)O6)O[C@H]3c1ccc(O)cc1 ZINC000238779465 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1C[C@@H]1[C@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]21C ZINC000238779488 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@H]21)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000238779520 KK Annotated Anodyne CC(C)(C)O/C=C(/C(=O)OC(C)(C)C)[C@H]1C[C@H]2N(CC[C@@]23C(=O)Nc2cccc(O)c23)C[C@@H]1C(C)(C)C(C)(C)C ZINC000238779546 KK Annotated Anodyne Cc1cc(=O)c2c(O)cc(OC(=O)c3ccc(Br)cc3)c([C@H]3CCN(C)C[C@H]3OC(=O)c3ccc(Br)cc3)c2o1 ZINC000238779554 KK Annotated Anodyne CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@H](CO[P@@](=O)(O)OCCN)NC(=O)[C@H](O)CCCCCCCCCCC(C)C ZINC000238779568 KK Annotated Anodyne CCCCCCCCCCC[C@H](CCCCC[C@H](CC(=O)OC(CO)CO)OC(C)=O)OC(C)=O ZINC000238779589 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238779607 KK Annotated Mild CC/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238779612 KK Annotated Mild CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238779618 KK Annotated Mild CC/C=C/C/C=C/C/C=C\C/C=C\C/C=C\CCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238779626 KK Annotated Mild COc1cc([C@H]2[C@H](C(=O)O[Si](C)(C)C)[C@H](c3ccc(O[Si](C)(C)C)c(OC)c3)[C@H]2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C ZINC000238779629 KK Annotated Reactive CC(C)=CCC/C(C)=C\C[C@]12C[C@@H](CC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000238779698 KK Annotated Mild C[C@H]1C[C@@H](c2nccs2)N(C(=O)[C@H](C[C@H](C)C(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)Cl)C1 ZINC000238779702 KK Annotated Reactive C=C(C/C=C\C=C/CC/C=C/CN(C)C(=O)/C=C(/C)OC)c1nc(C[C@H](C)[C@H]2Cc3ccc(C)c(O)c3C(=O)O2)co1 ZINC000238779720 KK Annotated Mild C/C=C1C(=C/c2[nH]c(/C=C3/N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@@H]\1C ZINC000238779728 KK Annotated Anodyne O=C(c1c(O)cc(O)cc1O)[C@H]1c2c(cc(O)c3c2O[C@H](c2ccc(O)cc2)CC3)O[C@@H]1c1ccc(O)cc1 ZINC000238779788 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(OC)c(O)c3c1[C@@H](C2)N(C)CC3)O4 ZINC000238779828 KK Annotated Anodyne C/C=C(\C)Cc1cccc2c(C3=C(OC)C(=O)C(c4c(/C=C/C(C)C)[nH]c5ccccc45)=C(OC)C3=O)c[nH]c12 ZINC000238779851 KK Annotated Mild CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C/CC[C@H](O)[C@@H](OC(N)=O)CC[C@H](C)C[C@@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238779892 KK Annotated Anodyne CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@]1(Oc3c(c4c(c(O)c3C(C)C)C(=O)C(=O)[C@H]3C(C)(C)CCC[C@]43C)O1)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238779918 KK Annotated Mild CCCCC/C=C/[C@H](O)CCCCC/C=C/[C@H](CCCCCCCC(=O)O[C@H](C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000238779985 KK Annotated Anodyne CC(=O)Oc1cc(C)c(OC(C)=O)c(C/C=C(\C)CC2=C[C@]3(C)CCC[C@]3(C)[C@@]3(C[C@@H](OC(C)=O)C(C)(C)O3)O2)c1 ZINC000238780065 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4=CC[C@@]3(C)[C@]1(C)CC2 ZINC000238780073 KK Annotated Anodyne O[C@]12C=C([C@@H]3c4[nH]c5ccccc5c4CCN3CCc3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCC/C=C\CCC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000238780080 KK Annotated Anodyne C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CC(=O)OCc2cn([Si](C)(C)C)c3ccccc23)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C ZINC000238780091 KK Annotated Reactive CC1=C[C@@H](C2=C(C)[C@H]3/C=C(\C)[C@H](O)CC[C@H]4C[C@H](C)[C@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000238780109 KK Annotated Anodyne C[C@@H]1CN2CC[C@@H]3[C@@H]4C=C(CC/C=C\CCC[C@@H]1O)[C@H]1N(CCCCc5nc6c(O)cccc6c(CCN)c5/C=C\CC[C@@]31C2)C4 ZINC000238780118 KK Annotated Anodyne O=CN1CCCCCCCCCC[C@@]23C[C@@H]4C(=O)N(CCC/C=C\C/C=C\C[C@@H](O)/C=C\2C(=O)[C@@H]4CC1)C3 ZINC000238780128 KK Annotated Mild CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238780180 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC(C)=O)[C@H]2c1c(OC)cc(OC)c2c1O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC(C)=O)C2 ZINC000238780209 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1OC)[C@@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@H](C[C@@H](OC(C)=O)CC2)N13 ZINC000238780214 KK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1C[C@H](OS(=O)(=O)O)[C@@H](C)CCC/C(C)=C/Cc1cc(O)ccc1O ZINC000238780252 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c2c(c3c1O[C@@H](C(C)(C)O)C3)O[C@]13C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]3(C/C=C(\C)C(=O)O)C4=O)C2=O ZINC000238780383 KK Annotated Mild CCC(=O)O[C@@H](/C(C)=C/[C@H](C)c1oc([C@H](C)[C@@H](O)CC)c(C)c(=O)c1C)[C@H](C)[C@H](OC(C)=O)[C@@H](C)c1oc(CC)c(C)c(=O)c1C ZINC000238780401 KK Annotated Anodyne C/C=C1/CN2CC[C@@H]1[C@@]1(C[C@H]3C[C@H]4/C(=C\C)CN(C)[C@H](Cc5c3n1c1ccccc51)[C@H]4C(=O)OC)c1[nH]c3ccccc3c1C2 ZINC000238780412 KK Annotated Anodyne C#C[C@@H](O)/C=C/[C@H](O)CCC[C@@H](O)CC#C[C@H](O)C#CCCCC[C@@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000238780424 KK Annotated Mild CC(C)=Cc1cc(CCC/C(C)=C/Cc2c(O)cc(C)cc2O)c(C2=C(C)C(=O)C(O)=C(C/C=C(\C)CC/C=C(\C)C[C@@H](O)C=C(C)C)C2=O)o1 ZINC000238780434 KK Annotated Mild O[C@]12C=C([C@@H]3c4[nH]c5ccccc5c4CCN3CCc3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCC/C=C/CCC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000238780435 KK Annotated Anodyne O[C@]12C=C([C@@H]3c4[nH]c5ccccc5c4CCN3CCc3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCC/C=C\CCC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000238780442 KK Annotated Anodyne COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)C3=C(C)[C@@](C)(O)[C@@]4(O)Cc5c(C)c(OC)c(C(=O)Oc6c(C)c(C)c(C(=O)O)c(OC)c6C)c(C)c5O[C@@]4(C)C3=O)c(C)c2OC)c(C)c(C)c1C(=O)O ZINC000238780446 KK Annotated Mild O[C@]12C=C([C@@H]3c4[nH]c5ccccc5c4CCN3CCc3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCC/C=C/CCC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000238780450 KK Annotated Anodyne COC(OC)c1ccc(-c2ccc(O)cc2)c(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1 ZINC000238780462 KK Annotated Mild CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=CC(=O)C[C@@H]1C(C)(C)O[C@@]41CC=C(C)C(=O)O1)C3=O)C=CC(C)(C)O2 ZINC000238780476 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2c3c(cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)O[C@@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc3c2[C@H]4[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238780482 KK Annotated Anodyne C=C(COC(=O)CCCCCCCCCCCCCCC)[C@@H]1/C=C/C2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C(=O)OC)c(o2)C1 ZINC000238780484 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C[C@@H](c3cc(O)cc(O)c3)C(C)=C[C@@H]2c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)c1O ZINC000238780501 KK Annotated Anodyne CC(=O)OCC[C@@]1(C)[C@H]([C@H]2CC=C3C[C@H](OC(=O)c4ccc(I)cc4)CC[C@]3(C)C2=O)CC[C@@H]1[C@@H](C)[C@H]1C[C@]1(C)[C@H](C)C(C)C ZINC000238780511 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C[C@@H](c3ccc(O)cc3O)C(C)=C[C@@H]2c2c(O)cc3oc(-c4ccc(O)cc4O)cc(=O)c3c2O)c1O ZINC000238780541 KK Annotated Anodyne CC(C)=CC/C=C(\C)CC[C@]1(CCC(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O ZINC000238780546 KK Annotated Mild CC(C)=CCC/C(C)=C\CC/C(C)=C\C[C@]12C[C@@H]3[C@H](C(C(=O)c4ccc(O)c(O)c4)=C1O)[C@@](C/C=C(\C)CCC=C(C)C)(OC3(C)C)C2=O ZINC000238780592 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\C[C@]12C[C@@H]3[C@H](C(C(=O)c4ccc(O)c(O)c4)=C1O)[C@@](C/C=C(\C)CCC=C(C)C)(OC3(C)C)C2=O ZINC000238780601 KK Annotated Mild CC(C)=CCC/C(C)=C\CC/C(C)=C/C[C@]12C[C@@H]3[C@H](C(C(=O)c4ccc(O)c(O)c4)=C1O)[C@@](C/C=C(\C)CCC=C(C)C)(OC3(C)C)C2=O ZINC000238780609 KK Annotated Mild C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(COC(=O)/C=C\c5ccc(O)cc5)[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000238780614 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(=O)c1ccccc1)[C@H](C)[C@H](C)[C@@H]2OC(C)=O ZINC000238780664 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]21C ZINC000238780750 KK Annotated Mild CCCCC/C=C/C=C/C(=O)O[C@H]1[C@@H](O)C[C@H](c2ccc3c(c2O)C(=O)c2ccc4cc(C)cc(O)c4c2C3=O)O[C@@H]1C ZINC000238780773 KK Annotated Clean CCC/C(=C(C(=O)O[C@@H]1CCN2Cc3ccccc3N=C12)\C(C(=O)O[C@@H]1CCN2Cc3ccccc3N=C12)=C(/CCC)c1ccccc1)c1ccccc1 ZINC000238780801 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(C[C@H]3CCC(C)(C)C=C3C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000238780831 KK Annotated Mild CC1(C)[C@H](Br)CC[C@@H](O)[C@@H]1CC[C@]1(C)O[C@](C)([C@H](O)CCl)CC[C@H]1Br ZINC000238780836 KK Annotated Reactive C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(ccc([C@@H]2C[C@@](C)(N(C)C)[C@@H](OC(C)=O)[C@H](C)O2)c1O)C3=O ZINC000238780882 KK Annotated Clean COC1=CN[C@H](C(=O)CCC(=O)c2ncc(OC)c3c2[nH]c2c(OC)cccc23)c2[nH]c3c(OC)cccc3c21 ZINC000238780883 KK Annotated Anodyne CC(=O)c1cccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC=C5[C@@H]6[C@@H](C)[C@H](C)CC[C@]6(C(=O)O)CC[C@H]5[C@]4(C)CC[C@@]3(C)C2(C)C)c1 ZINC000238780895 KK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)OC)c5CC(=O)OC)c(CC)c4C)c(CC)c3C ZINC000238780909 KK Annotated Bother C/C1=C\[C@@H](C)[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)C1 ZINC000238780912 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3cc(O)cc(O)c3)c(O)c1C2=O ZINC000238780946 KK Annotated Anodyne CC1=C(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@@H]2C(=O)[C@H]1O[C@H]1C(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@](O)(CCc2ccoc2)[C@@H]1C ZINC000238780966 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@@]1(c3cc(OC)c(OC)c(OC)c3)Oc3cc(OC)c4c(c3[C@@H]2[C@@H]1OC(C)=O)O[C@@H](c1ccc(OC)c(OC)c1)[C@H](OC(C)=O)C4 ZINC000238780967 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H](CCl)C[C@H]4[C@@]3(C)CC[C@@H]3[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)C[C@@]34C)[C@@H]2C1 ZINC000238780986 KK Annotated Reactive Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2cc(O)cc(O)c2)[C@@H]5c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238781000 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]23O[C@]45C(=O)N/C(=C/c6c(C(C)(C)C=C)[nH]c7ccccc67)C(=O)N4CC[C@@H]5[C@H]2CCN3C1=O ZINC000238781028 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/NC(=O)[C@]23O[C@]45C(=O)N/C(=C/c6c(C(C)(C)C=C)[nH]c7ccccc67)C(=O)N4CC[C@@H]5[C@H]2CCN3C1=O ZINC000238781033 KK Annotated Mild COc1cc2c(c(Oc3ccc(C[C@H]4c5cc6c(c(OC)c5CCN4C)OCO6)cc3)c1OC)C[C@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000238781045 KK Annotated Anodyne CCc1oc([C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)c2oc([C@H](C)[C@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000238781087 KK Annotated Anodyne CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)cc1O ZINC000238781114 KK Annotated Mild C#CC/C=C\CCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000238781132 KK Annotated Mild O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23CCNC2=C3c3nccc4c[nH]c(c34)C2=O)[C@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000238781145 KK Annotated Reactive COc1c(Br)cc2c(c1Br)N/C(=C1\Nc3cc(Br)ccc3C1=O)C2=O ZINC000238781163 KK Annotated Mild O=C(c1ccc(O)cc1O)[C@@H]1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2O)[C@H]1Cc1ccc(O)cc1 ZINC000238781170 KK Annotated Anodyne COc1cc2c(c(O)c1-c1c(OC)cc3c(c1O)C(=O)c1c(O)cc(C)cc1C3)C(=O)c1c(O)cc(C)cc1C2 ZINC000238781195 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000238781224 KK Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)O[Si](C)(C)C)[C@H](c3ccc(O[Si](C)(C)C)cc3)[C@H]2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C ZINC000238781233 KK Annotated Reactive Oc1ccc(/C=C2/c3cc(O)cc4c3[C@@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c32)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000238781245 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](OC(C)=O)/C=C3\C[C@@](C)(CC[C@H]3OC(=O)/C=C/c3ccccc3)C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C ZINC000238781248 KK Annotated Anodyne C=CC(C)(C)c1cc2c3c4c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)[C@@H]1Oc2c5c(c(C(C)(C)C=C)c6oc(=O)c(C(C)(C)C=C)cc26)OC(C)(C)[C@H](O3)[C@@H]5[C@H]41 ZINC000238781278 KK Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO ZINC000238781308 KK Annotated Mild CCCCCCCCCCCCC/C(C)=C\COCCCCCCCC[C@H](C)C[C@H](C)CCC(C)C ZINC000238781344 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2O)[C@H](OC(=O)/C=C/c2ccccc2)[C@@H](C)[C@H]1C ZINC000238781345 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000238781360 KK Annotated Anodyne Oc1ccccc1Cc1ccc(Cc2c(O)c(Cc3ccccc3O)c(O)c3c2OC(c2ccccc2)=C[C@H]3O)c(O)c1 ZINC000238781361 KK Annotated Anodyne C=C(C)[C@@H]1C[C@H](O)[C@@H]2[C@]3(C)[C@@H](C)C=C([C@@](C)(O)CC/C=C(/C)C(=O)O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O ZINC000238781401 KK Annotated Mild COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C\[C@H](C)C[C@H](C)O)c1ccc(O)cc1 ZINC000238781407 KK Annotated Anodyne CC(C)=C/C=C\[C@@]1(C)CCc2c(O)c(C(=O)O[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000238781415 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H]2[C@H](c3c(O)cc(O)cc3[C@@H]3c5c(cc(O)cc5[C@H]2c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)[C@H]4c2ccc(O)cc2)cc1 ZINC000238781426 KK Annotated Anodyne COc1ccc(C[C@@]2(OC)Oc3c(c(OC)cc(OC)c3[C@H]3Oc4cc(OC)cc(OC)c4C(=O)[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000238781511 KK Annotated Anodyne C=C(O[C@H]1C(=C)[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C\[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@H]12)c1ccccc1 ZINC000238781544 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)[C@]1(C(=O)C(C)C)C2=O ZINC000238781578 KK Annotated Mild C=C(C)[C@H]1CC[C@H](C)[C@]23CC=C(C)[C@@]2(C1)Oc1cc2c(c(C)c1O3)C(=O)C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3CCC(=O)C[C@]3(C)CC[C@]12C ZINC000238781590 KK Annotated Mild O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C\CCCC(=O)O)c3ccccc3)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000238781642 KK Annotated Anodyne O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000238781648 KK Annotated Anodyne O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c([C@H](/C=C/CCCC(=O)O)c2ccccc2)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238781652 KK Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C\C[C@@H](O)/C=C(\C)C(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O ZINC000238781661 KK Annotated Mild CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@@H](O)/C=C(/C)C(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O ZINC000238781666 KK Annotated Mild CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C\C[C@@H](O)/C=C(/C)C(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O ZINC000238781670 KK Annotated Mild Cc1cc(O)c2c3c(=O)c(O)cc4c(O)c5c(O)cc(O)c6c7c(=O)c(O)cc8c(C)c1c2c(c87)c(c56)c43 ZINC000238781732 KK Annotated Bother COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000238781749 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1ccc(OC)c(OC)c1)[C@H](OC(C)=O)[C@H]2c1c(OC)cc2c(c1OC)C[C@H](OC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000238781770 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H]4C(C)(C)CC[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238781794 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C(C=C[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)CC[C@H]([C@@](C)(O)[C@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000238781798 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCc1c(O)c(OC)cc2c1[C@@]1(CCCCCCCCC/C=C\CCCC)C(=O)C(OC)=CC(=O)[C@]1(O)O2 ZINC000238781807 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]4[C@H]2c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000238781859 KK Annotated Anodyne COC1=C[C@@H]2CCN=C3Cc4ccc(cc4)Oc4c(OC)c(OC)cc5c4[C@@H](Cc4ccc(cc4)COC1=C(O)[C@@H]32)N(C)CC5 ZINC000238781862 KK Annotated Anodyne COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)OC[C@@]3(O)C[C@@]45CC[C@H]6C(C)(C)CCC[C@@]6(C)[C@@H]4CC[C@@H]3C5)cc3c(c12)OCO3 ZINC000238781907 KK Annotated Bother CC(=O)OC[C@@]12CC[C@@]3(C)[C@@H]4CC[C@H](O)[C@H](C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@@]1(C(=O)O)CCC(C)(C)C[C@H]12 ZINC000238781929 KK Annotated Anodyne C[C@H]1O[C@H](C)[C@H]2Oc3cc(O)c4c(=O)c5c6c7c8c(cc(=O)c9c(O)c1c2c(c3c47)c98)O[C@@H]6[C@@H](C)O[C@@H]5C ZINC000238781953 KK Annotated Bother C=C(C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000238781966 KK Annotated Mild CCCCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238781978 KK Annotated Mild CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1NCCc2cc(c(cc21)O4)O3 ZINC000238781991 KK Annotated Anodyne O=C(CCc1ccccc1)[C@@H]1C(=O)[C@H](Cc2ccccc2)[C@@](O)(CCc2ccccc2)C[C@H]1CCc1ccccc1 ZINC000238781998 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@H]2C=CC3=C(C(=O)O[C@]3(C)O)[C@@]12C ZINC000238781999 KK Annotated Anodyne COc1c(O)c2c3c4c1Oc1cc5ccnc(c5cc1O4)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000238782004 KK Annotated Anodyne CC(C)=CCC1=C2OC(C)(C)[C@H](O)[C@H]3/C=C(\C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)c1ccccc1 ZINC000238782009 KK Annotated Mild CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@@]1(OC3=C(C(C)C)C(=O)C(O)=C4C3=C1C(=O)[C@H]1C(C)(C)CCC[C@]41C)C(=O)[C@H]1C(C)(C)CCC[C@]21C ZINC000238782013 KK Annotated Mild COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3cc2c1-c1c(O)cc2cc(O)c3c(=O)cc(C)oc3c2c1OC ZINC000238782017 KK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(c(C)c(C)c(O)c2-c2c(O)c(C)c(C)c3c2CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)O1 ZINC000238782071 KK Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)[C@@H]3C[C@@H](O)C[C@H](C(=O)N[C@H]4[C@H](C(C)C)CC[C@@]5(C)CCCC(=C)[C@H]45)N3CC(=O)OC)[C@@H]12 ZINC000238782154 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@H]3C[C@H]4C(C)(C)O[C@]1(O)[C@@]4(CC=C(C)C)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000238782194 KK Annotated Anodyne CCCCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@@H](NC(=O)[C@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](CC)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000238782211 KK Annotated Mild COc1ccc(CC/C(O)=C2\C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(CC=C(C)C)C2=O)cc1 ZINC000238782226 KK Annotated Mild COc1ccc2[nH]c3c(-c4c(O)c(C)cc5c4[nH]c4ccc(OC)c(CC=C(C)C)c45)c(O)c(C)cc3c2c1CC=C(C)C ZINC000238782238 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000238782290 KK Annotated Anodyne CC[C@@H](C)C(=O)[C@]12C(=O)C3=C(OC(C)(C)C=C3)[C@](CC=C(C)C)(C[C@H](C/C=C(/C)CCC=C(C)C)C1(C)C)C2=O ZINC000238782371 KK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1C/C=C(\C)[C@@H]1CCc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O1 ZINC000238782408 KK Annotated Mild COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1[C@H](C=C(C)C)c1cc(C(=O)O)cc(CC=C(C)C)c1O ZINC000238782475 KK Annotated Anodyne CC(C)=CCCC/C(C)=C/C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(C)c(C)c3)=C1O)C2=O ZINC000238782479 KK Annotated Mild CC(C)=CCCC/C(C)=C\C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(C)c(C)c3)=C1O)C2=O ZINC000238782486 KK Annotated Mild C/C(=C\C[N+]1=C=[N+](C)c2nncc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@H]21 ZINC000238782504 KK Annotated Unstable CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000238782517 KK Annotated Mild CCCCCCCCCCCC[C@H](O)[C@H]1CC[C@@H]([C@H](O)CCCCCCCCCCCCCCC2=C[C@@H](C)OC2=O)O1 ZINC000238782525 KK Annotated Mild C=C(C)[C@H](C/C=C(\C)C(=O)O)C[C@@]1(CC=C(C)C)C(O)=C(C(=O)c2ccccc2)C(=O)C2=C1OC(C)(C)C=C2 ZINC000238782532 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000238782566 KK Annotated Mild CC(C)=CC[C@]12Oc3cc(O)c([C@H]4C=C(C)C[C@H](c5ccc(O)cc5O)[C@H]4C(=O)c4ccc5c(c4O)CCC(C)(C)O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000238782573 KK Annotated Anodyne COC1=C(Oc2ccc(C[C@@H]3c4c(cc(O)c(OC)c4Oc4cc5c(cc4OC)CCN(C)C5=O)CCN3C)cc2)C[C@@H](C=O)C=C1 ZINC000238782626 KK Annotated Mild COc1cc([C@H](OC(C)=O)[C@@H](COC(C)=O)Oc2c(OC)cc([C@@H]3OC[C@@H]4[C@H]3CO[C@H]4c3ccc(OC(C)=O)c(OC)c3)cc2OC)ccc1OC(C)=O ZINC000238782678 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1CCCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O ZINC000238782680 KK Annotated Mild COC(C)(C)[C@@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000238782682 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000238782689 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H](c5ccc(O)cc5)c5c(O)cc6c(c5[C@@H]23)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O6)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238782700 KK Annotated Anodyne C=C(C)[C@H]1CC[C@H]([C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2O)C3=O)C1(C)C ZINC000238782714 KK Annotated Mild CCOC(=O)[C@@]12CCC3=C(CC[C@H]4[C@@]3(C)CC[C@H]3[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)C[C@@]34C)[C@@H]1CC(C)(C)CC2 ZINC000238782718 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000238782732 KK 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/COC(=O)CCCCCCCCC ZINC000238782743 KK 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\COC(=O)CCCCCCCCC ZINC000238782747 KK Annotated Mild Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2ccc(O)cc2)[C@@H]5c2cc(O)cc(O)c2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000238782768 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@@H]2[C@@H](c3ccc(O)cc3)c3c(O)cc5c(c3[C@@H]2[C@H]4c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O5)cc1 ZINC000238782794 KK Annotated Anodyne C=C/C(=C/C[C@@]1(C)[C@@H](C)[C@H](O)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O)CO ZINC000238782895 KK Annotated Mild CC1=CCC[C@@H](C)[C@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c(C(=O)C(=O)O)ccc(O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000238782901 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)[C@H](O)C3)C1=O ZINC000238782954 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)[C@H](O)C3)C1=O ZINC000238782961 KK Annotated Mild COC1=CC2=C3[C@H](Cc4cc(O)c(OC)c(c4)Oc4ccc(cc4)C[C@H]4c5cc6c(cc5CCN4C)OC[C@@]3(O6)C1=O)N(C)CC2 ZINC000238782970 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(=CC3=CC[C@]2(C)[C@H]1[C@H](C)NC(=O)c1ccccc1)CC[C@H](N(C)C)C4(C)C ZINC000238782979 KK Annotated Anodyne O=C1C=C2O[C@@H](c3ccc(O)cc3)[C@H]3C2=C(C1=O)[C@H]([C@@H]1c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1)[C@H](c1ccc(O)cc1)O4)[C@H](c1ccc(O)cc1)c1c(O)cc(O)cc13 ZINC000238783069 KK Annotated Mild CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@@]4(CC[C@@]5(C)C6=C(C=C[C@@]53OC4=O)C(C)(C)[C@@H](OC(=O)c3ccccc3)CC6)[C@@H]2C1 ZINC000238783073 KK Annotated Anodyne C/C(=C/CO)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000238783142 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(c(OC)cc31)Oc1c(OC)c(O)cc3c1[C@H](C2)N(C)CC3 ZINC000238783159 KK Annotated Anodyne COc1cc(-c2c([C@@H]3O[C@@H](OC4CCC5(CC4)CN=CO5)[C@@H](C)[C@@H]3C)cc3c(c2OC)OCO3)cc(OC)c1O ZINC000238783174 KK Annotated Anodyne CC1=C[C@@H](c2cc(/C=C/c3cc(O)cc(O)c3)c(O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000238783202 KK Annotated Anodyne COC1=C[C@@H]2CCN(C)[C@H]3Cc4ccc(O)c(c4)Oc4ccc(cc4)C[C@H]4c5cc(OC)c(O)c(c5CCN4C)OC1=C[C@H]32 ZINC000238783211 KK Annotated Anodyne C=C(/C=C/C=C(/COC(C)=O)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C ZINC000238783222 KK Annotated Reactive COc1cc(O)c2c(=O)c3c(O)c(-c4c(O)cc5oc6c(O)cc(-c7c(O)cc(O)c8c(=O)c9cc(O)c(O)cc9oc78)c(O)c6c(=O)c5c4O)cc(O)c3oc2c1 ZINC000238783243 KK Annotated Clean O=c1c2cc(O)c(O)cc2oc2c(-c3cc(O)c4oc5cc(O)c(-c6cc(O)c7oc8cc(O)cc(O)c8c(=O)c7c6O)c(O)c5c(=O)c4c3O)c(O)cc(O)c12 ZINC000238783251 KK Annotated Clean C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\CC(=O)[C@@]2(C[C@@H](C)C=C[C@H]2CCc2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238783297 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/CC(=O)[C@@]2(C[C@@H](C)C=C[C@H]2CCc2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238783300 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238783387 KK Annotated Mild C=C(C)[C@H]1CC=C(CCC[C@@H](C)CO[C@H]2OC[C@H](OC(=O)/C(C)=C/CCC3=CC[C@@H](C(=C)C)CC3=O)[C@@H](O)[C@@H]2O)CC1 ZINC000238783394 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCC2=C(C)C(=O)c3ccccc3[C@@H]2O1 ZINC000238783401 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCC2=C(C)C(=O)c3ccccc3[C@@H]2O1 ZINC000238783406 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCC2=C(C)C(=O)c3ccccc3[C@@H]2O1 ZINC000238783411 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2cc(OC)c(O)c([C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CCC=C(C)C)c2)ccc1O ZINC000238783441 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@]3(C)C=C[C@@H]([C@@H](C)CCC=C(C)C)C[C@@H]3O)c(OC)c2)ccc1O ZINC000238783449 KK Annotated Mild O=C(c1ccc(O)cc1)[C@H](c1cc(O)cc2c1[C@H](c1cc(O)cc(O)c1)[C@@H](c1ccc(O)cc1)O2)[C@@H]1c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2[C@@H]1c1ccc(O)cc1)[C@@H](c1ccc(O)cc1)O3 ZINC000238783462 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)NC[C@H](O)c1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000238783468 KK Annotated Mild CC(=O)O[C@@]1(C)C(=O)O[C@@H]2C[C@H]1C[C@H]2[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@H]1O[C@@]12C=CC(=O)OC(C)(C)[C@@H]2CC3 ZINC000238783475 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(=O)c1ccccc1)[C@](C)(O)[C@H](C)[C@@H]2OC(C)=O ZINC000238783507 KK Annotated Anodyne C=C[C@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000238783533 KK Annotated Mild CC(/C=C\c1c(C)ccc(C)c1C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C ZINC000238783534 KK Annotated Bother CC(=O)OC[C@@]1(C)[C@@H](NC(=O)c2ccccc2)CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]21 ZINC000238783568 KK Annotated Anodyne C=C1[C@@H](OC(C)=O)[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C\[C@H]2[C@H](C[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000238783620 KK Annotated Mild C=C1[C@@H](OC(C)=O)[C@@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@H]2[C@H](C[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000238783623 KK Annotated Mild C/C=C(/C)C(=O)Oc1c(OC)cc([C@H]2OC[C@@H]3[C@@H](c4cc(OC)c(OC(=O)/C(C)=C\C)c(OC)c4)OC[C@H]23)cc1OC ZINC000238783651 KK Annotated Anodyne COC(C)(C)[C@H](O)COc1c2c(cc3ccoc13)C=C[C@@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000238783682 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000238783753 KK Annotated Mild C=C1c2[nH]c3cccc([C@H]4C[C@H]5/C(=C\C)CN(C)[C@@H](Cc6c4[nH]c4ccccc64)[C@@H]5C(=O)OC)c3c2CN2CC[C@H]1/C(=C\C)C2 ZINC000238783772 KK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCCCC#CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238783790 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCC#CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238783795 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)CCC(C)(C)C[C@@]5(O)C4=CC[C@]23O)C1(C)C ZINC000238783821 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1OC)Oc1ccc(cc1)C[C@H]3N(C)CC2)[N+](C)([O-])CC4 ZINC000238783856 KK Annotated Bother Oc1nc(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2c1O ZINC000238783863 KK Annotated Anodyne COc1cccc2c1Oc1ccc(cc1)Cc1nccc3cc(OC)c4c(c13)Oc1cc3c(cc1O4)CCN(C)[C@H]3C2 ZINC000238783888 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@@]1(C)CC[C@@]3(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]3[C@]1(C)CC2 ZINC000238783902 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000238783903 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@@H](C)/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000238783906 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)\C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000238783909 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@@H](C)/C=C(C)\C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000238783912 KK Annotated Anodyne CCCCCCCCCCCCCCCc1ccc2c(oc3cc(CCCCCCC[C@H](O)CCCCCCC)c(OC)c(OC)c32)c1OC ZINC000238783918 KK Annotated Mild CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000238783932 KK Annotated Anodyne O=C(/C=C\[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000238783984 KK Annotated Anodyne CCOC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C\[C@H](C)C[C@H](C)O)c1ccc(O)cc1 ZINC000238783986 KK Annotated Anodyne CC(=O)OCC[C@@H](CCCCCCCCCCCCCCCCCCCCCCCC(C)C)OC(C)=O ZINC000238784049 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC(COC(=O)c2ccc(/N=N\c3ccc([N+](=O)[O-])cc3)cc2)=C[C@@H]2[C@]3(OC(C)=O)C(=O)C(C)=C[C@@H]3[C@H]3[C@]2([C@H]1C)[C@@]3(O)C(C)(C)O ZINC000238784053 KK Annotated Mild C=C(C)[C@@H]1Cc2c(oc3c(C/C=C(/C)CCC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)-c2c(O)cc(O)c(O)c21 ZINC000238784099 KK Annotated Mild O=C(O)CCC[C@@H](/C=C\c1ccccc1)c1c(O)c([C@@H](/C=C\c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238784126 KK Annotated Anodyne O=C(O)CCC[C@@H](/C=C\c1ccccc1)c1c(O)c([C@@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238784128 KK Annotated Anodyne O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c([C@@H](/C=C\c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238784131 KK Annotated Anodyne CC(=O)O[C@@H](C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O)/C(C)=C/[C@H](O)C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000238784138 KK Annotated Mild CC(=O)O[C@@H](C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O)/C(C)=C\[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000238784144 KK Annotated Mild CC(=O)O[C@@H](C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O)/C(C)=C\[C@H](O)C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000238784146 KK Annotated Mild CC(C)CC(=O)c1c(O)c2c(c3c1O[C@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000238784161 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OCC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000238784233 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC=C2C1(C)C ZINC000238784267 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)C1=C2O[C@H](C(C)(C)O)[C@@H]1O ZINC000238784275 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000238784329 KK Annotated Anodyne O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)c(O)c2)C=C1 ZINC000238784337 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=C(O)C(=O)C(C(C)(C)O)=CC3=C[C@@H]3Oc4c(C(C)(C)O)cc5c(c4O[C@]32C1(C)C)CC1=CCCC(C)(C)[C@@H]1C[C@H]5O ZINC000238784344 KK Annotated Mild COc1cc2c(c(O)c1C(=O)/C=C/c1ccccc1)[C@@H](C[C@@H](O)CCc1ccc(O)cc1)C[C@H](c1ccc(O)cc1)O2 ZINC000238784346 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCc1cc(O)cc(O)c1C1=C(CCCCCCC/C=C\CCCC)C(=O)C(OC)=CC1=O ZINC000238784368 KK Annotated Mild CCCC/C=C\CCCCCCCC1=C(c2c(O)cc(O)cc2CCCCCCCCCCC/C=C/CCCC)C(=O)C=C(OC)C1=O ZINC000238784371 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCc1cc(O)cc(O)c1C1=C(CCCCCCC/C=C/CCCC)C(=O)C(OC)=CC1=O ZINC000238784376 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCc1cc(O)cc(O)c1C1=C(CCCCCCC/C=C/CCCC)C(=O)C(OC)=CC1=O ZINC000238784378 KK Annotated Mild COc1ccc([C@H]2c3c4c(c5c(c3O[C@H](c3ccc(OC)c(OC)c3)[C@H]2O)[C@@H](c2ccc(OC)cc2OC)[C@H](O)[C@H](c2ccc(OC)c(OC)c2)O5)C[C@@H](O)[C@H](c2ccc(OC)c(OC)c2)O4)c(OC)c1 ZINC000238784488 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c(-c6ccc7c(c6O)NC6=C(C(=O)OC)C[C@]8(CC)C=CCN9CC[C@@]67[C@@H]98)c(O)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000238784495 KK Annotated Anodyne Cc1cc2c(cc1O)C1=C(C3=C[C@H]4c5cc(O)c(C)cc5C=C[C@@H]4C(C)(C)C3=O)C(=O)C(C)(C)C1=CC2=O ZINC000238784549 KK Annotated Mild COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000238784556 KK Annotated Anodyne COc1cc(/C=C\C(=O)/C=C(O)\C=C/c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@H]3[C@@H](C)CCC=C(C)C)c2)ccc1O ZINC000238784636 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)\C=C\c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@H]3[C@@H](C)CCC=C(C)C)c2)ccc1O ZINC000238784639 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)/C=C\c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@H]3[C@@H](C)CCC=C(C)C)c2)ccc1O ZINC000238784641 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@H]3[C@@H](C)CCC=C(C)C)c2)ccc1O ZINC000238784645 KK Annotated Mild COc1cc(/C=C\C(O)=C/C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@H](C=C3C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000238784648 KK Annotated Mild COc1cc(/C=C\C(O)=C\C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@H](C=C3C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000238784649 KK Annotated Mild COc1cc(/C=C/C(O)=C\C(=O)[C@@H]2[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@H](C=C3C)[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000238784653 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/c1ccc2c(c1)O[C@H](c1cc(OC)c(O)c(OC)c1)[C@@H](COC(C)=O)O2 ZINC000238784658 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(C)c(C)c4)=C2OC1(C)C)C3=O ZINC000238784737 KK Annotated Mild C/C=C1/CN2CC[C@@]34Cc5cc6c7c([nH]c6cc5O[C@@]35[C@@H]2C[C@H]1[C@@H](C(=O)OC)N5c1ccccc14)CC[C@@]1(CC)CCCN(CC7)C1 ZINC000238784757 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(OC)c4c(c3[C@H]2Cc2c(O)cc(OC)c3c2ccc2cc(O)ccc23)CCc2cc(O)ccc2-4)ccc1O ZINC000238784834 KK Annotated Bother CCCCCC[C@H](C)CCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@]3(C=C(Br)C(OC)=C(Br)[C@@H]3O)C2)c(Br)c1 ZINC000238784870 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1CCCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](OC(C)=O)[C@@H](O)[C@@H]2O ZINC000238784874 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C3O[C@@H](C(C)(C)O)C[C@@]31C2=O ZINC000238784901 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@]2(C3=CC(=O)C(C)(C)O3)CC[C@H](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)C3=C2C(=O)C(C)(C)O3)C1 ZINC000238784916 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@H]2CC[C@@](CCC/C(C)=C\[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238784919 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@H]2CC[C@@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238784921 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@]2(C3=CC(=O)C(C)(C)O3)CC[C@@H](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)C3=C2C(=O)C(C)(C)O3)C1 ZINC000238784925 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@H]2CC[C@@](CCC/C(C)=C\[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238784929 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@H]2CC[C@@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238784932 KK Annotated Mild COC1=C(CC=C(C)C)C(=O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C(C)(C)[C@@]1(C(=O)c1ccccc1)C2=O ZINC000238784962 KK Annotated Mild C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)[C@H](C)CC)[C@@H]2O[C@H]3CC(=O)OC(C)(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H]12 ZINC000238784964 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@]1(C)CC[C@@]3(C)[C@@H]4CCC(=O)[C@H](C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC2 ZINC000238784978 KK Annotated Mild Oc1ccc([C@@H]2Oc3cc(O)c4c(c3[C@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3ccccc3)c3c(O)cc5c(c3[C@H]2[C@@H]4c2ccc(O)cc2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)cc1 ZINC000238784990 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C2/OC(=O)C(Br)=C2c2cc(Br)c(OC(C)=O)c(Br)c2)cc1Br ZINC000238785013 KK Annotated Anodyne CC[C@]12CCCN3CC[C@]4(c5c(O)ccc([C@H]6C[C@@]7(CC)CCCN8CCc9c(n6c6ccccc96)[C@H]87)c5N[C@@H]4CC1)[C@@H]32 ZINC000238785016 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)[C@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c4ccccc4)(C(=O)C(CC=C(C)C)=C2O1)C3=O ZINC000238785045 KK Annotated Mild CC(=O)O[C@]12C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]1/C=C(\C)[C@H](OC(=O)c1ccccc1)CC(=O)C(C)(C)/C=C/[C@@H](C)C2=O ZINC000238785140 KK Annotated Anodyne CCOC(=O)C(C(=O)C=C(c1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C)c1oc2c(C(C)=O)c(O)c(C)c(O)c2c1C)C(=O)OCC ZINC000238785146 KK Annotated Mild Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)c(O)c2)O4)O[C@H](c2ccc(O)c(O)c2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000238785204 KK Annotated Clean CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(/C)CCC=C(C)C)c(O)c2c([C@H](CC)OO)cc(=O)oc2c1C(=O)[C@H](C)CC ZINC000238785209 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]3C(C(C)C)=C(C=O)C[C@]13C)C2=O ZINC000238785240 KK Annotated Reactive O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23CCNC2=C3c3nccc4c[nH]c(c34)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br ZINC000238785265 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C/C=C(\C)[C@@H]1C[C@@H](O)[C@](C)(CCC=C(C)C)O1)C(=O)c1ccc(O)cc1O ZINC000238785278 KK Annotated Anodyne COc1cc2c(cc1[C@H](C)C1=COC[C@H]3[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@@H]13)[N+]4(C)C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)[N+]2(C)C ZINC000238785325 KK Annotated Mild COc1ccc([C@@H]2Oc3c(c(OC)cc4c3[C@H]3c5cc(OC)c(OC)cc5O[C@@](c5ccc(OC)c(OC)c5)(O4)[C@H]3OC(C)=O)C[C@@H]2OC(C)=O)cc1OC ZINC000238785330 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)C=C[C@@]3(C)O)c(OC)c2)ccc1O ZINC000238785336 KK Annotated Mild CC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)/C=C/CCCCC[C@H]1O[C@]2(CCCCCCCCCCCCCCOC[C@H](CO)NOS(=O)(=O)O)CC[C@@H](O)[C@H]1O2 ZINC000238785421 KK Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000238785484 KK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(O)C2)C(=O)C(C(=O)CC(C)C)=C1O ZINC000238785491 KK Annotated Mild CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2c(c(O)cc3c2CN(CCC[C@H](C(=O)O)N2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(/C)CCC=C(C)C)[C@H](O)C5)C2=O)C3=O)C[C@H]1O ZINC000238785580 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H](CCCN2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(\C)CCC=C(C)C)[C@H](O)C5)C2=O)C(=O)O)C3=O)C[C@H]1O ZINC000238785582 KK Annotated Anodyne CC/C=C/C/C=C\C/C=C\CCCCCCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238785614 KK Annotated Mild CC/C=C\C/C=C/C/C=C\CCCCCCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238785617 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1C=CC[C@@H]3C(C)(C)O[C@]4(CC=C(C)C(=O)O4)[C@]13O2 ZINC000238785621 KK Annotated Anodyne C/C=C1C(=C/c2[nH]c(/C=C3/N=C(/C=C4/NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)OC)c(CCC(=O)OC)c2C)\NC(=O)[C@@H]\1C ZINC000238785640 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@](C)(O)/C=C\C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000238785719 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@](C)(O)/C=C\C/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000238785721 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@](C)(O)/C=C\C/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000238785722 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@](C)(O)/C=C\C/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C/CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000238785724 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000238785749 KK Annotated Mild COc1cc([C@H]2Oc3c(OC)cc(/C=C\c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000238785792 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3cccc(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000238785819 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@H]1C[C@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@@](CC=C(C)C)(C2=O)[C@]1(C)CCC=C(C)C ZINC000238785834 KK Annotated Clean CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@]2(C3=CC(=O)C(C)(C)O3)CC3=C(OC(C)(C)C3=O)[C@H](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)C2)C1 ZINC000238785846 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@H]2C[C@](CCC/C(C)=C\[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)CC3=C2OC(C)(C)C3=O)C1 ZINC000238785848 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@@H]2C[C@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)CC3=C2OC(C)(C)C3=O)C1 ZINC000238785850 KK Annotated Mild COc1cc(/C=C\C(=O)C(C(=O)/C=C\c2ccc(O)c(OC)c2)[C@H]2C=C(C)[C@H]3C[C@@H]2[C@@H](C)C[C@H]3C=C(C)C)ccc1O ZINC000238785908 KK Annotated Mild COc1cc(/C=C\C(=O)[C@H](C(=O)/C=C/c2ccc(O)c(OC)c2)[C@H]2C=C(C)[C@H]3C[C@@H]2[C@@H](C)C[C@H]3C=C(C)C)ccc1O ZINC000238785909 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@H]1CC(C)(C)OC2=CC(=O)[C@]3(CC=C(C)C)C(=O)[C@@]21CC[C@]3(C)CCC=C(C)C ZINC000238785910 KK Annotated Mild COc1cc(/C=C\C(=O)[C@@H](C(=O)/C=C/c2ccc(O)c(OC)c2)[C@H]2C=C(C)[C@H]3C[C@@H]2[C@@H](C)C[C@H]3C=C(C)C)ccc1O ZINC000238785912 KK Annotated Mild O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](/C=C\c2ccc3c(c2)OCO3)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000238785931 KK Annotated Anodyne CC(C)=C/C=C\[C@@]1(C)CCc2c(O)c(C(=O)O[C@@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)c(C)c(CC=C(C)C)c2O1 ZINC000238785945 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c6n(c34)C[C@@H]3C[C@@H](CC)[C@@H](NCC5)[C@@]6(C(=O)OC)C3)C[C@H]1[C@]2(CO)C(=O)OC ZINC000238785946 KK Annotated Anodyne C/C1=C/C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(=O)/C=C\c4ccccc4)C[C@H](C)[C@@H]4OC(C)(C)O[C@@H]1[C@@H]43)C2(C)C ZINC000238785954 KK Annotated Mild CC(=O)O/C(C)=C\Cc1c(O)c(O)cc2oc3c(CC=C(C)C)c4c(c(O)c3c(=O)c12)C=CC(C)(C)O4 ZINC000238785974 KK Annotated Clean C/C(=C/[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)c1ccc(O)cc1 ZINC000238785984 KK Annotated Anodyne CC(C)=C/C=C\[C@@]1(C)CCc2c(O)c(C(=O)O[C@H]3C[C@H]4CC[C@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000238785987 KK Annotated Anodyne O=c1oc2cc(-c3c(-c4ccc(O)c(O)c4)oc4cc(/C=C\c5ccc(O)c(O)c5)oc(=O)c34)oc(=O)c2c2cc(O)c(O)cc12 ZINC000238785996 KK Annotated Clean CC(C)=C[C@H]1C[C@](C)(/C=C\c2[nH]c3ccccc3c2CCN(C)C)n2c1c(CCN(C)C)c1ccccc12 ZINC000238786020 KK Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(C)\C=C\C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@H]4C(=O)C=CC[C@@H]4C)OC=C3[C@@H]12 ZINC000238786032 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccc(CC=C(C)C)cc2c1/C=C1\NC(=O)[C@@]2(C[C@@H](C)C=C[C@H]2/C=C\c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000238786042 KK Annotated Mild O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C\c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000238786077 KK Annotated Anodyne O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000238786079 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C\c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000238786082 KK Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@@H](O)/C=C(/C)[C@@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)C ZINC000238786088 KK Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C\C[C@@H](O)/C=C(/C)[C@@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)C ZINC000238786090 KK Annotated Anodyne CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C\C[C@@H](O)/C=C(\C)[C@@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)C ZINC000238786093 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1cc(C(=O)O)cc(/C=C/[C@@]2(C)C[C@@H](C=C(C)C)c3cc(C(=O)O)cc(C/C=C(\C)CCC=C(C)C)c3O2)c1O ZINC000238786129 KK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(Nc2ccc(O)c(C[C@@]3(C)[C@H](C)CC[C@@]4(C)C(C)=CCC[C@H]34)c2)=CC1=O ZINC000238786142 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c3ccccc3)(C(=O)C3=C1OC(C)(C)CC3)C2=O ZINC000238786160 KK Annotated Mild COc1cc(/C=C/C(=O)CC(=O)/C=C/c2cc(OC)c(O)c([C@@H]3C=C(C)[C@H](O)C[C@H]3[C@H](C)CC(=O)C=C(C)C)c2)ccc1O ZINC000238786170 KK 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)(CO)[C@H](OC(=O)CCc6ccc(O)c(O)c6)CC[C@]45C)CC3=CC[C@@H]12 ZINC000238786194 KK Annotated Clean C=C1CCC[C@@H]2[C@@]3(C)[C@@H](OC(=O)c4ccccc4)C[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000238786225 KK Annotated Mild COc1ccc2cc1Oc1cc3c(cc1O)CCN[C@H]3Cc1ccc(cc1)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000238786248 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)c(O)c2)O4)O[C@H](c2ccc(O)c(O)c2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000238786281 KK Annotated Clean COc1ccc(C(=C2C=CC(=O)C=C2)c2c(-c3ccccc3)ccc(CO)c2C#Cc2ccc(O)cc2)cc1 ZINC000238786319 KK Annotated Mild CC(=O)OC/C(=C\CC[C@@H](CCCC[C@H](CC/C=C(/CC/C=C(\C)C(=O)O)COC(C)=O)COC(C)=O)COC(C)=O)CC/C=C(\C)C(=O)O ZINC000238786327 KK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1C/C=C(\C)[C@H]1CCc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c(O)c(C(=O)CCC)c2O1 ZINC000238786336 KK Annotated Mild C=C(C)CC[C@H](C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)[C@H](C(=O)c3ccc(O)c(O)c3)[C@@H]1O)C2=O)C(=C)C ZINC000238786368 KK Annotated Mild C=C(C)[C@@H]1CC[C@H]([C@]23C[C@H](CC=C(C)C)C(C)(C)[C@@]4(C[C@@H](C(C)(C)O)OC4=C(C(=O)c4ccc(O)c(O)c4)C2=O)C3=O)C1(C)C ZINC000238786429 KK Annotated Mild CCCCCCCCCCCC[C@@H]1CCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O ZINC000238786444 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)CCC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000238786447 KK Annotated Mild CC(=O)OC[C@]12CCC(C)(C)C[C@H]1[C@]1(C)CC[C@@]3(C)[C@@H]4C[C@@H](OC(C)=O)C(=O)[C@H](C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC2 ZINC000238786486 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)[C@H]2CC[C@@](C)(O)C[C@@H]32)C1=O ZINC000238786488 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)CCC=C(C)C)C(O)=C(Cc2c(O)c(C(=O)CCC)c(O)c3c2OC(C)(C)[C@H]2CC[C@@](C)(O)C[C@@H]32)C1=O ZINC000238786490 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5c(O)cc6c7c5[C@H]([C@@H]4c4ccccc4)[C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]7[C@H](c4ccc(O)cc4)O6)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238786496 KK Annotated Anodyne COC1=C(Br)C[C@]2(OC=C1Br)ON=C(C(=O)NCCCOc1c(Br)cc(CCNC(=O)CCCCCCCC/C=C\CCCC(C)C)cc1Br)[C@@H]2O ZINC000238786610 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]4[C@H]2c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000238786617 KK Annotated Anodyne CC[C@H](C)CCCCCCCCCCCC(=O)NC[C@H](O)c1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000238786624 KK Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)C[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](CC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000238786651 KK Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(O)c3c2oc2cc4c(c(O)c23)Oc2c(c(O)cc(O)c2Oc2cc(O)cc(O)c2-c2c(O)cc(O)cc2Oc2c(O)cc(O)cc2Oc2c(O)cc(O)cc2O)O4)c1 ZINC000238786656 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@H]3[C@@H](C)CC(=O)C=C(C)C)c2)ccc1O ZINC000238786665 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@]3(C)C=C[C@@H]([C@@H](C)CC(=O)C=C(C)C)C[C@@H]3O)c(OC)c2)ccc1O ZINC000238786667 KK Annotated Mild COc1ccc2c3c(n(C)c2c1CC1=C(C)CC[C@H]2[C@@H]4Cc5c([nH]c6ccccc56)[C@H](C[C@@H]12)N4C)[C@@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@H](C3)N1C ZINC000238786668 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CCC=C(C)C)c(OC)c2)ccc1O ZINC000238786671 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2(OC)Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000238786755 KK Annotated Mild COc1cc(C/C=C/c2c(CCc3ccccc3)cc(CCc3ccccc3)nc2CCc2ccccc2)ccc1O ZINC000238786759 KK Annotated Anodyne C/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CO ZINC000238786763 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3CC(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000238786824 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1(C)C)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000238786827 KK Annotated Mild CC(C)=C[C@@H]1C[C@@](C)(/C=C/c2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)Oc2cc(/C=C/c3ccc(O)cc3)ccc21 ZINC000238786839 KK Annotated Anodyne COc1cc(OC)c2c3c(c(O)c(-c4c(O)cc5cc(O)c6c(=O)cc(C)oc6c5c4OC)c2c1)C(=O)C=C(C)C3 ZINC000238786871 KK Annotated Mild COc1cc2c(c(O)c1C(=O)/C=C/c1ccccc1)[C@H](C[C@@H](O)CCc1ccc(O)cc1)C[C@@H](c1ccc(O)cc1)O2 ZINC000238786911 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]5C[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000238786976 KK Annotated Anodyne CC(C)CCCCCCCCCCCC(=O)NC[C@H](O)c1cc(Br)c(OCCCNC(=O)C#N)c(Br)c1 ZINC000238787009 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)\C=C/c2ccc(O[C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CC(=O)C=C(C)C)cc2)ccc1O ZINC000238787030 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)\C=C\c2ccc(O[C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CC(=O)C=C(C)C)cc2)ccc1O ZINC000238787031 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)/C=C\c2ccc(O[C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CC(=O)C=C(C)C)cc2)ccc1O ZINC000238787033 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2ccc(O[C@H]3C=C(C)[C@@H](O)C[C@@H]3[C@@H](C)CC(=O)C=C(C)C)cc2)ccc1O ZINC000238787034 KK Annotated Mild COc1cc(/C=C\C(O)=C/C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C=C(C)[C@@H]2C[C@@H]3[C@@H](C)CCC=C(C)C)ccc1O ZINC000238787036 KK Annotated Mild COc1cc(/C=C\C(O)=C\C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C=C(C)[C@@H]2C[C@@H]3[C@@H](C)CCC=C(C)C)ccc1O ZINC000238787037 KK Annotated Mild COc1cc(/C=C/C(O)=C\C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C=C(C)[C@@H]2C[C@@H]3[C@@H](C)CCC=C(C)C)ccc1O ZINC000238787038 KK Annotated Mild COc1cc(O)c(C[C@@H]2c3c(cc(OC)c4c3CCc3cc(O)ccc3-4)O[C@@H]2c2ccc(O)c(OC)c2)c(CCc2cccc(O)c2)c1 ZINC000238787118 KK Annotated Anodyne C[C@@H]1/C=C/[C@@H](C)[C@H](/C=C/C#C/C=C/C(C)(C)[C@H](O)c2cccc(O)c2Br)OC(=O)/C=C\C[C@H](C)C[C@H](OC(N)=O)C1 ZINC000238787184 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)C=C(C[C@H]2C=C(C)[C@@H](CC(=O)OC)C(C)(C)OC2=O)C2=CC[C@@H](c3ccoc3)[C@@]21C ZINC000238787249 KK Annotated Anodyne CC(C)=CCC/C(C)=C\C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000238787263 KK Annotated Mild COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c3oc4c(O)c(OC)c(OC)cc4c(=O)c3c2O)cc1OC ZINC000238787293 KK Annotated Bother CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@](CC=C(C)C)(C2=O)C(=O)[C@]23C(=O)c4ccccc4C(C)(C)[C@H]2CC[C@]13C ZINC000238787311 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C3O[C@H](C(C)(C)O)C[C@@]31C2=O ZINC000238787323 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)=C(C)C1=O ZINC000238787339 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)=C(C)C1=O ZINC000238787341 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)=C(C)C1=O ZINC000238787343 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@]2(C3=CC(=O)C(C)(C)O3)CC[C@H](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)C3=C2C(=O)C(C)(C)O3)C1 ZINC000238787345 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@H]2CC[C@](CCC/C(C)=C\[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238787347 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@H]2CC[C@](CCC/C(C)=C/[C@@H]3CC(C)=CC(=O)O3)(C3=CC(=O)C(C)(C)O3)C3=C2OC(C)(C)C3=O)C1 ZINC000238787349 KK Annotated Mild C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)c2ccccc2)[C@@H]2O[C@H]3CC(=O)OC(C)(C)[C@H](CC(=O)OC)[C@@]3(C)[C@H]12 ZINC000238787364 KK Annotated Mild CCCCCCCCCCCCc1cc(OC(=O)/C=C\C=C/C=C\C=C\C=C\C=C\C=C\C=C\c2ccc(OC)c(C)c2)c(C)cc1OC ZINC000238787374 KK Annotated Mild CCCCCCCCCCCCc1cc(OC(=O)/C=C/C=C\C=C/C=C/C=C/C=C/C=C/C=C/c2ccc(OC)c(C)c2)c(C)cc1OC ZINC000238787376 KK Annotated Mild CCCCCCCCCCCCc1cc(OC(=O)/C=C\C=C\C=C/C=C/C=C/C=C/C=C/C=C/c2ccc(OC)c(C)c2)c(C)cc1OC ZINC000238787378 KK Annotated Mild CCCCCCCCCCCCc1cc(OC(=O)/C=C/C=C/C=C\C=C\C=C\C=C\C=C\C=C\c2ccc(OC)c(C)c2)c(C)cc1OC ZINC000238787380 KK Annotated Mild Oc1ccc([C@H]2c3c(O)cc4c5c3[C@@H]([C@@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@@H]5[C@@H](c3ccc(O)c(O)c3)O4)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000238787400 KK Annotated Clean C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)O[C@H]1OC(=O)/C(=C/C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1O ZINC000238787441 KK Annotated Reactive C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(=C)OC(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000238787443 KK Annotated Mild C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(=O)/C=C\c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000238787462 KK Annotated Mild COc1c2c(c(OCC=C(C)C)c3ccoc13)C=C[C@]1(O2)O[C@@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000238787476 KK Annotated Anodyne C=C1CC[C@H](OC(=O)/C=C\c2ccccc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)/C=C\c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238787498 KK Annotated Mild C=C1CC[C@H](OC(=O)/C=C\c2ccccc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238787500 KK Annotated Mild C=C1CC[C@H](OC(=O)/C=C/c2ccccc2)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000238787502 KK Annotated Mild CC(C)=CCC/C(C)=C\CC[C@@]1(C)Oc2c(c(O)cc3c2CN(CCCC[C@H](C(=O)O)N2Cc4c(cc(O)c5c4O[C@@](C)(CC/C=C(\C)CCC=C(C)C)[C@H](O)C5)C2=O)C3=O)C[C@H]1O ZINC000238787517 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2c(c(O)cc3c2CN([C@H](CCCCN2Cc4c(cc(O)c5c4O[C@](C)(CC/C=C(/C)CCC=C(C)C)[C@H](O)C5)C2=O)C(=O)O)C3=O)C[C@H]1O ZINC000238787519 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC(COC(=O)c2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)=C[C@@H]2[C@]3(OC(C)=O)C(=O)C(C)=C[C@@H]3[C@H]3[C@]2([C@H]1C)[C@@]3(O)C(C)(C)O ZINC000238787637 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)/C=C/c1ccccc1)[C@@H](C)[C@](C)(O)[C@@H]2OC(C)=O ZINC000238787654 KK Annotated Anodyne O=CN1CCCCCCCCCC[C@@]23C[C@@H]4C(=O)N(CCC/C=C/C/C=C\C[C@@H](O)/C=C\2C(=O)[C@@H]4CC1)C3 ZINC000238787659 KK Annotated Mild O=CN1CCCCCCCCCC[C@@]23C[C@@H]4C(=O)N(CCC/C=C\C/C=C/C[C@@H](O)/C=C\2C(=O)[C@@H]4CC1)C3 ZINC000238787661 KK Annotated Mild COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 ZINC000238787663 KK Annotated Reactive CC(C)=CCC/C(C)=C\C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000238787682 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C/C=C(C)\C=C/C=C\C(C)=C\C=C/C(C)=C/C=C1/C(C)=CC(=O)CC1(C)C ZINC000238787768 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C/C=C(C)\C=C/C=C\C(C)=C\C=C/C(C)=C/C=C1\C(C)=CC(=O)CC1(C)C ZINC000238787770 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C/C=C(C)\C=C/C=C\C(C)=C\C=C/C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C ZINC000238787771 KK Annotated Mild CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)\C=C/C=C(C)\C=C/C=C\C(C)=C\C=C/C(C)=C\C=C1/C(C)=CC(=O)CC1(C)C ZINC000238787773 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000238787789 KK Annotated Mild O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c([C@H](/C=C\c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238787790 KK Annotated Anodyne O=C(O)CCC/C=C\[C@H](c1ccccc1)c1c(O)c([C@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238787791 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c([C@H](/C=C\c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000238787792 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000238787794 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@H](O)C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000238787795 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@H](O)C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000238787796 KK Annotated Anodyne CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@](C)(C/C=C\C(C)(C)OO)[C@H](O)CC1 ZINC000238787838 KK Annotated Reactive C=C(C)[C@@H]1C[C@]23C(=O)[C@]4(C/C=C(\C)CCC=C(C)C)C[C@H](C[C@@H]2C1(C)C)C(C)(C)[C@@](C(=O)c1ccccc1)(C4=O)C3=O ZINC000238787840 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@H]1C[C@]2(C/C=C(\C)CCC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000238787859 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@H]1C[C@]2(C/C=C(/C)CCC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000238787862 KK Annotated Mild CC(C)C1=C2O[C@@]3(C4=C2C(=C(O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C4)C(C(C)C)=C(O)C(=O)c1c3cc(O)c2c1[C@@H](O)CCC2(C)C ZINC000238787871 KK Annotated Mild COC1=CC(=O)C(OC(C)=O)=C(CCCCCCC/C=C\CCCCCCCC2=C(O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000238787894 KK Annotated Mild CC(C)=C/C=C\[C@@]1(C)CCc2c(O)c(C(=O)O[C@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)c(C)c(CC=C(C)C)c2O1 ZINC000238787927 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000238787928 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000238787929 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000238787931 KK Annotated Anodyne O=C1C=CC(=C(c2ccc(O)cc2)c2c(-c3ccccc3)ccc([C@@H](O)CO)c2C#Cc2ccc(O)cc2)C=C1 ZINC000238787970 KK Annotated Mild CCCCCCCCCCCC/C=C\[C@]12C(=O)O[C@]3(C)O[C@]4(C)OC(=O)C(=C[C@H]1CCCCCCCCCCCC)[C@@H]4[C@@H]32 ZINC000238787980 KK Annotated Mild CC[C@H](C)C[C@@H](C)/C=C(C)\C=C\C(=O)C[C@H]1C2=COC([C@H]3C(=O)C[C@H](O)C[C@@H]3C)=CC2=CC(=O)[C@]1(C)O ZINC000238787996 KK Annotated Mild COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c(O)c1[C@H](C=C(C)C)c1cc(C(=O)O)cc(CC=C(C)C)c1O ZINC000238787997 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(O)C[C@]3(C)CC[C@H]4C(C)(C)[C@@H](OC(=O)CCc5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@@H]12 ZINC000238788087 KK Annotated Clean CC(C)=CC[C@]12O[C@]3(O)[C@@](C(=O)CC(C)C)(C1=O)C(C)(C)[C@H](C/C=C(\C)C=O)C[C@]3(CC=C(C)C)C2=O ZINC000238788093 KK Annotated Reactive CC(C)=CC[C@]12O[C@]3(O)[C@@](C(=O)CC(C)C)(C1=O)C(C)(C)[C@H](C/C=C(/C)C=O)C[C@]3(CC=C(C)C)C2=O ZINC000238788094 KK Annotated Reactive C=C1CC[C@@H](C(C)C)[C@@H]2/C=C(/C=O)CC[C@@H]3CC(=O)C(C)=C(C[C@@H]4C(=C)CC[C@@H]5[C@@](C)(C(=O)O)CCC[C@]54C)[C@]3(C(=O)O)CC[C@@H]12 ZINC000238788105 KK Annotated Reactive CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(COC(=O)c6ccc(O)cc6)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12 ZINC000238788108 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c(Cc3c(O)c4c(c(C(=O)CCC)c3O)OC(C)(C)C=C4)c(O)c(C(=O)CCC)c2O)C1=O ZINC000238788132 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)CCC=C(C)C)C(O)=C(Cc2c(O)c(Cc3c(O)c4c(c(C(=O)CCC)c3O)OC(C)(C)C=C4)c(O)c(C(=O)CCC)c2O)C1=O ZINC000238788134 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2O)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238788178 KK Annotated Anodyne CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](c4ccc(O)c5c4N=C4CC[C@@]6(CC)CCCN7CC[C@]45[C@H]76)C1)[C@@H]32 ZINC000238788212 KK Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](NC(=O)[C@@H]3C[C@@H](O)C[C@H](C(=O)N[C@H]4[C@H](C(C)C)CC[C@@]5(C)CCCC(=C)[C@H]45)N3CC(=O)NCCc3ccccc3)[C@@H]12 ZINC000238788218 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@H]1Cc2c(c(O)cc(C)c2-c2c(C)cc(O)c3c2CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)O[C@@H]1C ZINC000238788266 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@H]1Cc2c(c(O)cc(C)c2-c2c(C)cc(O)c3c2CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)O[C@@H]1C ZINC000238788268 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@H]1Cc2c(c(O)cc(C)c2-c2c(C)cc(O)c3c2CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)O[C@@H]1C ZINC000238788269 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@H]1Cc2c(c(O)cc(C)c2-c2c(C)cc(O)c3c2CC[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)O[C@@H]1C ZINC000238788270 KK Annotated Anodyne COc1cc2c(cc1Oc1c(O)c(OC)c(OC)c3c1ccc1cc(O)ccc13)CCc1cc(O)cc(OC)c1-2 ZINC000238788304 KK Annotated Bother CCCCCCCCCCCCCCCCC[C@H](CC(=O)O[C@H](COC(C)=O)COC(=O)CC(=O)OC)OC(C)=O ZINC000238788315 KK Annotated Mild CCCCCCCCCCC[C@@H]1CCCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](OC(C)=O)[C@@H]2O ZINC000238788316 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1CCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](O)[C@@H]2O ZINC000238788318 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)C/C=C\C(C)(C)O)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000238788319 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)C/C=C\C(C)(C)O)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000238788321 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)C/C=C/C(C)(C)O)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000238788322 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)C/C=C/C(C)(C)O)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000238788324 KK Annotated Mild Oc1ccc(C[C@@H]2[C@H]3OC[C@H]4[C@@H](CO[C@H](O3)[C@@H]2Cc2ccc3c(c2)OCO3)[C@H](c2ccc3c(c2)OCO3)[C@@H]4c2ccc3c(c2)OCO3)cc1O ZINC000238788328 KK Annotated Clean Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)c(O)c2)O4)O[C@@H](c2ccc(O)c(O)c2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000238788329 KK Annotated Clean CC[C@H](C)CCCCCCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1 ZINC000238788338 KK Annotated Anodyne C=C1[C@H](OC(=O)c2cccnc2)C[C@H]2[C@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](CC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000238788369 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O[C@H]3C[C@H]([C@@H](C)CCC=C(C)C)[C@@H](O)C=C3C)c(OC)c2)ccc1O ZINC000238788389 KK Annotated Mild C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC/C(=C(\C)C(=O)O)[C@@H](CCC(=O)O)[C@]3(C)CC[C@]12C)C(=O)O ZINC000238788409 KK Annotated Anodyne C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC/C(=C(/C)C(=O)O)[C@@H](CCC(=O)O)[C@]3(C)CC[C@]12C)C(=O)O ZINC000238788410 KK Annotated Anodyne C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC/C(=C(/C)C(=O)O)[C@@H](CCC(=O)O)[C@]3(C)CC[C@]12C)C(=O)O ZINC000238788412 KK Annotated Anodyne CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](c4cc5c(cc4O)N4CCC[C@]6(CC)CCCN7CC[C@@]5(OC)[C@@]746)C1)[C@@H]32 ZINC000238788417 KK Annotated Clean O=Cc1ccc(-c2ccc(O)cc2)c(C(=C2C=CC(=O)C=C2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1 ZINC000238788446 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1/CC(=O)[C@@]2(C[C@@H]3O[C@@H](CCCCC)[C@@H](OC)c4c(O)cc(CC=C(C)C)c(c43)O2)NC1=O ZINC000238788453 KK Annotated Mild COc1cc(O)c(C(=O)[C@H](OC(C)=O)[C@H](O)c2ccccc2)c(Oc2cc3c(cc2C(C)C)C(=O)C[C@H]2C(C)(C)CCC[C@]32C)c1 ZINC000238788522 KK Annotated Anodyne O[C@]12C=C([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000238788578 KK Annotated Anodyne O[C@]12C=C([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000238788579 KK Annotated Anodyne Oc1ccc([C@@H](O)[C@H](/C(=C\c2ccc3c(c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)c2cc(O)cc(O)c2)c2cc(O)cc(O)c2)cc1 ZINC000238788580 KK Annotated Anodyne O[C@]12C=C([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31CC/C=C/CCCCN[C@@H]21 ZINC000238788581 KK Annotated Anodyne COc1cc2c(c(O)c1C(=O)/C=C/c1ccc(O)cc1)[C@@H](C[C@@H](O)CCc1ccccc1)C[C@H](c1ccc(O)cc1)O2 ZINC000238788618 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2(OC)Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000238788649 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(\C)CCC[C@]2(C3=CC(=O)C(C)(C)O3)C[C@@H](C/C(C)=C\CC/C(C)=C\C(=O)O)C=C(C)[C@]23C=CC(C)(C)O3)C1 ZINC000238788680 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@]2(C3=CC(=O)C(C)(C)O3)C[C@@H](C/C(C)=C\CC/C(C)=C\C(=O)O)C=C(C)[C@]23C=CC(C)(C)O3)C1 ZINC000238788681 KK Annotated Mild CC1=CC(=O)O[C@H](/C=C(/C)CCC[C@]2(C3=CC(=O)C(C)(C)O3)C[C@@H](C/C(C)=C/CC/C(C)=C\C(=O)O)C=C(C)[C@]23C=CC(C)(C)O3)C1 ZINC000238788683 KK Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1[C@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccc(O)c([C@@H]3C[C@@]4(CC)CCCN5CCc6c(n3c3ccccc63)[C@@H]54)c12 ZINC000238788699 KK Annotated Clean C[C@H](CC[C@H]1OC(C)(C)OC1(C)C)[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@]12C)C[C@@H]1CCC(=O)C(C)(C)[C@@H]1CC[C@H]43 ZINC000238788703 KK Annotated Anodyne CC1(C)[C@H](OC(=O)c2ccc(O)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000238788714 KK Annotated Anodyne COc1cc(/C=C\C(=O)/C=C(O)\C=C/c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@]34OC4(C)C)c2)ccc1O ZINC000238788715 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)\C=C\c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@]34OC4(C)C)c2)ccc1O ZINC000238788716 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)/C=C\c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@]34OC4(C)C)c2)ccc1O ZINC000238788718 KK Annotated Mild COc1cc(/C=C\C(=O)/C=C(O)/C=C/c2cc(OC)c(O)c([C@H]3C=C(C)CC[C@@]34OC4(C)C)c2)ccc1O ZINC000238788720 KK Annotated Mild COc1cc(/C=C\C(O)=C/C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CC(=O)C=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000238788722 KK Annotated Mild COc1cc(/C=C\C(O)=C\C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CC(=O)C=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000238788723 KK Annotated Mild CC(C)=C[C@@H]1C[C@@](C)(/C=C/c2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)Oc2cc(/C=C/c3ccc(O)c(O)c3)ccc21 ZINC000238788724 KK Annotated Clean COc1cc(/C=C/C(O)=C\C(=O)[C@@H]2[C@@H](c3ccc(O)c(OC)c3)[C@H]3C[C@H]([C@@H](C)CC(=O)C=C(C)C)[C@@H]2C=C3C)ccc1O ZINC000238788725 KK Annotated Mild C/C=C/CC/C(I)=C\CC#CC/C=C\C/C(I)=C\CCCC(=O)O ZINC000238788766 KK Annotated Mild CC1(C)[C@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)/C=C/c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000238788790 KK Annotated Anodyne C=C1[C@@H](c2ccc(O)cc2)O[C@@H](c2ccc(O)cc2)[C@@]12CCC1=C(C2)[C@H](c2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1 ZINC000238788816 KK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000238788908 KK Annotated Mild Cc1cc2c(cc1O)C1=C(C3=C4C(=CC(=O)c5cc(O)c(C)cc54)C(C)(C)C3=O)C(=O)O[C@H]1C(C)(C)CC2 ZINC000238788914 KK Annotated Mild C=C1C(=O)O[C@H](/C=C(\C)CC/C=C(/C=O)C/C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(C)=O)[C@H]1CCC(C)=O ZINC000238788927 KK Annotated Reactive CC[C@@H](C)C(=O)O[C@H]1[C@H](OC(C)=O)C=C(C[C@H]2C=C(C)[C@@H](CC(=O)OC)C(C)(C)OC2=O)C2=CC[C@@H](c3ccoc3)[C@@]21C ZINC000238788952 KK Annotated Anodyne COc1cc(/C=C\C2=C(C(=O)CCc3ccc(O)c(OC)c3)C(C)(C)C[C@@]3(C[C@H](C)[C@H]4CCC(C)=C[C@H]4O3)O2)ccc1O ZINC000238788966 KK Annotated Mild CC[C@H](C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C3=O ZINC000238789018 KK Annotated Mild CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)/C=C\C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000238789020 KK Annotated Mild CC1=C[C@]2(O)[C@@H](CC[C@H]3C(C)(C)C(=O)CC[C@@]32C)[C@@](C)(CCC(=O)[C@H](C)CC/C=C(/C)C(=O)O)C1=O ZINC000238789022 KK Annotated Mild C/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(Oc3c(O)c(C)c(C)c4c3CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(CO)CO)O4)cc(C)c2O1)CCC=C(CO)CO ZINC000238789026 KK Annotated Anodyne C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(COC(=O)c2ccccc2)CC[C@@]2(C)[C@@H]3CC(C)(C)C(=O)C[C@]3(C)CC[C@]12C ZINC000238789040 KK Annotated Anodyne COC1=C(CC=C(C)C)C(=O)C[C@@]2(/C=C/c3ccccc3)[C@@H]1[C@@H](c1ccccc1)[C@@H]2c1cc(O)cc(OC)c1 ZINC000238789083 KK Annotated Mild COC1=C(N)C(=O)C(C)=C(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)CC=C(C)C)C1=O ZINC000238789086 KK Annotated Mild COC1=C(N)C(=O)C(C)=C(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)CC=C(C)C)C1=O ZINC000238789088 KK Annotated Mild COC1=C(N)C(=O)C(C)=C(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)C/C=C(\C)CC=C(C)C)C1=O ZINC000238789090 KK Annotated Mild CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C\C=C/C=C\C=C/C=C\C=C/C=C\c1ccc(O)cc1 ZINC000238789091 KK Annotated Bother CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/c1ccc(O)cc1 ZINC000238789093 KK Annotated Bother CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C\C=C\C=C/C=C\C=C/C=C\C=C/c1ccc(O)cc1 ZINC000238789095 KK Annotated Bother CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C/C=C\C=C/C=C\C=C/C=C\c1ccc(O)cc1 ZINC000238789096 KK Annotated Bother COc1cc(O)c([C@H](CCc2ccc(O)cc2)c2ccc(O)cc2OC)cc1CCCc1ccc(O)cc1 ZINC000238789107 KK Annotated Anodyne COc1cc(OC)c([C@H](c2ccccc2)c2c(O)c(OC)c3oc4c(OC)c(OC)c(OC)cc4c(=O)c3c2O)cc1OC ZINC000238789125 KK Annotated Bother C=C1C2=CC[C@@H](c3ccoc3)[C@]2(C)[C@@H](OC(=O)/C(C)=C/C)[C@@H]2O[C@@H](CC(=O)OC)[C@@](C)([C@H]3CC(=O)OC3(C)C)[C@H]12 ZINC000238789187 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H](OC(C)=O)C=C(/C=C2\C=C(C)[C@@H](CC(=O)OC)C(C)(C)OC2=O)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000238789189 KK Annotated Anodyne COc1c(O)c(C)c2c(c1OC)O[C@](C)(CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C=C2 ZINC000238789201 KK Annotated Anodyne COc1c(O)c(C)c2c(c1OC)O[C@](C)(CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C=C2 ZINC000238789203 KK Annotated Anodyne COc1c(O)c(C)c2c(c1OC)O[C@](C)(CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C=C2 ZINC000238789204 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)c4c(c2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000238789225 KK Annotated Anodyne CC/C=C/C/C=C\C/C=C\CCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238789248 KK Annotated Mild CC/C=C\C/C=C/C/C=C\CCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000238789249 KK Annotated Mild COc1c2occc2c(OC[C@H]2O[C@@]3(C=Cc4c(cc5occc5c4OCC=C(C)C)O3)OC2(C)C)c2ccc(=O)oc12 ZINC000238789275 KK Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)OC(C)(C)[C@H]4C)C(=O)C(/N=c1/c(=O)c3c(O)cc(C)c4c5c(c(O)c(c1=O)c43)C(C)(C)[C@@H](C)O5)=C2O ZINC000238789319 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)O[C@](C)([C@H](/C=C3/OC(=O)C=C3C)OC(C)=O)CC[C@@H]2[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000238789343 KK Annotated Anodyne CCC/C(=C(C(=O)O[C@@H]1CCN2Cc3ccccc3N=C12)\C(C(=O)O[C@@H]1CCN2Cc3ccccc3N=C12)=C(\CCC)c1ccccc1)c1ccccc1 ZINC000238789347 KK Annotated Anodyne C=C1CC[C@@H](OC(=O)/C=C/c2ccccc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@]2(O)C[C@@H](C)[C@@H](OC(=O)c3ccccc3)[C@H]2[C@@H]1OC(C)=O ZINC000238789351 KK Annotated Mild CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C\c1ccccc1)C2(C)C ZINC000238789356 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@]12C(=O)C(C)=C[C@@H]1[C@H]1[C@@]3([C@@H]2C=C(COC(=O)c2ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc2)C[C@H](OC(C)=O)[C@@H]3C)[C@@]1(O)C(C)(C)O ZINC000238789365 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/C=C(C)C)[C@@]3(C)CC[C@H]2[C@@]1(C)C(=O)O ZINC000238789384 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(C)\C=C\C=C(C)C)[C@@]3(C)CC[C@H]2[C@@]1(C)C(=O)O ZINC000238789385 KK Annotated Mild CCCCC/C=C\C(C)=C/[C@@H]1C[C@H](C)C/C=C\CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238789417 KK Annotated Anodyne CCCCC/C=C/C(C)=C\[C@@H]1C[C@H](C)C/C=C\CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238789418 KK Annotated Anodyne CCCCC/C=C\C(C)=C\[C@@H]1C[C@H](C)C/C=C\CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238789419 KK Annotated Anodyne CCCCC/C=C/C(C)=C/[C@@H]1C[C@H](C)C/C=C\CC[C@@H](O)[C@H](OC(N)=O)CC[C@@H](C)C[C@H](OC(N)=O)[C@H](C)C(=O)O1 ZINC000238789420 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)c1O ZINC000238789421 KK Annotated Mild CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)cc1O ZINC000238789449 KK Annotated Mild CC(C)=C/C=C\[C@@]1(C)CCc2c(O)c(C(=O)O[C@@H]3C[C@@H]4CC[C@@]3(C)C4(C)C)c(C)c(CC=C(C)C)c2O1 ZINC000238789480 KK Annotated Anodyne C=C(CO)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000238789559 KK Annotated Mild CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000238789579 KK Annotated Anodyne C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1C/C=C(\C)[C@@H]1CCc2c(O)c(C(=O)CCC)c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(C)=O)C3=O)c2O1 ZINC000238789620 KK Annotated Mild CC(C)=CCC/C(C)=C\COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)cc2c1OCO2 ZINC000238789654 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc([C@@H]2OC[C@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@H]32)cc2c1OCO2 ZINC000238789655 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)c7c(C(=O)C(=O)O)ccc(O)c7C[C@H]6[C@]5(C)CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000238789689 KK Annotated Anodyne CCCCCCCCCCCC[C@@H]1CCCCCCCCC(=O)OC[C@H]2O[C@@H](O1)[C@H](O)[C@@H](OC(C)=O)[C@@H]2O ZINC000238789693 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)O[C@](C)(CCC=C(C)C)C=C3)C1=O ZINC000238789694 KK Annotated Mild CCCC(=O)C1=C(O)[C@](C)(C/C=C(/C)CCC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)O[C@](C)(CCC=C(C)C)C=C3)C1=O ZINC000238789695 KK Annotated Mild c1cc2c(cc1C[C@@H]1[C@H]3OC[C@H]4[C@@H](CO[C@H](O3)[C@@H]1Cc1ccc3c(c1)OCO3)[C@H](c1ccc3c(c1)OCO3)[C@@H]4c1ccc3c(c1)OCO3)OCO2 ZINC000238789696 KK Annotated Anodyne Oc1ccc(/C=C\c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc4c(c2)[C@@H](c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O5)[C@H](c2ccc(O)cc2)O4)O3)cc1 ZINC000238789772 KK Annotated Anodyne C/C=C(/C)C(=O)Oc1ccc([C@H]2OC[C@@H]3[C@@H](c4ccc(OC(=O)/C(C)=C\C)c(OC)c4)OC[C@H]23)cc1OC ZINC000238789791 KK Annotated Anodyne COc1cc(/C=C/C(O)=C\C(=O)/C=C/c2ccc(O)cc2)ccc1O[C@H]1C=C(C)[C@@H](O)C[C@@H]1[C@@H](C)CC(=O)C=C(C)C ZINC000238789792 KK Annotated Mild CC1(C)OC(=O)C=CC2=C1CCC1=C(CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]5C[C@H]4OC(=O)[C@]5(C)O)CC[C@@]13C)[C@@H]2OO ZINC000238789794 KK Annotated Reactive COc1ccc(/C=C\C(=O)c2c(O)cc(OC)c3c2O[C@]24C(=O)C(=O)[C@@H]5[C@@H](C5(C)C)[C@@]2(C)[C@H](C)CC[C@H]34)cc1 ZINC000238789803 KK Annotated Mild CC(C)c1cc2c(c3c1O[C@@H]1C4=C(C[C@@]56CCCC(C)(C)[C@@H]5C[C@@H]4O6)C(=O)C(=O)[C@]1(C(C)C)O3)C[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2O3 ZINC000238789804 KK Annotated Mild C=CCc1ccc(O)c(-c2ccc([C@@H]3O[C@H](c4ccc(-c5cc(CC=C)ccc5O)c(O)c4)[C@H](C)O[C@@H]3C)cc2O)c1 ZINC000238789807 KK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCC#C/C=C\CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238789825 KK Annotated Mild C#C[C@@H](O)/C=C\CCCCCCCC#C/C=C/CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000238789826 KK Annotated Mild COc1cc2c(c(OC)c1)-c1cc(-c3cc4c(cc3O)CCc3cc(OC)cc(OC)c3-4)c(O)cc1CC2 ZINC000238789844 KK Annotated Anodyne COc1ccc(C(=O)O)cc1Oc1ccc(C[C@H]2c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5=O)OCO4)CCN2C)cc1 ZINC000238789867 KK Annotated Anodyne CC[C@]12C=C([C@@H]3C=C[C@@]4(CC)CC(C(=O)OC)=C5Nc6ccccc6[C@@]56CCN3[C@@H]46)C(=O)N3CC[C@]4(C(=C(C(=O)OC)C1)Nc1ccccc14)[C@@H]32 ZINC000238789886 KK 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=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000024630321 KK Annotated Anodyne Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CC(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000024698834 KK Annotated Anodyne CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1OCC ZINC000024756103 KK Annotated Anodyne O=P(O)(O)c1cccc(-c2ccc(C[C@@](Cc3ccc(C(F)(F)P(=O)(O)O)cc3)(c3ccccc3)n3nnc4ccccc43)cc2)c1 ZINC000024788060 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000024791085 KK Annotated Anodyne C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000024798806 KK Annotated Anodyne in-vitro c1cc(C(c2ccc(OC[C@@H]3CO3)cc2)[C@H](c2ccc(OC[C@@H]3CO3)cc2)c2ccc(OC[C@H]3CO3)cc2)ccc1OC[C@@H]1CO1 ZINC000245204783 KK Annotated Anodyne c1cc([C@@H](c2ccc(OC[C@H]3CO3)cc2)[C@H](c2ccc(OC[C@@H]3CO3)cc2)c2ccc(OC[C@H]3CO3)cc2)ccc1OC[C@@H]1CO1 ZINC000245204784 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000002500007 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]4CCCC[C@H]43)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000002500010 KK Annotated Anodyne CN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000002500047 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000002500278 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000002500282 KK Annotated Anodyne O=C(NCCCc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000002500290 KK Annotated Anodyne Cc1ccccc1C(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c1ccccc1Cl ZINC000002891742 KK Annotated Anodyne in-vitro O=C(c1ccc(NC(=O)c2cc(Br)cc(Br)c2O)c(Cl)c1)c1cccs1 ZINC000002907665 KK Annotated Anodyne O=C(CSc1nc2ccsc2c(=O)n1CC1CCC(C(=O)O)CC1)c1ccc(Br)cc1 ZINC000002932251 KK Annotated Anodyne Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934353 KK Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934356 KK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Br)cc2)N1 ZINC000002934358 KK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Br)cc2)N1 ZINC000002934360 KK Annotated Clean COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 ZINC000002935888 KK Annotated Clean COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@H](c2cc(Cl)ccc2O)N1 ZINC000002935890 KK Annotated Clean COc1ccc(Br)cc1[C@@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000002935891 KK Annotated Clean COc1ccc(Br)cc1[C@H]1NC(c2ccc3c(c2)OCO3)=C[C@@H](c2cc(Cl)ccc2O)N1 ZINC000002935893 KK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935896 KK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935898 KK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935900 KK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935902 KK Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935903 KK Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935905 KK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000002935906 KK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(F)c(Br)c2)N1 ZINC000002935908 KK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cc(Br)ccc2F)N1 ZINC000002936334 KK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2cc(Br)ccc2F)N1 ZINC000002936336 KK Annotated Clean Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cc(Br)ccc2F)N1 ZINC000002936339 KK Annotated Clean Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2cc(Br)ccc2F)N1 ZINC000002936341 KK Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 ZINC000002936811 KK Annotated Clean Oc1ccc(Br)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 ZINC000002936813 KK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2c(F)cccc2Cl)N1 ZINC000002936815 KK Annotated Clean Oc1ccc(Br)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2c(F)cccc2Cl)N1 ZINC000002936817 KK Annotated Clean CC[C@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002964321 KK Annotated Anodyne CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002964323 KK Annotated Anodyne CC[C@H](SC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002964325 KK Annotated Anodyne CC[C@@H](SC1=Nc2ccccc2C2=N[C@H](Cc3c[nH]c4ccccc34)C(=O)N12)C(=O)Nc1ccc2c(c1)OCO2 ZINC000002964327 KK Annotated Anodyne O=C(c1ccc2c(c1)[nH]c(=S)n1c3ccccc3nc21)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000002970384 KK Annotated Bother COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)C(=O)O)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000250900370 KK Annotated Anodyne C/C1=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC1=O)C3=O ZINC000253390410 KK Annotated Mild O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H]1C(=O)N(CCC1=CCCCC1)[C@H]3C(=O)NC1CCCCC1 ZINC000253483175 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1[C@@H]2C(=O)N(CCC3=CCCCC3)[C@@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 ZINC000253483176 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1[C@@H]2C(=O)N(CCC3=CCCCC3)[C@H](C(=O)NC3CCCCC3)[C@@]23C=C[C@H]1O3 ZINC000253483177 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1[C@H]2C=C[C@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)[C@H]13 ZINC000253483178 KK Annotated Anodyne COc1ccc(C2(CNC[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@H](C)C[C@]6(C)[C@@H]5CC[C@]43C)CCCC2)cc1OC ZINC000253612761 KK Annotated Anodyne COc1ccc(C2(CNC[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@@H](C)C[C@]6(C)[C@@H]5CC[C@@]43C)CCCC2)cc1OC ZINC000253612762 KK Annotated Anodyne COc1ccc(C2(CNC[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@@H](C)C[C@]6(C)[C@@H]5CC[C@]43C)CCCC2)cc1OC ZINC000253612763 KK Annotated Anodyne COc1ccc(C2(CNC[C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6[C@@H]7OCCO[C@H]7[C@H](C)C[C@]6(C)[C@@H]5CC[C@@]43C)CCCC2)cc1OC ZINC000253612764 KK Annotated Anodyne C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C ZINC000253614639 KK Annotated Reactive C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C ZINC000253614640 KK Annotated Reactive C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C ZINC000253614641 KK Annotated Reactive C[Si](C)(C)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C ZINC000253614642 KK Annotated Reactive C=C(C[n+]1ccc(N(C)C)cc1)[C@@H]1CC[C@]2(COC(=O)[C@H](C)[n+]3ccc(N(C)C)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@H](C)[n+]6ccc(N(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253632364 KK Annotated Mild C=C(C[n+]1ccc(N(C)C)cc1)[C@@H]1CC[C@]2(COC(=O)[C@@H](C)[n+]3ccc(N(C)C)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@@H](C)[n+]6ccc(N(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253632365 KK Annotated Mild C=C(C[n+]1ccc(N(C)C)cc1)[C@@H]1CC[C@]2(COC(=O)[C@H](C)[n+]3ccc(N(C)C)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@@H](C)[n+]6ccc(N(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253632366 KK Annotated Mild C=C(C[n+]1ccc(N(C)C)cc1)[C@@H]1CC[C@]2(COC(=O)[C@@H](C)[n+]3ccc(N(C)C)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@H](C)[n+]6ccc(N(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000253632367 KK Annotated Mild COc1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000253632412 KK Annotated Anodyne C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@H]1[C@@H]2C(=O)OC ZINC000253632419 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000253632420 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@H]1[C@@H]2C(=O)OC ZINC000253632421 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000253632422 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000253632430 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(F)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(F)cc1 ZINC000253632431 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@H](CN1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000253632441 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@H](CN1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000253632442 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCCOC(=O)N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000253632626 KK Annotated Anodyne CCc1c(C)nc(O)c(NC(=O)CCCCCCCCCNC(=O)CCOC[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)C[C@H]2N=[N+]=[N-])c1Cc1cc(C)cc(C)c1 ZINC000253632644 KK Annotated Clean CO[C@H]1CN(CC2=CCCCC2)C[C@H](OC[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)O[C@@H]1C ZINC000253632702 KK Annotated Mild CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](O)C[C@@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000253632730 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1C3=O ZINC000253632796 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1C3=O ZINC000253633038 KK Annotated Mild C/C(=C\C[C@]12O[C@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000253633050 KK Annotated Clean C/C(=C\C[C@]12O[C@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000253633055 KK Annotated Clean C/C(=C\C[C@]12O[C@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000253633058 KK Annotated Clean CCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OCCCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253633188 KK Annotated Mild C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000253633295 KK Annotated Reactive C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000253633297 KK Annotated Reactive C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000253633300 KK Annotated Reactive CCCC[C@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@H]2[C@H]2COC(C)(C)O2)[C@H]1/C(C)=C/c1ccccc1 ZINC000253633454 KK Annotated Anodyne CCCCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OCCCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253633623 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@H]1C(C)(C)C ZINC000253633682 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@H]1C(C)(C)C ZINC000253633683 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@H]1C(C)(C)C ZINC000253633684 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@H]1C(C)(C)C ZINC000253633685 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccc(F)c(F)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253633752 KK Annotated Bother C=CC[N@@+]1(CCC(=O)OCCCCCCCCC[N@@+]2(CC=C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)CCc2c(cc(OC)c(OC)c2OC)C1 ZINC000253633854 KK Annotated Mild C=CC[N@@+]1(CCC(=O)OCCCCCCCCC[N@+]2(CC=C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)CCc2c(cc(OC)c(OC)c2OC)C1 ZINC000253633857 KK Annotated Mild C=CC[N@+]1(CCC(=O)OCCCCCCCCC[N@+]2(CC=C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)CCc2c(cc(OC)c(OC)c2OC)C1 ZINC000253633860 KK Annotated Mild C=CC[N@+]1(CCCCCCCCCOC(=O)CC[N@@+]2(CC=C)CCc3c(cc(OC)c(OC)c3OC)C2)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000253633864 KK Annotated Mild CCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253634000 KK Annotated Bother CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000253634019 KK Annotated Anodyne CN1C(=O)[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000253634020 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253634249 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253634250 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccc(F)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000253634341 KK Annotated Clean C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@]12Cc3c(OC(C)=O)ccc(OC(C)=O)c3C[C@H]1O2 ZINC000253634633 KK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@]12Cc3c(OC(C)=O)ccc(OC(C)=O)c3C[C@H]1O2 ZINC000253634635 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@H]1c1ccccc1 ZINC000253634708 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@H]1c1ccccc1 ZINC000253634710 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@H]1c1ccccc1 ZINC000253634711 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@H]1c1ccccc1 ZINC000253634712 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(CCC[C@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253634818 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(CCC[C@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253634819 KK Annotated Mild COc1cc([C@H]2[C@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000253634885 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253635013 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253635019 KK Annotated Anodyne Fc1cccc([C@H]2C[C@@H](c3cccc(F)c3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2cccc(F)c2)N[C@H]3c2cccc(F)c2)c1 ZINC000253635025 KK Annotated Mild Fc1cccc([C@H]2C[C@@H](c3cccc(F)c3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2cccc(F)c2)N[C@@H]3c2cccc(F)c2)c1 ZINC000253635030 KK Annotated Mild C=C(C)[C@H]1[C@@H](O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000253635576 KK Annotated Mild C=C(C)[C@H]1[C@@H](O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000253635577 KK Annotated Mild CO[C@@H]1C=CC[C@@H](C)C[C@@H](OC)C=CC[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)CN(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)OC(=O)C=CC=CC[C@@H](OC(=O)CN(C)C)[C@@H](C)[C@H](O)[C@H](C)CC1 ZINC000253635777 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253635781 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253635784 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@@H](O)[C@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000253635814 KK Annotated Mild O[C@H]([C@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@H](O)[C@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000253635817 KK Annotated Mild O[C@H]([C@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@@H](O)[C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000253635821 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253635847 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253635851 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253635856 KK Annotated Mild CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253635860 KK Annotated Mild CCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253635905 KK Annotated Mild CC(C)[C@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)CC[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCc1ccccc1 ZINC000253635934 KK Annotated Anodyne CC(C)[C@@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)CC[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCc1ccccc1 ZINC000253635940 KK Annotated Anodyne CCCCCC(=O)O[C@@H]1[C@H](OC[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)O[C@H](C)[C@@H](OC)[C@H]1OC(=O)CCCCC ZINC000253636016 KK Annotated Mild O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@@H](O)[C@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000253636034 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@H](O)[C@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000253636038 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000253636041 KK Annotated Anodyne CCCCCCCCOC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253636099 KK Annotated Mild CCCCCCCCOC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253636102 KK Annotated Mild COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000253636147 KK Annotated Bother CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O[SiH2]C(C)(C)C)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000253636378 KK Annotated Reactive CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)[C@](O)(CC)[C@@]1(C)O ZINC000253636492 KK Annotated Bother CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)[C@@](O)(CC)[C@@]1(C)O ZINC000253636496 KK Annotated Bother CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)[C@@](O)(CC)[C@]1(C)O ZINC000253636500 KK Annotated Bother CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)[C@](O)(CC)[C@]1(C)O ZINC000253636504 KK Annotated Bother C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@H]54)[C@@H]69 ZINC000253636540 KK Annotated Mild CC[N@@+](C)(CCCCCCOCCCCCCCCOCCCCCC[N@+](C)(CC)Cc1ccccc1OC)Cc1ccccc1OC ZINC000253636731 KK Annotated Bother CC[N@+](C)(CCCCCCOCCCCCCCCOCCCCCC[N@@+](C)(CC)Cc1ccccc1OC)Cc1ccccc1OC ZINC000253636733 KK Annotated Bother CC[N@@+](C)(CCCCCCOCCCCCCCCOCCCCCC[N@@+](C)(CC)Cc1ccccc1OC)Cc1ccccc1OC ZINC000253636735 KK Annotated Bother CC(=O)Nc1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(NC(C)=O)cc4)cc3)cc2)cc1 ZINC000253636748 KK Annotated Reactive CC[N@@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@+](C)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000253636769 KK Annotated Bother CC[N@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000253636774 KK Annotated Bother CC[N@@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000253636778 KK Annotated Bother CCCCCCCCCCC[C@H](O)CC(=O)N[C@H]1[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H](CO)O[C@H]1OCCCN(CC(=O)O)C(=O)C[C@H](O)CCCCCCCCCCC ZINC000253636844 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H]1[C@H](OCCCN(CC(=O)O)C(=O)C[C@H](O)CCCCCCCCCCC)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)C[C@@H](O)CCCCCCCCCCC ZINC000253636851 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)N[C@H]1[C@H](OC(=O)C[C@@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H](CO)O[C@H]1OCCCN(CC(=O)O)C(=O)C[C@H](O)CCCCCCCCCCC ZINC000253636855 KK Annotated Mild CCCCCCCCCCC[C@H](O)CC(=O)N[C@@H]1[C@H](OCCCN(CC(=O)O)C(=O)C[C@H](O)CCCCCCCCCCC)O[C@H](CO)[C@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253636860 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000253636866 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253636870 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000253636874 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253636877 KK Annotated Reactive O[C@H]([C@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@@H](O)[C@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000253636917 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@H](O)[C@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000253636921 KK Annotated Anodyne CCCCCCCCNC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253636967 KK Annotated Mild CCCCCCCCNC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253636969 KK Annotated Mild CO[C@@H]1[C@@H](C)O[C@@H](OC[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)[C@@H](OC(=O)OCc2ccccc2)[C@@H]1OC(=O)OCc1ccccc1 ZINC000253637099 KK Annotated Mild C/N=C(\S)NCCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)[C@@H](O)C(F)(F)C(=O)N1CCO[C@H](CCN)C1 ZINC000253637176 KK Annotated Mild C/N=C(\S)NCCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)C(F)(F)C(=O)N1CCO[C@H](CCN)C1 ZINC000253637181 KK Annotated Mild O[C@H]([C@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000253637200 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@H](O)[C@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000253637204 KK Annotated Anodyne CC[N@@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@+](C)(CC)Cc1ccccc1C)Cc1ccccc1C ZINC000253637282 KK Annotated Bother CC[N@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1C)Cc1ccccc1C ZINC000253637289 KK Annotated Bother CC[N@@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1C)Cc1ccccc1C ZINC000253637293 KK Annotated Bother O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@@H](O)[C@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000253637341 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@H](O)[C@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000253637343 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000253637345 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@H](O)[C@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000253637346 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000253637348 KK Annotated Anodyne O[C@H]([C@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000253637358 KK Annotated Anodyne O[C@H]([C@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@H](O)[C@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000253637363 KK Annotated Anodyne CCCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253637623 KK Annotated Anodyne CC[N@@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F ZINC000253637661 KK Annotated Bother CC[N@@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@+](C)(CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F ZINC000253637667 KK Annotated Bother CC[N@+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F ZINC000253637674 KK Annotated Bother CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cc(C)no1 ZINC000253637677 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253637708 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253637715 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253637720 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253637725 KK Annotated Bother CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cccnc1 ZINC000253637788 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253638012 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253638015 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253638017 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253638019 KK Annotated Bother N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000253638054 KK Annotated Anodyne N[C@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000253638057 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253638107 KK Annotated Mild CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253638110 KK Annotated Mild CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253638212 KK Annotated Anodyne CC1(C)C(=O)[C@H](Br)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000253638220 KK Annotated Reactive CC1(C)C(=O)[C@H](Br)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000253638225 KK Annotated Reactive CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)[C@H](Br)C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000253638229 KK Annotated Reactive CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)C(=O)[C@H](Br)C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000253638234 KK Annotated Reactive COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253638236 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253638243 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253638246 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253638249 KK Annotated Bother C[C@H]1CCCCN1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638455 KK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638456 KK Annotated Anodyne C[C@@H]1CCCCN1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000253638457 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCC[C@@H](C(=O)O)C2)c(C(F)(F)F)c1 ZINC000253638458 KK Annotated Anodyne O=C(O)[C@@H]1CCCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000253638459 KK Annotated Anodyne O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000253638628 KK Annotated Anodyne O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000253638630 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCC1 ZINC000253638661 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000253638726 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000253638730 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000253638765 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@@H](O)[C@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000253638818 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@H](O)[C@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000253638820 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000253638821 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000253638882 KK Annotated Reactive O=C1N([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)CC[C@@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000253638890 KK Annotated Anodyne O=C1N([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)CC[C@]1(O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000253638892 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(OCC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000253638899 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(O)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000253638961 KK Annotated Reactive CCOC(=O)CC[C@](F)(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000253638975 KK Annotated Mild O=S(=O)(NC[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000253638989 KK Annotated Anodyne O=S(=O)(NC[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000253638990 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(C)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000253638992 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(O)nc2=O)O[C@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000253639217 KK Annotated Reactive COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCOC(=O)CCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253639228 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCOC(=O)CCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253639232 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCOC(=O)CCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253639235 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCOC(=O)CCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000253639238 KK Annotated Bother O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@@H](O)[C@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000253639296 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@H](O)[C@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000253639299 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000253639301 KK Annotated Anodyne CC(C)(C)[C@H](O)c1ccc(C(=O)OC[C@@H](COC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)OC(=O)c2ccc([C@@H](O)C(C)(C)C)cc2)cc1 ZINC000253639314 KK Annotated Anodyne CC(C)(C)[C@H](O)c1ccc(C(=O)OC[C@@H](COC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)OC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)cc1 ZINC000253639319 KK Annotated Anodyne CCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)[C@H](C)[C@@H]6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]3C ZINC000253639339 KK Annotated Bother CC[N@@+](C)(CCCCCC(=O)N(CCCCCCCCN(C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1OC)C(C)C)C(C)C)Cc1ccccc1OC ZINC000253639342 KK Annotated Bother CCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)[C@H](C)[C@H]6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]3C ZINC000253639345 KK Annotated Bother CC[N@@+](C)(CCCCCC(=O)N(CCCCCCCCN(C(=O)CCCCC[N@+](C)(CC)Cc1ccccc1OC)C(C)C)C(C)C)Cc1ccccc1OC ZINC000253639346 KK Annotated Bother CCCCCCO[C@H](C)c1c(C)c2cc3[nH]c(c4c5[nH]c(cc6nc(cc1n2)[C@@H](C)[C@H]6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)N(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]3C ZINC000253639348 KK Annotated Bother CC[N@+](C)(CCCCCC(=O)N(CCCCCCCCN(C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1OC)C(C)C)C(C)C)Cc1ccccc1OC ZINC000253639350 KK Annotated Bother COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253639363 KK Annotated Mild COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000253639365 KK Annotated Bother COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253639368 KK Annotated Mild COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000253639371 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCCCCC[N@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000253639375 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000253639380 KK Annotated Bother CN(C)c1ccc(C=Nc2ccc(SSc3ccc(N=Cc4ccc(N(C)C)cc4)cc3)cc2)cc1 ZINC000253639558 KK Annotated Reactive CCc1cc(Nc2cc(=O)n(CCCCCN3C[C@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)[C@H]4C3)c(O)n2)ccc1C ZINC000253639694 KK Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCCN3C[C@@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)O)cn6C5CC5)[C@H]4C3)c(O)n2)ccc1C ZINC000253639698 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(O)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000253639787 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000253639824 KK Annotated Reactive COc1ccccc1S(=O)(=O)C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000253640046 KK Annotated Anodyne CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]4CC[C@]32C)C1=O ZINC000253640074 KK Annotated Reactive CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]4CC[C@]32C)C1=O ZINC000253640077 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](OCOCCO[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253640115 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CCC1CCCCC1 ZINC000253640290 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000253640338 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000253640342 KK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000253640345 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)C(F)(F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253640953 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)C(F)(F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253640956 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253641688 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253641691 KK Annotated Anodyne N#Cc1ccc(COC[C@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000253642393 KK Annotated Mild N#Cc1ccc(COC[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000253642397 KK Annotated Mild O[C@H]([C@H](COCc1ccccc1)OCc1ccccc1F)[C@@H](O)[C@H](COCc1ccccc1)OCc1ccccc1F ZINC000253642418 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccccc1F)[C@H](O)[C@H](COCc1ccccc1)OCc1ccccc1F ZINC000253642419 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccccc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1F ZINC000253642420 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@](CCCCc3ccccc3)(C[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253646610 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](C[C@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253646617 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](CCCCc3ccccc3)(C[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253646623 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](C[C@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253646626 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253648176 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](CCCCCCC[C@]3(C[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253648181 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](CCCCCCC[C@]3(C[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253648186 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@@H]4C(=O)O[C@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253648190 KK Annotated Reactive CC1=C([C@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@@H]2c3ccc4c(c3C(=O)C(=O)[C@@H]12)CCCC4(C)C ZINC000253650567 KK Annotated Clean O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000253651276 KK Annotated Anodyne COc1cc(C(=O)Oc2c(O)cc3c(c2C)[C@H](O)C[C@@H]2[C@@]3(C)CC[C@@]3(C)[C@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]23C)ccc1O ZINC000253655039 KK Annotated Anodyne COc1cc(C(=O)Oc2c(O)cc3c(c2C)[C@H](O)C[C@H]2[C@@]3(C)CC[C@@]3(C)[C@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]23C)ccc1O ZINC000253655044 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1S2)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1S2 ZINC000253655804 KK Annotated Anodyne C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253656197 KK Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253656604 KK Annotated Reactive C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253656606 KK Annotated Reactive CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC(=O)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1 ZINC000253658959 KK Annotated Anodyne O=[N+]([O-])c1cccc(C=NNc2nc(NN=Cc3cccc([N+](=O)[O-])c3)nc(Nc3cccc4ccccc34)n2)c1 ZINC000253659016 KK Annotated Mild C[C@@H]1CC(N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000253660117 KK Annotated Anodyne C[C@H]1C[C@H](N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000253660119 KK Annotated Anodyne C[C@H]1C[C@H](N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000253660121 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)[C@H]([C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000253660166 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)[C@H]([C@@H](C)CCC[C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000253660167 KK Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC(=O)C1=NS(=O)(=O)N(Cc2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)=C1 ZINC000253660168 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000253663453 KK Annotated Anodyne O=P(OCc1ccccc1)(OCc1ccccc1)O[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]2OC3(CCCCC3)O[C@@H]12 ZINC000253663458 KK Annotated Anodyne CC[C@H]1C[C@]2(C[C@@H](CC)N1Cc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccccc1 ZINC000253664375 KK Annotated Bother CC[C@H]1C[C@@]2(C[C@@H](CC)N1Cc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccccc1 ZINC000253664377 KK Annotated Bother C[C@H]1[C@@]2(O)[C@H](C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3[C@H](CC(=O)[C@]4(C)[C@H]5C[C@@]6(CCC(C)(C)O6)O[C@H]5C[C@]34O)[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000253664384 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3C[C@H](O)[C@H]4C5=C[C@@H]7O[C@]8(CC[C@](C)(O)CO8)[C@@H](C)[C@]7(O)[C@@]5(C)[C@H](O)C[C@@H]4[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CCC(C)(C)O2 ZINC000253664496 KK Annotated Anodyne C[C@H]1[C@@]2(O)[C@H](C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CCC(C)(C)O6)C[C@@H]5[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000253664530 KK Annotated Anodyne C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253664616 KK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253664620 KK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253664625 KK Annotated Reactive C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253664628 KK Annotated Reactive CO[C@H]1c2nc3c(nc2C[C@@H]2CC[C@H]4C5=CC[C@@H]6[C@@H](C)[C@]7(OC[C@]56C(=O)C[C@@H]4[C@]21C)OC(C)(C)C[C@H]7O)C[C@@]1(C)[C@@H](CC[C@H]2C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]21)C3 ZINC000253664663 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OC(C)C)CC2)C(=O)OC12CCN([C@@H]1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000253664962 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OC(C)C)CC2)C(=O)OC12CCN([C@H]1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000253664964 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)/C=C/c1ccccc1Cl)[C@@H](OC(=O)/C=C/c1ccccc1Cl)C(C)(C)O)C1=C2C[C@H](OC(=O)/C=C/c3ccccc3Cl)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000253665195 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)/C2=C(\C)COC(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O[C@@H](C)c1ccccc1 ZINC000253665201 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)/C2=C(\C)COC(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@H](C)c1ccccc1 ZINC000253665207 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)/C2=C(\C)COC(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O[C@@H](C)c1ccccc1 ZINC000253665213 KK Annotated Anodyne CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000253665216 KK Annotated Reactive CC(=O)O[C@@H]1[C@H](O[C@@H]2C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)/C2=C(\C)COC(=O)CCC(C)C)OC[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O[C@H](C)c1ccccc1 ZINC000253665219 KK Annotated Anodyne CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000253665223 KK Annotated Reactive CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000253665227 KK Annotated Reactive CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000253665382 KK Annotated Anodyne COc1ccc([C@@](C#N)(CCCN2CCc3cc(O)c(O)cc3[C@H]2C)Sc2ccc(C)cc2)cc1OC ZINC000253665387 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000253665392 KK Annotated Anodyne COc1ccc([C@](C#N)(CCCN2CCc3cc(O)c(O)cc3[C@H]2C)Sc2ccc(C)cc2)cc1OC ZINC000253665394 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCc1cc(O)ccc1O ZINC000253665400 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCc1cc(O)ccc1O ZINC000253665409 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)[C@@H](C)C=C(C(=O)O1)[C@]34O)O2 ZINC000253665420 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253665470 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000253665477 KK Annotated Anodyne C=CC[C@H](C[C@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000253665693 KK Annotated Mild C=CC[C@H](C[C@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C[C@H]1CC[C@@H](O)[C@@H](OC)C1 ZINC000253665701 KK Annotated Mild C=CC[C@H](C[C@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C[C@@H]1CC[C@@H](O)[C@@H](OC)C1 ZINC000253665709 KK Annotated Mild C=CC[C@H](C[C@H](C)C[C@H](C)C[C@H](OC)[C@@H]1O[C@](O)(C(=O)C(=O)N2CCCCC2)[C@H](C)C[C@@H]1OC)C(=O)C[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C[C@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000253665715 KK Annotated Mild C[C@H](C[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@@H](OC(=O)CNC(=O)OC(C)(C)C)C(C)(C)O)C1=C2C[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000253665888 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](O)[C@@]2(O)C3=O ZINC000253666376 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](O)[C@@]2(O)C3=O ZINC000253666385 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H]1c1c(O)c3c(c(CCC(C)(C)Cl)c1O2)O[C@]12[C@@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](O)[C@]2(O)C3=O ZINC000253666391 KK Annotated Mild CCc1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6[nH]c(cc1[nH]2)[C@@]1(C)C6=CC=C(C(=O)OC)[C@@H]1C(=O)OC)nc45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253666534 KK Annotated Bother CCc1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6[nH]c(cc1[nH]2)[C@]1(C)C6=CC=C(C(=O)OC)[C@H]1C(=O)OC)nc45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253666544 KK Annotated Bother CN(C)c1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000253666629 KK Annotated Anodyne CN(C)c1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000253666637 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7 ZINC000253666707 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000253666745 KK Annotated Clean C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253666761 KK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253666772 KK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253666779 KK Annotated Reactive C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@@H](CC(=O)[C@]57CO[C@@]8(OC(C)(C)[C@H](C)[C@@H]8C)[C@H](C)[C@H]5[C@@H](O)C[C@H]47)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000253666816 KK Annotated Anodyne CO[C@H]1c2nc3c(nc2C[C@@H]2CC[C@H]4C5=CC[C@@H]6[C@H](C)[C@@]7(OC[C@]56C(=O)C[C@@H]4[C@]21C)OC(C)(C)C[C@H]7O)C[C@@]1(C)[C@@H](CC[C@H]2C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]21)C3 ZINC000253666843 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(N[C@@H]2C[C@H]3CC[C@H]2C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000253666862 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccc(Br)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 ZINC000253666864 KK Annotated Clean CCCCN(CCCC)CCCNc1nc(N[C@H]2C[C@H]3CC[C@H]2C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000253666868 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(Br)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(Br)cc1 ZINC000253666870 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000253666920 KK Annotated Clean CC(=O)O[C@H]1C[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13 ZINC000253666953 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13 ZINC000253666961 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13 ZINC000253666967 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13 ZINC000253666972 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000253667159 KK Annotated Reactive COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000253667262 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000253667268 KK Annotated Anodyne CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253668004 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@@H](CC(=O)[C@]5(C)[C@@H]7[C@H](C[C@]45O)O[C@]4(CC[C@](C)(O)CO4)[C@H]7C)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000253668109 KK Annotated Anodyne COc1cc(Br)c(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)[C@@H]2CC[C@H](C[C@@H]3CC[C@@H](N)CC3)CC2)cc1OC ZINC000253668235 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(=O)[C@@H]4CC[C@H](NC(=O)OC(C)(C)C)CC4)c3)oc2c1 ZINC000253668242 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@H](c2cccc(Cl)c2)N(c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000253668256 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C(C)=CCC(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(C)C=C(C)C=C[C@@H](O)[C@H](C)[C@H](OC)C(C)=CC=C[C@@H]2C)cs1 ZINC000253668257 KK Annotated Reactive COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(OCc3ccccc3)cc2)N(c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000253668271 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)[C@@H]2CC[C@H]([C@H](C)CC[C@@]3(C(C)(C)O)CO3)[C@]21C ZINC000253668280 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)[C@@H]2CC[C@H]([C@H](C)CC[C@]3(C(C)(C)O)CO3)[C@]21C ZINC000253668290 KK Annotated Anodyne COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000253668298 KK Annotated Mild COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000253668304 KK Annotated Mild COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)[C@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000253668311 KK Annotated Mild COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000253668319 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)O)C[C@]2(CC=C(C)C)C1=O ZINC000253668353 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CCC(C)(C)O)C[C@]2(CC=C(C)C)C1=O ZINC000253668361 KK Annotated Mild CC[C@H]1CCCN(CCc2c([C@H]3CCCc4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000253668663 KK Annotated Anodyne C=C(c1ccc(OC[C@@H](O)COc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000253669565 KK Annotated Reactive CCc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@]1(C)C5=CC=C(C(=O)OC)[C@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253669666 KK Annotated Bother CCc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@@]1(C)C5=CC=C(C(=O)OC)[C@@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253669671 KK Annotated Bother C=C(Cl)CN1C[C@H](OC[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)O[C@H](C)[C@H]1C ZINC000253669722 KK Annotated Mild C[C@@H](S[C@@H]1CO[C@@H](c2ccc(C(=O)Nc3ccc(C#N)c(Cl)c3)cc2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000253669804 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CCC(C)(C)NC(C)=O)C[C@]2(CC=C(C)C)C1=O ZINC000253669826 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)NC(C)=O)C[C@]2(CC=C(C)C)C1=O ZINC000253669831 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(C(N)=O)n2)n1 ZINC000253670371 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@@H](OC)c2coc(C(N)=O)n2)n1 ZINC000253670374 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(C(N)=O)n2)n1 ZINC000253670376 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@H](C)[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H](C)[C@H](OC)c2coc(C(N)=O)n2)n1 ZINC000253670379 KK Annotated Mild Cc1cc(O)c2c3c(cc4c(c13)O[C@H](C)C4(C)C)C(=O)[C@H](/N=c1\c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c53)O[C@H](C)C4(C)C)C2=O ZINC000253670381 KK Annotated Anodyne Cc1cc(O)c2c3c(cc4c(c13)O[C@H](C)C4(C)C)C(=O)[C@@H](/N=c1\c(=O)c3cc4c(c5c(C)cc(O)c(c1=O)c53)O[C@H](C)C4(C)C)C2=O ZINC000253670382 KK Annotated Anodyne O=C1O[C@@H](O[P@](=O)(Cc2cccc3ccccc23)O[C@H]2OC(=O)c3c(Cl)ccc(Cl)c32)c2c(Cl)ccc(Cl)c21 ZINC000253670879 KK Annotated Anodyne CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000253670934 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000253670938 KK Annotated Mild C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@](=O)(O)OCC ZINC000253671043 KK Annotated Mild CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000253671089 KK Annotated Anodyne CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000253671095 KK Annotated Anodyne CO[C@H](C[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000253671100 KK Annotated Anodyne CO[C@H](C[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000253671107 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](OC(C)=O)[C@@H]6OC6(C)C)C(=O)[C@H](OC(C)=O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@@H]1OC(C)=O ZINC000253673036 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](OC(C)=O)[C@@H]6OC6(C)C)C(=O)[C@H](OC(C)=O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@H]1OC(C)=O ZINC000253673042 KK Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000253673113 KK Annotated Anodyne CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]21 ZINC000253673203 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]21 ZINC000253673211 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@H]12 ZINC000253673219 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000253673225 KK Annotated Mild CCCCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253673414 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)CC1 ZINC000253673511 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@@]23O[C@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@@H]([C@H]25)[C@@H]4[C@@H]63)CC1 ZINC000253673519 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@@]23O[C@@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@@H]5[C@H]6C[C@@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000253673525 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)CC1 ZINC000253673534 KK Annotated Anodyne CCCC[C@@H]1[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@]68c9c5c4c(c-%14c9[C@H]%15[C@H]%18[C@@]%206C[N+](C)(C)[C@@H]8CCCC)[C@H]2[C@@H]%13%10)[C@]73C[N+]1(C)C ZINC000253673647 KK Annotated Bother CCCC[C@@H]1[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@]68c9c5c4c(c-%14c9[C@H]%15[C@H]%18[C@@]%206C[N+](C)(C)[C@@H]8CCCC)[C@H]2[C@@H]%13%10)[C@@]73C[N+]1(C)C ZINC000253673655 KK Annotated Bother CCCC[C@H]1[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@]68c9c5c4c(c-%14c9[C@H]%15[C@H]%18[C@@]%206C[N+](C)(C)[C@@H]8CCCC)[C@H]2[C@@H]%13%10)[C@@]73C[N+]1(C)C ZINC000253673663 KK Annotated Bother CCCC[C@H]1[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@]68c9c5c4c(c-%14c9[C@H]%15[C@H]%18[C@@]%206C[N+](C)(C)[C@@H]8CCCC)[C@H]2[C@@H]%13%10)[C@]73C[N+]1(C)C ZINC000253673668 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253673693 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253673699 KK Annotated Anodyne O=C1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000253673724 KK Annotated Anodyne O=C1[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1[C@@]1(c2ccccc2)CC[C@H](N2CCC3(CCOC3)CC2)CC1 ZINC000253673738 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C=C1[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H]([C@H](C#N)N1[C@H]2CN1[C@H](C#N)c2ccccc2[C@H]1C#N)N3C ZINC000253673931 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253674144 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253674151 KK Annotated Anodyne COc1cc(C[C@H]2c3cc4c(cc3CC[N@@+]2(C)CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N@+]2(C)CCc3cc5c(cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)OCO5)OCO4)cc(OC)c1OC ZINC000253674161 KK Annotated Bother COc1cc(C[C@@H]2c3cc4c(cc3CC[N@@+]2(C)CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]2(C)CCc3cc5c(cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)OCO5)OCO4)cc(OC)c1OC ZINC000253674169 KK Annotated Bother CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000253674179 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1CC=CC=CC(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)CC=C[C@H](OC)C[C@H](C)CC=C(C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000253674332 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1CC=CC=CC(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)CC=C[C@H](OC)C[C@H](C)CC=C(C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000253674347 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N\OCc2ccc(F)cc2)C=CC(C)=C[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000253674359 KK Annotated Mild CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000253674428 KK Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000253674431 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N\OCc2ccc(F)cc2)C=CC(C)=C[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000253675489 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N\OCc2ccc(F)cc2)C=CC(C)=C[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000253675499 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N\OCc2ccc(F)cc2)C=CC(C)=C[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000253675507 KK Annotated Mild CCCNC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000253675619 KK Annotated Anodyne CCCNC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000253675627 KK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253675725 KK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253675731 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253676014 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253676032 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000253676192 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253676197 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253676204 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000253676210 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253676260 KK Annotated Mild CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253676265 KK Annotated Mild CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253676269 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676304 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@H](c2ccccc2Br)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676482 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253676488 KK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(OC)cc3)N[C@@H](c3ccc(OC)cc3)[C@H]2C)n1 ZINC000253676515 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)[C@H]2C)n1 ZINC000253676522 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2C)N(C)[C@H](c2ccccc2C)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253677661 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2C)N(C)[C@@H](c2ccccc2C)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253677677 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000253677678 KK Annotated Mild CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000253677801 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000253677809 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@@H]2[C@H](C(=O)C[C@@]3(C)[C@H]2C[C@@H]2O[C@]4(C[C@H](C)C(C)(C)O4)[C@](C)(O)[C@@H]23)[C@@]1(C)C7 ZINC000253677815 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000253677817 KK Annotated Anodyne C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)C(=O)C3)CC2)C1=O ZINC000253677826 KK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4)C(=O)C3)CC2)C1=O ZINC000253677834 KK Annotated Anodyne CCc1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000253677863 KK Annotated Anodyne CCc1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@@]4(C(=O)N(Cc5ccccc5)c5ccc(F)cc54)[C@H]3C2=O)cc1 ZINC000253677868 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(C(=O)NC[C@H]4CCCO4)n3)CC2(C)C)cc1 ZINC000253677886 KK Annotated Clean O=C(OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)c4ccccc4)[C@@H]4O[C@]4(COC(=O)c4ccccc4)[C@@H]23)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000253677890 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000253677966 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000253677972 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000253678007 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000253678016 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000253678023 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000253678028 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000253678037 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000253678046 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000253678050 KK Annotated Mild CC1=C[C@H]2[C@H](C(C)C)C[C@H]1[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 ZINC000253678057 KK Annotated Mild CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@@H](O)[C@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000253678062 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)[C@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000253678069 KK Annotated Anodyne O=C(O)[C@@H](Cc1ccccc1)N1CSC(=S)N(CCCCCCN2CN([C@H](Cc3ccccc3)C(=O)O)CSC2=S)C1 ZINC000253678353 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCC[C@H]4CCCN4C)n3)CC2(C)C)cc1 ZINC000253678893 KK Annotated Clean CO[C@@H]1CC=CC=CC[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C(C)=C/CCC(=O)O)C[C@H](O)CCC1 ZINC000253678901 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(C)[C@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679077 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(C)[C@@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679084 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679158 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@H](c2ccc(Cl)cc2Cl)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679166 KK Annotated Anodyne CC(/C=C/[C@@H]1C[C@]2(CO2)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)C(F)(F)F)CC1 ZINC000253679246 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2)[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679282 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679290 KK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@H]2C)n1 ZINC000253679376 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)[C@H]2C)n1 ZINC000253679378 KK Annotated Mild CCCCCCCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)CCCCCCC)C(C)(C)OC(=O)CCCCCCC)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000253679415 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679461 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253679466 KK Annotated Anodyne O=C1[C@@H]2[C@H](c3ccc(Cl)c(Cl)c3)N3C[C@H](OCc4ccccc4)C[C@]3(C(=O)O)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000253679563 KK Annotated Anodyne O=C1[C@@H]2[C@H](c3ccc(Cl)c(Cl)c3)N3C[C@H](OCc4ccccc4)C[C@@]3(C(=O)O)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000253679570 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253679843 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253679854 KK Annotated Anodyne CCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)[C@@H](C)[C@@H]6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253679860 KK Annotated Mild O=C(NCc1cccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCC1 ZINC000253679866 KK Annotated Anodyne CCOc1ccc(Nc2c(C)c(N[C@@H]3CC[C@@H](NCCc4ccccc4)CC3)c(C#N)c3ccnn23)cc1 ZINC000253679904 KK Annotated Mild CO[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253679918 KK Annotated Anodyne CO[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCC4(CCOC4)CC3)CC2)C1=O ZINC000253679923 KK Annotated Anodyne COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CC[C@H]2CCCC[C@H]2C1 ZINC000253679946 KK Annotated Mild CCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)[C@@H](C)[C@@H]6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253680291 KK Annotated Bother CCCCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)[C@@H](C)[C@@H]6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000253680359 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)C(F)(F)CC(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253680392 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c5nc(cc6[nH]c(cc(n2)[C@H]1C)c([C@H](C)OC)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)c(=O)n(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(=O)c4c3C ZINC000253680410 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253681498 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253681501 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253681507 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253681609 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253681614 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@](Cc3cccc(F)c3)(C[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253681797 KK Annotated Reactive CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000253681800 KK Annotated Mild C[C@@H]1CC[C@H]2[C@](Cc3cccc(F)c3)(C[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253681807 KK Annotated Reactive C[C@H](C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C1=C2C[C@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000253681932 KK Annotated Reactive O=[N+]([O-])c1ccc(Nc2nc(NN=Cc3ccccc3I)nc(Nc3ccccc3)n2)cc1 ZINC000253682020 KK Annotated Mild C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000253682236 KK Annotated Anodyne C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253682999 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253683001 KK Annotated Reactive C=C1[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H](Cc2c[nH]cn2)C(=C)C[C@H](C(C)=O)CCCNC(=O)C[C@@H]1[C@H](C)C(=O)[C@H](Cc1ccccc1)NC ZINC000253683021 KK Annotated Mild C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@H](C)C(=O)[C@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@@H](C)[C@H]1Cc1c[nH]cn1 ZINC000253683022 KK Annotated Mild C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@H](C)C(=O)[C@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000253683023 KK Annotated Mild C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@H](C)C(=O)[C@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@@H](C)[C@@H]1Cc1c[nH]cn1 ZINC000253683024 KK Annotated Mild CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CC[C@@H]2CCCO2)CC1 ZINC000253683071 KK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CC[C@H]2CCCO2)CC1 ZINC000253683079 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2c(c6C)c1=O)C1=CC=C(C(=O)OC)[C@@H](C(=O)OC)[C@@]15C)c(CC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253683092 KK Annotated Bother Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(O)nc1=O ZINC000253683106 KK Annotated Clean Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(O)nc1=O ZINC000253683116 KK Annotated Clean CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]23)cc1 ZINC000253683187 KK Annotated Anodyne CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3C[C@@H]4[C@@H]5CC[C@H](O)[C@H]5CC[C@@H]4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc-2c1=O ZINC000253683212 KK Annotated Mild CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3C[C@@H]4[C@@H]5CC[C@H](O)[C@@H]5CC[C@H]4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc-2c1=O ZINC000253683224 KK Annotated Mild CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3C[C@@H]4[C@@H]5CC[C@H](O)[C@H]5CC[C@H]4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc-2c1=O ZINC000253683231 KK Annotated Mild CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253683264 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253683272 KK Annotated Reactive CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000253683277 KK Annotated Anodyne COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000253683300 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000253683309 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000253683316 KK Annotated Mild COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253683439 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253683452 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253683461 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000253683470 KK Annotated Bother CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@H]3C2=O)cc1 ZINC000253683748 KK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@H]3C2=O)cc1 ZINC000253683761 KK Annotated Anodyne COc1ccc(CN2C[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)OC[C@H]2C)cc1 ZINC000253683996 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCOC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253684210 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCOC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253684215 KK Annotated Anodyne C=C(C=O)C[C@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1 ZINC000253684499 KK Annotated Reactive C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@H]1[C@@H]2C(=O)OC ZINC000253684507 KK Annotated Anodyne C=CC[N@+]1(CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000253684515 KK Annotated Mild C=CC[N@+]1(CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000253684525 KK Annotated Mild C=CC[N@+]1(CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000253684535 KK Annotated Mild C=CC[N@+]1(CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)CCc2cc(OC)c(OC)cc2[C@H]1Cc1ccc(OC)c(OC)c1 ZINC000253684545 KK Annotated Mild CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000253684637 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253684646 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253684654 KK Annotated Anodyne CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000253684731 KK Annotated Mild CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000253684746 KK Annotated Mild CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 ZINC000253684756 KK Annotated Mild CC1=C(COC(=O)CNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@@H]4CC[C@]23C)C1 ZINC000253684761 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000253684914 KK Annotated Mild CSc1ccc(CC(=O)OCC[C@@]23C[C@@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253684917 KK Annotated Mild CSc1ccc(CC(=O)OCC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253684922 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000253684925 KK Annotated Mild 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CC[C@]1(O)c2cc3nc4c(c5nc(cc6[nH]c(cc([nH]2)[C@]1(C)O)c(C=O)c6C)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(=O)oc(=O)c4c3C ZINC000253688252 KK Annotated Bother CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000253688566 KK Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](CC=CC(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000253688569 KK Annotated Reactive CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000253688572 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253688576 KK Annotated Reactive C=C(Cl)CN1C[C@H](OC[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)O[C@@H]2CCC[C@H]21 ZINC000253688704 KK Annotated Mild CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000253688726 KK Annotated Anodyne CCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OCCCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253688791 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253689592 KK Annotated Reactive CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 ZINC000253689822 KK Annotated Reactive CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 ZINC000253689831 KK Annotated Reactive CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 ZINC000253689840 KK Annotated Reactive CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 ZINC000253689850 KK Annotated Reactive CCCCCC[C@@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1CCCCCC ZINC000253689941 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1c1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1c1ccccc1 ZINC000253690036 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1Cc1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1Cc1ccccc1 ZINC000253690057 KK Annotated Anodyne C=CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2CCCCCCCCO[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(=O)nc3O)O2)C1 ZINC000253690094 KK Annotated Anodyne C=CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2CCCCCCCCO[P@](=O)(O)OC[C@@H]2C=C[C@@H](n3cc(C)c(=O)nc3O)O2)C1 ZINC000253690102 KK Annotated Anodyne C=CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CCCCCCCCO[P@](=O)(O)OC[C@@H]4C=C[C@@H](n5cc(C)c(=O)nc5O)O4)CC[C@H]32)C1 ZINC000253690111 KK Annotated Anodyne C=CO[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CCCCCCCCO[P@](=O)(O)OC[C@@H]4C=C[C@H](n5cc(C)c(=O)nc5O)O4)CC[C@H]32)C1 ZINC000253690119 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253690276 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253690282 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@H]21 ZINC000253690382 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000253690388 KK Annotated Mild CO[C@H]1CN(CC=C(Cl)Cl)C[C@H](OC[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)O[C@@H]1C ZINC000253690401 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000253690525 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCc1cc(O)ccc1O ZINC000253690536 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000253690544 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCc1cc(O)ccc1O ZINC000253690552 KK Annotated Anodyne CC(C)(C)[C@H](C1=C(O)O[C@@H]2CCCCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253690554 KK Annotated Mild CC(C)(C)[C@H](C1=C(O)O[C@H]2CCCCCC[C@H]2C1=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000253690564 KK Annotated Mild COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCCCOC(=O)CC[N@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253690670 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCCCOC(=O)CC[N@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253690687 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253690701 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCCCCCCCCCOC(=O)CC[N@@+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000253690715 KK Annotated Bother C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCC[C@@H]4C(=O)O[C@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253691654 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@]3(C[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253691661 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCC[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253691669 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@]3(C[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253691679 KK Annotated Reactive Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](F)[C@@H]2N=[N+]=[N-])c(O)nc1=O ZINC000253691686 KK Annotated Clean Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](F)[C@H]2N=[N+]=[N-])c(O)nc1=O ZINC000253691695 KK Annotated Clean COc1ccc2c(c1)[C@H](O[P@@](=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3ccc(OC)cc31)OC2=O ZINC000253691747 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(OC)cc5[C@H](OC)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000253691776 KK Annotated Anodyne CCCOc1ccc(C(=O)OCC[C@@]23C[C@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253691899 KK Annotated Mild CCCOc1ccc(C(=O)OCC[C@@]23C[C@@H]4[C@H](CC[C@H]4C)[C@@]4(C=O)C[C@H]2C=C(C(C)C)[C@]43C(=O)O)cc1 ZINC000253691917 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CC[C@H]4CCCC[C@H]4C3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000253692008 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CC[C@@H]4CCCC[C@H]4C3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000253692020 KK Annotated Anodyne CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000253692903 KK Annotated Mild CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000253692911 KK Annotated Mild CCc1c(C)c2cc3nc(c(C(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@]1(C)C5=CC=C(C(=O)OC)[C@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCCC(=O)OC)[C@@H]3C ZINC000253692921 KK Annotated Bother CCc1c(C)c2cc3nc(c(C(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@@]1(C)C5=CC=C(C(=O)OC)[C@@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCCC(=O)OC)[C@@H]3C ZINC000253692928 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)N[C@H]1c1ccccc1)CCCN1c2ccccc2C(=O)N[C@H]1c1ccccc1 ZINC000253692933 KK Annotated Bother C[C@@H]1CC[C@H]2[C@](Cc3ccc(F)cc3)(C[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253693001 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@](Cc3ccc(F)cc3)(C[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000253693008 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253693013 KK Annotated Reactive C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000253693018 KK Annotated Reactive CCCCCCO[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253693414 KK Annotated Mild Cc1ccc2c(c1-c1ccccc1)C(=O)O[C@H]2O[P@](=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c1ccc(C)c2-c1ccccc1 ZINC000253693714 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(-c3ccccc3)cc2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000253693766 KK Annotated Mild CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@@H]1C1(c2ccc3c(c2OC)OCO3)SCCCS1 ZINC000253694354 KK Annotated Anodyne CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccc(F)cc5)N[C@@H](c5ccc(F)cc5)C3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000253694624 KK Annotated Mild CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCc4c3C)[C@](O)(CC)[C@@]1(C)O ZINC000253694707 KK Annotated Bother C=C(C[C@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@@]4(CC[C@]5(CC=C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C ZINC000253694804 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN([C@H]3CCSC3)CC2)c1 ZINC000253694818 KK Annotated Mild C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4Cl)C(=O)C3)CC2)C1=O ZINC000253694925 KK Annotated Anodyne C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN([C@@]2(c3ccccc3)CC[C@H](N3CCN(c4ccccc4Cl)C(=O)C3)CC2)C1=O ZINC000253694935 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(C)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000253695008 KK Annotated Reactive CC[C@@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)C[C@H]12 ZINC000253695068 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253695755 KK Annotated Bother investigational CO[C@H]1CN(Cc2ccc(SC)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000253696550 KK Annotated Mild CCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@H](C)OC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000253697140 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253697873 KK Annotated Anodyne CCCCCCCC(=O)O[C@H]1[C@@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000253697878 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)[C@@H]1C#Cc1ccccc1 ZINC000253698614 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)[C@@H]1C#Cc1ccccc1 ZINC000253698617 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)[C@@H]1C#Cc1ccccc1 ZINC000253698620 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)[C@@H]1C#Cc1ccccc1 ZINC000253698623 KK Annotated Mild Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](N=[N+]=[N-])[C@@H]2F)c(O)nc1=O ZINC000253698805 KK Annotated Clean Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](N=[N+]=[N-])[C@H]2F)c(O)nc1=O ZINC000253698812 KK Annotated Clean COc1cc(OC)c2c(c1)[C@H](O[P@@](=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3c(OC)cc(OC)cc31)OC2=O ZINC000253699039 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN([C@@H]4C=CCCC4)[C@H](C)CO2)[C@]13C(=O)O ZINC000253700342 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@H]1CC ZINC000253700606 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@H]1CC ZINC000253700618 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@H]1CC ZINC000253700628 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@H]1CC ZINC000253700639 KK Annotated Anodyne CC[C@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)C[C@@H]21 ZINC000253701879 KK Annotated Mild CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2N2CC[C@H]3C=CC=C[C@H]3C2)cc1 ZINC000253705034 KK Annotated Anodyne CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc(C(=O)O)c1 ZINC000253706250 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)O)c1 ZINC000253706263 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(C(=O)O)c1 ZINC000253706273 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc(C(=O)O)c1 ZINC000253706284 KK Annotated Mild CCc1c(C)nc(O)c(NC(=O)CCCCCCCCC(=O)NCCCCNC(=O)CCOC[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)C[C@H]2N=[N+]=[N-])c1Cc1cc(C)cc(C)c1 ZINC000253707055 KK Annotated Clean C=C(C)[C@@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253708192 KK Annotated Mild C=C(C)[C@@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253708210 KK Annotated Mild C=C(C)[C@@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253708229 KK Annotated Mild C=C(C)[C@@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253708243 KK Annotated Mild C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C)[C@@H](O)[C@@H](O)[C@@H](C)C(C)(C)C ZINC000253710735 KK Annotated Anodyne C[C@H]([C@H](O)[C@@H](O)[C@@H](C)C(C)(C)C)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@]12C ZINC000253710742 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(C[C@@H]1CCC[N@@+]1(C)CC)C(C)=O)OC ZINC000253714056 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(C[C@H]1CCC[N@+]1(C)CC)C(C)=O)OC ZINC000253714068 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(C[C@@H]1CCC[N@+]1(C)CC)C(C)=O)OC ZINC000253714078 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(C[C@H]1CCC[N@@+]1(C)CC)C(C)=O)OC ZINC000253714086 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(O)ccc(O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@H]12 ZINC000253723728 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@@H]45)[C@]3(C)CC[C@H]12 ZINC000253723733 KK Annotated Anodyne CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@H](C)CC)C(=O)[C@]2(CC=C(C)C)C[C@H](CC=C(C)C)C1(C)C ZINC000253723911 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@H](C)CC)C(=O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)C1(C)C ZINC000253723917 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2OC(O)=C(C(=O)[C@H](C)CC)C(=O)[C@]2(CC=C(C)C)C[C@@H](CC=C(C)C)C1(C)C ZINC000253723920 KK Annotated Mild CCCCC/C=C/[C@H](O)CCCCC/C=C/[C@@H](CCCCCCCC(=O)O[C@H](C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000253723983 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)N(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253731948 KK Annotated Bother c1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000253731972 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CC[C@@H](CNc4ccnc(NC[C@@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C ZINC000253733495 KK Annotated Anodyne C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@@H]2CC[N@+]1(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)C[C@@H]2C=C ZINC000253734091 KK Annotated Mild C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@@H]2CC[N@@+]1(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)C[C@@H]2C=C ZINC000253734092 KK Annotated Mild COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)cc1OC ZINC000253738062 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@@H]4[C@H]2C6)cc1OC ZINC000253738082 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)cc1OC ZINC000253738098 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCCCCCCCCOC(=O)CC[N@+]2(C)CC[C@@]34c5c6ccc(OC)c5O[C@@H]3[C@@H](OC)C=C[C@H]4[C@H]2C6)cc1OC ZINC000253738115 KK Annotated Bother Cc1ccc([C@H]2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)[C@@H](c3ccc(N)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000253740295 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CC[C@@H](CNc4ccnc(NC[C@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C ZINC000253749434 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](O)[C@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000253752185 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@H](O)[C@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000253752193 KK Annotated Anodyne Cc1c(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5[C@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4[C@@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(=O)O ZINC000253752247 KK Annotated Bother Cc1c(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5[C@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4[C@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(=O)O ZINC000253752255 KK Annotated Bother Cc1c(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)c(C)c5[C@@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c4[C@H](COC(=O)C1=CC1)OC(=O)C1=CC1)c(C)c3CCC(=O)O ZINC000253752265 KK Annotated Bother O[C@H]([C@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@@H](O)[C@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000253754117 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@H](O)[C@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000253754128 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000253754135 KK Annotated Anodyne COc1ccc(CN2C[C@H](OC[C@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]3C=C(C(C)C)[C@@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000253754324 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]3C=C(C(C)C)[C@@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000253754333 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]3C=C(C(C)C)[C@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000253754340 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@H]3C=C(C(C)C)[C@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000253754345 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@@H](OP(=O)(O)O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253756593 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@@H](OP(=O)(O)O)[C@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253756607 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H](OP(=O)(O)O)[C@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253756621 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000253756637 KK Annotated Mild O=C1c2ccccc2C(=O)N1[C@@H]1CC[C@H](c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1 ZINC000253761218 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(C(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000253761303 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C1=O ZINC000253761683 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C1=O ZINC000253761696 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C1=O ZINC000253761702 KK Annotated Mild CCCC[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000253770426 KK Annotated Anodyne O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000253776420 KK Annotated Reactive C=C1[C@@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000253776535 KK Annotated Mild c1ccc(CON=C2[C@H]3[C@@H](c4ccccc4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1 ZINC000253776563 KK Annotated Mild c1ccc(CON=C2[C@H]3[C@@H](c4ccccc4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)N[C@H]3c2ccccc2)cc1 ZINC000253776579 KK Annotated Mild c1ccc(CON=C2[C@@H]3[C@@H](c4ccccc4)N[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C[C@H]3c2ccccc2)cc1 ZINC000253776590 KK Annotated Mild c1ccc(CON=C2[C@H]3[C@@H](c4ccccc4)C[C@@H](c4ccccc4)[C@H]2[C@@H](c2ccccc2)N[C@@H]3c2ccccc2)cc1 ZINC000253776603 KK Annotated Mild c1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000253776986 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN1C[C@@H](C)N(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)C[C@H]1C ZINC000253777069 KK Annotated Mild CCCCCCCCCCCCCCCCCCN1C[C@H](C)N(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)C[C@H]1C ZINC000253777075 KK Annotated Mild CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CSc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000253778317 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CSc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000253778327 KK Annotated Anodyne CCCCCCCCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)OC(=O)C(=O)NCCCCCCCCC)O4)CC[C@]23C)C1(C)C ZINC000253778483 KK Annotated Mild Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]3c2ccc(Cl)cc2)cc1 ZINC000253778572 KK Annotated Mild Clc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(Cl)cc2)N[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000253778587 KK Annotated Mild C[N@@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253780493 KK Annotated Bother C[N@@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253780507 KK Annotated Bother C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253780519 KK Annotated Bother C[N@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253780533 KK Annotated Bother Cc1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000253780622 KK Annotated Anodyne COc1cc(Cc2cnc(/N=C3\C(=O)N(CN4CCN(c5c(F)cc6c(=O)c(C(=O)O)cn(C7CC7)c6c5OC)C[C@H]4C)c4ccc(C)cc43)nc2N)cc(OC)c1OC ZINC000253780672 KK Annotated Mild O=C1Nc2ccc(Br)cc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000253780795 KK Annotated Anodyne CC(C)CCCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000253781128 KK Annotated Anodyne C[N@@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253782522 KK Annotated Bother C[N@@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253782535 KK Annotated Bother C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253782547 KK Annotated Bother C[N@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000253782557 KK Annotated Bother C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000253782676 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000253782684 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000253782693 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000253782702 KK Annotated Anodyne CC(C)(C)C1CCC(CN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000253782712 KK Annotated Anodyne COc1ccc(OC)c(NC(=O)CC(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]3[C@@H]([C@]5(C)CC[C@H](C(C)(C)OC(=O)C(=O)Nc6cc(OC)ccc6OC)O5)CC[C@]34C)C2(C)C)c1 ZINC000253782816 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)O[C@@H](O)[C@@]1(C)[C@H]2CC[C@@]12[C@@H]3N[C@H]4[C@@H](CC[C@@]45CCC[C@H]51)[C@]2(C)CC[C@@H]3C(C)C ZINC000253782971 KK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@]12CN(c1ccccc1)CCC2=O ZINC000253783091 KK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@]12CN(c1ccccc1)CCC2=O ZINC000253783101 KK Annotated Anodyne Fc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(F)cc2)N[C@H]3c2ccc(F)cc2)cc1 ZINC000253783243 KK Annotated Mild Fc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(F)cc2)N[C@@H]3c2ccc(F)cc2)cc1 ZINC000253783251 KK Annotated Mild CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN([C@@H]2C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C2)C[C@@H]1C ZINC000253783601 KK Annotated Mild CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN([C@H]2C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C2)C[C@@H]1C ZINC000253783614 KK Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000253783626 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@H](c3ccccc3)[C@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000253783637 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](c3ccccc3)[C@H](c3ccccc3)[C@@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000253783643 KK Annotated Anodyne CCCCCC[C@]1(O)c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3ccc(n3)c(-c3cccc(O)c3)c3ccc([nH]3)c2-c2cccc(O)c2)[C@@]1(O)CCCCCC ZINC000253803020 KK Annotated Bother CCCCCC[C@@]1(O)c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3ccc(n3)c(-c3cccc(O)c3)c3ccc([nH]3)c2-c2cccc(O)c2)[C@]1(O)CCCCCC ZINC000253803031 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c%22c4c7c4c9c(c%10%14)c7c%15c%18c%21c7c%224)[C@@]2(C1)[C@@H]%20[C@@H]1C2=C%19[C@@H]%17[C@@H]4C7=C2[C@H]2[C@@H]1[C@H]3C5=C1[C@H]2c2c7c(c-%12c3c2[C@]12C[N+](C)(C)C[C@]62[C@H]8[C@@H]3%11)[C@@H]4[C@H]%13%16 ZINC000253803544 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c%22c4c7c4c9c(c%10%14)c7c%15c%18c%21c7c%224)[C@@]2(C1)[C@@H]%20[C@@H]1C2=C%19[C@@H]%17[C@@H]4C7=C2[C@@H]2[C@H]9C(=C5[C@H]3[C@H]21)[C@]12C[N+](C)(C)C[C@]61[C@H]8[C@H]%11c1c-%12c(c7c9c12)[C@@H]4[C@H]%13%16 ZINC000253803552 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c%22c4c7c4c9c(c%10%14)c7c%15c%18c%21c7c%224)[C@@]2(C1)[C@@H]%20[C@@H]1C2=C%19[C@@H]%17[C@@H]4C7=C2[C@@H]2[C@H]9C(=C5[C@@H]3[C@H]21)[C@]12C[N+](C)(C)C[C@]61[C@H]8[C@H]%11c1c-%12c(c7c9c12)[C@@H]4[C@H]%13%16 ZINC000253803565 KK Annotated Bother C[N+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c%22c4c7c4c9c(c%10%14)c7c%15c%18c%21c7c%224)[C@@]2(C1)[C@@H]%20[C@@H]1C2=C%19[C@@H]%17[C@@H]4C7=C2[C@H]2[C@@H]1[C@@H]3C5=C1[C@H]2c2c7c(c-%12c3c2[C@]12C[N+](C)(C)C[C@]62[C@H]8[C@@H]3%11)[C@@H]4[C@H]%13%16 ZINC000253803575 KK Annotated Bother COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)CCCCC(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253804874 KK Annotated Bother COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[N@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253805086 KK Annotated Bother COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@+](C)(CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253805098 KK Annotated Bother Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)[C@@](O)(C(F)(F)F)[C@]3(O)C(F)(F)F)c1 ZINC000253805178 KK Annotated Bother Oc1cccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)[C@](O)(C(F)(F)F)[C@@]3(O)C(F)(F)F)c1 ZINC000253805181 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)CCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000253806660 KK Annotated Bother CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[C@@H]1C(=O)c1ccc2c(c1OC)OCO2 ZINC000253809448 KK Annotated Anodyne OC[C@@H](CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000253809506 KK Annotated Anodyne C[C@@H](CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000253810662 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)COc1ccccc1)[C@@H](OC(=O)COc1ccccc1)C(C)(C)O)C1=C2C[C@H](OC(=O)COc3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000253810787 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253819977 KK Annotated Mild CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253819980 KK Annotated Mild CS/C(=N\CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)[C@@H](O)CC(=O)N1CCO[C@H](CCN)C1)NC#N ZINC000253837257 KK Annotated Mild CS/C(=N\CCCC[C@H](NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N1CCO[C@H](CCN)C1)NC#N ZINC000253837263 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837279 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837288 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837297 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837308 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ccncc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837432 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ccncc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837443 KK Annotated Anodyne C[C@H]1C[C@]2(O[C@H]3C[C@]4(C(=O)C[C@H]5[C@H]4CC[C@H]4Cc6nc7c(nc6C[C@@]45C)C[C@@H]4C[C@H](O)[C@H]5C6=C[C@@H]8O[C@]9(CC[C@](C)(O)CO9)[C@@H](C)[C@]8(O)[C@@]6(C)[C@H](O)C[C@@H]5[C@@]4(C)C7)[C@@](C)(O)[C@H]3[C@@H]2C)OC1(C)C ZINC000253837626 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000253837774 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000253837777 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837838 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837847 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837854 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253837858 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)/C(=N\O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000253838013 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)/C(=N\O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000253838018 KK Annotated Mild O=C(O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000253838946 KK Annotated Anodyne O=C(O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000253838950 KK Annotated Anodyne CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@@H](C/C=C/c4ccc5ccccc5c4)CCCN(C)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O ZINC000253838953 KK Annotated Mild CCCCCCCCCC[N@+]1(C)C[C@@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c%19c(c%18%14)c9c%13c%10c6c9c24)C2=C4c6c(c-%16c9c%10c6[C@H]([C@@H]5C7=C%10[C@]5(C[N+](C)(C)C[C@]8%115)[C@H]9[C@H]%15%12)[C@@]43C1)[C@@H]%17[C@H]2%20 ZINC000253839034 KK Annotated Mild in-vivo CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(C)(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253839151 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(C)(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253839158 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)CC(F)(F)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253839163 KK Annotated Bother O[C@H]([C@H](COCc1ccccc1F)OCc1ccccc1)[C@@H](O)[C@H](COCc1ccccc1F)OCc1ccccc1 ZINC000253848535 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1F)OCc1ccccc1)[C@H](O)[C@H](COCc1ccccc1F)OCc1ccccc1 ZINC000253848538 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1 ZINC000253848542 KK Annotated Anodyne CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@]2(CC=C(C)C)C1=O ZINC000253848829 KK Annotated Mild CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@]2(CC=C(C)C)C1=O ZINC000253848838 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253849568 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253849578 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3C[C@H](O)[C@H]4C5=C[C@@H]7O[C@]8(CC[C@](C)(O)CO8)[C@@H](C)[C@]7(O)[C@@]5(C)[C@H](O)C[C@@H]4[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000253849925 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COCOCC[Si](C)(C)C)(OCOCC[Si](C)(C)C)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000253850721 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COCOCC[Si](C)(C)C)(OCOCC[Si](C)(C)C)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000253850729 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)c(CO)c3C2)cc1OC ZINC000253850816 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)c(CO)c3C2)cc1OC ZINC000253850821 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)c(CO)c3C2)cc1OC ZINC000253850829 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N@+]2(C)CCc3cc(OC)c(OC)c(CO)c3C2)cc1OC ZINC000253850837 KK Annotated Bother CCOc1cccc2c1C(=O)O[C@H]2O[P@](=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c(OCC)cccc21 ZINC000253850920 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@@+]1(C)CCc3cc(OC)c(OC)cc3[C@@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253851588 KK Annotated Bother C=C[C@H]1C[N@+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@H]2[C@H](OCc1ccccc1)c1ccnc2ccccc12 ZINC000253852569 KK Annotated Mild CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@H](CN)c1ccc(Cl)cc1 ZINC000253852654 KK Annotated Anodyne CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@H](CN)c1ccc(Cl)cc1 ZINC000253852662 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253853816 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253853821 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000253853826 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000253853831 KK Annotated Anodyne CCO[C@@H]1CC[C@@H](CN2C[C@H](c3ccccn3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1 ZINC000253854824 KK Annotated Mild COc1cc2c(cc1OC)C1c3cc(OC)c(OC)cc3CC[N+]1(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253855499 KK Annotated Bother C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1ccc2ccccc2c1 ZINC000253855550 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C[C@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253856446 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C[C@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000253856450 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253856532 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253856540 KK Annotated Anodyne CCCCCCCCCCCCO[P@](=O)(O)O[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000253859685 KK Annotated Mild CCCCCCCCCCCCO[P@](=O)(O)O[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000253859689 KK Annotated Mild CCCCCCCCCCCCO[P@](=O)(O)O[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000253859693 KK Annotated Mild CCCCCCCCCCCCO[P@](=O)(O)O[C@@H]1O[C@H](C(N)=O)[C@H](O)[C@H](NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(=O)c1cccc(C(F)(F)F)c1 ZINC000253859697 KK Annotated Mild CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)CC=CC=CC(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)CC=C[C@H](OC)C[C@H](C)CC=C1C ZINC000253861259 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)CC=CC=CC(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)CC=C[C@H](OC)C[C@H](C)CC=C1C ZINC000253861269 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000253861483 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000253861485 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000253861488 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000253861490 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4CC(=O)[C@]23C)C[C@@H]2CC(=O)[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253861515 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4CC(=O)[C@]23C)C[C@@H]2CC(=O)[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000253861519 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4CC(=O)[C@]23C)C[C@@H]2CC(=O)[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000253861524 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4CC(=O)[C@]23C)C[C@@H]2CC(=O)[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253861527 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253861535 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253861541 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253861546 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253861552 KK Annotated Reactive COc1cc2c(cc1OC)[C@@H](Cc1cc(OC)c(OC)c(OC)c1)[N@+](C)(CCCOC(=O)/C=C(\Cl)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253862629 KK Annotated Bother CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)[C@@H]1c1ccccc1 ZINC000253863473 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)[C@@H]1c1ccccc1 ZINC000253863475 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)[C@@H]1c1ccccc1 ZINC000253863477 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C2)[C@@H]1c1ccccc1 ZINC000253863479 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C[C@H](C)CC)cc2OC(=O)C[C@@H](C)CC)c(OC(=O)C[C@H](C)CC)c1 ZINC000253863486 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C[C@H](C)CC)cc2OC(=O)C[C@H](C)CC)c(OC(=O)C[C@H](C)CC)c1 ZINC000253863489 KK Annotated Anodyne CO[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000253863551 KK Annotated Mild C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CC[C@@](C)(O)CO2 ZINC000253863826 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@@]12CC[C@](C)(O)CO2 ZINC000253863829 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000253867376 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3C)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1C ZINC000253867377 KK Annotated Anodyne C=C(C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)/C=C/c3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)/C=C/c1ccccc1 ZINC000253868364 KK Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](CO)C[C@@H]2[C@@]1(C)C7 ZINC000253868532 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@H](CO)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7 ZINC000253868537 KK Annotated Anodyne O=C1/C(=N\c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)C=C(Nc2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)c2ccccc21 ZINC000253868599 KK Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000253869863 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000253869872 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000253869882 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000253869889 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(Cl)cccc5[C@H](Nc5ccccc5Cl)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000253869939 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253869971 KK Annotated Mild CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253869975 KK Annotated Mild CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000253869977 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000253869993 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@H]1[C@@H]2C(=O)OC ZINC000253869995 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@H]1[C@@H]2C(=O)OC ZINC000253869997 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@H]1[C@H]2C(=O)OC ZINC000253869999 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@H]12 ZINC000253870008 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@@H]45)[C@]3(C)CC[C@H]12 ZINC000253870009 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)[C@@H](O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@@H]2[C@](C)([C@@H](O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000253870012 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)[C@@H](O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@H]2[C@](C)([C@@H](O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000253870013 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)[C@@H](O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@@H]2[C@](C)([C@@H](O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000253870015 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)[C@@H](O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@H]2[C@](C)([C@@H](O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000253870017 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C=C(\F)C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000253870035 KK Annotated Bother CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000253883843 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(OCC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000253883845 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(C(=O)O)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000253884008 KK Annotated Reactive CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000253896487 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000253896490 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000253896628 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(O)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(O)cc1 ZINC000253896631 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253896641 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253896649 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253896655 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253896661 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32C)C[C@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@H](C)[C@@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253898091 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32C)C[C@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@H](C)[C@@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253898092 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@H](C)[C@@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253898093 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@H](C)[C@@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253898094 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253907787 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253907791 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253907794 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253907799 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000253907811 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000253907815 KK Annotated Reactive C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@H]4C5=C[C@@H]7O[C@]8(C[C@](C)(CO)CO8)[C@@H](C)[C@@H]7[C@@]5(C)[C@H](O)C[C@H]4[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CCC(C)(C)O2 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C[C@@H]1[C@@H]2c3cc4c5c6c3C3=C7c8c9c%10c%11c%12c%13c%14c%15c(c-5c5c%16c%15c%15c%17c%18c%19c%20c%21c%22c(c(c8c8c%22c%22c%20c%18c%18c%15c%14c%11c%18c%22c%108)[C@@H]72)[C@@H]1[C@]%211CC=%19[C@]1([C@@H]1C[N+](C)(C)C[C@]451)[C@H]%16%17)[C@@H]%13[C@@H]6[C@@]31C[N+](C)(C)C[C@@]9%121 ZINC000253908013 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4c5c6c3C3=C7c8c9c%10c%11c%12c%13c%14c%15c(c-5c5c%16c%15c%15c%17c%18c%19c%20c%21c%22c(c(c8c8c%22c%22c%20c%18c%18c%15c%14c%11c%18c%22c%108)[C@@H]72)[C@@H]1[C@]%211CC=%19[C@]1([C@@H]1C[N+](C)(C)C[C@]451)[C@H]%16%17)[C@@H]%13[C@@H]6[C@]31C[N+](C)(C)C[C@]9%121 ZINC000253908016 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4c5c6c3C3=C7c8c9c%10c%11c%12c%13c%14c%15c(c-5c5c%16c%15c%15c%17c%18c%19c%20c%21c%22c(c(c8c8c%22c%22c%20c%18c%18c%15c%14c%11c%18c%22c%108)[C@@H]72)[C@@H]1[C@]%211CC=%19[C@]1([C@@H]1C[N+](C)(C)C[C@]451)[C@H]%16%17)[C@@H]%13[C@@H]6[C@]31C[N+](C)(C)C[C@@]9%121 ZINC000253908020 KK Annotated Bother C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@@H]2[C@H](CC(=O)[C@@]3(C)[C@H]2C[C@@H]2O[C@]4(CC[C@H](C)CO4)[C@@H](C)[C@@H]23)[C@@]1(C)C7 ZINC000253908026 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253908030 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000253908032 KK Annotated Anodyne C[N@+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@@]%223C1)[C@@H]4[C@@H]7c1c-8c(c-%16c(c1-%24)[C@H]%23[C@H]%17%20)[C@@H]%15[C@H]9%12 ZINC000253908058 KK Annotated Bother C[N@+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@@]%223C1)[C@@H]4[C@@H]7c1c-8c(c-%16c(c1-%24)[C@H]%23[C@@H]%17%20)[C@@H]%15[C@H]9%12 ZINC000253908063 KK Annotated Bother C[N@+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@@]%223C1)[C@@H]4[C@@H]7c1c-%24c(c-%16c(c1-8)[C@@H]%15[C@H]9%12)[C@@H]%23[C@@H]%17%20 ZINC000253908066 KK Annotated Bother C[N@+]1(CCOCCOCCN)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c(c2c%22c2c%22c%25c%26c(c5c(c6%10)c5c%11c6c%13c(c%14%18)c%10c%19c(c%212)c%25c%10c6c%265)[C@@]%223C1)[C@@H]4[C@@H]7c1c-8c(c-%16c(c1-%24)[C@@H]%23[C@H]%17%20)[C@@H]%15[C@H]9%12 ZINC000253908069 KK Annotated Bother C=C(COC(C)=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1 ZINC000253915597 KK Annotated Mild C=C(COC(C)=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1 ZINC000253915603 KK Annotated Mild C=C(COC(C)=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1 ZINC000253915607 KK Annotated Mild C=C(COC(C)=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253915611 KK Annotated Mild Cc1ccc(Cn2c(O)c(N=NC(S)=Nc3ccccc3F)c3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 ZINC000253915705 KK Annotated Mild CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000253915712 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000253915715 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000253915718 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)O)O3)O[C@H](CC1)[C@H]2C ZINC000253915737 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@@H]2C ZINC000253915743 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@H](C)O)O1)[C@@H]2C ZINC000253915746 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@H]2C ZINC000253915750 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000253915780 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@H](C)O2)C[C@H]1C ZINC000253915785 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000253915790 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@@H](C)O2)C[C@H]1C ZINC000253915793 KK Annotated Anodyne Cc1ccc(Nc2nc(NN=Cc3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000253915985 KK Annotated Mild COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3cc(C)ccc3F)c2)cc1 ZINC000253915991 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3cc(C)ccc3F)c2)cc1 ZINC000253915992 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3cc(C)ccc3F)c2)cc1 ZINC000253915993 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(OC)c(Cl)c3)c2)cc1 ZINC000253916122 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(OC)c(Cl)c3)c2)cc1 ZINC000253916127 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc(OC)c(Cl)c3)c2)cc1 ZINC000253916130 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H](C[C@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@H](C)C(=O)O)[C@H]4O)C3=O ZINC000253916140 KK Annotated Anodyne in-vitro CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H](C[C@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000253916144 KK Annotated Anodyne in-vitro CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H](C[C@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@H]4O)C3=O ZINC000253916147 KK Annotated Anodyne in-vitro CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H](C[C@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000253916150 KK Annotated Anodyne in-vitro COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000253916503 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000253916508 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000253916516 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000253916519 KK Annotated Anodyne CN(C)c1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000253916521 KK Annotated Anodyne CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c%16c%17c%18c%14c%14c9c%12c9c%12c%11c%11c%19c%20c%21c%22c%23c%24c%25c%21c%21c(c=%18c%14c9c%21c%20%12)[C@@H]%25[C@@H]%17[C@@]9(C1)C%16=C([C@@H]5[C@@H](C%23=C4[C@H]([C@H]2[C@@H]%10%11)[C@H]%22%19)[C@H]%249)[C@@]61C[N+](C)(C)C[C@@]%151[C@H]%138)[C@H]73 ZINC000253916560 KK Annotated Bother CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c%16c%17c%18c%14c%14c9c%12c9c%12c%11c%11c%19c%20c%21c%22c%23c%24c%25c%21c%21c(c=%18c%14c9c%21c%20%12)[C@@H]%25[C@@H]%17[C@@]9(C1)C%16=C([C@@H]5[C@@H](C%23=C4[C@@H]([C@H]2[C@@H]%10%11)[C@H]%22%19)[C@H]%249)[C@@]61C[N+](C)(C)C[C@@]%151[C@H]%138)[C@H]73 ZINC000253916566 KK Annotated Bother CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c%16c%17c%18c%14c%14c9c%12c9c%12c%11c%11c%19c%20c%21c%22c%23c%24c%25c%21c%21c(c=%18c%14c9c%21c%20%12)[C@@H]%25[C@@H]%17[C@@]9(C1)C%16=C([C@@H]5[C@@H](C%23=C4[C@@H]([C@H]2[C@H]%10%11)[C@H]%22%19)[C@H]%249)[C@@]61C[N+](C)(C)C[C@@]%151[C@H]%138)[C@H]73 ZINC000253916571 KK Annotated Bother CC[N+]1(CC)C[C@@]23C4=C5C6=C7[C@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c%16c%17c%18c%14c%14c9c%12c9c%12c%11c%11c%19c%20c%21c%22c%23c%24c%25c%21c%21c(c=%18c%14c9c%21c%20%12)[C@@H]%25[C@@H]%17[C@@]9(C1)C%16=C([C@@H]5[C@@H](C%23=C4[C@H]([C@H]2[C@H]%10%11)[C@H]%22%19)[C@H]%249)[C@@]61C[N+](C)(C)C[C@@]%151[C@H]%138)[C@H]73 ZINC000253916575 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCc5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253917096 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCc5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253917101 KK Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@H]2[C@@H](CCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000253917187 KK Annotated Bother O=C1[C@H]2[C@H](C=CC[C@H]2c2cccc(/C=C/c3ccccc3)c2)[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000253917800 KK Annotated Anodyne O=C1[C@@H]2[C@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000253917804 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000253917843 KK Annotated Anodyne COc1cc([C@H](C2=C(C)[C@@H]3C(=O)C(=O)c4c(ccc5c4CCCC5(C)C)[C@H]3O2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc(OC)c1OC ZINC000253918488 KK Annotated Clean COc1cc([C@H](C2=C(C)[C@H]3C(=O)C(=O)c4c(ccc5c4CCCC5(C)C)[C@H]3O2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc(OC)c1OC ZINC000253918491 KK Annotated Clean C[C@H](C[C@H](OC(=O)CCC1CCCCC1)[C@@H](OC(=O)CCC1CCCCC1)C(C)(C)O)C1=C2C[C@H](OC(=O)CCC3CCCCC3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000253918505 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@](O)(C[C@@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000253918510 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@](O)(C[C@@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000253918513 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253918594 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253918600 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000253918604 KK Annotated Reactive COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](NC(=O)[C@@H](CC(=O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000253918721 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](NC(=O)[C@@H](CC(=O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000253918724 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](NC(=O)[C@@H](CC(=O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000253918726 KK Annotated Anodyne CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@@H]5C=C[C@H](n6cc(C)c(O)nc6=O)O5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253918731 KK Annotated Mild CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@@H]5C=C[C@H](n6cc(C)c(O)nc6=O)O5)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253918733 KK Annotated Mild CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@@H]5C=C[C@H](n6cc(C)c(O)nc6=O)O5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253918735 KK Annotated Mild CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OCC(=O)OC[C@@H]5C=C[C@H](n6cc(C)c(O)nc6=O)O5)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000253918737 KK Annotated Mild C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253918754 KK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000253918756 KK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253918759 KK Annotated Reactive C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000253918761 KK Annotated Reactive COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000253920461 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920467 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920471 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920474 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920477 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920519 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920524 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920572 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253920579 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920627 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253920631 KK Annotated Bother CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C ZINC000253920692 KK Annotated Anodyne CC[C@H]1C=CC=CC[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2C ZINC000253920696 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253920769 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253920771 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253920773 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921140 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccccc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921144 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253921149 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000253921152 KK Annotated Bother COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921154 KK Annotated Bother COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921158 KK Annotated Bother COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000253921161 KK Annotated Bother C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCCC4=O)c3)C(=O)N2[C@H]1c1ccc(-c2ccco2)cc1 ZINC000253921256 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1cccc(N2CCCC2=O)c1 ZINC000253921259 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCCC4=O)c3)C(=O)N2[C@H]1c1ccc(-c2ccco2)cc1 ZINC000253921261 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4cccc(N5CCCC5=O)c4)[C@H](C)CC[C@@H]3C(=O)N2[C@H]1c1ccc(-c2ccco2)cc1 ZINC000253921264 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000253928605 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000253928613 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5[nH]c(cc6nc2c(c6C)c1=O)[C@H](CC)[C@H]5C)c([C@H](C)OCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OCCC ZINC000253930070 KK Annotated Bother C[C@@H]1[C@]2(O[C@H]3C=C4[C@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@H]1CC[C@H]3C4=C[C@@H]5O[C@@]6(CCC(C)(C)O6)[C@@H](C)[C@H]5[C@@]4(C)[C@H](O)C[C@H]3[C@@]1(C)C8)O[C@](C)(CO)C[C@H]2O ZINC000253930732 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253930739 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@H]1CC[C@H]3C4=C[C@@H]5O[C@@]6(CCC(C)(C)O6)[C@@H](C)[C@H]5[C@@]4(C)[C@H](O)C[C@H]3[C@@]1(C)C8)O[C@](C)(CO)C[C@H]2O ZINC000253930743 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000253930750 KK Annotated Anodyne CON=C1[C@@H]2[C@@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)[C@@H]1[C@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 ZINC000253946955 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(C)cc3)N[C@@H](c3ccc(C)cc3)[C@H]1[C@H](c1ccc(C)cc1)N[C@H]2c1ccc(C)cc1 ZINC000253946960 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C)cc3)N[C@@H](c3ccc(C)cc3)C1[C@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 ZINC000253946964 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(C)cc3)N[C@@H](c3ccc(C)cc3)[C@H]1[C@@H](c1ccc(C)cc1)N[C@H]2c1ccc(C)cc1 ZINC000253946967 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3cccc(OC)c3)N[C@H](c3cccc(OC)c3)[C@@H]1[C@H](c1cccc(OC)c1)N[C@@H]2c1cccc(OC)c1 ZINC000253946984 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(OC)c3)N[C@@H](c3cccc(OC)c3)[C@H]1[C@H](c1cccc(OC)c1)N[C@H]2c1cccc(OC)c1 ZINC000253946986 KK Annotated Mild CON=C1C2[C@@H](c3cccc(OC)c3)N[C@@H](c3cccc(OC)c3)C1[C@H](c1cccc(OC)c1)N[C@@H]2c1cccc(OC)c1 ZINC000253946988 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(OC)c3)N[C@@H](c3cccc(OC)c3)[C@H]1[C@@H](c1cccc(OC)c1)N[C@H]2c1cccc(OC)c1 ZINC000253946990 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccccc3Br)N[C@@H](c3ccccc3Br)[C@H]1[C@@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000253947048 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)[C@@H]1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000253947049 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3Br)N[C@@H](c3ccccc3Br)C1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000253947050 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccccc3Br)N[C@@H](c3ccccc3Br)[C@H]1[C@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000253947051 KK Annotated Mild CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000253947084 KK Annotated Anodyne ON=C1[C@H]2[C@@H](c3cccc(Cl)c3)N[C@@H](c3cccc(Cl)c3)[C@H]1[C@@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1 ZINC000253947105 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)[C@@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000253947110 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Cl)c3)N[C@@H](c3cccc(Cl)c3)C1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000253947114 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(Cl)c3)N[C@@H](c3cccc(Cl)c3)[C@H]1[C@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1 ZINC000253947116 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccccc3OC)N[C@H](c3ccccc3OC)[C@@H]1[C@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000253947138 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3OC)[C@H]1[C@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000253947141 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3OC)C1[C@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000253947144 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3OC)N[C@@H](c3ccccc3OC)[C@H]1[C@@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000253947146 KK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000253947634 KK Annotated Mild Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000253947638 KK Annotated Mild Cc1ccc([C@H]2N[C@H](c3ccc(C)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000253947639 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@@H](c3cccc(Oc4ccccc4)c3)[C@H]1[C@H](c1cccc(Oc3ccccc3)c1)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000253947642 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@@H](c3cccc(Oc4ccccc4)c3)[C@H]1[C@@H](c1cccc(Oc3ccccc3)c1)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000253947646 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)[C@@H]1[C@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000253947651 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@H]1[C@@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253947658 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)[C@@H]1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000253947660 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@H]1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253947662 KK Annotated Mild CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000253947680 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000253947683 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CN3C[C@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000253947687 KK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)[C@@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000253947691 KK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000253947696 KK Annotated Anodyne ON=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000253947701 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)[C@@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000253947705 KK Annotated Mild ON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000253947707 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000253947710 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccccc3F)N[C@@H](c3ccccc3F)[C@H]1[C@@H](c1ccccc1F)N[C@H]2c1ccccc1F ZINC000253947738 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)[C@@H]1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000253947741 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3F)N[C@@H](c3ccccc3F)C1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000253947743 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccccc3F)N[C@@H](c3ccccc3F)[C@H]1[C@H](c1ccccc1F)N[C@H]2c1ccccc1F ZINC000253947746 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccccc3C)N[C@H](c3ccccc3C)[C@@H]1[C@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000253947782 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3C)N[C@@H](c3ccccc3C)[C@H]1[C@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000253947785 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3C)N[C@@H](c3ccccc3C)C1[C@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000253947787 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3C)N[C@@H](c3ccccc3C)[C@H]1[C@@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000253947788 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(Br)c3)N[C@@H](c3cccc(Br)c3)[C@H]1[C@@H](c1cccc(Br)c1)N[C@H]2c1cccc(Br)c1 ZINC000253947794 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)[C@@H]1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000253947796 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Br)c3)N[C@@H](c3cccc(Br)c3)C1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000253947798 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(Br)c3)N[C@@H](c3cccc(Br)c3)[C@H]1[C@H](c1cccc(Br)c1)N[C@H]2c1cccc(Br)c1 ZINC000253947800 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@@H](c3cccc(Oc4ccccc4)c3)C1[C@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000253950977 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)[C@@H]1[C@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000253951013 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@@H](c3cccc(Oc4ccccc4)c3)[C@H]1[C@H](c1cccc(Oc3ccccc3)c1)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000253951017 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@@H](c3cccc(Oc4ccccc4)c3)[C@H]1[C@@H](c1cccc(Oc3ccccc3)c1)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000253951022 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@H]1[C@@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000253951027 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)[C@@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000253951041 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@H]1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000253951045 KK Annotated Mild C=CCC(=C)/C=C/[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCO)[C@@H](O)C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4[C@@H](O)[C@@]3(C)O[C@H]2CC1=C ZINC000253951086 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2cccc(F)c2)N[C@@H]1c1cccc(F)c1 ZINC000253951089 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2cccc(F)c2)N[C@H]1c1cccc(F)c1 ZINC000253951090 KK Annotated Anodyne Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)[C@@H]2C(=NO)[C@@H]1[C@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000253951099 KK Annotated Mild Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)[C@H]2C(=NO)[C@H]1[C@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000253951101 KK Annotated Mild Cc1ccccc1[C@H]1N[C@H](c2ccccc2C)[C@@H]2C(=NO)[C@@H]1[C@@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000253951103 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(C(C)C)cc3)N[C@@H](c3ccc(C(C)C)cc3)[C@H]1[C@H](c1ccc(C(C)C)cc1)N[C@H]2c1ccc(C(C)C)cc1 ZINC000253951125 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(C(C)C)cc3)N[C@@H](c3ccc(C(C)C)cc3)[C@H]1[C@@H](c1ccc(C(C)C)cc1)N[C@H]2c1ccc(C(C)C)cc1 ZINC000253951128 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C(C)C)cc3)N[C@@H](c3ccc(C(C)C)cc3)C1[C@H](c1ccc(C(C)C)cc1)N[C@@H]2c1ccc(C(C)C)cc1 ZINC000253951130 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccc(C(C)C)cc3)N[C@H](c3ccc(C(C)C)cc3)[C@@H]1[C@H](c1ccc(C(C)C)cc1)N[C@@H]2c1ccc(C(C)C)cc1 ZINC000253951132 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)[C@@H]2C(=NO)[C@@H]1[C@H](c1ccccc1OCC)N[C@@H]2c1ccccc1OCC ZINC000253951148 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)[C@H]2C(=NO)[C@H]1[C@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000253951150 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)[C@@H]2C(=NO)[C@@H]1[C@@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000253951151 KK Annotated Mild CCC(=O)N(C1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000253951187 KK Annotated Anodyne CCC(=O)N(C1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000253951189 KK Annotated Anodyne CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(CC)cc2)N[C@@H]3c2ccc(CC)cc2)cc1 ZINC000253951197 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000253951200 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000253951203 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@@H](c3ccc(C(C)C)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(C(C)C)cc2)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000253951205 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@@H](c3ccc(C(C)C)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(C(C)C)cc2)N[C@@H]3c2ccc(C(C)C)cc2)cc1 ZINC000253951207 KK Annotated Mild CC(C)c1ccc([C@H]2N[C@H](c3ccc(C(C)C)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(C(C)C)cc2)N[C@H]3c2ccc(C(C)C)cc2)cc1 ZINC000253951210 KK Annotated Mild CSc1ccc([C@H]2N[C@@H](c3ccc(SC)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(SC)cc2)N[C@@H]3c2ccc(SC)cc2)cc1 ZINC000253951230 KK Annotated Mild CSc1ccc([C@H]2N[C@@H](c3ccc(SC)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(SC)cc2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000253951234 KK Annotated Mild CSc1ccc([C@H]2N[C@H](c3ccc(SC)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(SC)cc2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000253951237 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 ZINC000253951254 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(F)cc2)N[C@H]1c1ccc(F)cc1 ZINC000253951257 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253951314 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253951315 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000253951316 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000253951317 KK Annotated Anodyne C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@H](N2CCN(c3ccccc3)C(=O)C2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000253951327 KK Annotated Anodyne C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@H](N2CCN(c3ccccc3)C(=O)C2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000253951328 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000253951426 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)CCOc1ccccc1)[C@@H](OC(=O)CCOc1ccccc1)C(C)(C)O)C1=C2C[C@H](OC(=O)CCOc3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000253951487 KK Annotated Anodyne C=C(C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)/C=C/c4ccccc4)C[C@]13O2)OC(=O)/C=C/c1ccccc1 ZINC000253951534 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(C)cc2)N[C@@H]1c1ccc(C)cc1 ZINC000253951795 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(C)cc2)N[C@H]1c1ccc(C)cc1 ZINC000253951796 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000253951797 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000253951798 KK Annotated Anodyne CON=C1[C@H]2[C@@H](c3cccc(Cl)c3)N[C@@H](c3cccc(Cl)c3)[C@H]1[C@@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1 ZINC000253951819 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)[C@@H]1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000253951821 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(Cl)c3)N[C@@H](c3cccc(Cl)c3)[C@H]1[C@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1 ZINC000253951822 KK Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@@H]3C(=NO)[C@@H]2[C@H](c2cccc(OC)c2)N[C@@H]3c2cccc(OC)c2)c1 ZINC000253951826 KK Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)[C@H]3C(=NO)[C@H]2[C@H](c2cccc(OC)c2)N[C@H]3c2cccc(OC)c2)c1 ZINC000253951828 KK Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2cccc(OC)c2)N[C@H]3c2cccc(OC)c2)c1 ZINC000253951830 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2)N(C(=O)CC)[C@@H]1c1ccccc1 ZINC000253951854 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2)N(C(=O)CC)[C@H]1c1ccccc1 ZINC000253951857 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2c(Br)cc(C(C)(C)c3cc(Br)c(OC[C@@H](O)CN4C[C@@H](C)C[C@@H](C)C4)c(Br)c3)cc2Br)C1 ZINC000253951859 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000253951861 KK Annotated Mild COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000253951863 KK Annotated Mild COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000253951865 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(F)c3)[C@H]1[C@@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000253951908 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)[C@@H]1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000253951910 KK Annotated Mild ON=C1C2[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(F)c3)C1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000253951913 KK Annotated Mild ON=C1[C@H]2[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(F)c3)[C@H]1[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000253951915 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253951952 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N(C(C)=O)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000253951959 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253951961 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000253951968 KK Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)[C@H]3C(=NOC)[C@H]2[C@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000253951972 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000253951975 KK Annotated Anodyne CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000253951977 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000253951982 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3F)N[C@@H](c3ccccc3F)[C@H]1[C@@H](c1ccccc1F)N[C@H]2c1ccccc1F ZINC000253952012 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)[C@@H]1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000253952014 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3F)N[C@@H](c3ccccc3F)[C@H]1[C@H](c1ccccc1F)N[C@H]2c1ccccc1F ZINC000253952017 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)[C@@H]1[C@H](c1ccc(OC)cc1)N[C@@H]2c1ccc(OC)cc1 ZINC000253952021 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccc(OC)cc3)[C@H]1[C@H](c1ccc(OC)cc1)N[C@H]2c1ccc(OC)cc1 ZINC000253952024 KK Annotated Mild CON=C1C2[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccc(OC)cc3)C1[C@H](c1ccc(OC)cc1)N[C@@H]2c1ccc(OC)cc1 ZINC000253952026 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccc(OC)cc3)[C@H]1[C@@H](c1ccc(OC)cc1)N[C@H]2c1ccc(OC)cc1 ZINC000253952029 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(Br)c3)N[C@@H](c3cccc(Br)c3)[C@H]1[C@@H](c1cccc(Br)c1)N[C@H]2c1cccc(Br)c1 ZINC000253952032 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)[C@@H]1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000253952035 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(Br)c3)N[C@@H](c3cccc(Br)c3)[C@H]1[C@H](c1cccc(Br)c1)N[C@H]2c1cccc(Br)c1 ZINC000253952039 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000253952040 KK Annotated Anodyne CCCC(=O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@H]2C)O1 ZINC000253952175 KK Annotated Anodyne CCCC(=O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000253952177 KK Annotated Anodyne CCCC(=O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000253952179 KK Annotated Anodyne CCCC(=O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@H]2C)O1 ZINC000253952181 KK Annotated Anodyne C[C@H]1[C@@H]2CC=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000253952191 KK Annotated Anodyne C[C@H]1[C@H]2CC=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000253952195 KK Annotated Anodyne C[C@H]1[C@H]2CC=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000253952198 KK Annotated Anodyne C[C@H]1[C@@H]2CC=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000253952200 KK Annotated Anodyne O=C(O)C1(C(=O)O)[C@@]23c4c5c6c7c8c4c4c2c2c9c%10c%11c=2c2c%12c%13c(c-5c5c%14c%13c%13c%15c=%14c%14c%16c%17c(c=7c7c8c8c4c9c4c8c8c7c%17c7c9c%16c%15c%15c%16c%13c%12c%11c%16c%11c%10c4c(c78)c%11c9%15)[C@@]%144C(C(=O)O)(C(=O)O)[C@@]654)[C@]213 ZINC000253952337 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000253952347 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000253952349 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000253952354 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000253952358 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl ZINC000253952822 KK Annotated Anodyne C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253952832 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)C3C(=NO)C2[C@@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253952836 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(OCC=C)cc2)N[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253952841 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253952845 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@H]1[C@@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000253952863 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)[C@@H]1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000253952865 KK Annotated Mild ON=C1C2[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)C1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000253952868 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)[C@H]1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000253952870 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@H](c2ccc(OCCC)cc2)N[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000253952882 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000253952885 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)[C@H]3C(=NOC)[C@H]2[C@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000253952887 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@H]3C(=NOC)[C@H]2[C@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000253952903 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@H](c2ccc(CC)cc2)N[C@@H]3c2ccc(CC)cc2)cc1 ZINC000253952908 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000253952914 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3Cl)[C@H]1[C@@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000253952941 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)[C@@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000253952946 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3Cl)[C@H]1[C@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000253952949 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@H](c3ccc(OCCCC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@@H](c2ccc(OCCCC)cc2)N[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000253952950 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)[C@H]3C(=NOC)[C@H]2[C@H](c2ccc(OCCCC)cc2)N[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000253952954 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)[C@@H]3C(=NOC)[C@@H]2[C@H](c2ccc(OCCCC)cc2)N[C@@H]3c2ccc(OCCCC)cc2)cc1 ZINC000253952956 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2cccc(OC)c2)N(C(=O)CC)[C@@H]1c1cccc(OC)c1 ZINC000253952957 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2cccc(OC)c2)N(C(=O)CC)[C@H]1c1cccc(OC)c1 ZINC000253952958 KK Annotated Anodyne CON=C1[C@@H]2[C@@H](c3ccc(SC)cc3)N[C@H](c3ccc(SC)cc3)[C@@H]1[C@H](c1ccc(SC)cc1)N[C@@H]2c1ccc(SC)cc1 ZINC000253952959 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(SC)cc3)N[C@@H](c3ccc(SC)cc3)[C@H]1[C@H](c1ccc(SC)cc1)N[C@H]2c1ccc(SC)cc1 ZINC000253952961 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(SC)cc3)N[C@@H](c3ccc(SC)cc3)[C@H]1[C@@H](c1ccc(SC)cc1)N[C@H]2c1ccc(SC)cc1 ZINC000253952964 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@@H]1c1ccc(Cl)cc1 ZINC000253952972 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(Cl)cc2)N[C@H]1c1ccc(Cl)cc1 ZINC000253952974 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@@H]1c1ccccc1Cl ZINC000253952981 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccccc2Cl)N[C@H]1c1ccccc1Cl ZINC000253952984 KK Annotated Anodyne ON=C1[C@H]2[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3Cl)[C@H]1[C@@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000253952987 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)[C@@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000253952990 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3Cl)C1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000253952994 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3Cl)[C@H]1[C@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000253952997 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000253953013 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000253953019 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000253953025 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)[C@H]3C(=NO)[C@H]2[C@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000253953073 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)[C@@H]3C(=NO)[C@@H]2[C@H](c2ccc(OCCC)cc2)N[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000253953083 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)[C@@H]3C(=NO)[C@@H]2[C@@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000253953088 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)[C@@H]3C(=NOC)[C@@H]2[C@H](c2ccc(OCC=C)cc2)N[C@@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253953109 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)[C@@H]3C(=NOC)[C@@H]2[C@@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253953115 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)[C@H]3C(=NOC)[C@H]2[C@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000253953121 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(F)c3)[C@H]1[C@@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000253953133 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)[C@@H]1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000253953141 KK Annotated Mild CON=C1[C@H]2[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(F)c3)[C@H]1[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000253953148 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)[C@H]2C(=NOC)[C@H]1[C@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000253953183 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)[C@@H]2C(=NOC)[C@@H]1[C@H](c1ccccc1OCC)N[C@@H]2c1ccccc1OCC ZINC000253953189 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)[C@@H]2C(=NOC)[C@@H]1[C@@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000253953195 KK Annotated Mild CCC(=O)NC1=NN(C(=O)CC)[C@@]2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(OC)cc2)N(C(=O)CC)[C@@H]1c1ccc(OC)cc1 ZINC000253953356 KK Annotated Anodyne CCC(=O)NC1=NN(C(=O)CC)C2(S1)[C@H]1CCC[C@H]2[C@H](c2ccc(OC)cc2)N(C(=O)CC)[C@H]1c1ccc(OC)cc1 ZINC000253953358 KK Annotated Anodyne COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@@H]2C(=NO)[C@@H]1[C@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000253953360 KK Annotated Mild COc1ccccc1[C@H]1N[C@@H](c2ccccc2OC)[C@H]2C(=NO)[C@H]1[C@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000253953361 KK Annotated Mild COc1ccccc1[C@H]1N[C@H](c2ccccc2OC)[C@@H]2C(=NO)[C@@H]1[C@@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000253953363 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000253953369 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)[C@@H]1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000253953370 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@H]1[C@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000253953372 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3Br)N[C@@H](c3ccccc3Br)[C@H]1[C@@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000253953375 KK Annotated Mild CON=C1[C@@H]2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)[C@@H]1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000253953377 KK Annotated Mild CON=C1[C@H]2[C@@H](c3ccccc3Br)N[C@@H](c3ccccc3Br)[C@H]1[C@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000253953380 KK Annotated Mild COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253961127 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000253961130 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000253961139 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000253961141 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000253966753 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCC[C@H](C)C4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000253966759 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@H]3CC[C@H]2C1 ZINC000253966836 KK Annotated Reactive CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000253966838 KK Annotated Reactive CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@@]4(C)[C@H]5[C@H](C[C@@H]4[C@@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@@H]1Br)[C@@H]5C ZINC000253966840 KK Annotated Reactive CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@@]4(C)[C@H]5[C@H](C[C@@H]4[C@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@@H]1Br)[C@@H]5C ZINC000253966842 KK Annotated Reactive C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@@H]1CO ZINC000253966844 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@H]1CO ZINC000253966847 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@H]1CO ZINC000253966848 KK Annotated Anodyne C=C(C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1)C(=O)O ZINC000253966874 KK Annotated Mild C=C(C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1)C(=O)O ZINC000253966949 KK Annotated Mild C=C(C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1)C(=O)O ZINC000253966953 KK Annotated Mild C=C(C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1)C(=O)O ZINC000253966958 KK Annotated Mild COc1cccc2c1C(=O)O[C@H]2O[P@](=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c(OC)cccc21 ZINC000253975165 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000253975181 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253975186 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000253975189 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253975196 KK Annotated Anodyne C=C[C@H]1C[N@+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@@H]2[C@@H](OCc1ccccc1)c1ccnc2ccccc12 ZINC000253975214 KK Annotated Mild C/C=C/[C@H](O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@@H]2C)O1 ZINC000253975289 KK Annotated Anodyne C/C=C/[C@H](O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@H]2C)O1 ZINC000253975295 KK Annotated Anodyne C/C=C/[C@H](O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@@H](C)O)O3)CC[C@H]2C)O1 ZINC000253975299 KK Annotated Anodyne C/C=C/[C@H](O)C[C@@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]2O[C@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000253975305 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000253975387 KK Annotated Anodyne CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000253975480 KK Annotated Bother investigational COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000253975512 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](N)[C@H](O)[C@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000253975515 KK Annotated Mild COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@@H]3C[C@H](N)[C@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000253975518 KK Annotated Mild CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000253977196 KK Annotated Anodyne C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@H]8O[C@]9(C)C[C@H](C)C[C@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253977493 KK Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253977498 KK Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253977503 KK Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253977509 KK Annotated Reactive O=C(CCCCCNC(=O)c1ccccc1)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000253977835 KK Annotated Clean C=C(CO)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1 ZINC000253978754 KK Annotated Mild C=C(CO)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000253978760 KK Annotated Mild C=C(CO)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1 ZINC000253978763 KK Annotated Mild C=C(CO)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1 ZINC000253978766 KK Annotated Mild Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3cc(C)ccc3F)c2)cc1 ZINC000253978788 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3cc(C)ccc3F)c2)cc1 ZINC000253978789 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3cc(C)ccc3F)c2)cc1 ZINC000253978790 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000253979163 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000253979196 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccc(-c5ccco5)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@H]1c1ccc(-c2ccco2)cc1 ZINC000253979198 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccc(-c5ccco5)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000253979201 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@H]1c1ccc(-c2ccco2)cc1 ZINC000253979203 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000253979218 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000253979220 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000253979223 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12 ZINC000253979297 KK Annotated Mild COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(OC)c6c(c(CC=C(C)C)c5O[C@]431)O[C@@](C)(CCC=C(C)C)C=C6)C2=O ZINC000253979317 KK Annotated Mild in-vitro C=C1[C@H]([C@@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000253979455 KK Annotated Mild C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C ZINC000253979463 KK Annotated Mild C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C ZINC000253979471 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccc(Br)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@H]1c1ccc(Br)cc1 ZINC000253979521 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000253979528 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(Br)cc1 ZINC000253979569 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000253981602 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCC[C@H](C)C4)c4cc(OC)c(OC)c(OC)c4)c(OC)cc(OC)c32)cc1 ZINC000253981666 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCC[C@H](C)C2)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000253981671 KK Annotated Anodyne CCc1cc(C(=O)N=Nc2c(O)[nH]c3c(Br)cc(Br)cc23)c2ccccc2n1 ZINC000253982862 KK Annotated Clean aggregator COC[C@H]1[C@@H](C)C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(OC)cc5)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000253982920 KK Annotated Anodyne CCOc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O ZINC000253983053 KK Annotated Reactive C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2[C@@H]1c1cccc(Br)c1 ZINC000253986815 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4cccc(Br)c4)[C@H](C)CC[C@@H]3C(=O)N2[C@H]1c1cccc(N2CCOCC2)c1 ZINC000253986821 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3cccc(Br)c3)C(=O)N2[C@H]1c1cccc(N2CCOCC2)c1 ZINC000253986826 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3cccc(N4CCOCC4)c3)C(=O)N2[C@H]1c1cccc(Br)c1 ZINC000253986831 KK Annotated Anodyne COc1cc(OC)c([C@H](CCN2CCC[C@H](C)C2)c2ccc(N(C)C)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)CC(=O)O2 ZINC000253986980 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@H]4C(C)(C)[C@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@]35CC[C@@]21C)C(C)C ZINC000253987048 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]2[C@]3(C)CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@]35CC[C@@]21C)C(C)C ZINC000253987049 KK Annotated Mild CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc12 ZINC000253987372 KK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc12 ZINC000253987378 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253987381 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253987386 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253987388 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000253987392 KK Annotated Anodyne CCCCCCC#Cc1cc(OC)c(OC)cc1[C@H](N1C[C@@H](C)c2ccccc21)N1C[C@H](C)c2ccccc21 ZINC000253989071 KK Annotated Mild CN(C)S(=O)(=O)NC[C@@H]1CC[C@@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 ZINC000253991712 KK Annotated Anodyne C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@@H]%11[C@H]7%10)[C@H]%12[C@H]9%16)c48 ZINC000253991782 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@@H]%11[C@H]7%10)[C@@H]%12[C@@H]9%16)c48 ZINC000253991783 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c2c2c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c=6c6c-5c5c%20c%21c(c-2c(c%14%13)c2c%15c%18c(c%212)c2c%20c6c%17c%192)[C@@]53C1)[C@@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000253991784 KK Annotated Bother Cc1ccc([C@H]2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)[C@@H](c3ccc(OCCCC(=O)N(CCCN)CCCCNCCCN)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000253991791 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Sc2nc3ccccc3o2)[C@@H]1c1ccccc1 ZINC000253992205 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Sc2nc3ccccc3o2)[C@H]1c1ccccc1 ZINC000253992209 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Sc2nc3ccccc3o2)[C@H]1c1ccccc1 ZINC000253992211 KK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3[C@@H]2S[C@H](/C=C/c2ccccc2)N3NC(=O)c2c(C)csc2NC(=O)c2ccccc2)cc1 ZINC000253992301 KK Annotated Anodyne COc1ccc([C@@H]2Nc3ccccc3N=C3[C@H]2S[C@H](/C=C/c2ccccc2)N3NC(=O)c2c(C)csc2NC(=O)c2ccccc2)cc1 ZINC000253992304 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OCC)CC2)C(=O)OC12CCN([C@@H]1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000253992324 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OCC)CC2)C(=O)OC12CCN([C@H]1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000253992325 KK Annotated Anodyne COC[C@H]1[C@@H](C)C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000253993092 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@H]4O)C3=O ZINC000253993295 KK Annotated Mild in-vitro CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@H]4O)C3=O ZINC000253993298 KK Annotated Mild in-vitro CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@H]4O)C3=O ZINC000253993300 KK Annotated Mild in-vitro CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12C(=C[C@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@H]4O)C3=O ZINC000253993304 KK Annotated Mild in-vitro CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)Cc4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c([C@H](C)OCc1cccc(I)c1)c4C)c(C)c3CCC(=O)OC ZINC000253994540 KK Annotated Bother CCC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@@](NC(=O)c3ccc(NC(=O)CC)cc3)(C(=O)O)[C@@H]2c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 ZINC000253994627 KK Annotated Anodyne CC1=NN(c2ccc(C)cc2C)C(=O)[C@H]1[C@H](c1ccccc1O)[C@H]1C(=O)N(c2ccc(C)cc2C)N=C1C ZINC000253994757 KK Annotated Anodyne C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCC(N)=O)(c3ccccc3F)CC2)cc1)C(F)(F)F ZINC000253994959 KK Annotated Anodyne ON=C1[C@H]2[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@H]1[C@@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253994966 KK Annotated Mild ON=C1[C@@H]2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)[C@@H]1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000253994974 KK Annotated Mild ON=C1C2[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)C1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000253994979 KK Annotated Mild ON=C1[C@H]2[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@H]1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000253994984 KK Annotated Mild C/C=C1/C[C@@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@@H]1N3)c1[nH]c3ccccc3c1C[C@H](NC)[C@H]2C(=O)OC ZINC000253995121 KK Annotated Anodyne C/C=C1/C[C@@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@H]1N3)c1[nH]c3ccccc3c1C[C@@H](NC)[C@H]2C(=O)OC ZINC000253995126 KK Annotated Anodyne C/C=C1/C[C@@H]2[C@@H]1C[C@H](c1cc3c(cc1OC)[C@@H]1CCN4C[C@H]5C[C@H](CC)[C@H]4[C@@](C(=O)OC)(C5)[C@H]1N3)c1[nH]c3ccccc3c1C[C@H](NC)[C@H]2C(=O)OC ZINC000253995132 KK Annotated Anodyne COC(=O)[C@@H](CC[S@](C)=O)NC(=O)c1ccc(-c2c3ccc(n3)c(-c3cccc(OC)c3)c3ccc([nH]3)c(-c3cccc(OC)c3)c3ccc(n3)c(-c3cccc(OC)c3)c3ccc2[nH]3)cc1 ZINC000253995153 KK Annotated Bother COC(=O)[C@H](CC[S@@](C)=O)NC(=O)c1ccc(-c2c3ccc(n3)c(-c3cccc(OC)c3)c3ccc([nH]3)c(-c3cccc(OC)c3)c3ccc(n3)c(-c3cccc(OC)c3)c3ccc2[nH]3)cc1 ZINC000253995164 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@@]12C(=O)Nc1ccccc12 ZINC000253995362 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000253995364 KK Annotated Anodyne C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@@H]54)[C@H]69 ZINC000253995366 KK Annotated Mild CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC(C)=O)[C@H]1COC(C)=O ZINC000253995368 KK Annotated Anodyne C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@@H]54)[C@@H]69 ZINC000253995369 KK Annotated Mild CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC(C)=O)[C@H]1COC(C)=O ZINC000253995370 KK Annotated Anodyne C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@@H]54)[C@@H]69 ZINC000253995371 KK Annotated Mild CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC(C)=O)[C@@H]1COC(C)=O ZINC000253995372 KK Annotated Anodyne CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OCC2=CC=CC[C@H](O)C(C)=C[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](O)[C@H](O)[C@@H]3O)C(C)=CC(C)=CC[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C ZINC000253995373 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253995379 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253995380 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253995381 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000253995383 KK Annotated Anodyne C=C1[C@H](O)[C@@H]2O[C@@]3(CC[C@@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C)CC[C@H](/C=C/[C@H](C)[C@@H]1CC(C)=C[C@]2(O[C@H](C[C@](C)(O)C(=O)O)CC[C@@H]2O)O1)O3 ZINC000253996112 KK Annotated Mild in-man endogenous C=C1[C@H](O)[C@@H]2O[C@@]3(CC[C@@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@@H]1C)CC[C@H](/C=C/[C@H](C)[C@@H]1CC(C)=C[C@]2(O[C@H](C[C@](C)(O)C(=O)O)CC[C@@H]2O)O1)O3 ZINC000253996116 KK Annotated Mild in-man endogenous C[C@](O)(c1ccc(C(=O)N(C2CC2)[C@@H]2CC[C@@](CCC(N)=O)(c3ccc(F)cc3)CC2)cc1)C(F)(F)F ZINC000253996334 KK Annotated Anodyne C[C@]12C[N+](C)(C)C[C@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@@H]5[C@@]35C=%23C[C@]%215[C@]%1914)[C@H](C%17=C8[C@]1(C[N+](C)(C)C[C@@]%16%131)[C@@H]96)[C@H]72 ZINC000253996339 KK Annotated Bother C[C@]12C[N+](C)(C)C[C@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@@H]5[C@@]35C=%23C[C@]%215[C@]%1914)[C@H](C%17=C8[C@]1(C[N+](C)(C)C[C@@]%16%131)[C@H]96)[C@H]72 ZINC000253996348 KK Annotated Bother C[C@]12C[N+](C)(C)C[C@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@@H]5[C@@]35C=%23C[C@]%215[C@]%1914)[C@H](C%17=C8[C@]1(C[N+](C)(C)C[C@@]%16%131)[C@@H]96)[C@@H]72 ZINC000253996356 KK Annotated Bother C[C@]12C[N+](C)(C)C[C@]34[C@@H]5c6cc7c8c9c6-c6c5c5c%10c%11c6[C@@H]6c%12c%13c%14c%15c%16c%17c%18c(c%19c%20c%21c%22c%23c%24c(c%10c%10c(c%12%11)c%14c%11c%10c%24c%22c%10c%20c%18c%15c%10%11)[C@@H]5[C@@]35C=%23C[C@]%215[C@]%1914)[C@H](C%17=C8[C@]1(C[N+](C)(C)C[C@@]%16%131)[C@H]96)[C@@H]72 ZINC000253996365 KK Annotated Bother Cn1cnnc1SCc1ccc(C(=O)N=Nc2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000254003359 KK Annotated Clean C[C@H](C[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(C)(C)O)C1=C2C[C@H](OC(=O)c3ccc(Cl)cc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000254004825 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000254005149 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@H]2O)c1 ZINC000254005181 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000254005196 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@H]2O)c1 ZINC000254005206 KK Annotated Mild CCCC[C@H]1C(=O)N(C[C@@H]2CC[C@@H](OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000254005246 KK Annotated Anodyne CCCC[C@@H]1C(=O)N(C[C@@H]2CC[C@@H](OC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000254005262 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000254005389 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000254005404 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000254005416 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000254005426 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@H]1Oc1ccc(C)cc1)=NO[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254005586 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@H]1Oc1ccc(C)cc1)=NO[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254005587 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254005588 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254005590 KK Annotated Mild CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254009881 KK Annotated Mild CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000254009896 KK Annotated Mild CC[C@@]1([C@@H]2O[C@H]([C@@H]3O[C@](O)(CC)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000254010522 KK Annotated Anodyne CC[C@@]1([C@@H]2O[C@H]([C@@H]3O[C@](O)(CC)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@@H]([C@@H](C)[C@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000254010527 KK Annotated Anodyne CC[C@@]1([C@@H]2O[C@H]([C@@H]3O[C@](O)(CC)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000254010533 KK Annotated Anodyne CC[C@@]1([C@@H]2O[C@H]([C@@H]3O[C@](O)(CC)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000254010539 KK Annotated Anodyne C[C@@H]1C=CCC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)C=CCC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000254010565 KK Annotated Anodyne C[C@@H]1C=CCC(=O)N[C@@H](c2cccc(Br)c2)[C@H](C)C=CCC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000254010569 KK Annotated Anodyne C[C@H]1C=CCC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)C=CCC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000254010575 KK Annotated Anodyne C[C@H]1C=CCC(=O)N[C@@H](c2cccc(Br)c2)[C@H](C)C=CCC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000254010579 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C ZINC000254010608 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@H](C[C@H](C)O)O1)[C@@H]2C ZINC000254010620 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@]1(CC[C@@H](C)[C@H](C[C@H](C)O)O1)[C@@H]2C ZINC000254010632 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C ZINC000254010645 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4cccc(-c5ccc(C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000254010660 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254010730 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254010741 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254010757 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254010769 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CON=C(C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254013329 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CON=C(C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254013337 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254013345 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254013355 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOC[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000254013541 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOC[C@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000254013545 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOC[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000254013550 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOC[C@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000254013556 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccc(Br)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000254014379 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000254014386 KK Annotated Anodyne C=CC[C@@H]1C=C[C@H](ON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@H](CO)O1 ZINC000254014491 KK Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@H]2Oc2ccc(C)cc2)[C@H](CO)O1 ZINC000254014501 KK Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000254014508 KK Annotated Mild C=CC[C@@H]1C=C[C@H](ON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000254014515 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@H](CCC[C@@H]3O[C@@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000254014538 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@H](CCC[C@@H]3O[C@H](C(=O)OC(C)C)CC[C@H]3C)O2)c(C)c1 ZINC000254014546 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@H](CCC[C@@H]3O[C@H](C(=O)OC(C)C)CC[C@@H]3C)O2)c(C)c1 ZINC000254014551 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@H](CCC[C@@H]3O[C@@H](C(=O)OC(C)C)CC[C@H]3C)O2)c(C)c1 ZINC000254014557 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@@H]2O[C@H](c3ccccc3)C=C[C@H]2Oc2ccc(OC)cc2)cc1 ZINC000254015137 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@@H]2O[C@@H](c3ccccc3)C=C[C@H]2Oc2ccc(OC)cc2)cc1 ZINC000254015145 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@@H]2O[C@@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000254015150 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NOC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000254015155 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1C[C@@H](C)C[C@H](C)C1)OC)[C@@H]3OC ZINC000254015302 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1C[C@@H](C)C[C@@H](C)C1)OC)[C@@H]3OC ZINC000254015308 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)OC)[C@@H]3OC ZINC000254015315 KK Annotated Mild CC(C)CCC(=O)N(CCCCN=c1c2ccccc2nc2n1CCCCCC2)CCCN=c1c2ccccc2nc2n1CCCCCC2 ZINC000254015343 KK Annotated Anodyne O=C1c2ccccc2[C@](OC[C@@H]2CC[C@@H](CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000254016478 KK Annotated Bother O=C1c2ccccc2[C@@](OC[C@@H]2CC[C@@H](CO)CC2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000254016483 KK Annotated Bother COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NO[C@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254017908 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254017921 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254017933 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254017943 KK Annotated Mild CC(C)CC(=O)N(CCCCN=c1c2ccccc2nc2n1CCCCCC2)CCCN=c1c2ccccc2nc2n1CCCCCC2 ZINC000254018065 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000254019091 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000254019099 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@H]2Oc2ccc(C)cc2)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000254019107 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000254019114 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOC[C@H](O)COCc2ccco2)cc1 ZINC000254019160 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NOC[C@H](O)COCc2ccco2)cc1 ZINC000254019165 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOC[C@@H](O)COCc2ccco2)cc1 ZINC000254019169 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2COC(=O)CCC(C)=NOC[C@@H](O)COCc2ccco2)cc1 ZINC000254019174 KK Annotated Mild COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000254019251 KK Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N(CCCC(F)(F)F)[C@@H]1CC[C@@H]([C@H](N)Cc2cc(F)ccc2F)CC1 ZINC000254019468 KK Annotated Anodyne CO[C@H]1CCCC[C@@H](c2ccccc2)OC(=O)[C@@H](C)[C@@]2(O)O[C@@H]([C@@H](C)C=C[C@H]1OC(=O)CCC1=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C1)[C@@H](C)[C@H](O)[C@H]2OC ZINC000254025750 KK Annotated Anodyne Cc1noc(C)c1CNC(=O)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000254025965 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254042089 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254042096 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254042103 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254042111 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000254042499 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@H](Cc3ccccc3)C(=O)N3[C@H](C[C@@H](C)[C@@H]3c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000254042506 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@H](Cc3ccccc3)C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@@H]3[C@H](Cc3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000254042512 KK Annotated Anodyne C[C@H]1C[C@@H]2[C@@H](Cc3ccccc3)C(=O)N3[C@H](c4ccccc4)[C@H](C)C[C@@H]3[C@H](Cc3ccccc3)C(=O)N2[C@H]1c1ccccc1 ZINC000254042516 KK Annotated Anodyne COC(=O)C/C=C\[C@H](C)[C@H](C=NOC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000254043069 KK Annotated Mild COC(=O)C/C=C/[C@H](C)[C@H](C=NOC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000254043075 KK Annotated Mild COC(=O)C/C=C/[C@H](C)[C@H](C=NOC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000254043082 KK Annotated Mild COC(=O)C/C=C\[C@H](C)[C@H](C=NOC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000254043090 KK Annotated Mild C/C=C1/C[N@@+]2(C)CCc3c([nH]c4ccc(O)c(C5=C[C@@]6(CC)CCCN7CCc8c(n5c5ccccc85)[C@H]76)c34)[C@H]2C[C@@H]1CCO ZINC000254043132 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@@H]%11[C@H]7%10)[C@H]%12[C@H]9%16)c48 ZINC000254043278 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@@H]%11[C@H]7%10)[C@H]%12[C@@H]9%16)c48 ZINC000254043287 KK Annotated Bother C[N+]12CCN(CC1)[C@]13c4c5c6c7c8c9c%10c%11c%12c%13c9c9c(c1c1c%14c9c-%13c9c%13c%15c%16c%17c%18c%19c%20c-%17c(c-%11c%11c%20c%17c(c-6c6c-5c5c%20c%21c(c-1c(c%14%13)c1c%15c%18c(c%211)c1c%20c6c%17c%191)[C@@]532)[C@@H]%11[C@H]7%10)[C@@H]%12[C@H]9%16)c48 ZINC000254043295 KK Annotated Bother CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H]([C@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000254043367 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000254043370 KK Annotated Anodyne COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000254044229 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000254044233 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000254044236 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000254044242 KK Annotated Mild COCOc1c2c(c(OCOC)c3c(OCOC)cccc13)C(=NNS(=O)(=O)c1ccc(C)cc1)C1=C2CCCC1 ZINC000254044252 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000254044369 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000254044376 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000254044382 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000254044390 KK Annotated Mild COc1ccc(-c2c([C@@H]3[C@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000254044517 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CCC[C@]4(C)C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000254044523 KK Annotated Anodyne CSc1ccc(Oc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@H](COCc2ccccc2)O3)cc1C ZINC000254044908 KK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000254045070 KK Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@H](COC(=O)CCCC(=O)OC[C@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000254045506 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254046427 KK Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2cccc(Br)c2[C@]12O[C@@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000254046450 KK Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2cccc(Br)c2[C@]12O[C@H](COc1ccccc1)CC1=CCC[C@H]12 ZINC000254046457 KK Annotated Anodyne Cc1nn(C(=O)c2c(-c3ccccc3)noc2C)c(C)c1N=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000254046559 KK Annotated Clean C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)OC)[C@@H]3OC ZINC000254046616 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254046624 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254046628 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254046633 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@H](c2ccc(C)cc2)N1C(=O)c1ccc(C=NO[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000254046636 KK Annotated Mild COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@H]2C[C@H]3C=CCO[P@@](=O)(O3)O2)cc1 ZINC000254047106 KK Annotated Reactive COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 ZINC000254047109 KK Annotated Reactive COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 ZINC000254047111 KK Annotated Reactive COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@@H]2C[C@H]3C=CCO[P@@](=O)(O3)O2)cc1 ZINC000254047115 KK Annotated Reactive CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)C%12OCCO%12)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@H]4C[C@]3(C)O[C@@H]12 ZINC000254047307 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)C%12OCCO%12)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@H]4C[C@]3(C)O[C@H]12 ZINC000254047317 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)C%12OCCO%12)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@H]12 ZINC000254047329 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)C%12OCCO%12)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@@H]12 ZINC000254047339 KK Annotated Anodyne C=C(C[C@]1(C(=O)OC)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F)c1ccccc1 ZINC000254047384 KK Annotated Mild C=C(C[C@]1(C(=O)OC)C=C[C@@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F)c1ccccc1 ZINC000254047394 KK Annotated Mild CC(C)c1ccc(Oc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@H](COCc2ccccc2)O3)cc1 ZINC000254047395 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000254048445 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000254048452 KK Annotated Bother COC(=O)[C@H](CCCCNC(=O)c1cccc(N=C2C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)c1)NC(C)=O ZINC000254051218 KK Annotated Mild CCCCCCCCC(=O)OC[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000254051233 KK Annotated Mild CCCCC(=O)N(CCCCN=c1c2ccccc2nc2n1CCCCCC2)CCCN=c1c2ccccc2nc2n1CCCCCC2 ZINC000254051289 KK Annotated Anodyne COc1ccc(CN2C(=O)C(=Nc3ccc(C(=O)O)cc3)c3cc(Br)cc(Br)c32)cc1 ZINC000254051322 KK Annotated Mild CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2C=C[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@H]2C(=O)O1 ZINC000254071099 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2C=C[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@@H]2O[C@@H]2C(=O)O1 ZINC000254071100 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2C=C[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@@H]2C(=O)O1 ZINC000254071101 KK Annotated Anodyne C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@H]1O[C@]2(CCCCO2)CC[C@H]1C ZINC000254071148 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000254071151 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C ZINC000254071153 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@H](C)[C@@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@H]1O[C@]2(CCCCO2)CC[C@@H]1C ZINC000254071156 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=Cc2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000254071186 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=Cc2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@@H]3c3ccc(C)cc3)cc2)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000254071190 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=Cc2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000254071194 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=Cc2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000254071197 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000254071228 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000254071230 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@H](C)c1cn([C@@H](CO)Cc2ccccc2)nn1 ZINC000254071232 KK Annotated Mild CC(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=NO[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000254071235 KK Annotated Mild CO[C@@H]1C=C[C@H](C)[C@H](O)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C1 ZINC000254074007 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](O)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000254074010 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](O)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C1 ZINC000254074012 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](O)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@@H](OC)C1 ZINC000254074015 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)Nc2ccccc2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000254074099 KK Annotated Anodyne CN1CCc2cc3c4cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc(O)c(c2O4)O3)CCN1C ZINC000254074622 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000254074688 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254074690 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OC)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254074693 KK Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC(C)(C)O[C@H]3O[C@@H]2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 ZINC000254075175 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H]2[C@H](C(c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)O[C@H]3OC(C)(C)O[C@H]32)cc1 ZINC000254075179 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H]2[C@H](C(c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)O[C@@H]3OC(C)(C)O[C@@H]23)cc1 ZINC000254075183 KK Annotated Mild COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000254075219 KK Annotated Reactive COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000254075220 KK Annotated Reactive CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254075274 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254075276 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254075279 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254075283 KK Annotated Anodyne COc1cc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@@H]2[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000254075312 KK Annotated Anodyne COc1cc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@@H]2[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000254075317 KK Annotated Anodyne COc1cc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@H]2[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000254075322 KK Annotated Anodyne COc1cc(C(=O)[C@@H]2C(=O)c3ccccc3[C@@H]2[C@]2(O)c3ccccc3C[C@H]2[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000254075326 KK Annotated Anodyne c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=N[C@]34CCCC[C@H]24)Nc2ccccc2N=5)cc1 ZINC000254075378 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254075453 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254075457 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C1 ZINC000254075875 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@@H](OC)C1 ZINC000254075877 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000254075882 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C1 ZINC000254075885 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCc2ccccc2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000254075998 KK Annotated Anodyne Nc1ccc(Oc2ccc(C34CC5C[C@H]6[C@H]3CC3C[C@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)cc5)cc4)C3)cc2)cc1 ZINC000254076437 KK Annotated Clean CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O ZINC000254076443 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@@H]1O ZINC000254076454 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@H]1O ZINC000254076461 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl)N=O)[C@H](O)[C@H]1O ZINC000254076465 KK Annotated Reactive COc1ccc(COCC[C@H](C)O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 ZINC000254076699 KK Annotated Reactive COc1ccc(COCC[C@H](C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 ZINC000254076700 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)O[C@@]1(C[C@H]2c2ccc(Cl)cc2)C[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 ZINC000254077103 KK Annotated Mild COC1=C(C(=O)OC(C)(C)C)[C@]23CCCC[C@]2(C(C(=O)OC(C)(C)C)=C(OC)[C@H]3C(=O)OC(C)(C)C)[C@@H]1C(=O)OC(C)(C)C ZINC000254077160 KK Annotated Anodyne C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000254077165 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000254077166 KK Annotated Reactive CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCCN2CCCCC2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000254077215 KK Annotated Anodyne CN1C[C@H](c2ccccc2)[C@@](O)([C@]2(c3ccccc3)CN(C)C[C@@H](c3ccccc3)C2=O)[C@H](c2ccccc2)C1 ZINC000254077299 KK Annotated Anodyne CN1C[C@H](c2ccccc2)[C@@](O)([C@]2(c3ccccc3)CN(C)C[C@H](c3ccccc3)C2=O)[C@H](c2ccccc2)C1 ZINC000254077304 KK Annotated Anodyne CC(=O)N1[C@H](CCc2ccccc2)C[C@](C)(C=O)[C@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 ZINC000254077820 KK Annotated Reactive CC(=O)N1[C@@H](Cc2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)[C@@](C)(C=O)C[C@H]1CCc1ccccc1 ZINC000254077822 KK Annotated Reactive C=CCN(C(=O)OC(C)(C)C)C1=C[C@H]2C(C)=CN(S(=O)(=O)c3ccccc3)[C@@H]2C(OCc2ccccc2)=C1 ZINC000254077836 KK Annotated Mild C=CCN(C(=O)OC(C)(C)C)C1=C[C@H]2C(C)=CN(S(=O)(=O)c3ccccc3)[C@H]2C(OCc2ccccc2)=C1 ZINC000254077837 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000254078406 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000254078409 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1-c1ccccc1 ZINC000254078415 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)cc2)c(C#N)c(=S)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1-c1ccccc1 ZINC000254078421 KK Annotated Mild CC[C@H](C)C1=C(OC(C)=O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000254078454 KK Annotated Mild CN(C)c1ccc(C2N([C@H](C#N)c3ccc(N(C)C)cc3)CCCN2[C@H](C#N)c2ccc(N(C)C)cc2)cc1 ZINC000254078527 KK Annotated Mild C=C1[C@@H](O)[C@@H]2O[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000254078629 KK Annotated Mild C=C1[C@@H](O)[C@@H]2O[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000254078632 KK Annotated Mild C=C1[C@@H](O)[C@H]2O[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000254078634 KK Annotated Mild C=C1[C@@H](O)[C@H]2O[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@@H]1C ZINC000254078636 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)OC)S1(=O)=O ZINC000254078701 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Br)cc2)[C@H](C(=O)OC)S1(=O)=O ZINC000254078706 KK Annotated Anodyne CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000254079166 KK Annotated Mild CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000254079168 KK Annotated Mild CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000254079172 KK Annotated Mild CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000254079176 KK Annotated Mild O=C1C[C@]2(CC[C@@](O)(c3ccc4ccccc4c3)[C@H](C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 ZINC000254079386 KK Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@H](O)[C@@H](O)C#CC(=O)O ZINC000254080394 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000254080398 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@H](O)C#CC(=O)O ZINC000254080403 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000254080511 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000254080519 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000254080528 KK Annotated Mild CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000254081034 KK Annotated Reactive CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCCOCCOCCOC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000254081045 KK Annotated Anodyne CC[C@H](C)C1=C(OC(C)=O)[N@+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1OC(C)=O ZINC000254081086 KK Annotated Mild COc1ccc2c(c1)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2c3ccc(OC)cc3C(=O)[C@H]2[C@H]1c1ccccc1 ZINC000254081167 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@](OC)(OC(C)=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](OC(C)=O)[C@H](C)O2)c1C3=O ZINC000254081225 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@](OC)(OC(C)=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](OC(C)=O)[C@@H](C)O2)c1C3=O ZINC000254081229 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@](OC)(OC(C)=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](OC(C)=O)[C@H](C)O2)c1C3=O ZINC000254081234 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)[C@](OC)(OC(C)=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)c1C3=O ZINC000254081236 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000254081242 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C(=O)O ZINC000254081245 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000254081246 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O ZINC000254081249 KK Annotated Anodyne CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3C=C(C)C=C[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@@H](C)NC(C)=O)OC(=O)C=CC=C(C)C=C[C@]3(C)[C@@H]2C1 ZINC000254081846 KK Annotated Anodyne CCC1=C[C@@H]2CN3Cn4c(c(COCc5c6n(c7ccccc57)CN5C[C@@H]7C=C(CC)[C@@H]5[C@]6(C(=O)OC)C7)c5ccccc54)[C@](C(=O)OC)(C2)[C@H]13 ZINC000254081853 KK Annotated Anodyne CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@H](C)CC)C(=O)N1O ZINC000254081921 KK Annotated Mild CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000254081924 KK Annotated Mild CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1O ZINC000254081926 KK Annotated Mild CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000254081929 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCCC=C[C@@]3(C)C=C1C(=O)O ZINC000254081966 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3[C@@H](C[C@@H](O)[C@]4(C)[C@@H]5[C@H](C[C@H]34)O[C@@]3(CCC(C)(C)O3)[C@H]5C)[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000254088484 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254088540 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254088543 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254088548 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254088551 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000254088554 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254088557 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000254088559 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000254088561 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@H]1c1ccco1 ZINC000254088563 KK Annotated Anodyne C[C@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)C[C@H](CC(=O)O)C(=O)O ZINC000254088611 KK Annotated Anodyne C[C@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)C[C@H](CC(=O)O)C(=O)O ZINC000254088613 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254088678 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(Cl)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254091642 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254091660 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccccc3)nc3ccc(CN4CCCCC4)cc32)CC1 ZINC000254091672 KK Annotated Anodyne CC(C)C#C[C@H](c1ccc(C2(C(F)(F)F)N=N2)cc1)N1CC[C@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000254091721 KK Annotated Mild CC(C)C#C[C@H](c1ccc(C2(C(F)(F)F)N=N2)cc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000254091723 KK Annotated Mild CC[C@H]1C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CCCO ZINC000254091735 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)c(Cl)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254091744 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](C#CCCCCO)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254091841 KK Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cc(F)cc(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254092345 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3ON(Cc4ccc(CC(N)=O)cc4)[C@H](c4c5ccccc5c(C)c5ccccc45)[C@H]3C2=O)cc1 ZINC000254092353 KK Annotated Bother COc1ccc(N2C(=O)[C@H]3[C@@H](c4c5ccccc5c(C)c5ccccc45)N(Cc4ccc(CC(N)=O)cc4)O[C@H]3C2=O)cc1 ZINC000254092356 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3ON(Cc4ccc(CC(N)=O)cc4)[C@@H](c4c5ccccc5c(C)c5ccccc45)[C@H]3C2=O)cc1 ZINC000254092360 KK Annotated Bother CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cc(F)cc(Cl)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254092469 KK Annotated Anodyne COC(=O)C[C@@H]1CCN([C@H](C#CC(C)C)c2ccc(-n3cnc(C)c3)c(OC)c2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254092514 KK Annotated Mild COC(=O)C[C@@H]1CCN([C@@H](C#CC(C)C)c2ccc(-n3cnc(C)c3)c(OC)c2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254092516 KK Annotated Mild COC(=O)C[C@@H]1CCN([C@H](C#CC(C)C)c2ccc(-n3cnc(C)c3)c(OC)c2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254092518 KK Annotated Mild CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)C=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CCC=CC=C[C@H](CC)CC[C@H](O2)[C@H]1CCCO ZINC000254092534 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)c(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254092539 KK Annotated Anodyne CC[C@H]1C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@H](C)O ZINC000254092542 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)C=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CCC=CC=C[C@H](CC)CC[C@H](O2)[C@H]1CC[C@H](C)O ZINC000254092553 KK Annotated Anodyne COC(=O)C[C@@H]1CCN([C@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254093039 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@H]2[C@H](CC[C@H]3CN(CCCCCCCCC)N=N3)[C@H]3O[C@@H](c4ccccc4)OC[C@H]3O[C@H]2OC)N=N1 ZINC000254093059 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@H]2[C@H](CC[C@@H]3CN(CCCCCCCCC)N=N3)[C@H]3O[C@@H](c4ccccc4)OC[C@H]3O[C@H]2OC)N=N1 ZINC000254093061 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@@H]2[C@H](OC)O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H]2CC[C@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000254093063 KK Annotated Mild CCCCCCCCC[C@@H]1C=C(CC[C@@H]2[C@H](OC)O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@@H]2CC[C@@H]2CN(CCCCCCCCC)N=N2)N=N1 ZINC000254093065 KK Annotated Mild COc1cc([C@H](C#CC(C)C)N2CC[C@H](CC(=O)O)C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC000254093076 KK Annotated Mild COc1cc([C@H](C#CC(C)C)N2CC[C@@H](CC(=O)O)C[C@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC000254093078 KK Annotated Mild CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O2 ZINC000254093094 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254093104 KK Annotated Mild CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(Oc4ccccn4)cc32)CC1 ZINC000254093127 KK Annotated Anodyne CCCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O2 ZINC000254093768 KK Annotated Anodyne O=C(c1ccc(Cl)cc1Cl)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cc4ccc(N5C(=O)[C@H]6ON(c7ccccc7)[C@@H](C(=O)c7ccc(Cl)cc7Cl)[C@H]6C5=O)cc4)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000254093796 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C(F)(F)F)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254093803 KK Annotated Mild O=C(O)C[C@@H]1CCN([C@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000254093886 KK Annotated Mild CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000254093910 KK Annotated Anodyne CC1(C)OC[C@H]([C@@H]2OC(C)(C)O[C@@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000254093914 KK Annotated Anodyne CC[C@H]1C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC ZINC000254093928 KK Annotated Anodyne CON=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000254093942 KK Annotated Mild CCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O2 ZINC000254094458 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254094473 KK Annotated Anodyne CO[C@@H]1[C@H](C)[C@](O)([C@H](C)C(=O)O)O[C@H]([C@H](C)[C@@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@@H]5O[C@@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@@H]2C)[C@@H]1C ZINC000254094487 KK Annotated Anodyne CO[C@@H]1[C@H](C)[C@](O)([C@H](C)C(=O)O)O[C@H]([C@H](C)[C@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@@H]5O[C@@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@@H]2C)[C@@H]1C ZINC000254094490 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCCCc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)O ZINC000254094587 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCCCc1ccc(C2(C(F)(F)F)N=N2)cc1)C(=O)O ZINC000254094592 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@H](O)CC)O3)O[C@H]1CC[C@@H](CC)C=CC=CCC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)C=CC(=O)O2 ZINC000254094596 KK Annotated Anodyne CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000254094747 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H](c2ccc(Cl)c(Cl)c2)CC=C(C(=O)O)[C@H]1c1cccc(Br)c1 ZINC000254095470 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)c(Cl)c2)CC=C(C(=O)O)[C@H]1c1cccc(Br)c1 ZINC000254095480 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)C=C[C@H](C)C[C@H]1C ZINC000254095675 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)C=C[C@H](C)C[C@H]1C ZINC000254095677 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@H]2c2cccc(Cl)c2)cc1 ZINC000254095679 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@H]2c2cccc(Cl)c2)cc1 ZINC000254095682 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@H]2N(S(=O)(=O)c2ccccc2Cl)[C@@H](c2ccccc2)C1 ZINC000254095972 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@H]2N(S(=O)(=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000254095977 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000254095984 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000254095988 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2N[C@@H](c2ccccc2)C1 ZINC000254096148 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC000254096198 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@H](c4ccccc4)C[C@H]32)cc1 ZINC000254096201 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)O)[C@H]2c2cccc(Cl)c2)cc1 ZINC000254096451 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(Cl)c3)CC=C(C(=O)O)[C@H]2c2cccc(Cl)c2)cc1 ZINC000254096453 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@@H]32)C1 ZINC000254102467 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@H]23)C1 ZINC000254102473 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@@H]32)C1 ZINC000254102479 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@H]23)C1 ZINC000254102485 KK Annotated Reactive C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000254103465 KK Annotated Bother C[N@@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000254103473 KK Annotated Bother C[N@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000254103483 KK Annotated Bother C[N@@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000254103491 KK Annotated Bother CCCCCCCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000254103500 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254110911 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254110917 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000254110922 KK Annotated Mild CO[C@H]1C[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OCC(=CC=C[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O ZINC000254110960 KK Annotated Mild COc1ccc(N2C(=O)[C@@H]3ON([C@H](C(N)=O)c4ccccc4)[C@@H](c4cc5ccccc5c5ccccc45)[C@H]3C2=O)cc1 ZINC000254110980 KK Annotated Bother COc1ccc(N2C(=O)[C@H]3[C@@H](c4cc5ccccc5c5ccccc45)N([C@H](C(N)=O)c4ccccc4)O[C@H]3C2=O)cc1 ZINC000254110984 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3[C@@H](ON([C@H](C(N)=O)c4ccccc4)[C@H]3c3cc4ccccc4c4ccccc34)C2=O)cc1 ZINC000254110989 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3ON([C@H](C(N)=O)c4ccccc4)[C@H](c4cc5ccccc5c5ccccc45)[C@H]3C2=O)cc1 ZINC000254110993 KK Annotated Bother COC1=C[C@H]2[C@H](c3cc4ccccc4n3S(=O)(=O)c3ccccc3)C[C@H]1CN2C(=O)OCc1ccccc1 ZINC000254111108 KK Annotated Anodyne COC1=C[C@H]2[C@@H](c3cc4ccccc4n3S(=O)(=O)c3ccccc3)C[C@H]1CN2C(=O)OCc1ccccc1 ZINC000254111113 KK Annotated Anodyne CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@]1(C)Br ZINC000254112348 KK Annotated Anodyne CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)[C@@]1(C)Br ZINC000254112354 KK Annotated Anodyne CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@]1(C)Br ZINC000254112360 KK Annotated Anodyne CCOC(=O)[C@]1(Br)[C@H](c2ccccc2)NC(=O)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@]1(C)Br ZINC000254112365 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000254112479 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000254112480 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@H](c1ccccc1)[C@@H]2[C@@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2cccs2)C[C@H]1c1ccccc1 ZINC000254112481 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@H](C)[C@H](O)C1 ZINC000254113500 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@@H](C)[C@@H](O)C1 ZINC000254113502 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@@H](C)[C@H](O)C1 ZINC000254113505 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@H](C)[C@@H](O)C1 ZINC000254113510 KK Annotated Anodyne O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c([C@@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@@H](c1ccccc1)CC2=O ZINC000254113594 KK Annotated Anodyne in-vitro 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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000254114817 KK Annotated Bother in-vitro 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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000254114822 KK Annotated Bother in-vitro 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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000254114826 KK Annotated Bother in-vitro 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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000254114830 KK Annotated Bother in-vitro COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@H]2C1=O ZINC000254114866 KK Annotated Bother COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@H]3[C@@H]2C1=O ZINC000254114870 KK Annotated Bother COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CC[C@H](C(C)(C)C)C[C@@H]3[C@@H]2C1=O ZINC000254114875 KK Annotated Bother CC1(C)[C@@H]2C[C@H]1[C@H]([C@H](O)[C@@H]1c3cc(-c4ccccn4)ncc3[C@@H]3C[C@H]1C3(C)C)c1cc(-c3ccccn3)ncc12 ZINC000254114915 KK Annotated Anodyne CC1(C)[C@@H]2C[C@H]1[C@H]([C@@H](O)[C@@H]1c3cc(-c4ccccn4)ncc3[C@@H]3C[C@H]1C3(C)C)c1cc(-c3ccccn3)ncc12 ZINC000254114925 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000254119917 KK Annotated Anodyne COc1cc([C@H]2[C@H](c3ccc4ccccc4c3)[C@H](c3cc(OC)cc(=O)o3)[C@H]2c2ccc3ccccc3c2)oc(=O)c1 ZINC000254121016 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@@H]2[C@@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000254121077 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000254121080 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000254121083 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000254124419 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000254124423 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000254124428 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000254124432 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@H]4CC[C@@]32C)[C@@H]1[C@@H](CCC=C(C)C)C(=O)O ZINC000254124558 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@@]32C)[C@H]1[C@@H](CCC=C(C)C)C(=O)O ZINC000254124566 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@H]4CC[C@@]32C)[C@H]1[C@@H](CCC=C(C)C)C(=O)O ZINC000254124573 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@@]32C)[C@@H]1[C@@H](CCC=C(C)C)C(=O)O ZINC000254124578 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@@]32C)[C@@H]1[C@H](CCCC(C)C)C(=O)O ZINC000254124607 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@H]4CC[C@@]32C)[C@@H]1[C@H](CCCC(C)C)C(=O)O ZINC000254124618 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)[C@@H]1[C@H](CCCC(C)C)C(=O)O ZINC000254124624 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@@H](C)[C@H]4CC[C@@]32C)[C@@H]1[C@H](CCCC(C)C)C(=O)O ZINC000254124630 KK Annotated Anodyne COc1ccc([C@H]([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000254127619 KK Annotated Anodyne COc1ccc([C@@H]([C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000254127626 KK Annotated Anodyne COc1ccc([C@H]([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000254127636 KK Annotated Anodyne CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000254127745 KK Annotated Mild CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000254127751 KK Annotated Mild CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccc(OC)cc2)[C@@H](C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000254127758 KK Annotated Mild CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@@H](C)[C@H](OC)C1 ZINC000254127811 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@H](C)[C@H](OC)C1 ZINC000254127814 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@@H](C)[C@@H](OC)C1 ZINC000254127816 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@H](C)[C@@H](OC)C1 ZINC000254127819 KK Annotated Anodyne O=C(OC[C@@H]1O[C@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000254129145 KK Annotated Anodyne O=C(OC[C@@H]1O[C@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000254129150 KK Annotated Anodyne O=C(OC[C@@H]1O[C@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000254129155 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc([N+](=O)[O-])cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254129202 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc([N+](=O)[O-])cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254129206 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc([N+](=O)[O-])cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254129210 KK Annotated Bother CN1CCN(CCCC(=O)O[C@@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254129353 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254129357 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000254129372 KK Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000254129381 KK Annotated Clean C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@H](C)O2)c1C3=O ZINC000254129386 KK Annotated Clean Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@@H]2[C@@H](c1ccc(Cl)cc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000254129423 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@H]2[C@H](c1ccc(Cl)cc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000254129436 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000254129438 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1ccccc1)[C@H]2[C@H](c1ccc(Cl)cc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000254129445 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000254129449 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc4ccccc4c3)c2)cc1 ZINC000254129455 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@H]([C@@H](c3ccccc3)[C@@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000254130603 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@H]([C@@H](c3ccccc3)[C@@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000254130608 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@H]([C@@H](c3ccccc3)[C@@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@H]3c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000254130611 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@H]([C@@H](c3ccccc3)[C@@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000254130613 KK Annotated Anodyne COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000254130691 KK Annotated Mild COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000254130697 KK Annotated Mild COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000254130702 KK Annotated Mild COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000254130709 KK Annotated Mild Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\NC[C@@H]1CCCN3CCCC[C@H]13)/C(=C/NC[C@@H]1CCCN3CCCC[C@@H]13)C(=O)C(O)=C2C(C)C ZINC000254130714 KK Annotated Mild Cc1cc2c(cc1-c1cc3c(cc1C)C(C(C)C)=C(O)C(=O)/C3=C\NC[C@H]1CCCN3CCCC[C@@H]13)/C(=C/NC[C@@H]1CCCN3CCCC[C@H]13)C(=O)C(O)=C2C(C)C ZINC000254130721 KK Annotated Mild CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000254130868 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000254130870 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000254130871 KK Annotated Reactive CCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1O ZINC000254130914 KK Annotated Mild CCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCCCCCCCC)[C@@H]1O ZINC000254130919 KK Annotated Mild CCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCCCCCCCC)[C@H]1O ZINC000254130924 KK Annotated Mild CCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H]1O ZINC000254130930 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254131868 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(C)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254131872 KK Annotated Mild CC[S@@+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S@+](C)CC)cc3)c3ccc2[nH]3)cc1 ZINC000254131876 KK Annotated Mild CC[S@@+](C)c1ccc(-c2c3ccc(n3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc([nH]3)c(-c3ccc([S@+](C)CC)cc3)c3ccc(n3)c(-c3ccc([S@@+](C)CC)cc3)c3ccc2[nH]3)cc1 ZINC000254131884 KK Annotated Mild Cc1ccc([C@H]([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000254132122 KK Annotated Anodyne Cc1ccc([C@@H]([C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000254132124 KK Annotated Anodyne Cc1ccc([C@H]([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000254132126 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@@H]1c2c(c(O)cc3c2[C@@H](c2cc4c(cc2O)O[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)[C@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000254132138 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@@H]1c2c(c(O)cc3c2[C@@H](c2cc4c(cc2O)O[C@@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)[C@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000254132141 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@@H]1c2c(c(O)cc3c2[C@@H](c2cc4c(cc2O)O[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)[C@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000254132146 KK Annotated Anodyne O=C(c1ccc(O)cc1)[C@@H]1c2c(c(O)cc3c2[C@@H](c2cc4c(cc2O)O[C@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)[C@H](c2ccc(O)cc2)[C@@H]1c1cc(O)cc(O)c1 ZINC000254132149 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)c(CCC(=O)OCCO)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000254132233 KK Annotated Bother C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)c(CCC(=O)OCCO)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000254132238 KK Annotated Bother C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CCC[C@@H]3C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000254132993 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@@H]3CCC[C@H]3C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000254132995 KK Annotated Anodyne CCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)CCCCCCC)[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]34C)C2(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000254133018 KK Annotated Mild COc1ccc([C@@H]2[C@@H]3CSCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000254133036 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3CSCN3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000254133040 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000254133045 KK Annotated Anodyne CN1CCc2cc(O)c3cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc4c(c2O3)OCO4)CCN1C ZINC000254133049 KK Annotated Anodyne CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@H](CC[C@@H]21)[C@@](O)(CC[C@@]1(O)C(=O)[C@]24C[C@@H]1CC[C@H]2[C@]1(C)CCC[C@](C)(COC(C)=O)[C@H]1C[C@H]4O)C3=O ZINC000254133275 KK Annotated Anodyne CN(C)/C=C/C(=C\C=[N+](C)C)c1c2ccc(n2)c(C(/C=C/N(C)C)=C/C=[N+](C)C)c2ccc([nH]2)c(C(/C=C/N(C)C)=C/C=[N+](C)C)c2ccc(n2)c(C(/C=C/N(C)C)=C/C=[N+](C)C)c2ccc1[nH]2 ZINC000254133284 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCC[C@@H]3C)cc([C@@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000254133757 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCC[C@@H]3C)cc([C@H](C)[C@@H](C)CCCCC)cc1OC2(C)C ZINC000254133758 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCC[C@@H]3C)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000254133759 KK Annotated Mild Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4cccc(Cl)c4)[C@H]3C[C@@H]2c2ccccc2)cc1 ZINC000254133766 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4cccc(Cl)c4)[C@@H]3C[C@H]2c2ccccc2)cc1 ZINC000254133767 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4cccc(Cl)c4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000254133768 KK Annotated Anodyne C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@H]3CC[C@@]4(C)O[C@H]5C[C@H]6O[C@H]7C[C@H]8O[C@@H](CCOCc9ccccc9)[C@H](OCc9ccccc9)C[C@@H]8O[C@]7(C)CC[C@@H]6O[C@@H]5C[C@@H]4O[C@@H]3C[C@@H]1O2 ZINC000254133778 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C(C)C)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)C(C)C ZINC000254134022 KK Annotated Anodyne CC[C@@H](C)CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000254134039 KK Annotated Anodyne CC[C@H](C)CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000254134042 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@@]34C[C@]2(C)O[C@H]1[C@H]3[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000254134062 KK Annotated Mild C[C@H]1[C@@H]2C[C@@]34C[C@]2(C)O[C@H]1[C@@H]3[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000254134066 KK Annotated Mild C[C@H]1[C@@H]2C[C@@]34C[C@]2(C)O[C@H]1[C@H]3[C@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000254134069 KK Annotated Mild C[C@H]1[C@@H]2C[C@@]34C[C@]2(C)O[C@H]1[C@@H]3[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)O)c1O)C(=O)C=C4c1ccccc1 ZINC000254134071 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000254134109 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000254134112 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Oc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000254134159 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Oc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000254134162 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Oc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000254134164 KK Annotated Anodyne CC1CCC(CN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000254134230 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000254134278 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000254134283 KK Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254134379 KK Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2C[C@@]3(N4CCCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254134383 KK Annotated Anodyne O=C1CC(C[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000254134399 KK Annotated Anodyne O=C1CC(C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000254134403 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254134477 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@@H]2C[C@@]3(N4CCCC4)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1 ZINC000254134482 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000254134487 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000254134494 KK Annotated Bother C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)/C(=N\OC)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000254134498 KK Annotated Mild C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 ZINC000254134657 KK Annotated Reactive CC[C@H](C)CN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000254134660 KK Annotated Anodyne CC(=O)Nc1ccc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(NC(C)=O)cc3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)cc1 ZINC000254134724 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)CSc2nc3ccccc3o2)[C@H]1c1ccccc1 ZINC000254134729 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)CSc2nc3ccccc3o2)[C@H]1c1ccccc1 ZINC000254134733 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)C(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)C4CCC4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)C(C)C)cc2)C(=O)O)ccc1OC(=O)C1CCC1 ZINC000254134734 KK Annotated Anodyne CCOc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000254134756 KK Annotated Anodyne COc1cc([C@@H]2CN(C(C)=O)C[C@]3(CCCN([C@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000254134770 KK Annotated Anodyne COc1cc([C@@H]2CN(C(C)=O)C[C@@]3(CCCN([C@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000254134776 KK Annotated Anodyne N[C@@H]1CC[C@@H](Nc2c(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(Br)c3cccnc23)CC1 ZINC000254134809 KK Annotated Anodyne CC(C)CCN1C[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@H](CC(C)C)C(=O)O)c2)CC[C@H]1C(F)(F)F ZINC000254134914 KK Annotated Anodyne CC(C)CCN1C[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@H](CC(C)C)C(=O)O)c2)CC[C@@H]1C(F)(F)F ZINC000254134918 KK Annotated Anodyne CC(C)CCN1C[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)O)c2)CC[C@H]1C(F)(F)F ZINC000254134921 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@@H]3[C@H](CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](O)C[C@@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000254134937 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000254134966 KK Annotated Mild COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(C)=O)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(C)=O)cc2)C(=O)O)ccc1OC(=O)c1cccs1 ZINC000254135225 KK Annotated Anodyne CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)Cc4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c([C@H](C)OCc1cccc(I)c1)c4C)c(C)c3CCC(=O)O ZINC000254135258 KK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(C(=O)N[C@]2(C(=O)O)[C@H](c3cccc(OCc4ccccc4)c3)[C@@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H]2c2cccc(OCc3ccccc3)c2)cc1 ZINC000254135268 KK Annotated Anodyne COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(NC(C)=O)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1NC(C)=O ZINC000254135308 KK Annotated Anodyne CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3c(C(=O)c4ccccc4)cc(O)nc3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000254135405 KK Annotated Reactive CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](CCc3ccccc3)C[C@]2(C)C=O)cc1)(C(C)C)C(C)C ZINC000254135407 KK Annotated Reactive COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000254135447 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000254135450 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@]1(O[C@H](C[C@@H](C)O)[C@H](C)CC1=O)[C@@H]2C ZINC000254135542 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N1)O4 ZINC000254135574 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000254135587 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000254135590 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000254135610 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000254135613 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000254135615 KK Annotated Anodyne CC(C)CCN(Cc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)nc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000254136442 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](n3c4c(c5ccccc53)C[C@H]3[C@@H](C(=O)OC)[C@H](C[C@H]4O)/C(=C\C)CN3C)C[C@H]1[C@@H]2C(=O)OC ZINC000254136638 KK Annotated Anodyne C[C@]1(CNCc2ccccc2)C[C@@H](CCc2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1Cc1ccc(O)cc1 ZINC000254136665 KK Annotated Bother C[C@@H]1OC(=O)C[C@H]2CC(=O)N(CC[C@H]3CN(S(=O)(=O)C(F)(F)F)c4ccc(Cc5ccc6c(c5)[C@@H](CCN5C[C@@H]7[C@H](C)OC(=O)C[C@H]7CC5=O)CN6S(=O)(=O)C(F)(F)F)cc43)C[C@H]12 ZINC000254136777 KK Annotated Anodyne NC1=N[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@@H]2O1 ZINC000254140564 KK Annotated Anodyne CCn1c2ccccc2c2ccc([C@@H]3[C@@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@@H]4ON3[C@H](C(N)=O)c3ccccc3)cc21 ZINC000254140647 KK Annotated Anodyne CCn1c2ccccc2c2ccc([C@@H]3[C@@H]4C(=O)N(c5cccc6ccccc56)C(=O)[C@H]4ON3[C@@H](C(N)=O)c3ccccc3)cc21 ZINC000254140652 KK Annotated Anodyne C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000254140799 KK Annotated Clean C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000254140804 KK Annotated Clean C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@H](C)O2)c1C3=O ZINC000254140808 KK Annotated Clean C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000254140810 KK Annotated Clean Nc1ccc(Oc2ccc(C34CC5C[C@H]6[C@H]3CC3C[C@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)c(O)c5)cc4)C3)cc2)cc1O ZINC000254140819 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]3[C@H]2C1 ZINC000254140890 KK Annotated Clean CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]3[C@H]2C1 ZINC000254141524 KK Annotated Clean CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]3[C@@H]2C1 ZINC000254141525 KK Annotated Clean C=C[C@H]1C[N@+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@@H]2[C@@H](OCc1ccccc1)c1ccnc2ccc(OC)cc12 ZINC000254141575 KK Annotated Mild CCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCCCC)[C@@H]1O ZINC000254141683 KK Annotated Mild CCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCCCC)[C@H]1O ZINC000254141692 KK Annotated Mild CCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCCCC)[C@H]1O ZINC000254141701 KK Annotated Mild CCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCCCC)[C@@H]1O ZINC000254141708 KK Annotated Mild COP(=O)(CC(=O)[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OC ZINC000254141785 KK Annotated Anodyne COP(=O)(CC(=O)[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)OC ZINC000254141787 KK Annotated Anodyne COP(=O)(CC(=O)[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)OC ZINC000254141790 KK Annotated Anodyne COP(=O)(CC(=O)[C@@H]1O[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OC ZINC000254141792 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@H](C)C=CC(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@H](C)C=CC=C[C@@H](OC)CCC=C(C)C=CC1 ZINC000254142552 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@H](C)C=CC(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000254142555 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@H](C)C=CC(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)C=CC=C[C@@H](OC)CCC=C(C)C=CC1 ZINC000254142559 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@H](C)C=CC(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000254142561 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C1 ZINC000254142590 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@@H](OC)C1 ZINC000254142593 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C1 ZINC000254142596 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H](OC)C[C@H](O)C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000254142598 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254142730 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000254142734 KK Annotated Mild CC1=CC(=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=C\[C@H]1C(C)=CC(=O)CC1(C)C ZINC000254143470 KK Annotated Mild CC1=CC(=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=C\[C@H]1C(C)=CC(=O)CC1(C)C ZINC000254143473 KK Annotated Mild CC1=CC(=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=C\[C@@H]1C(C)=CC(=O)CC1(C)C ZINC000254143477 KK Annotated Mild CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(O)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000254144240 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C ZINC000254144241 KK Annotated Reactive CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C ZINC000254144243 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254150325 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254150332 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254150337 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254150346 KK Annotated Anodyne CCC(C)(C)[C@@H]1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)c(OC)c(OC)c1)N[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000254153408 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C1 ZINC000254153429 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)CCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@@H]32)C1 ZINC000254153435 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C1 ZINC000254153440 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)CCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@@H]32)C1 ZINC000254153444 KK Annotated Reactive CSc1nc(Br)nc2ncn([C@@H]3C[C@H](Oc4ccc(C)cc4)[C@H](COc4ccc(C)cc4)O3)c12 ZINC000254156390 KK Annotated Anodyne Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2c1 ZINC000254156429 KK Annotated Bother Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@@H]4ON3[C@H](C(N)=O)c3ccccc3)c2c1 ZINC000254156433 KK Annotated Bother O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000254156560 KK Annotated Anodyne in-vitro COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000254169199 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 ZINC000254169206 KK Annotated Anodyne CN1CCN(CCCN2CC[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000254169260 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)[C@@H]2[C@@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000254169265 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000254169269 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000254169272 KK Annotated Anodyne Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2[C@@H](c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000254169317 KK Annotated Anodyne Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2C(c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000254169321 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@H]2[C@H](c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000254169326 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2[C@H](c2ccccc2)[C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@H]2c2ccc(C)cc2)cc1 ZINC000254169333 KK Annotated Anodyne CC(C)CCN(Cc1ccc([C@@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000254169474 KK Annotated Anodyne CC(C)CCN(Cc1ccc([C@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)[C@@H]1CC[C@@H](C(C)(C)C)CC1 ZINC000254169475 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000254169477 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1ccccc1)[C@H]2[C@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000254169478 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1ccccc1)[C@@H]2[C@@H](c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccco2)C[C@H]1c1ccccc1 ZINC000254169479 KK Annotated Anodyne CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@H](CCCC)[C@@H](C(=O)O)[C@H]1C(=O)O)OC(=O)CCCCCCC/C=C/C=C/C=C/CCCC ZINC000254170059 KK Annotated Anodyne CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@H](CCCC)[C@H](C(=O)O)[C@H]1C(=O)O)OC(=O)CCCCCCC/C=C/C=C/C=C/CCCC ZINC000254170078 KK Annotated Anodyne CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@H](CCCC)[C@@H](C(=O)O)[C@@H]1C(=O)O)OC(=O)CCCCCCC/C=C/C=C/C=C/CCCC ZINC000254170085 KK Annotated Anodyne COc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000254170100 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000254170107 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000254170112 KK Annotated Anodyne CO[C@@]12CC(=O)[C@]3([C@H]4C[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(OC(C)=O)[C@H]6CC[C@]5(C)[C@@H]41)[C@H](C[C@H]1C[C@@H]4CCC5=CC(=O)CC[C@]5(OC(C)=O)[C@@H]4C[C@@]13C)C2 ZINC000254194463 KK Annotated Mild CO[C@]12CC(=O)[C@@]3([C@H](C[C@H]4C[C@@H]5CCC6=CC(=O)CC[C@]6(OC(C)=O)[C@@H]5C[C@@]43C)C1)[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(OC(C)=O)[C@H]4CC[C@]3(C)[C@H]12 ZINC000254194466 KK Annotated Mild CO[C@@]12CC(=O)[C@]3([C@H]4C[C@H]5[C@@H]6CCC7=CC(=O)CC[C@]7(OC(C)=O)[C@H]6CC[C@]5(C)[C@H]41)[C@H](C[C@H]1C[C@@H]4CCC5=CC(=O)CC[C@]5(OC(C)=O)[C@@H]4C[C@@]13C)C2 ZINC000254194471 KK Annotated Mild CO[C@]12CC(=O)[C@@]3([C@H](C[C@H]4C[C@@H]5CCC6=CC(=O)CC[C@]6(OC(C)=O)[C@@H]5C[C@@]43C)C1)[C@@H]1C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(OC(C)=O)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000254194475 KK Annotated Mild COc1cc(/C=C2\CC[C@H](C)[C@@H]3C2=NN(C(C)=O)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000254194538 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@H](C)[C@H](O)C1 ZINC000254200530 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@@H](C)[C@@H](O)C1 ZINC000254200531 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@@H](C)[C@H](O)C1 ZINC000254200534 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)C=C[C@H](C)[C@@H](O)C1 ZINC000254200537 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3[C@H]2C1 ZINC000254200545 KK Annotated Anodyne CO[C@]12CC(=O)[C@@]3([C@H](C[C@H]4C[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(OC(C)=O)[C@@H]5C[C@@]43C)C1)[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@H]4CC[C@]3(C)[C@H]12 ZINC000254201114 KK Annotated Anodyne CO[C@@]12CC(=O)[C@]3([C@H]4C[C@H]5[C@@H]6CC[C@H]7C[C@@H](OC(C)=O)CC[C@]7(OC(C)=O)[C@H]6CC[C@]5(C)[C@@H]41)[C@H](C[C@H]1C[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@@H]4C[C@@]13C)C2 ZINC000254201116 KK Annotated Anodyne CO[C@@]12CC(=O)[C@]3([C@H]4C[C@H]5[C@@H]6CC[C@H]7C[C@@H](OC(C)=O)CC[C@]7(OC(C)=O)[C@H]6CC[C@]5(C)[C@H]41)[C@H](C[C@H]1C[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@@H]4C[C@@]13C)C2 ZINC000254201118 KK Annotated Anodyne CO[C@]12CC(=O)[C@@]3([C@H](C[C@H]4C[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(OC(C)=O)[C@@H]5C[C@@]43C)C1)[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000254201119 KK Annotated Anodyne CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000254201601 KK Annotated Mild CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1O ZINC000254201605 KK Annotated Mild CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000254201608 KK Annotated Mild CC[C@H](C)C1=C(O)[N@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@H](C)CC)C(=O)N1O ZINC000254201612 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@H](O)[C@@H](O)C#CC(=O)O ZINC000254201638 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000254201642 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@@H](O)[C@H](O)C#CC(=O)O ZINC000254201645 KK Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)C([C@@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@H]([C@H]%10C[C@H]7N6C/C%10=C/C)[C@@H]98)=C[C@@H]([C@H]1C[C@@H]23)[C@@H]54 ZINC000254201677 KK Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)C([C@@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@H]([C@H]%10C[C@H]7N6C/C%10=C/C)[C@@H]98)=C[C@H]([C@H]1C[C@@H]23)[C@@H]54 ZINC000254201679 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5C(=O)C([C@@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@H]([C@H]%10C[C@H]7N6C/C%10=C/C)[C@@H]98)=C[C@@H]([C@H]53)[C@H]1C[C@@H]24 ZINC000254201682 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5C(=O)C([C@@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@H]([C@H]%10C[C@H]7N6C/C%10=C/C)[C@@H]98)=C[C@H]([C@H]53)[C@H]1C[C@@H]24 ZINC000254201684 KK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3[C@@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@H]4ON3[C@@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000254209937 KK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3[C@@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@@H]4ON3[C@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000254209938 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@H](n2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)c(C#N)c2=S)[C@@H]1OC(C)=O ZINC000254209943 KK Annotated Mild CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CO[C@@H]1n1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)c(C#N)c1=S ZINC000254209944 KK Annotated Mild CC(=O)ON(C(C)=O)[C@H]1[C@@H]2OC3(CCCC3)O[C@@H]2O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000254216415 KK Annotated Mild CC(=O)ON(C(C)=O)[C@H]1[C@@H]2OC3(CCCC3)O[C@H]2O[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000254216418 KK Annotated Mild CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CC[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)[C@H]1CC3 ZINC000254216437 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CC[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000254216441 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](O)[C@@H]1O ZINC000254216514 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](O)[C@H]1O ZINC000254216515 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@@H]1O ZINC000254216517 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](O)[C@H]1O ZINC000254216519 KK Annotated Mild CC1=C[C@H]2[C@]3(C)[C@](C)(C(C)=C[P@@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000254216566 KK Annotated Anodyne CC1=C[C@H]2[C@]3(C)[C@](C)(C(C)=C[P@@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000254216567 KK Annotated Anodyne CC1=C[C@H]2[C@]3(C)[C@](C)(C(C)=C[P@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000254216568 KK Annotated Anodyne CC1=C[C@H]2[C@]3(C)[C@](C)(C(C)=C[P@]3(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)[C@H]1[P@]2(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000254216569 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C[C@@H]2C(=O)CC(C)(C)[C@H](C(=O)C(=O)Nc3c(C)cccc3C)C2=O)c2ccc(OC)cc2)cc1 ZINC000254224099 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C[C@H]2C(=O)CC(C)(C)[C@H](C(=O)C(=O)Nc3c(C)cccc3C)C2=O)c2ccc(OC)cc2)cc1 ZINC000254224102 KK Annotated Anodyne C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000254224140 KK Annotated Mild C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000254224142 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@]2(C)C(=O)C[C@]2(C)[C@H]([C@]4(C)OC(C(C)C)=CC4=O)[C@@H](O)C[C@]32C)C1(C)C ZINC000254224183 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@]2(C)C(=O)C[C@]2(C)[C@H]([C@]4(C)OC(C(C)C)=CC4=O)[C@H](O)C[C@]32C)C1(C)C ZINC000254224185 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@]2(C)C(=O)C[C@]2(C)[C@H]([C@]4(C)OC(C(C)C)=CC4=O)[C@@H](O)C[C@@]32C)C1(C)C ZINC000254224187 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@@H]3[C@]2(C)C(=O)C[C@]2(C)[C@H]([C@]4(C)OC(C(C)C)=CC4=O)[C@H](O)C[C@@]32C)C1(C)C ZINC000254224189 KK Annotated Mild c1cc(CN[C@H]2[C@H]3CC[C@@H](C3)[C@H]2c2c[nH]c3ccccc23)cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000254224190 KK Annotated Anodyne c1cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2c2c[nH]c3ccccc23)cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000254224192 KK Annotated Anodyne c1cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000254224194 KK Annotated Anodyne c1cc(CN[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)cc(CN[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2c2c[nH]c3ccccc23)c1 ZINC000254224196 KK Annotated Anodyne NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000254224227 KK Annotated Bother NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000254224229 KK Annotated Bother NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000254224389 KK Annotated Bother NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000254224392 KK Annotated Bother Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5)cc4)C4C[C@H]5C6CC7C[C@@H]5C3[C@H](C7)[C@H]6C4)cc2)cc1O ZINC000254224460 KK Annotated Anodyne CC[C@H](C)C1=C(OC(C)=O)[N@+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@H](C)CC)C(=O)N1OC(C)=O ZINC000254239082 KK Annotated Mild CC[C@H](C)C1=C(OC(C)=O)[N@+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1OC(C)=O ZINC000254239083 KK Annotated Mild CC[C@H](C)C1=C(OC(C)=O)[N@+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1OC(C)=O ZINC000254239084 KK Annotated Mild Cc1cc(Cc2cc(C)c(NC(=O)C(=O)[C@@H]3CCC4=C(S[C@@H]5C=CC=C[C@@H]5N4)C3=O)c(C(C)C)c2)cc(C(C)C)c1NC(=O)C(=O)[C@@H]1CCC2=C(S[C@H]3C=CC=C[C@H]3N2)C1=O ZINC000254239105 KK Annotated Mild Cc1cc(Cc2cc(C)c(NC(=O)C(=O)[C@@H]3CCC4=C(S[C@@H]5C=CC=C[C@H]5N4)C3=O)c(C(C)C)c2)cc(C(C)C)c1NC(=O)C(=O)[C@@H]1CCC2=C(S[C@@H]3C=CC=C[C@@H]3N2)C1=O ZINC000254239106 KK Annotated Mild Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3cc(Br)ccc3F)s2)cc1 ZINC000254311531 KK Annotated Reactive CC1=NN(c2ccccc2)C(=O)C1=NNc1c(Br)cc(Br)cc1Br ZINC000254339389 KK Annotated Mild CCOc1ccccc1N=C1S[C@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000254353610 KK Annotated Mild aggregator CCOc1ccccc1N=C1S[C@@H](CC(=O)Nc2ccc(OC)cc2OC)C(=O)N1CCC1=CCCCC1 ZINC000254353618 KK Annotated Mild aggregator O=C(C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000254376527 KK Annotated Mild aggregator O=C(C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(CCC2=CCCCC2)C1=O)Nc1ccccc1F ZINC000254376528 KK Annotated Mild aggregator COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc4ccccc34)n2-c2ccc(C)cc2)cc1 ZINC000254381096 KK Annotated Reactive CC(=NNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1cccc2ccccc12 ZINC000254397672 KK Annotated Reactive COc1ccc(Nc2nc(NN=Cc3cc4c(cc3Br)OCO4)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000254401280 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000254447526 KK Annotated Anodyne Cc1ccccc1OCc1nc2ccccc2c(=O)n1N=Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC000254450897 KK Annotated Mild aggregator Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c(C)nn(-c4ccccc4)c3C)s2)cc1 ZINC000254492915 KK Annotated Reactive aggregator Brc1cc2c(cc1C=NNc1nc(Nc3ccccc3)nc(Nc3ccccc3)n1)OCO2 ZINC000254497110 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1C=Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000254509354 KK Annotated Mild COc1cc(C=NNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000254515919 KK Annotated Mild COc1ccc(-c2nnc(SCC(=O)NN=C(C)c3cccc4ccccc34)n2-c2ccccc2)cc1 ZINC000254517517 KK Annotated Reactive COc1ccc(OC)c(NC(=O)C[C@@H]2SC(=Nc3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000254524587 KK Annotated Mild COc1ccc(OC)c(NC(=O)C[C@H]2SC(=Nc3ccc(F)cc3)N(CCC3=CCCCC3)C2=O)c1 ZINC000254524591 KK Annotated Mild CCn1c2ccccc2c2cc(N=C3S[C@H](CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000254557753 KK Annotated Mild CCn1c2ccccc2c2cc(N=C3S[C@@H](CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000254557754 KK Annotated Mild Cc1sc2ncnc(N3CCC(C(=O)N4C[C@H](C)SC4=Nc4ccc(Cl)cc4)CC3)c2c1C ZINC000254565360 KK Annotated Mild Cc1sc2ncnc(N3CCC(C(=O)N4C[C@@H](C)SC4=Nc4ccc(Cl)cc4)CC3)c2c1C ZINC000254565362 KK Annotated Mild O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)NN=Cc1c(Cl)cccc1Cl ZINC000254572930 KK Annotated Reactive aggregator O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C(=Nc3ccc(Cl)cc3)S2)cc1 ZINC000254620631 KK Annotated Mild O=C(O)c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C(=Nc3ccc(Cl)cc3)S2)cc1 ZINC000254620634 KK Annotated Mild C/C(C=NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)=C\c1ccccc1 ZINC000254626687 KK Annotated Reactive CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)O)O3)O[C@H](CC1)[C@H]2C ZINC000254695971 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@H]2C ZINC000254695974 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@@H]2C ZINC000254695976 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@H](C)O)O1)[C@@H]2C ZINC000254695978 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(N=Cc2c(C)nn(-c3ccccc3)c2Cl)c1 ZINC000254721667 KK Annotated Mild COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000254758894 KK Annotated Mild COc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2=CCCCC2)C1=O ZINC000254758897 KK Annotated Mild CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000254763427 KK Annotated Anodyne CCOC(=O)C1=C(C)N=c2sc(=Cc3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000254763431 KK Annotated Anodyne CN1/C(=C2/SC(=Nc3ccc4ncccc4c3)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 ZINC000254815664 KK Annotated Mild CN1/C(=C2\SC(=Nc3ccc4ncccc4c3)N(Cc3ccccc3)C2=O)Sc2ccc(Cl)cc21 ZINC000254815667 KK Annotated Mild C=C1SC(=Nc2c(C)cccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C12CCCCC2 ZINC000254817103 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(N=Cc2c(C)nn(-c3ccccc3Cl)c2Cl)c1 ZINC000254840454 KK Annotated Mild CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 ZINC000254843296 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(N=Cc2c(C)nn(-c3ccccc3)c2Cl)c1 ZINC000254907562 KK Annotated Mild aggregator CC[C@@H](c1ccc(O)c(I)c1)[C@@H](CC)c1ccc(O)c(I)c1 ZINC000025963438 KK Annotated Anodyne CC[C@H](c1ccc(O)c(I)c1)[C@H](CC)c1ccc(O)c(I)c1 ZINC000025963443 KK Annotated Anodyne CC[C@H](c1ccc(O)c(I)c1)[C@@H](CC)c1cc(I)c(O)c(I)c1 ZINC000025965158 KK Annotated Anodyne CC[C@@H](c1ccc(O)c(I)c1)[C@@H](CC)c1cc(I)c(O)c(I)c1 ZINC000025965163 KK Annotated Anodyne CC[C@H](c1ccc(O)c(I)c1)[C@H](CC)c1cc(I)c(O)c(I)c1 ZINC000025965169 KK Annotated Anodyne CC[C@H](c1cc(I)c(O)c(I)c1)[C@@H](CC)c1ccc(O)c(I)c1 ZINC000025965174 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2[nH]c1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000025968288 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2[nH]c1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000025968294 KK Annotated Anodyne C/C(=C\Cn1oc(=O)[nH]c1=O)c1ccc2oc(Cc3nc(-c4ccc(C(F)(F)F)cc4)oc3C)cc2c1 ZINC000025969127 KK Annotated Anodyne CCCC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2-c2ccccc2)c1 ZINC000025970524 KK Annotated Anodyne O[C@H]1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000025972481 KK Annotated Anodyne O[C@@H]1c2ccc(OCc3ccccc3-c3ccccc3)cc2CC[C@H]1CCN1CCC(c2ccccc2)CC1 ZINC000025973524 KK Annotated Anodyne O=C1NC(=O)c2cc(Nc3ccc(I)cc3)c(Nc3ccc(I)cc3)cc21 ZINC000025975783 KK Annotated Anodyne CCCCCC[C@@H](C(=O)N1C[C@@H](Oc2ccc(CC(=O)O)cc2)C[C@H]1C(=O)O)n1cnc2cc(-c3ccccc3S(=O)(=O)O)ccc21 ZINC000025976037 KK Annotated Anodyne COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(CC6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000025977001 KK Annotated Bother COC(=O)C(C)(C)CCCSc1ccc(Oc2ccc(SCCCC(C)(C)C(=O)OC)cc2)cc1 ZINC000025978777 KK Annotated Anodyne COC(=O)C(C)(C)CCCSc1ccc(-c2ccc(SCCCC(C)(C)C(=O)OC)cc2)cc1 ZINC000025978979 KK Annotated Anodyne COc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(CCC6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000025979157 KK Annotated Bother CCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000025979473 KK Annotated Mild CCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000025979482 KK Annotated Mild CCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000025979491 KK Annotated Mild CCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000025979499 KK Annotated Mild N#CN/C(=N\[C@H](Cn1ccnc1)c1cc(C(F)(F)F)ccc1C(F)(F)F)Nc1ccc(Cl)cc1Cl ZINC000025979674 KK Annotated Mild N#CN/C(=N\[C@@H](Cn1ccnc1)c1cc(C(F)(F)F)ccc1C(F)(F)F)Nc1ccc(Cl)cc1Cl ZINC000025979683 KK Annotated Mild COC(=O)C(C)(C)CCCOc1cc(C(C)(C)C)c(OCCCC(C)(C)C(=O)OC)cc1C(C)(C)C ZINC000025980159 KK Annotated Anodyne COC(=O)C(C)(C)CCCOc1cc(OCCCC(C)(C)C(=O)OC)c(C(C)(C)C)cc1C(C)(C)C ZINC000025980384 KK Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025980808 KK Annotated Anodyne O=S(=O)(c1cc(Cl)ccc1Cl)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025980816 KK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025981044 KK Annotated Anodyne O=S(=O)(c1cccc2ccccc12)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025981053 KK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025981368 KK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025981376 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025981474 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025981482 KK Annotated Anodyne Cc1nc(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@@H]2CCc2ccccc2)c[nH]1 ZINC000025981547 KK Annotated Anodyne Cc1nc(CN2c3ccccc3CN(S(=O)(=O)c3ccc(F)cc3)C[C@H]2CCc2ccccc2)c[nH]1 ZINC000025981555 KK Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@H](CCc3ccccc3)C2)c(Cl)c1 ZINC000025981851 KK Annotated Mild N#Cc1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3c[nH]cn3)[C@@H](CCc3ccccc3)C2)c(Cl)c1 ZINC000025981859 KK Annotated Mild Cc1[nH]cnc1CN1c2ccccc2CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1CCc1ccccc1 ZINC000025981910 KK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C[C@H]1CCc1ccccc1 ZINC000025981919 KK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(S(=O)(=O)c2ccc(F)cc2)C[C@@H]1CCc1ccccc1 ZINC000025982338 KK Annotated Anodyne Cc1[nH]cnc1CN1c2ccccc2CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1CCc1ccccc1 ZINC000025982346 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3ncc[nH]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025982489 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccccc3N(Cc3ncc[nH]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025982497 KK Annotated Anodyne O=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@H](CCc2ccccc2)C1 ZINC000025983319 KK Annotated Anodyne O=S(=O)(c1cccc2cccnc12)N1Cc2ccccc2N(Cc2c[nH]cn2)[C@@H](CCc2ccccc2)C1 ZINC000025983328 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000025984072 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000025984082 KK Annotated Mild Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O ZINC000025985114 KK Annotated Bother CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O ZINC000025985122 KK Annotated Bother Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O ZINC000025986380 KK Annotated Bother Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O ZINC000025987286 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000025988343 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O ZINC000025988722 KK Annotated Bother CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C(C)(C)C)cc3C1=O)C2=O ZINC000025990770 KK Annotated Bother Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O ZINC000025991176 KK Annotated Bother Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O ZINC000025991222 KK Annotated Bother O=P(O)(O)C(F)(F)c1ccc(C[C@@](CCCc2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000025992179 KK Annotated Anodyne O=P(O)(O)C(F)(F)c1ccc(C[C@](CCCc2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000025992187 KK Annotated Anodyne NS(=O)(=O)c1ccccc1-c1ccc(C[C@@](Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000025993918 KK Annotated Anodyne NS(=O)(=O)c1ccccc1-c1ccc(C[C@](Cc2ccc(C(F)(F)P(=O)(O)O)cc2)(c2ccccc2)n2nnc3ccccc32)cc1 ZINC000025993925 KK Annotated Anodyne O=P(O)(O)c1cccc(-c2ccc(C[C@](Cc3ccc(C(F)(F)P(=O)(O)O)cc3)(c3ccccc3)n3nnc4ccccc43)cc2)c1 ZINC000025997980 KK Annotated Anodyne COc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2cc(Br)ccc12 ZINC000025998778 KK Annotated Clean CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C[C@H](O)[C@@H]3[C@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255187992 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@](C)(CC[C@@H](C)[C@@]4(C)O)CC[C@]32C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]12 ZINC000255191371 KK Annotated Anodyne CC(=O)OC(C)(C)[C@H]1CC[C@@]2(CO)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3CC[C@]21C ZINC000255191781 KK Annotated Anodyne CCCCCCCCCCCC(=O)OC/C(C#C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O ZINC000255191837 KK Annotated Mild CCCCCCCCCCCC(=O)OC/C(C#C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@@]1(C)O ZINC000255191841 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]23C[C@]24CC[C@@]2(C)[C@@](C)(CC[C@@]25O[C@@]2(C[C@@H](C)C(=O)O2)C[C@H]5C)[C@@H]4CC[C@H]3C1(C)C ZINC000255191890 KK Annotated Anodyne CNc1cccc(C(=O)O[C@H]2C[C@]3(C)[C@@H](O)C[C@]4(C)[C@H](C(=O)C[C@H]5[C@@]6(C)CC[C@H](O)[C@@](C)(CO)[C@@H]6CC[C@]54C)[C@@H]3C[C@@]2(C)C=O)c1 ZINC000255191903 KK Annotated Mild CC1(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]5(Nc6ccc(N7c8ccccc8[C@@H]8N9[C@@H]%10C[C@@]87[C@]7(C)CC(=O)[C@@H](C[C@H]%107)C9(C)C)cc6[C@@H]5N41)[C@]3(C)CC2=O ZINC000255191915 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)O)C(=C)CC[C@H]21 ZINC000255191971 KK 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=C/C(C)=C/C=C/CC(C)(C)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000255191979 KK 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=C\C(C)=C\C=C\CC(C)(C)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255191982 KK 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=C\C(C)=C\C=C\CC(C)(C)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255191984 KK 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=C\C(C)=C\C=C/CC(C)(C)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255191986 KK 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=C\C(C)=C\C=C/CC(C)(C)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255191988 KK 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=C/C(C)=C/C=C/CC(C)(C)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255191991 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000255192214 KK Annotated Anodyne CC/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000255192219 KK Annotated Anodyne C=C1CCCC(=O)[C@@]2(CC[C@H](C)CN)CCC([C@@H]3C[C@H](C)C(=O)O3)=C(C)[C@@H]2/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000255192270 KK Annotated Mild C/C=C1/CN2CC[C@@]34CN5c6c(cccc6[C@@]36[C@@H]2C[C@H]1[C@@H](C(=O)OC)N6c1ccccc14)[C@@]12CCN3CC=C[C@@](CC)(CC[C@H]51)[C@H]32 ZINC000255192304 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34CN5c6c(cccc6[C@@]36[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N6c1ccccc14)[C@@]12CCN3CC=C[C@@](CC)(CC[C@H]51)[C@H]32 ZINC000255192308 KK Annotated Anodyne CC[C@@H](C)C(=O)O[C@H](COC(C)=O)[C@@](C)(O)CCC[C@@]1(O)CC[C@@H](O)[C@H](C)CCCC[C@@H](C)[C@H](O)CC[C@@](O)(CCC[C@@](C)(O)[C@H](COC(C)=O)OC(=O)CC(C)C)[C@H](CC(C)C)[C@@H]1CC(C)C ZINC000255192362 KK Annotated Anodyne COC(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)CC/C=C(\C)CCCC(C)(C)O[Si](C)(C)C ZINC000255192480 KK Annotated Reactive CO[C@@H]1C=C(C)C=C[C@@H](C)C=CC(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000255192526 KK Annotated Anodyne CO[C@H]1/C=C(C)/C=C/[C@@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255192531 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@@H](C)C=CC(=O)O[C@H](/C(C)=C/C=C(/C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000255192537 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C\C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255192542 KK Annotated Anodyne COC(OC)[C@@H](CC(=O)[C@@H](O)C(C)(C)OC)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255192559 KK Annotated Anodyne C/C=C(\C)C[C@@H](C)[C@@H](O)[C@@H](C)[C@H]1O[C@@]2(C[C@@H](OC)[C@@H]1C)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)[C@@H](C)C[C@H]2O ZINC000255193005 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255193042 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@H](O[C@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@@H](OC)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000255193047 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255193053 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255193057 KK Annotated Anodyne in-vitro C/C=C1\CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3[C@H]4[C@@H](CC)C[C@H](C[C@@]54C(=O)OC)[C@H]3O)C[C@@H]1[C@H]2C(=O)OC ZINC000255193280 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CCCC1(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 ZINC000255193375 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000255193377 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/C[C@@H]([C@](C)(O)/C=C(\C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(OC(=O)[C@H](C)[C@H](C)O)[C@@H](C)C[C@H](C)C[C@H](O)[C@@H](C)C(=O)[C@H](CO)/C=C\C[C@H](C)[C@@H](O)[C@@H]1O ZINC000255193379 KK Annotated Anodyne C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)[C@H]1O[C@@](O)([C@@H](O)[C@H]2C[C@@H]3O[C@@]4(CC[C@]5(C=CC[C@@H](/C=C/CCC(=O)O)O5)O4)[C@@H](C)C[C@@H]3O2)[C@H](C)C[C@@H]1C ZINC000255193399 KK Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@@]5(C=CC[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@@H](C)C[C@H]1C ZINC000255193400 KK Annotated Mild C[C@H](CC[C@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000255193410 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5[C@H]([C@@H]6[C@@H]7C[C@H]8N(CC[C@]89c8ccccc8N(C(C)=O)[C@H]69)C/C7=C/C)OC=C([C@H]1C[C@H]23)[C@H]54 ZINC000255193418 KK Annotated Anodyne CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000255193423 KK Annotated Anodyne CC[C@]12C[C@]34CC(C(=O)OC)=C5Nc6ccccc6[C@]56CCN3[C@H]1[C@@H]1C[C@]3(CC)C=CCN5CC[C@@]7(c8ccccc8N([C@@H]64)[C@@]17O2)[C@@H]53 ZINC000255193441 KK Annotated Anodyne CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@]1(C)O)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255193538 KK Annotated Mild CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@H](OC(C)=O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255193541 KK Annotated Mild 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CO[C@H]1C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C\C=C\C=C/C(C)=C/[C@@H](C)[C@H](O)/C=C\C=C\c2coc(n2)[C@@H]1C ZINC000255197047 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H](OC(C)=O)[C@@H]5C)[C@]4(C)CC[C@]3(C)[C@@H]2C1 ZINC000255197060 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)Cc2ccccc2)[C@H]2[C@@H](C[C@@H](OC(C)=O)[C@H]3C[C@@H](N(C)C)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000255197074 KK Annotated Anodyne COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC(=O)C2=C3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@]3(O)CC[C@]21C ZINC000255197090 KK Annotated Mild COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC(=O)C2=C3CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@]3(O)CC[C@]21C ZINC000255197180 KK Annotated Mild C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3C[C@@H](O)[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255197187 KK Annotated Mild COC(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)\C=C\C=C(C)\C=C/C(=O)C(C)(C)OC ZINC000255197197 KK Annotated Mild C/C=C(\CC[C@@H](C(=O)S)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255197208 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@@]2(C)[C@H](CCC(C)=O)C(C)=CC[C@@H]2C1(C)C ZINC000255197214 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000255197223 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000255197224 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@H](C)OC(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000255197225 KK Annotated Anodyne CN1CC[C@@]2(c3cccc4c3N[C@H]3N(C)CC[C@@]43c3cccc4c3N[C@H]3N(C)CC[C@@]43[C@@]34CCN(C)[C@@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000255197282 KK Annotated Anodyne CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3c([C@]56CCN(C)[C@H]5Nc5c([C@]78CCN(C)[C@H]7Nc7ccccc78)cccc56)cccc34)c3ccccc3N[C@@H]12 ZINC000255197283 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@@]3(C)[C@@H](OC(C)=O)C[C@@H]4C(C)(C)OC(=O)C[C@@H](OC(C)=O)[C@@]4(C)[C@@H]3CC[C@@]21C ZINC000255197299 KK Annotated Anodyne CSC(=O)[C@H](O)[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](CC[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5OC(C)=O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255197319 KK Annotated Mild 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CC(=O)O[C@@H]1O[C@@H]([C@H](OC(C)=O)C(C)(C)O)C[C@@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)/C=C/c4ccccc4)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]13C ZINC000255197424 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]([C@H](OC(C)=O)C(C)(C)O)C[C@@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)/C=C\c4ccccc4)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]13C ZINC000255197425 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C=Cc5c(cc(Oc6c(O)cc7c(c6C)[C@@H](O)[C@@H](O)[C@H]6[C@@]7(C)CC[C@@]7(C)[C@@H]8C[C@](C)(C(=O)OC)CC[C@]8(C)CC[C@]67C)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000255197462 KK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C=Cc5c(cc(Oc6c(O)cc7c(c6C)[C@@H](O)[C@@H](O)[C@H]6[C@@]7(C)CC[C@@]7(C)[C@@H]8C[C@](C)(C(=O)OC)CC[C@]8(C)CC[C@]67C)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255197463 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1O[C@H](O[C@H]2OC[C@@H]3[C@@H](OC(=O)C=C(C)C)[C@@]4(C)CCCC(C)(C)[C@@]4(C)[C@H]23)[C@@H]2[C@H]1C[C@@]1(C)CCCC(C)(C)[C@@]21C 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COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1C=C(C)/C1=C\C[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C\[C@@H]12)O3 ZINC000255197612 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1C=C(C)C1=CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CCC(C)=C[C@@H]12)O3 ZINC000255197613 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1C=C(C)/C1=C\C[C@@](C)(O)[C@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255197614 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1C=C(C)/C1=C\C[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000255197615 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1C=C(C)/C1=C\C[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255197616 KK Annotated Anodyne 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CC[C@H](O)C[C@H]1O[C@@]2(CC[C@H]1C)O[C@@H]1CC[C@H](CC)/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@@H]([C@H]1C)[C@H]2C ZINC000255197682 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)[C@@H](C[C@H](OC(C)=O)C(C)(C)O)OC(C)=O)[C@@H]3C[C@H]3O[C@]32C1 ZINC000255197707 KK Annotated Anodyne C=C(C)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OC)O1 ZINC000255197712 KK Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@@]1(C)[C@@H]23 ZINC000255197726 KK Annotated Anodyne CCOC(C)(C)[C@H](O)C(=O)C[C@@H](C(OC)OC)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255197757 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255197782 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255197784 KK Annotated Anodyne C=C1CCCC2=NC[C@@H](C)[C@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C ZINC000255198001 KK Annotated Mild CC[C@H](C(=O)O)[C@@H]1CC[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(CC[C@@H](O)[C@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000255198006 KK Annotated Anodyne CNc1ccccc1C(=O)O[C@H]1C[C@]2(C)[C@@H](O)C[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C[C@@]1(C)C=O ZINC000255198009 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@](OC(C)=O)([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)[C@H](OC(C)=O)O1)C(C)(C)OC(C)=O ZINC000255198012 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#C[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000255198013 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1/C=C(\C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255198043 KK Annotated Reactive COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1C=C(C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255198046 KK Annotated Reactive CC(=O)OC[C@]1(C)CC[C@]2(O[C@H]3C[C@H]4[C@@H]5C[C@@H](OC(C)=O)[C@H]6C[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)O1 ZINC000255198048 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)[C@](C)(CO)OC)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255198132 KK Annotated Anodyne C=C1C(=O)[C@@]23CC[C@@H]4[C@@]5(C)CCC[C@@]4(OC5=O)[C@H]2CC[C@]1(OC(=O)[C@@]1(O)C[C@@]24CC[C@H]5[C@@]6(CCC[C@@]5(C)C(=O)O6)[C@@]2(C)CC[C@@H]1C4)C3 ZINC000255198136 KK Annotated Mild CO[C@@H]1[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3[C@H](O)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@H](C)OC(=O)c5ccccc5)CC[C@]43O)C2)OC[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255198546 KK Annotated Anodyne CCO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255198718 KK Annotated Anodyne CC1(C)[C@@H]2C[C@@H]3[C@H]4C[C@@]5(Nc6c(cccc6N6c7ccccc7[C@@H]7N8[C@@H]9C[C@@]76[C@]6(C)CC(=O)[C@@H](C[C@H]96)C8(C)C)[C@@H]5N41)[C@]3(C)CC2=O ZINC000255198719 KK Annotated Anodyne COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](C)(C[C@H](C)[C@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]5(C)C[C@@]34OC5=O)[C@@H]2CC1=O ZINC000255198726 KK Annotated Mild CC(=O)O[C@H]1C[C@H]([C@H](C)[C@@H]2CC=C(C)[C@@H](O)O2)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]12C ZINC000255198801 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C=C\[C@]12O[C@H]1C[C@@H](O)CC2(C)C)CO ZINC000255199312 KK Annotated Bother CC1=CC[C@H](C/C(C)=C/CO)C(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=C/[C@@H]1C(C)=CC[C@H](C/C(C)=C/CO)C1(C)C ZINC000255199457 KK 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=C\C2=C(C)C(=O)[C@@H](OS(=O)(=O)O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000255199464 KK 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=C/C2=C(C)C(=O)[C@@H](OS(=O)(=O)O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000255199472 KK 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=C/C2=C(C)C(=O)[C@@H](OS(=O)(=O)O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000255199477 KK 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=C\C2=C(C)C(=O)[C@@H](OS(=O)(=O)O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000255199484 KK 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=C\C2=C(C)C(=O)[C@@H](OS(=O)(=O)O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000255199487 KK Annotated Mild CO[C@@H]1C[C@H](C[C@H](C)[C@H](CC(=O)[C@@H](C)/C=C(/C)[C@H](O)CO)OC(=O)[C@H]2CCCCN2C(=O)C(=O)[C@@]2(O)O[C@H](C[C@@H](O)/C(C)=C/C=C/C=C/[C@H](C)C[C@@H](C)C(C)=O)CC[C@H]2C)CC[C@H]1O ZINC000255199552 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000255199670 KK 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=C/C2=C(C)C[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)C1 ZINC000255199675 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C1 ZINC000255199679 KK Annotated Bother CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255199681 KK Annotated Bother CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255199684 KK Annotated Bother CO[C@@H](C[C@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)C(=O)NC(=O)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255199865 KK 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=C/[C@@]12O[C@]1(C)C[C@@H](C)CC2(C)C ZINC000255199896 KK Annotated Bother 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=C\[C@@]12O[C@]1(C)C[C@@H](C)CC2(C)C ZINC000255199899 KK Annotated Bother 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=C/[C@@]12O[C@]1(C)C[C@@H](C)CC2(C)C ZINC000255199902 KK Annotated Bother 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=C\[C@@]12O[C@]1(C)C[C@@H](C)CC2(C)C ZINC000255199904 KK Annotated Bother C[C@H]([C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C)[C@H]1CC[C@H]2[C@H]3C(=CC[C@@]21C)[C@H](C)[C@]1(CCC(=O)O1)[C@H]1O[C@@H]31 ZINC000255199994 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255200019 KK Annotated Anodyne C=C(CO)C[C@@H]1C[C@H](O)[C@]2(C)O[C@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1 ZINC000255200111 KK Annotated Mild COC(=O)[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000255200112 KK Annotated Bother CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@H]([C@@H]2OC[C@]3(C[C@@]56CC[C@@H]7C(C)(C)[C@H](OC(C)=O)CC[C@@]7(C)[C@@H]5CC[C@@H]3C6)O2)C4)C1(C)C ZINC000255200115 KK Annotated Anodyne CCC[C@H](O)[C@@H](OC)[C@H]1O[C@]1(C)[C@@H](O)C/C=C/[C@@H]1OC(=O)/C=C/C=C/[C@@H](OC)[C@H](O)/C=C/C(C)=C/[C@H](C)CCC[C@@H](OC)[C@H](O)/C=C/C(C)=C/[C@@H](C)[C@H](O)[C@H]1OC ZINC000255200131 KK Annotated Anodyne CO[C@@H]1[C@@H]([C@@H]2O[C@](C)(O)[C@H](C)[C@@H](OC)[C@H]2C)O[C@H]([C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@@H](OC)[C@H](C)[C@H]([C@H](C)[C@H]5O[C@@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@H](OC)[C@@H]5C)O4)O3)O2)[C@@H]1C ZINC000255200143 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@@H]([C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@@H]5O[C@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@H](OC)[C@H]5C)O4)O3)O2)O[C@@H]1[C@H]1O[C@@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C ZINC000255200145 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@@H]([C@]2(C)CC[C@H]([C@@]3(C)CC[C@]4(C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H]5O[C@](O)([C@@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@@H]5C)O4)O3)O2)O[C@@H]1[C@@H]1O[C@](C)(O)[C@@H](C)[C@H](OC)[C@H]1C ZINC000255200146 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@@H]([C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](OC)[C@@H](C)[C@H]([C@H](C)[C@H]5O[C@@](O)([C@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@@H]5C)O4)O3)O2)O[C@@H]1[C@@H]1O[C@](C)(O)[C@@H](C)[C@@H](OC)[C@H]1C ZINC000255200147 KK Annotated Anodyne CO[C@H]1C[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@@]32C)CO1 ZINC000255200150 KK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)C(C)(C)[C@@H]3CC[C@]12C ZINC000255200197 KK Annotated Mild C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)/C=C/C=C\CCCCC)C[C@H]1C ZINC000255200199 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@H]1C ZINC000255200200 KK Annotated Anodyne C=C/C(C)=C\C[C@]1(C)[C@@H](C)C[C@H](OC(=O)/C=C/C=C\CCCCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000255200201 KK Annotated Anodyne C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@H]3CC[C@]12C ZINC000255200207 KK 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/C(=O)[C@]2(C)CC(=O)C[C@@]2(C)CO)CO)C(C)(C)C[C@H](O)C1 ZINC000255200211 KK Annotated Mild C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)OC(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255200214 KK Annotated Mild CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@@H]1C/C(C)=C/C=C/CCC[C@H](OC(N)=O)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C(=O)O1 ZINC000255200221 KK Annotated Anodyne CCCCOC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@@H]2[C@H](C)C[C@](O)([C@H](C)[C@@H](C)C(=O)O)O[C@H](C3)[C@]21C ZINC000255200236 KK Annotated Anodyne CCOC[C@@H](CC[C@H](O)C(C)(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 ZINC000255200393 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/[C@H]1O[C@H]1/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000255200418 KK Annotated Anodyne CC(C)=CC[C@@H]1CC=C(COC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]2C(C)=CC[C@@H](C/C=C(\C)CO)C2(C)C)C1(C)C ZINC000255200476 KK Annotated Bother CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255200492 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255200495 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255200496 KK Annotated Anodyne CC/C=C(\C)C[C@H](C)[C@H](O)[C@H](C)[C@H]1O[C@]2(C[C@@H](OC)[C@@H]1C)O[C@H]([C@H](C)[C@H](O)[C@@H](C)/C=C\C=C\C=C/C=C/C=C\[C@H](CC(=O)O)OC)[C@H](C)C[C@H]2O ZINC000255200544 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@]2(C=C(C)C(=O)O2)C[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000255200548 KK Annotated Anodyne COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@H](C)CC(=O)[C@H](C)[C@@H](C)C(=O)OC)[C@@]1(C)[C@H](O)C3 ZINC000255200553 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1C[C@@]1(CS[C@@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)C1)C[C@H]2O ZINC000255200693 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](CC(=O)[C@]45C[C@@H]4O[C@@]7(CCC(C)(C)O7)[C@@H](C)[C@@H]4[C@]5(C)O)[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CC[C@](C)(O)CO2 ZINC000255200732 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)/C(=C/N/C=C5\C(=O)C(C)(C)[C@@H]6CC[C@]7(C)[C@H](CC[C@@H]8[C@@H]([C@@]9(C)CC[C@@H](C(C)(C)O)O9)CC[C@]87C)[C@@]56C)C(=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255200737 KK Annotated Mild C/C=C\[C@@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000255200745 KK Annotated Clean C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@H]2C[C@@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O ZINC000255200746 KK Annotated Clean CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H]([C@@H]5C[C@H](O)[C@@H]6O[C@H]5OC6(C)C)[C@]4(C)CC[C@H]23)C1(C)C ZINC000255200817 KK Annotated Anodyne C=C1CC[C@H](C/C=C(\C)CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(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=C/[C@@H]1C(=C)CC[C@H](C/C=C(\C)CO)C1(C)C ZINC000255200848 KK Annotated Mild COc1ccc(C(=O)O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5[C@H](O)C[C@]4(C)[C@@H]3[C@H](C)[C@@H](O)CCC(C)C)[C@@H]2OC(C)=O)cc1 ZINC000255200873 KK Annotated Anodyne COc1ccc(C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](O[C@@H]3C[C@H]4[C@H]5CC=C6C[C@@H](O)CC[C@@]6(C)[C@H]5[C@H](O)C[C@@]4(C)[C@@H]3[C@H](C)[C@H](O)CCC(C)C)O[C@H](C)[C@H]2O)cc1 ZINC000255200874 KK Annotated Anodyne CCO[C@]1(C)CC[C@H]2O[C@H]1CC/C(C)=C/[C@H]1C(=C(C)C[C@@H]3C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@]13C(=O)OC)[C@H](O)C[C@]2(C)O ZINC000255200884 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)CCc2ccc(O)c(O)c2)CC[C@]2(C)[C@H]3CC[C@H]4[C@](O)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)C[C@]3(C)CC[C@@H]12 ZINC000255200907 KK Annotated Clean CO[C@@H]1CC2=CC(=O)O[C@H]([C@@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)/C=C/C=C(\C)C1)[C@@H]2O ZINC000255200921 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1OC(=O)/C(CCCCCC)=C/c2csc(n2)[C@@H](C)[C@@H](O)C[C@H](O)/C=C/C=C\C[C@H](O)[C@H]1O ZINC000255200939 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3N(CC[C@@]34c3cccc(C[C@@H]5C6=Nc7ccccc7[C@@]67CCN6C[C@@H](CC)[C@@H]5C[C@H]67)c3N[C@@]14O)C[C@H]2CC ZINC000255200941 KK Annotated Mild CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5ccccc5c4CCN([C@@H]13)[C@@H]2CC(=O)C[C@@H]1[C@@H]2C[C@H](CC)[C@@H]3N1CCc1c([nH]c4ccccc14)[C@]3(C(=O)OC)C2 ZINC000255200953 KK Annotated Anodyne CO/C1=C\C=C\C=C\C=C\CCC[C@@H](OS(=O)(=O)O)[C@H](O)C(=O)[C@H](C)[C@H](O)CC[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H](C)[C@H](CC(C)C)OC1=O ZINC000255200954 KK Annotated Mild COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](COC(C)=O)([C@@H](OC(C)=O)[C@H](C)[C@@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(=O)c5ccccc5)C[C@]5(C)C[C@]43OC5=O)[C@H]2CC1=O ZINC000255200973 KK 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=C/C=C(C)/C=C/CC(C)(C)O[C@@H]2O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000255201000 KK Annotated Mild C[C@@H]1O[C@@H](OCc2ccccc2)[C@@H]2O[C@H](c3ccccc3)O[C@H]2[C@@H]1O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000255201001 KK Annotated Anodyne CC1=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/[C@H](O)C(C)(C)O[C@H]2O[C@@H](COC(=O)CCCCCCCCCCCC(C)C)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255201021 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C\N(C)C=O ZINC000255201027 KK Annotated Mild CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](/C=C/[C@H](C)O)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000255201039 KK Annotated Mild C[C@H]1CN2CC[C@@H]3[C@@H]4C=C(CC/C=C\CCC[C@H]1O)[C@H]1N(C[C@H](C)CCc5nc6c(O)cccc6c(CCN)c5/C=C\CC[C@@]31C2)C4 ZINC000255201056 KK Annotated Anodyne C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@@](O)(CC[C@H]4[C@@H]5OC(C)(C)[C@H]6C[C@H]7C(=C)Cc8c(Cl)cc9[nH]c(c5c9c8[C@H]67)[C@]43C)C2=C[C@H]1O ZINC000255201102 KK Annotated Mild CC(=O)OC[C@@H](C[C@@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)(C)O ZINC000255201104 KK Annotated Anodyne C=C(C[C@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC=C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C ZINC000255201109 KK Annotated Mild C=C(C[C@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC=C[C@@H](/C=C\CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C ZINC000255201110 KK Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000255201114 KK Annotated Anodyne CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](C6CC6)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000255201151 KK Annotated Mild 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Anodyne C=C(CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255205797 KK Annotated Mild CC[C@H](C(=O)O)[C@H]1O[C@@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@@H]2O[C@@]3(C=CC[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@H]2C)[C@H](C)C[C@@H]1C ZINC000255205808 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000255205827 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000255205829 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3CC[C@H]4[C@](C)(CO)[C@H](Nc5ccc(C=O)cc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255205858 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@@H](C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000255206039 KK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)C/C=C(\C)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@@]1(C)OC(C)=O ZINC000255206042 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000255206044 KK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)C/C=C(\C)CC[C@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@@]1(C)OC(C)=O ZINC000255206047 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C\[C@@H](C/C=C(/C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000255206049 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5O[C@@H](OCC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000255206069 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]2(O)C(C)(C)C[C@H](O)C[C@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000255206085 KK Annotated Bother CC(/C=C/C=C(\C)CC[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000255206105 KK Annotated Bother CCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(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)/C=C/C=C(C)/C=C/CC(C)(C)O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255206260 KK Annotated Mild C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000255206324 KK Annotated Mild C=C[C@@H](/C=C(\O)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)CC[C@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)C(=O)OC)C[C@@H](C)CC ZINC000255206343 KK Annotated Mild C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@@H]1C[C@@]23C(=O)[C@]1(C(C)C)C(=O)C(O)=C2[C@@]1(C)CCCC(C)(C)[C@@H]1[C@]3(O)C=O ZINC000255206369 KK Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@H]2/C=C/[C@@H]2O[C@H](CC(=O)O)C[C@H]([N+](C)(C)C)[C@H]2O)CC=C1C ZINC000255206613 KK Annotated Bother C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255206644 KK Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255206648 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(C)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255206675 KK Annotated Mild COC(=O)[C@]1(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@]23OC(=O)[C@@]4(CCC(C)(C)C[C@@H]24)[C@H](OC(C)=O)C[C@]31C ZINC000255206756 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](O)C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255206783 KK Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4cc(-c5cc6c(cc5OC)[C@]57CCN8C/C(=C/C)[C@H](CC[C@]85N6C)[C@@H]7C(=O)OC)c(OC)cc4N(C)[C@H]32)[C@H]1OC(C)=O ZINC000255206905 KK Annotated Clean CC(=O)C1=COC[C@@H]2[C@H]1C[C@@H]1c3c(c4ccc5c(c4n3C)C[C@H]3[C@@H]4C[C@@H]6c7c(c8ccccc8n7C)C[C@H]([C@@H]4CO[C@@]3(C)O5)N6C)C[C@H]2N1C ZINC000255206925 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@@H](C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255206946 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]4(C)[C@H](C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255206949 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]5(C)[C@H](C(C)=O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000255206952 KK Annotated Anodyne CO[C@H]1C[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)C(=CC[C@@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]5(C)[C@H](C(C)=O)CC[C@]56O)C4)C[C@@H]3OC)C[C@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255206955 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C(/C)C(C)C)[C@]4(C)[C@H](C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255206957 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@@H](O)[C@H](C)O2)[C@@H](C)O1 ZINC000255206959 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3[C@@H](OC)C[C@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C(/C)C(C)C)[C@]5(C)[C@H](C(C)=O)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000255206960 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 ZINC000255206961 KK Annotated Anodyne CC(=O)/C=C\C(\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C ZINC000255206964 KK Annotated Mild CC(=O)/C=C/C(=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O ZINC000255206965 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](/C1=C(\CCC=C(C)C)C(=O)O)[C@@H](O)C=C1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@H]3CC[C@@]12C ZINC000255207051 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2 ZINC000255207065 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255207205 KK Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N5[C@H]([C@@H]6[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(C(C)=O)[C@H]69)C/C7=C/C)OC[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000255207237 KK Annotated Anodyne C/C=C1\CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H]([C@@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CCN6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000255207240 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N(C(C)=O)[C@@H]3[C@H]([C@H]3OC[C@@H]5[C@H]6C[C@@H]7N(CC[C@@]78c7ccccc7N3[C@H]58)C/C6=C/C)[C@@H]1C[C@@H]24 ZINC000255207242 KK Annotated Anodyne C/C=C1\CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H]([C@@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CCN6C/C(=C\C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000255207244 KK Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H]([C@@H]3OC[C@H]5[C@@H]6N3c3ccccc3[C@@]63CCN6C/C(=C/C)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000255207247 KK Annotated Anodyne C/C=C1\CN2CC[C@]34c5ccccc5N5[C@H]([C@@H]6[C@@H]7N(C(C)=O)c8ccccc8[C@@]78CCN7C/C(=C/C)[C@@H]6C[C@H]78)OC[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000255207248 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@]23C[C@]2(CC[C@H]3C2=C[C@@H]([C@@H]3OC3(C)C)OC2=O)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@@H]12 ZINC000255207288 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255207447 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255207448 KK Annotated Anodyne CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H]([N+](C)(C)[O-])[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255207462 KK 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](OC(=O)CCCCCCC/C=C\C[C@H]5O[C@@H]5CCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255207463 KK Annotated Mild CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]3(O)CC[C@H]4[C@H]5[C@H](CC[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5OC(C)=O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255207581 KK Annotated Mild CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@H]1CO)O2 ZINC000255207599 KK Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](C)CN(C)[C@@H](c3c(O)c4c(c([C@H]5[C@@H]6[C@@H](C)CC[C@@H]6[C@@H](C)CN5C)c3O)O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)[C@H]12 ZINC000255207604 KK Annotated Clean C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255207623 KK Annotated Mild COc1ccc([C@H](NC(=O)/C(C)=C(/C)CC[C@@H](C)[C@H]2CCC3=C4CC[C@@H]5C[C@@H](OS(=O)(=O)O)CC[C@]5(C)[C@H]4CC[C@@]32C)C(=O)O)cc1 ZINC000255207635 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4ccnc(c14)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@+](C)([O-])CC2 ZINC000255207636 KK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H]1C(C)=CC[C@@H](C/C=C(\C)CO)C1(C)C ZINC000255207660 KK Annotated Bother C=C(C)[C@H](CC[C@@H](CO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255207661 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C=O)C[C@@H]1O[C@H](C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@@H]1[C@@H](O)O[C@H]2O ZINC000255207666 KK Annotated Reactive C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H]1O[C@H](C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@@H]1[C@@H](O)O[C@H]2O ZINC000255207667 KK Annotated Reactive COC(=O)[C@H](CC(=O)C[C@@](C)(O)CO)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC=C4C[C@@H](c5ccccc5)OC[C@]4(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255207683 KK Annotated Anodyne O=C[C@@]12CCCCCCC/C=C\CCCN3CC[C@@H]4[C@@H](CN5CCC/C=C\C/C=C\C=C\[C@H](O)[C@@H](O)[C@@]45[C@@H]31)C2 ZINC000255207727 KK Annotated Mild O=C[C@@]12CCCCCCC/C=C\CCCN3CC[C@@H]4[C@@H](CN5CCCC=CCC=CC=C[C@H](O)[C@@H](O)[C@@]45[C@@H]31)C2 ZINC000255207729 KK Annotated Mild COc1cc(/C=C/C(=O)OC[C@@]2(C)[C@H](O)[C@H](O)C[C@]3(C)[C@H]4CC[C@H]5[C@@](C)(CC[C@H]6[C@@](C)(CO)[C@H](O)CC[C@]56C)CC4=CC(=O)[C@@H]23)ccc1O ZINC000255207743 KK Annotated Mild CO[C@]1(C)CO[C@@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000255207748 KK Annotated Anodyne CO[C@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000255207751 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1CC=C[C@@H]2O[C@@H]2C=C[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O1 ZINC000255207796 KK Annotated Anodyne C/C=C\[C@H](O)C(C)(C)[C@@H]1CC=C[C@@H]2O[C@@H]2C=C[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C\C)CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O1 ZINC000255207801 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255207806 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H]2O[C@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255207810 KK Annotated Anodyne C/C=C\[C@H](O)C(C)(C)[C@H]1CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)CC=C[C@@H]2O[C@@H]2C=C[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255207978 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@H]2O[C@H]2/C=C/C=C/c2nc(co2)C(=O)O1 ZINC000255207981 KK Annotated Anodyne C/C=C\[C@H](O)C(C)(C)[C@@H]1CC=C[C@@H]2O[C@@H]2C=C[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O1 ZINC000255207985 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4C=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000255207990 KK Annotated Mild C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000255208071 KK Annotated Anodyne COc1ccc([C@H](NC(=O)/C(C)=C\CC[C@@H](C)[C@H]2CCC3=C4CC[C@@H]5C[C@@H](OS(=O)(=O)O)CC[C@]5(C)[C@H]4CC[C@@]32C)C(=O)O)cc1 ZINC000255208144 KK Annotated Anodyne CN1CC[C@@]2(c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@H]3N(C)CC[C@@]43[C@@]34CCN(C)[C@@H]3Nc3c4cccc3[C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000255208165 KK Annotated Anodyne CC1=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)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000255208450 KK Annotated Mild C/C=C1\C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C/C7=C/C)c7ccccc7N7C=C([C@H]1C[C@@H]32)[C@]54O[C@@]679 ZINC000255208451 KK Annotated Bother C/C=C1/C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C/C7=C/C)c7ccccc7N7C=C([C@H]1C[C@@H]32)[C@]54O[C@@]679 ZINC000255208452 KK Annotated Bother CN[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)[C@H](O)C[C@@]45C[C@@]35CC[C@]12C ZINC000255208453 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]13)C(=O)[C@]21CCC2=C(O1)[C@]13CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]1[C@H](OC(C)=O)C[C@@]2(O)C3 ZINC000255208465 KK Annotated Anodyne CO[C@H]1O[C@H](C=C(C)C)[C@@H](O)[C@@H]1[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255208467 KK Annotated Anodyne CC/C=C\C=C/CCC[C@@H]1O[C@H]1C#CC#CCCC(=O)OCC(COC(=O)CCC#CC#C[C@@H]1O[C@H]1CCC/C=C\C=C/CC)OC(=O)CCC#CC#C[C@@H]1O[C@H]1CCC/C=C\C=C/CC ZINC000255208533 KK Annotated Mild C/C=C1\CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(C/C7=C\C)[C@@H](C7=C[C@@H]9[C@@H]%10N(C7=O)c7ccccc7[C@@]%107CCN%10C/C(=C\C)[C@@H]9C[C@H]%107)C[C@@]87c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]67 ZINC000255208541 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(C/C7=C/C)[C@@H](C7=C[C@@H]9[C@@H]%10N(C7=O)c7ccccc7[C@@]%107CCN%10C/C(=C/C)[C@@H]9C[C@H]%107)C[C@@]87c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]67 ZINC000255208542 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@]1(CS[C@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)C1)[C@H]2O ZINC000255208561 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@@]1(CS[C@@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@H]3O)C1)[C@@H]2O ZINC000255208562 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@]1(C[C@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)CS1)[C@@H]2O ZINC000255208563 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@@]1(CS[C@@]3(CC[C@@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)C1)[C@H]2O ZINC000255208564 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)OC)C(C)=CC[C@@H]2C1(C)C ZINC000255208577 KK Annotated Anodyne CC(=O)O[C@H]1CO[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@H]5C(=CC[C@H]6C(C)(C)[C@@H](OC(C)=O)CC[C@]56C)C[C@]4(C)CC[C@H]3C2(C)C)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000255208585 KK Annotated Anodyne CCCC[C@H](CC[C@H](O)CC[C@H](C)[C@H](O)C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)[C@H](O)C/C=C(C)/C=C/C(=O)CC ZINC000255208588 KK Annotated Mild CCCC[C@H](CC[C@H](O)CC[C@H](C)[C@H](O)C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)[C@H](O)C/C=C(C)/C=C\C(=O)CC ZINC000255208589 KK Annotated Mild CCCC[C@H](CC[C@H](O)CC[C@H](C)[C@H](O)C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)[C@H](O)C/C=C(C)/C=C\C(=O)CC ZINC000255208590 KK Annotated Mild CCCC[C@H](CC[C@H](O)CC[C@H](C)[C@H](O)C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)[C@H](O)C/C=C(C)/C=C/C(=O)CC ZINC000255208591 KK 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=C\[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255208600 KK Annotated Bother 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255208601 KK Annotated Bother 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=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255208602 KK Annotated Bother 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255208603 KK Annotated Bother 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=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255208604 KK Annotated Bother 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=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000255208605 KK Annotated Bother 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255208606 KK Annotated Bother 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255208607 KK Annotated Bother 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=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255208608 KK Annotated Bother 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255208609 KK Annotated Bother 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=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255208610 KK Annotated Bother 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255208611 KK Annotated Bother CC[C@@]12C[C@@]3(CC4=C5N(C3)c3ccccc3[C@@]53CCN5C[C@H]6O[C@H]6[C@@](CC)(C4)[C@H]53)C3=Nc4ccccc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000255208638 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@@H](OC)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC[C@@H]32)[C@@]2(O)CC[C@H](C(C)=O)[C@@H]12 ZINC000255208657 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@H](OC)[C@H](O[C@H]7C[C@H](OC)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC[C@@H]32)[C@@]2(O)CC[C@H](C(C)=O)[C@@H]12 ZINC000255208658 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=C[C@@H](O)[C@H]8[C@@]7(C)CC[C@@]7(C)[C@@H]9C[C@](C)(C(=O)OC)CC[C@]9(C)CC[C@]87C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255208700 KK Annotated Mild CO[C@@H](/C(C)=C/C=C/C(C)=C\c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C/C(=O)O1 ZINC000255208711 KK Annotated Anodyne CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C[C@H](CC(=O)O)C/C=C/C(=O)O1 ZINC000255208712 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000255208737 KK Annotated Mild CO[C@H]1/C=C(C)/C=C/[C@@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255208741 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000255208742 KK Annotated Anodyne in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](OS(=O)(=O)O)C1 ZINC000255208781 KK Annotated Mild CC[C@H](C(=O)O)[C@@H]1O[C@@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=CC(=O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C ZINC000255208790 KK Annotated Mild CC[C@H](C(=O)O)[C@H]1O[C@@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(C=CC(=O)[C@@]4(CC[C@@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)[C@H](C)C[C@@H]1C ZINC000255208791 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C\N(C)C=O ZINC000255208796 KK Annotated Mild CC(=O)OC[C@]12CC[C@H](C(C)(C)O)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@]21C ZINC000255208819 KK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](OC(=O)CC(=O)O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255208820 KK Annotated Mild C/C=C1/C[N@+](C)([O-])[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255208833 KK Annotated Bother C/C=C1\C[N@@+](C)([O-])[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000255208834 KK Annotated Bother C/C=C1/C[N@@+](C)([O-])[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000255208835 KK Annotated Bother C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@H](O)CCC/C=C/C(=O)O1 ZINC000255208857 KK Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H]2OC[C@@]3(C)[C@@H]2[C@]1(C)[C@@H](OC(=O)/C=C/c1ccccc1)C[C@H]3O ZINC000255208864 KK Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](O)C[C@H](OC(=O)/C=C\c4ccccc4)[C@@]1(C)[C@@H]23 ZINC000255208865 KK Annotated Anodyne C1CCN2C[C@H]3C[C@H]([C@@H]4CCCN5[C@@H]6N[C@@H](CC[C@H]6[C@H]6CCC[C@@H]([C@@]78C[C@@H](C[C@H]9CCCN[C@@H]97)[C@H]7CCCCN7C8)N6)[C@H]3[C@H]45)[C@@H]2C1 ZINC000255208909 KK Annotated Anodyne CO[C@@H]1CC[C@@H](O[C@@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C ZINC000255208995 KK Annotated Mild C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255209014 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255209015 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]3(O)C[C@H](OC)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255209018 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000255209055 KK Annotated Anodyne C/C=C1/CN2COC[C@]3(C(=O)OC)[C@H]1C[C@H](c1cc4c5c([nH]c4cc1OC)[C@]1(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]1N(CC5)C4)c1[nH]c4ccccc4c1C[C@H]23 ZINC000255209062 KK Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H]([C@H]5CO[C@@H]([C@@](C)(O)CO)[C@H](O)C5)[C@]4(C)CC[C@H]23)C1(C)C ZINC000255209078 KK Annotated Anodyne CC(/C=C/C=C(/C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255209080 KK Annotated Mild COc1cc2c(cc1C[C@@H]1[C@@H]3C[C@H]4c5c(c6ccccc6n5C)C[C@@H]([C@@H]3CO[C@]1(C)OC)N4C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000255209088 KK Annotated Mild C=C(C)CCC[C@@H](C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255209097 KK Annotated Mild CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000255209117 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209146 KK Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@H]3C=C[C@]21C)OC(C)=O ZINC000255209151 KK Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@H]3C=C[C@]21C)OC(C)=O ZINC000255209152 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255209158 KK Annotated Anodyne CSC(=O)[C@H](OC(C)=O)[C@@]12O[C@@H]([C@@H](C)[C@@H]3CC[C@@H]4[C@@H]5[C@H](CC[C@@]34C)[C@]3(C)C=CC(=O)C=C3C[C@H]5OC(C)=O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255209199 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(CO)[C@@H]([C@H](C)[C@H](CC=C(C)C)OC(C)=O)[C@@H](O)C[C@@]2(C)C2=C1[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]2OC(C)=O ZINC000255209201 KK Annotated Anodyne CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](CC)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1 ZINC000255209247 KK Annotated Mild CC1=C[C@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H]1O ZINC000255209297 KK Annotated Bother 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=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000255209316 KK Annotated Bother CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2O)C1(C)C ZINC000255209317 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@H]1CC/C(C=O)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000255209325 KK Annotated Reactive C=C1[C@@H](O)CC[C@@]2(C)[C@@H]1[C@H](O)[C@H](OC(=O)c1ccc(O)cc1)[C@]1(C)[C@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](C(=C)C)[C@H]3CC[C@]21C ZINC000255209336 KK Annotated Mild CO[C@H]1C[C@H](O[C@@H]2C(C)=CC[C@@H]3C[C@@H](C[C@]4(C[C@H](O)[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)c3cc(C)c(O)cc3C(C)=CC=C[C@@H]2C)O[C@@H](C)[C@@H]1O ZINC000255209370 KK Annotated Anodyne C=C(C)[C@H]1CC[C@@H](C)C2=C(C1)[C@]1(C)Oc3c(cc4c(c3C)C=C[C@H]3[C@@]4(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)OC)CC[C@]5(C)CC[C@]34C)O[C@@H]1C2 ZINC000255209376 KK Annotated Mild C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@@]1(C)Oc3c(cc4c(c3C)C=C[C@H]3[C@@]4(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)OC)CC[C@]5(C)CC[C@]34C)O[C@H]1C2 ZINC000255209377 KK Annotated Mild CC/C=C/[C@H]1CC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCC[C@H]5O[C@@](O)(CCN)[C@@H](O)N(CCCN)C5=O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000255209418 KK Annotated Anodyne CC/C=C\[C@H]1CC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCC[C@H]5O[C@@](O)(CCN)[C@@H](O)N(CCCN)C5=O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000255209419 KK Annotated Anodyne CC1=CCC[C@@]2(C)C[C@@H]3OC(=O)[C@]4(C[C@@H]5C[C@@]4(C)C4=C5[C@@H](C)CC[C@H]5[C@@H](C(C)C)CC[C@]5(C)C4)[C@@H]3C[C@H]12 ZINC000255209428 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)c5cccnc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255209435 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC[C@H](C)CCOC(C)=O)C(C)=CC[C@@H]2C1(C)C ZINC000255209466 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@@]2(C)[C@H](CC[C@H](C)CCOC(C)=O)C(C)=CC[C@@H]2C1(C)C ZINC000255209467 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3=CC[C@@]21C)C(C)C ZINC000255209468 KK Annotated Anodyne CC[C@H]1/C=C/C(=O)O[C@@H]2C[C@]3(CC[C@H](C)[C@@H](C[C@H](O)[C@H](C)O)O3)O[C@H](CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H]1O)[C@H]2CCCO ZINC000255209470 KK Annotated Anodyne CO[C@]1(C)CO[C@@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccc8c(c7)OCO8)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000255209479 KK Annotated Anodyne CO[C@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccc8c(c7)OCO8)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000255209480 KK Annotated Anodyne C[C@@H]1O[C@@H](O[C@H]2CC[C@H](O[C@H]3[C@H](O)C[C@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@](C)(CC(=O)O)O[C@H]6CC[C@H](O[C@H]7CCC(=O)[C@H](C)O7)[C@H](C)O6)c(O)c4C5=O)O[C@@H]3C)O[C@H]2C)CCC1=O ZINC000255209493 KK Annotated Clean CC1=CC[C@@H](C/C=C(/C)CO)C(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=C/[C@@H]1C(C)=CC[C@@H](C/C=C(\C)CO)C1(C)C ZINC000255209508 KK Annotated Bother CC1=CC[C@@H](C/C=C(\C)CO)C(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=C/[C@@H]1C(C)=CC[C@@H](C/C=C(\C)CO)C1(C)C ZINC000255209509 KK Annotated Bother CC1=CC[C@H](C/C=C(\C)CO)C(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=C/[C@H]1C(C)=CC[C@H](C/C=C(\C)CO)C1(C)C ZINC000255209510 KK Annotated Bother CC1=CC[C@@H](C/C=C(\C)CO)C(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=C/[C@H]1C(C)=CC[C@H](C/C=C(\C)CO)C1(C)C ZINC000255209511 KK Annotated Bother CC1=CC[C@@H](C/C=C(/C)CO)C(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=C/[C@@H]1C(C)=CC[C@@H](C/C=C(/C)CO)C1(C)C ZINC000255209512 KK Annotated Bother CCO[C@@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](O)C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255209530 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@@H](C(=O)OC)[C@H](OC(=O)c6ccc(OC)c(OC)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000255209548 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C(\C)[C@]3(O)C[C@H](O)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255209564 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=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 ZINC000255209568 KK Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H](C)[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@@](C)(OC(=O)C(C)C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000255209575 KK Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C)[C@]2(O)CC1=O)O[C@@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000255209618 KK Annotated Mild C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255209630 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255209631 KK 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=C(C)/C=C\C=C(/C)C=O ZINC000255209676 KK 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=C(C)/C=C/C=C(/C)C=O ZINC000255209677 KK 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=C(C)/C=C\C=C(\C)C=O ZINC000255209678 KK Annotated Reactive CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O ZINC000255209692 KK Annotated Mild CC(=O)O[C@@H](C/C=C(/C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O ZINC000255209693 KK Annotated Mild CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@H](CC)CCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000255209720 KK Annotated Anodyne CC/C=C\[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@H](CC)CCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000255209721 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](O[C@@H]2CC[C@@](C)(OC(C)=O)[C@H](CC/C(C)=C/C[C@H](/C=C(\C)[C@H](C[C@@H]3C(C)=CCC(=O)C3(C)C)OC(C)=O)OC(C)=O)C2(C)C)[C@@H](O)[C@H](O)[C@H]1O ZINC000255209749 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CC[C@@](C)(OC(C)=O)[C@H](CC/C(C)=C/C[C@H](/C=C(\C)[C@H](C[C@@H]3C(C)=CCC(=O)C3(C)C)OC(C)=O)OC(C)=O)C2(C)C)[C@H](O)[C@@H](O)[C@H]1O ZINC000255209750 KK 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](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255209782 KK Annotated Mild CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@H]4[C@H](OC(C)=O)C=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O ZINC000255209784 KK Annotated Mild CC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](OC(C)=O)C=C5CC=CC(=O)[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O ZINC000255209785 KK Annotated Mild CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)c4ccccc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)c6ccccc6)CC[C@]54O)C3)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255209795 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O)C(C)(C)O ZINC000255209796 KK Annotated Bother C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H]2O[C@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255209797 KK Annotated Anodyne C/C=C\[C@H](O)C(C)(C)[C@@H]1CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)CC=CC=CC=C[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209798 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\C=C\C=C\[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209799 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@H]2O[C@H]2/C=C/C=C/c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209800 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209801 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/C=C\C=C\[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209802 KK Annotated Anodyne C/C=C\[C@H](O)C(C)(C)[C@@H]1CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C\C)CC=CC=CC=C[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209803 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@H]2O[C@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255209804 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209805 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)CC=CC=CC=C[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255209806 KK Annotated Anodyne C/C=C\[C@H](O)C(C)(C)[C@H]1CC=CC=CC=C[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)CC=C[C@H]2O[C@H]2C=CC=Cc2nc(co2)C(=O)O1 ZINC000255209807 KK Annotated Anodyne CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000255209809 KK Annotated Anodyne C1CN[C@@H]2[C@@H](C1)C[C@@H]1C[C@]2([C@H]2CCC[C@H]([C@H]3CC[C@H]4N[C@@H]3[C@]35C[C@H](C[C@@H]6CCCN4[C@H]63)[C@H]3CCCCN3C5)N2)CN2CCCC[C@H]12 ZINC000255209810 KK Annotated Anodyne Cc1c2c(cc3c1C(=O)C[C@@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255209831 KK Annotated Mild Cc1c2c(cc3c1C(=O)C[C@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255209832 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@@H](O1)C(=O)[C@@]1(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000255209848 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(O)Oc7c(cc8c(c7C)C(=O)C=C7[C@@]9(C)CC[C@@]%10(C)CC[C@@](C)(C(=O)OC)C[C@H]%10[C@]9(C)CC[C@]78C)O[C@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255209857 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC=C8[C@@]9(C)CC[C@@]%10(C)CC[C@@](C)(C(=O)OC)C[C@H]%10[C@]9(C)CC[C@@]78C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000255209858 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(O)Oc7c(cc8c(c7C)C(=O)C=C7[C@@]9(C)CC[C@@]%10(C)CC[C@@](C)(C(=O)OC)C[C@H]%10[C@]9(C)CC[C@]78C)O[C@@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255209859 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255209870 KK Annotated Mild CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255209875 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5c([C@H]6C[C@H]7[C@@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000255209876 KK Annotated Anodyne CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255209877 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255209878 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]1/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)\C=C\C(=O)O)C(C)(C)C[C@@]2(C)O ZINC000255209880 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]1/C=C\C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C\C(=O)O)C(C)(C)C[C@@]2(C)O ZINC000255209881 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]1/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)(C)C[C@@]2(C)O ZINC000255209882 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]1/C=C\C=C\C=C\[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)(C)C[C@@]2(C)O ZINC000255209883 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]1/C=C\C=C\C=C\[C@H](O)[C@H](C)[C@H](O)C/C=C(C)\C=C\C(=O)O)C(C)(C)C[C@@]2(C)O ZINC000255209884 KK Annotated Anodyne CC1=C[C@@H]2[C@@H]([C@@H]([C@H](O)c3ccc(O)cc3)[C@@H]1/C=C\C=C\C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)(C)C[C@@]2(C)O ZINC000255209885 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)[C@]5(C)O[C@@H]5C[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255209924 KK Annotated Mild CC[C@H](C)[C@@H](O)C(=O)OC[C@@]1(C)OC(=O)C[C@H](OC(C)=O)[C@@]2(C)[C@H]1C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000255209959 KK Annotated Anodyne CO[C@H]1O[C@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OCc2ccccc2)[C@H]1O[C@@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000255210020 KK Annotated Anodyne C[C@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(CC[C@@H](NC(=O)c6ccccc6)[C@]4(C)CO)C[C@]35CC[C@]12C)N(C)C ZINC000255210049 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255210053 KK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255210352 KK Annotated Anodyne CCC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(CC)=C[C@H]3[C@@H]2CC(=O)O1 ZINC000255210384 KK Annotated Mild CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3c([C@]56CCN(C)[C@H]5Nc5c([C@]78CCN(C)[C@H]7Nc7c([C@]9%10CCN(C)[C@H]9Nc9ccccc9%10)cccc78)cccc56)cccc34)c3ccccc3N[C@@H]12 ZINC000255210393 KK Annotated Anodyne CN1CC[C@@]2(c3cccc4c3N[C@@H]3N(C)CC[C@]43c3cccc4c3N[C@H]3N(C)CC[C@@]43c3cccc4c3N[C@H]3N(C)CC[C@@]43[C@]34CCN(C)[C@H]3Nc3ccccc34)c3ccccc3N[C@@H]12 ZINC000255210394 KK Annotated Anodyne CCO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255210416 KK Annotated Anodyne CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@@H]2/C=C\C=C\c3coc(n3)[C@@H](C)[C@H](O)C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C\C=C\C=C/C(C)=C/[C@H]2C)[C@@H]1OC ZINC000255210909 KK Annotated Anodyne C=C(C[C@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC(C)=C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C ZINC000255210923 KK Annotated Mild C=C(C[C@]12C[C@@H](C)C[C@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC(C)=C[C@@H](/C=C\CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C ZINC000255210924 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](Cc5cn(C)cn5)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000255210968 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000255211238 KK 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=C/C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000255211244 KK 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=C/C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000255211247 KK 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=C/C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000255211250 KK 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=C\C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000255211252 KK Annotated Bother C=C/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255211254 KK Annotated Mild CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@@]1(C3)O[C@H](C)[C@@H](C)[C@H](OC(=O)[C@H](C)CC(C)C)[C@H]1O ZINC000255211340 KK Annotated Anodyne C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@@H]1[C@@H](OS(=O)(=O)O)C3)OC(=O)c1nc(-c2ccc(O)cc2)c[nH]1 ZINC000255211392 KK Annotated Mild CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)[C@H]3C[C@@]4(C)O[C@@](c5cccnc5)(O3)OC4(C)C)[C@@H]21 ZINC000255211404 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(O)Oc7cc8c(c(C)c7O[C@@]56C)[C@@H](OC)C[C@H]5[C@@]8(C)CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)OC)CC[C@]7(C)CC[C@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255211411 KK Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CCC(C)(C)[C@H](O)[C@H]5CC[C@]4(C)[C@@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O ZINC000255211422 KK Annotated Anodyne C[C@H]([C@H]1C[C@@H]2C[C@@](C)(OC2(C)C)[C@H](CC[C@@H](C)[C@H]2CC[C@H]3C4=C(CC[C@@]32C)[C@@]23CC[C@@](O)(OC2)C(C)(C)C3=CC4)O1)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]12CO[C@@](O)([C@@H](O)C1)C(C)(C)[C@@H]2[C@@H](OS(=O)(=O)O)C3 ZINC000255211424 KK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255211469 KK Annotated Mild C=C(C)[C@@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255211470 KK Annotated Mild C[C@H]([C@H]1C[C@@H]2C[C@@](C)(OC2(C)C)[C@H](CC[C@@H](C)[C@H]2CC[C@@H]3C4=C(CC[C@@]32C)[C@]23CO[C@](O)([C@@H](O)C2)C(C)(C)C3=CC4)O1)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)C[C@H](O)C(=O)C(C)(C)[C@@H]1[C@@H](OS(=O)(=O)O)C3 ZINC000255211500 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12 ZINC000255211526 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12 ZINC000255211527 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12 ZINC000255211528 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(SC)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](CC(=O)O)[C@@H]1C ZINC000255211533 KK Annotated Anodyne CCO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)/C=C/c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255211576 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)CS[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@H]1O)C3 ZINC000255211629 KK Annotated Anodyne C[C@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@@H](C)CC[C@H](c4ccoc4)N2[C@@H]1O)C3 ZINC000255211630 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@H]1O)C3 ZINC000255211631 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255211684 KK Annotated Bother CC(=O)OC[C@]12[C@@H](CCC[C@@]13CO3)[C@](C)([C@H]1C[C@H]3C[C@@H](O[C@@H]4C[C@@H]5C[C@H]([C@]6(C)[C@@H](C)C[C@@H](OC(C)=O)[C@@]7(COC(C)=O)[C@H]6CCC[C@@]76CO6)O[C@@H]5O4)O[C@H]3O1)[C@@H](C)C[C@H]2OC(C)=O ZINC000255211697 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@@H](O)C(COC(=O)c5ccc[nH]5)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000255211722 KK Annotated Anodyne C=C(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4C[C@@H](OC(=O)CCCCCCCCCCCCCCCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C)CC ZINC000255211796 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@@]2(C=CC[C@@]3(O[C@](CC)([C@H]4CC[C@@](C)([C@@H](C)O)O4)C[C@H]3C)O2)[C@H](C)C[C@@H]1C ZINC000255211810 KK Annotated Anodyne CO[C@@H]1C[C@H](C)O[C@H](CC[C@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C(C)=C/C[C@H](O)C[C@@H]3C=CC[C@@H](C[C@@H](OC)[C@H](C)[C@@H](O)C[C@H](O)[C@H]2C)O3)C1 ZINC000255211811 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)/C=C\c1ccccc1)[C@@]1(C)C3=C(C)[C@@H](c4ccoc4)C[C@H]3OCC[C@@H]12 ZINC000255211815 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(C)C3=C(C)[C@@H](c4ccoc4)C[C@H]3OCC[C@@H]12 ZINC000255211816 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@]2(C)[C@@H]3CCO[C@H]4C[C@H](c5ccoc5)C(C)=C4[C@]3(C)[C@H](OC(=O)/C=C/c3ccccc3)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255211817 KK Annotated Anodyne C/C=C1/CN2[C@H]3C[C@@H]1[C@@H](CO)[C@@H]2Cc1c3n(C)c2ccc([C@H]3C[C@H]4/C(=C\C)CN(C)[C@@H](Cc5c3[nH]c3ccccc53)[C@@H]4C(=O)OC)cc12 ZINC000255211818 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(c3)c3c(n4C)[C@H]4C[C@@H]5/C(=C\C)CN4[C@H](C3)[C@@H]5CO)C[C@H]1[C@@H]2C(=O)OC ZINC000255211819 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(c3)c3c(n4C)[C@@H]4C[C@H]5/C(=C\C)CN4[C@@H](C3)[C@@H]5CO)C[C@@H]1[C@@H]2C(=O)OC ZINC000255211820 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@H]2[C@H](C)[C@H](O)CC[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255211829 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@@]2(C[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)C[C@@H]1C ZINC000255211863 KK Annotated Anodyne COc1cc2c(cc1[C@H](C)[C@H]1[C@H](O)OC[C@H]3[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@@H]13)[N+]4(C)C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)[N+]2(C)C ZINC000255211893 KK Annotated Mild CC(=O)O[C@H](/C=C(\C)CC[C@@H]1C(C)=CCC(=O)C1(C)C)C/C=C(\C)CC[C@@H]1C(C)(C)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@@]1(C)OC(C)=O ZINC000255211894 KK Annotated Anodyne CC(=O)O[C@H](/C=C(\C)CC[C@@H]1C(C)=CCC(=O)C1(C)C)C/C=C(\C)CC[C@@H]1C(C)(C)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]1(C)OC(C)=O ZINC000255211895 KK Annotated Anodyne CCO[C@@]1(C)C[C@@H](O)C2=C(C)C[C@@H]3C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@]3(C(=O)OC)[C@H]2/C=C(\C)CC[C@@H](O)[C@]2(C)CC[C@H]1O2 ZINC000255211926 KK 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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000255211930 KK Annotated Mild C=C1C[C@H](C[C@@H]2C(C)=CCC[C@@H]2/C(C)=C/C[C@@H]2C(=C)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]32C)[C@@]2(C)CCC[C@@](C)(C(=O)O)[C@@H]2C1 ZINC000255211933 KK Annotated Mild COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CCC2=C(CC[C@@H]4C(C)(C)[C@@H]5CC[C@@]4(C2)O5)[C@]1(C)[C@H]3O ZINC000255211945 KK Annotated Anodyne CCO[C@]1(C)CC[C@H]2O[C@H]1CC/C(C)=C/[C@H]1/C(=C\C[C@]2(C)O)C(C)=C[C@@H]2C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@@]21C(=O)OC ZINC000255211947 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)[C@@H](OC(C)=O)O1)C(C)(C)O ZINC000255211954 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)CCC[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000255211979 KK Annotated Mild C/C=C1/C[C@H]2CC[C@H](c3ccc4c(c3)[C@@]35CCN6C[C@H]7O[C@H]7[C@@](CC)(CC[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3[C@@H]1[C@@](CO)(C(=O)OC)N2C ZINC000255211987 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O ZINC000255212043 KK Annotated Anodyne C=C[C@@H](/C=C(\O)[C@H](O)[C@@H](C)/C=C/[C@H](O)[C@H](C)CC[C@H](O)[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)C(=O)O)C[C@@H](C)CC ZINC000255212067 KK Annotated Mild CO[C@H]1C2=CC(=O)O[C@@H]([C@H]2O)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H]1OC ZINC000255212083 KK Annotated Anodyne CO[C@H]1C2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H]1OC ZINC000255212084 KK Annotated Anodyne CO[C@H]1[C@H](O)[C@H](O[C@@H](/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/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)O)O[C@@H](C)[C@H]1O ZINC000255212128 KK Annotated Bother CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC=C4[C@@H](CC[C@@]5(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@H]45)[C@]3(C)C[C@@H](O)[C@H]2C1(C)C ZINC000255212130 KK Annotated Anodyne C[C@@H]1O[C@H](O[C@@H]2[C@@H](C)O[C@@H](OCc3ccccc3)[C@@H]3OC(C)(C)O[C@H]23)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O[C@H]1O[C@@H](C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000255212132 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@]45C[C@]35CC[C@]2(C)[C@H]1[C@H](C)[C@@H](OC(C)=O)C(=O)C=C(C)C ZINC000255212156 KK Annotated Mild CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](CC)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1 ZINC000255212172 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)[C@@H]4O[C@@]42C1)[C@@H]1CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC3 ZINC000255212438 KK Annotated Anodyne C[C@@H](CC[C@H](O)[C@@](C)(O)CO)[C@]1(O)CC[C@]2(C)C3=C(CC[C@]21C)[C@@]1(C)CC[C@@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]1CC3 ZINC000255212477 KK Annotated Anodyne C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2[C@H](OC(=O)[C@H](O)C(C)C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000255212483 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@@]2(C[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)[C@H](O)[C@@H](OC(=O)C(C)C)[C@@H]1C ZINC000255212490 KK Annotated Anodyne CO[C@H]1[C@@]23O[C@H](C(C)(C)O)[C@@H](C[C@@H](C)[C@@H]2[C@@]2(C)CC[C@@]45C[C@@]46CC[C@H](O)C(C)(C)[C@@H]6CC[C@H]5[C@]12C)O3 ZINC000255212816 KK Annotated Anodyne COC(C)(C)CCC[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC(=O)[C@H]13 ZINC000255212932 KK 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)\C=C\C=C(/C)C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(=O)CCCCCCCCCCC(C)C ZINC000255212936 KK Annotated Bother C/C=C1/CN2CC[C@@]34c5cc6oc7cc8c(cc7c6cc5N(C)[C@@]23CC[C@@H]1[C@H]4C(=O)OC)[C@]12CCN3C[C@]4(O[C@@H]4C)[C@H](CC[C@]31N8)[C@H]2C(=O)OC ZINC000255212981 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](OC(C)=O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255212995 KK Annotated Mild CO[C@@H]1C[C@@H](C[C@H](O)CC[C@H](C)/C=C(/C)C(=O)O)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](CO)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000255213007 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H](O)CC[C@H](C)/C=C(\C)C(=O)O)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](CO)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000255213008 KK Annotated Anodyne COC(C)(C)CCC(=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(/C)CCCC(C)(C)O ZINC000255213010 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4[C@@H](O)C[C@]32C)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@H]12 ZINC000255213180 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4[C@@H](O)C[C@]32C)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@H]12 ZINC000255213181 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CCc3c(cc4c5c3[C@H](O)C[C@@H]5[C@H](C)[C@]3(O4)OC(C)(C)C[C@H]3O)[C@@]1(C)C8)O[C@](C)(CO)C[C@H]2O ZINC000255213262 KK Annotated Anodyne C[C@H]1[C@@H](OC(=O)c2ccccc2)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)C[C@@H](C(=O)O)[C@@H]5CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255213322 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@H]2C[C@H]([C@H]3OC3(C)C)O[C@@H]2O)C1(C)C ZINC000255213328 KK Annotated Anodyne C=C(C)[C@H]1CC[C@]2(C)[C@H](C[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000255213340 KK Annotated Mild CC[C@H](O)[C@H](C)[C@H](O)C[C@H](O)[C@@H](O)/C=C(\C)C[C@H](C)[C@H]1C[C@@H](O)[C@@H](C)/C=C/C=C/C[C@H](C)C(=O)C[C@H]2CC[C@H](C)[C@@](O)(C/C=C(C)\C=C(/C)[C@H](O)C(=O)/C=C(\C)C(=O)O1)O2 ZINC000255213347 KK Annotated Mild C=C1C[C@@]23OC(=O)C/C=C/[C@H]4[C@H]5[C@H](/C=C/CC)[C@H]5[C@H](c5ccc(OC)cc5)[C@@H]4C(=O)OC[C@]2(C)[C@H]3[C@@H]2C=C(CO)C[C@@H]3C(=O)C(C)=C[C@H]3[C@@]12O ZINC000255213456 KK Annotated Mild CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@]4(C)C5=CC[C@@H](c6ccoc6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32 ZINC000255213458 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC(=O)[C@@H]2[C@@H]3C[C@@](C)(C=O)[C@@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@]21C ZINC000255213467 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@@H]3C[C@H]4C[C@H](C(C)=O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255213489 KK Annotated Anodyne C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(=O)C(C)C ZINC000255213506 KK Annotated Mild C/C(=C\[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3C[C@H](O[C@H]4CC[C@H](O)[C@@H](C)O4)[C@@H](C)[C@@]4(O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C)C(=O)[C@H](C)C[C@H](C)C(=O)O ZINC000255213533 KK Annotated Mild C=C/C=C(\C)[C@@H](O)CC[C@H](C)/C=C/[C@H]1CC[C@H](C)C(=O)CC(=O)N[C@H](C)CCC(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C(/C)C(=O)O1 ZINC000255213555 KK Annotated Anodyne C=C/C=C(\C)[C@H](O)CC[C@@H](C)/C=C/[C@H]1CC[C@H](C)C(=O)CC(=O)N[C@@H](C)CCC(=O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(/C)C(=O)O1 ZINC000255213556 KK Annotated Anodyne COc1ccc2cc3cccc(O[C@@H]4[C@@H](CO)O[C@@H](O[C@@H]5CC[C@@]6(C)C(=CCC7=C6CC[C@]6(C)[C@@H]([C@H](C)CCC[C@@H](C)C(=O)O)CC[C@@]76C)C5(C)C)[C@H](O)[C@H]4O)c3cc2c1OC ZINC000255213568 KK 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=C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000255213644 KK Annotated Bother CC(C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)[C@H](O)CO ZINC000255213659 KK Annotated Anodyne C=C(C(=O)O)[C@@H]1CC[C@@H](C)[C@]23CC=C(C)[C@]2(Oc2cc4c(c(C)c2O3)C=C[C@H]2[C@@]4(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]23C)[C@@H]1O ZINC000255213696 KK Annotated Mild CC1=C[C@@]2(C)/C=C(\C)CC/C=C(\C)[C@@H]3C(C)=C[C@@H]4[C@@H](O)CC[C@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)[C@@]2(C[C@H]1C)OC3=O ZINC000255213834 KK Annotated Mild COC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000255213836 KK Annotated Anodyne CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)[C@@H](C[C@]3(C)OC3(C)C)OC(C)=O)[C@]21C ZINC000255213964 KK Annotated Mild CO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](OC(=O)c1ccccc1)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@@]2(C)[C@@H]13 ZINC000255214109 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000255214110 KK Annotated Mild CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255214111 KK Annotated Anodyne C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccc([C@H]2C[C@H]3/C(=C\C)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@H]3C(=O)OC)cc14 ZINC000255214114 KK Annotated Reactive CC(/C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@H](O)CC1(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 ZINC000255214123 KK Annotated Mild CC(/C=C\C(=O)[C@]1(C)C[C@H](O)CC1(C)C)=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 ZINC000255214124 KK Annotated Mild CC(=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)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000255214125 KK Annotated Mild C=C[C@H]1[C@@H](/C=C/C=C/C=C/CCC)[C@@H]2/C=C\C(=O)OC[C@@]3(C)[C@@H]4[C@H]5C=C(CO)C[C@@]6(O)C(=O)C(C)=C[C@@H]6[C@]5(O)[C@@H](C)C[C@@]43OC(=O)C/C=C/C=C/[C@H]12 ZINC000255214126 KK Annotated Mild C=C[C@@H]1[C@H]2/C=C/C=C/CC(=O)O[C@@]34C[C@@H](C)[C@@]5(O)[C@@H](C=C(CO)C[C@]6(O)C(=O)C(C)=C[C@H]65)[C@@H]3[C@@]4(C)COC(=O)/C=C\[C@H]2[C@H]1/C=C/C=C/C=C/CCC ZINC000255214127 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)OC(=O)[C@@]1(C)[C@H]2CC[C@@]12C3=N[C@@H]4[C@@H](CC[C@]45CCC[C@@H]51)[C@]2(C)CC[C@@H]3C(C)C ZINC000255214141 KK Annotated Anodyne CCC1=C[C@H](CO)C[C@@H](C)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)C(=C3O)C(=O)[C@]2(CC)[C@H]1C(C)=C[C@@H]1[C@@H](O)CC(=O)[C@H](C)[C@H]12 ZINC000255214144 KK Annotated Mild CC/C1=C\[C@H](CO)C[C@@H](C)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)C(=C3O)C(=O)[C@]2(CC)[C@H]1C(C)=C[C@@H]1[C@@H](O)CC(=O)[C@H](C)[C@H]12 ZINC000255214145 KK Annotated Mild CO[C@H]1C[C@@]2(O)/C(CO)=C/C=C/[C@H](C)C/C(C)=C/C[C@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C)O4)O3)OC(=O)[C@@H]2C=C1C ZINC000255214146 KK Annotated Anodyne CO[C@@H]1C[C@@]2(O)/C(CO)=C/C=C/[C@H](C)C/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C)O4)O3)OC(=O)[C@@H]2C=C1C ZINC000255214147 KK Annotated Anodyne CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)NC)O2)C[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1 ZINC000255214171 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C\C=C(C)\C=C1\C=C(/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(=O)O1 ZINC000255214196 KK Annotated Bother C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255214202 KK Annotated Mild C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@H]1C[C@@]2(C(C)C)C(=O)C(O)=C3[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](C=O)[C@]31C2=O ZINC000255214204 KK Annotated Mild C/C1=C\C=C\C=C\C=C\c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C/C(C)=C/C=C/C=C/C=C/c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C1 ZINC000255214223 KK Annotated Anodyne C/C1=C\C=C\C=C\C=C\c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C/C(C)=C/C=C/C=C/C=C\c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C1 ZINC000255214224 KK Annotated Anodyne C/C1=C\C=C\C=C\C=C/c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C/C(C)=C/C=C/C=C/C=C\c2cccc(O)c2C(=O)O[C@@H](C[C@@H](C)O)C[C@@H](O)C/C=C/[C@@H](O)C[C@@H](O)C1 ZINC000255214225 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc(O[C@]67O[C@@]6(C)C6=CC=C8[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@@H]%10[C@]9(C)CC[C@@]8(C)C6=CC7=O)c(O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255214243 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](OC(C)=O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255214244 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000255214249 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000255214250 KK Annotated Anodyne C[C@H]1CC[C@H](c2ccco2)N2[C@@H](O)[C@]3(CC[C@H]12)CS[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccco4)N2[C@H]1O)C3 ZINC000255214263 KK Annotated Anodyne C=CC/C=C\C=C(C)/C=C/[C@@H]1OC(=O)C[C@@H](O)C[C@H](O)/C=C/CC(=C)C[C@@H](O)CC/C=C/C[C@H](O)/C=C/[C@H]1C ZINC000255214276 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H]([C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(=O)/C(C)=C/C)[C@]3(/C=C(\C)[C@H]1OC(=O)c1ccccc1)O4)C2(C)C ZINC000255214321 KK Annotated Anodyne CC1=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/[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1=O ZINC000255214355 KK Annotated Mild CC(=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C(C)=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 ZINC000255214356 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H]([C@H](O)C(C)(C)O)C3)[C@]12C ZINC000255214369 KK Annotated Mild C=C(C)[C@@H]1CC[C@H](C)[C@]23CC=C(C)[C@@]2(C1)Oc1cc2c(c(C)c1O3)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@]12C ZINC000255214420 KK Annotated Mild C=C(C)[C@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@]12C ZINC000255214421 KK Annotated Mild C=C(C)[C@H]1CC[C@@H](C)[C@]23CC=C(C)[C@@]2(C1)Oc1cc2c(c(C)c1O3)C=C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@]12C ZINC000255214422 KK Annotated Mild C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C=C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@]12C ZINC000255214423 KK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]45O[C@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255214441 KK Annotated Reactive CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](Cl)[C@]45O[C@H]4[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255214442 KK Annotated Reactive C=C[C@]1(C)CC[C@@]2(C)[C@@H]3C[C@@H]([C@@H](O)C(=O)[C@]4(C)C=C5CC[C@@H]6C(C)(C)CCC[C@@]6(C)[C@@H]5CC4)C(=O)C(=C)[C@]3(C)CC[C@@H]2C1 ZINC000255214443 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H]3O[C@@]4(C[C@H](C)C(C)(C)O4)[C@](C)(O)[C@@H]32)[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@H]12 ZINC000255214476 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1CC[C@]3(C)O[C@H](CCC(C)=C[C@@H]12)[C@@](C)(O)CC[C@@H]3O ZINC000255214495 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1CC[C@]3(C)O[C@H](CC/C(C)=C\[C@@H]12)[C@@](C)(O)CC[C@@H]3O ZINC000255214496 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1CC[C@]3(C)O[C@H](CC/C(C)=C/[C@@H]12)[C@@](C)(O)CC[C@@H]3O ZINC000255214497 KK Annotated Anodyne CC[C@H](O)[C@@H](C)/C=C/C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H]1OC(=O)/C(C)=C\C(C)=C\[C@H](C)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]1OC ZINC000255214552 KK Annotated Mild C=C1[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@]3(C2)[C@@H]1OC(=O)CC(=O)O[C@@H]1C(=C)[C@@H]2CC[C@H]3[C@]4(C)CCCC(C)(C)[C@H]4CC[C@@]31C2 ZINC000255214554 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@H]3C[C@@H]([C@H]4OC4(C)C)O[C@@H]3O)[C@]12C ZINC000255214559 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C\c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@H]3C[C@@H]([C@H]4OC4(C)C)O[C@@H]3O)[C@]12C ZINC000255214560 KK Annotated Anodyne CC(=O)O[C@H]1CC(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/C2=C(C)C(=O)[C@@H](OC(C)=O)CC2(C)C)=C(C)C1=O ZINC000255214662 KK Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](O)C[C@H](OC(=O)C(C)=C(C)C)[C@@]1(C)[C@@H]23 ZINC000255214674 KK Annotated Anodyne CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@]21C ZINC000255214700 KK Annotated Mild CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@]31C[C@@H]2C[C@@]1(C)C1=C2[C@@H](C)CC[C@H]2[C@@H](C(C)C)[C@H](O)C[C@]2(C)C1 ZINC000255214701 KK Annotated Anodyne C[C@H]1CC/C=C\C=C\CC[C@@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@]3(O2)O[B@@-]24O[C@H](C(=O)O1)[C@@]1(O[C@@H](CC[C@H]1C)[C@H](C)C(=O)C[C@@H](O)CC/C=C/C=C\CC[C@@H](C)OC(=O)[C@@H]3O2)O4 ZINC000255214713 KK Annotated Anodyne C[C@H]1CC/C=C\C=C\CC[C@@H](O)CC(=O)[C@@H](C)[C@@H]2CC[C@@H](C)[C@]3(O2)O[B@-]24O[C@H](C(=O)O1)[C@@]1(O[C@@H](CC[C@H]1C)[C@H](C)C(=O)C[C@@H](O)CC/C=C/C=C\CC[C@@H](C)OC(=O)[C@@H]3O2)O4 ZINC000255214714 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@@H](OC(N)=O)[C@@H](O)/C=C/[C@H](O)CCC/C=C/C(=O)O1 ZINC000255214730 KK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C ZINC000255214739 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](OC)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255214764 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H](OC)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255214765 KK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000255214779 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@H](OCC)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255214810 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@]53O)[C@@H]([C@@H]1O)[C@H]24 ZINC000255214816 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@](C)([C@H](C)/C=C\C=C(/C)C(=O)O)[C@]4(C)CC[C@@]32O)C1(C)C ZINC000255214821 KK Annotated Anodyne CC[C@]12C[C@]34CC(C(=O)OC)=C5Nc6ccccc6[C@@]5(CCN3[C@H]1[C@@H]1C[C@]3(CC)C=CCN5CC[C@@]6(c7ccccc7N[C@@]16O2)[C@@H]53)[C@@H]4O ZINC000255214829 KK Annotated Anodyne CC[C@]12C[C@]34CC(C(=O)OC)=C5Nc6ccccc6[C@@]5(CCN3[C@H]1[C@@H]1C[C@]3(CC)C=CCN5CC[C@@]6(c7ccccc7N[C@@]16O2)[C@@H]53)[C@H]4O ZINC000255214830 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H](C(C)(C)O)CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255215225 KK 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=C/C2=C(C)C[C@@H](O[C@@H]3O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000255215307 KK Annotated Bother C=CC1=C[C@@H]2[C@@H]3O[C@]4(C[C@H]5CCC[C@@]6(CC[C@@]7(O[C@@H](CC[C@@]7(C)O)CC(=C)CCCC7=NC[C@H](C)[C@@H](C)C[C@@]72CC1)O6)O5)C[C@@H](C)[C@@H](O)[C@H]3O4 ZINC000255215320 KK Annotated Mild CO[C@H]1O[C@H]([C@@H](C)[C@H]2C[C@H](OC(C)=O)[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)C4=CC[C@]23C)CC=C1C ZINC000255215349 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@@H](C)C[C@@H]1C ZINC000255215365 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O[C@@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000255215368 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)OC(=O)[C@]1(C)[C@@H]2CC[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1 ZINC000255215386 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)OC(=O)[C@@]1(C)[C@H]2CC[C@]12[C@@H]3CCC[C@@]34CC[C@@H]3CN4[C@@H]1[C@@H](C(C)C)CC[C@@]32C ZINC000255215387 KK Annotated Anodyne COc1cc(C(=O)N(C)[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc(OC)c1O ZINC000255215580 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@](C)(O)C[C@H](CC(C)C)O[C@@]45C[C@]23CO5)C1(C)C ZINC000255216306 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255216314 KK Annotated Anodyne CC1=CCC[C@@]2(C)C[C@@H]3OC(=O)[C@]4(C[C@@H]5C[C@@]4(C)C4=C5[C@@H](C)CC[C@H]5[C@@H](C(C)C)[C@H](O)C[C@]5(C)C4)[C@@H]3C[C@H]12 ZINC000255216322 KK Annotated Anodyne CC[C@H](O)C[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)C[C@H](O)[C@](C)(O)CCCCC/C=C/[C@H]3CC(C)(C)O[C@]3(O)C[C@@H](O2)[C@@H]1C ZINC000255216428 KK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](C)[C@H](C)[C@H]5C)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255216548 KK Annotated Anodyne CC(=O)O[C@H]1C/C(C)=C/CC/C(C)=C\C(=O)C[C@@]23C(=O)O[C@H]([C@H]1C(C)C)[C@@H]2CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@H](OC(C)=O)CC/C(C)=C/[C@H]13 ZINC000255216821 KK Annotated Mild CC(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/C(=O)C[C@@]23C(=O)O[C@H]([C@H]1C(C)C)[C@@H]2CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@H](OC(C)=O)CC/C(C)=C/[C@@H]13 ZINC000255216829 KK Annotated Mild CC(=O)O[C@H]1C/C(C)=C/CC/C(C)=C\C(=O)C[C@@]23C(=O)O[C@H]([C@H]1C(C)C)[C@@H]2CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@H](OC(C)=O)CC/C(C)=C/[C@@H]13 ZINC000255216834 KK Annotated Mild CC(=O)O[C@H]1C/C(C)=C/CC/C(C)=C/C(=O)C[C@@]23C(=O)O[C@H]([C@H]1C(C)C)[C@@H]2CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@@](C)(O2)[C@H](OC(C)=O)CC/C(C)=C/[C@H]13 ZINC000255216841 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)[C@H]2C[C@]2(C)[C@H](C)C(C)C)[C@@H]2C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]21 ZINC000255216875 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)[C@@H]2C[C@]2(C)[C@H](C)C(C)C)[C@@H]2C[C@@H](O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]21 ZINC000255216882 KK Annotated Anodyne CC[C@H](O)C[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@@H](C)[C@H](O)[C@H](O[C@H]3CC[C@@H](N(C)C)[C@H](C)O3)[C@@H](O)[C@@](C)(O)CCCCC/C=C/[C@H]3CC(C)(C)O[C@]3(OC)C[C@H](O2)[C@H]1C ZINC000255216947 KK Annotated Anodyne C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000255217486 KK Annotated Mild CC[C@@H]1CN2CC[C@@]34C5=C(C[C@]6(CN5c5ccccc53)C3=Nc5ccccc5[C@@]35CC[N@+]3([O-])C[C@@H](CC)[C@H]6C[C@@H]53)[C@@H]1C[C@@H]24 ZINC000255217489 KK Annotated Bother 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)CC1=C(C)C[C@H](O)C[C@]1(C)CO ZINC000255217589 KK Annotated Mild CC(C)=CC[C@H]([C@H]1O[C@@H]1/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)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O ZINC000255217648 KK Annotated Bother CC(C)=CC[C@H]([C@H]1O[C@@H]1/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)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O ZINC000255217655 KK Annotated Bother C=C(C[C@H]1O[C@]23OC[C@]4([C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@@]1(C)O)[C@H]3O)C(C)C ZINC000255217700 KK Annotated Mild CO[C@@H](/C=C/[C@](C)(OC)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C)C(C)(C)O ZINC000255217742 KK Annotated Anodyne CO[C@@H](/C=C/[C@@](C)(OC)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C)C(C)(C)O ZINC000255217745 KK Annotated Anodyne CCCCC[C@@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@@H](C)/C=C(\C)CCCC[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C/C=C(/C)[C@@H](O)CCC[C@H](O)CCC[C@H](O)CC[C@@H](C)[C@@H]1O ZINC000255217771 KK Annotated Anodyne CCCCC[C@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@H](C)/C=C(\C)CCCC[C@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C/C=C(\C)[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CC[C@H](C)[C@H]1O ZINC000255217775 KK Annotated Anodyne CCCCC[C@@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@@H](C)C=C(C)CCCC[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)CC=C(C)[C@@H](O)CCC[C@H](O)CCC[C@H](O)CC[C@@H](C)[C@@H]1O ZINC000255217781 KK Annotated Anodyne CC1=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/[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)[C@H]1O ZINC000255217817 KK 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=C/C=C(C)/C=C/[C@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)[C@H]1O ZINC000255217820 KK Annotated Bother C[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCC1=C[C@@H]2O[C@H]1[C@]13C(=O)OC[C@]14CC[C@@]1(C)O[C@H](c5ccoc5)C[C@]1(C)[C@H]4C=C[C@H]23 ZINC000255217962 KK Annotated Anodyne C[C@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCC1=C[C@@H]2O[C@H]1[C@]13C(=O)OC[C@]14CC[C@]1(C)O[C@@H](c5ccoc5)C[C@@]1(C)[C@@H]4C=C[C@H]23 ZINC000255217963 KK Annotated Anodyne CO[C@H]1C[C@H]2CC[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@]4(CC[C@H](C)[C@@H](C[C@@H](O)C[C@H](O)C[C@@H]5CCC[C@H](CC(=O)O[C@H]6C[C@@]7(O[C@H]6C/C=C\C/C=C\C[C@@H](O)C(=O)O)O[C@](CC[C@@H]7C)(C1)O2)O5)O4)CC[C@@H]3OC ZINC000255217970 KK Annotated Anodyne CO[C@H]1C[C@H]2CC[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@]4(CC[C@H](C)[C@@H](C[C@@H](O)C[C@H](O)C[C@@H]5CCC[C@H](CC(=O)O[C@H]6C[C@@]7(O[C@H]6C/C=C\C/C=C/C[C@@H](O)C(=O)O)O[C@](CC[C@@H]7C)(C1)O2)O5)O4)CC[C@@H]3OC ZINC000255217971 KK Annotated Anodyne CO[C@H]1C[C@H]2CC[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@]4(CC[C@H](C)[C@@H](C[C@@H](O)C[C@H](O)C[C@@H]5CCC[C@H](CC(=O)O[C@H]6C[C@@]7(O[C@H]6C/C=C/C/C=C/C[C@@H](O)C(=O)O)O[C@](CC[C@@H]7C)(C1)O2)O5)O4)CC[C@@H]3OC ZINC000255217972 KK Annotated Anodyne CO[C@H]1C[C@H]2CC[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@]4(CC[C@H](C)[C@@H](C[C@@H](O)C[C@H](O)C[C@@H]5CCC[C@H](CC(=O)O[C@H]6C[C@@]7(O[C@H]6C/C=C/C/C=C\C[C@@H](O)C(=O)O)O[C@](CC[C@@H]7C)(C1)O2)O5)O4)CC[C@@H]3OC ZINC000255217973 KK Annotated Anodyne CO[C@@H]1O[C@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)C[C@@H](O)[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255218016 KK Annotated Mild CC1=C[C@@H](/C=C(C)/C=C/C=C(\C)C(=O)NC[C@@H]2CCN3CCC[C@H]23)[C@](C)(/C=C/C=C(C)/C=C\C=C(/C)C(=O)NC[C@@H]2CCN3CCC[C@H]23)CC1 ZINC000255218042 KK Annotated Anodyne CC1=C[C@@H](/C=C(C)/C=C/C=C(\C)C(=O)NC[C@@H]2CCN3CCC[C@H]23)[C@](C)(/C=C/C=C(C)/C=C/C=C(\C)C(=O)NC[C@@H]2CCN3CCC[C@H]23)CC1 ZINC000255218043 KK Annotated Anodyne C=C1CC[C@@H](C[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]cc(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@@H](/C(O)=C3\C(=O)[C@H](C(C)C)N([C@H]4C[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]4OC)C3=O)[C@@H]12 ZINC000255218047 KK Annotated Mild C=C1CC[C@@H](C[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]cc(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@@H](/C(O)=C3/C(=O)[C@H](C(C)C)N([C@H]4C[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]4OC)C3=O)[C@@H]12 ZINC000255218048 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1OC(C)=O)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@](C)(OC(C)=O)[C@@H](CCC(C)(C)OC(C)=O)OC(C)=O)CC[C@@]12OC(C)=O ZINC000255218052 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]56CO[C@](O)([C@H](OC(C)=O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)[C@@H]6C ZINC000255218064 KK Annotated Anodyne C[C@H]1CC[C@@H]2[C@@H](CC[C@@]2(C)O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)/C1=C\C[C@H]1[C@@](C)(O)CC[C@H]2OC(C)(C)C(=O)CC[C@@]21C ZINC000255218087 KK Annotated Anodyne C=C(OC)C(=O)NC[C@@H](O)C[C@@H](C/C=C(C)/C=C/[C@H](C)C[C@@H]1O[C@H](C[C@@H]2C[C@H](OC)C[C@H]([C@@H](C)/C=C(C)/C=C/C=C/C)O2)[C@@H](C)C[C@@]1(C)O)OC(N)=O ZINC000255218106 KK 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](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255218126 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C)=C[C@H](OC(C)=O)[C@]4(C)[C@@H](OC(C)=O)C[C@]23C)C1(C)C ZINC000255218158 KK Annotated Anodyne CC[C@@H](C[C@@H](C)C(=O)O)C(=O)CC/C(C)=C/[C@H](C)C/C(C)=C/[C@H](C)[C@H](O)[C@H](C)CC[C@H](CCCC/C=C/[C@H](C)CC[C@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000255218174 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)C[C@@H]1CC3)C(C)C ZINC000255218210 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@H]1C(C)(C)C[C@H](O)C[C@@]1(C)O)=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 ZINC000255218236 KK Annotated Bother CCC(=O)[C@H]1O[C@@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)[C@H](C)[C@H]1OC(C)=O ZINC000255218245 KK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5OC(=O)[C@@H]6[C@@H](C)CC[C@H]6[C@@H]5C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255218252 KK Annotated Anodyne COC(=O)[C@@](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](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255218266 KK Annotated Anodyne COC(=O)[C@@](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](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C ZINC000255218267 KK Annotated Anodyne CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H]([C@@H](O)[C@H](OC(C)=O)[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5OC(C)=O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255218278 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC1=C2C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)[C@@H]2C1 ZINC000255218319 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H](N)C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3 ZINC000255218477 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@H](N)C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3 ZINC000255218480 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000255218482 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000255218485 KK Annotated Bother CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C\N(C)C=O ZINC000255218530 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CCC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C\N(C)C=O ZINC000255218533 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CCC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000255218537 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5C(=CC(=O)[C@]6(O)Oc7c(cc8c(c7C)C=C[C@H]7[C@@]8(C)CC[C@@]8(C)[C@@H]9C[C@](C)(C(=O)OC)CC[C@]9(C)CC[C@]78C)O[C@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255218575 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C=Cc5c(cc6c(c5C)O[C@@]5(O)C(=O)C=C7C(=CC[C@H]8[C@@]7(C)CC[C@@]7(C)[C@@H]9C[C@](C)(C(=O)OC)CC[C@]9(C)CC[C@]87C)[C@@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000255218577 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C=Cc5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC[C@H]8[C@@]7(C)CC[C@@]7(C)[C@@H]9C[C@](C)(C(=O)OC)CC[C@]9(C)CC[C@]87C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255218580 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)[C@H]1O[C@@](O)([C@@H](O)[C@H]2C[C@@H]3O[C@@]4(CC[C@]5(C=C(C)C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@@H](C)C[C@@H]3O2)[C@H](C)C[C@@H]1C ZINC000255218618 KK Annotated Mild C/C(=C\CC[C@@](C)(O)[C@H](O)CO)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCCC(C)(C)O ZINC000255218624 KK Annotated Anodyne C/C=C1/C[N@@+]2([O-])CC[C@@]34c5ccccc5N5[C@@H]3C(=CO[C@@H]5[C@H]3[C@@H]5Cc6c([nH]c7ccccc67)[C@@H]6C[C@H]3/C(=C\C)CN65)[C@@H]1C[C@H]42 ZINC000255218774 KK Annotated Bother C/C=C1/C[N@+]2([O-])CC[C@@]34c5ccccc5N5[C@H]([C@H]6[C@@H]7Cc8c([nH]c9ccccc89)[C@@H]8C[C@H]6/C(=C\C)CN87)OC=C([C@@H]1C[C@H]32)[C@H]54 ZINC000255218775 KK Annotated Bother CC[C@H](C[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@H]1CC[C@@]2(OC(C)=O)C3=CC(=O)[C@@H]4C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)OC(C)=O ZINC000255218793 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)C[C@@H](Cl)[C@](O)(C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000255218817 KK Annotated Reactive CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)C[C@@H](Cl)[C@@](O)(C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000255218818 KK Annotated Reactive C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)OC)C(=C)CC[C@H]21 ZINC000255218840 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](OC)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255218849 KK Annotated Anodyne CO[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@@H]2/C=C\C=C\c3coc(n3)[C@@H](C)[C@H](O)C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C\C=C\C=C/C(C)=C/[C@H]2C)[C@@H]1O ZINC000255218871 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@H]1C=C(C)[C@H]1[C@@H]3C[C@@](C)(O)[C@](C)(CC[C@](C)(O)C(=O)CCC(C)=C[C@H]12)O3 ZINC000255218904 KK Annotated Anodyne CC(C)(O)[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](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255218907 KK Annotated Anodyne C/C=C1\CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4[nH]c5c(c4c3)CCN3[C@H]4[C@@H](CC)C[C@H](C[C@@]54C(=O)OC)[C@H]3O)C[C@@H]1[C@H]2C(=O)OC ZINC000255218917 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34Cc5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 ZINC000255218942 KK Annotated Bother C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(/C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255218953 KK Annotated Mild C/C=C\C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(/C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255218954 KK Annotated Mild C/C=C\C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255218955 KK Annotated Mild C/C=C/C(=O)C[C@@H]1CC[C@@H](C)[C@H](CC(=O)NC[C@H](O)[C@@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@H](CC[C@@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255218956 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000255218969 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CO[C@H](C(C)(C)O)[C@H](O)C3)[C@@]21C ZINC000255218970 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@@]21C ZINC000255218971 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CO[C@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000255218972 KK Annotated Anodyne CC[C@H](C)[C@H](CCCCCCCCCCCCCCCC[C@H]1C[C@@H](CC)CC(=O)O1)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O ZINC000255218975 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1C=C(C)CC[C@@H]3O[C@H](CC[C@@]3(C)O)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255219005 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1/C=C(\C)CC[C@@H]3O[C@H](CC[C@@]3(C)O)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255219006 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)[C@H]([C@@H]3C[C@@H]([C@@H]4OC4(C)C)O[C@@H]3OC(C)=O)CC[C@]2(C)[C@@H]2CC=C3C(C)(C)C(=O)C[C@H](O)[C@]3(C)[C@@H]12 ZINC000255219009 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)CC1=CC(=O)OC1)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000255219034 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CCC(=O)O3)[C@H]12 ZINC000255219046 KK Annotated Anodyne CO[C@@H]1O[C@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255219061 KK Annotated Anodyne C[C@H]1[C@@]2(O)[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000255219124 KK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCC1=CCC[C@@]2(C1)C(=O)[C@]13C[C@H]2CC[C@H]1[C@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@@H]3OC(C)=O ZINC000255219143 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[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 ZINC000255219144 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[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 ZINC000255219145 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OCC)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255219200 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OCC)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000255219201 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)OCC)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000255219202 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)OCC)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255219203 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@H]([C@@H]2CC[C@H]([C@@H]3CC[C@@H]([C@]4(C)O[C@@]5(O[C@H](C[C@@H]6O[C@@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@@H](OC)[C@]6(C)O[C@@H]6CC[C@@H](OC)[C@H](C)O6)C[C@@H](OC)[C@H]5C)[C@@H](C)[C@@H]4OC)O3)O2)O[C@](C)(O)[C@@H]1C ZINC000255219204 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3C[C@@H]([C@@H]4OC4(C)C)O[C@H]3O)[C@]12C ZINC000255219239 KK Annotated Mild CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1 ZINC000255219245 KK Annotated Anodyne CO[C@@H]1C[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)C2=C1[C@@]1(C)[C@H](O)C[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC2=O ZINC000255219277 KK Annotated Mild C=C(CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)[C@H](OC(=O)C=C(C)C)[C@@H](O[C@H]3O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C[C@@]12C)[C@H](COC(C)=O)OC(C)=O ZINC000255219289 KK Annotated Mild CCC(=O)[C@H]1CCC[C@@H]2CC3=C(C[C@H](CC)[C@@H]4C[C@H]5CCC=C6N5[C@]34[C@H]3[C@H](CC)[C@@H](C)[C@H](c4c(CC)c5n7c4CCC[C@H]7CC5)[C@@]63CC)N21 ZINC000255219300 KK Annotated Anodyne CCOC(C)(C)[C@@H](O)[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)[C@H](OC)O1 ZINC000255219309 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255219319 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255219320 KK Annotated Anodyne C=C(CO)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 ZINC000255219326 KK Annotated Mild CC[C@H]1O[C@@H](OCO[C@@H](/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/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)O)[C@H](O)[C@H]1O ZINC000255219366 KK Annotated Bother CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]([C@@H](O)[C@H]3C(C=O)=CCC=C(C)C[C@H](O)[C@@H]3[C@@H](C)CCC=C(C)C)OC2=O)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O ZINC000255219369 KK Annotated Reactive CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]([C@@H](O)[C@H]3/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@@H]3[C@@H](C)CCC=C(C)C)OC2=O)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O ZINC000255219370 KK Annotated Reactive CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@H]1O[C@@H](OC[C@H]2C(C)=CC[C@H]3C(C)(C)CCC[C@@]32C)[C@H]2C1=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000255219404 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000255219428 KK 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@H]2C=C3C(C)(C)C[C@@H](O)C[C@@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000255219429 KK Annotated Bother C=C(CC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](OC(=O)/C=C/c2ccccc2)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255219432 KK Annotated Mild CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)[C@@]2(C)[C@H](O)C[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255219450 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@@H]4CN(CC5)[C@H]3[C@H](CC)[C@H]4O)C[C@@H]1[C@@H]2C(=O)OC ZINC000255219471 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000255219486 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C\N(C)C=O ZINC000255219487 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)C(=O)NC(=O)c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000255219488 KK Annotated Anodyne CCCC(=O)N/C=C\C=C\C[C@@H]1OC(=O)/C=C(\C)[C@H](C)C[C@H]2O[C@@H]2[C@@H]2CC[C@H]3O[C@@]4(CC[C@]3(C)O2)O[C@@H](CC(=O)[C@H](C)CC1=O)C[C@@H]4C ZINC000255219490 KK Annotated Anodyne CCCC(=O)N/C=C\C=C\C[C@H]1OC(=O)/C=C(\C)[C@H](C)C[C@H]2O[C@H]2[C@@H]2CC[C@H]3O[C@@]4(CC[C@]3(C)O2)O[C@@H](CC(=O)[C@@H](C)CC1=O)C[C@@H]4C ZINC000255219491 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)=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 ZINC000255219506 KK Annotated Bother CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255219507 KK Annotated Bother CCCCCCCC/C=C\CCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(C)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255219540 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(CO)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000255219543 KK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(C)(C)C=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C)[C@H](C)CO ZINC000255219549 KK Annotated Mild CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)C=C(C)C)[C@@]1(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3OC(=O)C[C@@H]12 ZINC000255219551 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@@H](C)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@H](O)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC)O[C@H]3OC(C)=O ZINC000255219575 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255219622 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255219623 KK Annotated Anodyne C/C=C(\C)C(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](CC)O1)C3 ZINC000255219651 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(COC(C)=O)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000255219658 KK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C ZINC000255219670 KK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35C(=O)C[C@]12C)N(C)C ZINC000255219671 KK Annotated Anodyne C[C@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]45C[C@]35C(=O)C[C@]12C)N(C)C ZINC000255219672 KK Annotated Anodyne COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](C)([C@@H](OC(C)=O)[C@H](C)[C@@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]5(C)C[C@@]34OC5=O)[C@H]2CC1=O ZINC000255219684 KK Annotated Mild COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](C)(C[C@H](C)[C@@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]43OC5=O)[C@H]2CC1=O ZINC000255219695 KK Annotated Mild CC(=O)O[C@H]1CC(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)/C=C2/C(C)(C)C[C@H](O)C[C@@]2(C)O)[C@](C)(O)C1 ZINC000255219703 KK Annotated Mild CC(=O)O[C@@H]1CC(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)/C=C2/C(C)(C)C[C@@H](O)C[C@]2(C)O)[C@@](C)(O)C1 ZINC000255219704 KK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CCC[C@@]2(C)COC(=O)[C@@H](CC(=O)OC)[C@H](C(=O)OC)OC[C@H]2C(=C)CC[C@@H]4[C@]2(C)CCC[C@@]4(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)OC)OC[C@@H]13 ZINC000255219726 KK Annotated Mild CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](CC)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255219751 KK Annotated Mild CCO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)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 ZINC000255219799 KK Annotated Anodyne CCO[C@H]1O[C@@H]([C@H](O)C(C)(C)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 ZINC000255219800 KK Annotated Anodyne CCO[C@@H]1O[C@@H]([C@H](O)C(C)(C)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 ZINC000255219801 KK Annotated Anodyne CCC[C@@H]1O[C@@](C)([C@@H](O)C/C=C/[C@@H]2OC(=O)/C=C/C=C/[C@@H](OC)[C@H](O)/C=C/C(C)=C/[C@H](C)CCC[C@@H](OC)[C@H](O)/C=C/C(C)=C/[C@@H](C)[C@H](O)[C@H]2OC)[C@H](O)[C@@H]1OC ZINC000255219807 KK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@](O)(C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C\c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255219815 KK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@](O)(C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255219816 KK Annotated Anodyne CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN([C@@H](c3ccc5c(c3)[C@@H]3CCN6C[C@H]7O[C@H]7[C@]7(CC)CC[C@]3(N5)[C@H]67)[C@@H]3O[C@@H]31)[C@@H]42 ZINC000255219830 KK Annotated Anodyne CC(=O)O[C@H](CC(C)C)C[C@]1(C)OC(=O)[C@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13 ZINC000255219832 KK Annotated Anodyne CC(=O)O[C@H](CC(C)C)C[C@@]1(C)OC(=O)[C@@]23CC=C4[C@@H](CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@@H]13 ZINC000255219833 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255219849 KK Annotated Mild COC1(OC)C[C@@](C)(CO)[C@](C)(C(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C#CC2=C(C)C[C@@H](O)CC2(C)C)CO)C1 ZINC000255219871 KK 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=C/C=C(C)/C=C\CC(C)(C)O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)CC=C1 ZINC000255219876 KK Annotated Bother CC(=O)O[C@@H](C[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](O)C(C)(C)O ZINC000255219899 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](OC(C)=O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255219905 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)[C@H]5Nc6ccc7c8c6[C@H]5[C@@H](OC(C)(C)[C@@H]5C[C@@H]([C@H](C)C7=O)[C@H]85)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@@H]1O ZINC000255219909 KK Annotated Mild C=C(C)[C@H](O)CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000255219958 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(O)Oc7cc8c(c(C)c7O[C@@]56C)C=C[C@@H]5[C@@]8(C)CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)OC)CC[C@]7(C)CC[C@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255219959 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@@H](C)[C@H]4[C@@H]([C@@](C)(O)CC/C=C(/C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000255219964 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](C(C)=O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255219972 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](C(C)=O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255219973 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC=C4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)/C=C/[C@@H](CC)C(C)C)C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255219986 KK Annotated Mild CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4C=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000255219998 KK Annotated Mild CC(/C=C\CC(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=C/CC(C)(C)O ZINC000255220040 KK Annotated Bother C[C@H]1CC[C@@H]2[C@H](C=C[C@H]3[C@@H](C)/C=C/C[C@]4(C)C=C(CO)[C@H](C[C@@H](C)O)C[C@]45OC(=O)C(=C5O)C(=O)[C@]32C)C1 ZINC000255220044 KK Annotated Mild CC(C)=CC(=O)C[C@H](COC(=O)/C=C/c1ccc(O)cc1)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]45C[C@]35CC[C@@]12C ZINC000255220056 KK Annotated Mild C[C@@]12CC[C@H]3[C@@](C)(CO)[C@@H](OC(=O)CCc4ccc(O)c(O)c4)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000255220064 KK Annotated Clean CO[C@@H](C)C(=O)O[C@H](CC[C@H](C)[C@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@@H]1C)OC)[C@H](C)[C@H](OC(C)=O)[C@@H](C)/C=C/N(C)C=O ZINC000255220074 KK Annotated Mild C[C@H]1C[C@@]23OC(C)(C)O[C@@H]4[C@@H]5[C@H](CC[C@@](C)([C@H](O)[C@H]2[C@H]1OC(=O)/C=C/c1ccccc1)[C@@]4(C)C3=O)C5(C)C ZINC000255220079 KK Annotated Anodyne C[C@H]1C[C@@]23OC(C)(C)O[C@@H]4[C@@H]5[C@H](CC[C@@](C)([C@H](O)[C@H]2[C@H]1OC(=O)/C=C\c1ccccc1)[C@@]4(C)C3=O)C5(C)C ZINC000255220080 KK Annotated Anodyne CC[C@@H](C[C@H]1O[C@@H]2OC(=O)[C@H]1[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(=O)[C@H](C)CC)[C@H](OC(C)=O)C[C@]5(C)[C@H]4CC[C@]321)C(C)C ZINC000255220092 KK Annotated Anodyne CC1=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]2[C@H](C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000255220132 KK Annotated Bother CO[C@@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C/C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C ZINC000255220193 KK Annotated Mild CO[C@H]1CC[C@H](O[C@H]2C[C@@H]([C@]3(C)CC[C@]4(C[C@@H](O)[C@@H](C)[C@H]([C@@H](C)/C=C/C(=O)[C@H](C)C[C@@H](C)C(=O)O)O4)O3)O[C@@]3(O[C@H]([C@@H]4O[C@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C ZINC000255220194 KK Annotated Mild C=C(COC(C)=O)[C@@H](CC[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)OC(C)=O ZINC000255220200 KK Annotated Mild 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=C/C=C(C)/C=C/[C@@H](CC=C(C)C)C(C)(C)O)=C(C)C ZINC000255220218 KK Annotated Bother C=C(C)[C@H]1CC[C@H](C)C2=C(C1)[C@@H]1Oc3c(cc4c(c3C)C=C[C@@H]3[C@@]4(C)CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)OC)CC[C@]5(C)CC[C@]34C)O[C@@H]1C2 ZINC000255220221 KK Annotated Mild CC(=O)/C=C\C(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)C ZINC000255220236 KK Annotated Mild CC(=O)/C=C\C(\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C ZINC000255220237 KK Annotated Mild CC(=O)/C=C/C(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C ZINC000255220238 KK Annotated Mild CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220253 KK Annotated Anodyne CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220254 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000255220255 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220256 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220257 KK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220258 KK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220259 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220260 KK Annotated Anodyne CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255220261 KK Annotated Anodyne CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000255220262 KK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C ZINC000255220263 KK Annotated Anodyne CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@@H]2C3=CC(=O)[C@@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255220282 KK Annotated Mild CC(C)[C@H](C)C[C@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255220283 KK Annotated Mild CC[C@@]12O[C@@H]([C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](C[C@H](OC(C)=O)[C@@]43C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255220296 KK Annotated Mild CC(=O)O[C@@H](CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@](C)(O)CC/C=C(\C)CCC=C(C)C)[C@@](C)(O)CC/C=C(\C)CCC=C(C)C ZINC000255220297 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(O)CC3)C(C)C ZINC000255220311 KK Annotated Anodyne COC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@H]3[C@H](C)[C@@H](OC(=O)/C=C4\CC[C@H]5[C@@H]([C@@H](O)C(=O)[C@H]6[C@@](C)(C(=O)OC)CCC[C@]56C)[C@H]4C)CC[C@]23C)[C@H]1C ZINC000255220316 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](C)(O)[C@@H](CC)[C@H](O)[C@H]1C)[C@@H]1O[C@](C)([C@]23O[C@@H](CC)[C@](CC)(C[C@H]2C)O3)C[C@H]1C ZINC000255220341 KK Annotated Anodyne CO[C@@H]1C=C2[C@@H](CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)[C@]2(C)CC[C@]3(O)[C@](C)([C@H]4CCC(C)(C)O4)OC(=O)[C@]123 ZINC000255220347 KK Annotated Anodyne COc1cc2c(cc1C[C@H](C(C)=O)[C@@H]1C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@@H]1CO)N3C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000255220356 KK Annotated Mild C=C(C)[C@@H](CC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)OC(C)=O ZINC000255220359 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)[C@]5(C)O[C@@H]5C[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255220362 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@H]5C(=C(C)C[C@@H]5c5ccoc5)[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000255220374 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@H](OC(=O)[C@H](C)CC)[C@@]2(CO)[C@@H](CC1(C)C)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)[C@@H](O)[C@H]2O ZINC000255220393 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](OC(C)=O)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255220400 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H](OC(C)=O)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255220401 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@H]4[C@H](C(C)(C)O)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000255220402 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](OC(C)=O)C[C@]3(C)[C@@H]2CC=C2[C@]4(O)[C@@H](C)[C@H](C(=O)O)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000255220449 KK Annotated Anodyne CC(C)=C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255220451 KK Annotated Anodyne COC(=O)/C(=C/c1ccccc1)NC(=O)C[C@@](C)(O)CC(=O)O[C@H]1[C@H](OC(C)=O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)O[C@@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000255220460 KK Annotated Anodyne COC(=O)/C(=C/c1ccccc1)NC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1[C@@H](OC(C)=O)C[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@@H]([C@@H]2CC[C@@H](C(C)(C)O)O[C@H]2O)[C@@]1(C)[C@@H](O)C3 ZINC000255220461 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]5[C@H](C(C)C)CC[C@@]5(C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255220503 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C(\C)[C@]3(O)CC(=O)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255220504 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(=C[C@@H](OC(C)=O)[C@H](NC(=O)c5ccccc5)C4(C)C)C[C@@]34O[C@H]4C[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000255220563 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5=CC[C@]43C)[C@@H]12 ZINC000255220591 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CC(C)=O)CC(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=C1C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255220634 KK Annotated Mild C/C=C\[C@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]1O[C@@]2(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O2)CC[C@@H]1C ZINC000255220638 KK Annotated Mild C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]1O[C@@]2(CCC[C@@H](CC[C@H](C)/C=C(/C)C(C)=O)O2)CC[C@@H]1C ZINC000255220639 KK Annotated Mild C/C=C\[C@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]1O[C@@]2(CCC[C@@H](CC[C@H](C)/C=C(/C)C(C)=O)O2)CC[C@@H]1C ZINC000255220640 KK Annotated Mild CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@H](C(=O)OC[C@@]1(O)C[C@]24CC[C@@H]5C(C)(C)CCC[C@]5(C)[C@@H]2CC[C@H]1C4)C3 ZINC000255220641 KK Annotated Anodyne CO[C@H]1C(C)=C[C@@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000255220658 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/C[C@@H]([C@](C)(O)/C=C(\C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(OC(=O)[C@H](C)[C@H](C)O)[C@@H](C)C[C@H](C)C[C@H](O)[C@@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@@H](O)[C@@H]1O ZINC000255220666 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 ZINC000255220713 KK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](O)C[C@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000255220714 KK Annotated Anodyne C=C(CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]45C[C@]35CC[C@]12C)C(C)C ZINC000255220725 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C\c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255220726 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255220727 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@@]3(C)O[C@@H](CC/C(C)=C/[C@@H]12)[C@]1(C)CC[C@H]3O1 ZINC000255220732 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1/C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000255220751 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1/C=C\C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000255220752 KK Annotated Mild C=C(C)[C@@H]1C[C@H](O)[C@](C)(O)[C@H]1/C=C\C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000255220753 KK Annotated Mild C=C(C)[C@H]1C[C@H](O)[C@](C)(O)[C@H]1/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000255220754 KK Annotated Mild CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000255220772 KK Annotated Mild CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000255220773 KK Annotated Mild CC[C@@H](O[C@H]1CC[C@H](OC)[C@@H](C)O1)[C@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](O[C@H]4CC[C@H](OC)[C@@H](C)O4)[C@H](C)C(=O)O)O3)O2)O1 ZINC000255220783 KK Annotated Anodyne C=C(C(C)C)[C@@H](CC)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255220786 KK Annotated Mild C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)C[S@@]3=O ZINC000255220797 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(/C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255220824 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@@H](C)C=C(C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000255220825 KK Annotated Anodyne CO[C@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255220826 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@@H](C)C=C(C)C(=O)O[C@H](/C(C)=C/C=C(/C)CNC(=O)[C@H](COS(=O)(=O)O)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000255220827 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H](C(C)(C)O)CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255220845 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@H](OC(C)(C)[C@@H]5C[C@@H](C(=C)C7)[C@@]85O)[C@H]4CC[C@]3(O)[C@]23O[C@@H]3[C@@H]1O ZINC000255220846 KK Annotated Mild CO[C@@H]1C[C@@H](C[C@@H](O)CC[C@H](C)/C=C(/C)C(=O)O)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5OC(OC)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000255220856 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@@H](O)CC[C@H](C)/C=C(\C)C(=O)O)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5OC(OC)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000255220857 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255220867 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255220868 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000255220874 KK Annotated Anodyne CCCCCC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@H](O)C(C)(C)O)O[C@H]2OC)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)C(=O)C[C@H](O)[C@]3(C)[C@@H]12 ZINC000255220882 KK Annotated Anodyne CC1=CC[C@H]2C[C@H](C[C@@]3(C[C@@H](O)[C@@H](C)[C@H](/C(C)=C/C(C)C)O3)O2)OC(=O)c2cc(C)c(O)cc2C=CC=C[C@@H](C)C1 ZINC000255220897 KK Annotated Anodyne CC1=CC[C@H]2C[C@H](C[C@@]3(C[C@@H](O)[C@@H](C)[C@H](/C(C)=C\C(C)C)O3)O2)OC(=O)c2cc(C)c(O)cc2C=CC=C[C@@H](C)C1 ZINC000255220898 KK Annotated Anodyne C/C(=C/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)CC/C=C(\C)CO)CO ZINC000255220907 KK Annotated Bother CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C/c4cc(O)c(C)cc4C(=O)O3)O2)C[C@H](O)[C@@H]1C ZINC000255220930 KK Annotated Anodyne C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCCCCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000255220946 KK Annotated Mild CC(=O)O[C@H]1[C@H](O)C[C@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CCC(C)(C)[C@H](O)[C@H]5CC[C@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000255220990 KK Annotated Anodyne CC[C@@H]1CN2[C@H]3Cc4c([nH]c5ccccc45)[C@]2(c2cc4[nH]c5c(c4cc2OC)CCN2C[C@@H]4C[C@H](CC)[C@H]2[C@H]5C4)C[C@@H]1[C@@H]3C(=O)OC ZINC000255220993 KK Annotated Anodyne COC(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\C=C(/C)CCCC(C)(C)O ZINC000255220997 KK Annotated Mild COC(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\C=C(/C)CCCC(C)(C)O ZINC000255220998 KK Annotated Mild COC(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\C=C(/C)CCCC(C)(C)O ZINC000255220999 KK Annotated Mild COC(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\C=C(/C)CCCC(C)(C)O ZINC000255221000 KK Annotated Mild CC[C@@]12CC[C@@H]3N(C)c4ccc([C@]56CC[C@]7(CC)[C@@H]8O[C@@H]8CN8CC[C@@]5(c5ccccc5N6C)[C@@H]87)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000255221004 KK Annotated Clean C=C(C)[C@@H](CC[C@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)OC(C)=O ZINC000255221012 KK Annotated Mild C=C(C)[C@@H](CC[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)OC(C)=O ZINC000255221013 KK Annotated Mild COc1cc2c(cc1C[C@H]1[C@@H]3C[C@H]4c5c(c6ccccc6n5C)C[C@@H]([C@@H]3CO[C@@]1(C)O)N4C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000255221014 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4CC(C)=O)C[C@H]1[C@@]2(CO)C(=O)OC ZINC000255221031 KK Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4CC(C)=O)C[C@H]1[C@@]2(CO)C(=O)OC ZINC000255221032 KK Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN([C@H](c3ccc5c(c3)[C@@H]3CCN6[C@H]7O[C@H]7C[C@@]7(CC)CC[C@]3(N5)[C@@H]67)[C@H]3O[C@H]31)[C@@H]24 ZINC000255221040 KK Annotated Anodyne C[C@H]1[C@@H](OC(=O)c2ccccc2)CC[C@H]2[C@]3(C)CC[C@]45C(=O)O[C@H](C[C@]4(C)[C@H]3CC[C@@]21C)[C@@]1(C)CCC(C)(C)C[C@H]15 ZINC000255221084 KK Annotated Anodyne CC[C@@H](OC)C(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@](C)(CC(C)=O)[C@H]1CC3 ZINC000255221094 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](OC(C)=O)C[C@@](C)(O)[C@@H]3CC[C@](C)(OC(C)=O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255221124 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255221181 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H](O)[C@@]21C ZINC000255221182 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@H]([C@H]2OC2(C)C)C[C@@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255221183 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255221184 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CCC2=C3[C@H](OC(C)=O)[C@@H]4O[C@@]45C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255221203 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3O)[C@]12C ZINC000255221221 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3C[C@H]([C@H]4OC4(C)C)O[C@@H]3O)[C@]12C ZINC000255221222 KK Annotated Anodyne CC[C@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@](C)(O)[C@H](O)[C@H](C)[C@H](O)[C@@H](O[C@H]3CC[C@@H](N(C)C)[C@H](C)O3)[C@H](O)[C@](C)(O)CCCCC/C=C/[C@H]3CC(C)(C)O[C@]3(O)C[C@H](O2)[C@@H]1C ZINC000255221239 KK Annotated Anodyne CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000255221256 KK Annotated Bother COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@](C)(O)[C@H](Cl)CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]12 ZINC000255221260 KK Annotated Reactive CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@@H]3O)[C@]12C ZINC000255221307 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255221347 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255221348 KK Annotated Mild COc1cc([C@H]2[C@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)cc3)[C@H]2C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000255221368 KK Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000255221369 KK Annotated Anodyne CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)CCCC2(C)C)/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)CCCC2(C)C ZINC000255221392 KK Annotated Bother CC(/C=C\C=C(C)/C=C/[C@]12O[C@@]1(C)CCCC2(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)CCCC2(C)C ZINC000255221393 KK Annotated Bother C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@](C)(C=O)[C@@H]2[C@@H](OC(C)=O)[C@H]3O[C@@H]4C[C@@H](c5ccoc5)C(C)=C4[C@@]3(C)[C@H](CC(=O)OC)[C@@]12C ZINC000255221396 KK Annotated Mild CC[C@@H](C)C(=O)O[C@@]1(C)C(=O)O[C@H]([C@](C)(O)/C=C(\C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)C/C=C/C=C(\C)[C@@H](OC)[C@@H](O)[C@H](O)[C@@H](C)C/C=C\[C@@H](C)C(=O)[C@H](C)[C@@H](O)C[C@@H](C)C[C@@H]1C ZINC000255221438 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C(=O)[C@@H]3C)C(C)(C)CC=C1 ZINC000255221439 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C(C)=CCC(C)=C[C@@H](O)[C@@H](C)C=C(C)C=C(C)C=C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)C(C)=CC=C[C@@H]2C)cs1 ZINC000255221485 KK Annotated Anodyne COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](COC(C)=O)([C@@H](OC(C)=O)[C@H](C)[C@@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]43OC5=O)[C@@H]2CC1=O ZINC000255221503 KK Annotated Mild CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@]1(C)C3=C[C@H](C)[C@@H](c4ccoc4)[C@@H]3OCC[C@@H]12 ZINC000255221529 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@]4(C)C5=C[C@@H](C)[C@@H](c6ccoc6)[C@@H]5OCC[C@@H]4[C@]1(C)[C@H]32 ZINC000255221530 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H]3[C@@H](OC[C@]13C)[C@@H](OC(=O)/C=C\c1ccccc1)[C@@]1(C)C3=C[C@H](C)[C@@H](c4ccoc4)[C@@H]3OCC[C@@H]12 ZINC000255221531 KK Annotated Anodyne CO[C@H]1C[C@@H](C[C@H]2O[C@@](O)([C@@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@@H]2C)O[C@]2(O[C@@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@H]5O[C@@](C)(O)[C@H](C)C[C@@H]5C)O4)O3)[C@@H](O[C@@H]3CC[C@@H](OC)[C@H](C)O3)[C@@H]2C)[C@@H]1C ZINC000255221543 KK Annotated Anodyne CO[C@H]1CC[C@H](O[C@H]2[C@@H](C)[C@@]3(O[C@H](C[C@@H]4O[C@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@H](OC)[C@@H]4C)C[C@@H](OC)[C@H]3C)O[C@]2(C)[C@H]2CC[C@@H]([C@H]3CC[C@H]([C@H]4O[C@](C)(O)[C@H](C)C[C@@H]4C)O3)O2)O[C@H]1C ZINC000255221544 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H](O)CC[C@H](C)/C=C(\C)C(=O)O)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000255221581 KK Annotated Anodyne O=C1C=C[C@@]23[C@@H](c4ccc(O)cc4)[C@H](c4cc(O)cc(O)c4)[C@@H](c4cc(O)cc(O)c4)[C@@H]2[C@@H]2C(=O)[C@@H](C(=O)C4=C2[C@H]2[C@H](c5ccc(O)cc5)c5c(O)cc(O)cc5[C@H]2[C@@H]4c2ccc(O)cc2)[C@H]3C1 ZINC000255221590 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@H]1[C@H](C)[C@@H](O)[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)[C@@H](O)CC1(C)C ZINC000255221628 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@H]1[C@@H](C)[C@H](O)[C@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H]1[C@@H](C)[C@H](O)[C@H](O)CC1(C)C ZINC000255221629 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221639 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000255221640 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221641 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221642 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221643 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221644 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221645 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221646 KK Annotated Bother 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@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221647 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255221648 KK Annotated Bother CCC[C@](C)(OC[C@]1(C)C[C@@H](C)[C@]2(O[C@H]([C@H](C)[C@H]3O[C@@](O)(CC(=O)O)[C@H](C)[C@@H](OC)[C@@H]3C)C[C@@H](O)[C@@H]2C)O1)[C@@H]1O[C@@H]([C@]2(O)O[C@](C)([C@H](O)CC)C[C@H]2C)C[C@H]1C ZINC000255221676 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(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@]2(C)[C@H]1C ZINC000255221701 KK Annotated Anodyne CO[C@@H](/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/C1=C(C)C(=O)CCC1(C)C)C(C)(C)O ZINC000255221717 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255221744 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]63)CC[C@]54C)C2(C)C)cc1 ZINC000255221768 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]23C)C1(C)C ZINC000255221770 KK Annotated Mild CC[C@H]1/C=C/CCC[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255221782 KK Annotated Mild C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000255221822 KK Annotated Reactive CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255221833 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255221834 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255221835 KK Annotated Anodyne C/C(=C\CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC/C=C(\C)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CC[C@H]1OC1(C)C ZINC000255221858 KK Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255221876 KK Annotated Mild CCO[C@]1(C)C[C@@H]2C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@]2(C(=O)OC)[C@H]2/C=C(\C)CC[C@@H]3O[C@H](CC[C@@]3(C)O)[C@@](C)(O)C/C=C/21 ZINC000255221884 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000255221888 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000255221889 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O ZINC000255221892 KK Annotated Bother CC[C@H](C)[C@@H]1O[C@@]2(C[C@H](O)[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@@H](OC)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000255221900 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@@H](O)[C@@H]1C ZINC000255221901 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@@]2(C[C@H](O)[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@@H](OC)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000255221902 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000255221904 KK Annotated Mild CC(/C=C/C=C(\C)C/C=C1\[C@@H](C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000255221942 KK Annotated Bother C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OC)O1 ZINC000255221962 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@]1(C)C3=CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6C[C@@H](C)C(=O)C[C@]6(C)CC[C@]45C)C3=CC(=O)[C@]1(O)O2 ZINC000255221982 KK Annotated Mild CC[C@@H](C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)[C@H](C)CC)C[C@H](O)[C@](C)([C@H]4CC[C@]5(C)C(=CC(=O)[C@@]5(O)c5ccoc5)[C@]14C)[C@@H]23 ZINC000255221983 KK Annotated Mild CC[C@H](C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)[C@@H](C)CC)C[C@H](O)[C@](C)([C@H]4CC[C@]5(C)C(=CC(=O)[C@@]5(O)c5ccoc5)[C@]14C)[C@@H]23 ZINC000255221984 KK Annotated Mild COC(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(\C)CCC=C(C)C ZINC000255221998 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@@H]2O[C@H](CC=C2C)[C@@](C)(O)C[C@H]1O ZINC000255222007 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@@H]2O[C@H](CC=C2C)[C@](C)(O)C[C@H]1O ZINC000255222008 KK Annotated Anodyne CO[C@H]1CC[C@H](OC[C@H]2C[C@@H](C)[C@@](C)(O)O[C@@H]2[C@H]2C[C@H](C)[C@]3(O2)O[C@@H]([C@]2(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)/C(C)=C/[C@H](C)C(=O)O)O4)O2)CC[C@H]3C)O[C@@H]1C ZINC000255222017 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4C=O)C[C@@H]1[C@@H]2C(=O)OC ZINC000255222023 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)[C@H](C)CC)[C@](C)([C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c4ccoc4)C[C@@H]1OC(C)=O)[C@@H]23 ZINC000255222053 KK Annotated Anodyne CCC[C@@H](C[C@H]1CC[C@@H]([C@H](CC)[C@@H]2OC(=O)[C@@H](CC)[C@H]3CC[C@@H](C[C@@H](CCC)OC(=O)[C@@H](CC)[C@H]4CC[C@H](O4)[C@H]2C)O3)O1)N(C)C ZINC000255222061 KK Annotated Anodyne CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](CC)C(=O)O[C@@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1 ZINC000255222062 KK Annotated Anodyne COC(=O)C[C@@H]1C/C=C/C(=O)O[C@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C\c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1 ZINC000255222068 KK Annotated Anodyne COC(=O)C[C@@H]1C/C=C/C(=O)O[C@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1 ZINC000255222069 KK Annotated Anodyne COC(=O)C[C@@H]1C/C=C/C(=O)O[C@@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C/c2coc(C)n2)C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1 ZINC000255222070 KK Annotated Anodyne COC(=O)C[C@@H]1C/C=C/C(=O)O[C@@H]([C@H](C)[C@@H](OC)/C(C)=C/C=C/C(C)=C\c2coc(C)n2)C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H](O)C1 ZINC000255222071 KK Annotated Anodyne CO[C@@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)C[C@H]1O ZINC000255222095 KK Annotated Mild 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C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@H]4O[C@@]4(CO)[C@@H](O)[C@@]4(O)CC(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C\c1ccccc1 ZINC000255222460 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@H]4O[C@@]4(CO)[C@@H](O)[C@@]4(O)CC(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000255222461 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@H]4O[C@@]4(CO)[C@H](O)[C@@]4(O)CC(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000255222462 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C\CCCCCCC)O[C@@H]1[C@@H]1[C@H]4O[C@@]4(CO)[C@@H](O)[C@@]4(O)CC(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C\c1ccccc1 ZINC000255222463 KK Annotated Mild CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)c([C@@H]6C[C@@H]7[C@H](C(=O)OC)[C@H](Cc8c6[nH]c6ccccc86)N(C)C[C@]76O[C@@H]6C)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000255222476 KK Annotated Anodyne C[C@H]1OC(=O)[C@@H](O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)[C@@H](O)C[C@@]2(C(=O)O)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C ZINC000255222479 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@H](/C=C/C)C(C)(C)[C@@H](O)C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255222489 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@@](C)(O)CC(=O)C[C@@H](C(=O)OC)[C@@H]1CC[C@]23C[C@]12C=C[C@@H]1[C@@]2(C)CC=C4C[C@@H](c5ccccc5)OC[C@]4(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255222497 KK Annotated Mild CC(=O)C[C@@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)O1 ZINC000255222504 KK Annotated Mild CC(=O)C[C@@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C#CC2=C(C)C[C@@H](O)CC2(C)C)O1 ZINC000255222505 KK Annotated Mild 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@H](C)C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000255222507 KK Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C\C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000255222520 KK Annotated Mild COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000255222521 KK Annotated Mild CO/C1=C\C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@@H](OC)[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2(O)C[C@@H](OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000255222522 KK Annotated Mild CO/C1=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)NC3=C(O)CCC3=O)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000255222523 KK Annotated Mild CO[C@H]1O[C@H]([C@@H](C)[C@H]2C[C@H](OC(C)=O)[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)CC=C1C ZINC000255222556 KK Annotated Anodyne C/C=C1/C[N@+]2([O-])CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(OC)cc45)[C@H](C[C@@H]12)N3C ZINC000255222592 KK Annotated Bother C[C@@H]1O[C@H]1/C=C\C(=O)Oc1c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c(-c2ccc(O)cc2)c(OC(=O)/C=C\[C@H]2O[C@@H]2C)c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c1-c1ccc(O)cc1 ZINC000255222593 KK Annotated Anodyne C[C@@H]1O[C@H]1/C=C\C(=O)Oc1c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c(-c2ccc(O)cc2)c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c(OC(=O)/C=C\[C@@H]2O[C@H]2C)c1-c1ccc(O)cc1 ZINC000255222594 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4C=Cc5c(cc6c(c5C)O[C@@H]5[C@H](O6)c6c(cc(O)c(O)c6C)[C@]6(C)CC[C@@]7(C)[C@@H]8C[C@](C)(C(=O)OC)CC[C@]8(C)CC[C@]7(C)[C@@H]56)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255222596 KK Annotated Clean C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/C=C/CCCCC)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255222712 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255222713 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255222714 KK Annotated Anodyne CC(=O)O[C@@H](C(=O)C=C(C)C)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]12C ZINC000255222774 KK Annotated Mild CC(=O)O[C@H]1[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H]4O[C@@H]2OC4(C)C)[C@@]1(C)[C@@H](O)C3 ZINC000255222817 KK Annotated Anodyne CN1CC[C@@]23c4cccc([C@]56CCN(C)[C@H]5Nc5ccccc56)c4N[C@@H]1[C@]21CCN(C)[C@H]3Nc2c1cccc2[C@]12CCN(C)[C@H]1Nc1ccccc12 ZINC000255222843 KK Annotated Anodyne CC(C)=CC[C@H]1CC=C(C)[C@@H](/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CC[C@H](C/C=C(\C)CO)C2(C)C)C1(C)C ZINC000255222864 KK Annotated Bother CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@H]2[C@@H](C)[C@H]2/C=C/[C@@H]2O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]2O)CC=C1C ZINC000255222870 KK 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=C(C)/C=C\[C@H](CC=C(C)C)C(C)(C)O ZINC000255222890 KK Annotated Bother 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=C(C)\C=C/[C@H](CC=C(C)C)C(C)(C)O ZINC000255222891 KK Annotated Bother CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255222896 KK Annotated Reactive CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255222897 KK Annotated Reactive CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C=O)/C=C\C=C(C)\C=C/C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255222898 KK Annotated Reactive CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)/C=C/C=C(C)/C=C/C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255222899 KK Annotated Reactive C/C=C(\C)C(=O)O[C@H]1CC[C@]2(O[C@@H]3C4=C(C)C(=O)O[C@@H]4C[C@@]4(O)CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]34C)C[C@H]3OC(=O)C(C)=C3[C@@H](O)[C@]2(C)[C@H]1C ZINC000255222910 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@H]1[C@@H](C)[C@H](OS(=O)(=O)O)[C@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H]1[C@@H](C)[C@H](OS(=O)(=O)O)[C@H](O)CC1(C)C ZINC000255222916 KK Annotated Bother C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)C(=O)OC[C@@H](O)[C@]3(C)CC[C@@H]4[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]4(C)CC(=O)O)O3)[C@@]2(C)CC(=O)O)O1 ZINC000255222938 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2CCC(=O)O2)=C[C@@H]3[C@@H]2O[C@@]3(C[C@@H](C)C[C@H]2O3)C[C@@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H](C)[C@@H]2O ZINC000255222940 KK Annotated Mild C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H]2O[C@@H]2/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)C(=O)CCC)C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255223063 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC=C8[C@@]9(C)CC[C@@]%10(C)[C@H](O)C(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@@]78C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255223309 KK 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#CC2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000255223378 KK Annotated Mild CC/C1=C\[C@H](CO)C[C@@H](C)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)C(=C3O)C(=O)[C@]2(CC)[C@H]1C(C)=C[C@@H]1[C@@H](O)CC(=O)[C@H](C)[C@H]12 ZINC000255223406 KK Annotated Mild CCC1=C[C@H](CO)C[C@@H](C)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)O2)[C@H](C)CCC[C@]2(C)C=C(C)[C@H](C)C[C@]23OC(=O)C(=C3O)C(=O)[C@]2(CC)[C@H]1C(C)=C[C@@H]1[C@@H](O)CC(=O)[C@H](C)[C@H]12 ZINC000255223407 KK Annotated Mild C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc(OC)cc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255223409 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=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)CC[C@H](C)C(C)C)[C@@H]1C ZINC000255223435 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255223437 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255223438 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C ZINC000255223439 KK Annotated Anodyne COC/C=C/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000255223446 KK Annotated Anodyne CC[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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1CC3)C(C)C ZINC000255223644 KK Annotated Anodyne CC[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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1CC3)C(C)C ZINC000255223647 KK Annotated Anodyne CC[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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1CC3)C(C)C ZINC000255223649 KK Annotated Anodyne COC(=O)[C@H]1CC(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)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000255223664 KK Annotated Mild CC[C@H](C(=O)O)[C@@H]1CC[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)O1 ZINC000255223668 KK Annotated Anodyne CC[C@H](O)[C@H](C)[C@H](O)C[C@H](O)[C@@H](O)/C=C(\C)C[C@H](C)[C@H]1C[C@@H](O)[C@@H](C)/C=C/C=C/C[C@@H](C)C(=O)C[C@@H]2CC[C@H](C)[C@](O)(C/C=C(C)\C=C(/C)[C@@H](O)C/C=C(\C)C(=O)O1)O2 ZINC000255223682 KK Annotated Anodyne CO[C@H]1[C@@H](C)[C@@H](C[C@@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@@H]5O[C@@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@@H](C)C(=O)O)[C@@H]1C ZINC000255223712 KK Annotated Anodyne CC(=C/C[C@H](O)C[C@@H](C)O)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223722 KK Annotated Anodyne CC(=C/C[C@@H](O)C[C@H](C)O)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223724 KK Annotated Anodyne CC(=C/C[C@@H](O)C[C@H](C)O)/C=C(C)\C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223725 KK Annotated Anodyne CC(=C\C[C@H](O)C[C@@H](C)O)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223727 KK Annotated Anodyne CC(=C/C(C)=C/C[C@@H](O)C[C@H](C)O)/C=C(C)\C=C\C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223728 KK Annotated Anodyne CC(=C/C(C)=C/C[C@H](O)C[C@@H](C)O)/C=C(C)\C=C\C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223731 KK Annotated Anodyne CC(=C/C[C@H](O)C[C@@H](C)O)/C=C(C)\C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223736 KK Annotated Anodyne CC(=C\C[C@@H](O)C[C@H](C)O)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255223739 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CCCC1(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 ZINC000255223879 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)CO[C@H]1C(C)(C)OC(C)=O ZINC000255224010 KK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255224022 KK Annotated Anodyne COC(=O)[C@H](C/C=C\C(C)(C)O)[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 ZINC000255224024 KK Annotated Anodyne COC(=O)[C@H](C/C=C/C(C)(C)O)[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 ZINC000255224025 KK Annotated Anodyne CC1=C[C@H]2C(=O)O[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\OC[C@H]([C@@H]1O)[C@@]42O)O[C@]1(C3)C[C@@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O1 ZINC000255224053 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1[C@@H](O)C(C)=C1[C@@H](O)C[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255224062 KK Annotated Anodyne Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)[C@H](O)C(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255224069 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)[C@H](O)C(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@]1(C)O2 ZINC000255224070 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)[C@H](O)C(=O)[C@H](C)C[C@@H]5[C@]4(C)CC[C@]13C)O[C@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@]1(C)O2 ZINC000255224071 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)[C@H](O)C(=O)[C@H](C)C[C@@H]5[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255224072 KK Annotated Mild CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@@H]3CC[C@H]4[C@@H]5[C@H](CC[C@@]34C)[C@@]3(C)C(=CC(=O)C[C@@H]3OC(C)=O)C[C@H]5O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255224086 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@@H](OC(=O)/C=C/c3ccccc3)[C@@](C)(O)[C@@H]2CC/C(C)=C\C(=O)O)C(C)(C)[C@@H]1OC(=O)[C@@](C)(O)CC ZINC000255224096 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@@H](OC(=O)/C=C\c3ccccc3)[C@@](C)(O)[C@@H]2CC/C(C)=C\C(=O)O)C(C)(C)[C@@H]1OC(=O)[C@@](C)(O)CC ZINC000255224097 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255224103 KK Annotated Anodyne C/C(C#C/C=C(\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@@]12O[C@@H](CC1(C)C)C(=O)[C@@H]2C ZINC000255224117 KK Annotated Mild COc1cc([C@H]2O[C@@H]3C(=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)C[C@H](O)[C@@]4(C)[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]34)O[C@@H]2CO)ccc1O ZINC000255224142 KK Annotated Anodyne CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255224144 KK Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C\[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC[C@@H]1C ZINC000255224146 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C\[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC[C@@H]1C ZINC000255224147 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C\[C@H](C)/C=C\[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC[C@@H]1C ZINC000255224148 KK Annotated Anodyne COC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)[C@@]4(C[C@@H](C)C(C)=C[C@H]4C=C2C)OC3=O)C[C@]1(C)N ZINC000255224149 KK Annotated Mild C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@@]5(C)CN(CCOC[C@@H]6C[C@]78CC[C@H]6C[C@H]7[C@]67CCC[C@@]9(C)[C@H]6C[C@H]8[C@H]7N6CCO[C@@H]69)[C@@H]2[C@@H]3C[C@@H]45)[C@@H]1O ZINC000255224183 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255224188 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12 ZINC000255224219 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)[C@@H]12 ZINC000255224220 KK Annotated Anodyne CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3CC[C@H]4[C@](O)(CC[C@H]5C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]54C)C[C@]3(C)CC[C@@H]12 ZINC000255224226 KK 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/C1=C(C)C[C@H](O)CC1(C)C)CO ZINC000255224235 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@H]1C)c(C(C)=O)c4C)[C@H](C)[C@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000255224255 KK Annotated Bother CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000255224256 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000255224257 KK Annotated Bother CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000255224258 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000255224259 KK Annotated Bother CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000255224260 KK Annotated Bother CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000255224261 KK Annotated Bother CC1=CC[C@@H](C/C=C(\C)CO)C(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=C/[C@@H]1C(C)=CC[C@@H](C/C=C\[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C ZINC000255224266 KK Annotated Bother CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](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]3C=C[C@]21C)OC(C)=O ZINC000255224267 KK Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](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]3C=C[C@]21C)OC(C)=O ZINC000255224268 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)[C@H](O)C(C)C)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3C[C@@H]([C@H]4OC4(C)C)O[C@H]3O)[C@]12C ZINC000255224546 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255224588 KK Annotated Mild C/C=C1/CN2CC[C@@]34c5cc([C@@H]6C[C@@]7(CC)CCCN8CCc9c(n6c6ccccc96)[C@H]87)c(O)cc5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25 ZINC000255225059 KK Annotated Clean CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@H]4[C@H](O)[C@@H](OC(=O)c4ccccc4)[C@]4(C)[C@@H]([C@@H](C)OC(=O)c6ccccc6)CC[C@]54O)C3)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255225064 KK Annotated Anodyne CC1(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)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 ZINC000255225119 KK Annotated Anodyne CC1(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)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 ZINC000255225126 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@@H]1C ZINC000255225332 KK Annotated Anodyne C=C1CC[C@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@H](C(=O)OC)[C@H](CC(=O)O)C(=O)O[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@H](CC(=O)OC)[C@@H](CC(=O)O)C(=O)O)C(=C)CC[C@H]12 ZINC000255225360 KK Annotated Mild C=C(C(=O)C[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255225420 KK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H]6O[C@H](c7ccc(CO)o7)OC[C@@]6(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000255225421 KK Annotated Anodyne C[C@@H]1C(=O)O[C@@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@H](O)[C@]34CO2)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC5)[C@H]1C ZINC000255225425 KK Annotated Anodyne CCC[C@H]1OC(=O)[C@H](C)[C@H]2CC[C@H](O2)[C@H](C)[C@@H]([C@@H](CC)[C@@H]2CC[C@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H]1C ZINC000255225430 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C ZINC000255225431 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255225440 KK Annotated Anodyne C/C(C=C=C1[C@H](O)C[C@@H](O)CC1(C)C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255225510 KK Annotated Mild C=C(C)[C@@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4[C@H](C)[C@@H](OC(=O)CCCCCC/C=C\C/C=C\CCCC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255225531 KK Annotated Mild C/C=C1\CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@H]4O)C[C@@H]1[C@H]2C(=O)OC ZINC000255225564 KK Annotated Anodyne C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C)[C@H](O)CC(C)C ZINC000255225579 KK Annotated Mild COC(C)(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=C(\C)CCCC(C)(C)OC ZINC000255225605 KK Annotated Bother CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000255225636 KK Annotated Mild CO[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@H]5O[C@H]6C[C@](OC)(OC6(C)C)[C@@H](C)[C@@H]5[C@@]4(C)CC(=O)[C@]32C)C(C)(C)C1=O ZINC000255225652 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255225656 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255225657 KK Annotated Anodyne CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@@H]([C@@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255225658 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1/C=C(/C)CC[C@H](O)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255225687 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1/C=C(\C)CC[C@H](O)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255225688 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1C=C(C)CC[C@H](O)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 ZINC000255225689 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)OC)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 ZINC000255225690 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)OC)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 ZINC000255225691 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)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 ZINC000255225692 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)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 ZINC000255225693 KK Annotated Anodyne CCCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1 ZINC000255225723 KK Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000255225726 KK Annotated Mild CC(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000255225742 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H](CO)SC[C@H](N)C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3 ZINC000255225758 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@H](CO)SC[C@H](N)C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3 ZINC000255225759 KK Annotated Mild CC(=O)O[C@H](C[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@H]1CC[C@@]4(CCC[C@H]42)N3C1)C(=O)[C@@]1(C)CO[C@]2(C)CC[C@H]1O2 ZINC000255225762 KK Annotated Anodyne CC(=O)O[C@H](C[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1)C(=O)[C@]1(C)CO[C@]2(C)CC[C@H]1O2 ZINC000255225763 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)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 ZINC000255225767 KK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255225790 KK Annotated Mild CC(=O)O[C@H]1C[C@H]([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C ZINC000255225794 KK Annotated Mild CC(=O)O[C@H]1C[C@H]([C@@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C ZINC000255225795 KK Annotated Mild CC(C)=CC[C@@H](/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/C1=C(C)CC[C@H](C/C=C(\C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C)C(C)(C)O ZINC000255225802 KK Annotated Bother CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)C2=CC[C@H]([C@@H](C)CC[C@]3(C(C)(C)O)CO3)[C@]21C ZINC000255225818 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@H](C(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 ZINC000255225923 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C/c4ccccc4)[C@]4(C)[C@H](C(C)=O)CC[C@]54O)C3)O[C@@H]2C)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000255225924 KK Annotated Anodyne CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C/c5ccccc5)[C@]5(C)[C@H](C(C)=O)CC[C@]65O)C4)C[C@H]3OC)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255225925 KK Annotated Anodyne CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@]6(O)[C@@H]5C[C@@H](OC(=O)/C=C\c5ccccc5)[C@]5(C)[C@H](C(C)=O)CC[C@]65O)C4)C[C@H]3OC)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255225926 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCC(=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)CC[C@H](C)C(C)C)[C@@H]1C ZINC000255225979 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC[C@H](O)C(C)(C)OC)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000255226115 KK Annotated Mild CC1=CC[C@@H](C/C=C(\C)CO)C(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=C/[C@@H]1C(C)=CC[C@@H](C/C=C(\C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1(C)C ZINC000255226116 KK Annotated Bother CC1=CC[C@@H](C/C=C(\C)CO)C(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=C/[C@@H]1C(C)=CC[C@@H](C/C=C(\C)CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1(C)C ZINC000255226117 KK Annotated Bother C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]21C ZINC000255226363 KK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]21C ZINC000255226364 KK Annotated Mild C=C(C(=O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@]1(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@H]1CC3)[C@@H](C)C(=O)O ZINC000255226386 KK Annotated Mild CO[C@H]1C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H]1OC ZINC000255226414 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5cc6c(cc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC)O[C@@H]1OC[C@@H]2[C@@H](C[C@@H]3c4c(c5cc(OC)ccc5n4C)C[C@H]2N3C)[C@@H]1[C@H]6C ZINC000255226460 KK Annotated Anodyne C/C=C1\CN2CC[C@@]34c5cc6c(cc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC)O[C@@H]1OC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(OC)cc45)[C@H](C[C@H]2[C@@H]1[C@H]6C)N3C ZINC000255226463 KK Annotated Anodyne COc1cc([C@H]2[C@@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](CC/C(C)=C/C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@]2(C)C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000255226582 KK Annotated Anodyne COc1cc([C@@H]2[C@@H](C(=O)O[C@@H]3C[C@H]4[C@H](CN(C)C[C@@H]4C)[C@H]3C)[C@H](CC/C(C)=C/C(=O)O[C@@H]3C[C@H]4[C@H](CN(C)C[C@@H]4C)[C@H]3C)[C@@]2(C)C(=O)O[C@@H]2C[C@H]3[C@H](CN(C)C[C@@H]3C)[C@H]2C)ccc1O ZINC000255226585 KK Annotated Anodyne C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@]1(C)C[C@H]1O[C@H]2O[C@@]3(O)[C@H](O[C@H](C[C@@]4(C)[C@@H]5CCC=C(C=O)[C@@]5(C)CC[C@H]4C)[C@@]34CO4)O[C@]2(O)[C@]12CO2 ZINC000255226605 KK Annotated Reactive C[C@H]1CC[C@@]2(C)C(C=O)=CCC[C@@H]2[C@@]1(C)C[C@@H]1O[C@H]2O[C@@]3(O)[C@H](O[C@@H](C[C@@]4(C)[C@@H](C)CC[C@@]5(C)C(C=O)=CCC[C@H]45)[C@]34CO4)O[C@@]2(O)[C@@]12CO2 ZINC000255226608 KK Annotated Reactive CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000255226616 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000255226619 KK Annotated Anodyne 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CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C\c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)/C=C/c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O ZINC000255226849 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)/C=C\c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O ZINC000255226852 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)/C=C/c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O ZINC000255226854 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000255226886 KK Annotated Bother C=C(C)[C@]1(O)[C@H]2O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)C(=CC(=C(Cl)Cl)[C@@H]4OC(=O)/C(C)=C/CCCCCCC)[C@@]1(O3)[C@@H]2C ZINC000255226926 KK Annotated Mild C=C(C)[C@]1(O)[C@H]2O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)C(=CC(=C(Cl)Cl)[C@@H]4OC(=O)/C(C)=C\CCCCCCC)[C@@]1(O3)[C@@H]2C ZINC000255226929 KK Annotated Mild CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)[C@@H](O)[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1 ZINC000255227022 KK Annotated Mild CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000255227032 KK Annotated Anodyne CC(=O)OC[C@@H](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)CC[C@H](C)C(C)(C)[C@H]3C=C[C@]21C)OC(C)=O ZINC000255227081 KK Annotated Anodyne CCOC(=O)/C=C/C(C)=C/C[C@H](O)C[C@@H]1C=CC[C@@H](C[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]2C[C@H](OC)C[C@H](C)O2)O1 ZINC000255227090 KK Annotated Anodyne CCCCC[C@@]1(OC(=O)c2coc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255227105 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[P@](=O)(O)O[C@H]2C[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]3(C)CC[C@H](OS(=O)(=O)O)C[C@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000255227163 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[P@](=O)(O)O[C@H]2C[C@@H]3[C@H](CC[C@@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@@H]4[C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H](OS(=O)(=O)O)C[C@H]23)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000255227165 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@@H](C2)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000255227408 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000255227410 KK Annotated Anodyne Cc1c2c(cc3c1C(=O)C[C@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)[C@@H](O)[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255227475 KK Annotated Mild OC[C@H](COCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@H]2[C@H]2CC[C@H]21)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@H]2[C@H]2CC[C@H]21 ZINC000255227529 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H](C(C)(C)O)CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255227594 KK Annotated Mild CO[C@@H]1CC[C@@H](O[C@H]2C[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@@]3(CC[C@@](C)([C@@H]4CC[C@@H](C)[C@]5(O4)O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@H]5C)O3)[C@H]2C)O[C@H]1C ZINC000255227599 KK Annotated Mild CO[C@H]1CC[C@H](O[C@@H]2C[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@@]3(CC[C@@](C)([C@H]4CC[C@@H](C)[C@@]5(O[C@@H]([C@H]6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)[C@@H]2C)O[C@@H]1C ZINC000255227603 KK Annotated Mild CO[C@@H]1CC[C@@H](O[C@@H]2C[C@@H]([C@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O[C@@]3(CC[C@@](C)([C@H]4CC[C@@H](C)[C@@]5(O[C@@H]([C@H]6O[C@@](O)(CO)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)[C@@H]2C)O[C@H]1C ZINC000255227605 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=CC[C@H](C/C=C(\C)CO)C1(C)C ZINC000255227627 KK Annotated Anodyne CO[C@H]1CC(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]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)=C1C(C)=O ZINC000255227911 KK Annotated Mild C=C[C@]1(/C=C/[C@H]2C(=C)CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)CCC=C(/C=C/[C@H]2C(=C)CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)OC)C1 ZINC000255227949 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)/C=C/c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)CO[C@H]1C(C)(C)O ZINC000255227954 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)/C=C\c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)CO[C@H]1C(C)(C)O ZINC000255227956 KK Annotated Anodyne C=C(C[C@H]1O[C@]2(O)[C@@H]([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@H]2O)[C@@]1(C)O)C(C)C ZINC000255227976 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C(=O)[C@]1(C)CCCC1(C)C ZINC000255228253 KK Annotated Mild C[C@H]1[C@H](C)CC[C@]2(C)C[C@H](OC(=O)c3ccccc3)[C@]3(C)C(=C(O)[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@H]12 ZINC000255228379 KK Annotated Mild C/C=C/C(=O)C[C@@H]1CC[C@]2(O)C[C@H](C)[C@@H](CCCNC(=O)[C@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@H](CC[C@@H](C)/C=C(\C)[C@H](C)OC(C)=O)O3)O2 ZINC000255228409 KK Annotated Mild CC(=O)OC[C@]12CCC(=O)C(O)=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)[C@@H](OC(C)=O)C[C@H]12 ZINC000255228420 KK Annotated Mild C=C1Cc2ccc3[nH]c4c5c3c2[C@]2(O)[C@H]1C[C@H]2C(C)(C)O[C@@H]5[C@H]1CC[C@]2(O)[C@@]35O[C@@H]3[C@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000255228451 KK Annotated Mild CC(C)=CC[C@H](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)/C=C/[C@H]([C@H]1CC(C)(C)OO1)C(C)(C)O)C(C)(C)O ZINC000255228652 KK Annotated Reactive COC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)[C@@]4(C[C@@H](C)C(C)=C[C@H]4C=C2C)OC3=O)C[C@]1(C)[N+](=O)[O-] ZINC000255228665 KK Annotated Mild CCC(=O)O[C@H](C/C=C(\C)C(=O)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@H]1C[C@@H](C)C[C@@]2(C[C@@H](C)C[C@H]([C@@H](O)/C(C)=C/CC[C@H](C)CC(=O)OC)O2)O1)OC(=O)CC(C)C ZINC000255228715 KK Annotated Anodyne CCC(=O)O[C@H](C/C=C(\C)C(=O)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@@H](C)C[C@@H]([C@@H](O)/C(C)=C/CC[C@H](C)CC(=O)OC)O2)O1)OC(=O)CC(C)C ZINC000255228716 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)NC[C@H](O)[C@H](O)[C@H](O)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 ZINC000255228734 KK Annotated Mild CCOC(C)(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OC)O1 ZINC000255228745 KK Annotated Anodyne CCCCC/C=C/C=C/C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000255228825 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000255228977 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)/C=C/N(C)C=O ZINC000255228979 KK Annotated Anodyne CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@H]5C[C@@H]([C@@H]6OC6(C)C)OC5=O)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000255228993 KK Annotated Anodyne CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000255229207 KK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255229225 KK Annotated Anodyne CC[C@H](O)C[C@@H]1O[C@@]2(CC[C@H]1C)C[C@H]1OC(=O)/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@@H](O)[C@@](C)(O)CCCCC/C=C/[C@H](CC(C)C)C(=O)C[C@@H](O2)[C@@H]1C ZINC000255229257 KK Annotated Anodyne 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COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC[C@H]8[C@@]7(C)CC[C@@]7(C)[C@@H]9C[C@@H](C)C(=O)[C@@H](O)[C@]9(C)CC[C@]87C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255230579 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255230754 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255230758 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255230763 KK Annotated Mild COC(=O)C[C@H]1[C@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](C)[C@@]3(C(C)=C[C@H](OC(C)=O)[C@@]4(C)[C@@H](OC(C)=O)C[C@]5(C)C[C@]34OC5=O)[C@H]2[C@H](OC(=O)c2ccccc2)C[C@]1(C)[C@@H](C)C(=O)OC ZINC000255230777 KK Annotated Anodyne CO[C@@H]1CC[C@@H](O[C@H]2C[C@H]([C@]3(C)CC[C@]4(C[C@H](O)C[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O4)O3)O[C@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)[C@@H]2C)O[C@H]1C ZINC000255230789 KK Annotated Mild CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc(OC)c([C@H]6C[C@H]7[C@@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000255230835 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255230837 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255230840 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000255230876 KK Annotated Mild C=C1[C@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)[C@H](OC(=O)c2ccccc2)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(=O)c1ccccc1 ZINC000255230891 KK Annotated Mild C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=C/C(=N\CCc7ccc(O)cc7)C=C[C@]6(C)[C@H]5CC[C@@]42C)N3C1 ZINC000255230896 KK Annotated Mild C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=C/C(=N/CCc7ccc(O)cc7)C=C[C@]6(C)[C@H]5CC[C@@]42C)N3C1 ZINC000255230898 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3C=C[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@@H](C)N(C)C ZINC000255231108 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@@H](OC(C)=O)C(C)(C)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 ZINC000255231169 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]23Oc4c(c(O)cc5c4CN(CCCC[C@H](C(=O)O)N4Cc6c(cc(O)c7c6O[C@@]68CC[C@H](OC(C)=O)C(C)(C)[C@@H]6CC[C@H](C)[C@@]8(C)C7)C4=O)C5=O)C[C@]2(C)[C@@H](C)CC[C@H]3C1(C)C 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C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@@H]3[C@@H]5C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255231495 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255231497 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@@H]3[C@@H]5C4)C[C@H]1[C@H]2C(=O)OC ZINC000255231499 KK Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255231677 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255231681 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@@H](CC)[C@H]3[C@H]5C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255231685 KK Annotated Anodyne CCC[C@@H](C)[C@@H]1O[C@@]2(C=C[C@H]1C)C[C@H]1C[C@H](C/C=C(\C)[C@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@H](C)/C=C/C=C3\OC[C@H]4[C@@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000255231695 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@@H]([C@@H]3C(C=O)=C[C@H](O)[C@H]4C(C)(C)CC[C@@H](OC(=O)/C=C/c5ccc(OC)cc5)[C@]34C)O[C@H]12 ZINC000255231810 KK Annotated Reactive CCC1=C[C@H]2[C@@H]3CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]4CC[C@H](N(C)C)[C@@H](C)O4)[C@@H](C)C(=O)C3=C[C@H]2[C@@H]2C[C@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]3OC)C[C@@H]12 ZINC000255231858 KK Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@@H](C)/C=C/C=C(\C)[C@]4(O)CC(=O)C(C)=C[C@H]4C(=O)O3)O2)C[C@H](O)[C@@H]1C ZINC000255231869 KK Annotated Mild COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC[C@H]3[C@]4(C)C[C@H]5O[C@]6(C[C@@H](C)C(=O)O6)C[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@]34C[C@]21OO4 ZINC000255231875 KK Annotated Reactive COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC[C@H]3[C@]4(C)C[C@H]5O[C@@]6(C[C@@H](C)C(=O)O6)C[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@]34C[C@]21OO4 ZINC000255231881 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](OC(C)=O)[C@@H]2[C@H](C)C(=O)C=C[C@]32C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000255231899 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](OC(C)=O)[C@@H]2[C@H](C)C(=O)C=C[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255231903 KK Annotated Mild CCC(=O)O[C@H](C/C=C(\C)C(=O)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@@H](C)C[C@@H]([C@@H](O)C(C)=O)O2)O1)OC(=O)CC(C)C ZINC000255231969 KK Annotated Anodyne CCC(=O)O[C@H](C/C=C(\C)C(=O)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@H]1C[C@@H](C)C[C@@]2(C[C@@H](C)C[C@H]([C@@H](O)C(C)=O)O2)O1)OC(=O)CC(C)C ZINC000255231978 KK Annotated Anodyne CC(C)=CCC[C@@H](COC(=O)c1ccccc1)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255232130 KK Annotated Anodyne CC[C@@H](O)C[C@H]1CC[C@@H]([C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)O[C@H](CC)C[C@H]3CC[C@@H]([C@H](C)C(=O)O[C@@H](C)C[C@@H]4CC[C@H]([C@@H](C)C(=O)O)O4)O3)O2)O1 ZINC000255232542 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC[C@]23C)C1(C)C ZINC000255232587 KK Annotated Anodyne CCO[C@@H]1N2[C@@H](CC[C@@]13CS[C@@]1(CC[C@@H]4[C@H](C)CC[C@H](c5ccoc5)N4[C@@H]1OCC)C3)[C@H](C)CC[C@@H]2c1ccoc1 ZINC000255232601 KK Annotated Anodyne CCO[C@H]1N2[C@H](c3ccoc3)CC[C@@H](C)[C@@H]2CC[C@@]12CS[C@@]1(CC[C@H]3[C@H](C)CC[C@@H](c4ccoc4)N3[C@@H]1OCC)C2 ZINC000255232616 KK Annotated Anodyne CCC[C@H](O)[C@]1(CC)C[C@@H](C)[C@](O)([C@]2(C)C[C@@H](C)[C@H]([C@H](CC)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]3O[C@](O)(CCC)[C@@H](C)[C@H](O)[C@H]3CC)O2)O1 ZINC000255232646 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccco2)N2C[C@@]3(CC[C@@H]12)C[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccco4)N2C1)C[S@]3=O ZINC000255232747 KK Annotated Anodyne CC(=O)C[C@@H]1C[C@H]2[C@@H]([C@H](O)[C@@]34CC/C=C\CCCCN3C[C@@]23CC/C=C\CCCCN[C@@H]43)[C@@H]2c3[nH]c4ccccc4c3CCN12 ZINC000255232788 KK Annotated Anodyne CC(=O)C[C@H]1C[C@H]2[C@@H]([C@H](O)[C@@]34CC/C=C\CCCCN3C[C@@]23CC/C=C\CCCCN[C@@H]43)[C@@H]2c3[nH]c4ccccc4c3CCN12 ZINC000255232808 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@H](CC)[C@H]2CC[C@H](O2)[C@@H](C)[C@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C ZINC000255233376 KK Annotated Anodyne CCC[C@H]1OC(=O)[C@H](CC)[C@H]2CC[C@H](O2)[C@H](C)[C@@H]([C@@H](CC)[C@@H]2CC[C@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@@H]1C ZINC000255233382 KK Annotated Anodyne CC/C=C(\C)[C@H]1O[C@@]2(C[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\OC[C@@H]5[C@@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@@H](O)[C@@H]1C ZINC000255233545 KK Annotated Anodyne COc1cc2c(cc1[C@H](C)[C@H]1[C@H](OC(C)=O)OC[C@H]3[C@@H]4Cc5c(n(C)c6ccccc56)[C@H](C[C@@H]13)N4C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000255233585 KK Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)CC(C)C)[C@@]1(C)[C@@H]23 ZINC000255233590 KK Annotated Anodyne CC1=C[C@@H](/C=C(C)/C=C/C=C(\C)C(=O)NC[C@H]2CCN3CCC[C@H]23)[C@](C)(/C=C/C=C(C)/C=C/C(=O)NC[C@H]2CCN3CCC[C@H]23)CC1 ZINC000255233699 KK Annotated Anodyne C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 ZINC000255233776 KK Annotated Reactive CCO[C@H]1N2[C@@H](CC[C@@]13CS[C@@]1(CC[C@H]4[C@@H](C)CC[C@H](c5ccoc5)N4C1)C3)[C@H](C)CC[C@@H]2c1ccoc1 ZINC000255234223 KK Annotated Anodyne CO[C@@H](C[C@H]1OC(=O)C[C@@H](O)C[C@@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@@H](OC)[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O ZINC000255234231 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C\N(C)C=O ZINC000255234232 KK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[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]1OC(C)=O ZINC000255234240 KK Annotated Anodyne CCOCC1=C[C@H](OC(C)=O)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C ZINC000255234249 KK Annotated Anodyne C/C=C\CC/C=C\C/C=C\CCCCCCCC(=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 ZINC000255234252 KK Annotated Anodyne CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C=O)CC[C@]12C ZINC000255234266 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC=C4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)/C=C/[C@@H](CC)C(C)C)C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255234273 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC=C4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)/C=C\[C@@H](CC)C(C)C)C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255234276 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@@H](CC=C4[C@H]3CC[C@]3(C)[C@H]4CC[C@@H]3[C@H](C)/C=C\[C@H](CC)C(C)C)C2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255234279 KK Annotated Mild CCO[C@@H]1O[C@H]2[C@H](O)C[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]31[C@H]2C ZINC000255234364 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@@H]([C@@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000255234522 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@@H]([C@@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255234528 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255234530 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](OC)[C@@H](C)[C@@H]1OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@@H]2O)[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255234531 KK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255234534 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255234535 KK Annotated Anodyne CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](CC)C(=O)O[C@@H]([C@H](CC)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000255234536 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](CC(=O)[C@]45C[C@@H]4O[C@@]7(CCC(C)(C)O7)[C@@H](C)[C@@H]4[C@]5(C)O)[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CCC(C)(C)O2 ZINC000255234542 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](CC(=O)[C@]45C[C@@H]4O[C@@]7(CCC(C)(C)O7)[C@@H](C)[C@@H]4[C@]5(C)O)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000255234549 KK Annotated Anodyne CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC=C4C[C@@H](O[C@H]5OC[C@@H](O)[C@H]6OC(=O)C(=O)O[C@H]56)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255234611 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C[C@H](OC(C)=O)[C@]45C(=O)O[C@@](C)(CCCC(C)C)[C@@]4(O)CC[C@@]5(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255234685 KK Annotated Anodyne COC(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)CC/C=C(\C)CC/C=C(\C)CC=C(C)C ZINC000255234694 KK 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=C/C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)C1=O ZINC000255234863 KK 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=C\C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)C1=O ZINC000255234864 KK 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=C\C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)C1=O ZINC000255234865 KK 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=C\C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)C1=O ZINC000255234866 KK 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=C/C2=C(C)C(=O)[C@@H](O)C2(C)C)C(C)(C)[C@H](O)C1=O ZINC000255234868 KK Annotated Mild CC[C@@H]1OC(=O)C[C@@](O)(C/C=C/C=C(\C)[C@@H]2OC(=O)CC/C=C(\C)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(N)=O)/C=C\C=C/[C@@H]2C)[C@H]1C ZINC000255234894 KK Annotated Anodyne C/C1=C\CC[C@](C)(O)[C@H]2C[C@H](CC[C@@]3(C)O[C@H]3CC1)[C@@H](CC[C@@]1(O)C(=O)O[C@@H]3C[C@@]1(C)CC[C@@]1(C)O[C@H]1CC/C(C)=C/CC[C@]3(C)O)C(=O)O2 ZINC000255234901 KK Annotated Anodyne CC1=CCC[C@](C)(O)[C@H]2C[C@H](CC[C@@]3(C)O[C@H]3CC1)[C@@H](CC[C@@]1(O)C(=O)O[C@@H]3C[C@@]1(C)CC[C@@]1(C)O[C@H]1CCC(C)=CCC[C@]3(C)O)C(=O)O2 ZINC000255234904 KK Annotated Anodyne COC(=O)[C@@H](O[C@@]1(O)[C@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@]1(C)[C@@H]([C@@H](O)C(=O)OC)C(C)(C)[C@@H]2O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000255234987 KK Annotated Anodyne COC(=O)[C@@H](O[C@]1(O)[C@@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@]1(C)[C@@H]([C@@H](O)C(=O)OC)C(C)(C)[C@@H]2O)[C@H]1C(C)(C)[C@H](O)[C@@H]2CC3=C(CC[C@]4(C)C3=CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O ZINC000255234990 KK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255234998 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC(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]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1 ZINC000255235071 KK Annotated Mild CCC[C@@H]1OC(=O)[C@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C ZINC000255235253 KK Annotated Anodyne C[C@@H]1CC[C@@]2(C)C(COC(=O)CCC(=O)O)=CCC[C@@H]2[C@@]1(C)CC[C@H]1CO[C@@H](O[C@H]2C[C@@H](CC[C@@]3(C)[C@H](C)CC[C@@]4(C)C(COC(=O)CCC(=O)O)=CCC[C@H]34)CO2)C1 ZINC000255235276 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)/C=C1/C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255235279 KK Annotated Mild CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)C[C@@H](O)/C(C)=C/C=C/[C@@H](C)[C@H]1C[C@@H](C/C=C/C(=O)O)CC(=O)O1)=C\c1coc(C)n1 ZINC000255235353 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000255235360 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255235362 KK Annotated Bother CO[C@@H]1[C@@H](OC(=O)c2ccc3c(c2)OCO3)[C@@H]2[C@@]3(C)C(=O)[C@@H](OC(=O)c4ccccc4)C[C@@H](C)[C@@H]3C[C@H]3OC(=O)C[C@@H]([C@H]1C)[C@@]23C ZINC000255235374 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H](COC(=O)CCC(=O)CCCCCC[C@@H](CCCCC)O[C@@H]3O[C@H](C)[C@H](OC(C)=O)[C@H](O)[C@H]3O2)[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000255235522 KK 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](OC(=O)/C=C\c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255235595 KK Annotated Anodyne COc1cc(O)cc(C)c1C(=O)O[C@H]1[C@H](C)O[C@H](O[C@@H]2CC(C)=C[C@H]3[C@H]2C[C@@H](C)[C@H]2/C(C)=C\CC/C(C)=C/[C@]4(C)C=C(C(=O)O)[C@@H](C)C[C@@]45OC(=O)C(=C5O)C(=O)[C@@]23C)[C@@H](O)[C@@H]1O ZINC000255235613 KK Annotated Mild COc1cc(O)cc(C)c1C(=O)O[C@H]1[C@H](C)O[C@H](O[C@@H]2CC(C)=C[C@H]3[C@H]2C[C@@H](C)[C@H]2C(C)=CCCC(C)=C[C@]4(C)C=C(C(=O)O)[C@@H](C)C[C@@]45OC(=O)C(=C5O)C(=O)[C@@]23C)[C@@H](O)[C@@H]1O ZINC000255235616 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@@]5(C=C[C@@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](OC)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255235620 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](OC)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255235622 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@H](C[C@H](C)O)O1)[C@@H]2C ZINC000255235641 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@H](CC1)O[C@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)[C@@H]2C ZINC000255235643 KK Annotated Anodyne CC(=O)O[C@H]1CC(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]2C(C)=C[C@@H](O)CC2(C)C)=C(C)C1=O ZINC000255235648 KK Annotated Mild CO[C@@H]1CC[C@H](O[C@@H]2C[C@@H](C)[C@@]3(O[C@@H]([C@H]4O[C@@](O)(CO)[C@H](C)C[C@@H]4C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O3)O2)O[C@@H]1C ZINC000255235650 KK Annotated Mild C=C[C@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(COC(=O)CC(=O)OC[C@]4(C)CCC[C@]5(C)[C@@H]4CC[C@@H]4C[C@@](C)(C=C)CC[C@@]45O)CCC[C@@]23C)C1 ZINC000255235688 KK Annotated Mild CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255235815 KK Annotated Anodyne C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(C[C@@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O2)O1)C[C@@H](C)/C=C/C=C1/COC(=O)c2cc(C)c(O)cc21 ZINC000255235875 KK Annotated Anodyne C/C(=C\C[C@@H]1C[C@H](O)C[C@]2(C[C@@H](O)[C@H](C)[C@@H](/C(C)=C/C(C)C)O2)O1)C[C@@H](C)/C=C/C=C1\COC(=O)c2cc(C)c(O)cc21 ZINC000255235878 KK Annotated Anodyne C/C=C\[C@H](O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255235879 KK Annotated Anodyne C/C=C/[C@H](O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255235881 KK Annotated Anodyne C/C=C\[C@H](O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(/C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255235883 KK Annotated Anodyne C/C=C/[C@H](O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(/C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000255235884 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)[C@H](OC(C)=O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]13C ZINC000255235885 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@@H](O)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000255235886 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)[C@H](O)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000255235887 KK Annotated Anodyne CC(C)=CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC[C@@](C)(O)CCC/C(C)=C/CC/C(C)=C/CC[C@](C)(O)[C@H](O)COC(=O)C[C@@](C)(O)CC(=O)O ZINC000255235888 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]([C@H](OC(C)=O)C(C)(C)OC(C)=O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]13C ZINC000255236000 KK Annotated Anodyne CO[C@]1(C)CO[C@@]2(C1)OC(=O)[C@H]([C@@H]1CC[C@]34C[C@]13CC[C@@H]1[C@@]3(C)CC=C5C[C@@H](c6ccc7c(c6)OCO7)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]14C)[C@H]2O ZINC000255236207 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)/C=C\c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)CO[C@H]1C(C)(C)OC(C)=O ZINC000255236231 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)/C=C/c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)CO[C@H]1C(C)(C)OC(C)=O ZINC000255236234 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C ZINC000255236275 KK Annotated Mild CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4=C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255236661 KK Annotated Anodyne C=C1CCCC2=NC[C@@H](C)[C@H](C)C[C@]23CCC(C(=O)CCC(=O)O)=C[C@H]3[C@H]2O[C@]3(C[C@H](C)C[C@@H]2O3)C[C@H]2O[C@]3(CC[C@]4(O[C@H](CC[C@]4(C)O)C1)O3)C[C@@H](C)[C@H]2O ZINC000255236728 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255236748 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H]5[C@H](C[C@H]34)O[C@@]3(CCC(C)(C)O3)[C@H]5C)[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000255236763 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@@H]5[C@H](C[C@H]34)O[C@@]3(CCC(C)(C)O3)[C@H]5C)[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000255236766 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC(=O)[C@H]3[C@@](C)(COC(=O)/C=C\c4ccc(O)cc4)[C@H](O)[C@H](O)C[C@]13C)C2 ZINC000255236783 KK Annotated Mild C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC(=O)[C@H]3[C@@](C)(COC(=O)/C=C/c4ccc(O)cc4)[C@H](O)[C@H](O)C[C@]13C)C2 ZINC000255236813 KK Annotated Mild CO[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@](C)(OC)C(C)(C)C)CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C ZINC000255236868 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC ZINC000255237282 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255237285 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255237287 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC ZINC000255237289 KK Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255237291 KK Annotated Anodyne CO[C@@H]1[C@H](O[C@H]2[C@@H](OCc3ccccc3)[C@@H](C)O[C@@H](O[C@H]3[C@@H](OCc4ccccc4)[C@@H](C)O[C@@H](OC)[C@H]3OC)[C@@H]2OCc2ccccc2)O[C@@H](C)[C@@H](OC)[C@@H]1OC ZINC000255237337 KK Annotated Anodyne CO[C@H]1O[C@H](C)[C@H](OCc2ccccc2)[C@H](O[C@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC)[C@H](OC)[C@H]3OC)[C@@H]2OCc2ccccc2)[C@@H]1OC ZINC000255237340 KK Annotated Anodyne CCCC[C@H]1C(=O)O[C@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@H](C)C=C(C)CCCC[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)CC=C(C)[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CC[C@@H](C)[C@@H]1O ZINC000255237367 KK Annotated Anodyne CCCC[C@H]1C(=O)O[C@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@H](C)/C=C(\C)CCCC[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H](O)C/C=C(\C)[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CC[C@@H](C)[C@@H]1O ZINC000255237370 KK Annotated Anodyne CCCC[C@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@H](C)/C=C(\C)CCCC[C@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C/C=C(\C)[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CC[C@H](C)[C@H]1O ZINC000255237372 KK Annotated Anodyne C=CC(=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/C1=C(C)C[C@H](O)CC1(C)C)C(C)(C)C ZINC000255237383 KK Annotated Mild C=C(C[C@H](OC(C)=O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000255237432 KK 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=C/C=C(C)/C=C/[C@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000255237561 KK 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=C/C=C(C)/C=C/[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000255237567 KK 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=C/C=C(C)/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)O)C(C)(C)C[C@@H](O)C1 ZINC000255237572 KK 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=C/C=C(C)/C=C/[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@@H](O)C1 ZINC000255237587 KK 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=C/C=C(C)/C=C/[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000255237593 KK Annotated Bother CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c([C@@H]5[C@@H]6C[C@@H]6[C@@]6(CC)CC(C(=O)OC)=C7Nc8cc(O)ccc8[C@@]78CCN5[C@H]86)cc14)[C@@H]32 ZINC000255237636 KK Annotated Clean COC(=O)/C=C1/C[C@@]2(C)C[C@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@](C)([C@@H](C)O)C[C@@]3(C)O[C@](O)(CC4=CC(=O)O[C@@]43C)C(C)(C)C=C[C@@](C)(C1)O2 ZINC000255237667 KK Annotated Anodyne COC(=O)/C=C1\C[C@@]2(C)C[C@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@](C)([C@@H](C)O)C[C@@]3(C)O[C@](O)(CC4=CC(=O)O[C@@]43C)C(C)(C)C=C[C@@](C)(C1)O2 ZINC000255237672 KK Annotated Anodyne COC(=O)/C=C1\C[C@@]2(C)C[C@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@](C)([C@@H](C)O)C[C@@]3(C)O[C@](O)(CC4=CC(=O)O[C@@]43C)C(C)(C)/C=C\[C@@](C)(C1)O2 ZINC000255237678 KK Annotated Anodyne COC(=O)/C=C1/C[C@@]2(C)C[C@]3(O)O[C@@](C)(C[C@H](OC(=O)C(C)(C)C)C3(C)C)C[C@@H](O)CC(=O)O[C@@](C)([C@@H](C)O)C[C@@]3(C)O[C@](O)(CC4=CC(=O)O[C@@]43C)C(C)(C)/C=C/[C@@](C)(C1)O2 ZINC000255237683 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@](C)(O)[C@H]3CC[C@@](C)(OC(C)=O)[C@H](CCC(C)=C[C@@H]12)O3 ZINC000255237752 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@](C)(O)[C@H]3CC[C@@](C)(OC(C)=O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000255237759 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@H](C)[C@@H]7C[C@H](OC(C)=O)C(=O)[C@]7(C)[C@@H](C[C@@H]54)O6)C3)C[C@H]2OC)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O[C@H]2C[C@@H](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 ZINC000255237883 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2[C@H](O)C[C@]3(C)C(=CC[C@H]3C3=C[C@@H](CC(C)C)O[C@H]3O)[C@]12C ZINC000255237890 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]56CO[C@](O)([C@H](O)C[C@H]5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)[C@@H]6C ZINC000255238459 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC ZINC000255238474 KK Annotated Mild CC1=CC[C@H](O)c2cc(O)cc3c2[C@](Nc2cc(O)cc(C(=O)O)c2)(C(=O)C=CC(C)=CC[C@H](O)c2cc(O)cc4c2[C@@](Nc2ccccc2C(=O)O)(C(=O)C=C1)C(=O)N4)C(=O)N3 ZINC000255239004 KK Annotated Mild CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255239128 KK Annotated Anodyne CC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](OC(C)=O)CC2(C)C)O1 ZINC000255239158 KK Annotated Mild CC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C#CC2=C(C)C[C@@H](OC(C)=O)CC2(C)C)O1 ZINC000255239169 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C/C=C\C=C\C(=O)[C@H]1C[C@@H](O)[C@@H](C)[C@H](/C=C/C[C@H]3O[C@H](C[C@H](O)[C@H]3C)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239186 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C\C=C\C(=O)[C@@H]1C[C@@H](O)[C@H](C)[C@H](/C=C/C[C@H]3O[C@H](C[C@H](O)[C@H]3C)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239196 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C\C=C\C(=O)[C@H]1C[C@@H](O)[C@@H](C)[C@H](/C=C/C[C@H]3O[C@H](C[C@H](O)[C@H]3C)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239204 KK Annotated Mild C/C(=C\[C@@H](C)CCCCC(=O)O)[C@@H]1O[C@H]2C=C[C@H]1OC(=O)/C=C/C=C/C=C/C(=O)[C@@H]1C[C@@H](O)[C@H](C)[C@@H](/C=C/C[C@@H]3O[C@@H](C[C@H](O)[C@H]3C)[C@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239209 KK Annotated Mild C/C(=C/[C@@H](C)CCCCC(=O)O)[C@H]1O[C@H]2C=C[C@H]1OC(=O)/C=C\C=C\C=C\C(=O)[C@@H]1C[C@@H](O)[C@H](C)[C@@H](/C=C/C[C@@H]3O[C@@H](C[C@H](O)[C@H]3C)[C@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239212 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C/C=C/C=C/C(=O)[C@H]1C[C@@H](O)[C@@H](C)[C@H](/C=C/C[C@H]3O[C@H](C[C@H](O)[C@H]3C)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239658 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C/C=C/C(=O)[C@H]1C[C@@H](O)[C@@H](C)[C@H](/C=C/C[C@H]3O[C@H](C[C@H](O)[C@H]3C)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239659 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C/C=C/C=C/C(=O)[C@@H]1C[C@@H](O)[C@H](C)[C@H](/C=C/C[C@H]3O[C@H](C[C@H](O)[C@H]3C)[C@@H](O)[C@@H](O)/C=C/CC/C=C/C2)O1 ZINC000255239664 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(O)c(O)c1C(=O)O)[C@H]1O[C@]2(CCC[C@@]3(O[C@](CC)([C@H]4CC[C@@](C)([C@@H](C)O)O4)C[C@H]3C)O2)[C@H](C)C[C@@H]1C ZINC000255239681 KK Annotated Clean CCC[C@@H]1OC(=O)[C@H](CC)[C@H]2CC[C@@H](C[C@H]([C@H](C)[C@H]3CC[C@@H](C[C@@H](CCC)N(C)C)O3)OC(=O)[C@@H](C)[C@H]3CC[C@H](O3)[C@H]1C)O2 ZINC000255239693 KK 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@@H](C(=O)c2ccccc2)[C@@H]1CC3)C(C)C ZINC000255239697 KK Annotated Mild CCCCC[C@@H]1OCO[C@]2(C)/C=C(C)/C=C/C(=O)O[C@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)/C=C/[C@H](C)[C@H](C)O)[C@@H](OC)/C=C/C=C(\C)C[C@H]1[C@@H]2O ZINC000255240043 KK Annotated Mild C[C@@H]1C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@@H](C)O2)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H]([C@@H](C)[C@H]2CC[C@@H](C)O2)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)C[C@H]2CC[C@@H]1O2 ZINC000255240083 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@H]4[C@@H](O)C[C@]32C)[C@@]2(C)CC[C@H](C(C)(C)O)[C@H]12 ZINC000255241441 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](O)C[C@]32C)[C@@]2(C)CC[C@H](C(C)(C)O)[C@H]12 ZINC000255241446 KK Annotated Anodyne C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OCc1ccccc1 ZINC000255241527 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C\CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OCc1ccccc1 ZINC000255241570 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)OC)C(C)=CC[C@@H]2C1(C)C ZINC000255241617 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)OC)C(C)=CC[C@@H]2C1(C)C ZINC000255241635 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](CC(C)=O)CC(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@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255241857 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1CC[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255242350 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1CC[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CCC(C)=C[C@@H]12)O3 ZINC000255242351 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]3(C)[C@@H]12 ZINC000255242529 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12 ZINC000255242533 KK 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C/C=C/C(=O)C[C@@H]1CC[C@]2(O)C[C@H](C)[C@@H](CCCNC(=O)[C@H](C)[C@@H]3CNC(=O)C[C@@H](O1)[C@@H](C)CCCC[C@H](CC[C@@H](C)/C=C(\C)[C@H](C)O)O3)O2 ZINC000255247881 KK Annotated Mild C=C1[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)/C=C/C=C/C=C/[C@H](C)CC)C(C)(C)O[C@H]3CC[C@@]2(C)[C@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000255247890 KK Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC(C)=C[C@@H](/C=C\CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@@H]1C ZINC000255247977 KK Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@]4(CC[C@]5(CC(C)=C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@@H]1C ZINC000255247980 KK Annotated Mild CC(=O)O[C@@H](C/C=C(/C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255248004 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255248006 KK Annotated Anodyne CNc1ccccc1C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H]([C@@H]5C[C@H]([C@H](O)C(C)(C)O)O[C@H]5OC)[C@]4(C)CC[C@H]23)C1(C)C ZINC000255248018 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CCC(=O)[C@@H](C)CC[C@H]2O[C@@H]1C[C@]2(C)O ZINC000255248048 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H]3C[C@@](C)(O)[C@H](CC[C@@H](C)C(=O)CC/C(C)=C/[C@H]12)O3 ZINC000255248051 KK Annotated Anodyne CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5O)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255248061 KK 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=C/[C@H]2[C@@H](C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000255248279 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@@H]1[C@@H]2C(=O)OC ZINC000255248364 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3COC(C)(C)[C@H]4OC(C)(C)O[C@@H]4C3)[C@]12C ZINC000255248706 KK Annotated Mild CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](c4ccc5c(c4)[C@@]46CCN7CC=C[C@@]8(C[C@@H](C(=O)OC)[C@]4(N5)[C@H]8C)[C@H]76)C1)[C@@H]32 ZINC000255248709 KK Annotated Anodyne CC1=CC[C@H](O)[C@H](C)[C@@H](O)C=CC=CC=C[C@H]2C(C)=C[C@H]3[C@H]([C@@H]2[C@@H](c2ccc(O)cc2)OC(=O)C=C1)C(C)(C)C[C@]3(C)O ZINC000255248749 KK Annotated Anodyne CC1=C[C@H]2[C@H]([C@H]3[C@@H](c4ccc(O)cc4)OC(=O)/C=C/C(C)=C\C[C@H](O)[C@H](C)[C@H](O)/C=C\C=C\C=C/[C@@H]13)C(C)(C)C[C@]2(C)O ZINC000255248752 KK Annotated Anodyne CC1=C[C@H]2[C@H]([C@@H]3[C@@H](c4ccc(O)cc4)OC(=O)/C=C/C(C)=C/C[C@H](O)[C@H](C)[C@@H](O)/C=C/C=C/C=C\[C@@H]13)C(C)(C)C[C@]2(C)O ZINC000255248756 KK Annotated Anodyne C=C1CC[C@@H](C[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@@H](/C(O)=C3\C(=O)[C@H](C(C)C)N([C@H]4C[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]4OC)C3=O)[C@@H]12 ZINC000255248782 KK Annotated Mild C=C1CC[C@@H](C[C@H]2C[C@@](O)([C@H](C)NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@@H](/C(O)=C3/C(=O)[C@H](C(C)C)N([C@H]4C[C@H](C)[C@H](OC(N)=O)[C@H](OC(C)=O)[C@@H]4OC)C3=O)[C@@H]12 ZINC000255248787 KK Annotated Mild CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)[C@@H]2CC[C@H]([C@@H](C)CC[C@]3(C(C)(C)O)CO3)[C@]21C ZINC000255248883 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C\c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255249299 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255249302 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@H](OC(=O)/C=C/c5ccc(O)cc5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255249305 KK Annotated Mild CO[C@H]1C[C@@]2(O[C@@H](C/C=C/c3coc(C)n3)[C@H]1C)O[C@H]([C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)OC)[C@@H](OP(=O)(O)O)C2(C)C ZINC000255249317 KK Annotated Anodyne COC(=O)c1nc(-c2nc([C@@H](OC)[C@@H](C)C(=O)/C=C/C[C@@H](O)CC(=O)O[C@@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)[C@H](C)CC/C=C/C(N)=O)co2)co1 ZINC000255249349 KK Annotated Mild C=CC(=C)CC[C@]1(C)[C@H](C)[C@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000255249413 KK Annotated Mild C/C=C1/C[N@+]2([O-])CC[C@@]34Cc5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 ZINC000255249639 KK Annotated Bother C/C=C1\C[N@+]2([O-])CC[C@@]34Cc5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 ZINC000255249645 KK Annotated Bother CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3C[C@H](O)[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C(C)(C)C1=O ZINC000255249757 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000255249806 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)C[C@@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000255249808 KK Annotated Anodyne C=C[C@H](O)[C@@H](O)[C@H]1C[C@@H](C)[C@H](CC(=O)O[C@@H](/C=C/C=C(\C)[C@@H](O)C(=C)CCCC)[C@@H]2CC[C@H](CC(=O)CC[C@H](O)[C@H](C)[C@H](O)[C@@H](C)C(=C)C)O2)O1 ZINC000255249852 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)OC)C(=C)CC[C@H]21 ZINC000255249855 KK Annotated Mild CO[C@H]1O[C@@H]([C@H](O)C(C)(C)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 ZINC000255250132 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)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 ZINC000255250137 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@@H](O)C(C)(C)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 ZINC000255250142 KK Annotated Anodyne CO[C@@H]1O[C@H]([C@@H](O)C(C)(C)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 ZINC000255250145 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000255250182 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255250183 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255250184 KK Annotated Mild C=C[C@@H]1C=C(C)[C@H]2[C@H]3[C@H]1C(=O)[C@@H]1C[C@](OCC)(Cc4ccc(cc4)O[C@@H]3[C@@H]3[C@@H](C)C[C@@H](C)C[C@@]23C)NC1=O ZINC000255250185 KK Annotated Mild C/C=C1/CN2[C@H]3Cc4c(n(C)c5ccc([C@H]6C[C@H]7/C(=C\C)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)cc45)[C@]2(O)C[C@@H]1[C@H]3CO ZINC000255250222 KK Annotated Anodyne CC(C)(O)[C@@H]1OC[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)Cc4ccccc4)[C@@]32C)C[C@H]1O ZINC000255250285 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C[C@@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@]3(CC[C@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@@H]2C ZINC000255250576 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](Cl)[C@]2(C)CC[C@@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255250607 KK Annotated Reactive COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](Cl)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255250611 KK Annotated Reactive COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H](Cl)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255250614 KK Annotated Reactive CC(=O)O[C@H]1[C@H](N(C)C(=O)C=C(C)C)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]12 ZINC000255250633 KK Annotated Anodyne CC(C)[C@@H](C)[C@H]1C[C@@H]1[C@@H](C)[C@H]1CC[C@@H]2[C@H]1[C@H](C)[C@@H](O)[C@@H]1[C@@H]2CC=C2C[C@@H](O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC[C@@]21C ZINC000255250659 KK Annotated Anodyne CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@H]4C[C@@H](OC(=O)/C=C/c4ccccc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)/C=C/c6ccccc6)CC[C@]54O)C3)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255250789 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C/c4ccccc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)/C=C/c6ccccc6)CC[C@]54O)C3)O[C@@H]2C)O[C@@H](C)[C@@H]1O ZINC000255250791 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@]5(O)[C@@H]4C[C@@H](OC(=O)/C=C/c4ccccc4)[C@]4(C)[C@](O)([C@H](C)OC(=O)/C=C/c6ccccc6)CC[C@]54O)C3)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000255250795 KK Annotated Anodyne COC(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)\C=C\C=C(/C)CCC=C(C)C ZINC000255251098 KK Annotated Bother CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255251187 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(/C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255251189 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255251193 KK Annotated Anodyne 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=C\C=C(/C)CCC=C(C)C ZINC000255251203 KK Annotated Bother C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@H]1[C@@H](O)[C@H]2[C@@H]3N(c4ccccc4[C@@]34CCN3C/C(=C/C)[C@@H]2C[C@H]34)[C@H]1O ZINC000255251212 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C@@H]1[C@@H](O)[C@H]2[C@@H]3N(c4ccccc4[C@@]34CCN3C/C(=C/C)[C@@H]2C[C@H]34)[C@H]1O ZINC000255251217 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](S[C@H]5C[C@H]6[C@@H]7CC[C@H]([C@H](C)[C@H]8CC(C)=C(CO)C(=O)O8)[C@@]7(C)CC[C@@H]6[C@@]6(C)C(=O)C=C[C@H](O)[C@@]56O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000255251282 KK 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\C1=C(C)C[C@@H](O)CC1(C)C)CO ZINC000255251337 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255251354 KK Annotated Mild CO[C@H]1CC[C@H](O[C@@H]2C[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O3)O[C@]2(C)[C@H]2CC[C@@H](C)[C@]3(O2)O[C@@](C)([C@@H]2CC[C@@H](C)[C@](O)(CO)O2)C[C@@H]3C)O[C@@H]1C ZINC000255251754 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000255251793 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000255251799 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC=C5C(=CC(=O)[C@]6(O)Oc7cc8c(c(C)c7O[C@]56C)C=C[C@@H]5[C@@]8(C)CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)OC)CC[C@]7(C)CC[C@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255251814 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C=Cc5c(cc6c(c5C)O[C@@]5(C)C7=CC[C@H]8[C@@](C)(CC[C@@]9(C)[C@@H]%10C[C@](C)(C(=O)OC)CC[C@]%10(C)CC[C@]89C)C7=CC(=O)[C@@]5(O)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255251818 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=CC2=C4CC(C)(C)CC[C@]4(C(=O)OC(=O)[C@]45CCC(C)(C)CC4=C4C=C[C@@H]6[C@@]7(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)CC[C@]23C)C1(C)C ZINC000255252241 KK Annotated Reactive CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@H]1C[C@H](O)CC1(C)C ZINC000255252265 KK Annotated Mild C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/C[C@H]1O[C@H](C[C@H](O)[C@H]1C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)/C=C/CC/C=C/C2)[C@@H]3C ZINC000255252279 KK Annotated Anodyne COC(=O)[C@H](O)C/C=C\C/C=C/C[C@@H]1O[C@@]23C[C@@H]1OC(=O)C[C@H]1CCC[C@@H](C[C@@H](O)C[C@H](O)C[C@H]4O[C@]5(C=C[C@@H]4C)CC[C@H](OC)[C@H](O5)[C@@H](O)[C@@H](O)[C@@H](C)CC[C@@H]4C[C@H](OC)C[C@](CC[C@@H]2C)(O4)O3)O1 ZINC000255252330 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@H]2[C@](C)(C(=O)O)CCC[C@]32C)[C@@]2(C)CC[C@H](C(C)(C)O)[C@H]12 ZINC000255252402 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4[C@](C)(CO)[C@@H](N(C)c5ccc(C=O)cc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255252431 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252440 KK 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=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252443 KK 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=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252447 KK 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=C\[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 ZINC000255252452 KK 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=C\[C@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252457 KK Annotated Bother C=C/C=C\[C@H](C)[C@H]1OC(=O)/C=C\C=C\[C@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CC[C@H](O)[C@@H]1C ZINC000255252480 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 ZINC000255252941 KK 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=C\[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252944 KK 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=C/[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252945 KK 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=C/[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252949 KK 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=C\[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252950 KK 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=C/[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255252951 KK Annotated Mild CC/C=C/[C@H]1C/C=C/C=C\[C@@H](OC)[C@H](O)[C@H](O)[C@@H](C)/C=C/[C@H](OC)[C@@H](C)/C=C/C=C(C)/C=C/C(=O)O1 ZINC000255252954 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2C[C@@H]3c4ccccc4N[C@H]3[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255252956 KK Annotated Anodyne CC1=CCCC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1/[C@@H](C)CCCC1(C)C ZINC000255253037 KK Annotated Bother CC1=CCCC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\[C@@H](C)CCCC1(C)C ZINC000255253040 KK Annotated Bother CC1=CCCC(C)(C)/C1=C\C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\[C@@H](C)CCCC1(C)C ZINC000255253044 KK Annotated Bother C/C=C(/C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@@H]3OC3(C)C)O[C@H]2OC)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)C(=O)C[C@H](O)[C@]3(C)[C@@H]12 ZINC000255253065 KK Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](OC(C)=O)[C@H]5C[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255253074 KK Annotated Mild C/C=C1/CN2CC[C@]34c5ccccc5N5C=C([C@H]6C[C@H]7c8[nH]c9ccccc9c8CCN7C[C@@H]6CC)[C@H](O)[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000255253426 KK Annotated Anodyne COC(=O)/C(C)=C\CC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255253427 KK 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[C@H]5O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255253434 KK 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[C@H]5O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255253435 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12 ZINC000255253630 KK Annotated Anodyne CCN[C@@H]1CC[C@@H](O[C@H]2CCC[C@@H](CC)OC(=O)C[C@@H]3C(=C[C@@H]4[C@@H]3C=C(C)[C@@H]3C[C@@H](O[C@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@@H]5OC)C[C@H]43)C(=O)[C@@H]2C)O[C@H]1C ZINC000255253648 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=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 ZINC000255253655 KK Annotated Mild C/C=C1\CN[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@@H]1[C@H]2C(=O)OC ZINC000255253957 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@H]2C[C@H]([C@H]3OC3(C)C)O[C@@H]2O)C1(C)C ZINC000255253970 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000255253971 KK Annotated Anodyne CO[C@]12/C=C/C(C)=C/[C@H](C)[C@H](CC(C)C)OC(=O)/C=C/C=C/C=C/C=C/CCC[C@H](OS(=O)(=O)O)[C@@H](O)C(=O)[C@H](C)[C@H](CC[C@H]1C)O2 ZINC000255253973 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@H](C(=O)OC)[C@H](CC(=O)O)C(=O)O[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@H](CC(=O)OC)[C@@H](CC(=O)O)C(=O)O)C(=C)CC[C@H]12 ZINC000255254064 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@@](C)(O)CCC=C(C)C)[C@@H]12 ZINC000255254082 KK Annotated Anodyne CO[C@H]1[C@H](OC)C[C@@H]2CCN(C)[C@H]3C[C@H]4CC[C@@H](OC)[C@H](C4)OC4CCC(CC4)C[C@H]4[C@H]5C[C@@H](OC)[C@H](C[C@@H]5CCN4C)O[C@@H]1[C@H]23 ZINC000255254143 KK Annotated Anodyne COC1=C[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@@H](C)O[C@@H]6C[C@@H]7OC[C@]8(C[C@@H](OC)[C@H](O[C@H]9C[C@@H](OC)[C@H](O)[C@@H](C)O9)[C@@H](C)O8)OO[C@H]7[C@H](C)O6)[C@]5(C)CC[C@H]43)C2)C1=O ZINC000255254152 KK Annotated Reactive COC1=C[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@H]6C[C@H]7OC[C@]8(C[C@@H](OC)[C@H](O[C@H]9C[C@H](OC)[C@H](O)[C@@H](C)O9)[C@@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O ZINC000255254155 KK Annotated Reactive CCCCCC[C@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@H](C)/C=C(\C)CCCC[C@H](O)C[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C/C=C(\C)[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CC[C@H](C)[C@H]1O ZINC000255254165 KK Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@@H](C)/C=C(\C)CCCC[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C/C=C(/C)[C@@H](O)CCC[C@H](O)CCC[C@H](O)CC[C@@H](C)[C@@H]1O ZINC000255254169 KK Annotated Anodyne CCCCCC[C@@H]1C(=O)O[C@@H]([C@H](C)[C@H](O)CCCNC(=N)N)[C@@H](C)C=C(C)CCCC[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)CC=C(C)[C@@H](O)CCC[C@H](O)CCC[C@H](O)CC[C@@H](C)[C@@H]1O ZINC000255254171 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5O[C@H](O)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000255254370 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5O[C@@H](O)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000255254373 KK Annotated Anodyne CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@@H](C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@@H](C)O5)[C@@H](C)CC[C@H]42)C/C=C/C/C(C)=C/[C@@]3(C)C=C1C(=O)O ZINC000255254391 KK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@H](O)[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@]21C ZINC000255254437 KK Annotated Mild C=C1C[C@@H](O)C2=C(C)C[C@@H]3C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@]3(C(=O)OC)[C@H]2/C=C(\C)CC[C@@H](O)[C@]2(C)CC[C@H]1O2 ZINC000255254447 KK Annotated Mild C/C=C\C=C\[C@]1(C)O[C@](O)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](O)[C@H](O)C/C=C/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@H](O)C1(C)C ZINC000255254456 KK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000255254499 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H](O)CC/C(C)=C/[C@@H](C)C(=O)O)O[C@@]2(O[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@H]4C)O3)C[C@H]2C)[C@H]1C ZINC000255254503 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C\[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O ZINC000255254512 KK Annotated Mild CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C\[C@@H](C)NC(=O)[C@H](C)C/C=C\C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O ZINC000255254518 KK Annotated Mild CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C/[C@@H](C)NC(=O)[C@H](C)C/C=C/C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O ZINC000255254523 KK Annotated Mild CO[C@H](/C(C)=C/C=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C/[C@@H](C)NC(=O)[C@H](C)C/C=C\C[C@@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O ZINC000255254527 KK Annotated Mild COC(C)(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C ZINC000255254563 KK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C ZINC000255254564 KK Annotated Anodyne COC(C)(C)/C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C ZINC000255254565 KK Annotated Anodyne COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C5(C)C ZINC000255254566 KK Annotated Anodyne C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=C/C(=N/CCc7ccc(O)cc7)C=C[C@]6(C)C5=CC[C@@]42C)N3C1 ZINC000255254598 KK Annotated Mild C[C@H]1C[C@H]2O[C@]23[C@@H](C)[C@H]2[C@H](C[C@H]4[C@@H]5CCC6=C/C(=N\CCc7ccc(O)cc7)C=C[C@]6(C)C5=CC[C@@]42C)N3C1 ZINC000255254602 KK Annotated Mild CCC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1 ZINC000255254623 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](C[C@H](C)O)CC(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@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255254892 KK Annotated Mild CC(=O)O[C@@H](C(C)C)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000255254905 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[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 ZINC000255254912 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[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 ZINC000255254913 KK Annotated Mild CC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](O)[C@H]3OC3(C)C)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000255254928 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](O)[C@H]3OC3(C)C)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000255254929 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)CCCC2(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 ZINC000255254939 KK Annotated Bother COC(=O)/C(C)=C\CC[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35[C@H](O)C[C@]12C ZINC000255255032 KK Annotated Anodyne COC(=O)/C(C)=C/CC[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35[C@H](O)C[C@]12C ZINC000255255034 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O)/C=C/[C@@H](C)[C@@H](O)[C@H]1C ZINC000255255280 KK Annotated Anodyne CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@@H]1C ZINC000255255299 KK Annotated Anodyne C=C(C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255255480 KK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255255483 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000255255737 KK Annotated Anodyne 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]1C[C@H]3OC(C)=O)[C@H](C)C(=O)OC ZINC000255255831 KK Annotated Mild CCCCCCCCCCCCCCCC(=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)CC[C@H](CC)C(C)C)C1 ZINC000255255843 KK 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C/C=C(/C)C(=O)O[C@@H]1C[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@H](CC(=O)OC)[C@]3(C)C4=C(C)[C@H](c5ccoc5)C[C@H]4O[C@@H]3[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255257858 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000255257859 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000255257861 KK Annotated Anodyne CCCC[C@@H](C)C(=O)O[C@H]1[C@H](O)[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@H](C(=O)O3)[C@]45O)O2)O[C@H](CC)[C@H]1C ZINC000255257873 KK Annotated Anodyne 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(=O)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000255257899 KK Annotated Mild C/C=C1\CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC 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CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@@H]4[C@@]5(CCC6=C(CC[C@@]7(C)[C@H]6CCC6=C8CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]8(C)CC[C@@H]67)O5)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255258789 KK Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C5=C(CC[C@]4(C)[C@H]3CC[C@@]21C)O[C@]1(CC5)C(=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](C)C(C)C ZINC000255258792 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](C(C)=O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255258803 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]3(O)C[C@@H](OC)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255258817 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]3(O)C[C@H](OC)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255258819 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]3(O)C[C@H](OC)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255258821 KK Annotated Anodyne CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]3(O)C[C@H](OC)C(C)=C[C@H]3C(=O)O1)O2 ZINC000255258823 KK Annotated Anodyne C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C=C\C=C\C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000255258850 KK Annotated Mild C/C1=C\C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)/C=C\C=C/C=C/[C@H](C)[C@@H](O)CC1=O)C3=O ZINC000255258854 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000255258913 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000255258915 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(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 ZINC000255258918 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000255258920 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000255258922 KK Annotated Bother CO[C@@H](C[C@H]1OC(=O)C[C@H](O)C/C=C\C(=O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255259164 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255259165 KK Annotated Mild OC[C@H](COCCCCCCCC[C@H]1C[C@@H]2[C@H]3[C@@H]4[C@H]5CC[C@H]5[C@@H]4[C@H]3[C@H]12)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@H]2[C@H]2CC[C@H]21 ZINC000255259225 KK Annotated Anodyne COC(=O)C[C@@](C)(O)CC(=O)O[C@H]1CC[C@@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](CCC=C(C)C)C(=O)O[C@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@]1(C)CC3 ZINC000255259267 KK Annotated Anodyne CC[C@H]1CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3[C@@H](C5)[C@H](CC)[C@H]4C[C@@H]3[C@@H]4CC(=O)OC)C[C@@H]1[C@H]2C(=O)OC ZINC000255259289 KK Annotated Anodyne CC[C@@H]1CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3[C@@H](C5)[C@H](CC)[C@H]4C[C@@H]3[C@@H]4CC(=O)OC)C[C@@H]1[C@H]2C(=O)OC ZINC000255259290 KK Annotated Anodyne 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@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255259292 KK Annotated Anodyne 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@H](C)CC[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255259293 KK Annotated Anodyne CC(=O)O[C@H]1CC(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@]2(O)C(C)(C)C[C@@H](OC(C)=O)C[C@]2(C)O)C(C)(C)C1 ZINC000255259301 KK Annotated Bother CC(=O)O[C@H]1CC(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/C2=C(C)C[C@H](OC(C)=O)CC2(C)C)[C@](C)(O)C1 ZINC000255259302 KK Annotated Bother CC(=O)O[C@@H](C/C=C(/C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255259305 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255259306 KK Annotated Anodyne CCOC(=O)[C@@H]([C@H](C/C=C(\C)C(=O)OC)OC(=O)CC)[C@@H](OC(C)=O)[C@@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@@](O)(CC(C)=O)O2)O1)OC(=O)CC(C)C ZINC000255259313 KK 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/C1=C(C)C[C@@H](O)CC1(C)C)CO ZINC000255259326 KK Annotated Bother CC[C@@H]1CN(C)[C@H]2C[C@H]3c4ccccc4N[C@H]3[C@H]([C@H]3CC[C@@H]4[C@H](C3)N[C@H]3[C@@H]4CCN4C[C@@H]5C[C@H](CC)[C@H]4[C@@H]3C5)C[C@@H]1[C@@H]2C(=O)OC ZINC000255259335 KK Annotated Anodyne CC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1/C(C)(C)CC(=O)C[C@]1(C)O ZINC000255259358 KK Annotated Mild CCO[C@H]1[C@@H](OC)[C@H](C)[C@@H](C[C@@H]2C[C@@H](OC)[C@H](C)[C@@]3(O2)O[C@H]([C@@H]2O[C@@H]([C@@H]4CC[C@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)O4)C[C@@H]2O[C@H]2CC[C@@H](OC)[C@@H](C)O2)C[C@@H]3C)O[C@@]1(O)[C@@H](C)C(=O)O ZINC000255259375 KK Annotated Anodyne CCO[C@H]1[C@@H](OC)[C@H](C)[C@H](C[C@H]2C[C@@H](OC)[C@@H](C)[C@]3(O2)O[C@@H]([C@H]2O[C@H]([C@H]4CC[C@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)O4)C[C@H]2O[C@@H]2CC[C@H](OC)[C@@H](C)O2)C[C@H]3C)O[C@]1(O)[C@@H](C)C(=O)O ZINC000255259376 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255259386 KK Annotated Mild C[C@H](OC(=O)c1ccccc1)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000255259389 KK Annotated Anodyne C[C@@H](OC(=O)c1ccccc1)[C@H]1CC[C@]2(O)[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3[C@H](O)[C@@H](OC(=O)c3ccccc3)[C@]12C ZINC000255259390 KK Annotated Anodyne C=C(CCCC)C(=O)/C(C)=C/C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255259400 KK Annotated Mild C=C(CCCC)C(=O)/C(C)=C/C=C/[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255259401 KK Annotated Mild C=C(CCCC)C(=O)/C(C)=C/C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)C=C(C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255259402 KK Annotated Mild C=C(CCCC)C(=O)/C(C)=C/C=C/[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)C=C(C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255259403 KK Annotated Mild C=C1[C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](O)C1=C3[C@@H](OC(=O)CCCCCCCCCCCCCC)C[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255259406 KK Annotated Mild CC(=O)O[C@@H]1[C@H](O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@@]3(C)[C@]12C ZINC000255259414 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4CC[C@@]3(C)[C@]12C ZINC000255259415 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]2CC[C@@H]3[C@@]4(C)CC[C@H](C(C)(C)O)[C@H]4CC[C@@]3(C)[C@]12C ZINC000255259416 KK Annotated Anodyne C[C@@H](CC[C@H]1OC(=O)[C@H](O)[C@@H]1O)[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 ZINC000255259444 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@H](C)[C@H](O)C[C@H](C)C[C@@H](OC(C)=O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000255259452 KK Annotated Anodyne C=C(C[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C(C)(C)[C@H](O)C/C(C)=C/[C@H](O)[C@]1(C)O[C@H]2C[C@H](C)C[C@@H](O)C[C@@H](C)C/C(C)=C/C(=O)O[C@@H]1C2)/C(=C\Br)OC ZINC000255259463 KK Annotated Mild C=C(C[C@H](O)C[C@H](O)[C@H](C)[C@H](O)C[C@H](O)C(C)(C)[C@H](O)C/C(C)=C/[C@H](O)[C@@]1(C)O[C@H]2C[C@H](C)C[C@@H](O)C[C@@H](C)C/C(C)=C/C(=O)O[C@@H]1C2)/C(=C\Br)OC ZINC000255259464 KK Annotated Mild CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255259469 KK Annotated Mild CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255259470 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255259481 KK 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=C/C=C(\C)CCCC(C)(C)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000255259491 KK 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=C/C=C(\C)CCCC(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000255259492 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@]4(C)C(=Cc5c4[nH]c4cc(Cl)c6c(c54)[C@@]4(O)[C@H](C[C@@H]4C(C)(C)O)C(=C)C6)CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000255259514 KK Annotated Mild C/C=C\C=C\[C@H]1O[C@@](OC)([C@H](CC)C(=O)NC/C=C/C=C(\C)[C@H](OC)[C@H](C)[C@H](O)[C@@H](O)/C=C/C=C/C=C/C=C(\C)C(=O)c2c(O)ccn(C)c2=O)C[C@@H](O)C1(C)C ZINC000255259531 KK Annotated Mild CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255259537 KK Annotated Anodyne CO[C@@H]1O[C@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255259538 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000255259539 KK Annotated Anodyne CO[C@@H]1C=C2[C@@H](CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)[C@]2(C)CC[C@]3(O)[C@](C)(CCCC(C)C)OC(=O)[C@]123 ZINC000255259557 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c5c([nH]c4c3)[C@]3(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255259558 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](O)[C@H](C)/C=C/N(C)C=O ZINC000255259559 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@H](O)[C@@H](C)/C=C/N(C)C=O ZINC000255259560 KK Annotated Mild CC(=O)OC[C@]1(C)[C@@H](NC(=O)c2ccccc2)CC[C@]23C[C@]24C(=O)C[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 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CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](CCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O ZINC000255259651 KK 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/C(=O)[C@]2(C)CC(=O)C[C@@]2(C)CO)CO)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000255259652 KK Annotated Mild CCCCCCCC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@H](O[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)CC[C@]2(C)C2=CC[C@@H]3[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]3(C)[C@@]21C ZINC000255259666 KK Annotated Mild CCCC[C@@H](C)C(=O)O[C@@H]1[C@H](O)[C@]2(C[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@@H](OC)C(C)=C[C@H](C(=O)O3)[C@@]45O)O2)O[C@H](C)[C@H]1C ZINC000255259689 KK Annotated Anodyne CC[C@H](C)[C@@H](OC(C)=O)C(=O)O[C@@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(=O)[C@H](O)C(C)C)C[C@H]1[C@@](C)(CO)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000255259703 KK Annotated Anodyne 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C=C/C=C/C(C)=C/[C@H](C)[C@H]1C[C@@H](OC)C[C@@H](C[C@H]2O[C@@H](C[C@@H](C)/C=C/C(C)=C/C[C@H](C[C@H](O)CNC(=O)C(=C)OC)OC(N)=O)[C@](C)(O)C[C@@H]2C)O1 ZINC000255259820 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34CN5c6c(cccc6[C@@]36[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N6c1ccccc14)[C@@]12CC[N@@+]3([O-])CCC[C@@]4(CC[C@@]51[C@H]4C)[C@@H]23 ZINC000255259837 KK Annotated Bother C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34CC[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C ZINC000255259840 KK Annotated Reactive COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(C)C7=CC=C8[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@@]8(C)C7=CC(=O)[C@]5(O)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255259845 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@@]5(C)C7=CC=C8[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@@]8(C)C7=CC(=O)[C@@]5(O)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255259846 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4[nH]c5c(c34)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255259871 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4[nH]c5c(c34)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000255259872 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4[nH]c5c(c34)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255259873 KK Annotated Anodyne CCOC(C)(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OC)O1 ZINC000255259879 KK Annotated Anodyne CCOC(C)(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@@H](OC)O1 ZINC000255259880 KK Annotated Anodyne C=C(C)[C@]12CC[C@@]3(CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)[C@H](C(=O)OC)[C@H](OC(=O)c7ccc(OC)cc7)C(C)(C)[C@H]6CC[C@]54C)[C@@H]13)C(=O)O2 ZINC000255259889 KK Annotated Mild CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255259890 KK Annotated Mild CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255259891 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255259906 KK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CCN5CC6=CCO[C@@H]1[C@H]([C@H]23)[C@H]6C[C@H]54 ZINC000255259948 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1C1=CN2c3ccccc3[C@@]34CCN5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000255259949 KK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255259973 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]25)[C@H](OC(C)=O)C[C@]43C)[C@]1(C)C=O ZINC000255259974 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@@H]3C[C@H]4C[C@H]([C@H](C)O)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255260012 KK Annotated Anodyne C/C(C=C=C1C(C)(C)CC[C@H](O)[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2[C@@H](C[C@@H](O)CC2(C)C)O1 ZINC000255260025 KK Annotated Bother CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@](C)([C@H](CO)O[C@H](O)[C@@H]4C[C@]56CC[C@H]7[C@@](C)(C(=O)O)CCC[C@]7(C)[C@H]5CC[C@H]4C6)O[C@@]3(C)CC[C@H]12 ZINC000255260041 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@](C)([C@H](CO)O[C@H](O)[C@@H]4C[C@@]56CC[C@H]7[C@@](C)(CCC[C@@]7(C)C(=O)O)[C@@H]5CC[C@@H]4C6)O[C@@]3(C)CC[C@H]12 ZINC000255260042 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@]45C[C@]35CC[C@]12C)C(C)C ZINC000255260046 KK Annotated Mild CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C ZINC000255260047 KK Annotated Reactive C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260066 KK Annotated Mild CC(C)=CC[C@H](/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@@]12C[C@@H]1CC[C@@H](C/C=C(\C)CO)C2(C)C)C(C)(C)O ZINC000255260082 KK Annotated Bother C/C=C1/CN2CC[C@@]34c5cc(OC)c(-c6cc7c(cc6OC)N(C)[C@@]68CC[C@H]9[C@@H](C(=O)OC)[C@@]76CCN8C[C@@]96O[C@H]6C)cc5N(C)[C@@]23CC[C@@H]1[C@H]4C(=O)OC ZINC000255260097 KK Annotated Clean C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OCC)O1 ZINC000255260105 KK Annotated Mild COc1ccc2c3c(n(C)c2c1C[C@H](C(C)=O)[C@@H]1C[C@H]2c4c(c5ccccc5n4C)C[C@@H]([C@@H]1CO)N2C)[C@@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@H](C3)N1C ZINC000255260106 KK Annotated Mild COc1ccc2c3c(n(C)c2c1C[C@@H](C(C)=O)[C@@H]1C[C@H]2c4c(c5ccccc5n4C)C[C@@H]([C@@H]1CO)N2C)[C@@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@H](C3)N1C ZINC000255260107 KK Annotated Mild CC(C)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2O)C1(C)C ZINC000255260110 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@@H]2[C@](C)([C@@H](OC(C)=O)C[C@H]3OC(C)=O)[C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c2ccoc2)C[C@@H]1OC(C)=O ZINC000255260117 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@@H]2[C@](C)([C@@H](OC(C)=O)C[C@H]3OC(C)=O)[C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c2ccoc2)C[C@@H]1OC(C)=O ZINC000255260118 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c4ccoc4)C[C@@H]1OC(C)=O)[C@@H]23 ZINC000255260119 KK Annotated Anodyne CC1(C)O[C@@H]1[C@H]1O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5(C)c6[nH]c7ccc8c(c7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C[C@@H]2[C@@H](C8=O)C(C)(C)OC2(C)C)C(C)(C)O1 ZINC000255260162 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(CO)=CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255260206 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@@H](C)[C@H](C)[C@H]2C3=CC[C@@H]4[C@]56CC[C@](OCC)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@]21C(=O)O ZINC000255260210 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@H]53)[C@H]([C@H]24)[C@H]1O ZINC000255260242 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000255260243 KK Annotated Anodyne C=C1O[C@H]2Oc3ccc4[nH]c5c(c4c3[C@H](C)[C@H]2[C@H]2C[C@H]3N[C@H](Cc4c3[nH]c3ccccc43)[C@@H]12)C[C@@H]1[C@@H](CO)[C@@H]2C[C@H]5[N@@+]1(C)C/C2=C/C ZINC000255260248 KK Annotated Mild C/C=C(C)/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H]1OC(=O)/C(CCCCCC)=C/c2csc(n2)[C@H](C)[C@@H](O)C[C@H](O)/C=C/C=C\C[C@@H]1O ZINC000255260251 KK Annotated Anodyne C/C=C(C)/C=C(\C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H]1OC(=O)/C(CCCCCC)=C/c2csc(n2)[C@@H](C)[C@@H](O)C[C@H](O)/C=C/C=C\C[C@H]1O ZINC000255260252 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@]4(C(=C(C(=O)OC)C1)Nc1cc(O)c([C@H]5C[C@]67c8ccccc8N[C@@]68CC[C@@]6(C[C@H]8C(=O)OC)[C@H]8C[C@H]8CN5[C@@H]67)cc14)[C@@H]32 ZINC000255260265 KK Annotated Clean CC[C@H](O)CCC[C@H]1OC(=O)/C=C/C=C/C[C@@H](O)C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C/[C@@H](C)C[C@@H]1C ZINC000255260269 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1C3=C(C(=O)C[C@H]12)[C@H]1CO[C@@H]3[C@]23C(=O)C[C@H]4[C@@H](CC[C@@H]5C(C)(C)CCC[C@]45C)C2=COC[C@H]13 ZINC000255260325 KK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1C3=C(C(=O)C[C@H]12)[C@@H]1CO[C@H]3[C@@]23C(=O)C[C@H]4[C@@H](CC[C@@H]5C(C)(C)CCC[C@]45C)C2=COC[C@H]13 ZINC000255260326 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)N(C)C ZINC000255260329 KK Annotated Anodyne CC[C@]12C=CCN3CCc4c(n(c5ccccc45)[C@@H](c4ccc5c(c4)[C@@]46CC[N@+]7([O-])CC=C[C@@]8(C[C@@H](C(=O)OC)[C@]4(N5)[C@H]8C)[C@@H]67)C1)[C@@H]32 ZINC000255260330 KK Annotated Bother CC(=O)O[C@@H]1C[C@]2(C)C3=CC[C@]4(C)[C@H]5[C@H](O)C[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@H]2C(C)(C)[C@H]1O ZINC000255260340 KK Annotated Anodyne CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](CC)C(=O)O1 ZINC000255260345 KK Annotated Anodyne CC1=CCCC(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=C\[C@H]1C(C)=CCCC1(C)C ZINC000255260346 KK Annotated Bother CC1=CCCC(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=C/[C@H]1C(C)=CCCC1(C)C ZINC000255260347 KK Annotated Bother CC1=CCCC(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=C\[C@H]1C(C)=CCCC1(C)C ZINC000255260348 KK Annotated Bother CC1=CCCC(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=C/[C@H]1C(C)=CCCC1(C)C ZINC000255260349 KK Annotated Bother CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255260377 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)[C@]5(C)O[C@@H]5C[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255260378 KK Annotated Mild C[C@H]1CC[C@@]2(C)[C@H](C=C[C@]3(C)[C@@H]2C=C[C@@H]2[C@@]4(C)CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255260382 KK Annotated Anodyne C[C@H]1CC[C@@]2(C)[C@H](C=C[C@]3(C)[C@@H]2C=C[C@@H]2[C@@]4(C)CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255260383 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)O[C@H](O)[C@]1(C)[C@H]2CC[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1 ZINC000255260472 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)O[C@H](O)[C@@]1(C)[C@H]2CC[C@]12[C@@H]3CCC[C@@]34CC[C@@H]3CN4[C@@H]1[C@@H](C(C)C)CC[C@@]32C ZINC000255260473 KK Annotated Anodyne CO[C@H]1C[C@H]2[C@](C)(C3=C(C)[C@H](c4ccoc4)C[C@@H]3O1)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255260475 KK Annotated Anodyne C=C(C)[C@@]12OCO[C@@H]1[C@@H]1[C@@H]3O[C@]3(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]3[C@]1(OCCCCCCCCC)[C@@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000255260488 KK Annotated Mild CC(=O)O[C@@H]1C=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)CC[C@@]23C)[C@@]2(C)CCC(=O)C(C)(C)[C@H]12 ZINC000255260497 KK Annotated Anodyne CO[C@H]1[C@@H](C)[C@@H]([C@H](C)[C@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@H]5C[C@@H](C)[C@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)O5)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@H](C)C(=O)O)[C@@H]1C ZINC000255260499 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@](O)([C@@H](C)C(=O)O)O[C@H]([C@H](C)[C@H]2O[C@@]3(CC[C@](C)([C@@H]4CC[C@@](C)([C@H]5C[C@H](C)[C@H]([C@@H]6O[C@](C)(O)[C@@H](C)C[C@@H]6C)O5)O4)O3)C[C@@H](O)[C@@H]2C)[C@@H]1C ZINC000255260500 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@H]([C@H](C)[C@H]2O[C@@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5C[C@H](C)[C@@H]([C@@H]6O[C@@](C)(O)[C@@H](C)C[C@@H]6C)O5)O4)O3)C[C@@H](O)[C@@H]2C)O[C@](O)([C@@H](C)C(=O)O)[C@H]1C ZINC000255260501 KK Annotated Anodyne CO[C@H]1[C@@H](C)[C@@H]([C@H](C)[C@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@H]5C[C@@H](C)[C@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)O5)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@@H](C)C(=O)O)[C@@H]1C ZINC000255260502 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)OC)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000255260531 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000255260532 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)OC)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255260533 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255260534 KK Annotated Anodyne Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@@H]5[C@]4(C)CC[C@]13C)O[C@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@]1(C)O2 ZINC000255260536 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@@H]5[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255260537 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@]1(C)O2 ZINC000255260538 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255260539 KK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](OC(=O)C[C@@H](O)C(C)C)[C@@H](C(C)=O)[C@H](C=O)[C@@]3(C)C(=O)C[C@H]21 ZINC000255260542 KK Annotated Mild CC[C@@]1(C)CCC[C@]2(C)[C@@H]3CC(=O)[C@]4(C)[C@@H](C=O)[C@H](C(C)=O)[C@H](OC(=O)C[C@H](O)C(C)C)C[C@H]4[C@]3(C)CC[C@H]12 ZINC000255260543 KK Annotated Mild COC(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)/C=C\C=C(/C)CC/C=C(\C)CC=C(C)C ZINC000255260549 KK Annotated Bother CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O[C@@H]1CC(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]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1 ZINC000255260563 KK Annotated Bother CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1CC(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]2C(C)=C[C@H](O)CC2(C)C)C(C)(C)C1 ZINC000255260564 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H](O)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@]23O[C@@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C1 ZINC000255260591 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](CC(C)=O)CC(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@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255260625 KK Annotated Mild CC(/C=C/[C@@H]1OC(=O)C=C[C@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O ZINC000255260635 KK Annotated Anodyne CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000255260636 KK Annotated Anodyne C[C@H]([C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255260647 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255260653 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1OC(C)=O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255260654 KK Annotated Mild C=C/C=C/C=C\C(C)=C/C[C@H]1OC(=O)C[C@@H](O)C[C@H](O)/C=C/CC(=C)C[C@H](O)CC/C=C/C[C@H](O)/C=C/[C@H]1C ZINC000255260681 KK Annotated Mild COC(=O)N[C@H]1[C@@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O[C@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)[C@@]4(C[C@@H](C)C(C)=C[C@H]4C=C2C)OC3=O)C[C@]1(C)N ZINC000255260702 KK Annotated Mild C1CCN2C[C@]34C[C@H](C[C@H]5CCCN([C@H]6CCC[C@H](N6)[C@@]67C[C@@H](C[C@H]8CCCN([C@@H]86)[C@@H]6CCC[C@@H]3N6)[C@@H]3CCCCN3C7)[C@@H]54)[C@@H]2C1 ZINC000255260706 KK Annotated Anodyne C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCCCC)C(C)(C)[C@@H]3CC[C@]12C ZINC000255260726 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4=CC[C@@](C)([C@H](C)CC/C=C(\C)C(=O)O)[C@]4(C)CC[C@@]32O)C1(C)C ZINC000255260730 KK Annotated Anodyne CNC(=N)NCCC/C=C/CCC[C@H](C)C[C@H](C)[C@H]1OC(=O)CC[C@@H](C)[C@H](O)C[C@H](O)[C@@H](C)[C@H](C)CC[C@H](C)[C@H]2C[C@]3(O)O[C@H](C[C@@H](O)C[C@@H](O)C[C@H](O)[C@@H](C)[C@H](O)/C=C/[C@H]1C)C[C@H](O2)[C@@H]3O ZINC000255260761 KK Annotated Anodyne CC[C@H](CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@H]3CC[C@@]2(C)[C@@H]2C[C@@H](OC(C)=O)C3=C(C(=O)O[C@H]3C)[C@]21C)OC(C)=O ZINC000255260801 KK Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](OC[C@H]4O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]4O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000255260813 KK Annotated Mild C=C1C[C@@H](O)[C@@H](O)C[C@H]2CC[C@H](C[C@@H]3CC[C@H](O3)[C@@H]3O[C@H]3[C@H](/C=C(C)/C=C/[C@H](O)C[C@@H](C)/C=C/C)OC(=O)CC/C=C/C=C(\C)C[C@H](O)C[C@@H]1C)O2 ZINC000255260838 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)OC[C@]1(C)O[C@@H]14 ZINC000255260839 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]3CC[C@H]([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]12 ZINC000255260854 KK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CCC[C@@]2(C)COC(=O)[C@@H]([C@H](CC(=O)O)C(=O)OC)OC[C@@H]2C(=C)CC[C@@H]4[C@]2(C)CCC[C@@]4(C)COC(=O)[C@@H]([C@H](CC(=O)O)C(=O)OC)OC[C@@H]13 ZINC000255260867 KK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CCC[C@@]2(C)COC(=O)[C@@H]([C@@H](CC(=O)O)C(=O)OC)OC[C@H]2C(=C)CC[C@@H]4[C@]2(C)CCC[C@@]4(C)COC(=O)[C@@H]([C@@H](CC(=O)O)C(=O)OC)OC[C@@H]13 ZINC000255260868 KK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000255260885 KK Annotated Anodyne CO[C@@H](C)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C/C=C/C[C@H](C)[C@@H]1C/C=C/CC/C=C/[C@@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O1 ZINC000255260943 KK Annotated Anodyne C=C1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255260961 KK Annotated Mild C=C1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255260962 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255260975 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255260976 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255260977 KK Annotated Anodyne C=C(C(=O)N[C@H](C(=O)O)c1ccc(OC)cc1)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000255261023 KK Annotated Mild C=C(C)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(C)C)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)[C@H](OC)O1 ZINC000255261069 KK Annotated Mild CC(C)=CC/C=C(/C)[C@@H]1CCC[C@@]2(C)[C@@H]1[C@@H](O)C[C@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC[C@@]21C ZINC000255261073 KK Annotated Anodyne CCOC(C)(C)[C@]1(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](O)C(C)(C)[C@@H]3CC[C@]21C ZINC000255261087 KK Annotated Anodyne CCOC(C)(C)[C@]1(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](O)C(C)(C)[C@H]3CC[C@]21C ZINC000255261088 KK Annotated Anodyne CCC(/C=C/[C@H]1CC=CC(=O)O1)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O ZINC000255261091 KK Annotated Anodyne CO[C@@H]1C[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@H]2OC)O[C@H](C)[C@H]1O ZINC000255261092 KK Annotated Anodyne C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255261093 KK Annotated Mild CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@]2(C)[C@H](OC(=O)[C@H](O)C(C)C)C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@@H]12 ZINC000255261105 KK Annotated Anodyne CNC(=N)NCCC/C=C/CCC[C@H](C)C[C@H](C)[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)C[C@@H](O)[C@@H](C)[C@@H](O)CC[C@H](C)[C@H]2C[C@]3(O)O[C@@H](C[C@@H](O)CCC[C@@H](O)[C@@H](C)[C@@H](O)/C=C/[C@@H]1C)C[C@H](O2)[C@@H]3O ZINC000255261134 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000255261204 KK Annotated Mild C=C1[C@@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@]3(CC[C@H](/C=C\[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)O[C@H]2[C@@H]1O ZINC000255261211 KK Annotated Mild C=C1[C@@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C\[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000255261212 KK Annotated Mild C=C1[C@@H](O)[C@@H]2O[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@H]4CC(C)=C[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C ZINC000255261213 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000255261236 KK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)O)C(=C)CC[C@H]21 ZINC000255261255 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2[C@@H]1C)[C@]1(C)CC[C@H]([C@H](C)CCC(CC)=C(C)C)[C@@]1(C)CC3 ZINC000255261309 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255261312 KK Annotated Bother C/C=C(\C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H](O)C(C)(C)O)O[C@@H]2O)C1(C)C ZINC000255261323 KK Annotated Anodyne 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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)C3=CC[C@@]21C ZINC000255261338 KK Annotated Anodyne CC[C@H](C)[C@@H](O)C(=O)OC[C@@]1(C)OC(=O)C[C@H](OC(C)=O)[C@@]2(C)[C@H]1C[C@@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]1(C)C3=CC[C@@H](c4ccoc4)[C@]3(C)[C@@H](OC(C)=O)C[C@@H]12 ZINC000255261349 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)C(C)(C)[C@]5(O)CC[C@]43C)[C@@H]12 ZINC000255261354 KK Annotated Mild CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@H](CC1)O[C@@]1(O[C@@H](C[C@@H](C)O)[C@@H](C)CC1=O)[C@@H]2C ZINC000255261362 KK Annotated Anodyne C=C(C)[C@H]1CC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]56C[C@@]46CC[C@]23C)[C@@H](OC)O1 ZINC000255261375 KK Annotated Mild C=C(C)[C@@H]1CC[C@@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]56C[C@@]46CC[C@]23C)[C@@H](OC)O1 ZINC000255261376 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(C)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255261406 KK Annotated Mild CC(=O)O[C@@H]([C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)[C@@H](OC(C)=O)O1)C(C)(C)OC(C)=O ZINC000255261412 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](OC(=O)c2ccccc2)C[C@@H]2[C@@]3(C)CC[C@H](O)C(=C)[C@@H]3[C@H](OC(C)=O)C[C@]21C ZINC000255261418 KK Annotated Mild C=C(C)[C@@H](CC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21)OO ZINC000255261451 KK Annotated Reactive C=C(C)[C@H](CC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21)OO ZINC000255261452 KK Annotated Reactive C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H](O)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@H]2O[C@H]2/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255261475 KK Annotated Anodyne CCCCO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C ZINC000255261491 KK Annotated Anodyne CCCCO[C@@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C\C(C)(C)O)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C ZINC000255261492 KK 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=C(C)\C=C\CC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255261500 KK Annotated Bother CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C[C@H]4CO[C@@H]([C@@H]42)[C@@H]1O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000255261511 KK Annotated Anodyne CC/C(=C\C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@H]([C@@H](C)C(=O)OC)CC[C@@H]1C ZINC000255261512 KK Annotated Anodyne C=C(C)[C@H](CC)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255261561 KK Annotated Mild CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000255261596 KK Annotated Anodyne CCCC[C@@]1(OC(=O)/C=C/C(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255261607 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@H]4[C@@H]([C@H]5C[C@H](CC(C)(C)O)O[C@@H]5O)CC[C@@]4(C)[C@]3(C)[C@H](O)C[C@H]2C1(C)C ZINC000255261622 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=C3[C@H](OC(C)=O)[C@@H]3O[C@@]32C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C ZINC000255261639 KK Annotated Anodyne C1=C\CC[C@]23CN4CCC/C=C\CCC[C@@]5(O[C@H]5[C@@H]([C@H]5c6[nH]c7ccccc7c6CCN5CCc5nccc6c5[nH]c5ccccc56)[C@@H]2CC4)[C@@H]3NCCCC/1 ZINC000255261657 KK 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=C(\C)C/C=C\C(C)(C)O ZINC000255261681 KK Annotated Bother CCOC(C)(C)[C@]12CC[C@](C)(O1)[C@]1(CC[C@]3(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]13C)O2 ZINC000255261721 KK 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]2CC[C@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)C1(C)C ZINC000255261736 KK Annotated Anodyne CC(=C\C[C@H](O[C@@H]1CC[C@H](O[C@H]2CC[C@H](O)[C@@H](C)O2)[C@@H](C)O1)[C@@H](C)[C@H]1OC(=O)CC[C@H]1C)/C=C(\C)C[C@H](C)/C=C\[C@H]1OC(=O)C=C[C@@H]1C ZINC000255261757 KK Annotated Anodyne CC1=CCCC(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@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000255261788 KK Annotated Bother CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1O)[C@H]1OC1(C)C ZINC000255261828 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)C[C@@H]1O)[C@H]1OC1(C)C ZINC000255261829 KK Annotated Anodyne C/C1=C2/N/C(=C\C3=N/C(=C(/C)C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@@](C)(CC(N)=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000255261901 KK Annotated Anodyne C/C1=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(O)=C(NC1=O)C3=O ZINC000255261925 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@](OC(C)=O)([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)[C@H](OC(C)=O)O1)C(C)(C)O ZINC000255261935 KK Annotated Anodyne CO[C@H]1CC[C@H](O[C@@]2(C)[C@H](C[C@@H]3C[C@@H](OC)[C@@H](C)[C@]4(O3)O[C@](C)([C@H]3CC[C@@H]([C@H]5CC[C@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)O5)O3)[C@H](OC)[C@H]4C)O[C@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@@H]2OC)O[C@@H]1C ZINC000255261945 KK Annotated Anodyne CO[C@H]1CC[C@@H](O[C@@]2(C)[C@H](C[C@@H]3C[C@@H](OC)[C@@H](C)[C@]4(O3)O[C@](C)([C@H]3CC[C@@H]([C@H]5CC[C@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)O5)O3)[C@H](OC)[C@H]4C)O[C@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@@H]2OC)O[C@@H]1C ZINC000255261946 KK Annotated Anodyne CO[C@H]1C[C@H](C[C@@H]2O[C@@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@@H](OC)[C@]2(C)O[C@H]2CC[C@@H](OC)[C@H](C)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@H]([C@H]4CC[C@H]([C@H]5O[C@](C)(O)[C@@H](C)C[C@@H]5C)O4)O3)[C@@H](OC)[C@H]2C)[C@@H]1C ZINC000255261947 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CCC(C)(C)[C@H](O)[C@H]5CC[C@]4(C)[C@@]3(C)CC[C@H]2C(C)(C)[C@H]1O ZINC000255261948 KK Annotated Anodyne 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CCC(CC)C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255262101 KK Annotated Mild COC(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)CC/C=C(\C)CCCC(C)(C)O ZINC000255262125 KK Annotated Bother C[C@@]12CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]3(C)[C@H]1CC[C@H]1C(=CC(=O)[C@H]3[C@@](C)(COC(=O)/C=C/c4ccc(O)cc4)[C@H](O)CC[C@]13C)C2 ZINC000255262162 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255262163 KK Annotated Anodyne C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255262164 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(CO)=CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255262172 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255262188 KK Annotated Anodyne CC[C@H](C)[C@@H](OC(C)=O)C(=O)O[C@H]1[C@H](OC=O)[C@@H]2[C@@]3(C)C=CC(=O)C(C)(C)[C@H]3C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)[C@@]23O[C@@H]2C[C@@H](c2ccoc2)[C@]13C ZINC000255262196 KK Annotated Mild C=C1CC[C@H]2[C@](C)(CO)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@H]1CCC=C(C)[C@H]1C[C@H]1C(=C)CC[C@H]2[C@](C)(CO)CCC[C@]12C ZINC000255262208 KK Annotated Mild CC1(C)CCC[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@@H]5C[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255262217 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255262219 KK Annotated Mild CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@@]2(C)[C@@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@H]4C[C@](C)(OC(C)=O)C(C)(C)O4)CC[C@@H]3[C@@H]12 ZINC000255262241 KK Annotated Mild 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C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/C[C@H]1O[C@H](C[C@H](O)[C@H]1C)C[C@@H](O)/C=C/CC/C=C/C2)[C@@H]3C ZINC000255262278 KK Annotated Anodyne CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255262296 KK Annotated Anodyne C[C@H]1[C@@H](O)[C@@]2(Oc3cc4c(c5c3[C@H](C[C@H]5O)[C@@H]2C)CC[C@H]2Cc3nc5c(nc3C[C@]42C)C[C@@H]2CC[C@H]3C4=C[C@@H]6O[C@]7(O[C@](C)(CO)C[C@H]7O)[C@@H](C)[C@]6(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C5)OC1(C)C ZINC000255262297 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OC)CC[C@]32C)[C@@]1(C)CCC(=O)OCC ZINC000255262304 KK Annotated Mild CC(=O)OC[C@@]1(COS(=O)(=O)O)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]2(C)[C@H]4CC[C@@H]13 ZINC000255262305 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@](C)(CO)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000255262339 KK Annotated Mild CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C[C@H](O[C@H]4[C@@H](C)C[C@H](C)[C@@H]5[C@@H]4C=C[C@H]4C(C)=CC[C@H](O)C(C)=C[C@@H]6C=C(C)[C@H](C)C[C@]67OC(=O)C(=C7O)C(=O)[C@]45C)O[C@@H](C)[C@@H]3O)C[C@H]2O)C[C@H]1C ZINC000255262380 KK 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](OC(=O)/C=C/c7ccc(O)cc7)C(C)(C)[C@@H]6CC[C@]54C)(OC2=O)[C@H]13 ZINC000255262413 KK Annotated Anodyne C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)[C@@H](O)O1 ZINC000255262419 KK Annotated Mild Cc1c2c(cc3c1O[C@@H]1c4c(cc(O)c(O)c4C)[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@@H](C)C(=O)C[C@]6(C)CC[C@]5(C)[C@H]4[C@@H]1O3)C1=CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)[C@@H](O)[C@]4(C)CC[C@]3(C)[C@]1(C)C=C2 ZINC000255262422 KK Annotated Clean 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CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H]([C@H]6C[C@@H]6C)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000255262522 KK Annotated Mild Cc1cc(Oc2c(O)cc(C)c3c2C[C@@H]2[C@](C)(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]24C)O3)cc2c1O[C@@]1(C)CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@@H]1C2 ZINC000255262523 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H]([C@H](OC(C)=O)CC3=CC(=O)C=C[C@@]32C)[C@H]2CC[C@H]([C@H](C)[C@H]3C[C@@]4(C)O[C@@](C)(O3)OC4(C)C)[C@@]12C ZINC000255262594 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)[C@H]4C[C@@]5(C)O[C@@](C)(O4)OC5(C)C)[C@@]13C)[C@H](OC(C)=O)CC1=CC(=O)C=C[C@@]12C ZINC000255262595 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000255262632 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@H]12 ZINC000255262633 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@H]12 ZINC000255262634 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000255262635 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC(=O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255262643 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000255262676 KK Annotated Anodyne C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H](O2)[C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000255262677 KK Annotated Anodyne CC(=O)OC[C@](C)(O)[C@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)OC(C)=O ZINC000255262681 KK Annotated Anodyne C=C(CCCC)[C@H](O)/C(C)=C/C=C/[C@@H]1OC(=O)C[C@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@@H]1O2 ZINC000255262725 KK Annotated Mild C=C(CCCC)[C@H](O)/C(C)=C/C=C/[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255262726 KK Annotated Mild C=C(CCCC)[C@H](O)/C(C)=C/C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)C=C(C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255262727 KK Annotated Mild C=C(CCCC)[C@H](O)/C(C)=C/C=C\[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255262728 KK Annotated Mild C=C(CCCC)[C@H](O)/C(C)=C/C=C/[C@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)C=C(C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000255262729 KK Annotated Mild CCCCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000255262748 KK Annotated Anodyne CCCCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000255262749 KK Annotated Anodyne CCCCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255262750 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@]43C)C2(C)C)[C@H](O)[C@H]1O ZINC000255262769 KK Annotated Mild CCCC[C@H](C)[C@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](C)CC(=O)O1 ZINC000255262782 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CCC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255262813 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CCC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C\N(C)C=O)OC ZINC000255262815 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255262817 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255262821 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCC[C@H](O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C\N(C)C=O)OC ZINC000255262824 KK Annotated Anodyne CCC(=O)O[C@@H](C/C=C(\C)C(=O)OC)[C@H](C(=O)OC)[C@@H](OC(C)=O)[C@@H](C[C@H](C)[C@H](OC(=O)CC(C)C)[C@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@@](CC(C)=O)(OC(C)=O)O2)O1)OC(=O)CC(C)C ZINC000255262859 KK Annotated Anodyne CC1=C[C@@H]2[C@@H](O)[C@H](C)CC[C@H]2[C@@H]2C(=O)OC(=O)C(C)=C3C[C@H](O)[C@@H](C)C3=C2[C@@H]1/C=C/C=C/C=C(\C)C[C@H](C)C[C@H](O)[C@@H](C)C(=O)O ZINC000255262891 KK Annotated Reactive C/C=C1/CN2COC[C@]3(C(=O)OC)[C@H]1C[C@H](c1c(OC)ccc4c5c([nH]c14)[C@]1(C(=O)OC)C[C@H]4C[C@H]([C@H](C)O)[C@@H]1N(CC5)C4)c1[nH]c4ccccc4c1C[C@H]23 ZINC000255262923 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@@](C)(Cl)[C@@H]3CC[C@@](C)(O3)[C@@H](O)CC/C(C)=C/[C@@H]12 ZINC000255262930 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@@](C)(Cl)[C@@H]3CC[C@](C)(O3)[C@@H](O)CCC(C)=C[C@@H]12 ZINC000255262933 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](OC(C)=O)C[C@]32C)[C@@]2(C)CC[C@H](C(C)(C)O)[C@H]12 ZINC000255262940 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@H]4[C@@H](OC(C)=O)C[C@]32C)[C@@]2(C)CC[C@H](C(C)(C)O)[C@H]12 ZINC000255262943 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000255262955 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](C[C@@H](O)[C@]5(C)[C@@H]7[C@H](C[C@H]45)O[C@@]4(CCC(C)(C)O4)[C@H]7C)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000255262983 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](C[C@@H](O)[C@]5(C)[C@@H]7[C@H](C[C@H]45)O[C@@]4(CCC(C)(C)O4)[C@H]7C)[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CCC(C)(C)O2 ZINC000255262984 KK Annotated Anodyne CC(=O)O[C@H](C[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1)C(=O)[C@]12CC[C@](C)(OC[C@@H]1C)O2 ZINC000255263113 KK Annotated Anodyne C/C1=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@@H]([C@H](C)[C@@H]3OC(=O)c2ccccc2)[C@@H]2[C@@H](C[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000255263115 KK Annotated Anodyne C/C1=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]23O[C@H]([C@H](C)[C@@H]3OC(=O)c2ccccc2)[C@@H]2[C@@H](C[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000255263116 KK Annotated Anodyne C/C1=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@@]23O[C@H]([C@H](C)[C@@H]3OC(=O)c2ccccc2)[C@@H]2[C@H](C[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000255263117 KK Annotated Anodyne COC1=C(C)C[C@@]23C=C(C(=O)O2)C(=O)[C@]2(C)[C@@H](C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]42)/C(C)=C/C[C@H](O)/C(C)=C/[C@H]3C1 ZINC000255263145 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)[C@]5(C)O[C@@H]5C[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255263263 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255263285 KK Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C=C[C@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000255263306 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255263307 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@@]21C)C(C)C ZINC000255263345 KK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@@]1(O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255263358 KK 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=C/C(=O)[C@]2(C)CC(=O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000255263359 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](O)C[C@H](OC(=O)/C=C/c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255263391 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)[C@H](O)C[C@H](OC(=O)/C=C\c4ccccc4)[C@@]2(C)[C@@H]13 ZINC000255263392 KK Annotated Anodyne C=C/C=C\[C@H]1[C@H]2[C@@H](/C=C/C=C/C=C/CCC)[C@H]2[C@@H]2C(=O)OC[C@]3(C)[C@H]4[C@@H]5C=C(CO)C[C@]6(O)C(=O)C(C)=C[C@H]6[C@@]5(O)[C@H](C)C[C@]43OC(=O)C/C=C/[C@H]12 ZINC000255263409 KK Annotated Mild C=C/C=C\[C@H]1[C@@H]2/C=C/CC(=O)O[C@]34C[C@H](C)[C@]5(O)[C@H](C=C(CO)C[C@@]6(O)C(=O)C(C)=C[C@@H]65)[C@H]3[C@]4(C)COC(=O)[C@@H]2[C@H]2[C@@H](/C=C/C=C/C=C/CCC)[C@H]21 ZINC000255263410 KK Annotated Mild C=C(C)[C@]12C[C@H](COC(=O)c3ccccc3)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(COC(=O)CCCCCCCCCCCCCCC)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000255263413 KK Annotated Mild C=C(C)[C@]12C[C@@H](COC(=O)c3ccccc3)[C@@]34O[C@@]5(CCCCCCC[C@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(COC(=O)CCCCCCCCCCCCCCC)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2 ZINC000255263414 KK Annotated Mild CC(=O)O[C@H]1C[C@H]([C@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000255263441 KK Annotated Mild CC(=O)O[C@H]1C[C@H]([C@@H](C)CC(=O)/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000255263442 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C[C@@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@@]3(C[C@H]2C)O[C@@H](CC[C@@]3(C)O)C1 ZINC000255263568 KK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255263579 KK Annotated Anodyne C=C(C)[C@H]1CC[C@@H](C)C2=C(C1)[C@@]1(C)Oc3cc4c(c(C)c3O[C@H]1C2)C=C[C@H]1[C@@]4(C)CC[C@@]2(C)[C@@H]3C[C@](C)(C(=O)OC)CC[C@]3(C)CC[C@]12C ZINC000255263586 KK Annotated Mild CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)C ZINC000255263591 KK Annotated Reactive CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)CC(C)C)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000255263605 KK Annotated Anodyne C=C(C)[C@@]12O[C@@]3(/C=C\C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000255263620 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000255263621 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C\CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000255263622 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@H]4O[C@@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@@H]4[C@@]1(O3)[C@H](C)[C@@H]2OC(=O)c1ccccc1 ZINC000255263623 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)c1ccccc1 ZINC000255263624 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000255263639 KK Annotated Mild C/C1=C\CC[C@](C)(O)[C@@H]2C[C@@H](CC[C@]3(C)O[C@H]3CC1)[C@H](CC[C@@]1(O)C(=O)O[C@H]3C[C@H]1CC[C@]1(C)O[C@H]1CC/C(C)=C/CC[C@]3(C)O)C(=O)O2 ZINC000255263640 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](C)CO ZINC000255263898 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255263900 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255263903 KK Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@]21C)OC(C)=O ZINC000255263909 KK Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@]21C)OC(C)=O ZINC000255263912 KK Annotated Anodyne C[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4[C@@]5(C)CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C=C[C@@H]2C1(C)C ZINC000255263944 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@H](OC(=O)/C=C/c7ccc(O)cc7)[C@H](O)[C@H]6O)CC[C@]45C)CC3=CC[C@H]2C1(C)C ZINC000255263986 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@](C)(CC[C@@H]5C(C)(C)[C@@H](O[C@H]6OC[C@H](OC(=O)/C=C/c7ccc(O)cc7)[C@@H](O)[C@@H]6O)CC[C@@]54C)CC3=CC[C@H]2C1(C)C ZINC000255263987 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000255263991 KK Annotated Anodyne CC(=O)O[C@H]1/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000255263992 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@H]6C(=CC[C@H]7C(C)(C)[C@@H](OC(C)=O)CC[C@]67C)C[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1 ZINC000255263998 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000255264009 KK Annotated Bother CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)C2=CC[C@@H]2[C@@]4(C)C[C@@H](O)[C@H](OC(=O)c5ccc(O)c(O)c5)[C@](C)(CO)[C@@H]4CC[C@]23C)O1 ZINC000255264030 KK Annotated Clean CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]2C=C3[C@H](C2)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000255264033 KK Annotated Bother C=C(C)[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OC)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000255264039 KK Annotated Mild C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\CO)[C@]4(O)C[C@H](OC)C(C)=C[C@H]4C(=O)O3)O2)[C@H](O)C[C@@H]1C ZINC000255264050 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255264054 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255264055 KK Annotated Anodyne 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]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255264071 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/CO)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000255264084 KK Annotated Anodyne C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/CO)[C@H](C[C@H]53)[C@H]([C@H]24)[C@H]1O ZINC000255264085 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000255264126 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)N[C@@H](Cc5cncn5C)C(=O)O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1c1ccc(=O)oc1 ZINC000255264137 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000255264144 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)C(C)(C)[C@H]3CC[C@]12C)C(C)C ZINC000255264179 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)/C=C\c4ccc(O)cc4)C(C)(C)[C@H]3CC[C@]12C)C(C)C ZINC000255264180 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@@]1(C)C3=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]4(C)C3=CC(=O)[C@@]1(O)O2 ZINC000255264206 KK Annotated Mild Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)CC(=O)[C@H](C)C[C@H]5[C@]4(C)CC[C@]13C)O[C@]1(C)C3=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]4(C)C3=CC(=O)[C@]1(O)O2 ZINC000255264207 KK Annotated Mild CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000255264210 KK Annotated Anodyne C=C/C(C)=C\[C@]1(C)C=C(C)[C@@H]2[C@H]3C[C@@H](C)C[C@@H](C)[C@@H]3[C@@H]3Oc4ccc(cc4)C[C@]4(O)C=C(C(=O)N4)C(=O)[C@H]1[C@H]32 ZINC000255264233 KK Annotated Mild C=C/C(C)=C/[C@]1(C)C=C(C)[C@@H]2[C@H]3C[C@@H](C)C[C@@H](C)[C@@H]3[C@@H]3Oc4ccc(cc4)C[C@]4(O)C=C(C(=O)N4)C(=O)[C@H]1[C@H]32 ZINC000255264234 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C/c3cc(O)c(C)cc3C(=O)O1)O2 ZINC000255264235 KK Annotated Anodyne CC(C)=C[C@@H](O)[C@H]1CC[C@H](C[C@@H]2CC(C)=C[C@]3(C[C@H](O)[C@@H]4O[C@H](C[C@H](C)[C@H]5O[C@@H]5CC/C=C/C(C)=C/C=C/CCO)[C@H](O)C[C@H]4O3)O2)O1 ZINC000255264250 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255264302 KK Annotated Mild CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@@H](OC)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000255264354 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C\c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000255264356 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000255264357 KK Annotated Anodyne C/C=C1/c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000255264376 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](Cl)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@@H](C)[C@H](O)C(=O)[C@@H](C)[C@H](C)/C=C/[C@H](O)[C@@H]2O ZINC000255264394 KK Annotated Reactive C=C1CC[C@H]2O[C@H]1CC/C(C)=C/[C@H]1C(=C(C)C[C@@H]3C(=O)C[C@@H](C)CCC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C[C@]13C(=O)OC)[C@H](O)C[C@]2(C)O ZINC000255264399 KK Annotated Mild CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](CSC)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000255264411 KK Annotated Mild C/C=C1/CN2CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccc(OC)cc45)[C@H](C[C@@H]12)N3C ZINC000255264413 KK Annotated Anodyne CC[C@@]12CC[C@@H]3N(C)c4ccc(Cc5ccc6c(c5)[C@@]57CCN8C[C@H]9O[C@H]9[C@@](CC)(CC[C@@H]5N6C)[C@H]87)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 ZINC000255264439 KK Annotated Clean CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@@H]2[C@H](C)C[C@@]4(OC(=O)[C@@H](C)[C@@H]4C)O[C@H](C3)[C@]21C ZINC000255264455 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@@H]2[C@H](C)C[C@@]4(OC(=O)[C@@H](C)[C@@H]4C)O[C@H](C3)[C@]21C ZINC000255264456 KK Annotated Anodyne C=C[C@@H]1[C@H](C)C[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@@H](O)C(=O)C(=C)C(C)C)[C@@H](OC(C)=O)C[C@@]24C)C[C@]13CCC(=O)O ZINC000255264477 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@@H](C(C)(C)O)CC[C@]2(C)[C@H]2CC[C@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]12C ZINC000255264498 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](C(C)(C)O)CC[C@]2(C)[C@@H]2CC[C@H]3[C@@]4(C)CCC[C@](C)(C(=O)O)[C@@H]4CC[C@@]3(C)[C@]12C ZINC000255264499 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC(=O)[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C/c3cc(O)c(C)cc3C(=O)O1)O2 ZINC000255264511 KK Annotated Anodyne CC(=O)OC[C@H](CC[C@H]1O[C@]1(C)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000255264527 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)C(C)C)C[C@H](OC(C)=O)[C@](C)([C@H]4CC(=O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255264538 KK Annotated Anodyne C=C1CCCC2=NC[C@@H](C)[C@@H](C)C[C@]23CCC([C@H]2OC(=O)C=C2C)=C(C)[C@H]3/C=C(\C)CC[C@H]2CC[C@]3(C[C@@H](O)C[C@@]4(O[C@@H](CC[C@@H]4O)C1)O3)O2 ZINC000255264546 KK Annotated Mild CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@H]4[C@H]3CC[C@]12C)C(C)C ZINC000255264554 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255264602 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]23C)C[C@@H]2C[C@H](O)[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000255264610 KK Annotated Anodyne C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255264630 KK Annotated Anodyne C[C@H]([C@@H]1CC[C@@]2(C)[C@@H]3C=C[C@@H]4C(C)(C)[C@@H](N(C)C(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255264631 KK Annotated Anodyne CC(=O)O[C@H]1CC(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)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000255264632 KK Annotated Mild CC(=O)O[C@@H]1CC(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)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000255264633 KK Annotated Mild CC(=O)O[C@H]1CC(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)C[C@@]23O[C@]2(C)C[C@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000255264634 KK Annotated Mild CC(=O)O[C@H]1CC(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)C[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000255264635 KK Annotated Mild CC(=O)O[C@@H]1CC(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)C[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000255264636 KK Annotated Mild CC[C@H](C)[C@H](C)/C=C/[C@H](C)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](OC(C)=O)C[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000255264637 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@@H]4[C@H](CC[C@H](O)C4(C)C)C3=CC[C@]12C)C(C)C ZINC000255264853 KK Annotated Mild C/C(=C\C(=O)O[C@H]1C[C@@H]2[C@H](C)CN(C)C[C@@H]2[C@H]1C)CC/C=C(\C)C(=O)O[C@H]1C[C@@H]2[C@H](C)CN(C)C[C@@H]2[C@H]1C ZINC000255265297 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@@H](O)[C@@](C)(O)C(=O)C[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C(=O)O[C@@H]2[C@@H](C)[C@@H](CC1)O[C@]1(CC[C@H](C)[C@@H](C[C@H](C)O)O1)[C@@H]2C ZINC000255265358 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(OC)C[C@](C)(O)CO1)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC=C4C[C@@H](c5ccccc5)OC[C@]4(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255266812 KK Annotated Anodyne COC/C=C/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)/C(CC(C)C)=C/C(=O)O[C@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000255267241 KK Annotated Anodyne CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C(=O)C[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255267924 KK Annotated Mild CCCCCC(=O)OC/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(C)O)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)C[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255267935 KK Annotated Mild CC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(OC)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1OC ZINC000255268100 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)/C(C)=C\C)[C@]2(C)[C@@H]3[C@@H]([C@H]2C(=O)C[C@H]3C)C1(C)C ZINC000255268110 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C(=O)C([C@@H]3CC[C@H]([C@H](C)[C@H]4C[C@@H]4[C@H](C)C(C)C)[C@@]3(C)CCO)=C[C@H](O)[C@H]2C1 ZINC000255268111 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000255268116 KK Annotated Anodyne C/C=C1\CN2COC[C@]3(C(=O)OC)[C@@H]2Cc2c([nH]c4ccccc24)[C@@H](c2cc4c5c([nH]c4cc2OC)[C@]2(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]2N(CC5)C4)C[C@H]13 ZINC000255268126 KK Annotated Anodyne C/C=C1/CN2COC[C@]3(C(=O)OC)[C@@H]2Cc2c([nH]c4ccccc24)[C@@H](c2cc4c5c([nH]c4cc2OC)[C@]2(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]2N(CC5)C4)C[C@H]13 ZINC000255268127 KK Annotated Anodyne C[C@H]1[C@H](OC(=O)/C=C/c2ccc(O)cc2)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 ZINC000255268138 KK Annotated Anodyne COC(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)\C=C\C=C(C)\C=C/CC(C)(C)O ZINC000255268153 KK Annotated Bother COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]3(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC(=O)[C@]4(C)[C@H]32)ccc1O ZINC000255268168 KK Annotated Anodyne CCCCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255268805 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(=O)CC(C)=C(C)C)[C@H]2[C@@H](C[C@@H](OC(C)=O)[C@@H]3C[C@@H](N(C)C)CC[C@]23C)[C@@H]2CC[C@H](C(C)=O)[C@]21C ZINC000255268827 KK Annotated Anodyne 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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255268852 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C ZINC000255268893 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@@H]1O[C@@](C)(CC=O)C[C@H]1C)/C=C/[C@H]1OC(=O)C=C[C@@H]1C ZINC000255268898 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3C[C@@H](O[C@H]4C[C@H](OC)[C@H](O[C@H]5C[C@H](OC)[C@H](O[C@H]6C[C@@H](OC)[C@H](O[C@H]7C[C@H](O)[C@H](O)[C@@H](C)O7)[C@@H](C)O6)[C@@H](C)O5)[C@@H](C)O4)CC[C@@]32C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C ZINC000255268945 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](OS(=O)(=O)O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000255269000 KK Annotated Bother CC(C)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@@]3(C)C4=CC[C@@H]([C@H]5CO[C@@H](C(C)(C)O)[C@H](O)C5)[C@]4(C)CC[C@H]23)C1(C)C ZINC000255269004 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC(=O)/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000255269048 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC(=O)/C=C(\C)C(=O)O)C[C@@H](O)[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000255269052 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H](C)[C@@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](OC(N)=O)C[C@@H](C)C[C@@H](O)[C@H]1C ZINC000255269108 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C\N(C)C=O ZINC000255269111 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000255269114 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000255269315 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@@]3(O[C@@]4(C(C)(C)O)CC[C@]3(C)O4)[C@@H]12 ZINC000255269334 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3Cc4c(cc(O)c(-c5ccoc5)c4C)[C@]3(C)[C@H](OC(=O)[C@H](C)CC)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255269368 KK 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](OC(=O)c2ccccc2)CC1=CC3 ZINC000255269378 KK Annotated Anodyne CCC[C@H](OC[C@@H]1CC[C@H]([C@@]2(C)O[C@]3(O[C@H](C[C@H]4O[C@@](O)([C@@H](C)C(=O)O)[C@H](C)[C@@H](O[C@@H]5CC[C@@H](OC)[C@H](C)O5)[C@]4(C)OC)C[C@H](OC)[C@H]3C)[C@@H](C)[C@@H]2OC)O1)[C@H]1O[C@@](C)(O)[C@H](C)[C@@H](OC)[C@@H]1C ZINC000255269390 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c(c3)c3c(n4C)[C@@H]4C[C@H]5/C(=C\C)CN4[C@@H](C3)[C@@H]5CO)C[C@@H]1[C@@H]2C(=O)OC ZINC000255269403 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)c3c(n4C)[C@@H]4C[C@H]5/C(=C\C)CN4[C@@H](C3)[C@@H]5CO)C[C@@H]1[C@@H]2C(=O)OC ZINC000255269404 KK Annotated Anodyne CCCCC/C=C\CCCCCCCCCCCCC(=O)OC[C@@H](C)CCC[C@@H](C)[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@]3(O)[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255269464 KK Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000255269487 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000255269500 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CC=CC(=O)[C@H](C)[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000255269501 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000255269503 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000255269504 KK Annotated Bother CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255269505 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(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 ZINC000255269506 KK Annotated Bother CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255269507 KK Annotated Bother CC(/C=C\C=C(C)\C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(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 ZINC000255269508 KK Annotated Bother CC(=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)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255269509 KK Annotated Bother CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255269510 KK Annotated Bother CC(/C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=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 ZINC000255269511 KK Annotated Bother CC(/C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=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 ZINC000255269512 KK Annotated Bother CC(/C=C\[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=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 ZINC000255269513 KK Annotated Bother C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)C(C)C)[C@@](C)(C4=C(C)[C@H](c5ccoc5)C[C@@H]4OC(C)=O)[C@H](CC(=O)OC)[C@]1(C)[C@H]32 ZINC000255269526 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)C(C)C)[C@@](C)(C4=C(C)[C@H](c5ccoc5)C[C@@H]4OC(C)=O)[C@H](CC(=O)OC)[C@]1(C)[C@H]32 ZINC000255269527 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)C(C)C)[C@@](C)(C4=C(C)[C@H](c5ccoc5)C[C@@H]4OC(C)=O)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000255269528 KK Annotated Anodyne CC(C)CCCCCCCCCCCC[C@@H]1O[C@H]2O[C@@H](COC(=O)[C@H](C)[C@@H](CCCCCCCCCCCC(C)C)O[C@@H]3O[C@H](COC(=O)[C@H]1C)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O ZINC000255269530 KK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@]2(O)C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255269554 KK Annotated Mild CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255269555 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000255269565 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@H](C)CCC(=O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)/C=C/N(C)C=O ZINC000255269566 KK Annotated Mild C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2C[C@H](O)[C@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000255269605 KK Annotated Anodyne C=C(C=O)C[C@@H]1C[C@H](OC(C)=O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1 ZINC000255269630 KK Annotated Reactive 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CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)[C@@H]4O)C[C@@H]1[C@@H]2C(=O)OC ZINC000255271501 KK Annotated Anodyne CC[C@H]1C[C@@H]2C[C@@]3(C(=O)OC)c4[nH]c5cc(OC)c([C@@H]6C[C@@H]7[C@H](C(=O)OC)[C@H](Cc8c6[nH]c6ccccc86)N(C)C[C@@H]7CC)cc5c4CCN([C@@H]13)[C@@H]2O ZINC000255271502 KK Annotated Anodyne CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](O)[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)[C@H]3C[C@@]4(C)O[C@@](c5cccnc5)(O3)OC4(C)C)[C@]21C ZINC000255271515 KK Annotated Mild C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255271545 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255271546 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000255271556 KK Annotated Anodyne CO[C@@H]1CC2=CC(=O)O[C@H](C2)[C@@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C1 ZINC000255271557 KK Annotated Anodyne CO[C@@H]1C[C@]2(C)C(=C1[C@H](C)C[C@H](OC(C)=O)[C@H]1OC1(C)C)C[C@@H](O)[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000255271566 KK Annotated Anodyne CO[C@H]1C[C@@]2(C)C(=C1[C@H](C)C[C@H](OC(C)=O)[C@H]1OC1(C)C)C[C@H](O)[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C ZINC000255271567 KK Annotated Anodyne C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)OC[C@@H](O)[C@@]2(C)CC[C@@H]3[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]3(C)CC(=O)O)O2)O1 ZINC000255271569 KK Annotated Mild C=C[C@@]1(C)CC[C@H]2[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]2(C)CC(=O)OC[C@@H](O)[C@]2(C)CC[C@H]3[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]3(C)CC(=O)O)O2)O1 ZINC000255271570 KK Annotated Mild C=C(C(=O)C[C@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255271575 KK Annotated Mild CC1=C[C@]2(C)C(=C(C)[C@H]3[C@H]4[C@@H]2C(=O)[C@@H]2C(=O)NC(=O)[C@H]2Cc2ccc(cc2)O[C@@H]4[C@@H]2[C@@H](C)C[C@@H](C)C[C@@H]32)[C@@H]1C ZINC000255271594 KK Annotated Anodyne CCC/C=C/C=C/C=C\C(=O)O[C@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@@]3(C)[C@H]2CC[C@@]24C[C@@]32CC[C@@H]4[C@@H]2C[C@H]([C@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000255271616 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](COC(C)=O)[C@]1(C)[C@@H]32 ZINC000255271634 KK Annotated Anodyne CO[C@H]1CC[C@H](O[C@@H]2C[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)/C=C(\C)C(=O)[C@H](C)C[C@H](C)C(=O)O)O3)O[C@]2(C)[C@H]2CC[C@@H](C)[C@]3(O2)O[C@@](C)([C@@H]2C[C@H](OC)[C@@H](C)[C@](O)(CO)O2)C[C@@H]3C)O[C@@H]1C ZINC000255271681 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255271689 KK Annotated Bother COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@@H]1CC(C)=C1C[C@@H](O)[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255271721 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@@H]1CC(C)=C1C[C@@H](O)[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255271722 KK Annotated Mild C=C(C)[C@@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@H]3O ZINC000255271725 KK Annotated Mild CC(C)CC[C@H]1O[C@@H](c2ccc(O)cc2)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000255271729 KK Annotated Mild CC[C@@H]1[C@@H](C)O[C@@](OC)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C=C/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]3(OC)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)[C@@H](C)O3)OC(=O)/C=C/C=C/[C@@H]2C)C[C@H]1OC ZINC000255271736 KK Annotated Anodyne C/C=C1/C[N@+]2(CCl)CC[C@@]34C(=O)c5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 ZINC000255271748 KK Annotated Reactive C/C=C1\C[N@+]2(CCl)CC[C@@]34C(=O)c5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 ZINC000255271749 KK Annotated Reactive CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3COC(C)(C)[C@@H](O)[C@H](O)C3)[C@]12C ZINC000255271766 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=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 ZINC000255271800 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255271803 KK Annotated Anodyne C=C[C@@](C)(O)CC/C=C(\C)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC[C@](C)(O)CCC=C(C)C ZINC000255271810 KK Annotated Mild CCC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)C[C@@H](O[C@H]2CC[C@H](OC)[C@@H](C)O2)[C@H]([C@]2(C)CC[C@@]3(C[C@H](OC)[C@@H](C)[C@H]([C@@H](C)[C@@H](OC)[C@H](CC)[C@H](C)O)O3)O2)O1 ZINC000255271834 KK Annotated Anodyne C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC/C(C)=C\C[C@H](/C=C(\C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=O ZINC000255271870 KK Annotated Mild C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@H](/C=C(/C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=O ZINC000255271871 KK Annotated Mild C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC/C(C)=C\C[C@H](/C=C(/C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=O ZINC000255271872 KK Annotated Mild C[C@H]([C@H](O)CCC(C)(C)OC(=O)c1ccccc1)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000255271901 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)/C(C)=C/C)[C@](C)([C@H]4C[C@@H](O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255271916 KK Annotated Anodyne C=C(CC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255271919 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255271920 KK Annotated Mild C=C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@H]1[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@@H]1[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]12C)C(C)C ZINC000255271921 KK Annotated Mild CC/C=C\[C@@](C)(O)OC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C ZINC000255271922 KK Annotated Anodyne CC/C=C/[C@@](C)(O)OC[C@@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C ZINC000255271923 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2[C@@H]1C)[C@]1(C)CC[C@H]([C@H](C)CCC(CC)=C(C)C)[C@@]1(C)CC3 ZINC000255271950 KK Annotated Anodyne C[C@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)C[S@@](=O)[C@@]1(C[C@H](O)N2[C@H](c4ccoc4)CC[C@@H](C)[C@@H]2C1)C3 ZINC000255271956 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@H]1C(C)(C)CC(=O)C[C@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H]1C(C)(C)CC(=O)C[C@@]1(C)O ZINC000255271962 KK Annotated Bother CC[C@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5CC6=CCO[C@H]1[C@H]([C@H]6C[C@H]53)[C@@H]24 ZINC000255271963 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000255272026 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000255272027 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CCC(C)=C[C@@H]12)O3 ZINC000255272028 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H](OC(=O)/C=C/c2ccccc2)[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4c4ccoc4)[C@]3(C)[C@H](O)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255272037 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H]4[C@](C)(CC[C@H](OC(C)=O)[C@]4(C)CO)C3=CC[C@]12C)C(C)C ZINC000255272068 KK Annotated Mild C=C[C@@H]1C=C(C)[C@H]2[C@H]3[C@H]1C(=O)[C@H]1C(=O)N[C@]4(Cc5ccc(cc5)O[C@@H]3[C@@H]3[C@@H](C)C[C@@H](C)C[C@@]23C)O[C@H]2[C@@]3(C(=O)N[C@@]2(O)Cc2ccc(cc2)O[C@H]2[C@@H]5[C@@H](C3=O)[C@H](C=C)C=C(C)[C@@H]5[C@]3(C)C[C@H](C)C[C@H](C)[C@@H]23)[C@H]14 ZINC000255272073 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C\c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@H]3C[C@@H]([C@H](O)C(C)(C)O)O[C@@H]3O)[C@]12C ZINC000255272075 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@H]3C[C@H]([C@H](O)C(C)(C)O)O[C@H]3O)[C@]12C ZINC000255272076 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(=O)/C=C/c3ccccc3)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@H]4[C@H]3C[C@@H]([C@H](O)C(C)(C)O)O[C@@H]3O)[C@]12C ZINC000255272077 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000255272092 KK 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@@H]2C=C3C(C)(C)C[C@@H](O)C[C@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000255272093 KK 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@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000255272094 KK 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@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000255272095 KK 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@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000255272096 KK 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@H]2C=C3C(C)(C)C[C@@H](O)C[C@@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000255272097 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@H](O)CSC[C@H](N)C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3 ZINC000255272107 KK Annotated Mild C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255272184 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\[C@@H](O)[C@@H](O)/C=C/C=C\c2nc(co2)C(=O)O[C@@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C/C=C\C=C\[C@H](OC)Cc2nc(co2)C(=O)O1 ZINC000255272185 KK Annotated Anodyne COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000255272195 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000255272196 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000255272197 KK Annotated Mild 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@H](CCC(C)(C)O)C(C)(C)O)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O ZINC000255272234 KK Annotated Bother 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@H](CCC(C)(C)O)C(C)(C)O)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O ZINC000255272235 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](CCC(C)(C)O)C(C)(C)O ZINC000255272236 KK Annotated Bother in-vitro CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O ZINC000255272237 KK Annotated Bother CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000255272337 KK Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000255272338 KK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4[C@@H](C)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255272339 KK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](C)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000255272340 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](C(C)(C)O)[C@@H]3[C@@H](OC(C)=O)C[C@]21C ZINC000255272360 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]34C(=O)O[C@]12[C@H]3CC[C@@H]1[C@@]2(C)C=C[C@](C)(COC(C)=O)[C@@H]2CC[C@]14C ZINC000255272363 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1C=C(C)/C1=C\C[C@](C)(O)[C@H]3CC=C(C)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000255272381 KK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1C/C=C/[C@@H]2CC[C@H]3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)/C2=C/C[C@@H]1C)C(C)C ZINC000255272388 KK Annotated Anodyne COc1cc(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)COCN[C@H]6CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]2[C@H](C)N(C)C)cc(OC)c1O ZINC000255272425 KK Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000255272437 KK Annotated Bother CNCCc1cn(-c2cccc3c2N[C@H]2N(C)CC[C@@]32c2ccc3c(c2)[C@@]2([C@@]45CCN(C)[C@@H]4Nc4c([C@@]67CCN(C)[C@@H]6Nc6ccccc67)cccc45)CCN(C)[C@H]2N3)c2ccccc12 ZINC000255272440 KK Annotated Anodyne C=C(CCC=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@H]4C[C@@H](O)[C@H](O)[C@@H](CO)O4)C(C)(C)[C@@H]3CC[C@]12C ZINC000255272512 KK Annotated Mild C[C@H]([C@@H]1[C@@H](OC(=O)c2ccccc2)C[C@]2(C)[C@H]3CC[C@@H]4[C@]5(CC[C@H]6NC(C)(C)OC[C@@]64C)C[C@]35CC[C@@]12C)N(C)C ZINC000255272530 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@H](CC)[C@H]2CC[C@H](O2)[C@@H](C)[C@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](C)[C@H]2CC[C@H](O2)[C@H]1C ZINC000255272532 KK Annotated Anodyne C/C(=C\CC/C(C)=C/CC/C(=C/C(=O)c1cc(O)ccc1O)C(=O)OC[C@](C)(O)[C@@H](O)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)CO ZINC000255272542 KK 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#CC1=C(C)C[C@@H](O)CC1(C)C ZINC000255272544 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H](O)C[C@]23C)C1(C)C ZINC000255272554 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H](O)C[C@]23C)C1(C)C ZINC000255272555 KK Annotated Anodyne CC[C@H](O)C[C@@H]1O[C@]2(CC[C@H]1C)C[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)C[C@@H](O)[C@H](C)CCCCC/C=C/[C@H](CC(C)C)C(=O)C[C@H](O2)[C@H]1C ZINC000255272565 KK Annotated Anodyne CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)[C@]46CCN7CCC[C@@]8(CC[C@@]4([C@H](C(=O)OC)C8)N5C)[C@H]76)C1)[C@H]32 ZINC000255272611 KK Annotated Clean C/C=C(/C)C(=O)O[C@@H]1[C@@H](O[C@H]2OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(C)=C/COC(C)=O)C(C)=CC[C@@H]2C1(C)C ZINC000255272624 KK Annotated Anodyne CC(C)=CCC[C@@H](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)CCC=C(C)C ZINC000255272648 KK Annotated Bother CC(C)=CCC[C@@H](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)CCC=C(C)C ZINC000255272649 KK Annotated Bother CC(C)=CCC[C@@H](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)CCC=C(C)C ZINC000255272650 KK Annotated Bother CC(C)=CCC[C@@H](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)CCC=C(C)C ZINC000255272651 KK Annotated Bother C/C=C1/CN2CC[C@]34C(=Nc5cc6c(cc53)[C@@H](C)[C@@H]3[C@@H](OC[C@H]5[C@@H]7Cc8c(n(C)c9ccc(OC)cc89)[C@H](C[C@H]53)N7C)O6)[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000255272652 KK Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@H]1C=CC(=O)N4c5ccccc5[C@@]3(C[C@@H]2C2=C[C@@H]3[C@@H]5N(C2=O)c2ccccc2[C@@]52CCN5C/C(=C\C)[C@@H]3C[C@H]52)[C@H]14 ZINC000255272659 KK Annotated Anodyne C/C=C1\CN2[C@H]3C[C@@H]1[C@@H]1C=CC(=O)N4c5ccccc5[C@@]3(C[C@@H]2C2=C[C@@H]3[C@@H]5N(C2=O)c2ccccc2[C@@]52CCN5C/C(=C/C)[C@@H]3C[C@H]52)[C@H]14 ZINC000255272660 KK Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@@H]([C@H]97)[C@H]7C[C@@H]8N6C/C7=C/C)=C[C@@H]([C@H]53)[C@H]1C[C@H]24 ZINC000255272661 KK Annotated Anodyne C/C=C1\CN2CC[C@]34c5ccccc5N5C(=O)C([C@H]6C[C@]78c9ccccc9N9C(=O)C=C[C@H]([C@H]97)[C@H]7C[C@@H]8N6C/C7=C/C)=C[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000255272662 KK Annotated Anodyne C=C1C[C@@]23OC(=O)C/C=C/[C@H]4[C@H]5[C@H](/C=C/CC)[C@H]5[C@H](c5ccc(OC)c(OC)c5)[C@@H]4C(=O)OC[C@]2(C)[C@H]3[C@@H]2C=C(CO)C[C@@H]3C(=O)C(C)=C[C@H]3[C@@]12O ZINC000255272678 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@@H](CC)[C@@H]3[C@]5(C(=O)OC)C4)C[C@H]1[C@H]2C(=O)OC ZINC000255272679 KK Annotated Anodyne C/C=C1\CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255272680 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@@H](CC)[C@H]3[C@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255272681 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000255272682 KK Annotated Anodyne C/C=C1/CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@H]1[C@H]2C(=O)OC ZINC000255272683 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255272684 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255272685 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@](C)(O)[C@H]1/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)CCC=C(C)C ZINC000255272688 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000255272709 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@H](OC)[C@@H](C)[C@@H](O)C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H]1C ZINC000255272710 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C\N(C)C=O ZINC000255272711 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@H](C)[C@@H](O)C[C@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000255272712 KK Annotated Anodyne CC(=O)O[C@H]1O[C@H](C(C)(C)OC(C)=O)C(=O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)C[C@@H](OC(C)=O)[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255272739 KK Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255272786 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000255272787 KK Annotated Anodyne CC[C@H]1CCC[C@H](O[C@@H]2CC[C@@H](NC)[C@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]4C=C[C@@H]3[C@H]2CC(=O)O1 ZINC000255272813 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4C=Cc5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC=C8[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@@]78C)[C@@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255272842 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@@]23CCC([C@H]2OC(=O)C=C2C)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@H](CC[C@H]4O)C1)O3)O2 ZINC000255272854 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@](O)([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000255272856 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc4c5c([nH]c4c3)[C@@H]3C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000255272863 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000255272887 KK Annotated Anodyne CC[C@@H](C)C(=O)O[C@@]1(C)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@@H](O)[C@@H](O)[C@H](OC)/C(C)=C/C=C/[C@@H](C)[C@@H]([C@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC1=O ZINC000255272888 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](O[C@@H](C=C(C)C)C[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4[C@@H](OC(C)=O)C=C5[C@H](CC[C@H](OC(C)=O)C5(C)C)[C@]4(C=O)CC[C@]23C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000255272931 KK Annotated Mild C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/C=C/CCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(COC(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000255272942 KK Annotated Mild C=C(C)C(=O)[C@@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC(C)=O)C=C4[C@H](CC[C@H](OC(C)=O)C4(C)C)[C@]3(C=O)CC[C@]12C)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000255272948 KK Annotated Mild CCCc1cc(OC)cc(O)c1C(=O)O[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@@]34C=C[C@]2(C1)OO4 ZINC000255272977 KK Annotated Reactive CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@@H]5CC[C@](O)(CC)[C@@H](C)O5)O4)O3)[C@H](C)C[C@H]2C)[C@H](C)C[C@@H]1C ZINC000255272982 KK Annotated Anodyne CC[C@H](C(=O)O)[C@H]1O[C@@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)[C@H](C)C[C@@H]1C ZINC000255272984 KK Annotated Anodyne CC[C@H](C(=O)O)[C@H]1O[C@@H]([C@H](C)[C@H](O)[C@@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)[C@H](C)C[C@@H]1C ZINC000255272985 KK Annotated Anodyne CO[C@H]1C/C=C\C=C\C[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)CC(=O)O[C@@H]([C@H](C)[C@@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@@H](O)/C=C(\C)CCC(=O)O)C[C@H](O)CCC1 ZINC000255273000 KK Annotated Anodyne CO[C@@H]1C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C=C(\C)CCC(=O)O)C[C@H](O)CCC1 ZINC000255273001 KK Annotated Anodyne in-vitro C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3[C@@H](O)[C@H]4C[C@]5(C(=O)OC)[C@@H]3C[C@H]4CC)C[C@@H]1[C@@H]2C(=O)OC ZINC000255273007 KK Annotated Anodyne COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@@]5(C)C7=CC=C8[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@@]8(C)C7=CC(=O)[C@@]5(O)O6)[C@]4(C)CC[C@@]23C)CC1=O ZINC000255273011 KK Annotated Mild CO[C@H]1C[C@@H](C[C@H]2O[C@@](O)([C@@H](C)C(=O)O)[C@H](C)[C@@H](OC)[C@]2(C)OC)O[C@]2(O[C@](C)([C@H]3CC[C@@H]([C@H]4CC[C@@H]([C@H]5O[C@@](C)(O)[C@H](C)[C@@H](O[C@@H]6CC[C@@H](OC)[C@H](C)O6)[C@@H]5C)O4)O3)[C@@H](OC)[C@@H]2C)[C@@H]1C ZINC000255273017 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCC)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255273022 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(=O)CCCCCCCCC/C=C\CCCC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255273035 KK Annotated Mild CC[C@H](C(C)C)[C@H](Br)[C@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]21C ZINC000255273037 KK Annotated Reactive 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@H](CO)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CN)[C@@H]4CC[C@]23C)C1(C)C ZINC000255273044 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000255273045 KK Annotated Bother CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@@H](O)[C@H](O)[C@@H](C)O2)/C=C/[C@@H](C)C[C@@H]1C ZINC000255273046 KK Annotated Anodyne CO[C@H]1[C@H](C)[C@@H](C[C@@H]2C[C@@H](OC)[C@H](C)[C@@]3(O2)O[C@@](C)([C@@H]2O[C@@H]([C@@H]4CC[C@H]([C@H]5O[C@@](C)(O)[C@H](C)C[C@@H]5C)O4)C[C@H]2O[C@@H]2CC[C@@H](OC)[C@H](C)O2)C[C@H]3C)O[C@@](O)([C@@H](C)C(=O)O)[C@@H]1C ZINC000255273081 KK Annotated Anodyne CO[C@@H]1CC[C@@H](O[C@@H]2C[C@@H]([C@H]3CC[C@H]([C@H]4O[C@](C)(O)[C@H](C)C[C@@H]4C)O3)O[C@H]2[C@]2(C)C[C@@H](C)[C@@]3(O[C@H](C[C@@H]4O[C@](O)([C@@H](C)C(=O)O)[C@@H](C)[C@H](OC)[C@@H]4C)C[C@@H](OC)[C@H]3C)O2)O[C@H]1C ZINC000255273082 KK Annotated Anodyne CC[C@@H]1C[C@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@H](C=C[C@@H]4[C@H](O[C@@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@H](C)O5)[C@H](C)CC[C@H]42)C/C=C/C/C=C/[C@]3(C)C=C1C(=O)O ZINC000255273094 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@]12[C@@H](O)[C@H](OC)[C@@]3(O)C[C@H]([C@@H]1[C@H]3OC(=O)c1ccccc1)[C@@]13[C@@H](OC)C[C@@H](O)[C@@]4(COC)CN(CC)[C@@H]1[C@@H]2[C@H](OC)[C@@H]34 ZINC000255273114 KK Annotated Mild 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C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C\C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/C[C@H]1O[C@H](C[C@H](O)[C@H]1C)[C@@H](O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)/C=C/CC/C=C/C2)[C@H]3C ZINC000255273281 KK Annotated Anodyne C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C/C=C/C=C/[C@H]1O[C@@H]3C[C@H]1O[C@@H](/C=C/C[C@H]1O[C@H](C[C@H](O)[C@H]1C)[C@@H](O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)/C=C/CC/C=C/C2)[C@@H]3C ZINC000255273282 KK Annotated Anodyne C/C(=C\[C@H](C)CCCCC(=O)O)[C@@H]1O[C@@H]2C=C[C@@H]1OC(=O)/C=C/C=C/C=C/[C@H]1O[C@H]3C[C@@H]1O[C@@H](/C=C/C[C@H]1O[C@H](C[C@H](O)[C@H]1C)[C@@H](O)[C@@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)/C=C/CC/C=C/C2)[C@@H]3C ZINC000255273283 KK Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](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)CC[C@H](C)C(C)(C)[C@H]3C=C[C@]21C)OC(C)=O ZINC000255273285 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000255273292 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255273303 KK Annotated Mild C=C(C)C[C@@H](C[C@]1(C)OC(=O)[C@]23CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13)OC(C)=O ZINC000255273354 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c(cc3OC)C(=O)[C@@]3(CCN5C[C@@H]6C[C@H](CC)[C@H]5[C@H]3C6)N4)C[C@@H]1[C@H]2C(=O)OC ZINC000255273358 KK Annotated Anodyne CC[C@H](O)C[C@H](O)C/C=C(C)/C=C(C)\C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255273391 KK Annotated Anodyne CC[C@H](O)C[C@H](O)C/C=C(C)/C=C(C)/C=C(C)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@@H]([C@@H](C)C/C(C)=C/[C@@H](C)[C@H](O)C[C@@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255273392 KK Annotated Anodyne C/C=C1/C[N@@+]2(C)CCc3c([nH]c4ccc(O)c([C@@H]5C[C@@]6(CC)CCCN7CCc8c(n5c5ccccc85)[C@H]76)c34)[C@H]2C[C@@H]1CCO ZINC000255273439 KK Annotated Clean CC[C@@H]1[C@H]2OC(=O)/C=C/[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@@H](O)[C@@H](C)C/C=C/C=C/[C@H](C)CC[C@H](O[C@@]13O[C@H](C[C@H](C)O)[C@@H](C)CC3=O)[C@@H]2C ZINC000255273487 KK Annotated Anodyne C=C(C)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)[C@H](OC)O1 ZINC000255273513 KK Annotated Mild C=C(C)[C@H](O)[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@H](OC(=O)C=C(C)C)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)[C@H](OC)O1 ZINC000255273514 KK Annotated Mild C=C1CC[C@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@@H]1C[C@@]23C(=O)[C@]1(C(C)C)C(=O)C(O)=C2[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]3C=O ZINC000255273527 KK Annotated Mild 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C/C=C1/C[C@H]2[C@H]3C[C@@H]1[C@@H]([C@H]1OC[C@H]4[C@H]5C[C@@H]6N(CC[C@@]67[C@@H]6CCCC[C@H]6N1[C@@H]47)C[C@H]5CC)[C@@H]2Cc1c3[nH]c2ccccc12 ZINC000255273613 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1 ZINC000255273800 KK Annotated Bother CCC(=O)[C@]1(C)O[C@@H]1[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O2)/C=C/[C@@H](C)[C@@H](O)[C@H]1C ZINC000255273815 KK Annotated Anodyne C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)COC(=O)CCCCCCCCCCC)C[C@H](O)[C@H]3C)[C@H](O)CC(C)C ZINC000255273875 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@@]23CCC([C@H]2OC(=O)C=C2C)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@H](CC[C@]4(C)O)C1)O3)O2 ZINC000255273981 KK Annotated Mild 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CC(=O)O[C@H]1[C@@H]2[C@H](CS(=O)(=O)CCN2CC2=C[C@H](O)[C@H](/C(C)=C/C=C/[C@H](C)/C=C/CC(C)C)[C@@H](O)C2=O)C(=O)[C@H](O)[C@H]1/C(C)=C/C=C\[C@@H](C)/C=C\CC(C)C ZINC000255274927 KK Annotated Mild CC(=O)O[C@H]1[C@@H]2[C@H](CS(=O)(=O)CCN2CC2=C[C@H](O)[C@H](/C(C)=C/C=C/[C@H](C)/C=C/CC(C)C)[C@@H](O)C2=O)C(=O)[C@H](O)[C@H]1/C(C)=C/C=C\[C@@H](C)/C=C/CC(C)C ZINC000255274928 KK Annotated Mild C[C@H]1C(CO)=CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)[C@@](C)(COS(=O)(=O)O)[C@@H]5CC[C@]43C)[C@]12C ZINC000255274934 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H](O)C[C@]23C)C1(C)C ZINC000255275101 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@H](OC)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255275143 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@H](OC)O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]14C)[C@@H]23 ZINC000255275147 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4C[C@@H](OC)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255275150 KK 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=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255275159 KK Annotated Bother 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=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255275163 KK Annotated Bother C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](O)C[C@H](OC(=O)/C(C)=C/C)[C@](C)([C@H]4CC[C@]5(C)C(=CC[C@H]5c5ccoc5)[C@]14C)[C@@H]23 ZINC000255275224 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](O)C[C@H](OC(=O)/C(C)=C/C)[C@](C)([C@@H]4CC[C@]5(C)C(=CC[C@H]5c5ccoc5)[C@]14C)[C@@H]23 ZINC000255275227 KK Annotated Anodyne CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@@H]1O[C@](C)(CC=O)C[C@@H]1C)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000255275234 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](OC)[C@]3(O)C[C@@H]([C@H]1[C@H]3OC(=O)c1ccc(OC)cc1)[C@]13[C@@H](OC)CC[C@]4(COC)CN(CC)[C@H]1[C@H]2[C@@H](OC)[C@@H]43 ZINC000255275238 KK Annotated Mild C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000255275295 KK Annotated Mild 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](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@@]45C[C@@]35CC[C@]12C ZINC000255275526 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)C=CC(=O)[C@@]2(C)[C@@H]13 ZINC000255275628 KK Annotated Mild C=CC(=C)CC[C@]1(C)[C@@H](C)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@H](O)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000255275684 KK Annotated Mild C/C(=C/C(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C)C(C)C ZINC000255275782 KK Annotated Anodyne C/C(=C\C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C)C(C)C ZINC000255275783 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@]12C[C@H](OC)[C@H]3C[C@H]([C@@H]1[C@H]3OC(C)=O)[C@@]13[C@@H](OC)CC[C@@]4(COC)C=N[C@@H]1[C@@H]2C[C@H]43 ZINC000255275835 KK Annotated Mild C/C1=C2/N/C(=C\C3=N/C(=C(/C)C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@@](C)(CCC(N)=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000255275853 KK Annotated Anodyne CC1=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/[C@H](O)C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000255275977 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(O)Oc7c(cc8c(c7C)C(=O)C=C7[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@]78C)O[C@]56C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255276053 KK Annotated Mild C[C@@H]1[C@H](OC(=O)[C@H]2[C@H](c3ccc(O)cc3)[C@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H]2c2ccc(O)cc2)C[C@H]2[C@@H](C)CN(C)C[C@H]21 ZINC000255276063 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13 ZINC000255276515 KK Annotated Anodyne CC(=C/C(C)=C/C=C/C(C)=C/[C@H](O)[C@H](O)C[C@H](C)O)/C=C/C(=O)O[C@H]1CCCC(=O)O[C@H]([C@@H](C)C/C(C)=C/[C@H](C)[C@@H](O)C[C@H](C)O)C/C=C(\C)C[C@@H]1C ZINC000255276678 KK Annotated Anodyne C[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@H]2[C@@]4(C)CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)[C@H](O)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255276697 KK Annotated Anodyne C[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=C[C@@H]2[C@@]4(C)CC[C@H]([C@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]4CC[C@]23C)C1(C)C ZINC000255276703 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5COC(=C(C)C)C(=O)C5)[C@]4(C)CC[C@H]3[C@@]12C ZINC000255276857 KK Annotated Mild CC[C@H](C)[C@@H](OC(C)=O)C(=O)O[C@@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(C)=O)C[C@H]1C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000255276889 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)CC(=O)CC(C)C)[C@@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000255277218 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@]3(C)[C@H]4CC[C@H]5C(C)(C)CCC[C@]5(C)C4=CC[C@@]23C)[C@H]1C(C)C ZINC000255277219 KK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CCC[C@@]2(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)OC[C@H]2C(=C)CC[C@@H]4[C@]2(C)CCC[C@@]4(C)COC(=O)[C@H](CC(=O)O)[C@H](C(=O)O)OC[C@@H]13 ZINC000255277225 KK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CCC[C@@]2(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)OC[C@@H]2C(=C)CC[C@@H]4[C@]2(C)CCC[C@@]4(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)OC[C@@H]13 ZINC000255277226 KK Annotated Mild C=C1CC[C@@H]2[C@]3(C)CCC[C@@]2(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)OC[C@H]2C(=C)CC[C@@H]4[C@]2(C)CCC[C@@]4(C)COC(=O)[C@@H](CC(=O)O)[C@H](C(=O)O)OC[C@@H]13 ZINC000255277227 KK Annotated Mild O[C@]12C=C([C@@H]3c4[nH]c5ccccc5c4CCN3CCc3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000255277233 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@@H]1CC(C)=C1C[C@@H](O)[C@@](C)(O)[C@@H]3CC[C@@](C)(Cl)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255277252 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@@H]1CC(C)=C1C[C@@H](O)[C@@](C)(O)[C@@H]3CC[C@@](C)(Cl)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255277253 KK Annotated Mild CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@H](CC[C@@H]4C[C@H](OC(=O)CCCCCCC(=O)O)CC[C@@]34C)[C@]23O[C@H]13 ZINC000255277256 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@H]3C=C[C@H]4[C@](C)(CO)[C@H](Nc5ccc(C=O)cc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255277268 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]12 ZINC000255277302 KK Annotated Mild C=C1C[C@H](O)CC(C)(C)[C@]1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000255277418 KK Annotated Mild 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)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255277465 KK Annotated Bother 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)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255277468 KK Annotated Bother 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)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255277470 KK Annotated Bother 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)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255277472 KK Annotated Bother 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)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000255277473 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2C(=CC[C@@H]3[C@@](C)(CO)C(=O)CC[C@]23C)[C@@]2(C)CC[C@@H]([C@H]3CO[C@@H](C=C(C)C)C3)[C@]12C ZINC000255277488 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC(=O)[C@@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000255277511 KK Annotated Anodyne C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@]2(C)[C@H](OC(=O)[C@H](O)/C(C)=C/C)C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@@H]12 ZINC000255277515 KK Annotated Anodyne CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](C(C)C)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000255277526 KK 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=C/C(=O)[C@]2(C)CC[C@@H](O)C2(C)C)C(C)(C)C[C@H](O)C1 ZINC000255277804 KK Annotated Mild CCC[C@H]([C@H](C)O)[C@H](OC)[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@@H]3O[C@](CCC)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)C[C@H]3O[C@H]3CC[C@H](OC)[C@H](C)O3)O2)C[C@H](OC)[C@H]1C ZINC000255277829 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C/C=C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)/C=C(C)\C=C\[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000255277833 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC(=O)c5c(cc6c(c5C)O[C@]5(O)C(=O)C=C7C(=CC=C8[C@@]9(C)CC[C@@]%10(C)CC(=O)[C@H](C)C[C@H]%10[C@]9(C)CC[C@@]78C)[C@]5(C)O6)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000255278001 KK Annotated Mild C[C@@H]1O[C@H](O[C@H]2[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)O[C@H]3CO[C@H](c4ccccc4)O[C@H]32)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000255278006 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@](C)([C@@H](C=O)[C@@H]1C(C)=O)[C@H](O)C[C@@H]1[C@@]3(C)CCC[C@](C)(CC)[C@H]3CC[C@@]21C ZINC000255278031 KK Annotated Mild C[C@H]1CC[C@H](c2ccoc2)N2[C@H]1CC[C@@]1(C[S@](=O)[C@@]3(CCN4[C@H](c5ccoc5)CC[C@@H](C)[C@@H]4C3)C1)[C@H]2O ZINC000255278039 KK Annotated Anodyne CO[C@@H]1O[C@H](C=C(C)C)[C@@H](O)[C@]1(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@@](C)(CO)[C@@H](O)CC[C@@]45C[C@@]35CC[C@H]12 ZINC000255278041 KK Annotated Anodyne COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(COC(C)=O)[C@H]3C[C@H](O)[C@]23O[C@@]3(C)[C@H](OC(C)=O)[C@@H](C)[C@H](C)C(C)(C)O)C1 ZINC000255278049 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2([C@]23C[C@H]4CC[C@H](O)[C@H](C)[C@@]4(C)[C@H](OC(=O)/C(C)=C\C)C2=C(C)C(=O)O3)C[C@H]2CC[C@H](O)[C@H](C)[C@@]12C ZINC000255278075 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2([C@]23C[C@@H]4CC[C@H](O)[C@H](C)[C@@]4(C)[C@H](OC(=O)/C(C)=C\C)C2=C(C)C(=O)O3)C[C@@H]2CC[C@H](O)[C@H](C)[C@]21C ZINC000255278076 KK Annotated Anodyne CC/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)[C@@H](O)[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1 ZINC000255278082 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255278095 KK Annotated Mild CC(=O)OC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@@H]3CC[C@]21C)OC(C)=O ZINC000255278104 KK Annotated Anodyne Oc1ccc2[nH]c3c(c2c1)CCN=C3[C@]12O[C@H]1[C@@]1(O)CC/C=C\CCCCN3CC[C@@H]2[C@]2(C[C@@H]4C=CCCCCN4[C@@H]12)C3 ZINC000255278117 KK Annotated Anodyne C/C=C\C=C\[C@@H]1O[C@](O)([C@H](CC)C(=O)N/C=C/C=C(\C)[C@H](C[C@H](O)[C@H](O)C/C=C\C=C\C=C\C=C(/C)C(=O)C2=C(O)CCN(CC)C2=O)OC)C[C@H](O)C1(C)C ZINC000255278126 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](O)C[C@]4(C)C3=C[C@H](OC)[C@@]21C)C(C)C ZINC000255278127 KK Annotated Mild CC[C@H](C)C/C=C/[C@H](C)/C=C/[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](C)CCC[C@@H](CC[C@H](O)[C@H](C)/C=C/C[C@H](C)CCCC(C)C)COC(C)=O ZINC000255278135 KK Annotated Anodyne CCO[C@]1(C)OC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@H]2[C@@H]1Cc1cc2c4c(n(C)c2cc1OC)[C@@H]1C[C@H]2C(C(C)=O)=COC[C@H]2[C@H](C4)N1C)N3C ZINC000255278149 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@H]4CC[C@@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000255278156 KK 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@@H](CC[C@]43C(=O)O)C(C)(C)[C@@H](OC(C)=O)C[C@H]5OC(C)=O)[C@@H]12 ZINC000255278171 KK Annotated Mild CC[C@@H]1O[C@@H]([C@]2(C)C[C@@H](C)[C@](O)([C@]3(C)CC[C@@H]([C@H](O)[C@]4(O)O[C@H](C[C@@]5(O)O[C@@H]([C@@H](C)[C@H](O)C[C@@H]6O[C@H]([C@@H](C)C(=O)O)[C@@H](C)C[C@H]6C)CC[C@@H]5C)[C@@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O ZINC000255278200 KK Annotated Anodyne CC[C@@H]1O[C@@H]([C@]2(C)C[C@@H](C)[C@](O)([C@]3(C)CC[C@@H]([C@H](O)[C@]4(O)O[C@H](C[C@@]5(O)O[C@@H]([C@@H](C)[C@H](O)C[C@@H]6O[C@H]([C@@H](C)C(=O)O)[C@@H](C)C[C@H]6C)CC[C@H]5C)[C@@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O ZINC000255278201 KK Annotated Anodyne CC[C@@H]1O[C@@H]([C@@]2(C)C[C@@H](C)[C@](O)([C@@]3(C)CC[C@H]([C@H](O)[C@]4(O)O[C@@H](C[C@]5(O)O[C@H]([C@H](C)[C@H](O)C[C@H]6O[C@H]([C@@H](C)C(=O)O)[C@@H](C)C[C@H]6C)CC[C@H]5C)[C@@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O ZINC000255278202 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H](C(C)(C)O)CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255278229 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=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 ZINC000255278246 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=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 ZINC000255278247 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=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 ZINC000255278248 KK Annotated Bother CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255278360 KK Annotated Anodyne CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]2(C)CC1)C(C)(C)O ZINC000255278427 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@](C)(C(=O)O)[C@@H](O)CC[C@@]23C[C@]32CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000255278491 KK Annotated Anodyne CC/C=C(\C)[C@H]1O[C@]2(C[C@H](O)[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\OC[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255278492 KK Annotated Anodyne C=C1/C=C(\C)[C@H](C)C[C@H](O)CC(=O)[C@H](O)[C@H](O)[C@@H](C)C[C@H](C)OC(=O)/C(C)=C/CCCC[C@H]2O[C@@H]2C[C@@H](C)C1 ZINC000255278612 KK Annotated Mild C=C1/C=C(/C)[C@@H](C)C[C@H](O)CC(=O)[C@@H](O)[C@H](O)[C@@H](C)C[C@H](C)OC(=O)/C(C)=C\CCCC[C@H]2O[C@H]2C[C@H](C)C1 ZINC000255278613 KK Annotated Mild C=C1C=C(C)[C@@H](C)C[C@H](O)CC(=O)[C@@H](O)[C@H](O)[C@@H](C)C[C@H](C)OC(=O)C(C)=CCCCC[C@H]2O[C@H]2C[C@H](C)C1 ZINC000255278614 KK Annotated Mild C/C=C1\C[C@H]2C[C@H](c3ccc4c(c3)[C@@]35CCN6C[C@H]7O[C@H]7[C@@](CC)(CC[C@@H]3N4C)[C@H]65)c3[nH]c4ccccc4c3C[C@H]([C@@H]1C(=O)OC)N2C ZINC000255278878 KK Annotated Anodyne C[C@@H]1[C@@]2(CC[C@@](C)(CO)O2)O[C@H]2C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@]21O)C[C@@H]1CC[C@@H]2[C@H](C[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@H]23)O[C@@]2(CCC(C)(C)O2)[C@H]4C)[C@@]1(C)C7 ZINC000255278915 KK Annotated Anodyne C=C1[C@H]2C[C@H]3[C@@H](C(C)C)[C@H](OC(=O)C[C@](C)(O)C[C@@H](C)CC)C[C@]3(C)C[C@@H]2C(C)=CC[C@H]2[C@H](C)OC(=O)[C@@H](O)[C@@]12O ZINC000255278930 KK Annotated Mild CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255279134 KK Annotated Anodyne CC1=CCCC(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=C/[C@@]12O[C@]1(C)CCCC2(C)C ZINC000255279300 KK Annotated Bother CCC(C)(C)[C@@]1(C)CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000255279345 KK Annotated Anodyne C/C=C/[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000255279621 KK Annotated Mild CC[C@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](OC(=O)[C@H](O)[C@H](C)CC)C[C@H]1[C@@](C)(CO)OC(=O)C[C@H](OC(C)=O)[C@@]12C ZINC000255279689 KK Annotated Anodyne CO[C@](C)(CC(=O)C[C@@H](C)[C@]1(C)CC=C2C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(=O)O ZINC000255279780 KK Annotated Anodyne C[C@]12C[C@H](C3=C[C@@H]4O[C@H]3[C@]35C(=O)OC[C@]36CC[C@@]3(C)O[C@H](c7ccoc7)C[C@]3(C)[C@H]6C=C[C@H]45)OC(=O)[C@H]1CC[C@@]13COC(=O)[C@@H]1C=CC=C23 ZINC000255279843 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@H]4[C@@](C)(CO)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000255279877 KK Annotated Anodyne C=C[C@@H]1C=C(C)[C@H]2[C@H]3[C@H]1C(=O)[C@@H]1C[C@](OC)(Cc4ccc(cc4)O[C@@H]3[C@@H]3[C@@H](C)C[C@@H](C)C[C@@]23C)NC1=O 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C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](O)[C@](C)([C@H]4C[C@H](OC)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000255280025 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H](C)C[C@@H](O)[C@H](O)C(C)(C)O)[C@]12C ZINC000255280034 KK Annotated Anodyne CCCC[C@H](C)[C@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C\C(=O)O1 ZINC000255280079 KK Annotated Anodyne CCCC[C@H](C)[C@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCCC(C)=CC(=O)O1 ZINC000255280086 KK Annotated Anodyne CO[C@]12C[C@H](O[C@@H]3C[C@@]4(C)[C@@H]5CC=C6[C@@H](C=C(OC(C)=O)C(=O)C6(C)C)[C@]5(C)C(=O)C[C@]4(C)[C@@H]3[C@@H]1C)C(C)(C)O2 ZINC000255280113 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@@H]12 ZINC000255280142 KK Annotated Anodyne 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CC[C@H](C(=O)O)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(C=CC[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000255280808 KK Annotated Anodyne CCC[C@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000255280876 KK Annotated Anodyne CCC[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000255280879 KK Annotated Anodyne CCCCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1 ZINC000255280896 KK Annotated Anodyne CO[C@@H]1[C@H](O)[C@@H]2[C@@H]3[C@@H](C)C(C)=CC[C@]3(C(=O)O)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](Oc4ccc(O)cc4)CC[C@]3(C)[C@@H]12 ZINC000255280908 KK Annotated Anodyne CO[C@@H]1[C@H](O)[C@@H]2[C@@H]3[C@@H](C)C(C)=CC[C@]3(C(=O)O)CC[C@@]2(C)[C@]2(C)CC[C@@H]3C(C)(C)[C@@H](Oc4ccc(O)cc4)CC[C@]3(C)[C@@H]12 ZINC000255280910 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c5c([nH]c4cc3OC)[C@@]3(C(=O)OC)C[C@@H]4C[C@@H](CC)[C@H]3N(CC5)[C@H]4CC(C)=O)C[C@@H]1[C@H]2C(=O)OC ZINC000255280916 KK Annotated Anodyne CC(=O)O[C@H]1C[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]2[C@@H](OC(C)=O)[C@H]1NC(=O)c1ccccc1 ZINC000255280935 KK Annotated Anodyne C=C(C)[C@@H]1O[C@H]2CC[C@@]3(C)[C@](O)(CC[C@@H]4[C@@H]5OC(C)(C)[C@@H]6C[C@@H]7[C@@H](C)C(=O)c8ccc9c(c8[C@H]76)[C@@H]5[C@H](N9)[C@]43C)C2=C[C@H]1O ZINC000255280950 KK Annotated Mild CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@H]([C@H]5CO[C@@H](C(C)(C)O)[C@H](O)C5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000255280993 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@H]5CO[C@@H](C(C)(C)O)[C@H](O)C5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000255280994 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5CO[C@H](C(C)(C)O)[C@@H](O)C5)[C@]4(C)CC[C@H]3[C@@]12C ZINC000255280995 KK Annotated Anodyne CC1(C)OC[C@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)C=CC(=O)C(C)(C)[C@@H]4C[C@@H](OC(=O)Cc4ccccc4)[C@@]32C)C[C@@H](O)[C@@H]1O ZINC000255281023 KK Annotated Mild C=C(C)[C@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCCCCCCCCCC)C(C)(C)[C@@H]3CC[C@]12C ZINC000255281032 KK Annotated Mild C[C@H]1C[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(CO)[C@H]3[C@@H]2C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C8)OC1(C)C ZINC000255281136 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)C[C@]3(OC2=O)[C@@]2(C(C)=C[C@H](OC(=O)c4ccccc4)[C@@]13C)[C@@H](C)C[C@]1(C)[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C)C(=O)C=C[C@H]12 ZINC000255281141 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4[C@H]5OC(C)(C)[C@@H]6C[C@H]7C(=C)Cc8ccc9[nH]c(c5c9c8[C@H]76)[C@]43C)C2=C[C@H]1O ZINC000255281165 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000255281221 KK Annotated Bother CCCCCCCCCCCCCC(=O)O[C@H](C[C@H](C)O)CC(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=C1C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000255281312 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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](CC)C(C)C)C1 ZINC000255281478 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CC(C)(C)[C@]2(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](OC(C)=O)C[C@@]3(C)O)O[C@]2(C)C1 ZINC000255281512 KK Annotated Mild COc1ccc2c(c1C[C@H](C(C)=O)[C@@H]1C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@@H]1CO)N3C)c1c(n2C)[C@@H]2C[C@H]3C(C(C)=O)=COC[C@H]3[C@H](C1)N2C ZINC000255281523 KK Annotated Mild 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@@]12O[C@H]2[C@H]3OC(C)=O)C(C)C ZINC000255281547 KK Annotated Mild CN1CC[C@@]2([C@]34CCN(C)[C@H]3Nc3c([C@]56CCN(C)[C@H]5Nc5ccccc56)cccc34)c3cccc([C@]45CCN(C)[C@H]4Nc4ccccc45)c3N[C@@H]12 ZINC000255281555 KK Annotated Anodyne CO[C@H]1C[C@@H]2C=CC[C@H](C[C@@H](OC)[C@]3(CO3)[C@@H](OC)C[C@H](OC)[C@@H](C)[C@@H]([C@H](C)[C@H](OC(C)=O)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)OC(=O)/C=C/C(C)=C/[C@@H]1O)O2 ZINC000255281702 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@@H]5CCC(=C(C)C)OC5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000255281712 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C(\CC(=O)[C@@H](C[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CC[C@@H](O)[C@@]2(C)CO)C1=CCOC1=O)C(=O)OC ZINC000255281720 KK 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=C/C=C(C)/C=C/[C@H](O)C(C)(C)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C[C@H](O)C1=O ZINC000255281721 KK Annotated Mild C/C=C1/CN2[C@H]3C[C@@H]1C1=CC(=O)N4c5ccccc5[C@@]3(C[C@@H]2C2=C3C[C@@H]5N(C2=O)c2ccccc2[C@@]52CCN5C/C(=C/C)[C@@H]3C[C@H]52)[C@@H]4C1 ZINC000255281753 KK Annotated Anodyne 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=C(C)\C=C\[C@]1(O)C(C)(C)CCC[C@@]1(C)O ZINC000255281783 KK Annotated Bother C[C@]12CC[C@H](OC(=O)CCCCCCC(=O)O)C[C@@]1(O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255281808 KK Annotated Anodyne C[C@]12CC[C@H](OC(=O)CCCCCCC(=O)O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O ZINC000255281809 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H]([C@H]5CO[C@@H](C(C)(C)O)C(=O)C5)[C@]4(C)CC[C@@H]3[C@@]12C ZINC000255281830 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000255281834 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H](OC(=O)C=C(C)C)[C@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@H]4[C@@H]4CCOC4)[C@]3(C)[C@H](O)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255281839 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34CN5c6c(cccc6[C@@]36[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N6c1ccccc14)[C@]12[C@@H]5CC[C@]34CCCN(C[C@@H]1[C@@H]3C)[C@H]24 ZINC000255281859 KK Annotated Anodyne C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@@]3(C)[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@]43C)[C@@]12C ZINC000255281877 KK Annotated Anodyne CC(=O)NCCSC1=C2NC(=O)/C(C)=C\C=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O ZINC000255281878 KK Annotated Mild CC[C@H]1/C=C(\C)[C@@H](O)C/C=C/C=C(\C)C(=O)O[C@H](CC)C/C=C(C)/C=C(\C)[C@@H]1O[C@H]1OC(C)(C)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O ZINC000255281879 KK Annotated Anodyne C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@@H]5CC[C@]24C)[C@@H]3C1 ZINC000255281893 KK Annotated Mild C[C@H]1CC[C@H]2[C@@H](CC[C@H]3[C@]4(C)CC[C@@H]5[C@](C)(CC[C@@H]6[C@H]7CCCC(C)(C)[C@@H]7CC[C@@]56C)[C@H]4CC[C@]23C)C1 ZINC000255281897 KK Annotated Anodyne C=C(C)[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC ZINC000255281904 KK Annotated Mild C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC ZINC000255281905 KK Annotated Mild CO[C@H]1CC[C@H](O[C@H]2[C@H](C)[C@@](O)([C@H](C)C(=O)O)O[C@@H](C[C@@H]3C[C@@H](OC)[C@@H](C)[C@]4(O3)O[C@](C)([C@H]3CC[C@@H]([C@H]5CC[C@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)O5)O3)[C@H](OC)[C@H]4C)[C@H]2C)O[C@@H]1C ZINC000255281921 KK Annotated Anodyne CCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@@]2(CC[C@@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1 ZINC000255281925 KK Annotated Anodyne CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@@H](CC[C@@H]5[C@](C)(C(=O)O)[C@@H](O)[C@H](O)C[C@]45C(=O)O)[C@@]3(C)CC[C@]12C ZINC000255281940 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@H]4C[C@H](C(C)=O)[C@@H]3CN(C5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000255281964 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)C3=CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@@]3(C)[C@H](O)C[C@H]2/C1=C(\CCC=C(C)C)C(=O)O ZINC000255281968 KK Annotated Anodyne CC1=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]2[C@H](C)C[C@@H](O)CC2(C)C)C(C)(C)C=CC1 ZINC000255281974 KK Annotated Bother C/C(=C\[C@H](C)[C@@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@H](C)[C@@]4(O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C)C(=O)[C@H](C)C[C@H](C)C(=O)O ZINC000255281992 KK Annotated Mild CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000255282001 KK Annotated Anodyne C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(C)[C@H]([C@H](C)C[C@@]4(C)[C@H]5C(=C[C@H](C)[C@@H]34)[C@H]3[C@H](C)[C@H](O)CC[C@]3(C(=O)O)C[C@H]5C)C2(C)C)[C@H](O)[C@H](O)[C@H]1O ZINC000255282117 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5OC(O)(O)[C@H](C)C[C@@H]5C)C[C@@H]4C)C3)C[C@@H]2C)[C@@H]1C ZINC000255282134 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C(C)/C=C/C[C@H](O)CC(=O)/C=C/C=C(C)/C=C/[C@H](C)NC(=O)[C@H](C)C/C=C/C[C@H](O)Cc1ccc(O)cc1)[C@@H](C)C(=O)O ZINC000255282154 KK Annotated Mild C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000255282184 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCC(=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)CC[C@H](C)C(C)C)C1 ZINC000255282203 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](O)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255282216 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@@H](O)[C@]2(C)CC[C@@H](O2)[C@](C)(O)C[C@H]1O ZINC000255282219 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H](O)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255282223 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@](C)(O)[C@@H]3CC[C@@](C)(O3)[C@@H](O)CCC(C)=C[C@@H]12 ZINC000255282226 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@@H](O)[C@]2(C)CC[C@@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255282230 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@@H](O)[C@]2(C)CC[C@@H](O2)[C@@](C)(O)C[C@H]1O ZINC000255282234 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34C[C@H]5[C@@H]6C[C@H]7c8c(c9ccccc9n8C)C[C@@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C ZINC000255282240 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34C[C@H]5[C@@H]6C[C@@H]7c8c(c9ccccc9n8C)C[C@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C ZINC000255282245 KK Annotated Anodyne CCCCC[C@H](C[C@H]1CC[C@@H]([C@H](C)[C@@H]2OC(=O)[C@@H](C)[C@H]3CC[C@@H](C[C@@H](CCC)OC(=O)[C@@H](C)[C@H]4CC[C@H](O4)[C@H]2C)O3)O1)N(C)C ZINC000255282391 KK Annotated Anodyne C[C@@H]1CCCC(C)(C)[C@@]12CC[C@]1(C)[C@H](CC[C@]3(C)[C@H]4CC[C@]5(C)c6c([C@@H](O)C(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]5[C@]4(C)CC[C@@H]13)O2 ZINC000255282393 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/[C@H]4[C@H](C(C)(C)O)C[C@@H](O)[C@]4(C)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000255282590 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\[C@H]4[C@H](C(C)(C)O)C[C@@H](O)[C@]4(C)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000255282603 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@H]4CC[C@@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000255282609 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@H]4CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000255282610 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000255282631 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000255282632 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000255282633 KK Annotated Mild C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](OS(=O)(=O)O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4)[C@H](C)C(C)C ZINC000255282634 KK Annotated Reactive C=C(C)C[C@H](C[C@]1(C)OC(=O)[C@]23CCC4=C(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]2(C)CC[C@H]13)OC(C)=O ZINC000255282655 KK Annotated Mild CO[C@@H](C)[C@H]1C[C@H](C)[C@H]([C@@H](C)/C=C/[C@@H]2CC[C@@H](C)[C@H](/C(=C/[C@H]3CCC[C@@H](C)[C@@H]3[C@H](C)/C(O)=C3/C(=O)COC3=O)CO)O2)O1 ZINC000255282674 KK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000255282727 KK Annotated Anodyne CCC(/C=C/[C@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O ZINC000255282737 KK Annotated Anodyne C=C(C)C(=O)O[C@@H]1[C@@H](O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)OC)C(C)=CC[C@@H]2C1(C)C ZINC000255282890 KK Annotated Mild CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC(=O)[C@@](C)(OC(=O)[C@H](C)[C@H](C)O)CC[C@@H](C)C[C@H](O)[C@@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@@H]1O ZINC000255282902 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1/C=C/[C@@](C)(O)[C@@H]3CC[C@](C)(O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000255282913 KK Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](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)OC(C)=O ZINC000255282914 KK Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](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)OC(C)=O ZINC000255282915 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7[C@@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000255282916 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000255282917 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7[C@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000255282918 KK Annotated Anodyne CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc([C@@H]6C[C@H]7[C@@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000255282919 KK Annotated Anodyne CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@@]1(CC[C@@H](C)[C@@H](C(C)C)O1)C3 ZINC000255282933 KK Annotated Anodyne OC[C@H](COCCCCCC[C@H]1C[C@@H]2[C@H]3[C@@H]4[C@H]5CC[C@H]5[C@@H]4[C@H]3[C@H]12)OCCCCCCCC[C@H]1CC[C@@H]2[C@H](C1)[C@@H]1[C@H]2[C@H]2CC[C@H]21 ZINC000255282934 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H](CC(C)=O)CC(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(=O)C(C)(C)C[C@@H](CC(C)=O)OC(=O)CCCCCCCCCCC ZINC000255282971 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@@H]2CC=C(C)[C@@H](O)O2)[C@@]1(C)CC3 ZINC000255283393 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]12C)O3 ZINC000255283440 KK Annotated Mild C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]12C)O3 ZINC000255283443 KK Annotated Mild C=C(C)[C@H]1CC[C@H](C)[C@]23CC=C(C)[C@@]2(C1)Oc1c(cc2c(c1C)C=C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]12C)O3 ZINC000255283446 KK Annotated Mild C=C(C)[C@H]1CC[C@@H](C)[C@]23CC=C(C)[C@@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]12C)O3 ZINC000255283449 KK Annotated Mild CC(C)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@H]2CO[C@@H](C(C)(C)O)[C@H](O)C2)C1(C)C ZINC000255283465 KK Annotated Anodyne CC(C)[C@H](O)C[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000255283474 KK Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]3(C)[C@H]12 ZINC000255283552 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]3(C)[C@H]12 ZINC000255283555 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C ZINC000255283574 KK Annotated Anodyne CC(C)=CC[C@H](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)CC[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O ZINC000255283642 KK Annotated Bother COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@@H]1CC(C)=C1[C@@H](OC(C)=O)C[C@@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3CC/C(C)=C/[C@H]12 ZINC000255283658 KK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2CO[C@@H](O[C@H]3CC[C@]4(C)[C@H]5CC[C@H]6C(=CC[C@H]7C(C)(C)[C@@H](OC(C)=O)CC[C@]67C)C[C@]5(C)CC[C@H]4C3(C)C)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 ZINC000255284027 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@@H]2O[C@@]2(C)CC/C=C(\C)C[C@H]1O ZINC000255284038 KK Annotated Anodyne C=C1CC[C@@H](O)C2=NC[C@@H](C)[C@H](C)C[C@@]23CCC([C@H]2C=C(C)C(=O)O2)=C(C)[C@H]3/C=C(\C)[C@H](O)C[C@@H]2CC[C@]3(CC[C@]4(O[C@@H](CC[C@@H]4O)C1)O3)O2 ZINC000255284048 KK Annotated Mild C=C1C(=O)[C@@]23CC[C@H]4[C@@]5(CCC[C@@]4(C)C(=O)O5)[C@@]2(C)CC[C@]1(OC(=O)[C@@]1(O)C[C@@]24CC[C@H]5[C@@]6(CCC[C@@]5(C)C(=O)O6)[C@@]2(C)CC[C@@H]1C4)C3 ZINC000255284050 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1C(=O)[C@H]2[C@@H]3CC[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@]12O ZINC000255284058 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)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=O ZINC000255284068 KK Annotated Mild CC(=O)O[C@@H](C/C=C(/C)C(=O)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=O ZINC000255284069 KK Annotated Mild CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@H]2OC)C1(C)C ZINC000255284083 KK Annotated Anodyne CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2OC)C1(C)C ZINC000255284084 KK Annotated Anodyne C/C(=C\[C@@H]1OC(=O)[C@H]([C@@H]2CC[C@]34C[C@]23C=C[C@@H]2[C@@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]24C)[C@H]1O)CO ZINC000255284322 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5cc([C@H](C)[C@@H]6[C@@H](O)OC[C@H]7[C@@H]8Cc9c(n(C)c%10ccc(OC)cc9%10)[C@H](C[C@H]76)N8C)c(OC)cc5N(C)[C@H]3[C@@H]2C[C@@H]1[C@@H]4C(=O)OC ZINC000255284328 KK Annotated Anodyne CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@]34O[C@H]3C[C@H]3[C@H]5[C@H](CC[C@@]34C)[C@@]3(C)C=CC(=O)C=C3C[C@H]5OC(C)=O)C[C@@](C)(O1)C(C)(C)O2 ZINC000255284374 KK Annotated Mild CC(=O)OC[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CC[C@H](C)C(C)(C)[C@H]3C=C[C@]21C)OC(C)=O ZINC000255284382 KK Annotated Anodyne CC[C@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN([C@H]14)[C@H](c1ccc3c(c1)[C@@]14CCN5CC=C[C@]6(CC[C@@]1(N3)[C@H](C(=O)OC)C6)[C@H]54)[C@H]1O[C@H]12 ZINC000255284388 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C\N(C)C=O ZINC000255284405 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255284406 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000255284407 KK Annotated Anodyne CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C=C/[C@H](O)[C@@H](C)c1cc(O)c([C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000255284411 KK Annotated Anodyne CC(=O)O[C@H]1CC(C)=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C/[C@@H]2C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C1 ZINC000255284437 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(CO[C@@H]3N=C[C@]45CCC[C@@]3(C(=O)OC)[C@H]4CC[C@@H]3[C@H](C)c4ccoc4C[C@H]35)[C@H]3Cc4occc4[C@H](C)[C@@H]3CC[C@@H]12 ZINC000255284444 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3CCC(C)=C[C@@H]12 ZINC000255284448 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1[C@H](O[C@H]2O[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)C[C@@]2(C)[C@H](CC/C(=C/COC(C)=O)COC(C)=O)C(C)=CC[C@@H]2C1(C)C ZINC000255284484 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@@H]2OC2(C)C)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 ZINC000255284490 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)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 ZINC000255284491 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]([C@H]2OC2(C)C)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 ZINC000255284492 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H]([C@H]2OC2(C)C)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 ZINC000255284493 KK Annotated Anodyne CC(=O)O[C@H]1O[C@H]([C@H]2OC2(C)C)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 ZINC000255284494 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](O)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\C=C/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000255284525 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@H]2[C@H](C)[C@H](O)CC[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255284550 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@H]2[C@H](C)[C@H](O)CC[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000255284551 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H](C)[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](O)[C@]23C(=C[C@@H](OC(=O)CCC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000255284552 KK Annotated Anodyne C=C(C[C@H](O)[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255284557 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000255284558 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@H](C)[C@H]2CC[C@H](O2)[C@@H](C)[C@H]([C@H](C)[C@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)OC(=O)[C@@H](CC)[C@H]2CC[C@H](O2)[C@H]1C ZINC000255284590 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1=O ZINC000255284610 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@@H](C=C[C@@H]4[C@@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]ccc6Cl)[C@@H](C)O5)[C@@H](C)CC[C@H]42)C/C=C/C/C(C)=C/[C@@]3(C)C=C1C(=O)O ZINC000255284615 KK Annotated Mild in-vitro CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000255284643 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000255284644 KK Annotated Anodyne COC(=O)[C@H](C)[C@@H]1O[C@@H](C[C@@H]2C[C@@H](OC)[C@@H](C)[C@]3(O2)O[C@](C)([C@H]2CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](COC(C)=O)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O2)C[C@H]3C)CC[C@@H]1C ZINC000255284648 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@@H]4[C@]3(C)CC[C@@]2(C)[C@H]2CC(C)(C)CC[C@]12C ZINC000255284669 KK Annotated Anodyne C/C(=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)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255284706 KK Annotated Bother C/C(=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)[C@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000255284707 KK Annotated Bother CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000255284708 KK Annotated Bother in-vitro CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000255284709 KK Annotated Bother CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=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 ZINC000255284710 KK Annotated Bother CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=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 ZINC000255284711 KK Annotated Bother CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1)=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 ZINC000255284712 KK Annotated Bother CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=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 ZINC000255284713 KK Annotated Bother CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2[C@H](O)C[C@@]2(C)[C@H]3C(=O)C[C@@H]2[C@H](C)CC[C@@H](CC)[C@H](C)CO)C1 ZINC000255284720 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](O)C[C@]23C)[C@H]1C(C)(C)O ZINC000255284728 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CCCC(C)(C)[C@@H]4[C@@H](O)C[C@]23C)[C@H]1C(C)(C)O ZINC000255284729 KK Annotated Anodyne CC1=C(CC[C@@H](C)CO[C@@H]2O[C@H](COC(=O)CC(C)C)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000255284739 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(CO)=CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000255284744 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000255284752 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000255284753 KK Annotated Bother C/C=C/[C@@H]1OC(=O)c2coc(n2)/C=C\C=C\[C@H](O)[C@H](O)/C=C\C[C@@H](O)C(C)(C)[C@@H](/C=C/C)OC(=O)c2coc(n2)C[C@@H](OC)/C=C/C=C\C=C/C[C@@H](O)C1(C)C ZINC000255284765 KK Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C=C[C@]21C)OC(C)=O ZINC000255284791 KK Annotated Anodyne CC(=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)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255284806 KK Annotated Bother CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255284807 KK Annotated Bother CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000255284808 KK Annotated Bother CC(=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)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000255284809 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000255284810 KK Annotated Bother 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=C(C)/C=C\CC(C)(C)O ZINC000255284827 KK Annotated Bother CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)CC1=CC3 ZINC000255284829 KK Annotated Anodyne CO[C@@H](C[C@H]1OC(=O)C[C@@H](O)CCCC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC ZINC000255284839 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)[C@@]1(C)CC2 ZINC000255284856 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@H]1[C@H](/C=C\C=C\C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)=C[C@@H]2[C@@H]1C(C)(C)C[C@]2(C)O ZINC000255284860 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1[C@@H](/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)=C[C@@H]2[C@@H]1C(C)(C)C[C@]2(C)O ZINC000255284861 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1[C@@H](/C=C\C=C/C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)=C[C@@H]2[C@@H]1C(C)(C)C[C@]2(C)O ZINC000255284862 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1[C@@H](/C=C/C=C/C=C/[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C\C(=O)O)C(C)=C[C@@H]2[C@@H]1C(C)(C)C[C@]2(C)O ZINC000255284863 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1[C@@H](/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C/C(=O)O)C(C)=C[C@@H]2[C@@H]1C(C)(C)C[C@]2(C)O ZINC000255284864 KK Annotated Anodyne CO[C@@H](c1ccc(O)cc1)[C@@H]1[C@@H](/C=C/C=C/C=C\[C@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C\C(=O)O)C(C)=C[C@@H]2[C@@H]1C(C)(C)C[C@]2(C)O ZINC000255284865 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)O[C@@H]1O[C@H](COC(=O)CCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]1O ZINC000255284882 KK Annotated Bother C/C=C(\C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@]4(C)C(=CC(=O)[C@H]4c4ccoc4)[C@]3(C)[C@H](OC(=O)[C@H](C)CC)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255284902 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1C[C@H](O)[C@]2(C)[C@H]3C[C@@H](OC(C)=O)[C@]4(C)C(=CC(=O)[C@H]4c4ccoc4)[C@]3(C)[C@H](OC(=O)[C@H](C)CC)[C@@H]3OC[C@@]1(C)[C@H]32 ZINC000255284903 KK Annotated Mild C/C=C1/CN2CC[C@@]34C[C@H]5[C@@H]6C[C@H]7c8c(c9cc(OC)ccc9n8C)C[C@@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C ZINC000255284918 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34C[C@H]5[C@@H]6C[C@@H]7c8c(c9cc(OC)ccc9n8C)C[C@H]([C@@H]6CO[C@@]5(C)O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N7C ZINC000255284919 KK Annotated Anodyne C=C1[C@@H]2N3C[C@@H]4[C@H]5C[C@@H]6N(CC[C@@]67c6ccccc6N[C@@]47c4cccc(c43)[C@@]23CCN2C[C@@H](CC)[C@H]1C[C@H]23)C[C@H]5CC ZINC000255284927 KK Annotated Mild CC[C@H]1C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000255284954 KK Annotated Anodyne C/C=C1/CN2CC[C@]34c5ccccc5N5[C@H]([C@@H]6[C@H]7C[C@@H]8N(CC[C@@]89c8cccc(O)c8N(C(C)=O)[C@H]69)C/C7=C/C)OC[C@H]([C@H]53)[C@H]1C[C@H]24 ZINC000255285029 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34c5cccc(O)c5N(C(C)=O)[C@@H]3[C@H]([C@H]3OC[C@@H]5[C@H]6C[C@@H]7N(CC[C@@]78c7ccccc7N3[C@H]58)C/C6=C/C)[C@@H]1C[C@@H]24 ZINC000255285030 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]34C[C@]3(CC[C@@H]4[C@H](CO)[C@H]3OC(C)(C)C[C@@H]3O)[C@]12C ZINC000255285037 KK Annotated Anodyne CCO[C@@]1(C(C)(C)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](O)C(C)(C)[C@H]3CC[C@]21C ZINC000255285070 KK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)c2ccccc2)[C@@H](C)[C@@H]1CC3 ZINC000255285083 KK Annotated Anodyne CC(=O)OC[C@]12C[C@@H](OC(C)=O)[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@H]2[C@H](C)CCCC(C)C ZINC000255285091 KK Annotated Anodyne C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)CC(=O)OC[C@]4(C)CCC[C@]5(C)[C@@H]4CC[C@@]46C=C[C@@](C)(CC[C@@H]54)C6)[C@@H]3CC1)C2 ZINC000255285142 KK Annotated Anodyne C[C@]1(COC(=O)CC(=O)OC[C@@]2(C)CCC[C@@]3(C)[C@H]2CC[C@]24C=C[C@](C)(CC[C@@H]23)C4)CCC[C@@]2(C)[C@H]1CC[C@]13C=C[C@](C)(CC[C@@H]12)C3 ZINC000255285143 KK Annotated Anodyne C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)CC(=O)OC[C@]4(C)CCC[C@]5(C)[C@H]4CC[C@@]46C=C[C@@](C)(CC[C@H]54)C6)[C@H]3CC1)C2 ZINC000255285144 KK Annotated Anodyne CC(C)=CC[C@@H](/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=C(C)/C=C/[C@@H](CC=C(C)C)C(C)(C)O)C(C)(C)O ZINC000255285150 KK Annotated Bother C[C@H](CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)CO[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1O ZINC000255285170 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@](O)([C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C)[C@H](O)C[C@@H](C)[C@@H]1C[C@H]1C ZINC000255285184 KK Annotated Mild CC(=O)O[C@@H]1C=C([C@H]2O[C@@H]3O[C@H](O[C@H]4C5=C(C(=O)OC5)[C@@]5(C)CCCC(C)(C)[C@@H]5[C@@H]4OC(C)=O)C4=C[C@@H](OC(C)=O)[C@H]5C(C)(C)CCC[C@]5(C)[C@]43O2)[C@](O)(C=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000255285193 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O ZINC000255285203 KK Annotated Mild C=C1C[C@@H]2C/C=C/C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C/c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/C#N)[C@@H]3C ZINC000255285205 KK Annotated Reactive C=C1C[C@@H]2CC=CC(=O)O[C@H]3[C@@H](C)[C@@H](CC=Cc4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/C#N)[C@@H]3C ZINC000255285206 KK Annotated Reactive C=C1C[C@@H]2C/C=C\C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C/c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/C#N)[C@@H]3C ZINC000255285207 KK Annotated Reactive C=C(CC[C@@]1(OC)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)C[C@@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)C[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000255285240 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O)C(=C)CC[C@H]21 ZINC000255285254 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(COC(=O)CCC/C=C/CCCCCCCCC)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@@H](C)[C@H]2OC(C)=O ZINC000255285267 KK Annotated Mild CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255285339 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255285352 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255285353 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(=O)CC(C)C)C(C)(C)[C@@H]2C[C@@H](O)[C@]13C ZINC000255285354 KK Annotated Anodyne CO[C@H](C[C@H]1CC[C@@H](C)[C@@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@@H](C)/C=C(/C)[C@H](O)CO)[C@@H](C)C[C@H]2CC[C@H](O)[C@H](OC)C2)O1)/C(C)=C/C=C/C=C/[C@H](C)C[C@@H](C)C(C)=O ZINC000255285404 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5O[C@H](O)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000255285413 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000255285659 KK Annotated Anodyne in-vitro CO[C@@H]1C=C(C)C=C[C@@H](C)C=C(C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000255285663 KK Annotated Anodyne CO[C@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255285666 KK Annotated Anodyne CO[C@@H]1C=C(C)C=C[C@@H](C)C=C(C)C(=O)O[C@H](/C(C)=C/C=C(/C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)C=CC=C[C@H](OC)CCC=C(C)C=CC1 ZINC000255285667 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(/C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000255285668 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)cc4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000255285687 KK Annotated Anodyne C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@@H]2[C@H](C[C@@H]12)C(C)(C)O[C@H]5[C@@H]1CC[C@]2(O)[C@@](C)(CC[C@H]3O[C@H](C(=C)C)[C@@H](O)[C@@H]5O[C@@]532)[C@]41C ZINC000255285770 KK Annotated Mild COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(O)Oc7cc8c(c(C)c7O[C@@]56C)C(=O)C=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@H]7[C@]6(C)CC[C@]58C)[C@]4(C)CC[C@@]23C)CC1=O ZINC000255286161 KK Annotated Mild COc1cc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5C(=CC[C@H]6[C@@](C)(CO)[C@H](O)CC[C@]56C)C[C@]4(C)CC[C@H]3[C@@]2(C)C(=O)O)ccc1O ZINC000255286445 KK Annotated Anodyne CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2)=C\c1coc(C)n1 ZINC000255286452 KK 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](OC(=O)C(C)(C)N)CC[C@]5(C)[C@@H]3CC[C@@]21C(=O)O ZINC000255286466 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H]12 ZINC000255286498 KK Annotated Anodyne CC(C)=CC[C@@H](/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=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O ZINC000255286525 KK Annotated Bother in-vitro CC(C)=CC[C@H](/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=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O ZINC000255286526 KK Annotated Bother CC1(C)[C@@H](O[C@@H]2OC[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)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 ZINC000255286545 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O[C@H]6OC[C@H](OC(=O)/C=C/c7ccc(O)cc7)[C@H](O)[C@@H]6O)CC[C@]45C)CC3=CC[C@H]12 ZINC000255286546 KK Annotated Anodyne CC1(C)[C@@H](O[C@@H]2OC[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O)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 ZINC000255286547 KK Annotated Anodyne COC[C@@H](O)/C(C)=C\[C@@H](C)C(=O)C[C@H](OC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@@]1(O)O[C@H](C[C@@H](OC)/C(C)=C/C=C/C=C/[C@H](C)C[C@@H](C)C(C)=O)CC[C@H]1C)[C@H](C)C[C@@H]1CC[C@H](O)[C@@H](OC)C1 ZINC000255286589 KK Annotated Anodyne CC/C=C\[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@H](CC)CCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000255286595 KK Annotated Anodyne CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@H](CC)CCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000255286596 KK Annotated Anodyne C=C(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]13C ZINC000255286605 KK Annotated Mild CC[C@H]1C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000255286646 KK Annotated Anodyne CCCC[C@@]1(OC(=O)c2coc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000255286657 KK Annotated Anodyne COC(=O)/C=C/C[C@H](OC)[C@@H](C)[C@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c1coc(-c2coc(C(N)=O)n2)n1)OC(N)=O ZINC000255286665 KK Annotated Anodyne 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Cc1c2c(cc3c1C(=O)C=C1[C@@]4(C)CC[C@@]5(C)[C@H](O)C(=O)[C@H](C)C[C@@H]5[C@]4(C)CC[C@]13C)O[C@@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)[C@H](O)C(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@@]1(C)O2 ZINC000255287010 KK Annotated Mild CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)/C=C/[C@@H](C)[C@H]([C@H](C)[C@H](O)[C@@H](C)NC(C)=O)OC(=O)/C=C/C=C(C)\C=C\[C@]3(C)[C@@H]2C1 ZINC000255287017 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2C[C@]2(C)[C@H](C)C(C)C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@H](C[C@H]4O[C@]45C[C@@H](O)C[C@H](O)[C@]35C)[C@H]12 ZINC000255287033 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(=O)[C@@]5(C)Oc5cc6c(c(C)c5O)C(=O)C=C5[C@]6(C)CC[C@]6(C)[C@H]7C[C@](C)(C(=O)OC)CC[C@]7(C)CC[C@@]56C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000255287049 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)C(=O)[C@]5(C)Oc5cc6c(c(C)c5O)C(=O)C=C5[C@@]7(C)CC[C@@]8(C)CC[C@@](C)(C(=O)OC)C[C@H]8[C@]7(C)CC[C@]56C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 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C=C1CC[C@H]2C(C)(C)[C@H](O[C@H]3O[C@@H](CNC(C)=O)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000255287752 KK Annotated Mild C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000255287757 KK Annotated Mild C/C(C=C=C1C(C)(C)CC[C@H](O)[C@@]1(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 ZINC000255287758 KK Annotated Bother CSC(=O)CC(=O)O[C@H](C[C@]1(C)OC1(C)C)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3O ZINC000255287765 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H]1CC(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]2C(C)=C[C@H](OC(=O)CCCCCCCCCCCCC)CC2(C)C)C(C)(C)C1 ZINC000255287776 KK Annotated Mild CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@H]3[C@@H]4C=C5C(=O)[C@H](C)[C@@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)CCC[C@H](c6ccoc6)OC(=O)C[C@H]5[C@@H]4C=C(C)[C@@H]3C2)[C@H](OC)[C@@H]1OC 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COC1=C(C)[C@@]2(C)C[C@@H](OC(C)=O)[C@H]3[C@@](COC(C)=O)([C@@H](OC(C)=O)[C@H](C)[C@@]34C(C)=C[C@H](OC(=O)c3ccccc3)[C@@]3(C)[C@@H](OC(=O)c5ccccc5)[C@@H](OC(C)=O)[C@]5(C)C[C@@]34OC5=O)[C@H]2CC1=O ZINC000255287860 KK Annotated Mild CC(/C=C\C=C(/C)C=C=C1C(C)(C)C[C@@H](O)C[C@]1(C)O)=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 ZINC000255287881 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(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 ZINC000255287882 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(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 ZINC000255287883 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@@]1(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 ZINC000255287884 KK Annotated Bother C/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000255287885 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000255287886 KK Annotated Bother OC[C@H]1O[C@H](c2c(O)cc([C@H]3c4c(O)cc5c6c4[C@H]([C@@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@@H]6[C@@H](c4ccc(O)cc4)O5)[C@@H]3c3ccc(O)cc3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000255287893 KK Annotated Anodyne CC(=O)OC[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255287895 KK Annotated Anodyne CC(=O)OC[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@@H]3[C@H]4CC[C@@H]5C[C@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1[C@@H]2C ZINC000255287896 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[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 ZINC000255287902 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[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 ZINC000255287903 KK Annotated Mild CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@H](CO)[C@H](O)C[C@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000255287941 KK Annotated Anodyne CC(=O)O[C@H]1CC(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)/C=C/CC(C)(C)O)=C(C)C1=O ZINC000255287951 KK Annotated Mild CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)C(=O)C(C)C ZINC000255287969 KK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000255287978 KK Annotated Mild CC(=O)O[C@@H]1CC(C)=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@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C1 ZINC000255287999 KK Annotated Mild COC(=O)c1coc(/C=C/CC[C@@H](C)[C@H](C[C@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(C(N)=O)n2)n1 ZINC000255288025 KK Annotated Mild CC[C@H]1CN2CCc3c([nH]c4cc([C@H]5[C@@H]6CC[C@H](O)[C@H](C(=O)OC)[C@H]6C[C@@H]6c7[nH]c8cccc(O)c8c7CCN65)cc(O)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000255288037 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC(C(=O)O)=C[C@@H]3[C@@H]2O[C@]3(C[C@H]4CCC[C@@]5(CC[C@@]6(O[C@@H](CC[C@@]6(C)O)C1)O5)O4)C[C@@H](C)[C@@H](O)[C@H]2O3 ZINC000255288066 KK Annotated Mild in-vitro C=C1CCCC2=NC[C@@H](C)[C@H](C)C[C@@]23CCC(C(=O)O)=C[C@H]3[C@@H]2O[C@@]3(C[C@@H]4CCC[C@]5(CC[C@@]6(O[C@@H](CC[C@]6(C)O)C1)O5)O4)C[C@H](C)[C@@H](O)[C@@H]2O3 ZINC000255288067 KK Annotated Mild C/C=C1/C[N@@+]2(C)[C@H]3C[C@H]1[C@H](CO)[C@@H]2Cc1c3[nH]c2ccc(O)c(-c3c(O)ccc4[nH]c5c(c34)C[C@H]3[C@@H](CO)[C@@H]4C[C@@H]5[N@+]3(C)C/C4=C/C)c12 ZINC000255288084 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O ZINC000255288103 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O ZINC000255288104 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O[C@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O ZINC000255288105 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O ZINC000255288106 KK Annotated Bother CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(C)(C)O ZINC000255288107 KK Annotated Bother CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](O)[C@H](O)[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000255288153 KK Annotated Anodyne CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](O)[C@H](O)[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@H](C)C/C=C\C(C)(C)O)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000255288154 KK Annotated Anodyne Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@@H](I)[C@@]1(O)C(=O)O ZINC000255966323 KK Annotated Reactive in-vitro Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@H](I)[C@]1(O)C(=O)O ZINC000255966324 KK Annotated Reactive in-vitro Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@@H](I)[C@]1(O)C(=O)O ZINC000255966325 KK Annotated Reactive in-vitro Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)C1=CC(I)=C[C@H](I)[C@@]1(O)C(=O)O ZINC000255966326 KK Annotated Reactive in-vitro CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000255968182 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000255968183 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000255968184 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000255968185 KK Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)CC[C@]32C)[C@]1(C)CCC(=O)O ZINC000255969875 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)CC[C@@]32C)[C@@]1(C)CCC(=O)O ZINC000255969876 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000255969877 KK Annotated Mild in-man endogenous C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)CC[C@@]32C)[C@]1(C)CCC(=O)O ZINC000255969878 KK Annotated Mild in-man endogenous CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000255982010 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000255982011 KK Annotated Anodyne O=C1C[C@](O)(COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000255982162 KK Annotated Anodyne O=C1C[C@](O)(COCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000255982163 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@@H](C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=NO)[C@H]2O1 ZINC000255987257 KK Annotated Mild CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(COC(c1ccccc1)(c1ccccc1)c1ccccc1)=NO)O[C@H]2OCc1ccccc1 ZINC000255987258 KK Annotated Mild CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H](C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=NO)[C@H]2O1 ZINC000255987259 KK Annotated Mild CC1(C)O[C@H]2[C@H](C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=NO)O[C@@H](OCc3ccccc3)[C@H]2O1 ZINC000255987260 KK Annotated Mild CC(C)[C@H](C/C=C\C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000255989608 KK Annotated Anodyne CC(C)[C@H](C/C=C/C[C@H](C(=O)N1C(=O)OC[C@H]1Cc1ccccc1)C(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000255989609 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H]([C@@H](O)COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000255995721 KK Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2OCc1ccccc1 ZINC000255995722 KK Annotated Anodyne Nc1ccc2cc(S(=O)(=O)O)c(N=Nc3ccc(N=Nc4cc(C(=O)O)cc(C(=O)O)c4)c4ccccc34)c(O)c2c1 ZINC000255996244 KK Annotated Clean CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)[C@@H]2C[C@@H]3[C@@H]4C[C@H](O[C@@H]5C[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]4CC[C@H]3[C@H]2CC(=O)O1 ZINC000255999933 KK Annotated Anodyne CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)[C@@H]2C[C@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5C[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]43)[C@@H]2CC(=O)O1 ZINC000255999934 KK Annotated Anodyne CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)[C@@H]2C[C@H]3[C@H](CC[C@H]4C[C@@H](O[C@@H]5C[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]43)[C@H]2CC(=O)O1 ZINC000255999935 KK Annotated Anodyne CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)[C@@H]2C[C@@H]3[C@@H]4C[C@H](O[C@@H]5C[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]4CC[C@H]3[C@@H]2CC(=O)O1 ZINC000255999936 KK Annotated Anodyne CC1(C)O[C@H]2[C@H](O1)[C@H](C(=O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2OCc1ccccc1 ZINC000256001142 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@@H](C(=O)COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2O1 ZINC000256001143 KK Annotated Anodyne C[C@H](O[C@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000256005137 KK Annotated Mild C[C@H](O[C@@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000256005138 KK Annotated Mild O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3nc(Cl)nc(Cl)n3)ccc2c1O ZINC000256005508 KK Annotated Clean CO[C@H]1C[C@@H](O[C@@H]2C(C)=CC[C@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@@H]2C)[C@@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](NC(C)=O)[C@H](C)O1 ZINC000256009414 KK Annotated Anodyne CO[C@H]1C[C@@H](O[C@@H]2C(C)=CC[C@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@@H]2C)[C@@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@@H](NC(C)=O)[C@@H](C)O1 ZINC000256009416 KK Annotated Anodyne CO[C@H]1C[C@@H](O[C@@H]2C(C)=CC[C@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@@H]2C)[C@@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](NC(C)=O)[C@@H](C)O1 ZINC000256009417 KK Annotated Anodyne CO[C@H]1C[C@@H](O[C@@H]2C(C)=CC[C@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@H](C(C)C)O4)O3)OC(=O)[C@@H]3C=C(C)[C@H](O)[C@@H]4OCC(=CC=C[C@@H]2C)[C@@]43O)O[C@@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@@H](NC(C)=O)[C@H](C)O1 ZINC000256009418 KK Annotated Anodyne CC[C@@H]1O[C@@H]([C@]2(C)C[C@@H](C)[C@](O)([C@]3(C)CC[C@@H]([C@@H](O)[C@]4(O)O[C@H](C[C@@]5(O)O[C@@H]([C@@H](C)[C@H](O)C[C@@H]6O[C@H]([C@@H](C)C(=O)O)[C@@H](C)C[C@H]6C)CC[C@@H]5C)[C@@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O ZINC000256009962 KK Annotated Anodyne in-vitro CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000256015724 KK Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000256015725 KK Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000256015726 KK Annotated Reactive CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000256015727 KK Annotated Reactive CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=CC[C@]4(CC[C@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@H](C)C[C@@H]1C ZINC000256056316 KK Annotated Anodyne in-man endogenous CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=CC[C@]4(CC[C@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@H]1C ZINC000256056317 KK Annotated Anodyne in-man endogenous CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=CC[C@]4(CC[C@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@H](C)C[C@H]1C ZINC000256056318 KK Annotated Anodyne in-man endogenous CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=CC[C@]4(CC[C@](C)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C ZINC000256056319 KK Annotated Anodyne in-man endogenous C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[N@+]2(Cc3ccc4ccc(C[N@+]56CC[C@@H](C[C@@H]5[C@H](OCC=C)c5ccnc7ccccc57)[C@H](CC)C6)cc4c3)CC[C@H]1C[C@H]2CC ZINC000256069881 KK Annotated Mild C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[N@+]2(Cc3ccc4ccc(C[N@+]56CC[C@@H](C[C@@H]5[C@H](OCC=C)c5ccnc7ccccc57)[C@H](CC)C6)cc4c3)CC[C@H]1C[C@@H]2CC ZINC000256069882 KK Annotated Mild C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[N@+]2(Cc3ccc4ccc(C[N@+]56CC[C@@H](C[C@@H]5[C@H](OCC=C)c5ccnc7ccccc57)[C@@H](CC)C6)cc4c3)CC[C@H]1C[C@H]2CC ZINC000256069883 KK Annotated Mild C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[N@+]2(Cc3ccc4ccc(C[N@+]56CC[C@@H](C[C@@H]5[C@H](OCC=C)c5ccnc7ccccc57)[C@@H](CC)C6)cc4c3)CC[C@H]1C[C@@H]2CC ZINC000256069884 KK Annotated Mild CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H]([C@@H](N)COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000256069991 KK Annotated Anodyne CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@@H](N)COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2OCc1ccccc1 ZINC000256069994 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]1O[C@]2(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O2)CC[C@H]1C ZINC000256074718 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]1O[C@]2(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O2)CC[C@@H]1C ZINC000256074719 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]1O[C@]2(CCC[C@H](CC[C@H](C)/C=C(\C)[C@@H](C)O)O2)CC[C@@H]1C ZINC000256074720 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@@H]1O[C@]2(CCC[C@H](CC[C@H](C)/C=C(\C)[C@@H](C)O)O2)CC[C@H]1C ZINC000256074722 KK Annotated Anodyne CCCCCCCCCCOC(=O)[C@H](C)[C@H](OC)[C@H](C)[C@@H]1O[C@]2(CC[C@](C)([C@@H]3CC[C@](CC)([C@@H]4O[C@H]([C@@H]5O[C@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@@H](O)[C@H]1C ZINC000256087924 KK Annotated Mild CCCCCCCCCCOC(=O)[C@H](C)[C@H](OC)[C@H](C)[C@@H]1O[C@]2(CC[C@](C)([C@@H]3CC[C@](CC)([C@@H]4O[C@H]([C@@H]5O[C@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@@H]1C ZINC000256087927 KK Annotated Mild CCCCCCCCCCOC(=O)[C@H](C)[C@H](OC)[C@H](C)[C@@H]1O[C@]2(CC[C@](C)([C@@H]3CC[C@](CC)([C@@H]4O[C@H]([C@@H]5O[C@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@@H](O)[C@@H]1C ZINC000256087929 KK Annotated Mild CCCCCCCCCCOC(=O)[C@H](C)[C@H](OC)[C@H](C)[C@@H]1O[C@]2(CC[C@](C)([C@@H]3CC[C@](CC)([C@@H]4O[C@H]([C@@H]5O[C@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C ZINC000256087932 KK Annotated Mild CCCCOC(=O)CCC[C@@]1(c2ccccc2)[C@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@@]531 ZINC000256089401 KK Annotated Bother CCCCCCCCOC(=O)CCC[C@@]1(c2ccccc2)[C@]23C4=CC=C5c6ccc7c8ccc9c%10ccc%11c%12ccc4c4c2c2c%13c(c6c7c6c8c9c7c%10c%11c(c4%12)c2c7c%136)[C@@]531 ZINC000256122834 KK Annotated Mild c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@@H](CP(c3ccccc3)c3ccccc3)[C@@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000256168061 KK Annotated Reactive c1ccc(P(C[C@H]2C[C@@H](CP(c3ccccc3)c3ccccc3)[C@H](CP(c3ccccc3)c3ccccc3)[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000256168070 KK Annotated Reactive CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3cnc4c(OCc5ccccc5)nc5nccn5c43)C[C@H]2O[Si](C(C)C)(C(C)C)O1 ZINC000256170714 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)Oc1cc(N(CC)CC)ccc1/C=C\c1c2ccccc2nc2ccccc12 ZINC000256284902 KK Annotated Mild C[C@H]1[C@@]2(O)[C@H](C=C3[C@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(CC[C@@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000256297255 KK Annotated Anodyne C[C@@H]([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)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN ZINC000256312008 KK Annotated Anodyne in-vitro C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000256323411 KK Annotated Mild in-vitro O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(-c2ccc(N=Nc3ccc(-c4ccc(C(=O)Nc5cccc6c5C(=O)c5ccccc5C6=O)cc4)cc3)cc2)cc1 ZINC000256358265 KK Annotated Clean CO[C@@H]1C=C2[C@H](CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@@]3(C)[C@@H]12 ZINC000256379436 KK Annotated Anodyne in-man endogenous CO[C@@H]1C=C2[C@H](CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@@]3(C)[C@H]12 ZINC000256379445 KK Annotated Anodyne in-man endogenous CO[C@@H]1C=C2[C@H](CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@]3(C)[C@H]12 ZINC000256379452 KK Annotated Anodyne in-man endogenous CO[C@@H]1C=C2[C@H](CC[C@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H]([C@H](C)CCC=C(C)C)[C@H](O)C[C@]3(C)[C@@H]12 ZINC000256379457 KK Annotated Anodyne in-man endogenous O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@@H]2C[C@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 ZINC000256464224 KK Annotated Reactive O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@H]2C[C@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 ZINC000256464239 KK Annotated Reactive O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@H]2C[C@@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 ZINC000256464248 KK Annotated Reactive O[Si]1(O)N2[C@@H]3N[C@@H]4N[C@H](N[C@H]5[C@H]6C[C@H]7CCCC[C@H]7C[C@H]6[C@@H](N[C@@H]6N[C@H](N[C@@H]2[C@@H]2C[C@H]7CCCC[C@H]7C[C@@H]32)[C@@H]2C[C@@H]3CCCC[C@H]3C[C@@H]62)N51)[C@@H]1C[C@H]2CCCC[C@H]2C[C@@H]41 ZINC000256464257 KK Annotated Reactive C1C[C@@H]2S[C@H]3CC[C@@H]4S[C@@H]5CCC[C@@H]6S[C@@H]7CC[C@@H](C[C@@H]7OCCOCCOCCOCCOCCO[C@@H]4C3)S[C@H](C1)C2OCCOCCOCCOCCOCCOC65 ZINC000256600389 KK Annotated Anodyne C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000256640979 KK Annotated Mild world C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000256641119 KK Annotated Mild in-vitro C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000256641128 KK Annotated Mild world C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000256641139 KK Annotated Mild in-vitro C=C(C)C(=O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@@](C)(C(=O)O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257370991 KK Annotated Mild C=C(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@@](C)(C(=O)O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257370992 KK Annotated Mild C=C(C)C(=O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@@](C)(C(=O)O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257370993 KK Annotated Mild C=C(C)C(=O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4[C@@](C)(C(=O)O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257370994 KK Annotated Mild CC(C)C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000257372555 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)O2 ZINC000257373265 KK Annotated Mild in-man endogenous C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)O2 ZINC000257373266 KK Annotated Mild in-man endogenous C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)O2 ZINC000257373267 KK Annotated Mild in-man endogenous C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)O2 ZINC000257373268 KK Annotated Mild in-man endogenous CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]([C@H](C)CCC=C(C)C)CC[C@@]21C ZINC000257375611 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000257375612 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]([C@@H](C)CCC=C(C)C)CC[C@@]21C ZINC000257375613 KK Annotated Mild CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]([C@H](C)CCC=C(C)C)CC[C@]21C ZINC000257375614 KK Annotated Mild C=C(CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000257378096 KK Annotated Mild C=C(CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000257378097 KK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C ZINC000257378098 KK Annotated Mild C=C(CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C ZINC000257378099 KK Annotated Mild CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)C[C@H]3O ZINC000257380436 KK Annotated Anodyne CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@@]1(C)C[C@H]3O ZINC000257380437 KK Annotated Anodyne CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@@]1(C)C[C@@H]3O ZINC000257380438 KK Annotated Anodyne CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@@]13CO[C@]21CC[C@@H]2[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]2(C)[C@]1(C)C[C@@H]3O ZINC000257380439 KK Annotated Anodyne C=C1[C@H]2[C@@H](OC(C)=O)[C@@H]3CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)CC[C@H]1OC(=O)/C=C/c1ccccc1)C3(C)C ZINC000257383311 KK Annotated Mild C=C1[C@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000257383313 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)C[C@H](O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257384068 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257384069 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)C[C@H](O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257384070 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000257384071 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@@H]2C ZINC000257384297 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C ZINC000257384298 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000257384299 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@@H]2C ZINC000257384300 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)[C@H](C)C[C@H]1C ZINC000257391009 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)[C@@H](C)C[C@@H]1C ZINC000257391010 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)[C@H](C)C[C@@H]1C ZINC000257391011 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)[C@@H](C)C[C@H]1C ZINC000257391012 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C([C@H](CC(=O)O)c2ccccc2)C1(C)C ZINC000257392332 KK Annotated Mild CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H](C(=O)c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000257395001 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)CO[C@H]3[C@H]2[C@@]1(C)[C@@H](CC(=O)OC)[C@@]1(C)C2=C(C)[C@@H](c4ccoc4)C[C@H]2O[C@@H]31 ZINC000257395935 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)CO[C@@H]3[C@@H]4O[C@@H]5C[C@H](c6ccoc6)C(C)=C5[C@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000257395936 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC3 ZINC000257396067 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C3=C([C@@H](O)C[C@H]2C1(C)C)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC3 ZINC000257396068 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C3=C([C@@H](O)C[C@@H]2C1(C)C)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC3 ZINC000257396069 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@@]1(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC3 ZINC000257396070 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)C[C@]8(CC)CCCN9CC[C@]67[C@@H]98)=CC5=N[C@@]23CC[C@H]1[C@@H]4C(=O)OC ZINC000257396903 KK Annotated Mild C/C=C1/CN2CC[C@@]34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)C[C@]8(CC)CCCN9CC[C@]67[C@H]98)=CC5=N[C@@]23CC[C@H]1[C@@H]4C(=O)OC ZINC000257396905 KK Annotated Mild CC(=O)O[C@H](C[C@@H]1C=C(C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000257397146 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C=C(C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000257397147 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C=C(C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12COC(=O)C2 ZINC000257397148 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C=C(C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@@]12COC(=O)C2 ZINC000257397149 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000257402977 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@@H]2C ZINC000257402978 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C ZINC000257402979 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@@H]2C ZINC000257402980 KK Annotated Mild CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@H](O)C[C@]3(C)[C@H](C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2C[C@]1(C)C=O ZINC000257403972 KK Annotated Mild CNc1ccccc1C(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@@]1(C)C=O)[C@H]1C(=O)C[C@@H]3[C@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O ZINC000257403973 KK Annotated Mild CNc1ccccc1C(=O)O[C@@H]1C[C@@]2(C)[C@@H](C[C@]1(C)C=O)[C@H]1C(=O)C[C@@H]3[C@]4(C)CC[C@H](O)[C@](C)(CO)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O ZINC000257403974 KK Annotated Mild CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@H](O)C[C@]3(C)[C@H](C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]43C)[C@H]2C[C@@]1(C)C=O ZINC000257403975 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@@H](O)C#CC(=O)O ZINC000257405126 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000257405127 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@H](O)C#CC(=O)O ZINC000257405128 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC3 ZINC000257405600 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC3 ZINC000257405601 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC3 ZINC000257405602 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C([C@H](O)C[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC3 ZINC000257405603 KK Annotated Anodyne CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000257405903 KK 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=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000257405904 KK 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=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000257405905 KK 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=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000257405906 KK Annotated Bother CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000257406542 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000257406543 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000257406544 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3 ZINC000257406545 KK Annotated Anodyne in-vitro C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@]3(C[C@@H](C)CO3)O2)O1 ZINC000257407424 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@@]3(C[C@H](C)CO3)O2)O1 ZINC000257407425 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@@]3(C[C@@H](C)CO3)O2)O1 ZINC000257407426 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@]3(C[C@H](C)CO3)O2)O1 ZINC000257407427 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC2 ZINC000257407694 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC2 ZINC000257407695 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC2 ZINC000257407696 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC2 ZINC000257407697 KK Annotated Anodyne CC1=C[C@H](C2=C(C)[C@@H]3C=C(C)[C@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000257410667 KK Annotated Anodyne CC1=C[C@H](C2=C(C)[C@@H]3C=C(C)[C@H](O)CC[C@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@]43CC2)OC1=O ZINC000257410668 KK Annotated Anodyne CC1=C[C@H](C2=C(C)[C@@H]3C=C(C)[C@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@]43CC2)OC1=O ZINC000257410669 KK Annotated Anodyne CC1=C[C@H](C2=C(C)[C@@H]3C=C(C)[C@H](O)CC[C@H]4C[C@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000257410670 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2[C@@H](O)[C@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@@H]1O)C3 ZINC000257411455 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2[C@@H](O)[C@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@H]1O)C3 ZINC000257411456 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2[C@@H]1CC[C@]1(CS[C@]3(CC[C@@H]4[C@H](C)CC[C@H](c5ccoc5)N4[C@@H]3O)C1)[C@H]2O ZINC000257411457 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2[C@@H](O)[C@@]3(CC[C@H]12)C[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@@H]1O)CS3 ZINC000257411458 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)/C=C/C1 ZINC000257412502 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000257412503 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)/C=C/C1 ZINC000257412504 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](CO)NC=O)[C@@H](C)/C=C/C=C/[C@H](OC)CC/C=C(C)/C=C/C1 ZINC000257412505 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC3 ZINC000257414230 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC3 ZINC000257414231 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC3 ZINC000257414232 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC3 ZINC000257414233 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)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 ZINC000257419088 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)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 ZINC000257419089 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)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 ZINC000257419090 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)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 ZINC000257419091 KK Annotated Anodyne C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC(C)=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)[C@@H](C)C[C@H]1C ZINC000257420774 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC(C)=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@@H]3O2)[C@@H](C)C[C@@H]1C ZINC000257420775 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]3(O)C2=C[C@@H]1O)[C@H](O)[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000257421781 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)[C@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000257421782 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)[C@H](O)[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@H]1O ZINC000257421783 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]3(O)C2=C[C@H]1O)[C@H](O)[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000257421784 KK Annotated Mild C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)C3 ZINC000257422341 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@@H]1O)C3 ZINC000257422342 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)CS[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@H]1O)C3 ZINC000257422343 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H](O)[C@@]3(CC[C@H]12)C[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2C1)CS3 ZINC000257422344 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@H](O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]1(C)CC3 ZINC000257425113 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O ZINC000257425114 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3OC(C)=O ZINC000257425115 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@H](O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC3 ZINC000257425116 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)c(C4=C[C@@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000257425670 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)c(C4=C[C@@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000257425671 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@H]2C(C)(C)C1 ZINC000257425935 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@](C)(C=O)[C@@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@]21C ZINC000257428164 KK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@](C)(C=O)[C@@H](OC(=O)c4ccccc4)C[C@@]3(C)[C@@H](O)C[C@]21C ZINC000257428165 KK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@]21C ZINC000257428166 KK Annotated Mild CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@@]3(C)[C@@H](O)C[C@]21C ZINC000257428167 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]1(C)CC2 ZINC000257430594 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000257430595 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]1(C)CC2 ZINC000257430596 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](OC(C)=O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000257430597 KK Annotated Anodyne C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000257433031 KK Annotated Anodyne C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@H]3C2=O ZINC000257433032 KK Annotated Anodyne C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@H]3C2=O ZINC000257433033 KK Annotated Anodyne CC(/C=C\[C@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000257438851 KK Annotated Bother CC(/C=C\[C@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000257438852 KK Annotated Bother CC(/C=C\[C@]12O[C@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000257438853 KK Annotated Bother CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@H](C)[C@@](CC)(C[C@@H]2C)O3)C[C@H]1C ZINC000257439284 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@H](C)[C@@](CC)(C[C@@H]2C)O3)C[C@@H]1C ZINC000257439285 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@@H]1C ZINC000257439286 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@](O)(CC)[C@H](C)C[C@@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@H]1C ZINC000257439287 KK Annotated Anodyne C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]3(O)C2=C[C@@H]1O)C[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000257440002 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]3(O)C2=C[C@H]1O)C[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000257440003 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@H]1O ZINC000257440004 KK Annotated Mild C=C(C)[C@@H]1O[C@@H]2CC[C@]3(C)[C@](O)(CC[C@@H]4Cc5c([nH]c6cc7c(cc56)C[C@@H]5C7=CC(C)(C)OC5(C)C)[C@]43C)C2=C[C@@H]1O ZINC000257440005 KK Annotated Mild CC[C@@H]1CCCN(CCc2c([C@]3(C(=O)OC)CC[C@H](C(=O)OC)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000257440166 KK Annotated Anodyne CC[C@@H]1CCCN(CCc2c([C@]3(C(=O)OC)CC[C@@H](C(=O)OC)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000257440167 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000257443632 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@]1(C(=O)C(C)C)C3=O ZINC000257443633 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)O[C@@]2(O)[C@@]1(C(=O)C(C)C)C3=O ZINC000257443634 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000257443696 KK 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@@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000257443697 KK Annotated Bother CC(=O)OC[C@]1(O)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000257446298 KK Annotated Anodyne CC(=O)OC[C@]1(O)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000257446299 KK Annotated Anodyne CC(=O)OC[C@]1(O)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@@H](O)C1=CC(=O)O[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000257446300 KK Annotated Anodyne CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257448856 KK Annotated Anodyne CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257448857 KK Annotated Anodyne CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257448858 KK Annotated Anodyne CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257448859 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)CC[C@@H](O)C1(C)C ZINC000257451589 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@@H](O)C1(C)C ZINC000257451590 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)CC[C@H](O)C1(C)C ZINC000257451591 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)CC[C@H](O)C1(C)C ZINC000257451592 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@H](O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC3 ZINC000257451699 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]1(C)CC3 ZINC000257451700 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@H](O)C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC3 ZINC000257451701 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](OC(C)=O)C[C@H]2C1(C)C)[C@]1(C)[C@H](O)C[C@H]([C@@H](C)CC/C=C(/C)C(=O)O)[C@]1(C)CC3 ZINC000257451702 KK Annotated Anodyne CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)[C@H](O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000257452118 KK Annotated Anodyne C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@]1(C)O ZINC000257456651 KK Annotated Reactive C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]2CC[C@@]1(C)O ZINC000257456652 KK Annotated Reactive C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]2CC[C@]1(C)O ZINC000257456653 KK Annotated Reactive C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O ZINC000257456654 KK Annotated Reactive CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@]34O[C@]3(C)C[C@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000257456747 KK Annotated Mild CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000257456748 KK Annotated Mild CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000257456749 KK Annotated Mild CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@]34O[C@]3(C)C[C@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000257456750 KK Annotated Mild C[C@]1(C=O)C[C@@H]2[C@@H]3C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@H](O)[C@]2(C)C[C@@H]1OC(=O)c1ccccc1 ZINC000257457447 KK Annotated Mild C[C@]1(C=O)C[C@@H]2[C@@H]3C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@@H]1OC(=O)c1ccccc1 ZINC000257457448 KK Annotated Mild C[C@]1(C=O)C[C@@H]2[C@@H]3C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)C[C@H]1OC(=O)c1ccccc1 ZINC000257457449 KK Annotated Mild C[C@]1(C=O)C[C@@H]2[C@@H]3C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]4(C)[C@]3(C)C[C@H](O)[C@]2(C)C[C@H]1OC(=O)c1ccccc1 ZINC000257457450 KK 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@@H]1C=C2C(C)(C)C[C@@H](O)C[C@]2(C)O1 ZINC000257457494 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000257457495 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000257457496 KK Annotated Bother CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000257458885 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]12C ZINC000257458886 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)C(=O)CC[C@@]34C)[C@@]12C ZINC000257458887 KK Annotated Anodyne C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000257461775 KK Annotated Bother C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000257461776 KK Annotated Bother C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000257461777 KK Annotated Bother CC(=O)O[C@H]1C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@]12C ZINC000257466608 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@]12C ZINC000257466609 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]12C ZINC000257466610 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]12C ZINC000257466611 KK Annotated Anodyne CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000257468817 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000257468818 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000257468819 KK Annotated Bother CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000257468820 KK Annotated Bother CC(C)=CC[C@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000257469235 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@H](OO)C3)C1(C)C ZINC000257470752 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@H](OO)C3)C1(C)C ZINC000257470753 KK Annotated Reactive C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000257471729 KK Annotated Mild C=C1CC[C@H]2C(C)(C)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@]2(C)[C@@H]1CC[C@@H]1C(C)=CC[C@H](C(=C)C)[C@@]1(C)CCC(=O)O ZINC000257471730 KK Annotated Mild C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000257471731 KK Annotated Mild C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@@]23C)[C@]1(C)CCC(=O)O ZINC000257471732 KK Annotated Mild CC(=O)O[C@H](C[C@@]12[C@H]3[C@H](C(C)C)CC[C@@]1(C)[C@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@@]1(C)CO[C@@]2(C)CC[C@H]1O2 ZINC000257472027 KK Annotated Anodyne CC(=O)O[C@H](C[C@@]12[C@@H]3CCC[C@]34CC[C@H]3CN4[C@@H]1[C@H](C(C)C)CC[C@@]32C)C(=O)[C@]1(C)CO[C@@]2(C)CC[C@H]1O2 ZINC000257472028 KK Annotated Anodyne CC(=O)O[C@H](C[C@@]12[C@H]3[C@H](C(C)C)CC[C@@]1(C)[C@H]1CC[C@]4(CCC[C@@H]42)N3C1)C(=O)[C@]1(C)CO[C@@]2(C)CC[C@H]1O2 ZINC000257472029 KK Annotated Anodyne CC(=O)O[C@H](C[C@@]12[C@@H]3CCC[C@]34CC[C@H]3CN4[C@@H]1[C@H](C(C)C)CC[C@@]32C)C(=O)[C@@]1(C)CO[C@@]2(C)CC[C@H]1O2 ZINC000257472030 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]12C ZINC000257472192 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]12C ZINC000257472193 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@]12C ZINC000257472194 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C ZINC000257472195 KK 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=C\[C@@]23O[C@@H](CC2(C)C)C[C@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000257474649 KK 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=C\[C@@]23O[C@@H](CC2(C)C)C[C@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000257474650 KK Annotated Bother Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H]2c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O5)[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000257477015 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]2c3c5c(cc(O)c3[C@@H](c3ccc(O)cc3)[C@@H]42)O[C@@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)cc1 ZINC000257477016 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3cc(O)c4c(c3[C@@H]2c2cc(O)cc(O)c2)[C@H]2[C@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c3[C@H]2c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)[C@@H]4c2ccc(O)cc2)cc1 ZINC000257477017 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc4c(c3[C@H]3[C@@H]2c2cc(O)cc5c2[C@@H](c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)[C@H](c2ccc(O)cc2)O5)[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)cc1 ZINC000257477018 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000257477150 KK Annotated Anodyne CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](CC[C@@H]3/C(=C(/CCC=C(C)C)C(=O)O)[C@H](OC(C)=O)C[C@]32C)[C@]2(C)C=CC(=O)[C@H](C)[C@H]12 ZINC000257480981 KK Annotated Mild CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](CC[C@@H]3/C(=C(/CCC=C(C)C)C(=O)O)[C@H](OC(C)=O)C[C@]32C)[C@]2(C)C=CC(=O)[C@H](C)[C@H]12 ZINC000257480983 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@]1(C)CC2 ZINC000257482483 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@]1(C)CC2 ZINC000257482484 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)CC2 ZINC000257482485 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)CC2 ZINC000257482486 KK Annotated Mild C[C@@]12C=C3C(=C(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c43)[C@@H](c3ccc(O)cc3O1)[C@H]2O ZINC000257483003 KK Annotated Anodyne COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@H](O)c1cc(C)cc(O)c1O2 ZINC000257486037 KK Annotated Anodyne in-vitro COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@@H](O)c1cc(C)cc(O)c1O2 ZINC000257486038 KK Annotated Anodyne in-vitro COc1c([C@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@@H](O)c1cc(C)cc(O)c1O2 ZINC000257486039 KK Annotated Anodyne in-vitro C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@H]3C2=O ZINC000257486931 KK Annotated Anodyne C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000257486932 KK Annotated Anodyne O=C(/C=C\[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000257488509 KK Annotated Anodyne O=C(/C=C/[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000257488510 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C[C@H](C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@@]12COC(=O)C2 ZINC000257488805 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C[C@H](C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12COC(=O)C2 ZINC000257488806 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C[C@H](C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000257488807 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H]1C[C@H](C)C(=O)O1)[C@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@@]12COC(=O)C2 ZINC000257488808 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@@H](O)C[C@@]23C)C1(C)C ZINC000257490096 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000257490097 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@]23C)C1(C)C ZINC000257490098 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000257490099 KK Annotated Mild CCO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@@]1(C)CC2 ZINC000257490104 KK Annotated Anodyne CCO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)[C@]1(C)CC2 ZINC000257490105 KK Annotated Anodyne CCO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)[C@@]1(C)CC2 ZINC000257490106 KK Annotated Anodyne CCO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@]1(C)CC2 ZINC000257490107 KK Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCC[C@H](O)/C=C/CCCCCCCCCCCCC[C@@H](O)[C@H](O)C#CC(=O)O ZINC000257493089 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCC[C@H](O)/C=C/CCCCCCCCCCCCC[C@H](O)[C@@H](O)C#CC(=O)O ZINC000257493090 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCC[C@H](O)/C=C/CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000257493091 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@]23C)C1(C)C ZINC000257493632 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@@H](O)C[C@@]23C)C1(C)C ZINC000257493633 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000257493634 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000257493635 KK Annotated Mild CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@]3(O)C(C)(C)C[C@H](O)C[C@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000257493660 KK Annotated Mild CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@]3(O)C(C)(C)C[C@H](O)C[C@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000257493661 KK Annotated Mild CC[C@H]1C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000257493685 KK Annotated Anodyne CC[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000257493686 KK Annotated Anodyne CC[C@@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000257493687 KK Annotated Anodyne CC[C@@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O1 ZINC000257493688 KK Annotated Anodyne CC(=O)O[C@H](C[C@H](C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]2(C)CC1)[C@@H]1OC1(C)C ZINC000257494074 KK Annotated Anodyne CC(=O)O[C@H](C[C@H](C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000257494075 KK Annotated Anodyne CC(=O)O[C@H](C[C@H](C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@@]2(C)CC1)[C@@H]1OC1(C)C ZINC000257494076 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@@H]2C ZINC000257494169 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C ZINC000257494170 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000257494171 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@@H]2C ZINC000257494172 KK Annotated Mild Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@H]5c5ccc(O)cc5)[C@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000257495325 KK Annotated Anodyne Oc1ccc(-c2oc3cc(O)cc(/C=C/c4ccc(O)c([C@@H]5c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6[C@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3c2-c2ccc(O)cc2O)cc1 ZINC000257495326 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000257498576 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257498577 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000257498578 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000257498579 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000257499647 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@H]2C ZINC000257499648 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@]4(C)O)C1)O3)C[C@@H]2C ZINC000257499649 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2O[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@@H]2C ZINC000257499650 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)C[C@H](OC(C)=O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257500282 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257500283 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)C[C@H](OC(C)=O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257500284 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257500285 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 ZINC000257501568 KK 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=C/[C@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 ZINC000257501569 KK 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=C/[C@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000257501570 KK 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=C/[C@]23O[C@]2(C)C[C@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000257501571 KK Annotated Bother O=C(C1[C@H](c2ccccc2)C(C(=O)N2C=C([C@H]3CCCCN3)CCC2)[C@@H]1c1ccccc1)N1C=C([C@@H]2CCCCN2)CCC1 ZINC000257502265 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)CCCC2(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 ZINC000257504529 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)CCCC2(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 ZINC000257504530 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@]1(C)CCCC2(C)C ZINC000257504531 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@]1(C)CCCC2(C)C ZINC000257504532 KK Annotated Bother CC(=O)O[C@H]1C[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000257506783 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000257506784 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257506785 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257506786 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]23O)C[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@H]1C(C)(C)O ZINC000257511707 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000257511708 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]23O)C[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000257511709 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)C[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@H]1C(C)(C)O ZINC000257511710 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000257511731 KK Annotated Mild 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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C ZINC000257511867 KK Annotated Anodyne in-man endogenous 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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C ZINC000257511868 KK Annotated Anodyne in-man endogenous 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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C ZINC000257511869 KK Annotated Anodyne in-man endogenous 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@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C(C)(C)[C@@H]3CC[C@]12C ZINC000257511870 KK Annotated Anodyne in-man endogenous CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257511899 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257511900 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257511901 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257511902 KK Annotated Mild CC(=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)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000257513399 KK Annotated Mild CC(=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)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000257513400 KK Annotated Mild CC(=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)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000257513401 KK Annotated Mild CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@H]2[C@@]1(C)CC3 ZINC000257515264 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@H](O)C[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@H]2[C@@]1(C)CC3 ZINC000257515265 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@H]2[C@@]1(C)CC3 ZINC000257515266 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@@H](O)C[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@H]2[C@@]1(C)CC3 ZINC000257515267 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[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 ZINC000257517536 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[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 ZINC000257517537 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[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 ZINC000257517538 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[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 ZINC000257517539 KK Annotated Anodyne O=C(/C=C\[C@@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000257520704 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000257523917 KK 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=C/[C@@]23O[C@@H](CC2(C)C)C[C@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000257523918 KK 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=C/[C@@]23O[C@@H](CC2(C)C)C[C@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000257523919 KK Annotated Mild CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000257524185 KK Annotated Bother CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O ZINC000257524186 KK Annotated Bother CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000257524187 KK Annotated Bother CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000257524188 KK Annotated Bother C=C(C)CC[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000257528503 KK Annotated Mild C=C(C)CC[C@@H]1C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000257528504 KK Annotated Mild Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000257528628 KK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000257528629 KK Annotated Anodyne CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]34)[C@H]2CC(=O)O1 ZINC000257529458 KK Annotated Mild CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]34)[C@@H]2CC(=O)O1 ZINC000257529459 KK Annotated Mild CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000257529460 KK Annotated Mild CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C(C)[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]34)[C@H]2CC(=O)O1 ZINC000257529461 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@@]3(C[C@H](C)CO3)O2)O1 ZINC000257529679 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@]3(C[C@H](C)CO3)O2)O1 ZINC000257529680 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@@]3(C[C@@H](C)CO3)O2)O1 ZINC000257529681 KK Annotated Mild C=C(CCCC(=O)[C@]1(CC[C@H](C)CN)CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]1/C=C(\C)[C@H](O)CC)C[C@@H]1CC[C@](C)(O)[C@]2(CC[C@]3(C[C@@H](C)CO3)O2)O1 ZINC000257529682 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN[C@H]4C2)CCN1C ZINC000257529913 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN[C@H]4C2)CCN1C ZINC000257529914 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257530152 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@@H]1C)OC ZINC000257530153 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257530154 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@@H]1C)OC ZINC000257530155 KK Annotated Mild CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@@H]2C(C)(C)CCC[C@@]32C)cc2c1CC[C@@H]1C(C)(C)CCC[C@]21C ZINC000257530439 KK Annotated Anodyne CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@@H]2C(C)(C)CCC[C@@]32C)cc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000257530440 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]52)CC[C@]43C)C1(C)C ZINC000257531691 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]52)CC[C@@]43C)C1(C)C ZINC000257531692 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@@]34C)C1(C)C ZINC000257531693 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]24OC(=O)[C@@]5(CCC(C)(C)C[C@H]52)CC[C@]34C)C1(C)C ZINC000257531694 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@H]4O)C1)O3)O2 ZINC000257531807 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@H]4O)C1)O3)O2 ZINC000257531808 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@H]4O)C1)O3)O2 ZINC000257531809 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@H](C)C[C@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@H](O)C[C@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@H]4O)C1)O3)O2 ZINC000257531810 KK Annotated Mild Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000257532060 KK Annotated Anodyne Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000257532272 KK Annotated Anodyne Oc1ccc(-c2oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3c2-c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000257532273 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)[C@@H]12 ZINC000257532693 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000257532694 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)[C@H]12 ZINC000257532695 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@H]12 ZINC000257532697 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC(=O)[C@H]3[C@]2(C)CC[C@H]2[C@@H](C)[C@@H](O)CC[C@]23C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000257532726 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC(=O)[C@@H]3[C@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@]32C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000257532728 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257535848 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000257535849 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257535850 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000257535851 KK Annotated Mild CC(=O)O[C@H](C/C=C(\C)C(=O)O)[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000257537051 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)CC[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257537052 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)C(=O)O)[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]12C ZINC000257537053 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)CC[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257537054 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000257537131 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000257537132 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000257537133 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000257537134 KK Annotated Bother CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000257537749 KK Annotated Bother CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000257537750 KK Annotated Bother CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000257537751 KK Annotated Bother Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000257537810 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](CCC=C(C)C)CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@]1(C)CC3 ZINC000257538498 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](CCC=C(C)C)CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000257538499 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](CCC=C(C)C)CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@]1(C)CC3 ZINC000257538500 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](CCC=C(C)C)CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@]1(C)CC3 ZINC000257538501 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000257540429 KK Annotated Mild CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]23O)[C@H](O)[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@H]1C(C)(C)O ZINC000257541137 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)[C@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@@H]1C(C)(C)O ZINC000257541138 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@]3(C)[C@]2(O)CC[C@@H]2Cc4c([nH]c5cc6c(cc45)[C@H](O)[C@@H]4C6=CC(C)(C)OC4(C)C)[C@]23C)O[C@H]1C(C)(C)O ZINC000257541139 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@H]4CC[C@]23O)[C@H](O)[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000257541140 KK Annotated Anodyne CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]34)[C@H]2CC(=O)O1 ZINC000257545033 KK Annotated Mild CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000257545034 KK Annotated Mild CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@@H]3[C@H](C=C[C@@H]4C[C@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]34)[C@@H]2CC(=O)O1 ZINC000257545035 KK Annotated Mild CC[C@@H]1CCC[C@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)[C@H](C)C(=O)C2=C[C@H]3[C@H]4C[C@@H](O[C@@H]5O[C@H](C)[C@H](OC)[C@H](OC)[C@@H]5OC)C[C@H]4C=C[C@@H]3[C@H]2CC(=O)O1 ZINC000257545036 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]1(C)CC2 ZINC000257545412 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@]1(C)CC2 ZINC000257545413 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000257545414 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@H](O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000257545415 KK Annotated Anodyne CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@]3(C)[C@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000257546168 KK Annotated Mild CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@@]3(C)[C@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000257546169 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)C[C@H](O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257546381 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000257546382 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)C[C@H](O)[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000257546383 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)CC(=O)/C=C(/C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000257546384 KK Annotated Mild CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000257546706 KK Annotated Bother CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000257546707 KK Annotated Bother CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000257546708 KK Annotated Bother CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](C[C@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@](O)(CO)CC[C@@H]12 ZINC000257547463 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@](O)(CO)[C@@H](C[C@H](O)C4=CC(=O)O[C@@H]4OC(=O)/C=C/c4ccccc4)[C@@]3(C)CC[C@H]12 ZINC000257547464 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@](O)(CO)[C@@H](C[C@H](O)C4=CC(=O)O[C@@H]4OC(=O)/C=C/c4ccccc4)[C@@]3(C)CC[C@H]12 ZINC000257547465 KK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@H](C[C@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@@](O)(CO)CC[C@@H]12 ZINC000257547466 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@@]51C ZINC000257549021 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@@]2(C)[C@]51C ZINC000257549022 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@]51C ZINC000257549023 KK Annotated Anodyne CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@@]51C ZINC000257549024 KK Annotated Anodyne CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@@H](O)CC1(C)C ZINC000257549433 KK Annotated Mild CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000257549434 KK Annotated Mild CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000257549435 KK Annotated Mild CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000257549436 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@@H](O)C[C@@]23C)C1(C)C ZINC000257549580 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@]23C)C1(C)C ZINC000257549581 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000257549582 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@@H](O)C[C@]23C)C1(C)C ZINC000257549583 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@]1(C)CC2 ZINC000257551112 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000257551113 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@]1(C)CC2 ZINC000257551114 KK 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](OC(=O)CCCCCCCCCCCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556055 KK 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@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556056 KK 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@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556057 KK 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@@H](OC(=O)CCCCCCCCCCCCCCC)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000257556058 KK Annotated Mild CC/C=C/[C@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H](C)[C@H](C)CC[C@]3(C)CC[C@@]21C ZINC000257556923 KK Annotated Anodyne CC/C=C/[C@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H](C)[C@H](C)CC[C@@]3(C)CC[C@@]21C ZINC000257556924 KK Annotated Anodyne CC/C=C/[C@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C ZINC000257556925 KK Annotated Anodyne CC/C=C/[C@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H](C)[C@H](C)CC[C@@]3(C)CC[C@]21C ZINC000257556926 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@@H](C)[C@@H](O)C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000257561992 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@@H](C)[C@@H](O)C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](OC)[C@@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000257561993 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@@H](C)[C@@H](O)C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000257561994 KK Annotated Anodyne CO[C@H]1C/C=C/c2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](OC)[C@@H](C)[C@@H](O)C[C@@H](C)C[C@@H](OC(N)=O)CC(=O)O[C@@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](OC)[C@H](C)/C=C/N(C)C=O)[C@H]1C ZINC000257561995 KK 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@@H]1[C@@H](C(C)(C)O)CC[C@]1(C)O ZINC000257562088 KK Annotated Bother 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@@H]1[C@H](C(C)(C)O)CC[C@]1(C)O ZINC000257562089 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000257565358 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000257565359 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000257565360 KK Annotated Bother CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000257566121 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000257566122 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@]4(C)[C@@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000257566123 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000257566124 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000257567734 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)C[C@H](O)[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000257567735 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)C[C@H](O)[C@]4(C)C3=CC[C@@H]2C1(C)C ZINC000257567736 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@@H]2C1(C)C ZINC000257567737 KK Annotated Anodyne C=CCCCC[C@@H](C)CCCCCC#CCC[C@@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000257569245 KK Annotated Reactive C=CCCCC[C@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000257569248 KK Annotated Reactive CC1=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)[C@]2(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000257586800 KK Annotated Mild CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=C[C@H](OC(C)=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@@H]3O[C@H]53)C[C@@](C)(O1)C(C)(C)O2 ZINC000257589658 KK Annotated Anodyne CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=C[C@H](OC(C)=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@@H]3O[C@@H]53)C[C@@](C)(O1)C(C)(C)O2 ZINC000257589659 KK Annotated Anodyne CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=C[C@H](OC(C)=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@H]35)C[C@@](C)(O1)C(C)(C)O2 ZINC000257589660 KK Annotated Anodyne CC[C@@]12O[C@H]([C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C(=C[C@H](OC(C)=O)[C@]34C)[C@H](C)[C@]3(CCC(=O)O3)[C@H]3O[C@@H]35)C[C@@](C)(O1)C(C)(C)O2 ZINC000257589661 KK Annotated Anodyne CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000257591817 KK Annotated Bother CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O ZINC000257591818 KK Annotated Bother CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000257591819 KK Annotated Bother C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000257596016 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000257596017 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(C)O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C(O)=C\C(=O)[C@@]1(C)C[C@H](O)CC1(C)C ZINC000257596018 KK Annotated Mild C/C(=C\C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C)C(C)C ZINC000257599298 KK Annotated Anodyne C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@@H](O)C#CC(=O)O ZINC000257609749 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@@H](O)C#CC(=O)O ZINC000257609750 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@@H](O)[C@H](O)C#CC(=O)O ZINC000257609751 KK Annotated Mild Oc1ccc([C@@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000257617065 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3ccc(/C=C\c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000257617066 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5cc(/C=C/c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6)[C@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000257617067 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5cc(/C=C/c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6)[C@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000257617068 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5cc(/C=C\c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6)[C@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000257617069 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)cc([C@H]4c5cc(/C=C\c6cc(O)cc7c6[C@H](c6cc(O)cc(O)c6)[C@H](c6ccc(O)cc6)O7)ccc5O[C@H]4c4ccc(O)cc4)c3[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000257617070 KK Annotated Anodyne C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@@H]1C ZINC000257620243 KK Annotated Mild C=C(C[C@@]12C[C@H](C)C[C@@H](O1)[C@@H]1O[C@]3(C[C@@H]1O2)NC[C@H](C)C[C@@H]3C)[C@@H]1O[C@](O)([C@H](O)[C@@H]2C[C@@H]3O[C@]4(CC[C@]5(CC=C[C@H](/C=C/CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)CC[C@H]1C ZINC000257620244 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257620394 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](OC)[C@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257620395 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257620396 KK Annotated Mild CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](OC)[C@@H](C)/C=C/N(C)C=O)OC(=O)C[C@H](O)C/C=C/C(=O)[C@@H]1C ZINC000257620397 KK Annotated Mild COc1ccc(C(=O)OC[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@]4(C)[C@@H]3C2)[C@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@H]2CC5=O)cc1 ZINC000257621067 KK Annotated Mild COc1ccc(C(=O)OC[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@]4(C)[C@@H]3C2)[C@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@@H]2CC5=O)cc1 ZINC000257621068 KK Annotated Mild COc1ccc(C(=O)OC[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@]4(C)[C@@H]3C2)[C@]2(C)CC[C@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@H]2CC5=O)cc1 ZINC000257621069 KK Annotated Mild COc1ccc(C(=O)OC[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@]4(C)[C@@H]3C2)[C@]2(C)CC[C@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@@H]2CC5=O)cc1 ZINC000257621070 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257621115 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@@]12C ZINC000257621116 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000257621117 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]([C@H](C)[C@H](O)C/C=C(\C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000257621118 KK Annotated Anodyne CC[C@@H]1O[C@H]([C@]2(C)C[C@H](C)[C@](O)([C@]3(C)CC[C@H]([C@H](O)[C@]4(O)O[C@H](C[C@]5(O)O[C@H]([C@H](C)[C@H](O)C[C@@H]6CC[C@H](C)[C@H]([C@H](C)C(=O)O)O6)CC[C@@H]5C)[C@H](C)C[C@H]4C)O3)O2)CC[C@]1(C)O ZINC000257628752 KK Annotated Anodyne CC[C@@H]1O[C@H]([C@]2(C)C[C@H](C)[C@](O)([C@]3(C)CC[C@H]([C@H](O)[C@]4(O)O[C@H](C[C@]5(O)O[C@H]([C@H](C)[C@H](O)C[C@@H]6CC[C@H](C)[C@H]([C@H](C)C(=O)O)O6)CC[C@@H]5C)[C@H](C)C[C@@H]4C)O3)O2)CC[C@@]1(C)O ZINC000257628753 KK Annotated Anodyne CC[C@@H]1O[C@H]([C@]2(C)C[C@H](C)[C@](O)([C@]3(C)CC[C@H]([C@H](O)[C@]4(O)O[C@H](C[C@]5(O)O[C@H]([C@H](C)[C@H](O)C[C@@H]6CC[C@H](C)[C@H]([C@H](C)C(=O)O)O6)CC[C@@H]5C)[C@H](C)C[C@H]4C)O3)O2)CC[C@@]1(C)O ZINC000257628754 KK Annotated Anodyne CC[C@@H]1O[C@H]([C@]2(C)C[C@H](C)[C@](O)([C@]3(C)CC[C@H]([C@H](O)[C@]4(O)O[C@H](C[C@]5(O)O[C@H]([C@H](C)[C@H](O)C[C@@H]6CC[C@H](C)[C@H]([C@H](C)C(=O)O)O6)CC[C@@H]5C)[C@H](C)C[C@@H]4C)O3)O2)CC[C@]1(C)O ZINC000257628755 KK Annotated Anodyne C=C(C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)CC ZINC000257632309 KK Annotated Mild C=C(C)[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)CC ZINC000257632310 KK Annotated Mild C=C(C)[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)CC ZINC000257632311 KK Annotated Mild C=C(C)[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)CC ZINC000257632312 KK Annotated Mild CC1=C[C@@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@@](C)(C1)[C@H]23 ZINC000257633055 KK Annotated Anodyne CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257634178 KK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257634179 KK Annotated Anodyne CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257634180 KK Annotated Anodyne CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C ZINC000257634181 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@@]4(C)[C@H]5CC[C@@]6(C)c7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7C[C@H]6[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@H]12 ZINC000257634917 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@@]4(C)[C@H]5CC[C@@]6(C)c7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7C[C@H]6[C@@]5(C)CC[C@@H]4[C@@]3(C)CC[C@@H]12 ZINC000257634918 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@@]4(C)[C@H]5CC[C@@]6(C)c7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7C[C@H]6[C@@]5(C)CC[C@@H]4[C@]3(C)CC[C@H]12 ZINC000257634919 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@@]4(C)[C@H]5CC[C@@]6(C)c7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7C[C@H]6[C@@]5(C)CC[C@@H]4[C@]3(C)CC[C@@H]12 ZINC000257634920 KK Annotated Anodyne CC(=O)C[C@@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@]3(C)O)O1 ZINC000257647418 KK Annotated Mild CC(=O)C[C@@H]1C[C@H](C)[C@@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000257647422 KK Annotated Mild CC(=O)C[C@@H]1C[C@H](C)[C@@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@@H](CC2(C)C)C[C@]3(C)O)O1 ZINC000257647425 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@]12C ZINC000257649817 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@]12C ZINC000257649818 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@]12C ZINC000257649819 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](O)CC[C@]34C)[C@@]12C ZINC000257649820 KK Annotated Anodyne CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000257672088 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000257672091 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000257672095 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(NC(=O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2c(O)c(cc3c2SCC(=O)N3)NC(=O)C1 ZINC000257672098 KK Annotated Anodyne in-vitro C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000257684040 KK Annotated Bother C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000257684044 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=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 ZINC000257685800 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=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 ZINC000257685803 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=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 ZINC000257685806 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@@]12O[C@@H](CC1(C)C)C[C@]2(C)O)=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 ZINC000257685810 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000257689594 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000257689598 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000257689600 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000257689601 KK Annotated Bother in-vitro CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)CCCC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257692484 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)CCCC(=O)[C@@H]1C ZINC000257692485 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)CCCC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257692486 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)CCCC(=O)[C@@H]1C ZINC000257692487 KK Annotated Anodyne CO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@]1(C)CC2 ZINC000257693599 KK Annotated Anodyne CO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)[C@@]1(C)CC2 ZINC000257693600 KK Annotated Anodyne CO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@@](C)(O)CO)[C@]1(C)CC2 ZINC000257693601 KK Annotated Anodyne CO[C@@H]1C[C@@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)[C@](C)(O)CO)[C@@]1(C)CC2 ZINC000257693602 KK Annotated Anodyne O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@@]3(O)O4)O[C@]12O ZINC000257695303 KK Annotated Anodyne C=C(C)[C@H](C)CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000257754267 KK Annotated Mild C=C(C)[C@H](C)CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]1CC3 ZINC000257754268 KK Annotated Mild C=C(C)[C@H](C)CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]1CC3 ZINC000257754269 KK Annotated Mild C=C(C)[C@H](C)CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000257754270 KK 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=C/[C@]2(O)C(C)(C)C[C@H](O)C[C@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000257760491 KK Annotated Mild C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)C[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@@H]1O)CS3 ZINC000257761126 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H](O)[C@@]3(CC[C@H]12)CS[C@@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2C1)C3 ZINC000257761127 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)C[C@]1(CC[C@@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)CS3 ZINC000257761128 KK Annotated Anodyne C[C@@H]1CC[C@H](c2ccoc2)N2C[C@]3(CC[C@H]12)C[C@]1(CC[C@@H]2[C@H](C)CC[C@H](c4ccoc4)N2[C@H]1O)CS3 ZINC000257761129 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257761189 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C[C@H](O)CC(=O)[C@@H]1C ZINC000257761190 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000257761191 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C[C@H](O)CC(=O)[C@@H]1C ZINC000257761192 KK Annotated Anodyne C=C(C)CC[C@@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000257779658 KK Annotated Mild O=C([C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000257801418 KK Annotated Anodyne O=C([C@@H]1C=C[C@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000257801419 KK Annotated Anodyne O=C([C@@H]1C=C[C@H](c2ccc3c(c2)OCO3)[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000257801420 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000257804823 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000257804824 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000257804825 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000257804826 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NN(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000257808741 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000257822132 KK Annotated Anodyne COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCCOC(=O)CC(F)(F)C(=O)OCCC[N@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000257840137 KK Annotated Bother CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)C2=CC[C@H]([C@H](C)CC[C@]3(C(C)(C)O)CO3)[C@]21C ZINC000257847663 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)C2=C(CC[C@H]3C(C)(C)[C@@H](OS(=O)(=O)O)[C@H](OC(=O)CCCCCCCCCCCCCCCO)C[C@]23C)C2=CC[C@H]([C@H](C)CC[C@@]3(C(C)(C)O)CO3)[C@]21C ZINC000257847664 KK Annotated Anodyne CON(C)C[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000257874923 KK Annotated Anodyne C[C@@H](S[C@@H]1CO[C@@H](c2ccc3cc(C(=O)Nc4ccc(C#N)cc4)ccc3c2)OC1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000257980752 KK Annotated Mild C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32CO)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12C[C@@H](C)C(C)(C)O2 ZINC000257999694 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)O[C@H]2O[P@](=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c1cc(OC)c(OC)c2OC ZINC000258000406 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C[C@H](C)CC)cc2OC(=O)C[C@@H](C)CC)c(OC(=O)C[C@@H](C)CC)c1 ZINC000026002346 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C[C@@H](C)CC)cc2OC(=O)C[C@@H](C)CC)c(OC(=O)C[C@@H](C)CC)c1 ZINC000026002353 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1cc(OC(=O)C[C@H](C)CC)ccc1C(=O)c1ccc(OC(=O)C[C@H](C)CC)cc1OC(=O)C[C@@H](C)CC ZINC000026002359 KK Annotated Anodyne COc1cc(Br)c(Nc2nc(C)nc(-c3ccccc3C(F)(F)F)c2[N+](=O)[O-])c(OC)c1 ZINC000026004490 KK Annotated Bother CC(C)(C)C(=O)Oc1cc(C(=O)OCc2cc(=O)c(OC(=O)C(C)(C)C)co2)cc(OC(=O)C(C)(C)C)c1OC(=O)C(C)(C)C ZINC000026004692 KK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1c(Br)cc(N(C)C)cc1OC ZINC000026004973 KK Annotated Anodyne CCN(c1nc(C)cc(-c2ccccc2C(F)(F)F)n1)c1ccc(S(C)(=O)=O)cc1Br ZINC000026004981 KK Annotated Anodyne O=C(Nc1ccc(OCCCCCCCn2cnnn2)cc1)c1c(O)[nH]c2ccc(-c3cc4ccccc4s3)cc2c1=O ZINC000026005281 KK Annotated Anodyne CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2C(=O)OC(C)(C)C(Cl)(Cl)Cl)c1C ZINC000026005345 KK Annotated Anodyne CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2C(=O)OC(C)(C)C(Cl)(Cl)Cl)c1C ZINC000026005351 KK Annotated Anodyne COc1cc(Br)c(-n2c(C)nc3c(-c4ccccc4C(F)(F)F)nc(C)nc32)c(OC)c1 ZINC000026005469 KK Annotated Anodyne O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3ccc(-c4cc5ccccc5s4)cc3c2O)cc1 ZINC000026005574 KK Annotated Anodyne O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)[nH]c3ccc(-c4csc5ccccc45)cc3c2=O)cc1 ZINC000026005981 KK Annotated Anodyne CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)nc(-c3ccccc3C(F)(F)F)c12 ZINC000026006108 KK Annotated Anodyne O=C(O)CCCCCCCOc1ccc(NC(=O)c2c(O)nc3cc(-c4cc5ccccc5s4)ccc3c2O)cc1 ZINC000026006828 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026007426 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026007432 KK Annotated Anodyne CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCCC2 ZINC000026008722 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(F)cc2)[C@@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026009255 KK Annotated Anodyne O=C(O)CCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(F)cc2)[C@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026009262 KK Annotated Anodyne O=C(O)CCCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026009767 KK Annotated Anodyne O=C(O)CCCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026009774 KK Annotated Anodyne CCC#CC[C@H](C)[C@H](O)C#C[C@@H]1[C@@H]2C[C@@](c3ccc(-c4ccccc4)cc3)(CO2)[C@H]1C/C=C/CCCC(=O)O ZINC000026009814 KK Annotated Mild CCC#CC[C@H](C)[C@H](O)C#C[C@H]1[C@H](C/C=C/CCCC(=O)O)[C@@]2(c3ccc(-c4ccccc4)cc3)CO[C@@H]1C2 ZINC000026009822 KK Annotated Mild CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c(C)c1C ZINC000026010781 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2[C@@H]3C[C@@](c4ccc(-c5ccccc5)cc4)(CO3)[C@H]2CCCCCC(=O)O)cc1 ZINC000026011190 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2[C@H](CCCCCC(=O)O)[C@@]3(c4ccc(-c5ccccc5)cc4)CO[C@@H]2C3)cc1 ZINC000026011197 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3C(F)(F)F)o2)cc1-c1ccccc1C)C(=O)O ZINC000026011444 KK Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@@H]2C[C@@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026011765 KK Annotated Anodyne O=C(O)COCCCC[C@H]1[C@H](CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@]1(c1ccc(-c3ccccc3)cc1)CO2 ZINC000026011772 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(COCc2ccc(Br)o2)cc1-c1ccccc1C ZINC000026012167 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccncc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012175 KK Annotated Anodyne COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c3ccccc3C)c2)o1 ZINC000026012309 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3cccnc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012382 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012552 KK Annotated Bother CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012656 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C=O)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012819 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(C)=O)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012825 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccn3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026012996 KK Annotated Anodyne CCN(CC)CCN(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cn1c(SCc2ccc(F)cc2)nc(=O)c2c1CCC2 ZINC000026013166 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026013789 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(N(C)C)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026014666 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(SC)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026014673 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccccc3F)o2)cc1-c1ccccc1C)C(=O)O ZINC000026014732 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026015221 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(Cl)c(F)c3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026015281 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(C)C)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026016208 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(F)cc3)o2)cc1-c1ccccc1C)C(=O)O ZINC000026017245 KK Annotated Anodyne COC(=O)c1cc2cc(OC)c(OC)cc2c(-c2ccnc(-n3nc(-c4cccnc4)c4ccccc4c3=O)c2)c1C(=O)OC ZINC000026028843 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026143568 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026143576 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026143583 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026143590 KK Annotated Anodyne COC(=O)[C@H](COC(C)(C)C)N(C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026144031 KK Annotated Anodyne CN(CCCNc1nc2ccc(Cl)cc2n2cccc12)CCCNc1nc2ccc(Cl)cc2n2cccc12 ZINC000026144100 KK Annotated Anodyne COc1ccc(CCN2[C@H]3CC[C@@H]2[C@@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000026144771 KK Annotated Bother C[C@H](NC(=O)C[C@H](CC(=O)O)C(=O)O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000026145475 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1Br ZINC000026145568 KK Annotated Anodyne CC(=O)OCc1ccccc1N(C)C(=O)OC[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000026146155 KK Annotated Mild CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccccc1Br ZINC000026146902 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1cccc(Br)c1 ZINC000026146918 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Br)cc1 ZINC000026146934 KK Annotated Anodyne C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1c[n+](COC(=O)N(C)c2ccccc2)cn1)c1cc(F)ccc1F ZINC000026146971 KK Annotated Mild O=C(O)C[C@@H](C(=O)O)N(C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026147037 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](O/C=C/C(=O)c4ccccc4)[C@H]4OC(C)(C)O[C@H]43)c(Cl)c2c1 ZINC000026148471 KK Annotated Mild O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C/C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148853 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C/C[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148861 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCC/C=C/C[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148870 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCC/C=C/C[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026148878 KK Annotated Anodyne C[C@@H](NC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000026149748 KK Annotated Anodyne C[C@@H](NC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000026149951 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccco4)[C@@H](OC(=O)c4ccco4)[C@H]3OC(=O)c3ccco3)c(Cl)c2c1 ZINC000026150141 KK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc(/C=C/CN(C/C=C/c3cccc(Oc4ccc(C(C)(C)C)cc4)c3)[C@@H](CCC(=O)O)C(=O)O)c2)cc1 ZINC000026150607 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCCOC(=O)N1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026151316 KK Annotated Anodyne C[C@H]1CCCCCCCCCCCOC(=O)N1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026151323 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026151330 KK Annotated Anodyne C[C@H]1CCCCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026151338 KK Annotated Anodyne COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)NCCCc2ccccc2)O1)OC ZINC000026151561 KK Annotated Anodyne C=CCCCCCC[C@H](OC(=O)N(CCCCC=C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000026152260 KK Annotated Mild C=CCCCCCC[C@H](OC(=O)N(CCCCC=C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000026152267 KK Annotated Mild C=CCCCCCC[C@@H](OC(=O)N(CCCCC=C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000026152274 KK Annotated Mild C=CCCCCCC[C@@H](OC(=O)N(CCCCC=C)C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000026152281 KK Annotated Mild COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c(Cl)c2c1 ZINC000026152324 KK Annotated Anodyne COc1ccc2nc(NCCCN(C)CCCNc3nc4ccc(OC)cc4n4cccc34)c3cccn3c2c1 ZINC000026152486 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)c(Cl)c1 ZINC000026152739 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCOC(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026153080 KK Annotated Anodyne C[C@H]1CCCCCCCCCCOC(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026153087 KK Annotated Anodyne C[C@@H]1CCCCCCCCCCOC(=O)N(C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026153098 KK Annotated Anodyne C[C@H]1CCCCCCCCCCOC(=O)N(C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026153107 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153382 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153392 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153404 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026153413 KK Annotated Anodyne COc1ccc2c(c1)nc(NCCCN(C)CCCNc1nc3cc(OC)ccc3n3cccc13)c1cccn12 ZINC000026156614 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(OC)cc1 ZINC000026156775 KK Annotated Anodyne COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)NCc2ccccc2)O1)OC ZINC000026156986 KK Annotated Anodyne Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]cc(C)c32)cc1 ZINC000026157088 KK Annotated Reactive CCOC(=O)/C=C/C[C@@H]1CN(Sc2ccc([N+](=O)[O-])cc2)C[C@H](n2nc(C)c3c(Cl)c4cc(OC)ccc4nc32)O1 ZINC000026157446 KK Annotated Bother O=C(/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]c4ccccc4c32)cc1)N1C[C@@H](CCl)c2c1cc(O)c1[nH]c3ccccc3c21 ZINC000026157649 KK Annotated Reactive COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccc([N+](=O)[O-])cc4)C[C@@H](C/C=C/C(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026158126 KK Annotated Mild C[C@@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158748 KK Annotated Anodyne C[C@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158757 KK Annotated Anodyne C[C@@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158766 KK Annotated Anodyne C[C@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158779 KK Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026158788 KK Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026158797 KK Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026158803 KK Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000026158811 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158819 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158827 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158836 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000026158845 KK Annotated Anodyne O=C(O)CC[C@@H](C(=O)O)N(C/C=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C/C=C/c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000026159508 KK Annotated Anodyne Clc1ccc2nc(NCCCNCCCNc3nc4ccc(Cl)cc4n4cccc34)c3cccn3c2c1 ZINC000026160016 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3CN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C[C@@H](C/C=C/C(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026160217 KK Annotated Mild CC(C)[C@@H](OC(=O)C(C)(C)C)n1nnc(-c2ccccc2-c2ccc(Oc3c(C4CC4)nc4ccccc4c3C(=O)O)cc2)n1 ZINC000026160479 KK Annotated Anodyne CC(C)[C@H](OC(=O)C(C)(C)C)n1nnc(-c2ccccc2-c2ccc(Oc3c(C4CC4)nc4ccccc4c3C(=O)O)cc2)n1 ZINC000026160488 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H](COC(=O)c4ccccc4)O3)c(Cl)c2c1 ZINC000026160835 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccoc4)[C@@H](OC(=O)c4ccoc4)[C@H]3OC(=O)c3ccoc3)c(Cl)c2c1 ZINC000026161728 KK Annotated Anodyne O=S(=O)(O)c1cccc2ccc(OS(=O)(=O)c3cccc4c(S(=O)(=O)Oc5ccc6cccc(S(=O)(=O)O)c6c5)cccc34)cc12 ZINC000026161737 KK Annotated Anodyne CC(C)(C)c1cc2c(cc1SC1=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC1=O)CCCC2 ZINC000026163152 KK Annotated Mild CC(C)(C)c1cc2c(cc1SC1=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC1=O)CCCC2 ZINC000026163161 KK Annotated Mild COc1ccc2c(c1)nc(NCCCNCCCNc1nc3cc(OC)ccc3n3cccc13)c1cccn12 ZINC000026163532 KK Annotated Anodyne CC(=O)O[C@@H](CC[C@@H](OC(C)=O)[C@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1)[C@@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1 ZINC000026163597 KK Annotated Anodyne in-vitro biogenic COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c(Cl)c2c1 ZINC000026164407 KK Annotated Anodyne CC(=O)O[C@@H](CC[C@@H](O)[C@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1)[C@@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1 ZINC000026165097 KK Annotated Anodyne CN(CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)CCN(C)CCNC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000026165130 KK Annotated Anodyne O=C(O)CC[C@@H](C(=O)O)N(C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026167842 KK Annotated Anodyne COC(=O)[C@H](CCC(=O)OC(C)(C)C)N(C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000026167848 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)c(Cl)c2c1 ZINC000026168188 KK Annotated Anodyne CC(C)(C)c1ccc([C@@H](Oc2ccc(/C(O)=N/c3nnn[nH]3)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168529 KK Annotated Mild CC(C)(C)c1ccc([C@H](Oc2ccc(/C(O)=N/c3nnn[nH]3)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 ZINC000026168534 KK Annotated Mild COC(=O)[C@H](CCC(=O)O)N(C/C=C/c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C/C=C/c1cccc(Oc2ccc(Cl)c(Cl)c2)c1 ZINC000026168646 KK Annotated Anodyne CC(=O)Oc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(OC(C)=O)cc4n3C)n(C)c2c1 ZINC000026169112 KK Annotated Reactive CCc1nc(C2CC2)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026169310 KK Annotated Anodyne CC1(C)CC2(CC(C)(C)c3cc(I)c(O)cc32)c2cc(O)c(I)cc21 ZINC000026169443 KK Annotated Anodyne CC1(C)CC2(CC(C)(C)c3cc(Br)c(OS(=O)(=O)O)cc32)c2cc(OS(=O)(=O)O)c(Br)cc21 ZINC000026171982 KK Annotated Anodyne CCc1nc(C(C)C)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026172033 KK Annotated Anodyne CCOC(=O)COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2 ZINC000026172860 KK Annotated Anodyne CCOC(=O)COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2 ZINC000026172865 KK Annotated Anodyne Cc1c(/N=C(\N)c2ccccn2)ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)c(C)c3C)o2)c1C ZINC000026173300 KK Annotated Mild CCc1nc(CC(C)C)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026173362 KK Annotated Anodyne COc1ccc(-c2cccc(CNc3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1 ZINC000026174645 KK Annotated Anodyne COc1ccc(-c2cccc(CNc3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1 ZINC000026174650 KK Annotated Anodyne COc1cc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)c(OC)c3)o2)ccc1/N=C(\N)c1ccccn1 ZINC000026174814 KK Annotated Mild CC1(C)CC2(CC(C)(C)c3c(Br)c(O)c(O)c(Br)c32)c2c(Br)c(O)c(O)c(Br)c21 ZINC000026174858 KK Annotated Clean O=C(O)C[C@@H](NS(=O)(=O)c1cccc(-c2cccc(CNCc3nc4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000026176866 KK Annotated Anodyne O=C(O)C[C@H](NS(=O)(=O)c1cccc(-c2cccc(CNCc3nc4ccccc4[nH]3)c2)c1)c1ccccc1 ZINC000026176872 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)[nH]c2-c2ccc(C3=NO[C@H](C(=O)O)C3)cc2)cc1)NCCCc1ccccc1 ZINC000026177238 KK Annotated Clean O=C(/C=C/c1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)[nH]c2-c2ccc(C3=NO[C@@H](C(=O)O)C3)cc2)cc1)NCCCc1ccccc1 ZINC000026177245 KK Annotated Clean CC(C)CCCCCOP(=O)(COCCn1cnc2nc(N)nc(Cl)c21)OCCCCCC(C)C ZINC000026177849 KK Annotated Anodyne N/C(=N\c1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccccn4)c(Cl)c3)o2)cc1Cl)c1ccccn1 ZINC000026179073 KK Annotated Mild Nc1ncnc2nc(-c3ccc(N4CCC(=NOC5CCOCC5)CC4)nc3)cc(-c3cccc(Br)c3)c12 ZINC000026179420 KK Annotated Mild O=C(O)CC(CCCCCCCCCCC(CC(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000026180079 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)c(N(C)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000026180889 KK Annotated Anodyne CSc1cc(-c2ccc(-c3ccc(NC(=N)c4ccccn4)c(SC)c3)o2)ccc1NC(=N)c1ccccn1 ZINC000026181385 KK Annotated Anodyne CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)OCC ZINC000026183274 KK Annotated Reactive CC(=O)N[C@H](CCN(C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21)C(C)=O)c1ccc(F)cc1 ZINC000026184093 KK Annotated Anodyne CC(=O)N[C@H](CCN(C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21)C(C)=O)c1ccc(F)cc1 ZINC000026184097 KK Annotated Anodyne CC(=O)N[C@@H](CCN(C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21)C(C)=O)c1ccc(F)cc1 ZINC000026184102 KK Annotated Anodyne CC(=O)N[C@@H](CCN(C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21)C(C)=O)c1ccc(F)cc1 ZINC000026184107 KK Annotated Anodyne CC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCc1cccc(I)c1 ZINC000026187571 KK Annotated Anodyne CC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCc1cccc(I)c1 ZINC000026187576 KK Annotated Anodyne CCCCCC=C(c1cc(I)c(OC)c(C(=O)OC)c1)c1cc(I)c(OC)c(C(=O)OC)c1 ZINC000026188260 KK Annotated Anodyne CC1(C)CCc2c(c3ccccc3c3nc4cc(Nc5ccccc5)/c(=N/c5ccccc5)cc-4n(-c4ccccc4)c23)O1 ZINC000026189723 KK Annotated Bother CC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCc1cccc(I)c1 ZINC000026246900 KK Annotated Anodyne CC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCc1cccc(I)c1 ZINC000026246905 KK Annotated Anodyne CO[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000026248234 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000026248240 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000026248248 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000026248255 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000026248262 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OC ZINC000026249537 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OC ZINC000026249543 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OC ZINC000026249548 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OC ZINC000026249556 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@@H](O)COc3ccc4ccncc4c3)cc2)cc(C(C)(C)C)c1O ZINC000026249702 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@H](O)COc3ccc4ccncc4c3)cc2)cc(C(C)(C)C)c1O ZINC000026249710 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H]1C(=O)c1ccc2c(c1OC)OCO2 ZINC000026250851 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H]1C(=O)c1ccc2c(c1OC)OCO2 ZINC000026250858 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H]1C(=O)c1ccc2c(c1OC)OCO2 ZINC000026250866 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H]1C(=O)c1ccc2c(c1OC)OCO2 ZINC000026250870 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@@H](O)COc3ccc4cccnc4c3)cc2)cc(C(C)(C)C)c1O ZINC000026251531 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@H](O)COc3ccc4cccnc4c3)cc2)cc(C(C)(C)C)c1O ZINC000026251537 KK Annotated Anodyne COc1ccc([C@@](C#N)(CCCCCN2Cc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026251965 KK Annotated Reactive COc1ccc([C@](C#N)(CCCCCN2Cc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026251972 KK Annotated Reactive Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)cc1 ZINC000026251996 KK Annotated Bother CC(C)S[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1SC(C)C ZINC000026252515 KK Annotated Bother CC(C)S[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1SC(C)C ZINC000026252522 KK Annotated Bother CC(C)S[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1SC(C)C ZINC000026252536 KK Annotated Bother CCO[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OCC ZINC000026252543 KK Annotated Bother CCO[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OCC ZINC000026252549 KK Annotated Bother CCO[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OCC ZINC000026252559 KK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000026252861 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000026252868 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000026252874 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000026252881 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000026254256 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)O[C@@H](O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000026254262 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000026254266 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)O[C@@H](O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000026254273 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@@H](O)COc3cccc4ncccc34)cc2)cc(C(C)(C)C)c1O ZINC000026255519 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@H](O)COc3cccc4ncccc34)cc2)cc(C(C)(C)C)c1O ZINC000026255526 KK Annotated Anodyne CCOP(=O)(OCC)N1CCN=C1N/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(OCC)OCC)c2ccccc12 ZINC000026255661 KK Annotated Mild COc1c(C2([C@@H]3CC(=O)O[C@H]3O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)SCCCS2)ccc2c1OCO2 ZINC000026256437 KK Annotated Anodyne COc1c(C2([C@@H]3CC(=O)O[C@H]3O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)SCCCS2)ccc2c1OCO2 ZINC000026256443 KK Annotated Anodyne COc1c(C2([C@@H]3CC(=O)O[C@H]3O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)SCCCS2)ccc2c1OCO2 ZINC000026256449 KK Annotated Anodyne COc1c(C2([C@@H]3CC(=O)O[C@H]3O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)SCCCS2)ccc2c1OCO2 ZINC000026256455 KK Annotated Anodyne C/C(=C\C[C@@]1(C)C(=O)c2ccccc2C(=O)[C@@]1(O)CF)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000026256926 KK Annotated Clean C/C(=C\C[C@@]1(C)C(=O)c2ccccc2C(=O)[C@@]1(O)CF)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000026256933 KK Annotated Clean C/C(=C\C[C@@]1(C)C(=O)c2ccccc2C(=O)[C@@]1(O)CF)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000026256940 KK Annotated Clean C/C(=C\C[C@@]1(C)C(=O)c2ccccc2C(=O)[C@@]1(O)CF)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000026256948 KK Annotated Clean COc1cc2c(cc1O)CN(CCCCC[C@](C#N)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026256983 KK Annotated Mild COc1cc2c(cc1O)CN(CCCCC[C@@](C#N)(Sc1ccc(C)cc1)c1ccc(OC)c(OC)c1)C2 ZINC000026256991 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2Cl)c1)C(F)(F)F ZINC000026257449 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2Cl)c1)C(F)(F)F ZINC000026257456 KK Annotated Mild COc1ccc([C@@](C#N)(CCCN2CCc3cc(O)c(O)cc3[C@@H]2C)Sc2ccc(C)cc2)cc1OC ZINC000026258571 KK Annotated Mild COc1ccc([C@](C#N)(CCCN2CCc3cc(O)c(O)cc3[C@@H]2C)Sc2ccc(C)cc2)cc1OC ZINC000026258578 KK Annotated Mild COc1cc2c(cc1OCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026259115 KK Annotated Reactive CC(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026260501 KK Annotated Mild Cc1cc2nc(CSCCCSCc3nc4cc(C)c(C)cc4nc3-c3ccccc3)c(-c3ccccc3)nc2cc1C ZINC000026262360 KK Annotated Anodyne CCc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026263048 KK Annotated Mild CCc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026263054 KK Annotated Mild COc1ccc([C@@](C#N)(CCCCCN2Cc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026263112 KK Annotated Mild COc1ccc([C@](C#N)(CCCCCN2Cc3cc(OC)c(OC)cc3C2)SC2CCCCC2)cc1OC ZINC000026263118 KK Annotated Mild COc1ccc([C@@](C#N)(CCCCCN2Cc3cc(Cl)c(Cl)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263124 KK Annotated Mild COc1ccc([C@](C#N)(CCCCCN2Cc3cc(Cl)c(Cl)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026263130 KK Annotated Mild CCCN(C/C=C(\C)CCC=C(C)C)C(=O)[C@@H]1[C@H](C(=O)O)[C@@H](C(=O)O)[C@H]1C(=O)N(C/C=C(\C)CCC=C(C)C)CCC ZINC000026264325 KK Annotated Anodyne COc1cc2c(cc1OCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026264640 KK Annotated Reactive COc1cc2c(cc1OCCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026264868 KK Annotated Reactive Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1Cl ZINC000026265388 KK Annotated Mild Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)ccc1Cl ZINC000026265395 KK Annotated Mild COCCN(C)Cc1c(-c2ccc(OC)cc2)nc2n(Cc3ccccc3F)c(C)c(-c3ccc4c(c3)OCO4)c(=O)n12 ZINC000026265489 KK Annotated Anodyne COc1ccc(C(C)C)cc1/C(Br)=C/c1ccc(N2C[C@H](CNC(C)=O)OC2=O)cc1F ZINC000026265664 KK Annotated Anodyne Cc1cc(C)cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026265942 KK Annotated Mild Cc1cc(C)cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026265948 KK Annotated Mild CC(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026266385 KK Annotated Mild CC(C)c1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000026267419 KK Annotated Mild CC(C)c1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000026267425 KK Annotated Mild COc1cc2c(cc1OCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026267518 KK Annotated Reactive Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc(S(C)(=O)=O)cc4)o3)cc2C(=O)c2ccccc2)cc1 ZINC000026268628 KK Annotated Anodyne COc1ccc([C@@](C#N)(CCCCCN2CCc3cc(OC)c(OCCn4ccnc4)cc3C2)SC2CCCCC2)cc1OC ZINC000026268859 KK Annotated Mild COc1ccc([C@](C#N)(CCCCCN2CCc3cc(OC)c(OCCn4ccnc4)cc3C2)SC2CCCCC2)cc1OC ZINC000026268865 KK Annotated Mild CC[C@]12CCCn3c(C(=O)OCc4ccc(OC)c(OC)c4OC)cc(c31)-c1ccccc1NC(=O)CC2 ZINC000026268912 KK Annotated Anodyne O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(-c3ccccc3)cc2)c1)C(F)(F)F ZINC000026268951 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(-c3ccccc3)cc2)c1)C(F)(F)F ZINC000026268957 KK Annotated Mild COc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026269420 KK Annotated Mild COc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026269427 KK Annotated Mild COc1cc2c(cc1OCCCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)NC(=O)[C@@H]1CCCN1C2=O ZINC000026269943 KK Annotated Reactive CCc1cc(Oc2cccc(N(Cc3ccc(C(F)(F)F)cc3F)C[C@@H](O)C(F)(F)F)c2)ccc1Cl ZINC000026269982 KK Annotated Mild Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1C(C)C ZINC000026270074 KK Annotated Mild Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)ccc1C(C)C ZINC000026270081 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)[C@@H]4C[C@@H]4c4ccccc4)ccc3n(C)c12 ZINC000026270896 KK Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)[C@H]4C[C@@H]4c4ccccc4)ccc3n(C)c12 ZINC000026270902 KK Annotated Bother Cc1cc2nc(CSCCOCCSCc3nc4cc(C)c(C)cc4nc3-c3ccccc3)c(-c3ccccc3)nc2cc1C ZINC000026270960 KK Annotated Anodyne COc1cc2c(cc1OCCCCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026271346 KK Annotated Reactive O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)C(F)(F)F ZINC000026271942 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cc3ccccc3)cc2)c1)C(F)(F)F ZINC000026271948 KK Annotated Mild C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1)CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000026271954 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1)CCCN1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000026271962 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1)CCCN1C(=O)c2ccccc2[C@H]1c1ccccc1 ZINC000026271974 KK Annotated Bother COc1cc2c(cc1OCCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026271981 KK Annotated Reactive CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCc2ccccn2)cc1 ZINC000026272149 KK Annotated Anodyne O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3c(c2)CCCC3)c1)C(F)(F)F ZINC000026272264 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc3c(c2)CCCC3)c1)C(F)(F)F ZINC000026272271 KK Annotated Mild Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026272370 KK Annotated Anodyne Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026272376 KK Annotated Anodyne COc1cc2c(cc1OCCCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026272533 KK Annotated Reactive CCc1cc(Oc2cccc(N(Cc3cc(C(F)(F)F)ccc3F)C[C@@H](O)C(F)(F)F)c2)ccc1Cl ZINC000026272770 KK Annotated Mild Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000026272813 KK Annotated Anodyne Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000026272820 KK Annotated Anodyne CCC(CC)OC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(C)=O)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000026272849 KK Annotated Anodyne COc1cc2c(cc1OCCCCCC(=O)N1C[C@@H](C)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026272916 KK Annotated Anodyne COc1cc2c(cc1OCCCCCC(=O)N1C[C@H](C)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026272921 KK Annotated Anodyne CN(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026273224 KK Annotated Mild CN(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026273229 KK Annotated Mild COc1ccc([C@@](C#N)(CCCCCN2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026273474 KK Annotated Mild COc1ccc([C@](C#N)(CCCCCN2Cc3cc(OC)c(OC)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026273479 KK Annotated Mild CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)ccc1Cl ZINC000026273814 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F ZINC000026273856 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F ZINC000026273862 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)cc2)c1)C(F)(F)F ZINC000026273943 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)cc2)c1)C(F)(F)F ZINC000026273948 KK Annotated Mild CC(C)O[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OC(C)C ZINC000026273967 KK Annotated Bother CC(C)O[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OC(C)C ZINC000026273973 KK Annotated Bother CC(C)O[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OC(C)C ZINC000026273983 KK Annotated Bother Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026274844 KK Annotated Anodyne Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026274850 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2N2CC[C@@H]3C=CC=C[C@@H]3C2)cc1 ZINC000026275527 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2N2CC[C@H]3C=CC=C[C@@H]3C2)cc1 ZINC000026275533 KK Annotated Anodyne COc1ccc([C@@](C#N)(CCCCCN2Cc3cc(OC)c(OCCn4ccnc4)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026275973 KK Annotated Mild COc1ccc([C@](C#N)(CCCCCN2Cc3cc(OC)c(OCCn4ccnc4)cc3C2)Sc2ccc(C)cc2)cc1OC ZINC000026275979 KK Annotated Mild Cc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1C ZINC000026276096 KK Annotated Mild Cc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1C ZINC000026276103 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N(C)c4ccccc4)ccc3n(C)c12 ZINC000026276153 KK Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)OCCCC(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026276725 KK Annotated Bother O=[N+]([O-])c1ccccc1Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@H](O)C(F)(F)F)c1 ZINC000026276850 KK Annotated Mild O=[N+]([O-])c1ccccc1Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@@H](O)C(F)(F)F)c1 ZINC000026276857 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(F)(F)F ZINC000026277346 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(F)(F)F ZINC000026277352 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCC[C@@H]4CCSS4)ccc3n(C)c12 ZINC000026277566 KK Annotated Reactive Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCC[C@H]4CCSS4)ccc3n(C)c12 ZINC000026277572 KK Annotated Reactive O=[N+]([O-])c1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000026277854 KK Annotated Mild O=[N+]([O-])c1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000026277859 KK Annotated Mild CCCc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000026278013 KK Annotated Mild CCCc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000026278020 KK Annotated Mild CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCc2ccccn2)cc1 ZINC000026278520 KK Annotated Anodyne CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)cc1C ZINC000026278738 KK Annotated Mild CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)cc1C ZINC000026278745 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)NCCCC(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026279717 KK Annotated Bother CCc1cc(C)cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026279968 KK Annotated Mild CCc1cc(C)cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026279974 KK Annotated Mild CC(C)(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)c1 ZINC000026279980 KK Annotated Mild CC(C)(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)c1 ZINC000026279986 KK Annotated Mild CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1Cl ZINC000026279992 KK Annotated Anodyne CCN(Cc1cccc(OCc2cc(-c3cccs3)cs2)c1)c1ccc(C(=O)c2ccc(CCl)cc2)cc1 ZINC000026280022 KK Annotated Reactive Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1 ZINC000026282281 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1 ZINC000026282287 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026282819 KK Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026282825 KK Annotated Bother CCOC(=O)c1cn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000026282933 KK Annotated Anodyne CCOC(=O)c1cn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000026282939 KK Annotated Anodyne CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000026282945 KK Annotated Anodyne CCOC(=O)c1cn([C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000026282949 KK Annotated Anodyne CO[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@@H]1OC ZINC000026283209 KK Annotated Bother CO[C@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OC ZINC000026283215 KK Annotated Bother CO[C@@H]1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2[C@H]1OC ZINC000026283225 KK Annotated Bother CCCOc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000026283634 KK Annotated Mild CCCOc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000026283640 KK Annotated Mild CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)COC(C)=O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)COC(C)=O)CC1 ZINC000026284042 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)COC(C)=O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)COC(C)=O)CC1 ZINC000026284048 KK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)COC(C)=O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)COC(C)=O)CC1 ZINC000026284053 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)COC(C)=O)c2c(c1)OC(C)(C)C1=C2CN(C(=O)COC(C)=O)CC1 ZINC000026284059 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)Cc2ccco2)cc1 ZINC000026284327 KK Annotated Anodyne CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)cc1C ZINC000026284690 KK Annotated Mild CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)cc1C ZINC000026284697 KK Annotated Mild CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000026285111 KK Annotated Mild CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000026285117 KK Annotated Mild Cc1cc(NC(=O)N(C)C(=O)c2ccccc2NC(=O)N(C)C(=O)c2ccccc2N)ccc1Oc1ncc(Br)cn1 ZINC000026285857 KK Annotated Anodyne CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccc(O)cc3)(c3ccccc3)CC2=O)cc1C ZINC000026285925 KK Annotated Mild CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(C(=O)OC(c2ccccc2)c2ccccc2)O[C@H]1c1n[nH]c(Cc2ccccc2)n1 ZINC000026286200 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CC#N)cc1 ZINC000026287043 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)ccc3n(C)c12 ZINC000026287901 KK Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@@H]4C[C@@H]4c4ccccc4)ccc3n(C)c12 ZINC000026289124 KK Annotated Bother Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC[C@H]4C[C@@H]4c4ccccc4)ccc3n(C)c12 ZINC000026289129 KK Annotated Bother CNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000026289234 KK Annotated Mild CNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000026289239 KK Annotated Mild CCCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)cc1C ZINC000026289244 KK Annotated Mild CCCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)cc1C ZINC000026289249 KK Annotated Mild COC(=O)c1c(-c2cc(OC)c(C)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026290039 KK Annotated Clean Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCOCC1 ZINC000026290511 KK Annotated Mild CCCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000026290524 KK Annotated Mild CCCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000026290530 KK Annotated Mild Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCCC(=O)OCc4ccccc4)ccc3n(C)c12 ZINC000026290745 KK Annotated Bother COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3cccnc3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026290996 KK Annotated Clean COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CCNCC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026291019 KK Annotated Anodyne COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCSCC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026291435 KK Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C(SC/C=C(\C)CC/C=C(/C)CCC=C(C)C)=C1c1ccc(OC)cc1 ZINC000026291637 KK Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3n(C)c12 ZINC000026291892 KK Annotated Bother CCN(CC)C1=NS(=O)(=O)C([C@@H]2CC(c3c(C)c(Cl)c(C)c(Cl)c3C)=NO2)=C1c1ccc(OC)cc1 ZINC000026291940 KK Annotated Anodyne CCN(CC)C1=NS(=O)(=O)C([C@H]2CC(c3c(C)c(Cl)c(C)c(Cl)c3C)=NO2)=C1c1ccc(OC)cc1 ZINC000026291945 KK Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026292634 KK Annotated Clean CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)C1 ZINC000026292916 KK Annotated Bother CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)O2)C1 ZINC000026292921 KK Annotated Bother CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)O2)C1 ZINC000026292925 KK Annotated Bother CC(=O)[C@@H]1Cc2c(c(O)cc3c(=O)c4ccccc4oc23)[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)O2)C1 ZINC000026292930 KK Annotated Bother COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C2CC2)nc1OCCOC(=O)Nc1ccccn1 ZINC000026293084 KK Annotated Anodyne CCCn1nc([C@@H]2OC(C(=O)OC(c3ccccc3)c3ccccc3)=C[C@H](NC(=O)OC(C)(C)C)[C@H]2NC(C)=O)nc1Cc1ccccc1 ZINC000026293187 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N(C)C ZINC000026293534 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N(C)C ZINC000026293539 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1 ZINC000026294033 KK Annotated Mild CCCn1nc(Cc2ccccc2)nc1[C@@H]1OC(C(=O)OC(c2ccccc2)c2ccccc2)=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O ZINC000026294400 KK Annotated Anodyne Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OP(=O)(OCc4ccccc4)OCc4ccccc4)ccc3n(C)c12 ZINC000026296676 KK Annotated Bother COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026375482 KK Annotated Clean COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1 ZINC000026375488 KK Annotated Clean N=C(N)N(CCCCCCNCC12CC3CC(CC(C3)C1)C2)CCSSCCN(CCCCCCNCC12CC3CC(CC(C3)C1)C2)C(=N)N ZINC000026376037 KK Annotated Reactive Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N(C)C ZINC000026376511 KK Annotated Mild CCCCS(=O)(=O)/N=C(\O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000026377375 KK Annotated Mild CCCCS(=O)(=O)/N=C(\O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc(-c2ccno2)cc1)N(C)C(=O)c1cc(C)cc(C)c1 ZINC000026377377 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3cnc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026377756 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3cnc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026377758 KK Annotated Reactive N=C(N)N(CCCCCCNCc1ccc2ccccc2c1)CCSSCCN(CCCCCCNCc1ccc2ccccc2c1)C(=N)N ZINC000026378008 KK Annotated Reactive CCO/C(O)=C1\C([C@@H](C)S(=O)(=O)c2ccccc2)=NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026378192 KK Annotated Mild CCO/C(O)=C1\C([C@@H](C)S(=O)(=O)c2ccccc2)=NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000026378194 KK Annotated Mild CCO/C(O)=C1\C([C@H](C)S(=O)(=O)c2ccccc2)=NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026378196 KK Annotated Mild CCO/C(O)=C1\C([C@H](C)S(=O)(=O)c2ccccc2)=NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000026378197 KK Annotated Mild CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)N(C)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026378199 KK Annotated Mild CCOC(=O)C1=C(CS(=O)(=O)c2ccccc2)N(C)C2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000026378201 KK Annotated Mild Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCCCCC[n+]1c(N)n(Cc2ccccc2)c2ccccc21 ZINC000026378302 KK Annotated Anodyne Nc1cc2c(n[n+]1CCCCCCCCCCCC[n+]1nc3c(cc1N)-c1ccccc1CC3)CCc1ccccc1-2 ZINC000026380047 KK Annotated Anodyne O=P(OCCN[P@]1(=O)OCCCN1CCCl)(OCc1ccccc1)OCc1ccccc1 ZINC000026381265 KK Annotated Reactive Nc1cc(-c2ccccc2)cc[n+]1CCCCCCCCCCCC[n+]1cc(-c2ccccc2)ccc1N ZINC000026382978 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3c[nH]c4ccccc34)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026383648 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3c[nH]c4ccccc34)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026383651 KK Annotated Mild CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026384002 KK Annotated Anodyne CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000026384006 KK Annotated Anodyne CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OC[C@@H]4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 ZINC000026385397 KK Annotated Clean CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OC[C@H]4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 ZINC000026385401 KK Annotated Clean N=C(N)c1ccc([C@@H](NC(=O)/C=C/c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385822 KK Annotated Anodyne N=C(N)c1ccc([C@H](NC(=O)/C=C/c2ccco2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026385826 KK Annotated Anodyne CC(C)(C)OC(=O)/N=C(\N=C(/O)OC(C)(C)C)Nc1ccc(S(=O)(=O)c2ccc(N/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)cc1 ZINC000026386254 KK Annotated Mild CC(C)(C)OC(=O)/N=C(/C=C(/O)OC(C)(C)C)Nc1ccc(Nc2ccc(NC(=N\C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)cc2)cc1 ZINC000026386257 KK Annotated Mild CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000026387104 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000026387107 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000026387111 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000026387115 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C1=Nc1ccc(Cc2ccc(N=C3N(C(=O)OC(C)(C)C)CCN3C(=O)OC(C)(C)C)cc2)cc1 ZINC000026387342 KK Annotated Mild N=C(N)c1ccc([C@@H](NC(=O)/C=C/c2cccs2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026387764 KK Annotated Anodyne N=C(N)c1ccc([C@H](NC(=O)/C=C/c2cccs2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026387768 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccsc3CO)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026388272 KK Annotated Mild O=C(NCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000026389217 KK Annotated Mild N=C(N)c1ccc([C@@H](NC(=O)/C=C/c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389426 KK Annotated Anodyne N=C(N)c1ccc([C@H](NC(=O)/C=C/c2cccnc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026389430 KK Annotated Anodyne CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026389473 KK Annotated Reactive CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026389477 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C1=Nc1ccc(Nc2ccc(N=C3N(C(=O)OC(C)(C)C)CCN3C(=O)OC(C)(C)C)cc2)cc1 ZINC000026389691 KK Annotated Mild O=C1Nc2ccccc2N(c2ccccc2)C[C@@H]1NC(=O)[C@@H](c1ccc(F)cc1)[C@H](CO)c1ccc(F)c(F)c1 ZINC000026389774 KK Annotated Anodyne Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1 ZINC000026390297 KK Annotated Anodyne NC(N)c1ccc([C@@H](NS(=O)(=O)c2cccc3ccccc23)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390775 KK Annotated Anodyne NC(N)c1ccc([C@H](NS(=O)(=O)c2cccc3ccccc23)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390779 KK Annotated Anodyne NC(N)c1ccc([C@@H](NC(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390791 KK Annotated Anodyne NC(N)c1ccc([C@H](NC(=O)c2ccccc2Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000026390795 KK Annotated Anodyne CC(C)(C)OC(=O)/N=C(/C=C(/O)OC(C)(C)C)Nc1ccc(Cc2ccc(NC(=N\C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)cc2)cc1 ZINC000026391908 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3scnc3C(C)C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026392799 KK Annotated Mild COc1cc2cc(CO)nc(-c3ccnc(-n4nc(-c5cccs5)c5ccccc5c4=O)c3)c2cc1OC ZINC000026393356 KK Annotated Anodyne O=C(NCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000026393466 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3csc(C(C)C)n3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026393910 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3nc4ccccc4s3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026394026 KK Annotated Mild O=C(NCCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000026394583 KK Annotated Mild O=C(NCCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000026394610 KK Annotated Mild O=C(NCCCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCCCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCCCC1)C1CCCCC1 ZINC000026394834 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ncsc3C(C)C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026395304 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ncsc3C(C)C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026395308 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3csc(CO)c3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026395418 KK Annotated Mild COC(=O)CCCOc1ccc(-c2sc3ccccc3c2Cc2ccc(CN3CCCC3)c(OC)c2)cc1 ZINC000026395661 KK Annotated Anodyne COc1cc(Cc2c(-c3ccc(OCCCCO)cc3)sc3ccccc23)ccc1CN1CCCC1 ZINC000026395666 KK Annotated Anodyne C1CCC(NC(=NCCCNCCN=C(NC2CCCCC2)NC2CCCCC2)NC2CCCCC2)CC1 ZINC000026396543 KK Annotated Mild COc1cc(Cc2c(-c3ccc(OCCCC(=O)O)cc3)sc3ccccc23)ccc1CN1CCCC1 ZINC000026396674 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3nc(C(C)C)cs3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026396854 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(CO)s3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000026397211 KK Annotated Mild O=C(N1CCN(C(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)CC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000026398304 KK Annotated Mild CC[C@@H](C)[C@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CCSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026398520 KK Annotated Anodyne CC[C@H](C)[C@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CCSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026398524 KK Annotated Anodyne CC[C@@H](C)[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CCSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026398527 KK Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CCSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C ZINC000026398530 KK Annotated Anodyne N#Cc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000026399636 KK Annotated Mild Cc1cc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(C)cc(C)c6nc45)cccc3cc2c1 ZINC000026400980 KK Annotated Bother CN(CCCNC(=O)c1c(Cl)ccc2cc3ccccc3nc12)CCCNC(=O)c1c(Cl)ccc2cc3ccccc3nc12 ZINC000026402150 KK Annotated Bother CN(CCCNC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12)CCCNC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12 ZINC000026402391 KK Annotated Bother Cc1cccc2cc3c(Cl)ccc(C(=O)NCCCN(C)CCCNC(=O)c4ccc(Cl)c5cc6cccc(C)c6nc45)c3nc12 ZINC000026402398 KK Annotated Bother C=C(C=O)[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)OP(=O)(OCC)OCC ZINC000026402838 KK Annotated Reactive C=C(C=O)[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)OP(=O)(OCC)OCC ZINC000026402842 KK Annotated Reactive CCO/C(O)=C1\C(COCc2cc(=O)[nH]c(NCc3ccncc3)n2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026403041 KK Annotated Anodyne CCO/C(O)=C1\C(COCc2cc(=O)[nH]c(NCc3ccncc3)n2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026403045 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000026403335 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000026403339 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000026403343 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000026403346 KK Annotated Anodyne COc1cc2c3c(c1)c(C)c(-c1cc(C)c(O)c(C)c1)n3C[C@H](CCN1CCN(c3cc(C)ccn3)CC1)O2 ZINC000026403363 KK Annotated Anodyne COc1cc2c3c(c1)c(C)c(-c1cc(C)c(O)c(C)c1)n3C[C@@H](CCN1CCN(c3cc(C)ccn3)CC1)O2 ZINC000026403367 KK Annotated Anodyne Cc1ccnc(N2CCN(CC[C@@H]3Cn4c(-c5cc(C)c(O)c(C)c5)c(C)c5cc(O)cc(c54)O3)CC2)c1 ZINC000026403894 KK Annotated Anodyne Cc1ccnc(N2CCN(CC[C@H]3Cn4c(-c5cc(C)c(O)c(C)c5)c(C)c5cc(O)cc(c54)O3)CC2)c1 ZINC000026403897 KK Annotated Anodyne Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2o1 ZINC000026404082 KK Annotated Reactive Cc1ccc2cc3ccccc3nc2c1C(=O)NCCCN(C)CCCNC(=O)c1c(C)ccc2cc3ccccc3nc12 ZINC000026404088 KK Annotated Bother C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000026404220 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000026404222 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000026404225 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000026404228 KK Annotated Mild Cc1coc2c(O)cc3c(c12)C(C)(C)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000026404301 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 ZINC000026404316 KK Annotated Bother C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000026404458 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000026404461 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000026404464 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000026404467 KK Annotated Reactive CN(CCCNC(=O)c1cccc2cc3ccc(C(F)(F)F)cc3nc12)CCCNC(=O)c1cccc2cc3ccc(C(F)(F)F)cc3nc12 ZINC000026404495 KK Annotated Bother COC(=O)CCCOc1ccc(-c2cc3ccccc3n2Cc2ccc(CN3CCCC3)c(OC)c2)cc1 ZINC000026404558 KK Annotated Anodyne C=C(C=O)[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/C(=N\C1CCCCC1)NC1CCCCC1 ZINC000026404819 KK Annotated Reactive C=C(C=O)[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/C(=N\C1CCCCC1)NC1CCCCC1 ZINC000026404825 KK Annotated Reactive Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2s1 ZINC000026405013 KK Annotated Reactive COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 ZINC000026467850 KK Annotated Bother COc1ccc(-c2cc(Sc3cc(Cl)c(Cl)c(Cl)c3)nnc2-c2ccc(OC)cc2)cc1 ZINC000026468574 KK Annotated Anodyne Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2o1 ZINC000026468898 KK Annotated Reactive C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000026468953 KK Annotated Mild in-vitro biogenic C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)C1=C3 ZINC000026469147 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)C1=C3 ZINC000026469153 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)C1=C3 ZINC000026469160 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)C1=C3 ZINC000026469165 KK Annotated Mild Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4s3)ccc2s1 ZINC000026469556 KK Annotated Reactive CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C=N1 ZINC000026470935 KK Annotated Bother CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C=N1 ZINC000026470943 KK Annotated Bother CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(C(C)C)=N1 ZINC000026470951 KK Annotated Bother CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(C(C)C)=N1 ZINC000026470958 KK Annotated Bother CCO/C(O)=C1\C(COC[C@@](C)(O)c2ccco2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026471007 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@@](C)(O)c2ccco2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026471014 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@](C)(O)c2ccco2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026471021 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@](C)(O)c2ccco2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026471028 KK Annotated Anodyne Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4s3)ccc2o1 ZINC000026471103 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000026472662 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000026472670 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000026472679 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000026472687 KK Annotated Mild CCC(=O)O[C@@H]1c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC(C)(C)[C@@H]1OC(=O)CC ZINC000026472983 KK Annotated Bother C=C(C=O)[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)N[C@@H](CC(C)C)C(=O)OC ZINC000026473630 KK Annotated Reactive C=C(C=O)[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)N[C@@H](CC(C)C)C(=O)OC ZINC000026473636 KK Annotated Reactive COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 ZINC000026473646 KK Annotated Bother CCOC(=O)C1=C(Cl)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000026474096 KK Annotated Bother CCOC(=O)C1=C(Cl)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000026474104 KK Annotated Bother CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)c1ccccc1 ZINC000026474656 KK Annotated Bother CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)c1ccccc1 ZINC000026474663 KK Annotated Bother Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 ZINC000026475051 KK Annotated Reactive COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@@H]4Sc5ccccc5N[C@H]34)cc2)cc1OC ZINC000026476960 KK Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4Sc5ccccc5N[C@H]34)cc2)cc1OC ZINC000026476969 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 ZINC000026478219 KK Annotated Bother COc1cc(F)cc(-c2ccc([C@@H](CC(=O)O)NC(=O)[C@]3(C)CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000026478311 KK Annotated Anodyne CCOC(=O)C1=C(COCCN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)N=C(C)N(C(=O)OC)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000026478930 KK Annotated Bother CCOC(=O)C1=C(COCCN(Cc2ccccc2)Cc2ccc(Cl)c(Cl)c2)N=C(C)N(C(=O)OC)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000026478935 KK Annotated Bother COc1ccc(OC)c(-c2ccc([C@@H](CC(=O)O)NC(=O)[C@]3(C)CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 ZINC000026480151 KK Annotated Anodyne COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1 ZINC000026480464 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@@](C)(O)CSc2ncccn2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026480547 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@@](C)(O)CSc2ncccn2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026480555 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@](C)(O)CSc2ncccn2)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026480562 KK Annotated Anodyne CCO/C(O)=C1\C(COC[C@](C)(O)CSc2ncccn2)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026480569 KK Annotated Anodyne COc1ccc(F)cc1-c1ccc([C@@H](CC(=O)O)NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026482418 KK Annotated Anodyne C[C@@](CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)cc1)c1ccc(O)c(CN2CCCCCC2)c1 ZINC000026482941 KK Annotated Clean C[C@](CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)cc1)c1ccc(O)c(CN2CCCCCC2)c1 ZINC000026482949 KK Annotated Clean CCC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000026483815 KK Annotated Bother CCC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000026483820 KK Annotated Bother CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C ZINC000026484109 KK Annotated Anodyne O=C(NC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1)Oc1c(-c2ccccc2)cccc1-c1ccccc1 ZINC000026484739 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(N(C)C)=N1 ZINC000026484763 KK Annotated Bother CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccc3ccccc3c2)C(N(C)C)=N1 ZINC000026484769 KK Annotated Bother CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)C(C(F)(F)F)=N1 ZINC000026484848 KK Annotated Bother CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)C(C(F)(F)F)=N1 ZINC000026484854 KK Annotated Bother C[C@@]1(C(=O)N[C@H](CC(=O)O)c2ccc(-c3ccccc3OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026485188 KK Annotated Anodyne COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3cccc4ccccc34)c2=O)cc1 ZINC000026486040 KK Annotated Anodyne COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3cccc4ccccc34)c2=O)cc1 ZINC000026486047 KK Annotated Anodyne COc1cc(F)c(-c2ccc([C@@H](CC(=O)O)NC(=O)[C@]3(C)CCCN3S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c(OC)c1 ZINC000026486269 KK Annotated Anodyne COc1ccc(CCN(C)CCOc2ccc(NC(=O)C3=CC=C[C@H]4C(=O)c5ccccc5C(=O)[C@H]34)cc2)cc1OC ZINC000026487084 KK Annotated Clean CC1=NC(C)=C(C(=O)OCC2CC2)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(CCCc1ccccc1)Cc1ccccc1 ZINC000026487150 KK Annotated Bother CC1=NC(C)=C(C(=O)OCC2CC2)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(CCCc1ccccc1)Cc1ccccc1 ZINC000026487156 KK Annotated Bother CCC1=C(c2ccc(OCCCC(=O)O)c(Cl)c2Cl)O[C@@](CC)(C(=O)c2ccc(OCCCC(=O)O)c(Cl)c2Cl)CC1 ZINC000026487380 KK Annotated Anodyne CCC1=C(c2ccc(OCCCC(=O)O)c(Cl)c2Cl)O[C@](CC)(C(=O)c2ccc(OCCCC(=O)O)c(Cl)c2Cl)CC1 ZINC000026487385 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(CCc1ccccc1)Cc1ccccc1 ZINC000026487540 KK Annotated Bother CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(CCc1ccccc1)Cc1ccccc1 ZINC000026487546 KK Annotated Bother COc1cccc(OC)c1-c1ccc([C@@H](CC(=O)O)NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026487707 KK Annotated Anodyne CCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000026488052 KK Annotated Bother C[C@@]1(C(=O)N[C@H](CC(=O)O)c2ccc(-c3ccc(F)cc3OC(F)(F)F)cc2)CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000026488709 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026489014 KK Annotated Reactive COc1cc2c(cc1S(=O)(=O)N[C@@H]1[C@@H]3CC[C@@H](C3)[C@H]1C/C=C\CCC(C)(C)C(=O)O)oc1ccccc12 ZINC000026489103 KK Annotated Anodyne COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5cccc(OC)c5[nH]c34)c(C)c2)cc1OC ZINC000026489240 KK Annotated Bother COc1cc(F)ccc1-c1ccc([C@@H](CC(=O)O)NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026489246 KK Annotated Anodyne COc1c(F)cc(F)c(OC)c1-c1ccc([C@@H](CC(=O)O)NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026491951 KK Annotated Anodyne CC(=N)c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C(C)=N)c4c3O)c(O)c12 ZINC000026492403 KK Annotated Clean COc1ccccc1-c1ccc([C@@H](CC(=O)O)NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000026492524 KK Annotated Anodyne C[C@@](CCCN)(NC(=O)c1ccccc1Cn1ccc2c1C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2)C(=O)O ZINC000026493106 KK Annotated Anodyne C[C@](CCCN)(NC(=O)c1ccccc1Cn1ccc2c1C(=O)C(Cc1ccccc1)(Cc1ccccc1)CC2)C(=O)O ZINC000026493110 KK Annotated Anodyne COc1ccc(CN(C)CCc2ccc(NC(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)c(C)c2)cc1OC ZINC000026493343 KK Annotated Bother CSC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000026493436 KK Annotated Bother CSC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000026493440 KK Annotated Bother COCc1cc(CCNC[C@@H](C)c2c(-c3cc(C)cc(C)c3)[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc23)ccn1 ZINC000026493619 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC[C@@H]1CCCCO1 ZINC000026493651 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC[C@@H]1CCCCO1 ZINC000026493655 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC[C@H]1CCCCO1 ZINC000026493659 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)[C@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC[C@H]1CCCCO1 ZINC000026493663 KK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@H]3C(=O)c4ccccc4N[C@H]23)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000026493748 KK Annotated Anodyne CN(CCOc1ccc(NC(=O)C2=CC=C[C@@H]3C(=O)c4ccccc4N[C@H]23)cc1)Cc1ccc(C(F)(F)F)cc1 ZINC000026493752 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC2CC2)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(C/C=C/c1ccccc1)Cc1ccccc1 ZINC000026493798 KK Annotated Bother CC1=NC(C)=C(C(=O)OCC2CC2)[C@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(C/C=C/c1ccccc1)Cc1ccccc1 ZINC000026493802 KK Annotated Bother CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)cc2c1 ZINC000026493990 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)cc2c1 ZINC000026493994 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026494004 KK Annotated Reactive COc1cc([C@@H]2Cc3[nH]c4ccc(Br)cc4c3[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc(OC)c1OC ZINC000026494145 KK Annotated Anodyne COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1 ZINC000026494402 KK Annotated Anodyne COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1 ZINC000026494406 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N/N=C(/CCN2CCCC2)C[C@@H](c2ccccc2)c2c(O)oc3ccccc3c2=O)cc1 ZINC000026495527 KK Annotated Mild Cc1ccc(S(=O)(=O)N/N=C(/CCN2CCCC2)C[C@H](c2ccccc2)c2c(O)oc3ccccc3c2=O)cc1 ZINC000026495531 KK Annotated Mild CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCc2ccc(N=[N+]=[N-])c(I)c2)CC1 ZINC000026496243 KK Annotated Mild CCCC[C@@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(/C(O)=N/S(=O)(=O)c4ccccc4)c(OC)c3)c2c1 ZINC000026496396 KK Annotated Mild CCCC[C@H](CC)C(=O)Nc1ccc2ccn(Cc3ccc(/C(O)=N/S(=O)(=O)c4ccccc4)c(OC)c3)c2c1 ZINC000026496401 KK Annotated Mild CC(CCC(O)(c1ccccc1)c1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 ZINC000026497264 KK Annotated Clean CC(CCCN(Cc1ccccc1)Cc1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 ZINC000026497268 KK Annotated Clean O=C(NCC(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1)C(c1ccccc1)c1ccccc1 ZINC000026497274 KK Annotated Clean COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026499136 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026499139 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026499142 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026499144 KK Annotated Reactive CC(C)[C@@H](NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 ZINC000026499396 KK Annotated Anodyne CC(C)[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 ZINC000026499399 KK Annotated Anodyne CC(CCC(c1ccccc1)c1ccccc1)(c1ccc(O)c(CN2CCCCCC2)c1)c1ccc(O)c(CN2CCCCCC2)c1 ZINC000026499439 KK Annotated Clean Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C3COC3)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261070922 KK Annotated Anodyne CO[C@@H]1C[C@@H](C(F)F)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261071450 KK Annotated Anodyne CC(C)OC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261071536 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCCO3)n1C ZINC000261071551 KK Annotated Anodyne CO[C@@H]1CC[C@@H](Nc2cc(N3CCCC3)nc3cc(-c4nc5cc(C(F)(F)F)ccc5nc4C)nn23)CC1 ZINC000261071573 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)C4(C)CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261072091 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4cc(Cc5ccc6c(n5)NCC=C6)cnc4[nH]3)n[nH]c2c1 ZINC000261072208 KK Annotated Anodyne Cc1cccc2c(C(c3ccc(NC(=S)Nc4ccc([N+](=O)[O-])cc4)cc3)c3c[nH]c4c(C)cccc34)c[nH]c12 ZINC000261073318 KK Annotated Bother Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn([C@H]3CCOC3)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261073345 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn([C@@H]3CCOC3)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261073348 KK Annotated Anodyne COc1ccc(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc1C#N ZINC000261073356 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261073923 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261073924 KK Annotated Mild COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cnn(C)c3)c(C)n2C)c1 ZINC000261073946 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@H](C)CC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000261074018 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@H](C)CC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000261074021 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCN(C(C)=O)CC4)CC3)cc1)C(=O)C2 ZINC000261074044 KK Annotated Anodyne CCON(COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261074612 KK Annotated Anodyne CCON(COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261074613 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OS(=O)(=O)c4ccc(C)cc4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000261074616 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3C[C@H](O)C[C@H]4CCCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261074713 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3C[C@H](O)C[C@H]4CCCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261074718 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3C[C@H](O)C[C@@H]4CCCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261074721 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3C[C@H](O)C[C@@H]4CCCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261074726 KK Annotated Anodyne C[C@@H]1Cc2ccccc2CN1C(=O)c1cc2c(cc1-c1cc(C(=O)N(c3ccc(O)cc3)c3cnn(C)c3)c(CN3CCOCC3)n1C)OCO2 ZINC000261075241 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccccc3)nc(N3C[C@H]4C[C@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000261076528 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@H](C)c3ccccc3)nc(N3C[C@H]4C[C@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000261076529 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N[C@H]6CCN(C(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1 ZINC000261076545 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000261076561 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cccc(C#N)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261076570 KK Annotated Mild Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2ccc(CNC(=O)COc3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261076692 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261077817 KK Annotated Anodyne CO[C@@H]1CC[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261077821 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ccc(C(C)(C)C)nc2)C3)c(F)c1 ZINC000261077877 KK Annotated Anodyne C=CCNC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261078043 KK Annotated Mild C=CCNC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261078050 KK Annotated Mild C=CCNC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261078054 KK Annotated Mild C=CCNC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261078057 KK Annotated Mild CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261078078 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261078081 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261078086 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261078090 KK Annotated Anodyne CCCC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261078585 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CCCN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261078602 KK Annotated Mild CNC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261079116 KK Annotated Anodyne CNC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261079117 KK Annotated Anodyne CNC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261079118 KK Annotated Anodyne CNC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261079119 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnn(C3CCC3)c1)C2 ZINC000261079170 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1n1ccnn1 ZINC000261079539 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCC5CC5)cc4F)cc3C2)cc1 ZINC000261079555 KK Annotated Anodyne CC1(C)C[C@@H](c2ccc(Cl)cc2)[C@@H](CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000261079616 KK Annotated Bother CC1(C)C[C@@H](c2ccc(Cl)cc2)[C@H](CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000261079625 KK Annotated Bother CC1(C)C[C@H](c2ccc(Cl)cc2)[C@H](CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000261079632 KK Annotated Bother CC1(C)C[C@H](c2ccc(Cl)cc2)[C@@H](CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(OCC5(F)CCOCC5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5cc4F)c3)CC2)CO1 ZINC000261079637 KK Annotated Bother COc1ccc(N(C(=O)c2cc(-c3cc(F)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc1C#N ZINC000261079812 KK Annotated Mild COC[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261080373 KK Annotated Anodyne COC[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261080374 KK Annotated Anodyne COC[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261080375 KK Annotated Anodyne COC[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261080376 KK Annotated Anodyne COc1cc(C#N)cc(N(C(=O)c2cc(-c3cc(F)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)c1 ZINC000261080407 KK Annotated Mild CCO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261080448 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@](C)(F)c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261081105 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@@](C)(F)c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261081106 KK Annotated Anodyne CCCO[C@H](CC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261081203 KK Annotated Anodyne CCCO[C@@H](CC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261081204 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3n[nH]c(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000261081808 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3n[nH]c(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000261081810 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@]34CCOC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261081885 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@]34CCOC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261081887 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(CCc1ccc(OC(F)(F)F)cc1)C2 ZINC000261081902 KK Annotated Anodyne COC(C)(C)[C@@H]1CCCN1c1nc2cc(-c3n[nH]c(=O)o3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261082599 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCNC(=O)C4)CC3)cc1)C(=O)C2 ZINC000261083074 KK Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@H](COC(=O)CCC(=O)OC[C@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000261083173 KK Annotated Anodyne CCn1c(C#N)cc(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)c1C ZINC000261083180 KK Annotated Mild Cc1ccc(OC(=O)NCc2ccc(-c3cc(C(=O)N(C)c4ccc(O)cc4)c(C)n3C)c(C(=O)N3Cc4ccccc4C[C@H]3C)c2)cc1 ZINC000261083573 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc(F)cn2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261083754 KK Annotated Anodyne CC(C)OC[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261084087 KK Annotated Anodyne CC(C)OC[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261084088 KK Annotated Anodyne Cc1c(C(=O)N(c2cnc3c(ccn3C)c2)c2ccc(O)cn2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261084253 KK Annotated Anodyne CC(C)(C)n1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000261084869 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@@](C)(F)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261084885 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@](C)(F)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261084886 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261084911 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261084912 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261084913 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261084914 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3c(Cl)c(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261086027 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC(F)(F)[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261086091 KK Annotated Anodyne CO[C@@H]1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2[C@H](C)[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261086487 KK Annotated Anodyne CO[C@@H]1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2[C@@H](C)[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261086488 KK Annotated Anodyne C=C(C)C(=O)N(CCCCN=c1c2ccccc2nc2n1CCCCCC2)CCCN=c1c2ccccc2nc2n1CCCCCC2 ZINC000261086538 KK Annotated Mild COCCN(C)CCn1c(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2C)OCO3)cc(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)c1C ZINC000261086549 KK Annotated Anodyne COC[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C(C)C ZINC000261087064 KK Annotated Anodyne COC[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C(C)C ZINC000261087065 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCC5CCCCC5)cc4F)cc3C2)cc1 ZINC000261087073 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000261087827 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000261087828 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261088282 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc(C#N)s2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261089286 KK Annotated Mild NS(=O)(=O)c1ccc(N=Nc2c(-c3ccccc3)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1 ZINC000261089806 KK Annotated Clean COCCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261089864 KK Annotated Anodyne COCCO[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261089865 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCOCC5)cc4F)ccc3C2)cc1 ZINC000261089913 KK Annotated Anodyne C[C@@H]1CC[C@@H]([C@@H](C)n2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261090444 KK Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](C)n2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261090445 KK Annotated Anodyne COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2[nH]c(C)c(C(=O)N(c3ccc(O)cc3)c3cnn(C)c3)c2C)cc1F ZINC000261091101 KK Annotated Anodyne CC[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261091195 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)cn1)C(=O)C2 ZINC000261091678 KK Annotated Anodyne CCO[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261091701 KK Annotated Anodyne CCO[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261091703 KK Annotated Anodyne CCO[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261091707 KK Annotated Anodyne CCO[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261091711 KK Annotated Anodyne COC(=O)CN(C)[C@@H]1CC[C@@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(OC(C)C)cc4[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000261091798 KK Annotated Anodyne Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCN(C(=O)OC(C)(C)C)CC6)cc5c4)n3c2)cn1 ZINC000261091876 KK Annotated Anodyne COc1cnc(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cn1 ZINC000261092594 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261093222 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261093223 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261093226 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261093228 KK Annotated Anodyne CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2cc3c(cc2-c2cc(C(=O)N(c4ccc(O)cc4)c4ccc5c(ccn5C)c4)cn2C)OCO3)CC1 ZINC000261093236 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3C3CC3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261093242 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]3C3CC3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261093245 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261093730 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261093731 KK Annotated Mild Cc1c(N(C(=O)c2cc(-c3cc(F)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261093750 KK Annotated Mild COC1CN(C[C@@H]2CC[C@@H](CO[C@@H]3CC[C@@H](C(=O)O)CC3)N2C(=O)Cc2ccc3nc(Nc4cc(F)ccc4C)oc3c2F)C1 ZINC000261094191 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261094814 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261094819 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261094823 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261094828 KK Annotated Anodyne O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCC2=NCCN2)CC1 ZINC000261094850 KK Annotated Anodyne O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@@H](CCC2=NCCN2)CC1 ZINC000261094855 KK Annotated Anodyne Cc1ccc(-n2cc(CN3CCc4cc(S(=O)(=O)Nc5ccc(CCCC6CCCC6)cc5F)ccc4C3)cn2)cc1 ZINC000261094912 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)NCC4=O)CC3)cc1)C(=O)C2 ZINC000261094942 KK Annotated Anodyne Cc1c(C(=O)N(c2ccccc2)c2cnc3c(ccn3C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261094954 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2csc(C#N)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261094972 KK Annotated Mild CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN([C@@]1(C)C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 ZINC000261095382 KK Annotated Mild CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN([C@]1(C)C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 ZINC000261095384 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261095800 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261095804 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261095809 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OCCCc5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261095812 KK Annotated Mild Cc1ccc([C@@H]2CC=C(C(=O)NC3CC3)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261095816 KK Annotated Anodyne Cc1ccc([C@H]2CC=C(C(=O)NC3CC3)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261095818 KK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)NC3CC3)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261095820 KK Annotated Anodyne Cc1ccc([C@H]2CC=C(C(=O)NC3CC3)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261095823 KK Annotated Anodyne CSC[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261095830 KK Annotated Anodyne CSC[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261095832 KK Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC(C)C)cc3F)n2)C[C@H]1N ZINC000261096008 KK Annotated Anodyne CO[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC(C)C)cc3F)n2)C[C@H]1N ZINC000261096011 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCN(C(=O)C4CC4)[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261096394 KK Annotated Anodyne CCC(CC)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)Nc1ccc(CC(=O)O)cc1 ZINC000261096532 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@H]3CCCN(C)C3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261096568 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@H]3CCCN(C)C3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261096571 KK Annotated Anodyne CCOC(=O)c1cc2nc(N3CCOC[C@H]3c3ccccc3)n(C[C@@H]3CC[C@@H](C)CC3)c2c(-c2cncc(Cl)c2)n1 ZINC000261096590 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(C)CC)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261096627 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(C)CC)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261096890 KK Annotated Anodyne c1ccc(CN[C@@H]2[C@H]3N(Cc4ccccc4)[C@H]4[C@H](N2Cc2ccccc2)N(Cc2ccccc2)[C@@]2(C[C@H]2N3Cc2ccccc2)N4Cc2ccccc2)cc1 ZINC000261097027 KK Annotated Anodyne c1ccc(CN[C@@H]2[C@@H]3N(Cc4ccccc4)[C@H]4C[C@@]45N(Cc4ccccc4)[C@H]([C@H](N3Cc3ccccc3)N5Cc3ccccc3)N2Cc2ccccc2)cc1 ZINC000261097035 KK Annotated Anodyne c1ccc(CN[C@@H]2[C@H]3N(Cc4ccccc4)[C@H]4[C@@H](N2Cc2ccccc2)N(Cc2ccccc2)[C@@]2(C[C@H]2N3Cc2ccccc2)N4Cc2ccccc2)cc1 ZINC000261097038 KK Annotated Anodyne c1ccc(CN[C@@H]2[C@@H]3N(Cc4ccccc4)[C@H]4C[C@@]45N(Cc4ccccc4)[C@@H]([C@H](N3Cc3ccccc3)N5Cc3ccccc3)N2Cc2ccccc2)cc1 ZINC000261097042 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(O)N3C/C(=C\c4ccc(Br)cc4)C(=O)[C@@]4(C3)[C@@H](c3ccc(Br)cc3)[C@@H]3CCCN3[C@]124 ZINC000261097137 KK Annotated Mild O=C1c2ccccc2[C@]2(O)N3C/C(=C\c4ccc(Br)cc4)C(=O)[C@@]4(C3)[C@@H](c3ccc(Br)cc3)[C@@H]3CCCN3[C@@]142 ZINC000261097149 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(F)cc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261097190 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(F)cc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261097191 KK Annotated Mild CCCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN([C@H](C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261097546 KK Annotated Mild CCCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN([C@@H](C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261097548 KK Annotated Mild CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCc5ccccc5)cc4F)cc3C2)cc1 ZINC000261097589 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3CF)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261097597 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OCC)CC2)C(=O)OC12CCN([C@@H]1C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C1)CC2 ZINC000261098276 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OCC)CC2)C(=O)OC12CCN([C@H]1C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C1)CC2 ZINC000261098277 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(Nc3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261098301 KK Annotated Anodyne CCO[C@H](c1ccccn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261098326 KK Annotated Anodyne CCO[C@@H](c1ccccn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261098327 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C ZINC000261098383 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261098399 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261098401 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261098403 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261098405 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cccc(Cl)c4)c32)CC1 ZINC000261098800 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)C4CCC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261099312 KK Annotated Anodyne CC(C)(C)C(=O)N(CCCCN=c1c2ccccc2nc2n1CCCCCC2)CCCN=c1c2ccccc2nc2n1CCCCCC2 ZINC000261099455 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261099888 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261099896 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261099903 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5[C@@H](C)CN(Cc6ccc([N+](=O)[O-])cc6)C[C@H]5C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261099907 KK Annotated Mild Cc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@H]4CCC[C@@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261099948 KK Annotated Anodyne Cc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@@H]4CCC[C@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261099953 KK Annotated Anodyne Cc1nc(N2CCC(C)CC2)nc(Sc2nnc(Sc3nc(N4CCC(C)CC4)nc(C)c3Br)n2N)c1Br ZINC000261100394 KK Annotated Anodyne CCOC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261100405 KK Annotated Anodyne CC(C)[C@@H](CS(C)(=O)=O)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261101070 KK Annotated Anodyne CC(C)[C@H](CS(C)(=O)=O)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261101071 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)Nc1cnc2c(c1)[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC2 ZINC000261101133 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)Nc1cnc2c(c1)[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N(C(=O)/C=C/c1cc(Cl)ccc1-n1cnnn1)CC2 ZINC000261101136 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4cccc(O)n4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261101231 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc(F)c(C#N)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261101675 KK Annotated Mild COc1nc(Nc2ncc3c4ccncc4n([C@@H]4CC[C@@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 ZINC000261101695 KK Annotated Anodyne COc1ccc(OCCOc2ccc(NS(=O)(=O)c3ccc4c(c3)CN(C(=O)Nc3ccc(C(C)(C)C)cc3)C4)c(F)c2)cc1 ZINC000261101707 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCc5ccccn5)cc4F)cc3C2)cc1 ZINC000261102398 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCC5CCCCC5)cc4F)cc3C2)cc1 ZINC000261102667 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4cc(C(=O)c5ccc(Oc6ccccc6F)cc5OC[C@H](C)NN)cnc4[nH]3)n[nH]c2c1 ZINC000261103213 KK Annotated Anodyne CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4cc(C(=O)c5ccc(Oc6ccccc6F)cc5OC[C@@H](C)NN)cnc4[nH]3)n[nH]c2c1 ZINC000261103217 KK Annotated Anodyne Cc1noc(C)c1[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261103609 KK Annotated Anodyne Cc1noc(C)c1[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261103610 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3n[nH]c(=O)o3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000261103658 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3n[nH]c(=O)o3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCCC1 ZINC000261103663 KK Annotated Anodyne Cc1cc([C@@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)on1 ZINC000261103752 KK Annotated Anodyne Cc1cc([C@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)on1 ZINC000261103753 KK Annotated Anodyne CCCCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261103758 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@](C)(CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)C(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000261104005 KK Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000261104631 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)cc3)CC=C(C(=O)O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000261104632 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1CCF ZINC000261104652 KK Annotated Anodyne O=C(NC1CCCCC1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000261104701 KK Annotated Anodyne COC(=O)CCCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261105007 KK Annotated Mild COCCn1c(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)cc(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)c1C ZINC000261105011 KK Annotated Anodyne CC(C)CCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261105018 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3COC(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261105054 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]3COC(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261105055 KK Annotated Anodyne COc1ccc(-c2cc(C(=O)N(c3ccc(O)cc3)c3cc(C#N)n(C)c3C)c(C)n2C)c(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c1 ZINC000261105059 KK Annotated Mild C[C@@H]1CC[C@@H]([C@@H](C)n2c(N3CCN(C(=O)C4(F)CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261105838 KK Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](C)n2c(N3CCN(C(=O)C4(F)CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261105840 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)CC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000261105845 KK Annotated Mild CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](O)C[C@@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000261106321 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCOC5CCCC5)cc4F)cc3C2)cc1 ZINC000261106386 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N[C@@H](C)c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261107369 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N[C@H](C)c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261107371 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261107376 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(Cl)c3Cl)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000261107405 KK Annotated Mild CC[C@H](OCC(F)(F)F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261107417 KK Annotated Anodyne CC[C@@H](OCC(F)(F)F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261107418 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261107426 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261107427 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261107428 KK Annotated Anodyne CCN(CC)Cc1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261107430 KK Annotated Anodyne CC(C)OC[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261107435 KK Annotated Anodyne CC(C)OC[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261107436 KK Annotated Anodyne COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cc(C#N)ccn3)c(C)n2C)cc1F ZINC000261109244 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CC3(CCO3)C2)n1C ZINC000261109260 KK Annotated Anodyne Cc1nc(N2CCN(c3ccccc3)CC2)nc(Sc2nnc(Sc3nc(N4CCN(c5ccccc5)CC4)nc(C)c3Br)n2N)c1Br ZINC000261109286 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)n(C)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261109318 KK Annotated Mild O=S(=O)(C[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1O ZINC000261110823 KK Annotated Anodyne Cc1cc(C#N)nc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(C[C@@H]4CC[C@@H](O)CC4)C[C@H]3c3ccccc3)CC2)CC1 ZINC000261110834 KK Annotated Mild Cc1c(N(C(=O)c2cc(-c3ccc(F)cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261110854 KK Annotated Mild CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cc1 ZINC000261111412 KK Annotated Anodyne C[N@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261111448 KK Annotated Bother C[N@@+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261111453 KK Annotated Bother C[N@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261111457 KK Annotated Bother C[N@@+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N@@+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000261111461 KK Annotated Bother CCO[C@H](c1ccn(C)n1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261111491 KK Annotated Anodyne CCO[C@@H](c1ccn(C)n1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261111492 KK Annotated Anodyne CC(=O)N1[C@H]2C=C(CN3[C@H]4CC[C@H]3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)C[C@H]1CCC2 ZINC000261112049 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261112088 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@@H]3c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261112092 KK Annotated Anodyne Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2ccc(CNS(=O)(=O)CCc3ccc(F)cc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261112195 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc1Cl ZINC000261112779 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@H](C(=O)O)[C@@H]23)cc1Cl ZINC000261112780 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@H]2[C@H]3[C@H]2C(=O)O)cc1Cl ZINC000261112781 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@@H](C(=O)O)[C@H]23)cc1Cl ZINC000261112782 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N(C)c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261112955 KK Annotated Anodyne O=C(CCC(=O)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1S2)OC[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1O2 ZINC000261113532 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261113644 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@H](c1ccccc1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261113649 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cccc(C#N)n2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261114285 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261114289 KK Annotated Anodyne CO[C@@H]1C[C@@H](C2(OC)CC2)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261114340 KK Annotated Anodyne CO[C@@H]1C[C@H](C2(OC)CC2)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261114341 KK Annotated Anodyne CCO[C@H](c1cscn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261114393 KK Annotated Anodyne CCO[C@@H](c1cscn1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261114394 KK Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(/C=C/CN3CCN(c4ccccc4)CC3)ccc1C2)c1ccc(Cl)s1 ZINC000261114829 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CCCN3CCOCC3)n(C)c2C)c2ccccc2)cc(C#N)n1C ZINC000261114886 KK Annotated Mild Cc1c(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cnn1-c1ccccc1 ZINC000261115105 KK Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@H]1N ZINC000261115826 KK Annotated Anodyne COc1ccc(-c2cc(C(=O)N(c3ccc(O)cc3)c3cnn(C)c3)c(C)n2C)c(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c1 ZINC000261115835 KK Annotated Anodyne COc1c(-c2noc(=O)[nH]2)nc(-c2cncc(Cl)c2)c2c1nc(N1CCO[C@@H]3CCC[C@H]31)n2C[C@@H]1CC[C@@H](C)CC1 ZINC000261116134 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261116255 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261116262 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261116269 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccc(C#N)cc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261116276 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(CC(N)=O)CC(N)=O)CC3)cc1)C(=O)C2 ZINC000261116544 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261116992 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3c(Br)c(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261117170 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3c(F)c(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261117629 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261117765 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@@H](C)CO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261117768 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)c(F)c2)c2cnn(C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261117903 KK Annotated Anodyne CC(C)(C)c1ccc(C(C)(C)N2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000261118407 KK Annotated Anodyne CCOC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000261118437 KK Annotated Anodyne CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CC(=O)Nc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000261119052 KK Annotated Anodyne CC(C)(C)c1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCOCC5)cc4F)ccc3C2)ccn1 ZINC000261119700 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C3CC3)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261119713 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CN(C(=O)OCc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261119719 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCOCC4)CC3)cc1)C(=O)C2 ZINC000261120523 KK Annotated Anodyne COCOCCCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261120535 KK Annotated Mild CC(C)[C@H](C[C@H]1CC[C@@H](NCC2CC2)CC1)N1CCCc2ccc(Oc3ccc(F)cc3F)cc2C1=O ZINC000261120569 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN([C@H](C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261121325 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN([C@@H](C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261121327 KK Annotated Anodyne Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2cc(CNC(=O)COc3ccccc3)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261121339 KK Annotated Anodyne CCOC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3ccccc3C)oc2c1F ZINC000261121358 KK Annotated Anodyne C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261121423 KK Annotated Anodyne C[C@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261121425 KK Annotated Anodyne C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261121426 KK Annotated Anodyne C[C@@H](C(=O)N[C@@]1(c2ccccc2)CC[C@@H](N2CCC([C@@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000261121427 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccnc(C#N)n2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261121499 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@H](c1ccccc1Cl)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261121912 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@H](c1ccccc1Cl)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261121914 KK Annotated Mild CC(C)(C)n1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCOCC5)cc4F)ccc3C2)cn1 ZINC000261121985 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261122000 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261122699 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C3CC3)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261123608 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(Nc3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261123679 KK Annotated Anodyne CSC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000261123762 KK Annotated Anodyne O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261124153 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261124157 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261124158 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261124159 KK Annotated Mild CO[C@@H](C)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261124370 KK Annotated Anodyne CO[C@H](C)[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261124372 KK Annotated Anodyne CO[C@@H](C)[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261124375 KK Annotated Anodyne CO[C@H](C)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261124377 KK Annotated Anodyne CCC(C)(C)[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261124450 KK Annotated Anodyne CCC(C)(C)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261124453 KK Annotated Anodyne CC(C)NC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261125134 KK Annotated Anodyne CC(C)(C)CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000261125140 KK Annotated Anodyne CC(C)[C@@H]1C[C@](C)(O)CN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261125681 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(c2)CCN3C)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C ZINC000261125687 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c([C@H](O)c3ccc(F)cc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261125688 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c([C@@H](O)c3ccc(F)cc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261125689 KK Annotated Anodyne CO[C@@H]1C[C@H]2CC[C@H]1N2c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261125718 KK Annotated Anodyne CO[C@H]1C[C@H]2CC[C@H]1N2c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261125719 KK Annotated Anodyne CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1 ZINC000261125720 KK Annotated Reactive COC(=O)c1ccnc(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)c1 ZINC000261126997 KK Annotated Anodyne COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O6)C5=O)CC2)c1 ZINC000261127537 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O6)C5=O)CC2)c1 ZINC000261127541 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O6)C5=O)CC2)c1 ZINC000261127543 KK Annotated Mild COc1cccc(CN2CCN(/N=C/c3cc4c5c6c(C)c(O)c4c(O)c3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O6)C5=O)CC2)c1 ZINC000261127545 KK Annotated Mild C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@H](C(=O)O)[C@@H]12 ZINC000261127996 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H](C(=O)O)[C@@H]12 ZINC000261127998 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@H]2C[C@H]1[C@H]1[C@H]2[C@H]1C(=O)O ZINC000261128001 KK Annotated Anodyne C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)cc1F)c1ccccc1[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H](C(=O)O)[C@H]12 ZINC000261128002 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCCO[C@@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261128018 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCCO[C@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261128020 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261128023 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCCO[C@H]4CCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261128024 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc3c(cnn3C)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261128071 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)nn2C)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261128503 KK Annotated Mild COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cnc4c(ccn4C)c3)c(C)n2C)cc1F ZINC000261128512 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261129211 KK Annotated Mild C=CC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@H](c1cccc3ccccc13)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261129216 KK Annotated Mild Cc1nc([C@@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)no1 ZINC000261129303 KK Annotated Anodyne Cc1nc([C@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)no1 ZINC000261129304 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cccc(F)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261129327 KK Annotated Anodyne COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cc(C#N)n(C)c3C)c(C)n2C)c1 ZINC000261129683 KK Annotated Mild COc1ncc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCOCC3)OCO4)n(C)c2C)c2ccc(O)cc2)cn1 ZINC000261129700 KK Annotated Anodyne CC[C@H](CSC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261130044 KK Annotated Anodyne CC[C@@H](CSC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261130046 KK Annotated Anodyne Cc1cccnc1[C@@](C)(F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261130567 KK Annotated Anodyne Cc1cccnc1[C@](C)(F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261130582 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(O)N3C/C(=C\c4ccccc4Cl)C(=O)[C@@]4(C3)[C@@H](c3ccccc3Cl)[C@@H]3CCCN3[C@]124 ZINC000261130621 KK Annotated Mild O=C1c2ccccc2[C@]2(O)N3C/C(=C\c4ccccc4Cl)C(=O)[C@@]4(C3)[C@@H](c3ccccc3Cl)[C@@H]3CCCN3[C@@]142 ZINC000261130629 KK Annotated Mild CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4c(ccn4C)c3)cn2C)CC1 ZINC000261130716 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)C[C@@H](N)[C@H]1OCCC#N ZINC000261131144 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CC[C@@H]4[C@H]3[C@H]4C(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261131204 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CC[C@@H]4[C@H]3[C@@H]4C(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261131205 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CC[C@H]4[C@H](C(F)(F)F)[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261131206 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CC[C@@H]4[C@@H]3[C@@H]4C(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261131207 KK Annotated Anodyne CCn1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000261131645 KK Annotated Anodyne CCCCNC(=O)[C@H](C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000261131662 KK Annotated Anodyne CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000261131663 KK Annotated Anodyne O=C(O)CCCCCCCCC(=O)Nc1ccc(C=c2nc(O)c(=Cc3ccc(NC(=O)c4cccs4)cc3)nc2O)cc1 ZINC000261131717 KK Annotated Anodyne CCCN(CCOC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261132723 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(OCC4CCC4)c32)CC1 ZINC000261132743 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCOCC5)cc4F)ccc3C2)cc1 ZINC000261132759 KK Annotated Anodyne CCc1noc(C)c1[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261132764 KK Annotated Anodyne CCc1noc(C)c1[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261132768 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000261132786 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@H]2c2ccc(Br)cc2)cc1 ZINC000261132788 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2cnc(C(C)(C)C)cn2)C3)c(F)c1 ZINC000261133277 KK Annotated Anodyne CC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1 ZINC000261133307 KK Annotated Anodyne CC[C@H](c1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1 ZINC000261133315 KK Annotated Anodyne COC(C)(C)CN(C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261134033 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C3COC3)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261134169 KK Annotated Anodyne CCO[C@@H](CC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261135249 KK Annotated Anodyne CCO[C@H](CC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261135253 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3C(F)(F)F)nc3cc(-c4nnn[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261135287 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@](C)(F)c3ccc(F)cc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261135319 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@@](C)(F)c3ccc(F)cc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261135322 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OC3CC3)CC2)C(=O)OC12CCN([C@@H]1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000261135369 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CC[C@@H](OC3CC3)CC2)C(=O)OC12CCN([C@H]1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2 ZINC000261135371 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1CC(F)F ZINC000261135387 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261135776 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261135779 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261135782 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261135784 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261135905 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCOC[C@@H]5CCCO5)cc4F)ccc3C2)cc1 ZINC000261136208 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCOC[C@H]5CCCO5)cc4F)ccc3C2)cc1 ZINC000261136210 KK Annotated Anodyne CCNC(=O)NCc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C)c(-c2cc(C(=O)N(C)c3ccc(O)cc3)c(C)n2C)c1 ZINC000261136236 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(Cc2ccc(C(C)(C)C)nc2)C3)c(F)c1 ZINC000261136240 KK Annotated Anodyne COc1ccccc1/C=C1\CN(C(=O)[C@@H]2C[C@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)C[C@]2(C1=O)[C@H](c1ccccc1OC)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261136288 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@@H]2C[C@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)C[C@]2(C1=O)[C@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261136297 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@@H]2C[C@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)C[C@]2(C1=O)[C@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261136305 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3CF)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261136597 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnn(CC3CC3)c1)C2 ZINC000261136775 KK Annotated Anodyne O=c1[nH]c(-c2cc3nc(N4CCO[C@@H]5CCC[C@H]54)n(C[C@@H]4CC[C@@H](C(F)(F)F)CC4)c3c(-c3cncc(Cl)c3)n2)no1 ZINC000261137800 KK Annotated Anodyne CCOCc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@@H](OC)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261138176 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCCC34CCOCC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261138241 KK Annotated Anodyne C=C(COS(=O)(=O)O)[C@@H]1CC[C@]2(C)[C@@H](OS(=O)(=O)O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000261138329 KK Annotated Mild CC(C)c1ccnc(-c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)c1 ZINC000261138424 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3C(F)(F)F)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261138434 KK Annotated Mild Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@@H]3C(F)(F)F)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261138437 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@@H]3c3cnn(C)c3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261138815 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3c3cnn(C)c3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261138818 KK Annotated Anodyne Cc1cccc2c(C(c3ccc(NC(=S)Nc4cccc(Br)c4)cc3)c3c[nH]c4c(C)cccc34)c[nH]c12 ZINC000261138888 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@](C)(F)c3ncccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261138896 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@@](C)(F)c3ncccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261138897 KK Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@H]2[C@@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000261138903 KK Annotated Anodyne C#Cc1cccc(N[C@@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@H](O)C[C@H]2O)c1 ZINC000261139380 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@@H](O)C[C@H]2O)c1 ZINC000261139381 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1cnc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)cn1)C(=O)C2 ZINC000261139390 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261139414 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261139415 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261139416 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/OC(c5ccccc5)c5ccccc5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261139417 KK Annotated Mild C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8[C@]9(CC[N@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@@H]54)[C@H]69 ZINC000261139421 KK Annotated Mild in-vitro C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8[C@]9(CC[N@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@H]69 ZINC000261139422 KK Annotated Mild in-vitro C=CC[N@+]12CC[C@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8[C@]9(CC[N@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@@H]54)[C@H]69 ZINC000261139423 KK Annotated Mild in-vitro Cc1ccc([C@@H]2CC=C(CNC3CC3)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261139432 KK Annotated Anodyne Cc1ccc([C@@H]2CC=C(CNC3CC3)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261139433 KK Annotated Anodyne Cc1ccc([C@H]2CC=C(CNC3CC3)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261139434 KK Annotated Anodyne Cc1ccc([C@H]2CC=C(CNC3CC3)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261139435 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(O)N3C/C(=C\c4cccc5ccccc45)C(=O)[C@@]4(C3)[C@@H](c3cccc5ccccc35)[C@@H]3CCCN3[C@]124 ZINC000261139862 KK Annotated Mild O=C1c2ccccc2[C@]2(O)N3C/C(=C\c4cccc5ccccc45)C(=O)[C@@]4(C3)[C@@H](c3cccc5ccccc35)[C@@H]3CCCN3[C@@]142 ZINC000261139865 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)cc1)C(=O)C2 ZINC000261139875 KK Annotated Anodyne CC(=O)Oc1ccccc1CC[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12 ZINC000261140434 KK Annotated Anodyne CC(=O)Oc1ccccc1CC[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2([C@@H](C)OC(C)=O)COCC=C[C@H]12 ZINC000261140436 KK Annotated Anodyne Clc1ccccc1CN[C@@H]1[C@H]2N(Cc3ccccc3Cl)[C@H]3[C@H](N1Cc1ccccc1Cl)N(Cc1ccccc1Cl)[C@@]1(C[C@H]1N2Cc1ccccc1Cl)N3Cc1ccccc1Cl ZINC000261140457 KK Annotated Anodyne Clc1ccccc1CN[C@@H]1[C@@H]2N(Cc3ccccc3Cl)[C@H]3C[C@@]34N(Cc3ccccc3Cl)[C@H]([C@H](N2Cc2ccccc2Cl)N4Cc2ccccc2Cl)N1Cc1ccccc1Cl ZINC000261140459 KK Annotated Anodyne Clc1ccccc1CN[C@@H]1[C@H]2N(Cc3ccccc3Cl)[C@H]3[C@@H](N1Cc1ccccc1Cl)N(Cc1ccccc1Cl)[C@@]1(C[C@H]1N2Cc1ccccc1Cl)N3Cc1ccccc1Cl ZINC000261140461 KK Annotated Anodyne Clc1ccccc1CN[C@@H]1[C@@H]2N(Cc3ccccc3Cl)[C@H]3C[C@@]34N(Cc3ccccc3Cl)[C@@H]([C@H](N2Cc2ccccc2Cl)N4Cc2ccccc2Cl)N1Cc1ccccc1Cl ZINC000261140463 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261140934 KK Annotated Mild CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261140941 KK Annotated Mild CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261140948 KK Annotated Mild CCCCCCCCN(CCCCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261140955 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCN(C(=O)C(F)F)[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261140982 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)n(CCN3CCOCC3)c2C)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261141013 KK Annotated Mild CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCc5ccccc5)cc4F)cc3C2)cc1 ZINC000261141028 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C(=O)[C@@H]3CC[C@@H](N(C)C)CC3)cc1)C(=O)C2 ZINC000261141050 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCCC[C@@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261141599 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCCC[C@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261141600 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCCC[C@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261141601 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCCC[C@@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261141602 KK Annotated Anodyne COc1ncc(N(C(=O)c2cc(-c3cc(F)c(OC)cc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cn1 ZINC000261141603 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc3c(ccn3C)n2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261141607 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCC5CCCC5)cc4F)cc3C2)cc1 ZINC000261141653 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cn(C)c1C#N ZINC000261142135 KK Annotated Mild CC(C)(C)c1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)ccn1 ZINC000261142137 KK Annotated Anodyne CCN[C@@H]1CC[C@@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(O[C@H](C)CC)cc4[C@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000261142147 KK Annotated Anodyne CCN[C@@H]1CC[C@@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(O[C@H](C)CC)cc4[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000261142148 KK Annotated Anodyne COc1ncc(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cn1 ZINC000261142553 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3ccccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261142561 KK Annotated Mild CCO[C@@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261142573 KK Annotated Anodyne CCO[C@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261142577 KK Annotated Anodyne COCCNC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261142844 KK Annotated Anodyne COCCNC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261142848 KK Annotated Anodyne COCCNC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261142850 KK Annotated Anodyne COCCNC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261142853 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1CN1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000261142952 KK Annotated Anodyne COc1cc(-c2cc(C(=O)N(c3ccc(O)cc3)c3cnn(C)c3)c(C)n2C)c(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)cc1F ZINC000261143197 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261143322 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261143327 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn([C@H]3CCOC3)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C ZINC000261143450 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn([C@@H]3CCOC3)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CCCN2CCOCC2)n1C ZINC000261143801 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCN(C(=O)C4CC4)[C@@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261143901 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCN(C(=O)C4CC4)[C@@H](C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261143906 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCN(C(=O)C4CC4)[C@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261143910 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCN(C(=O)C4CC4)[C@H](C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261143915 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261143966 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261143968 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261143971 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261143972 KK Annotated Mild CCNC(=O)C1(Nc2nc(NCCc3ccc(Cl)c(Cl)c3)nc(N3C[C@H]4C[C@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000261144444 KK Annotated Anodyne COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cc(C#N)n(C)c3C)c(C)n2C)cc1F ZINC000261144514 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261145734 KK Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(O)CCC4)cc3F)n2)C[C@H]1N ZINC000261145868 KK Annotated Anodyne N#CCOc1cc(Cl)ccc1-c1nccc2cc(S(=O)(=O)N(OC(=O)C(F)(F)F)c3nccs3)ccc12 ZINC000261146730 KK Annotated Mild COc1cc(-c2cc(C(=O)N(c3ccc(O)cc3)c3cc(C#N)n(C)c3C)c(C)n2C)c(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)cc1F ZINC000261146752 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(c2)CCN3C)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261146762 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(CNC(=O)COc3ccccc3)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261146764 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000261146773 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000261146774 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccc(Br)cc3)nc(N3C[C@H]4C[C@H]3CN4S(=O)(=O)c3ccccc3OC(F)(F)F)n2)Cc2ccccc2C1 ZINC000261146808 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCSC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261146812 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCSC[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261146813 KK Annotated Anodyne C=CCCC(=O)ON=C1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(=C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000261147383 KK Annotated Mild CC(=O)Nc1nc2c(s1)-c1c(c(C3CC3)nn1C1CCC(C(=O)N[C@@H]3CC[C@@H](N4CCCC4)CC3)CC1)CC2 ZINC000261147815 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N(C)Cc3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261147850 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](NC(=O)c4cocn4)CC3)cc1)C(=O)C2 ZINC000261148321 KK Annotated Anodyne C[C@@H]1CC[C@@H]([C@@H](C)n2c(N3CCOC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261148388 KK Annotated Anodyne C[C@@H]1CC[C@@H]([C@H](C)n2c(N3CCOC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261148390 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)C4(F)CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261148405 KK Annotated Anodyne COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(Nc3ccccc3)ccc2c1O ZINC000261148409 KK Annotated Clean CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCOC[C@@H]5CCCCO5)cc4F)ccc3C2)cc1 ZINC000261148923 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCOC[C@H]5CCCCO5)cc4F)ccc3C2)cc1 ZINC000261148927 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C(C)=O)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261149381 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C(C)=O)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261149382 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@@H](C)N(C(C)=O)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261149383 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc([C@H](C)N(C(C)=O)[C@@H]3CC[C@H](N(C)C)CC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261149384 KK Annotated Anodyne C/C=C\CCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261149400 KK Annotated Anodyne Cc1cc2nc(O)c3cnn(C4CCC(F)(F)CC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1 ZINC000261149409 KK Annotated Anodyne COC(C)(C)[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261149447 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c([C@H](OCC(F)(F)F)c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261149882 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c([C@@H](OCC(F)(F)F)c3ccccn3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261149885 KK Annotated Anodyne Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2cc(CNC(=O)Oc3ccccc3)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261149951 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN3CCOC[C@@H]3C2)n1C ZINC000261150435 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN3CCOC[C@H]3C2)n1C ZINC000261150436 KK Annotated Anodyne CCOC[C@@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261150509 KK Annotated Anodyne CCOC[C@H](C)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261150510 KK Annotated Anodyne CC[C@@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000261150957 KK Annotated Mild CC[C@@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000261150958 KK Annotated Mild CC[C@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000261150959 KK Annotated Mild CC[C@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C[C@@H]1CC[C@@H](CC(=O)O)CC1 ZINC000261150960 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2C(F)(F)F)n1C ZINC000261151033 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@@H]2C(F)(F)F)n1C ZINC000261151034 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cccc(F)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261151040 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1n1ccnn1 ZINC000261151523 KK Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@@H]1n1ccccc1=O ZINC000261152125 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1n1ccccc1=O ZINC000261152126 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CN(Cc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261152145 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCS(=O)(=O)c5ccccc5)cc4F)ccc3C2)cc1 ZINC000261152757 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000261152763 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O ZINC000261152764 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)n(C)c2)cc(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261152853 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(cnn3C)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261153277 KK Annotated Anodyne CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4[nH]ccc4c3)cn2C)CC1 ZINC000261153296 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261153338 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261153341 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261153344 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261153347 KK Annotated Anodyne O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261153371 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261153386 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261153394 KK Annotated Mild O=C([C@@H]1C[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261153400 KK Annotated Mild CNc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@@H]4CCC[C@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261153446 KK Annotated Anodyne CC[C@H]1C[C@@H]2CN3CCc4c([nH]c5cc([C@H]6C[C@@H]7[C@H](CC)CN(C)[C@@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)ccc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000261153466 KK Annotated Anodyne CC(C)C[C@@H](/N=C(/O)[C@@H](Cc1ccc(OP(=O)(O)O)cc1)/N=C(/O)CCc1ccccc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1/C(O)=N/[C@H](CCC(=N)O)/C(O)=N/Cc1ccccc1 ZINC000261153838 KK Annotated Mild CCOC(=O)NC(=S)Nc1ccc(C(c2c[nH]c3ccc(Cl)cc23)c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000261154132 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1cnc(N(C)C[C@@H]3CC[C@@H](N4CCN(C)C(=O)C4)CC3)cn1)C(=O)C2 ZINC000261154174 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(c2)CCN3C)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261154314 KK Annotated Anodyne Cc1cccc(-c2nc(-c3noc(=O)[nH]3)cc3nc(N4CCOC[C@H]4c4ccccc4)n(C[C@@H]4CC[C@@H](C)CC4)c23)c1 ZINC000261154864 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CF)CC[C@H]3CO[C@@H]3CC[C@@H](C(=O)O)CC3)c(F)c2o1 ZINC000261155236 KK Annotated Anodyne CO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261155285 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCOCC1 ZINC000261155815 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CCOCC1 ZINC000261155822 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2ccccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261156414 KK Annotated Anodyne Cc1cccc2c(C(c3ccc(NC(=S)Nc4ccccc4)cc3)c3c[nH]c4c(C)cccc34)c[nH]c12 ZINC000261156416 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CN3CCCO3)c(F)c2o1 ZINC000261156448 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCN(C)C(=O)C4)CC3)cn1)C(=O)C2 ZINC000261157035 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCc5ccccc5)cc4F)ccc3C2)cn1 ZINC000261157475 KK Annotated Anodyne CC[C@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261157577 KK Annotated Anodyne CC[C@@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261157581 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261158042 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@H](C)O[C@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261158043 KK Annotated Anodyne COC[C@@](C)(F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261158748 KK Annotated Anodyne COC[C@](C)(F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261158750 KK Annotated Anodyne CC[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261158819 KK Annotated Anodyne CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261159312 KK Annotated Mild CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261159318 KK Annotated Mild CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261159323 KK Annotated Mild CCCCCCCCO/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261159327 KK Annotated Mild CCCC[C@H]1C(=O)N(C[C@@H]2CC[C@@H](OCC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000261159331 KK Annotated Anodyne CCCC[C@@H]1C(=O)N(C[C@@H]2CC[C@@H](OCC)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000261159334 KK Annotated Anodyne Cc1cc(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)no1 ZINC000261159857 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)[C@H]4CC4(F)F)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261159943 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)[C@@H]4CC4(F)F)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261159945 KK Annotated Anodyne COC[C@H](c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261161029 KK Annotated Anodyne COC[C@@H](c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261161032 KK Annotated Anodyne Nc1ncc(-c2cnn([C@@H]3CC[C@@H](O)CC3)c2)c2c(-c3cncs3)c(-c3cccc4nnsc34)oc12 ZINC000261161073 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1n1cc(C2CC2)nn1 ZINC000261161122 KK Annotated Anodyne CCO[C@@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261161609 KK Annotated Anodyne CCO[C@H](c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261161610 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]3c3nccs3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261161861 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3c3nccs3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261161863 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCC[C@H]5CCOC[C@@H]5F)cc4F)ccc3C2)cc1 ZINC000261162190 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCC[C@H]5CCOC[C@H]5F)cc4F)ccc3C2)cc1 ZINC000261162192 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c([C@@H](O)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162214 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c([C@H](O)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162219 KK Annotated Anodyne Cn1c(Cc2c(Cl)ccc(C/N=C(/O)C(C)(C)C)c2Cl)nc2cc(/C(O)=N/C3CCC(F)(F)CC3)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000261162292 KK Annotated Mild COc1cccc2cc(-c3csc(NC(=O)Nc4ccc(I)cc4)n3)c(=O)oc12 ZINC000261162306 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCOC(C)(C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162320 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCOC(C)(C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162321 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000261162445 KK Annotated Mild CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc(Cl)cc2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4c(ccn4C)c3)cn2C2CC2)CC1 ZINC000261162788 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162819 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCC[C@@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162820 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162821 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCC[C@H]43)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261162822 KK Annotated Anodyne C=C(C)c1cn([C@H]2[C@@H](C)C[C@@H](c3ccncc3NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C[C@H]2N)nn1 ZINC000261163293 KK Annotated Mild Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCN(C)CC2)n1C ZINC000261163336 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)n(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261163491 KK Annotated Mild COc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)c(F)c3)c3cnn(C)c3)c(C)n2C)c1 ZINC000261163900 KK Annotated Anodyne COc1ccccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1F ZINC000261163941 KK Annotated Anodyne COc1ccccc1-n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@@H]2c1ccc(Cl)cc1F ZINC000261163946 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@H]3CCCNC3)cc1)[C@H]2c1ccc(Cl)cc1 ZINC000261164345 KK Annotated Anodyne CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@H]3CCCNC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000261164347 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000261164356 KK Annotated Anodyne C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)[C@@H]1Oc1ccccn1 ZINC000261164502 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@@H](N)[C@H]1Oc1ccccn1 ZINC000261164505 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CN3CCOCC3)c(F)c2o1 ZINC000261164765 KK Annotated Anodyne COc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@H]4CCC[C@@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261164769 KK Annotated Anodyne COc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@@H]4CCC[C@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261164770 KK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000261164776 KK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)CC1 ZINC000261164852 KK Annotated Anodyne CC[C@@H]1[C@@H](C)OCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261165246 KK Annotated Anodyne CO[C@H]1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261165247 KK Annotated Anodyne CO[C@@H]1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261165248 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](NS(C)(=O)=O)CC3)cc1)C(=O)C2 ZINC000261165290 KK Annotated Anodyne COC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000261165350 KK Annotated Anodyne COC(=O)C1=CC[C@@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261165353 KK Annotated Anodyne COC(=O)C1=CC[C@H](c2ccc(C)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000261165356 KK Annotated Anodyne C#Cc1cccc(N[C@@H]2C[C@H](O)[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@H]2O)c1 ZINC000261165381 KK Annotated Mild Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cnn1C ZINC000261165732 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnc(-c3ccc(Cl)cc3)s1)C2 ZINC000261165823 KK Annotated Anodyne CO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2[C@H](C)[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261166209 KK Annotated Anodyne CO[C@@H]1C[C@@H](CF)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2[C@@H](C)[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261166210 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4COC4)cc3F)n2)C[C@@H](N)[C@H]1OCCC#N ZINC000261166250 KK Annotated Mild Cc1nonc1[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261166860 KK Annotated Anodyne Cc1nonc1[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261166861 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3CF)nc3cc(-c4nc(=O)n(C)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261166910 KK Annotated Anodyne CCN1CN([C@@H]2CC[C@@H](CN(C)c3ccc(N4C(=O)Cc5cc(OC)c(OC(C)C)cc5[C@@H]4c4ccc(Cl)cc4)cn3)CC2)CC1=O ZINC000261167332 KK Annotated Anodyne CO[C@@H]1C[C@@H]2CC[C@H](C1)N2c1nc(-c2c(C)ccc3[nH]nc(C)c23)nc2c1CN(c1cc(C(C)C)ccc1C)CC2 ZINC000261167822 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnccn2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261167842 KK Annotated Anodyne CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261167923 KK Annotated Mild CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261167925 KK Annotated Mild CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261167926 KK Annotated Mild CCCN(CCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261167929 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]4COCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168204 KK Annotated Anodyne CC1CCC(Cn2c(N3CCC[C@@H]4COCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168206 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]4COCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168208 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]4COCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168209 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]4COCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168211 KK Annotated Anodyne CC1CCC(Cn2c(N3CCC[C@H]4COCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168213 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@](C)(F)c3ccncc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168237 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@@](C)(F)c3ccncc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168238 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261168374 KK Annotated Anodyne S=C(Nc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1)Nc1cc(Cl)ccc1Cl ZINC000261168605 KK Annotated Anodyne CCCCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261168647 KK Annotated Mild O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1ccc(OCC(F)(F)F)nc1)C2 ZINC000261168657 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261169300 KK Annotated Anodyne Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2cc(CCNS(=O)(=O)CCc3ccc(F)cc3)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261169725 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CC(F)(F)C[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261169862 KK Annotated Anodyne COc1cc2c(cc1OC[C@@H]1CCCO1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)nc1)C(=O)C2 ZINC000261170515 KK Annotated Anodyne COc1cc2c(cc1OC[C@H]1CCCO1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)nc1)C(=O)C2 ZINC000261170519 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ccc(C(C)(C)CO)cc2)C3)c(F)c1 ZINC000261170691 KK Annotated Anodyne COCCO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)C1 ZINC000261171209 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261171217 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3CN(C)C)c(F)c2o1 ZINC000261171221 KK Annotated Anodyne Cc1nn(C)cc1N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1 ZINC000261171340 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C(C)C)C4)CC3)cn1)C(=O)C2 ZINC000261171409 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCCc5ccccc5)cc4F)cc3C2)cc1 ZINC000261172263 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261172403 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261172405 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261172406 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@H]4CCCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261172408 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261173002 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnc(C(F)(F)F)nc1)C2 ZINC000261173023 KK Annotated Anodyne CCC[C@@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261173050 KK Annotated Anodyne CCC[C@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261173051 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC4CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1OCCC#N ZINC000261173063 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261173109 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261173111 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261173113 KK Annotated Mild CCCCCN(CCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000261173114 KK Annotated Mild Cc1nn(C)cc1N(C(=O)c1cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n(C)c1C)c1ccc(O)cc1 ZINC000261173525 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCCC34CCC4)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261173543 KK Annotated Anodyne Cc1c(-c2noc(=O)[nH]2)nc(-c2cncc(Cl)c2)c2c1nc(N1CCO[C@@H]3CCC[C@H]31)n2C[C@@H]1CC[C@@H](C)CC1 ZINC000261173584 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@](O)(C[C@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000261173985 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2[C@@](C)(CC[C@@H]3[C@](O)(C[C@H](C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@@]32C)[C@H]2C=CCOC[C@]2([C@@H](C)OC(C)=O)[C@H]1OC(C)=O ZINC000261173986 KK Annotated Anodyne Cc1noc([C@@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)n1 ZINC000261174357 KK Annotated Anodyne Cc1noc([C@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)n1 ZINC000261174360 KK Annotated Anodyne Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)COC(C)(C)C)cc1 ZINC000261174383 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@@H](N)[C@H]1OCCS(C)(=O)=O ZINC000261174446 KK Annotated Anodyne CCN(C)C(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261174485 KK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2CCCCC2=O)CC1 ZINC000261174486 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F ZINC000261174806 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F ZINC000261174808 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@H]3C(C)(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261174814 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCC[C@@H]3C(C)(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261174816 KK Annotated Anodyne COC[C@@](O)(c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261174929 KK Annotated Anodyne COC[C@](O)(c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261174931 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@H](C)c3ccc(Br)cc3)nc(N3C[C@H]4C[C@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000261175311 KK Annotated Anodyne CCNC(=O)C1(Nc2nc(N[C@@H](C)c3ccc(Br)cc3)nc(N3C[C@H]4C[C@H]3CN4C(=O)c3cccc(C(F)(F)F)c3)n2)Cc2ccccc2C1 ZINC000261175312 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc(F)c(C#N)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261175327 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(C)C)CC3)cc1)C(=O)C2 ZINC000261175343 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)c(F)c2)c2cnn(C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261175374 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCNC(=O)C4)CC3)cc1OC)C(=O)C2 ZINC000261175772 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCN(C(=O)C4CCC4)[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261175843 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3cc(F)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cnn1C ZINC000261175868 KK Annotated Anodyne CC(C)[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261176186 KK Annotated Anodyne CC(C)[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261176190 KK Annotated Anodyne CCOCc1cc(F)c(-c2nc(C(=O)Nc3cnccc3[C@@H]3C[C@H](C)[C@H](n4ccnn4)[C@H](N)C3)ccc2F)c(F)c1 ZINC000261176252 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc3ccn(C)c3cn2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261176365 KK Annotated Anodyne Cn1nnc([C@]2(F)C[C@@]3(c4ccccc4)N[C@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000261176569 KK Annotated Mild Cn1nnc([C@@]2(F)C[C@@]3(c4ccccc4)N[C@H]2CC[C@@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000261176570 KK Annotated Mild CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCCCc5ccccc5)cc4F)ccc3C2)cc1 ZINC000261176637 KK Annotated Anodyne Cc1cc(Cl)ccc1[C@@H]1c2c(nn(Cc3cc(O)nc4c(C#N)cnn34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000261177058 KK Annotated Mild Cc1cc(Cl)ccc1[C@H]1c2c(nn(Cc3cc(O)nc4c(C#N)cnn34)c2C(C)C)C(=O)N1c1cccc(Cl)c1F ZINC000261177059 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3[C@H](C)CN(C(=O)C(F)F)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261177423 KK Annotated Anodyne COc1cc2c(cc1OC1CCC1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)nc1)C(=O)C2 ZINC000261177879 KK Annotated Anodyne CCn1nccc1[C@@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261177989 KK Annotated Anodyne CCn1nccc1[C@H]1CCCN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261177990 KK Annotated Anodyne C[C@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCC4CCOCC4)cc3F)ccc2C1 ZINC000261178419 KK Annotated Anodyne C[C@@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCC4CCOCC4)cc3F)ccc2C1 ZINC000261178422 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCC5CCCC5)cc4F)cc3C2)cc1 ZINC000261178426 KK Annotated Anodyne COC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(OC(C)C)cc3F)n2)C[C@H]1N ZINC000261178745 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CC[C@@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178757 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CC[C@H](C)[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178762 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CC[C@H](C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178766 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CC[C@@H](C)[C@@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178770 KK Annotated Anodyne CCO[C@H](c1cccnc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261178806 KK Annotated Anodyne CCO[C@@H](c1cccnc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261178811 KK Annotated Anodyne Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261178824 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cccc(Cl)c4)c32)CC1 ZINC000261178862 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cccc(C#N)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261178875 KK Annotated Mild Cc1c(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCOCC3)OCCO4)n(C)c2C)c2ccc(O)cc2)cc(C#N)n1C ZINC000261178912 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@@H]4CCCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178943 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H]4CCCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178946 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@@H]4CCCC[C@@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178947 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)O[C@H]4CCCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261178949 KK Annotated Anodyne O=C(Nc1ccc(I)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 ZINC000261179178 KK Annotated Bother CC(C)(C)n1cc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000261179292 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(NCc3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261179674 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCOc5cccc(Cl)c5)cc4F)cc3C2)cc1 ZINC000261179702 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261179753 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261179755 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261179757 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)CN(Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261179759 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c(N(C)CC(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261179775 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCOC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000261179901 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(Cc2cnc(C(C)(C)C)s2)C3)c(F)c1 ZINC000261179910 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(Nc3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261179966 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(C(=O)c3ccccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261180080 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261180088 KK Annotated Anodyne CC(C)n1cc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000261180103 KK Annotated Anodyne CCn1cc(C(=O)N(c2ccc(O)cc2)c2ccc3c(ccn3C)c2)cc1-c1cc(Cl)ccc1C(=O)N1Cc2ccccc2C[C@H]1CN1CCN(C)CC1 ZINC000261180107 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCN(C)C(=O)C4)CC3)nc1)C(=O)C2 ZINC000261180514 KK Annotated Anodyne CC(C)C(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261180586 KK Annotated Anodyne Cc1ccc(F)cc1Nc1nc2ccc(CC(=O)N3[C@H](CO[C@@H]4CC[C@@H](C(=O)O)CC4)CC[C@H]3C)c(F)c2o1 ZINC000261180622 KK Annotated Anodyne CC(=O)N(CCCN=c1c2ccccc2nc2n1CCCCCC2)CCC/N=c1\c2ccccc2nc2n1CCCCCC2 ZINC000261181411 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCCCc5ccccc5)cc4F)ccc3C2)cc1 ZINC000261181872 KK Annotated Anodyne C[C@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCC4CCCCC4)cc3F)ccc2C1 ZINC000261181988 KK Annotated Anodyne C[C@@H](Cc1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCC4CCCCC4)cc3F)ccc2C1 ZINC000261181989 KK Annotated Anodyne COC(=O)CCC(C(=O)/C=C/c1ccc(O)c(C(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(C(F)(F)F)c1 ZINC000261182379 KK Annotated Mild O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(C(c3c[nH]c4ccc(Cl)cc34)c3c[nH]c4ccc(Cl)cc34)cc2)cc1 ZINC000261182453 KK Annotated Bother C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@H](c1ccccc1F)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261182740 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@H](c1ccccc1F)[C@@H](c1ccccc1)N[C@]21C(=O)Nc2ccccc21 ZINC000261182741 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261182782 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261182785 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261182788 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261182789 KK Annotated Mild C[C@@H]1CC[C@@H](Cn2c([C@H](C)c3ncccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261182836 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c([C@@H](C)c3ncccc3F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261182838 KK Annotated Anodyne CCCNC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261183201 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(OCCCCCc5ccccc5)cc4F)cc3C2)cc1 ZINC000261183728 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4C[C@@H](F)C[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261183753 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4C[C@H](F)C[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261183754 KK Annotated Anodyne C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@H]5CC=C[C@H]4O[C@H]3C[C@H]2O1 ZINC000261183760 KK Annotated Reactive CCNC(=O)NCc1ccc(-c2cc(C(=O)N(C)c3ccc(O)cc3)c(C)n2C)c(C(=O)N2Cc3ccccc3C[C@H]2C)c1 ZINC000261183784 KK Annotated Anodyne CCO[C@@H](c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261183789 KK Annotated Anodyne CCO[C@H](c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261183790 KK Annotated Anodyne COC(=O)N[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@H]1N ZINC000261184025 KK Annotated Anodyne CN(C)C(=O)CCC(C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1)C(=O)/C=C/c1ccc(O)c(OC(F)(F)F)c1 ZINC000261184448 KK Annotated Mild COc1cc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(-c2cc(C(=O)N(c3ccc(O)cc3)c3cnc4c(c3)CCN4C)c(C)n2C)cc1F ZINC000261184505 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NOC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000261184550 KK Annotated Mild Cc1ccc([C@H]2CC=C(CBr)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261184737 KK Annotated Reactive Cc1ccc([C@@H]2CC=C(CBr)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261184738 KK Annotated Reactive Cc1ccc([C@@H]2CC=C(CBr)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261184739 KK Annotated Reactive Cc1ccc([C@H]2CC=C(CBr)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000261184740 KK Annotated Reactive Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261184764 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=NOC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000261184777 KK Annotated Mild C[C@H]1CC[C@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cc(Cl)cnc4O)c32)CC1 ZINC000261184789 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)OC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261185105 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@H](C)OC[C@@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261185106 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@@H](C)OC[C@@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261185107 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3C[C@H](C)OC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261185108 KK Annotated Anodyne CCO[C@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261185134 KK Annotated Anodyne CCO[C@@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261185135 KK Annotated Anodyne CCO[C@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261185136 KK Annotated Anodyne CCO[C@@H](COC)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261185137 KK Annotated Anodyne COc1ncc(N(C(=O)c2cc(-c3cc(F)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2C)c2ccc(O)cc2)cn1 ZINC000261185145 KK Annotated Anodyne COCCOc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@H]4CCC[C@@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261185409 KK Annotated Anodyne COCCOc1ncc(Cl)cc1-c1nc(-c2noc(=O)[nH]2)cc2nc(N3CCO[C@@H]4CCC[C@H]43)n(C[C@@H]3CC[C@@H](C)CC3)c12 ZINC000261185410 KK Annotated Anodyne CCN(C[C@@H]1CC[C@@H](N(C)C)CC1)c1ccc(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000261185434 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261185737 KK Annotated Anodyne CCn1c(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)cc(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)c1C ZINC000261185752 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnn([C@H]3CCOC3)c2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261185758 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261185774 KK Annotated Anodyne Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O ZINC000261185791 KK Annotated Reactive Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@@]3(C)C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O ZINC000261185792 KK Annotated Reactive Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O ZINC000261185793 KK Annotated Reactive CNC(=O)CN[C@@H]1CC[C@@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(OC(C)C)cc4[C@@H]3c3ccc(Cl)cc3)nc2)CC1 ZINC000261186333 KK Annotated Anodyne C=C(c1ccccc1)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1C[C@@H]1CC[C@@H](C)CC1 ZINC000261186375 KK Annotated Anodyne CC(C)[C@H](C[C@H]1CC[C@@H](NCc2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000261187232 KK Annotated Anodyne CCN(c1cc(-c2ccc(OCCOC)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000261187903 KK Annotated Anodyne CCCCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN(CCc2ncc(C(C)(C)C)cn2)C3)c(F)c1 ZINC000261187904 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(OCCC5CCOCC5)cc4F)ccc3C2)cc1 ZINC000261187929 KK Annotated Anodyne CCC(=O)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)[C@H](C)C1 ZINC000261188252 KK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)CN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261188267 KK Annotated Anodyne CC(C)[C@@H]1C[C@@H](O)CN1c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1 ZINC000261188268 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3C(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261188659 KK Annotated Anodyne CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000261188727 KK Annotated Mild CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261188728 KK Annotated Mild CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC[C@@]4(C)[C@H]3CC[C@@]21C ZINC000261188730 KK Annotated Mild CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC(=O)C(F)(F)C(F)(F)F)CC[C@@]4(C)[C@H]3CC[C@]21C ZINC000261188732 KK Annotated Mild COCCc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(c2)CCN3C)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261188738 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc(F)cc2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261188962 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)ccn2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261189279 KK Annotated Mild Cc1ccc(N(C(=O)c2cc(-c3cc4c(cc3C(=O)N3Cc5ccccc5C[C@H]3CN3CCOCC3)OCO4)n(C)c2C)c2ccc(O)cc2)cc1F ZINC000261189587 KK Annotated Anodyne COC[C@@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000261189891 KK Annotated Anodyne COC[C@H]1CC[C@@H](CO[C@@H]2CC[C@@H](C(=O)O)CC2)N1C(=O)Cc1ccc2nc(Nc3cc(F)ccc3C)oc2c1F ZINC000261189892 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cc3ccn(C)c3cn2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261189931 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2cnc3c(ccn3C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCN(C)CC2)OCO3)n1C ZINC000261189933 KK Annotated Anodyne CC(C)(C)c1cnc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000261189949 KK Annotated Anodyne Cc1c(C(=O)N(c2ccc(O)cc2)c2ccc3c(ccn3C)c2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CN2CCOCC2)OCO3)n1C ZINC000261190192 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCc5ccccc5)cc4F)ccc3C2)cn1 ZINC000261190222 KK Annotated Anodyne COc1cc(F)cc(F)c1NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 ZINC000261190228 KK Annotated Anodyne CC(C)(C)c1ccc(C2(N3CCc4cc(S(=O)(=O)Nc5ccc(CCCC6CCCC6)cc5F)ccc4C3)CC2)cn1 ZINC000261190550 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@H](Nc4nccc(NC[C@H]5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C ZINC000261190552 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3C(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261190729 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@@H]3C(F)(F)F)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261190730 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CCCNC(=O)C4)CC3)cc1)C(=O)C2 ZINC000261190769 KK Annotated Anodyne Cc1nc([C@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)cs1 ZINC000261190801 KK Annotated Anodyne Cc1nc([C@@H]2CCCN2c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2C[C@@H]2CC[C@@H](C)CC2)cs1 ZINC000261190802 KK Annotated Anodyne CO[C@@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cc(C4(F)CCOCC4)cc3F)n2)C[C@H]1N ZINC000261190833 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(O[C@@H](C)C4CCC4)c32)CC1 ZINC000261191033 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(O[C@H](C)C4CCC4)c32)CC1 ZINC000261191034 KK Annotated Anodyne C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@]2(C1)[C@H](c1ccccc1OC)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261191067 KK Annotated Mild C=CC(=O)N1C/C(=C\c2ccccc2OC)C(=O)[C@]2(C1)[C@H](c1ccccc1OC)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000261191068 KK Annotated Mild Cc1c(N(C(=O)c2cc(-c3cc(Cl)ccc3C(=O)N3Cc4ccccc4C[C@H]3CN3CCOCC3)n(C)c2)c2ccc(O)cc2)cc(C#N)n1C ZINC000261191092 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@]7(CCN(CC)C7)C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000261191095 KK Annotated Mild C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC[C@@]7(CCN(CC)C7)C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC000261191096 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000261191406 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000261191407 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000261191408 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(ccc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000261191409 KK Annotated Anodyne C[C@@]1(O)CC[C@@H](Nc2cc(N3CC[C@@H](F)C3)nc3cc(-c4nc5ccccc5nc4C(F)(F)F)nn23)CC1 ZINC000261191439 KK Annotated Anodyne CC[C@H](C[C@H](C)C(=O)O)C(=O)CC/C1=C/[C@H](C)C/C(C)=C/[C@H](C)[C@H](O)[C@H](C)CC[C@H](CCCC/C=C/[C@H](C)CC[C@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@H](C(=O)O)CC(=O)OC1 ZINC000261191456 KK Annotated Anodyne in-vivo CC[C@H](C[C@H](C)C(=O)O)C(=O)CC/C1=C/[C@H](C)C/C(C)=C/[C@H](C)[C@H](O)[C@H](C)CC[C@H](CCCC/C=C/[C@H](C)CC[C@H](C)OC(=O)C[C@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](C(=O)O)CC(=O)OC1 ZINC000261191457 KK Annotated Anodyne in-vivo CC[C@H](C[C@H](C)C(=O)O)C(=O)CC/C1=C/[C@H](C)C/C(C)=C/[C@H](C)[C@H](O)[C@H](C)CC[C@H](CCCC/C=C/[C@H](C)CC[C@H](C)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](C(=O)O)CC(=O)OC1 ZINC000261191458 KK Annotated Anodyne in-vivo CC[C@H](C[C@H](C)C(=O)O)C(=O)CC/C1=C/[C@H](C)C/C(C)=C/[C@H](C)[C@H](O)[C@H](C)CC[C@H](CCCC/C=C/[C@H](C)CC[C@H](C)OC(=O)C[C@H](CC(=O)O)C(=O)O)OC(=O)C[C@H](C(=O)O)CC(=O)OC1 ZINC000261191459 KK Annotated Anodyne in-vivo CC(C)(C)c1ccc(CN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCCCc5ccccc5)cc4F)ccc3C2)cn1 ZINC000261191464 KK Annotated Anodyne C[C@H](c1cnc(C(C)(C)C)nc1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000261191474 KK Annotated Anodyne C[C@@H](c1cnc(C(C)(C)C)nc1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000261191475 KK Annotated Anodyne C[C@H]1CC[C@H](Cn2c(N3CCC[C@H]3C(F)(F)F)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000261191720 KK Annotated Anodyne C[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[nH]4)nc(-c4cc(Cl)cnc4N(C)C)c32)CC1 ZINC000261191766 KK Annotated Anodyne CC(=O)CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000261191971 KK Annotated Anodyne CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCOCC(F)(F)F)cc4F)ccc3C2)cc1 ZINC000261192388 KK Annotated Anodyne Cc1cccc2c(C(c3ccc(NC(=S)Nc4cc(Cl)ccc4Cl)cc3)c3c[nH]c4c(C)cccc34)c[nH]c12 ZINC000261192480 KK Annotated Anodyne Cc1c(C(=O)N(C)c2ccc(O)cc2)cc(-c2ccc(CNC(=O)Oc3ccccc3)cc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C ZINC000261192656 KK Annotated Anodyne CCON(c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@H](C)[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261192728 KK Annotated Anodyne CCON(c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1[C@@H](C)[C@@H]1CC[C@@H](C)CC1)C1CC1 ZINC000261192730 KK Annotated Anodyne CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN([C@H]2C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C2)C[C@@H]1C ZINC000261192967 KK Annotated Anodyne CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN([C@@H]2C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C2)C[C@@H]1C ZINC000261192968 KK Annotated Anodyne O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1ccc(C(F)(F)F)nc1)C2 ZINC000261193019 KK Annotated Anodyne CCCCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN([C@H](C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261193213 KK Annotated Mild CCCCCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN([C@@H](C)Cc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000261193214 KK Annotated Mild O=C(c1cnc2[nH]c(-c3n[nH]c4cc(-c5cc(F)c(O)cc5CC(F)(F)F)ccc34)nc2c1)c1cnc(N2CCCCC2)cn1 ZINC000261193246 KK Annotated Anodyne CC(C)(C)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cc1 ZINC000261193293 KK Annotated Anodyne Cc1c(C(=O)N(c2ccncc2)c2ccc(O)cc2)cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C ZINC000261193295 KK Annotated Anodyne CCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O[C@H]1[C@H](O)[C@H](OC)[C@H](OC/C2=C\C=C\C[C@H](O)/C(C)=C/[C@H](CC)[C@@H](O[C@@H]3OC(C)(C)[C@@H](O)[C@H](O)[C@@H]3O)/C(C)=C/C(C)=C/C[C@@H]([C@@H](C)O)OC2=O)O[C@@H]1C ZINC000261494615 KK Annotated Anodyne CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)/N=C(\O)[C@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261495394 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261495395 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261495396 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)NC)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261495397 KK Annotated Mild in-man endogenous CC(=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)/C=C/[C@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000261497800 KK Annotated Mild in-man endogenous CC(=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)/C=C/[C@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000261497801 KK Annotated Mild in-man endogenous CC1=CCCC(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@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000261497993 KK Annotated Bother in-man endogenous CC1=CCCC(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@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000261497994 KK Annotated Bother in-man endogenous CO[C@H](C)[C@@H]1C[C@H](C)[C@H]([C@H](C)/C=C\[C@@H]2CC[C@H](C)[C@H](/C(=C/[C@@H]3CCC[C@H](C)[C@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000261499228 KK Annotated Mild in-man endogenous CO[C@H](C)[C@@H]1C[C@H](C)[C@H]([C@H](C)/C=C\[C@@H]2CC[C@H](C)[C@H](/C(=C/[C@@H]3CCC[C@H](C)[C@@H]3[C@@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000261499229 KK Annotated Mild in-man endogenous CO[C@H](C)[C@@H]1C[C@H](C)[C@H]([C@H](C)/C=C\[C@@H]2CC[C@H](C)[C@H](/C(=C/[C@@H]3CCC[C@H](C)[C@@H]3[C@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000261499230 KK Annotated Mild in-man endogenous CO[C@H](C)[C@@H]1C[C@H](C)[C@H]([C@H](C)/C=C\[C@@H]2CC[C@H](C)[C@H](/C(=C/[C@@H]3CCC[C@H](C)[C@H]3[C@H](C)/C(O)=C3\C(=O)COC3=O)CO)O2)O1 ZINC000261499231 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@H](Cc2ccccc2)/N=C(\O)[C@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499270 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@@H](Cc2ccccc2)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499271 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@H](Cc2ccccc2)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499272 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@@H](Cc2ccccc2)/N=C(\O)[C@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499273 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)/N=C(\O)[C@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499377 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499378 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499379 KK Annotated Mild in-man endogenous CC[C@H](C)[C@@H]1/N=C(\O)[C@@H]2[C@H](CCN2C(=O)[C@H](CC(C)C)/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/N=C\1O ZINC000261499380 KK Annotated Mild in-man endogenous CC(=O)O[C@@H]1CC(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)C[C@]23O[C@]2(C)C[C@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000261499695 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(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)C[C@]23O[C@]2(C)C[C@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000261499696 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(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)C[C@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000261499697 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(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)C[C@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@@](C)(O)C1 ZINC000261499698 KK Annotated Mild in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261499821 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261499822 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261499823 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261499824 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261502262 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261502263 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261502264 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000261502265 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@]3(O[C@@H](C[C@@H](C)O)[C@@H](C)CC3=O)O[C@@H](CC1)[C@H]2C ZINC000261504148 KK Annotated Anodyne CO[C@H]1[C@@H](C)[C@@H]([C@H](C)[C@H]2O[C@@]3(CC[C@@](C)([C@H]4CC[C@@](C)([C@@H]5O[C@@H]([C@H]6O[C@](C)(O)[C@H](C)C[C@@H]6C)C[C@@H]5C)O4)O3)C[C@H](O)[C@H]2C)O[C@@](O)([C@H](C)C(=O)O)[C@@H]1C ZINC000261505608 KK Annotated Anodyne CCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@H](C)/C=C/C(=O)O)O2)O1 ZINC000261505893 KK Annotated Anodyne CC[N+](C)(CC)CCCOC(=O)[C@H]1[C@H](c2ccccc2)[C@H](C(=O)OCCC[N+](C)(CC)CC)[C@H]1c1ccccc1 ZINC000261506585 KK Annotated Bother CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O[C@H]1C[C@@H](OC)[C@@H](O)[C@H](C)O1 ZINC000261506648 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000261506665 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000261506666 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000261506667 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261506681 KK Annotated Anodyne CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=N)O)[C@@H]4CCC(=O)O)[C@@](C)(CC(N)=O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000261515325 KK Annotated Anodyne CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000261515714 KK Annotated Anodyne CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000261515715 KK Annotated Anodyne CCN(CC)C(=O)Cc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000261515716 KK Annotated Anodyne C[C@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000261515784 KK Annotated Anodyne C[C@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=C[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C ZINC000261515785 KK Annotated Anodyne C[C@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000261515786 KK Annotated Anodyne C[C@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C=C[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]21C ZINC000261515787 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261515792 KK Annotated Anodyne C[C@H](CC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O)[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 ZINC000261515807 KK Annotated Anodyne C[C@H](CC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O)[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 ZINC000261515808 KK Annotated Anodyne C[C@H](CC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O)[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 ZINC000261515809 KK Annotated Anodyne C[C@H](CC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O)[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 ZINC000261515810 KK Annotated Anodyne C[C@@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261515817 KK Annotated Anodyne C[C@@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261515818 KK Annotated Anodyne C[C@@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261515819 KK Annotated Anodyne C[C@@H](CC[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261515820 KK Annotated Anodyne CC(=O)C[C@@H]1C(=O)[C@@]2(C)[C@@H](CC[C@H]3/C(=C(\CCC=C(C)C)C(=O)O)[C@@H](OC(C)=O)C[C@@]32C)[C@@]2(C)CCC(=O)[C@@H](C)[C@H]12 ZINC000261516195 KK Annotated Anodyne C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCCCC1CCCCC1)[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 ZINC000261516921 KK Annotated Anodyne C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCCCC1CCCCC1)[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 ZINC000261516922 KK Annotated Anodyne C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCCCC1CCCCC1)[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 ZINC000261516923 KK Annotated Anodyne C[C@@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCCCC1CCCCC1)[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 ZINC000261516924 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261517234 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261517235 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261517236 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H]1OC[C@H](O)[C@@H]1O)[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 ZINC000261517237 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]2(C)C[C@@H]1O ZINC000261518066 KK Annotated Mild C[C@H](CC[C@H](O)[C@H](O)[C@H](COC(N)=O)OC(N)=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]3CC[C@]21C ZINC000261518623 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](COC(N)=O)OC(N)=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]3CC[C@]21C ZINC000261518624 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](COC(N)=O)OC(N)=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]3CC[C@]21C ZINC000261518625 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](COC(N)=O)OC(N)=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]3CC[C@]21C ZINC000261518626 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)COC(N)=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]3CC[C@]21C ZINC000261518893 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)COC(N)=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]3CC[C@]21C ZINC000261518894 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)COC(N)=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]3CC[C@]21C ZINC000261518895 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)COC(N)=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]3CC[C@]21C ZINC000261518896 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)NC[C@H](O)[C@H](O)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C(C)(C)[C@H](C(C)C)CC[C@]21C ZINC000261519541 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)NC[C@H](O)[C@H](O)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2C(C)(C)[C@@H](C(C)C)CC[C@]21C ZINC000261519542 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)NC[C@H](O)[C@H](O)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C(C)(C)[C@@H](C(C)C)CC[C@]21C ZINC000261519543 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)NC[C@H](O)[C@H](O)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2C(C)(C)[C@H](C(C)C)CC[C@]21C ZINC000261519544 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](OC)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000261520733 KK Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN)[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 ZINC000261521478 KK Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN)[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 ZINC000261521479 KK Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN)[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 ZINC000261521480 KK Annotated Anodyne C[C@H](CC[C@@H](O)[C@@H](O)[C@@H](O)CNC(=O)[C@@H](N)CCCN)[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 ZINC000261521481 KK Annotated Anodyne C[C@@H](CC[C@H]1OC(=O)[C@H](O)[C@@H]1O)[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 ZINC000261521988 KK Annotated Anodyne C[C@@H](CC[C@H]1OC(=O)[C@H](O)[C@@H]1O)[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 ZINC000261521989 KK Annotated Anodyne C[C@@H](CC[C@H]1OC(=O)[C@H](O)[C@@H]1O)[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 ZINC000261521990 KK Annotated Anodyne C[C@@H](CC[C@H]1OC(=O)[C@H](O)[C@@H]1O)[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 ZINC000261521991 KK 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@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261522218 KK 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@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261522219 KK 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@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261522220 KK 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@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261522221 KK Annotated Anodyne C[C@H](CC[C@H](CO)OCCO)[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 ZINC000261524367 KK Annotated Anodyne C[C@H](CC[C@H](CO)OCCO)[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 ZINC000261524368 KK Annotated Anodyne C[C@H](CC[C@H](CO)OCCO)[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 ZINC000261524369 KK Annotated Anodyne C[C@H](CC[C@H](CO)OCCO)[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 ZINC000261524370 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[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 ZINC000261525538 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[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 ZINC000261525539 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[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 ZINC000261525540 KK Annotated Anodyne C[C@H](CC[C@H](O)[C@H](O)[C@H](O)CNC(=O)[C@H](N)Cc1c[nH]c2ccccc12)[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 ZINC000261525541 KK 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@H](C)CC[C@@H]6OC[C@H](O)[C@@H]6O)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261526088 KK 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@H](C)CC[C@@H]6OC[C@H](O)[C@@H]6O)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261526089 KK 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@H](C)CC[C@@H]6OC[C@H](O)[C@@H]6O)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261526090 KK 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@H](C)CC[C@@H]6OC[C@H](O)[C@@H]6O)[C@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000261526091 KK Annotated Anodyne CO[C@H]1c2nc3c(nc2C[C@@H]2CC[C@H]4C5=C[C@@H]6O[C@]7(O[C@](C)(CO)C[C@H]7O)[C@@H](C)[C@]6(O)[C@@]5(C)[C@H](O)C[C@@H]4[C@]21C)C[C@@]1(C)[C@@H](CC[C@H]2C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]21)OC(C)(C)C[C@H]6O)C3 ZINC000261527116 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000261527149 KK Annotated Anodyne CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=C(Oc3cccc(O[Si](C)(C)C(C)(C)C)c3N2)C(=NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000261527156 KK Annotated Reactive CO[C@@H]1CC=Cc2nc(co2)-c2nc(co2)-c2nc(co2)[C@@H](C)CC(=O)CCC[C@@H](O)CC(=O)O[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H](C)/C=C/N(C)CO)[C@H]1C ZINC000261527157 KK Annotated Anodyne CC[C@@H](OC)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)C=CC=C(C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@H](OC)C=C[C@H](C)[C@@H](OC)C[C@@H](OC)C=C[C@@H]1C ZINC000261527158 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@@H](OC)C[C@@H](OC)C=C[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C1 ZINC000261527178 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@@H](O)C[C@@H](OC)C=C[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C=CC=C(C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000261527180 KK Annotated Anodyne CC1=C2N=C(C=C3N=C(C(C)=C4N[C@](C)([C@H]5N=C1[C@@](C)(CCC(=O)O)[C@@H]5CC(=O)O)[C@](C)(CC(=O)O)[C@H]4CCC(=O)O)[C@](C)(CC(=O)O)[C@H]3CCC(=O)O)C(C)(C)[C@H]2CCC(=O)O ZINC000261527182 KK Annotated Anodyne CC(/C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000261527198 KK Annotated Bother CO[C@H](C/C=C/N(C)CO)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@H]1OC(=O)C[C@H](O)C[C@@H](O)CC(=O)[C@@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CCC[C@@H]1C)OC ZINC000261527200 KK Annotated Anodyne CO[C@@H]([C@H](C)/C=C/N(C)CO)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@H]1OC(=O)C[C@H](O[C@@H](N)O)C[C@@H](C)C[C@H](O)[C@@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)OC ZINC000261527205 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000263589743 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000263589744 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000263589745 KK Annotated Anodyne CCN(CC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000263589746 KK Annotated Anodyne CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C\C=C\c1ccc([N+](=O)[O-])o1 ZINC000263590299 KK Annotated Reactive COc1ccccc1CNC(=O)C1=C(N)N(S(=O)(=O)c2ccc(C)cc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc2ccccc2c1 ZINC000263590310 KK Annotated Anodyne COc1ccccc1CNC(=O)C1=C(N)N(S(=O)(=O)c2ccc(C)cc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc2ccccc2c1 ZINC000263590311 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(CCCOCCOCCNC(=O)OC(C)(C)C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000263590418 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(CCCOCCOCCNC(=O)OC(C)(C)C)cc4)[C@@H]3C[C@H]2c2ccccc2)cc1 ZINC000263590419 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(CCCOCCOCCNC(=O)OC(C)(C)C)cc4)[C@H]3C[C@@H]2c2ccccc2)cc1 ZINC000263590420 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4Cl)[C@H]3C[C@@H]2c2ccccc2)cc1 ZINC000263590458 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4Cl)[C@@H]3C[C@H]2c2ccccc2)cc1 ZINC000263590459 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4Cl)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000263590460 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4Cl)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000263590483 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4Cl)N(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C[C@H]2c2ccccc2)cc1 ZINC000263590484 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3Cl)CC(=O)[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](c4ccccc4)C[C@@H]32)cc1 ZINC000263590485 KK Annotated Anodyne COc1cc([C@@H]2CC=C(C(=O)O)[C@@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000263590487 KK Annotated Anodyne COc1cc([C@H]2CC=C(C(=O)O)[C@@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000263590488 KK Annotated Anodyne CCO[C@H]1C[C@@H](c2ccc(CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]2C[C@H](c3ccc(CC)cc3)N(S(=O)(=O)c3ccc(C)cc3)C[C@H]12 ZINC000263590492 KK Annotated Anodyne CCO[C@H]1C[C@@H](c2ccc(CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]2C[C@H](c3ccc(CC)cc3)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]12 ZINC000263590493 KK Annotated Anodyne CCO[C@H]1C[C@@H](c2ccc(CC)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]2C[C@@H](c3ccc(CC)cc3)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]12 ZINC000263590494 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(Br)cc2)C1 ZINC000263590515 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(Br)cc2)C1 ZINC000263590516 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(CC)cc3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(CC)cc2)C1 ZINC000263590518 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccncc2)C1 ZINC000263590529 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccncc2)C1 ZINC000263590530 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000263590531 KK Annotated Anodyne COc1ccc([C@H]2CC=C(C(=O)O)[C@@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000263590532 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4cccc(Cl)c4)[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590543 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@H]3CN(S(=O)(=O)c4cccc(Cl)c4)[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590544 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4cccc(Cl)c4)[C@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590545 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@H]3CN(S(=O)(=O)c4cccc(Cl)c4)[C@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590546 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccccc2)C1 ZINC000263590558 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000263590559 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4Cl)[C@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590563 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4Cl)[C@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590564 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@H]3CN(S(=O)(=O)c4ccccc4Cl)[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590565 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4Cl)[C@@H](c4ccccc4)C[C@H]32)cc1 ZINC000263590566 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@@H]3[C@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000263590586 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000263590587 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@@H]3[C@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000263590588 KK Annotated Anodyne O=C(N=C1N(CC2CC2)C[C@]2(C=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263590599 KK Annotated Mild O=C(N=C1N(CC2CC2)C[C@]2(C=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263590600 KK Annotated Mild O=C(N=C1N(CC2CC2)C[C@@]2(C=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263590601 KK Annotated Mild O=C(N=C1N(CC2CC2)C[C@@]2(C=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263590602 KK Annotated Mild CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](O)C/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]1(C)O)O2 ZINC000263590639 KK Annotated Anodyne COc1ccc(CN2C[C@]3(C=C4CCCC[C@H]4n4c(=O)n(-c5ccccc5)c(=O)n43)N(C(=O)OCc3ccccc3)C2=NC(=O)c2ccccc2)c(OC)c1 ZINC000263590684 KK Annotated Mild COc1ccc(CN2C[C@]3(C=C4CCCC[C@@H]4n4c(=O)n(-c5ccccc5)c(=O)n43)N(C(=O)OCc3ccccc3)C2=NC(=O)c2ccccc2)c(OC)c1 ZINC000263590685 KK Annotated Mild O=C(N=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@]2(C=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263590691 KK Annotated Mild O=C(N=C1N(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@]2(C=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263590692 KK Annotated Mild CC1=C[C@@]2([C@H](Cc3ccccc3)N(CC3CC3)C(=NC(=O)c3ccccc3)N2C(=O)OCc2ccccc2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000263590757 KK Annotated Mild CC1=C[C@@]2([C@@H](Cc3ccccc3)N(CC3CC3)C(=NC(=O)c3ccccc3)N2C(=O)OCc2ccccc2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000263590758 KK Annotated Mild CC1=C[C@]2([C@H](Cc3ccccc3)N(CC3CC3)C(=NC(=O)c3ccccc3)N2C(=O)OCc2ccccc2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000263590759 KK Annotated Mild CC1=C[C@]2([C@@H](Cc3ccccc3)N(CC3CC3)C(=NC(=O)c3ccccc3)N2C(=O)OCc2ccccc2)n2c(=O)n(-c3ccccc3)c(=O)n2C1 ZINC000263590760 KK Annotated Mild Cc1ccc([C@H](C)NC(=O)C2=C(N)N(S(=O)(=O)c3ccc(C)cc3)[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 ZINC000263590804 KK Annotated Anodyne Cc1ccc([C@H](C)NC(=O)C2=C(N)N(S(=O)(=O)c3ccc(C)cc3)[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1 ZINC000263590805 KK Annotated Anodyne C[C@@H]1[C@H](CC[C@@H](C)COC(=O)c2ccccc2)O[C@@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12 ZINC000263590815 KK Annotated Mild C[C@@H]1[C@H](CC[C@@H](C)COC(=O)c2ccccc2)O[C@@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 ZINC000263590816 KK Annotated Mild C[C@@H]1[C@H](CC[C@@H](C)COC(=O)c2ccccc2)O[C@@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000263590817 KK Annotated Mild C[C@@H]1[C@H](CC[C@@H](C)COC(=O)c2ccccc2)O[C@@H]2C[C@@]3(O)C4=CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]12 ZINC000263590818 KK Annotated Mild Cc1ccc(S(=O)(=O)N2C(N)=C(C(=O)NCc3ccc(Br)cc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000263590822 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C(N)=C(C(=O)NCc3ccc(Br)cc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)c2ccccc2)cc1 ZINC000263590823 KK Annotated Anodyne C[C@@H]1O[C@H](C2CCCCC2)N(C)[C@H]2C[C@H]3c4[nH]c5c(-c6ccc7c(c6)OCO7)cccc5c4CCN3C[C@@H]12 ZINC000263590847 KK 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)N(c1ncc(C(F)(F)F)cc1Cl)O4 ZINC000263590901 KK 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)N(c1ncc(C(F)(F)F)cc1Cl)O4 ZINC000263590902 KK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cccc(N3CCC[C@@H](C)C3)c2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000263590917 KK 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)N(c1ccc([N+](=O)[O-])cn1)O4 ZINC000263590918 KK Annotated Bother 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)N(c1ccc([N+](=O)[O-])cn1)O4 ZINC000263590919 KK Annotated Bother 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)N(c1cnccn1)O4 ZINC000263590926 KK 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)N(c1cnccn1)O4 ZINC000263590927 KK Annotated Anodyne CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1O[C@]23C=C[C@]14C[C@@H](O)CC[C@]4(C)[C@@H]2CC[C@]1(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]31 ZINC000263590964 KK Annotated Anodyne CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1O[C@]23C=C[C@]14C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]1(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]31 ZINC000263590965 KK 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)N(C(=O)Cc1ccccc1)O4 ZINC000263590971 KK 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)N(C(=O)Cc1ccccc1)O4 ZINC000263590972 KK 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)N(c1ccc(Br)cn1)O4 ZINC000263590974 KK 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)N(c1ccc(Br)cn1)O4 ZINC000263590975 KK 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)N(c1ccc(F)cn1)O4 ZINC000263590977 KK 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)N(c1ccc(F)cn1)O4 ZINC000263590978 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@H]2C[C@@H](OC(N)=O)[C@H](OC(C)=O)[C@@H](C)O2)C=C[C@H](C)C[C@H]1C ZINC000263590982 KK Annotated Anodyne COc1ccccc1C(=O)N1O[C@]23C=C[C@]14C[C@@H](O)CC[C@]4(C)[C@@H]2CC[C@]1(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]31 ZINC000263590985 KK Annotated Anodyne COc1ccccc1C(=O)N1O[C@]23C=C[C@]14C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]1(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]31 ZINC000263590986 KK Annotated Anodyne O=C(N=C1N(Cc2ccccc2)C[C@]2(C=C3CCCC[C@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263591015 KK Annotated Mild O=C(N=C1N(Cc2ccccc2)C[C@]2(C=C3CCCC[C@@H]3n3c(=O)n(-c4ccccc4)c(=O)n32)N1C(=O)OCc1ccccc1)c1ccccc1 ZINC000263591016 KK Annotated Mild CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C1 ZINC000263591040 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000263591041 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000263591042 KK Annotated Anodyne Cc1ccc(C(=O)N2O[C@]34C=C[C@]25C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]42)cc1 ZINC000263591075 KK Annotated Anodyne Cc1ccc(C(=O)N2O[C@]34C=C[C@]25C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]42)cc1 ZINC000263591076 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)N(C(=O)c1ccccc1)O4 ZINC000263591085 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)N(C(=O)c1ccccc1)O4 ZINC000263591086 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000263591090 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000263591091 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc(Cl)c2)cc1 ZINC000263591092 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C[C@H]2c2cccc(Cl)c2)cc1 ZINC000263591093 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2C=C[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1 ZINC000263591236 KK Annotated Anodyne COc1ccc(N=C2C(=S)N(c3ccc(OC)cc3)/C(=N/S(=O)(=O)c3ccccc3)N2c2ccccc2)cc1 ZINC000263591251 KK Annotated Mild COc1ccc(N=C2C(=S)N(c3ccc(OC)cc3)/C(=N\S(=O)(=O)c3ccccc3)N2c2ccccc2)cc1 ZINC000263591252 KK Annotated Mild CC[C@H](/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[C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)CC[C@]12C)OO3)C(C)C ZINC000263591270 KK Annotated Reactive CC[C@H](/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]4OC[C@@H](O)[C@H](O)[C@@H]4O)C[C@]34C=C[C@]12OO4)C(C)C ZINC000263591271 KK Annotated Reactive CC[C@H](/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[C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)CC[C@]12C)OO3)C(C)C ZINC000263591272 KK Annotated Reactive CC[C@H](/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]4OC[C@@H](O)[C@H](O)[C@@H]4O)C[C@]34C=C[C@]12OO4)C(C)C ZINC000263591273 KK Annotated Reactive CC1=NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C(/C=C/c1ccc2c(c1)OCO2)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000263591300 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263591367 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263591368 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O ZINC000263591369 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000263591370 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)[C@@H]1SC(=Nc2ccccc2C)C(c2nc3ccccc3s2)=C1N ZINC000263591426 KK Annotated Mild CCc1cccc(CC)c1NC(=O)[C@H]1SC(=Nc2ccccc2C)C(c2nc3ccccc3s2)=C1N ZINC000263591427 KK Annotated Mild CCOc1ccc(/C(C)=N/N2C(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])SC2=Nc2cccc(C)c2C)cc1 ZINC000263591458 KK Annotated Mild CCOc1ccc(/C(C)=N/N2C(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])SC2=Nc2cccc(C)c2C)cc1 ZINC000263591459 KK Annotated Mild CCOc1ccc(N=C2S[C@H](C(=O)Nc3ccccc3C#N)C(N)=C2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000263591474 KK Annotated Mild CCOc1ccc(N=C2S[C@@H](C(=O)Nc3ccccc3C#N)C(N)=C2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000263591475 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(/N=C/c2cccc(OC)c2OC)C1=O ZINC000263591507 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(/N=C/c2cccc(OC)c2OC)C1=O ZINC000263591508 KK Annotated Mild CC[C@H](C)[C@H]1C=CC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1 ZINC000263591520 KK Annotated Anodyne Cc1ccc(N=C2S[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C(N)=C2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000263591576 KK Annotated Mild Cc1ccc(N=C2S[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C(N)=C2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000263591577 KK Annotated Mild C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@@H]54)[C@H]69 ZINC000263591616 KK Annotated Mild C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@@H]54)[C@@H]69 ZINC000263591617 KK Annotated Mild C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C\CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C/CO)C2)[C@H]54)[C@@H]69 ZINC000263591618 KK Annotated Mild C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1 ZINC000263591626 KK Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000263591627 KK Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1 ZINC000263591628 KK Annotated Reactive C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1 ZINC000263591629 KK Annotated Reactive Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(C)c5ccc([N+](=O)[O-])cc45)cc3)cc2)cc1 ZINC000263591657 KK Annotated Bother C=C(COC(=O)CCC(=O)O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 ZINC000263591686 KK Annotated Mild C=C(COC(=O)CCC(=O)O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1 ZINC000263591687 KK Annotated Mild C=C(COC(=O)CCC(=O)O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1 ZINC000263591688 KK Annotated Mild C=C(COC(=O)CCC(=O)O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@H]2O1 ZINC000263591689 KK Annotated Mild CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000263591832 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000263591833 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000263591834 KK Annotated Anodyne Cc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000263591835 KK Annotated Anodyne O=C1[C@@H]2[C@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000263591845 KK Annotated Anodyne O=C1[C@H]2[C@H](C=CC[C@H]2c2cccc(/C=C/c3ccccc3)c2)[C@H](c2ccc3ccccc3c2)N1Cc1ccccc1 ZINC000263591846 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000263591860 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000263591861 KK Annotated Anodyne COc1ccc(-c2cccc([C@@H]3CC=C[C@@H]4[C@H]3C(=O)N(Cc3ccccc3)[C@H]4c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000263591862 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)CO)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@H]4C[C@]3(C)O[C@H]12 ZINC000263591977 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)CO)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@@H]12 ZINC000263591978 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)CO)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@H]12 ZINC000263591979 KK Annotated Anodyne CC1=CC(=O)O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H](C)[C@@H]5O[C@@H]6C[C@@H]7O[C@]8(C)CC=C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@H](C[C@H](C)CO)C[C@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@H]4C[C@]3(C)O[C@@H]12 ZINC000263591980 KK Annotated Anodyne CCOc1ccc(C2=C(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000263592083 KK Annotated Mild CCOc1ccc(C2=C(C=Nc3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000263592084 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(/N=C(\C)c2ccc(C)cc2)C1=O ZINC000263592139 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(/N=C(\C)c2ccc(C)cc2)C1=O ZINC000263592140 KK Annotated Mild COc1ccccc1/C=N/N1C(=O)[C@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)SC1=Nc1cccc(C)c1C ZINC000263592141 KK Annotated Mild COc1ccccc1/C=N/N1C(=O)[C@@H](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)SC1=Nc1cccc(C)c1C ZINC000263592142 KK Annotated Mild CCOC(=O)c1ccc(N=C2C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2/N=C/c2ccccc2)cc1 ZINC000263592258 KK Annotated Mild O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000263593315 KK Annotated Reactive O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@H]3Cl)[C@@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000263593316 KK Annotated Reactive O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl ZINC000263593317 KK Annotated Reactive COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@@H]4[C@H]3C2=O)cc1 ZINC000263594701 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@H]3C2=O)cc1 ZINC000263594702 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](c5ccccc5)C[C@H]4[C@@H]3C2=O)cc1 ZINC000263594703 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@@H](c3c[nH]c4c(N)ncnc34)[C@H]2O1 ZINC000263596891 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](c3c[nH]c4c(N)ncnc34)[C@H]2O1 ZINC000263596892 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000263597985 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000263597986 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000263597987 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c3c(c(-c4cccc5ccccc45)c(C#N)c2=S)CCCC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000263597988 KK Annotated Mild COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000263598914 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000263598915 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000263598916 KK Annotated Anodyne O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 ZINC000263603802 KK Annotated Anodyne CCN(CC)Cc1cc(N=Nc2c(O)ccc3c(N=Nc4ccc(O)c(CN(CC)CC)c4)c(O)ccc23)ccc1O ZINC000263607145 KK Annotated Clean CCOC(=O)C1=C(C)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=S)N[C@H]1c1ccccc1 ZINC000263613733 KK Annotated Anodyne CCOC(=O)C1=C(C)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C(=S)N[C@H]1c1ccccc1 ZINC000263613734 KK Annotated Anodyne CCOC(=O)C1=C(C)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000263613735 KK Annotated Anodyne CCOC(=O)C1=C(C)N([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C(=S)N[C@@H]1c1ccccc1 ZINC000263613736 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000263614119 KK Annotated Anodyne 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=C/C=C(\C)CC[C@H](CC=C(C)C)C(C)(C)O ZINC000263614128 KK Annotated Bother CC(C)=CC[C@@H](/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=C(\C)CC[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O ZINC000263614226 KK Annotated Bother C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@@H]1CCC(C)=C[C@@H]31)C(=O)[C@H]1[C@@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000263614227 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@@H]1CCC(C)=C[C@@H]31)C(=O)[C@H]1[C@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000263614228 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@@H]1CCC(C)=C[C@@H]31)C(=O)[C@@H]1[C@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000263614229 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@@H]1CCC(C)=C[C@@H]31)C(=O)[C@@H]1[C@@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000263614230 KK Annotated Mild in-vitro CN[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000263614259 KK Annotated Anodyne CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(Nc3ccccc3)c3ccccc23)cc1 ZINC000263614368 KK Annotated Mild C=CC1=C(C)/C2=C/C3=N/C(=C4\c5[nH]c(c(C)c5C(=O)[C@@H]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)[C@@H]4O[C@@]14N2)[C@@H](CCC(=O)O)[C@@H]3C ZINC000263614371 KK Annotated Anodyne C=CC1=C(C)/C2=C/C3=N/C(=C4\c5[nH]c(c(C)c5C(=O)[C@@H]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)[C@H]4O[C@@]14N2)[C@@H](CCC(=O)O)[C@@H]3C ZINC000263614372 KK Annotated Anodyne CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCC[C@H](NC(=O)[C@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@H]1CCCCNC1=O ZINC000263614416 KK Annotated Mild in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000263614426 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000263614427 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000263614428 KK Annotated Anodyne in-vitro CO[C@@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)c(SC)c(c2O)NC(=O)C1 ZINC000263614429 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@H](C)C(=O)O)NC(=O)C[C@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@H](O)CC(C)C ZINC000263614435 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@H](C)C(=O)O)NC(=O)C[C@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@@H](O)CC(C)C ZINC000263614436 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@H](C)C(=O)O)NC(=O)C[C@@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@@H](O)CC(C)C ZINC000263614437 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@H](C)C(=O)O)NC(=O)C[C@@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@H](O)CC(C)C ZINC000263614438 KK Annotated Anodyne in-vitro C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@H](O)[C@]4(O)CC(C)=C[C@@H]4[C@@]1(O3)[C@@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000263614439 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@H](O)[C@]4(O)CC(C)=C[C@@H]4[C@@]1(O3)[C@@H](C)[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000263614440 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@H](O)[C@]4(O)CC(C)=C[C@@H]4[C@@]1(O3)[C@H](C)[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000263614441 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(/C=C/CCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@H](O)[C@]4(O)CC(C)=C[C@@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000263614442 KK Annotated Mild COc1cccc(/N=N/c2c(S(=O)(=O)O)cc3cc(NC(=O)Nc4ccc5c(O)c(/N=N/c6ccc7cc(S(=O)(=O)O)ccc7c6)c(S(=O)(=O)O)cc5c4)ccc3c2O)c1 ZINC000263614495 KK Annotated Clean 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@H](C)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@@H]4CC[C@]23C)C1(C)C ZINC000263614514 KK Annotated Anodyne O=S(=O)(O)c1ccc(/N=c2/cc3n(-c4ccccc4)c4ccccc4nc-3c3ccc(S(=O)(=O)O)cc23)cc1 ZINC000263614591 KK Annotated Bother CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@@H](C=C[C@@H]4[C@@H](O[C@H]5C[C@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@@H](C)O5)[C@@H](C)CC[C@H]42)C/C=C/C/C(C)=C/[C@@]3(C)C=C1C(=O)O ZINC000263614610 KK Annotated Mild O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c([C@H](/C=C/CCCC(=O)O)c2ccccc2)c(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000263614693 KK Annotated Anodyne COc1cc2[nH]c(C(=O)n3ccc4c5cc(C(=O)N6CCc7c6c(O)c(OC)c6[nH]c(C(=O)SC)cc76)[nH]c5c(O)cc43)cc2cc1O ZINC000263614727 KK Annotated Anodyne 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=C/C=C(C)/C=C/[C@H](CC=C(C)C)C(C)(C)O ZINC000263614731 KK Annotated Bother COc1cc2[nH]c(C(=O)n3cc(C)c4c5cc(C(=O)N6CCc7c6c(O)c(OC)c6[nH]c(C(=O)SC)cc76)[nH]c5c(O)cc43)cc2cc1O ZINC000263614736 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3c(C)nn(-c4ccc(Cl)cc4S(=O)(=O)O)c3O)cc2)cc1 ZINC000263614747 KK Annotated Clean O=C(/C=C/C=C/C=C/c1ccc(O)c(NC(=O)/C=C/C=C/C=C/C2CCCCC2)c1)NC1=C(O)CCC1=O ZINC000263614792 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1NC(C)=O ZINC000263614846 KK Annotated Anodyne CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000263614922 KK Annotated Bother in-vitro CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000263614923 KK Annotated Bother in-vitro CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000263614924 KK Annotated Bother in-vitro CC(C)=CC[C@@H](/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=C(C)/C=C/[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O ZINC000263614933 KK Annotated Bother C=CC1=C(C)/C2=C/C3=N/C(=C4\c5[nH]c(c(C)c5C(=O)[C-]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)[C@@H]4O[C@@]14N2)[C@@H](CCC(=O)O)[C@@H]3C ZINC000263614960 KK Annotated Anodyne C=CC1=C(C)/C2=C/C3=N/C(=C4\c5[nH]c(c(C)c5C(=O)[C-]4C(=O)OC)/C=C4\N=C(C(C)=C4CC)[C@H]4O[C@@]14N2)[C@@H](CCC(=O)O)[C@@H]3C ZINC000263614961 KK Annotated Anodyne COC(=O)[C@H](CC1=C[C@@H]2[C@H](C=C1)N[C@H](c1c(Cl)cccc1Cl)C[C@@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000263614969 KK Annotated Anodyne in-vitro COC(=O)[C@H](CC1=C[C@@H]2[C@H](C=C1)N[C@H](c1c(Cl)cccc1Cl)C[C@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000263614970 KK Annotated Anodyne in-vitro COC(=O)[C@H](CC1=C[C@@H]2[C@H](C=C1)N[C@@H](c1c(Cl)cccc1Cl)C[C@@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000263614971 KK Annotated Anodyne in-vitro COC(=O)[C@H](CC1=C[C@@H]2[C@H](C=C1)N[C@@H](c1c(Cl)cccc1Cl)C[C@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000263614972 KK Annotated Anodyne in-vitro COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000263620224 KK Annotated Mild in-vitro COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000263620225 KK Annotated Mild in-vitro C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccncc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C ZINC000263620256 KK Annotated Reactive CC1=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/[C@H](O)C(C)(C)O[C@@H]2O[C@@H](COC(=O)CCCCCCCCCCCC(C)C)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000263620288 KK Annotated Mild CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3[nH]c(cc4[nH]c(cc([nH]2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000263620348 KK Annotated Bother CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)/C=C\N(C)CO ZINC000263620350 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C@H](C)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)/C=C/N(C)CO ZINC000263620351 KK Annotated Anodyne C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(C2=C=CCS2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C ZINC000263620383 KK Annotated Reactive COC(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)CC/C=C(/C)CCC=C(C)C ZINC000263620421 KK Annotated Bother in-vitro COC(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)CC/C=C(/C)CCC=C(C)C ZINC000263620422 KK Annotated Bother in-vitro COC(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)CC/C=C(\C)CCC=C(C)C ZINC000263620423 KK Annotated Bother in-vitro C[C@@]1(N)Cc2cccc(c2)C=CC(c2ccccc2)=NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000263620486 KK Annotated Anodyne in-vitro 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=C/C=C(/C)CCCC(C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000263620569 KK Annotated Bother 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=C/C=C(/C)CCCC(C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000263620570 KK Annotated Bother 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/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO ZINC000263620648 KK Annotated Bother C=CC1=C[C@@H]2[C@@H]3O[C@]4(C[C@H]5CCC[C@@]6(CC[C@@]7(O[C@@H](CC[C@@]7(C)O)C/C(C)=C/CCC7=NC[C@H](C)[C@@H](C)C[C@@]72CC1)O6)O5)C[C@@H](C)[C@@H](O)[C@H]3O4 ZINC000263620662 KK Annotated Anodyne C[C@H]1C2=N[C@H]([C@H](CC(=O)O)[C@@]2(C)CCC(=O)O)[C@]2(C)N/C(=C\C3=N/C(=C\C4=NC1=C(CCC(=O)O)C4(C)C)[C@@H](CCC(=O)O)[C@]3(C)CC(=O)O)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O ZINC000263620702 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000263620743 KK Annotated Anodyne C/C1=C2/N[C@@](C)([C@@H]3N=C(/C(C)=C4\N=C(/C=C5\N=C1[C@@](C)(CC(=O)O)[C@@H]5CCC(=O)O)C(C)(C)[C@H]4CCC(=O)O)[C@](C)(CCC(=O)O)[C@H]3CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]2CCC(=O)O ZINC000263620777 KK Annotated Anodyne CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N4)O6 ZINC000263620781 KK Annotated Bother CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C/[C@@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N4)O6 ZINC000263620782 KK Annotated Bother NC(=O)c1ccc(-c2nccc3c(-n4cnc(-c5ccccc5)c4)cccc23)cc1NC1CCC(O)CC1 ZINC000263620804 KK Annotated Anodyne O=C(O)c1cc(-c2ccc(CN3CCc4cc(-c5ccc(C(=O)O)o5)ccc4C3=S)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000263620856 KK Annotated Anodyne CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000263620883 KK Annotated Bother in-vitro CO[C@@H]1/C=C/[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](CCC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C1 ZINC000263620951 KK Annotated Anodyne C/C=C1/c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000263621031 KK Annotated Bother C/C=C1/c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000263621032 KK Annotated Bother C/C=C1/c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000263621033 KK Annotated Bother C/C=C1/c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000263621034 KK Annotated Bother CC1=C(O)[C@@](O)([C@@H]2C[C@H]3OC(=O)[C@H](C)[C@@H]4CCC[C@@]5(CC[C@H](O5)[C@H](O)[C@@]5(C)CC(=O)[C@H](O5)[C@H]5C[C@]6(C)CC[C@](O5)(O6)[C@H]5CC[C@](C)(C[C@@H](C)/C=C(C)/C=C/[C@H]3O2)O5)O4)OCC1 ZINC000263621103 KK Annotated Anodyne CC(/C=C\C=C(C)\C=C\[C@H](CCC(C)(C)O)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@H](CCC(C)(C)O)C(C)(C)O ZINC000263621104 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C\C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000263621109 KK Annotated Bother in-vitro COC(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)\C=C\C=C(C)\C=C\CC(C)(C)OC ZINC000263621114 KK Annotated Bother in-vitro CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](O)CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)CO)OC ZINC000263621129 KK Annotated Anodyne C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C ZINC000263621151 KK Annotated Reactive CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O[C@H](N)O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)CO ZINC000263621247 KK Annotated Anodyne CCCC[C@H]1CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000263621262 KK Annotated Anodyne Cc1c(Sc2cccc(C(=O)O)c2F)c2ccc(Cl)c(F)c2n1CC(=O)N1CC2(CC2)c2ccccc21 ZINC000263621263 KK Annotated Anodyne C/C1=C2/N=C(/C=C3\N[C@H]([C@@H](C)C4=N[C@H]([C@H](CC(=O)O)[C@@]4(C)CCC(=O)O)[C@]4(C)N=C1[C@@H](CCC(=O)O)[C@]4(C)CC(=O)O)[C@H](CCC(=O)O)C3(C)C)[C@@H](CCC(=O)O)[C@]2(C)CC(=O)O ZINC000263621269 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C/C=C(C)\C=C\C=C(C)\C=C\C2=C[C@H](C)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000263621300 KK Annotated Bother in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C/C2=C[C@H](C)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000263621301 KK Annotated Bother in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C[C@H](C)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000263621302 KK Annotated Bother in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C/C=C(C)\C=C\C=C(C)\C=C/C2=C[C@H](C)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000263621303 KK Annotated Bother in-vitro Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc(OCc4cn(Cc5ccccc5)nn4)c3)s2)n1 ZINC000263621310 KK Annotated Anodyne C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C[C@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)O2 ZINC000263621369 KK Annotated Mild C1CCN2C[C@@]34C[C@H](C[C@H]5CCCN([C@@H]6N[C@@H]3CC[C@H]6[C@H]3CCC[C@@H]([C@@]67C[C@H](C[C@H]8CCCN[C@H]86)[C@H]6CCCCN6C7)N3)[C@@H]54)[C@@H]2C1 ZINC000263635770 KK Annotated Anodyne C1CCN2C[C@]3([C@@H]4CCC[C@H]([C@@H]5CC[C@H]6N[C@H]5N5CCC[C@@H]7C[C@H]8C[C@@]6(CN6CCCC[C@@H]86)[C@@H]75)N4)C[C@H](C[C@H]4CCCN[C@H]43)[C@@H]2C1 ZINC000263635771 KK Annotated Anodyne C1CCN2C[C@@]34C[C@H](C[C@H]5CCCN([C@@H]6N[C@@H]3CC[C@H]6[C@H]3CCC[C@@H]([C@@]67C[C@H](C[C@H]8CCCN[C@H]86)[C@@H]6CCCCN6C7)N3)[C@@H]54)[C@@H]2C1 ZINC000263635772 KK Annotated Anodyne C1CCN2C[C@@]34C[C@H](C[C@H]5CCCN([C@@H]6N[C@@H]3CC[C@H]6[C@H]3CCC[C@@H]([C@@]67C[C@H](C[C@H]8CCCN[C@H]86)[C@H]6CCCCN6C7)N3)[C@H]54)[C@@H]2C1 ZINC000263635773 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)N(C)CC4 ZINC000263635823 KK Annotated Anodyne C=C1[C@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000263635895 KK Annotated Mild C=C1[C@H]2[C@@H](OC(C)=O)[C@@H]3CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)CC[C@H]1OC(=O)/C=C\c1ccccc1)C3(C)C ZINC000263635896 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)CO[C@@H]3[C@@H]4O[C@@H]5C[C@H](c6ccoc6)C(C)=C5[C@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000263636080 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)CO[C@H]3[C@H]2[C@@]1(C)[C@@H](CC(=O)OC)[C@@]1(C)C2=C(C)[C@@H](c4ccoc4)C[C@H]2O[C@@H]31 ZINC000263636081 KK Annotated Anodyne CC1=C2N=C(C=C3NC(=C(C)C4=N[C@@](C)([C@H]5N=C1[C@](C)(CCC(=O)O)[C@@H]5CC(=O)O)[C@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@](C)(CC(=O)O)[C@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000263636364 KK Annotated Anodyne CC1=C2N=C(C=C3NC(=C(C)C4=N[C@@](C)([C@H]5N=C1[C@](C)(CCC(=O)O)[C@@H]5CC(=O)O)[C@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@](C)(CC(=O)O)[C@H]3CCC(=O)O)C(C)(C)[C@H]2CCC(=O)O ZINC000263636365 KK Annotated Anodyne CC1=C2N=C(C=C3NC(=C(C)C4=N[C@@](C)([C@H]5N=C1[C@](C)(CCC(=O)O)[C@@H]5CC(=O)O)[C@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@](C)(CC(=O)O)[C@@H]3CCC(=O)O)C(C)(C)[C@H]2CCC(=O)O ZINC000263636366 KK Annotated Anodyne CC1=C2N=C(C=C3NC(=C(C)C4=N[C@@](C)([C@H]5N=C1[C@](C)(CCC(=O)O)[C@@H]5CC(=O)O)[C@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@](C)(CC(=O)O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000263636367 KK Annotated Anodyne CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)[C@](C)(CC=C(C)C)[C@@](C(=O)CC(C)C)(C1=O)C2=O ZINC000263636372 KK Annotated Mild CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)[C@](C)(CC=C(C)C)[C@@](C(=O)CC(C)C)(C1=O)C2=O ZINC000263636373 KK Annotated Mild CC(C)=CCC1=C(O)[C@@]2(CC=C(C)C)C[C@@H](CC=C(C)C)[C@@](C)(CC=C(C)C)[C@@](C(=O)CC(C)C)(C1=O)C2=O ZINC000263636374 KK Annotated Mild CC(=O)OC(C)(C)[C@@H]1C[C@]23O[C@@H]1C[C@@H](C)[C@H]2[C@@]1(C)CC[C@@H]2[C@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]24C)[C@@]1(C)[C@H]3O ZINC000263637096 KK Annotated Anodyne CC(=O)OC(C)(C)[C@H]1C[C@]23O[C@@H]1C[C@H](C)[C@H]2[C@@]1(C)CC[C@@H]2[C@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]24C)[C@@]1(C)[C@H]3O ZINC000263637097 KK Annotated Anodyne CC(=O)OC(C)(C)[C@H]1C[C@]23O[C@@H]1C[C@@H](C)[C@H]2[C@@]1(C)CC[C@@H]2[C@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]24C)[C@@]1(C)[C@H]3O ZINC000263637098 KK Annotated Anodyne CC(=O)OC(C)(C)[C@@H]1C[C@]23O[C@@H]1C[C@H](C)[C@H]2[C@@]1(C)CC[C@@H]2[C@H](CC[C@H]4C(C)(C)[C@@H](O)CC[C@]24C)[C@@]1(C)[C@H]3O ZINC000263637099 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)OC1=C(C(=O)c1ccc(O)c(O)c1)C(=O)[C@H](CC=C(C)C)C2=O ZINC000263637150 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)OC1=C(C(=O)c1ccc(O)c(O)c1)C(=O)[C@@H](CC=C(C)C)C2=O ZINC000263637151 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)OC1=C(C(=O)c1ccc(O)c(O)c1)C(=O)[C@H](CC=C(C)C)C2=O ZINC000263637152 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)OC1=C(C(=O)c1ccc(O)c(O)c1)C(=O)[C@@H](CC=C(C)C)C2=O ZINC000263637153 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)=C[C@@H](C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000263637230 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)=C[C@@H](C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000263637231 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)=C[C@H](C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000263637232 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C(c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)=C[C@H](C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000263637233 KK Annotated Anodyne Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000263637305 KK Annotated Anodyne Oc1ccc([C@@H]2[C@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2cc(O)ccc2[C@H]5[C@H](c2cc(O)cc(O)c2)O4)cc1 ZINC000263637329 KK Annotated Anodyne Oc1ccc([C@@H]2[C@@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2cc(O)ccc2[C@H]5[C@@H](c2cc(O)cc(O)c2)O4)cc1 ZINC000263637330 KK Annotated Anodyne Oc1ccc([C@@H]2[C@@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@H]2[C@H](c2ccc(O)cc2)c2cc(O)ccc2[C@H]5[C@H](c2cc(O)cc(O)c2)O4)cc1 ZINC000263637331 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(C3=C[C@H](C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000263637424 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(C3=C[C@H](C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000263637425 KK Annotated Anodyne CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(C3=C[C@H](C)C[C@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000263637426 KK Annotated Anodyne CC1=CCCC(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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000263637458 KK Annotated Bother CC1=CCCC(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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000263637459 KK Annotated Bother CC1=CCCC(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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000263637460 KK Annotated Bother CC1=CCCC(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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000263637461 KK Annotated Bother Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000263638139 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)/C(=C(\O)c3ccc(O)c(O)c3)C(=O)[C@@]1(CC=C(C)C)C2=O ZINC000263638179 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C(=O)[C@@]1(CC=C(C)C)C2=O ZINC000263638180 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)/C(=C(/O)c3ccc(O)c(O)c3)C(=O)[C@@]1(CC=C(C)C)C2=O ZINC000263638181 KK Annotated Mild Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c3)[C@@H](c3cccc(O)c3)O5)[C@H](c3ccc(O)cc3)O4)[C@H]2c2ccc(O)cc2O)cc1 ZINC000263638288 KK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@@H](c3cccc(O)c3)O5)[C@H](c3ccc(O)cc3)O4)[C@H]2c2ccc(O)cc2O)cc1 ZINC000263638289 KK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3cccc(O)c3)O5)[C@H](c3ccc(O)cc3)O4)[C@H]2c2ccc(O)cc2O)cc1 ZINC000263638290 KK Annotated Anodyne Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@H](c3cccc(O)c3)O5)[C@H](c3ccc(O)cc3)O4)[C@H]2c2ccc(O)cc2O)cc1 ZINC000263638291 KK Annotated Anodyne C/C(=C/C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C)C(C)C ZINC000263638644 KK Annotated Anodyne C/C(=C/C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C\c3ccccc3)[C@]12C)C(C)C ZINC000263638645 KK Annotated Anodyne C/C(=C\C(=O)O[C@H](C)[C@]1(O)CC[C@]2(O)[C@@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](OC(=O)/C=C\c3ccccc3)[C@]12C)C(C)C ZINC000263638646 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCCN(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)CC[C@@H](C)[C@H](OC)C1 ZINC000263638670 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCCN(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)CC[C@H](C)[C@@H](OC)C1 ZINC000263638671 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCCN(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)CC[C@H](C)[C@H](OC)C1 ZINC000263638672 KK Annotated Anodyne CO[C@@H]1C=C[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCCN(C)C=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)CC2=CC(=O)O[C@@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)CC[C@@H](C)[C@@H](OC)C1 ZINC000263638673 KK Annotated Anodyne CC1=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]2[C@H](C)C[C@H](O)CC2(C)C)C(C)(C)C=CC1 ZINC000263638897 KK 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=C\[C@@H]2[C@H](C)C[C@H](O)CC2(C)C)C(C)(C)C=CC1 ZINC000263638898 KK 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=C/[C@@H]2[C@H](C)C[C@H](O)CC2(C)C)C(C)(C)C=CC1 ZINC000263638899 KK 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=C/[C@@H]2[C@H](C)C[C@H](O)CC2(C)C)C(C)(C)C=CC1 ZINC000263638900 KK Annotated Bother O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000026500006 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1ccc(C(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)c2nc3ccccc3cc12 ZINC000026500029 KK Annotated Reactive COc1ccc2c(C(=O)N(C)CC(=O)O)cc(Cc3ccc(Br)cc3F)cc2c1Br ZINC000026501386 KK Annotated Anodyne C=CCN(C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026501828 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026501923 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026501926 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026501929 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026501932 KK Annotated Reactive Cc1ccsc1[C@H](c1ccccc1Br)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026502133 KK Annotated Anodyne Cc1ccsc1[C@@H](c1ccccc1Br)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000026502135 KK Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OCCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000026502233 KK Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OCCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026502236 KK Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OCCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026502239 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026502721 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026502724 KK Annotated Reactive COCCOc1cc([N+](=O)[O-])ccc1COC(=O)Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000026502727 KK Annotated Reactive COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000026502733 KK Annotated Reactive COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000026502736 KK Annotated Reactive Cc1cccc(CCN[C@H](C)c2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 ZINC000026502739 KK Annotated Anodyne Cc1cccc(CCN[C@@H](C)c2cccc(COc3nn4c(C(F)(F)F)nnc4c4ccccc34)n2)c1 ZINC000026502742 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N(C)C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026503001 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N(C)C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000026503004 KK Annotated Reactive O=C1NC2(CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026503883 KK Annotated Anodyne C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(C(F)(F)F)nnc3c3ccccc23)n1 ZINC000026504040 KK Annotated Anodyne CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000026504405 KK Annotated Anodyne in-vitro CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026504409 KK Annotated Anodyne in-vitro CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000026504413 KK Annotated Anodyne in-vitro CCCC[C@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C(C)=C/c1ccccc1 ZINC000026504587 KK Annotated Anodyne CCCC[C@H]1C(=O)N([C@@H](C2SCCCS2)[C@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C(C)=C/c1ccccc1 ZINC000026504591 KK Annotated Anodyne CCCC[C@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C(C)=C/c1ccccc1 ZINC000026504595 KK Annotated Anodyne CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1=O ZINC000026505022 KK Annotated Anodyne FC(F)(F)c1ccc([C@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026505139 KK Annotated Anodyne FC(F)(F)c1ccc([C@@H](c2ccccc2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000026505142 KK Annotated Anodyne c1ccc(-c2ccc([C@H](c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)cc2)cc1 ZINC000026505658 KK Annotated Anodyne c1ccc(-c2ccc([C@@H](c3ccccc3)N3CCN(c4ncnc5c4cnn5-c4ccccc4)CC3)cc2)cc1 ZINC000026505660 KK Annotated Anodyne CCC(=O)N(c1ccccc1F)C1(c2ccccc2)CCN(CCn2cc(I)cn2)CC1 ZINC000026506140 KK Annotated Anodyne O=C(Nc1ccc(Sc2nc3ccc(OC(F)(F)F)cc3s2)cc1)c1cc(Cl)cc(Cl)c1O ZINC000026507685 KK Annotated Anodyne COC(=O)CCC(=O)Oc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C ZINC000026508159 KK Annotated Anodyne CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cc12 ZINC000026508345 KK Annotated Anodyne CCCN(C(=O)OCc1ccccc1C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000026508424 KK Annotated Anodyne Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)c1 ZINC000026509000 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)C(=O)O)c(C(C)(C)C)c1 ZINC000026567020 KK Annotated Anodyne CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4NC(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000026567465 KK Annotated Anodyne CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)c3cccc4ccccc34)CC2)C1=O ZINC000026567478 KK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCC2(CC1)NC(=O)N(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O ZINC000026567696 KK Annotated Anodyne Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)c(C)c1 ZINC000026568092 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)O)c(C(C)(C)C)c1 ZINC000026568516 KK Annotated Anodyne CSc1ccc(N2C(=O)NC3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2=O)cc1 ZINC000026568602 KK Annotated Anodyne CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4NC(=O)c4cc(Cl)cc(Cl)c4)cc3)sc2c1 ZINC000026568936 KK Annotated Anodyne CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4CS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000026569687 KK Annotated Anodyne CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000026569690 KK Annotated Anodyne COc1ccc([C@@H](CN(C)C)C2(OC(=O)CCC(=O)NC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)CCCCC2)cc1 ZINC000026569693 KK Annotated Anodyne COc1ccc([C@H](CN(C)C)C2(OC(=O)CCC(=O)NC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)CCCCC2)cc1 ZINC000026569696 KK Annotated Anodyne O=C(O)CC1(CS[C@H](CCc2ccc(C(F)(F)F)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026569749 KK Annotated Anodyne O=C(O)CC1(CS[C@H](CCc2ccccc2CO)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026569871 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCO)c(C(C)(C)C)c1 ZINC000026570115 KK Annotated Anodyne O=C(O)CC1(CS[C@H](CCc2ccc(C3(O)CCC3)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026570243 KK Annotated Anodyne O=C(O)CC1(CS[C@H](CCc2cccc(C3(O)CCC3)c2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000026570254 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)[C@@H](O)CCC(=O)O)c(C(C)(C)C)c1 ZINC000026570334 KK Annotated Anodyne CCCC[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026570371 KK Annotated Anodyne CCCC[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@H]2OC(C)(C)O[C@@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026570376 KK Annotated Anodyne CCCC[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026570380 KK Annotated Anodyne CCCC[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000026570383 KK Annotated Anodyne CCc1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(CC)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2 ZINC000026570952 KK Annotated Clean CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4NS(=O)(=O)c4ccccc4C(=O)O)cc3)sc2c1 ZINC000026571114 KK Annotated Anodyne CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4NS(=O)(=O)c4cccc(C(=O)O)c4)cc3)sc2c1 ZINC000026571118 KK Annotated Anodyne CC(=O)O/C(=C\C(=O)Oc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C)C(=O)O ZINC000026572041 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCCC(=O)O)c(C(C)(C)C)c1 ZINC000026572283 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CO)c(C(C)(C)C)c1 ZINC000026572860 KK Annotated Anodyne CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)ccc4OS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000026572898 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)C[C@@H](O)CO)c(C(C)(C)C)c1 ZINC000026572936 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)C[C@H](O)CO)c(C(C)(C)C)c1 ZINC000026572939 KK Annotated Anodyne CC(C)(CO)CC(=O)Oc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C ZINC000026573233 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCCO)c(C(C)(C)C)c1 ZINC000026573346 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCCCO)c(C(C)(C)C)c1 ZINC000026573349 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)COCC(=O)O)c(C(C)(C)C)c1 ZINC000026574857 KK Annotated Anodyne Cc1cn(CCCn2cc(CC(=O)NCCCCCCO[P@](=O)(O)Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000026575190 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCCCCCC(=O)O)c(C(C)(C)C)c1 ZINC000026575423 KK Annotated Anodyne Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCO[P@@](=O)(O)Oc3ccccc3Cl)c3ccccc32)c2ccccc12 ZINC000026575472 KK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccs2)nn1C[C@@H]1CCC[C@@H](C(=O)O)C1 ZINC000026575490 KK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccs2)nn1C[C@@H]1CCC[C@H](C(=O)O)C1 ZINC000026575491 KK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccs2)nn1C[C@H]1CCC[C@@H](C(=O)O)C1 ZINC000026575492 KK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2cccs2)nn1C[C@H]1CCC[C@H](C(=O)O)C1 ZINC000026575493 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000026575571 KK Annotated Clean CCc1c(C)c2nc1cc1[nH]c(c(C)c1CC)c(-c1cc[n+](C)cc1)c1[nH]c(cc3nc(c(C)c3CC)c2-c2cc[n+](C)cc2)c(CC)c1C ZINC000026575657 KK Annotated Clean CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccc(C(F)(F)F)cc2)[C@@H]1C#Cc1ccccc1 ZINC000026575860 KK Annotated Mild CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccc(C(F)(F)F)cc2)[C@H]1C#Cc1ccccc1 ZINC000026575861 KK Annotated Mild CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026575947 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026575971 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026576146 KK Annotated Anodyne CN(C)c1ccc(-c2nc(-c3ccc(/C=C/CN4CCOCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026576250 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2-c2ccc(NC)cc2)cc1 ZINC000026576404 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026576447 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026576448 KK Annotated Anodyne O[C@@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-c3ccc4ccccc4c3)ncnc21 ZINC000026576505 KK Annotated Anodyne O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2c(-c3ccc4ccccc4c3)ncnc21 ZINC000026576506 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576528 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026576532 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CCC5(CC4)OCCO5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000026576697 KK Annotated Anodyne O=C(O)c1c(Cc2cc3c(cc2Cl)OCO3)c(-c2ccccc2)nn1CC12CC3CC(CC(C3)C1)C2 ZINC000026576702 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576760 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000026576761 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC(C)(C)C4)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000026576834 KK Annotated Anodyne CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2cccc(I)c2)[C@@H]1C#Cc1ccccc1 ZINC000026576891 KK Annotated Mild CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2cccc(I)c2)[C@H]1C#Cc1ccccc1 ZINC000026576892 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026576895 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc(C)c(=O)n(C)c2)c1 ZINC000026576918 KK Annotated Anodyne COc1ccc(CCNC[C@@H](C)c2c(-c3cc(C)cc(C)c3)[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc23)cn1 ZINC000026576919 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(c6C)c1=O)[C@H](CC)[C@H]5C)c([C@@H](C)OC)c4C)[C@@H](C)[C@@H]3CCC(=O)OCCC ZINC000026576971 KK Annotated Bother CCCCn1nc2n(c1=O)[C@H](c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)CC[C@@H]2CCC ZINC000026577036 KK Annotated Anodyne CCCCn1nc2n(c1=O)[C@H](c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)CC[C@H]2CCC ZINC000026577037 KK Annotated Anodyne CCCCn1nc2n(c1=O)[C@@H](c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)CC[C@@H]2CCC ZINC000026577038 KK Annotated Anodyne CCCCn1nc2n(c1=O)[C@@H](c1ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc1)CC[C@H]2CCC ZINC000026577039 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577076 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577077 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc(=O)[nH]c2)c1 ZINC000026577086 KK Annotated Anodyne CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccc(C(=O)OCC(Cl)(Cl)Cl)cc2)[C@@H]1C#Cc1ccccc1 ZINC000026577210 KK Annotated Mild CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccc(C(=O)OCC(Cl)(Cl)Cl)cc2)[C@H]1C#Cc1ccccc1 ZINC000026577211 KK Annotated Mild Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@H]5CC[C@@H]4C5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000026577271 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C[C@@H]5CC[C@H]4C5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000026577272 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cccnc2)c1 ZINC000026577360 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4[C@H]5CCC[C@@H]4CC5)cc3c2[C@H](C)CNCCCCc2ccncc2)c1 ZINC000026577361 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577362 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577370 KK Annotated Anodyne CN(C)c1ccc(-c2nc(-c3ccc(/C=C/CN4CCCCC4)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000026577514 KK Annotated Anodyne CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C#Cc1ccccc1 ZINC000026577580 KK Annotated Mild CCO/C(O)=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C#Cc1ccccc1 ZINC000026577581 KK Annotated Mild CN(C)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 ZINC000026577630 KK Annotated Anodyne C[C@@H]1CN(CCCn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)C[C@@H](C)N1 ZINC000026577733 KK Annotated Anodyne C#CCNC(=O)Cn1c2ccccc2c2cc[n+]3nc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3c21 ZINC000026577827 KK Annotated Mild CCOC(=O)Cn1c2ccccc2c2cc[n+]3nc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3c21 ZINC000026577828 KK Annotated Bother CCOC/C=C/c1ccc(-c2nc(-c3ccc(N4CCOCC4)cc3)c(-c3ccc(N4CCOCC4)cc3)[nH]2)cc1 ZINC000026577829 KK Annotated Anodyne CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(CC)CC)cc3)c(-c3ccc(N(CC)CC)cc3)[nH]2)cc1 ZINC000026577830 KK Annotated Anodyne CC(C)CC(=O)Oc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC(=O)CC(C)C)c(OC(=O)CC(C)C)c2)cc1OC(=O)CC(C)C ZINC000026577878 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026577931 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@@H](CC(C)C)c2cc(-c3ccccc3C(=O)O)on2)cc1 ZINC000026578009 KK Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(-c4ccccc4Cl)o3)c21 ZINC000026578054 KK Annotated Mild CCC1=C(C(=O)OCN(C)C)[C@@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000026578130 KK Annotated Anodyne CCC1=C(C(=O)OCN(C)C)[C@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000026578131 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000026578309 KK Annotated Anodyne CCCN(CCC)c1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2-c2ccc(NC)cc2)cc1 ZINC000026578323 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)c1cccc(Br)c1)[C@@H]3OC(=O)c1cccc(Br)c1 ZINC000026578442 KK Annotated Anodyne CCCCCCn1c(-c2ccc(C(=O)OC)cc2)nc(-c2ccc(N(C)C)cc2)c1-c1ccc(N(C)C)cc1 ZINC000026578595 KK Annotated Anodyne C#CCCCn1c2ccccc2c2cc[n+]3nc(-c4cccc5ccccc45)c(-c4cccc5ccccc45)cc3c21 ZINC000026578738 KK Annotated Mild CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Oc1c(OC)cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc1OC ZINC000026578741 KK Annotated Anodyne CCCOc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)Cc4ccc(C)cc4)c(C(=O)c4ccccc4)c3)o2)cc1 ZINC000026578788 KK Annotated Anodyne CCOc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)Cc4ccc(C)cc4)c(C(=O)c4ccccc4)c3)o2)cc1 ZINC000026578870 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000026579056 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000026579057 KK Annotated Anodyne CCCC(=O)Oc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC(=O)CCC)c(OC(=O)CCC)c2)cc1OC(=O)CCC ZINC000026579061 KK Annotated Anodyne Cc1c(O)c2c(=O)c3c(O)c(C)c(O)c4c5c(O)c(C)c(O)c6c(=O)c7c(O)c(C)c(O)c8c(c1O)c2c(c34)c(c78)c65 ZINC000026579087 KK Annotated Bother O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(-c4cccc(Cl)c4)o3)c21 ZINC000026579111 KK Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(-c4cccc(C(F)(F)F)c4)o3)c21 ZINC000026579231 KK Annotated Mild O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(-c4ccccc4C(F)(F)F)o3)c21 ZINC000026579586 KK Annotated Mild O=C(Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026579615 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc(=O)n(C)c2)c1 ZINC000026579618 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)Nc1cccc2ccccc12)[C@@H]3OC(=O)Nc1cccc2ccccc12 ZINC000026579824 KK Annotated Anodyne COc1cc(OC)c2c(O)c(-c3cc(-c4ccc(O)cc4O)c4cc(OC)cc(OC)c4c3O)cc(-c3ccc(O)cc3O)c2c1 ZINC000026580034 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@H]1C[C@](C)(CNC(=O)c3ccccc3-c3ccccc3C(=O)O)CC[C@]21C ZINC000026580046 KK Annotated Anodyne CC1(C)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026580357 KK Annotated Anodyne CC1(C)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026580358 KK Annotated Anodyne O=C1C=CC2(Oc3cccc4cccc(c34)O2)c2cccc(OCc3ccc(-c4ccc(Br)cc4)o3)c21 ZINC000026637334 KK Annotated Mild CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026637870 KK Annotated Anodyne CCCc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026637876 KK Annotated Anodyne CC(C)(C)c1cc(/C=C2\C(=O)c3ccc(O)cc3O[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026638072 KK Annotated Mild CC(C)(C)c1cc(/C=C2\C(=O)c3ccc(O)cc3O[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000026638078 KK Annotated Mild COc1cc(C)cc2c(-c3ccc(O)cc3O)cc(-c3cc(-c4ccc(O)cc4O)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000026639880 KK Annotated Anodyne COc1cccc2c(-c3ccc(O)cc3O)cc(-c3cc(-c4ccc(O)cc4O)c4cccc(OC)c4c3O)c(O)c12 ZINC000026639886 KK Annotated Anodyne COc1cc(C)cc2c(-c3cccs3)cc(-c3cc(-c4cccs4)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000026640404 KK Annotated Anodyne CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026640811 KK Annotated Anodyne CC(C)c1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026640817 KK Annotated Anodyne Brc1cccc(C2(c3cccc(Br)c3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1 ZINC000026642225 KK Annotated Anodyne Brc1cccc(C2(c3cccc(Br)c3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1 ZINC000026642231 KK Annotated Anodyne CC1(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026642560 KK Annotated Clean CC1(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026642567 KK Annotated Clean Brc1ccc(C2(c3ccc(Br)cc3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 ZINC000026643035 KK Annotated Anodyne Brc1ccc(C2(c3ccc(Br)cc3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)cc1 ZINC000026643041 KK Annotated Anodyne N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@@H](c1ccc(O)cc1)C2 ZINC000026643607 KK Annotated Mild N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@H](c1ccc(O)cc1)C2 ZINC000026643613 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccc(O)cc2)C3)c1 ZINC000026645213 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccc(O)cc2)C3)c1 ZINC000026645218 KK Annotated Mild COc1cc(C)cc2c(-c3cccc(N)c3)cc(-c3cc(-c4cccc(N)c4)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000026645288 KK Annotated Anodyne COc1cc(OC)c2c(O)c(-c3cc(-c4cccc([N+](=O)[O-])c4)c4cc(OC)cc(OC)c4c3O)cc(-c3cccc([N+](=O)[O-])c3)c2c1 ZINC000026645777 KK Annotated Bother NC(=O)CN(C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000026646636 KK Annotated Anodyne O=S(=O)(c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 ZINC000026647196 KK Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccc(Oc6ccccc6)cc5)no4)CC3)c(F)c2)C(=O)O1 ZINC000026647562 KK Annotated Anodyne COc1cc(OC)c2c(O)c(-c3cc(-c4cccc(N)c4)c4cc(OC)cc(OC)c4c3O)cc(-c3cccc(N)c3)c2c1 ZINC000026647977 KK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)(CCC)O[C@@H](OC(=O)CC)C(C)C)cc1)c1ccc(C)cc1 ZINC000026648698 KK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)(CCC)O[C@H](OC(=O)CC)C(C)C)cc1)c1ccc(C)cc1 ZINC000026648702 KK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@](=O)(CCC)O[C@H](OC(=O)CC)C(C)C)cc1)c1ccc(C)cc1 ZINC000026648707 KK Annotated Anodyne N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@H](c1ccccc1)C2 ZINC000026648963 KK Annotated Mild N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1CC[C@@H](c1ccccc1)C2 ZINC000026648968 KK Annotated Mild CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S@@](=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 ZINC000026649285 KK Annotated Anodyne CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S@](=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 ZINC000026649290 KK Annotated Anodyne COc1cccc2c(-c3cccs3)cc(-c3cc(-c4cccs4)c4cccc(OC)c4c3O)c(O)c12 ZINC000026649326 KK Annotated Anodyne C=CC(C)(C)c1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000026649450 KK Annotated Mild in-vivo COc1cc(OC)c2c(O)c(-c3cc(-c4cccs4)c4cc(OC)cc(OC)c4c3O)cc(-c3cccs3)c2c1 ZINC000026651822 KK Annotated Anodyne COc1cccc2c(-c3cccc(N)c3)cc(-c3cc(-c4cccc(N)c4)c4cccc(OC)c4c3O)c(O)c12 ZINC000026651826 KK Annotated Anodyne O=S(=O)(c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1)N(CCc1ccc(F)cc1)Cc1c[nH]cn1 ZINC000026653536 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026654192 KK Annotated Anodyne in-vitro CC(C)(C)c1cc(-c2cc(-c3cc(-c4ccccc4)c(O)c(-c4ccccc4)c3)[nH]n2)cc(C(C)(C)C)c1O ZINC000026656729 KK Annotated Anodyne COc1ccc(CN2C[C@H](OC[C@@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]3C=C(C(C)C)[C@@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000026657283 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@@]4(C=O)C[C@@H]3C=C(C(C)C)[C@@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000026657288 KK Annotated Mild COc1c2c(c(OC)c3c(=O)cc(CN4CCC(CCC5CCN(Cc6cc(=O)c7c(OC)c8c(c(OC)c7o6)OCC8)CC5)CC4)oc13)CCO2 ZINC000026657756 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](c2ccc(O)cc2)C3)c(Cl)cc1Cl ZINC000026658207 KK Annotated Mild CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](c2ccc(O)cc2)C3)c(Cl)cc1Cl ZINC000026658213 KK Annotated Mild O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 ZINC000026658885 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCC[C@@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000026663155 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)OCC[C@]3(C)CCc4c(C)c(OC(C)=O)c(C)c(C)c4O3)ccc2c1 ZINC000026663161 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@]123)C4(C)C ZINC000026664029 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@]123)C4(C)C ZINC000026664033 KK Annotated Mild CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCc4c3C)C(=O)[C@@]1(C)CC ZINC000026664227 KK Annotated Bother O=S(=O)(c1ccc(NCCc2ccc(Cl)cc2Cl)cc1)N(Cc1c[nH]cn1)CC1CCCCC1 ZINC000026664624 KK Annotated Anodyne O=C(OCC#CCCCCCC#CCS(=O)(=O)c1ccccc1)c1ccc2cc3ccccc3cc2c1 ZINC000026665274 KK Annotated Mild C=C(Cl)CN1CC[C@H](OC[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)O[C@H](C)C1 ZINC000026665407 KK Annotated Mild O=C(OCC#CCCCCCC#CCS(=O)(=O)c1ccccc1)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000026666154 KK Annotated Mild O=C(OCC#CCCCCCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1cccc2cc3ccccc3cc12 ZINC000026666159 KK Annotated Mild O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(CC4CC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026666268 KK Annotated Anodyne CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cc[n+](Cc5ccc(OC(=O)C(C)(C)C)cc5)c4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000026666750 KK Annotated Clean CC(=O)Oc1c(C)cc(C[n+]2ccn(C[C@]3(c4ccc(Cl)cc4Cl)OC[C@H](COc4ccc(N5CCN(C(C)=O)CC5)cc4)O3)c2)cc1C ZINC000026667250 KK Annotated Clean CC(=O)Oc1ccc(C[n+]2ccn(C[C@]3(c4ccc(Cl)cc4Cl)OC[C@H](COc4ccc(N5CCN(C(C)=O)CC5)cc4)O3)c2)cc1 ZINC000026669365 KK Annotated Clean O=C(OCC#CCCCCCC#CCS(=O)(=O)c1ccccc1)c1cccc2cc3ccccc3cc12 ZINC000026669741 KK Annotated Mild CC(=O)Oc1ccc(C[n+]2ccn(C[C@]3(c4ccc(Cl)cc4Cl)OC[C@H](COc4ccc(N5CCN(C(C)=O)CC5)cc4)O3)c2)cc1C ZINC000026670162 KK Annotated Clean O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(CC4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026670171 KK Annotated Anodyne C[C@@H](C1CC1)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000026670464 KK Annotated Anodyne C[C@H](C1CC1)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1 ZINC000026670468 KK Annotated Anodyne COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CC[C@@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026671572 KK Annotated Anodyne COc1ccc(COc2ccc(-c3cc(/C=C4\CN5CC[C@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026671576 KK Annotated Anodyne CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCc4c3C)[C@@](O)(CC)[C@@]1(C)O ZINC000026671925 KK Annotated Bother Cc1ccc(C[C@@H](O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(C(=O)N(CCO)C(C)(C)c2ccccc2)c1 ZINC000026671995 KK Annotated Anodyne Cc1ccc(C[C@H](O)CCc2ccccc2C(=O)N(CCO)C(C)(C)c2ccccc2)c(C(=O)N(CCO)C(C)(C)c2ccccc2)c1 ZINC000026671999 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C2(c3ccccc3)CCCC2)CCCC1 ZINC000026672178 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C2(c3ccccc3)CCCC2)CCCC1 ZINC000026672183 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(OCc3cccnc3)cc2)CCCC1 ZINC000026672254 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(OCc3cccnc3)cc2)CCCC1 ZINC000026672257 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CC(CO)CO)C(C)(C)c2ccccc2)CCCC1 ZINC000026672483 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CC(CO)CO)C(C)(C)c2ccccc2)CCCC1 ZINC000026672487 KK Annotated Anodyne COCCc1cc2nc1ccc1[nH]c(cc1CCOC)c1cc(CCOC)c(ccc3[nH]c2cc3CCOC)n1 ZINC000026672512 KK Annotated Bother O=C(OCC#CCCCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1cccc2cc3ccccc3cc12 ZINC000026672516 KK Annotated Mild O=C(CSC(=O)c1ccccc1)NC[C@H](c1ccccc1)[C@@H](CNC(=O)CSC(=O)c1ccccc1)c1ccccc1 ZINC000026672910 KK Annotated Anodyne O=C(CSC(=O)c1ccccc1)NC[C@@H](c1ccccc1)[C@@H](CNC(=O)CSC(=O)c1ccccc1)c1ccccc1 ZINC000026672914 KK Annotated Anodyne O=C(CSC(=O)c1ccccc1)NC[C@H](c1ccccc1)[C@H](CNC(=O)CSC(=O)c1ccccc1)c1ccccc1 ZINC000026672918 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(OCCN3CCOCC3)cc2)CCCC1 ZINC000026673428 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccc(OCCN3CCOCC3)cc2)CCCC1 ZINC000026673431 KK Annotated Anodyne O=C(OCC#CCCCCCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000026673554 KK Annotated Mild COCCc1cc2nc1ccc1[nH]c(c3cc(CCOC)c(ccc4[nH]c2cc4CCOC)n3)c2c(C(=O)OC)c(C(=O)O)ccc12 ZINC000026673782 KK Annotated Bother CCCc1cc2nc1ccc1[nH]c(cc1CCOC)c1cc(CCOC)c(ccc3[nH]c2cc3CCC)n1 ZINC000026673977 KK Annotated Bother O=C(OCC#CCCCCC#CCS(=O)(=O)c1ccc2ccccc2c1)c1cccc2cc3ccccc3cc12 ZINC000026674018 KK Annotated Mild CCCCC[C@@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674600 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674603 KK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674606 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CN(CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000026674609 KK Annotated Anodyne CCCc1cc2nc1ccc1[nH]c(cc1CCC)c1cc(CCC)c(n1)c(OC(C)=O)cc1[nH]c2cc1CCC ZINC000026674893 KK Annotated Bother O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(C4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl ZINC000026675160 KK Annotated Anodyne Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN5CCC[C@H]5C4)c3c2)sc2ccc(Cl)cc12 ZINC000026716258 KK Annotated Anodyne COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CC[C@@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026716732 KK Annotated Anodyne COc1ccc(COc2ccc(-c3cc(/C=C4/CN5CC[C@H]4C5)on3)cc2OCc2ccc(OC)cc2)cc1 ZINC000026716737 KK Annotated Anodyne CCC[C@@H](C)N(CC(=O)NO)C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCCc2ccccc21 ZINC000026717160 KK Annotated Bother CCC[C@H](C)N(CC(=O)NO)C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@@H]1CCCc2ccccc21 ZINC000026717165 KK Annotated Bother CCC[C@@H](C)N(CC(=O)NO)C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@H]1CCCc2ccccc21 ZINC000026717169 KK Annotated Bother CCC[C@H](C)N(CC(=O)NO)C(=O)CN(C(=O)Nc1ccc2ccccc2c1)[C@H]1CCCc2ccccc21 ZINC000026717174 KK Annotated Bother CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@H](c2ccc3c(c2)OCO3)N2N=C(c3cccs3)CCC2=O)cc1 ZINC000026717551 KK Annotated Mild CC(C)c1ccc(S(=O)(=O)/N=C(\O)[C@@H](c2ccc3c(c2)OCO3)N2N=C(c3cccs3)CCC2=O)cc1 ZINC000026717556 KK Annotated Mild CC(C)Oc1cccc(CC(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c1 ZINC000026718015 KK Annotated Anodyne CC(C)Oc1cccc(CC(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc4c(c3)OCO4)C2)c1 ZINC000026718020 KK Annotated Anodyne C[S@@](=O)c1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 ZINC000026718547 KK Annotated Anodyne C[S@](=O)c1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 ZINC000026718552 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CC2COC(C)(C)OC2)C(C)(C)c2ccccc2)CCCC1 ZINC000026718597 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CC2COC(C)(C)OC2)C(C)(C)c2ccccc2)CCCC1 ZINC000026718602 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CC[C@@H](O)CO)C(C)(C)c2ccccc2)CCCC1 ZINC000026719003 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CC[C@@H](O)CO)C(C)(C)c2ccccc2)CCCC1 ZINC000026719008 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@@H](O)Cc2ccc(C)cc2C(=O)N(CC[C@H](O)CO)C(C)(C)c2ccccc2)CCCC1 ZINC000026719013 KK Annotated Anodyne CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CC[C@H](O)CO)C(C)(C)c2ccccc2)CCCC1 ZINC000026719018 KK 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)OCc1ccccc1 ZINC000026720838 KK Annotated Mild O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCc2ccccc21)[C@@H]1CCCc2ccccc21)NO ZINC000026722274 KK Annotated Bother O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCc2ccccc21)[C@H]1CCCc2ccccc21)NO ZINC000026722281 KK Annotated Bother O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2ccccc21)[C@@H]1CCCc2ccccc21)NO ZINC000026722288 KK Annotated Bother O=C(CN(C(=O)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2ccccc21)[C@H]1CCCc2ccccc21)NO ZINC000026722295 KK Annotated Bother CS(=O)(=O)c1ccc(/C=C/CCCCOc2ccc(C(=O)c3cccc(C(=O)O)c3)cc2CCC(=O)O)cc1 ZINC000026725306 KK Annotated Anodyne Cc1c(S(=O)(=O)Nc2ccc3nccc(N4C[C@@H](C)NC[C@@H]4C)c3c2)sc2ccc(Cl)cc12 ZINC000026726693 KK Annotated Anodyne CC(C)=CCC[C@H](C)[C@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C(F)(F)P(=O)(O)O)cc1 ZINC000026726706 KK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C(F)(F)P(=O)(O)O)cc1 ZINC000026726711 KK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C(F)(F)P(=O)(O)O)cc1 ZINC000026726715 KK Annotated Anodyne CC(C)=CCC[C@@H](C)[C@@H](C(=O)NC1CCCCC1)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(C(F)(F)P(=O)(O)O)cc1 ZINC000026726719 KK Annotated Anodyne CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C1=O ZINC000026728386 KK Annotated Anodyne Cc1c(S(=O)(=O)Nc2ccc3nccc(N4CCN[C@H](C(C)C)C4)c3c2)sc2ccc(Cl)cc12 ZINC000026729958 KK Annotated Anodyne O=C1C(Sc2cccc3ccccc23)=C(Sc2cccc3ccccc23)C(=O)c2c(Cl)ccc(O)c21 ZINC000026731935 KK Annotated Mild CC(C)c1c(S(=O)(=O)Nc2ccc3nccc(N4CCNCC4)c3c2)sc2ccc(Cl)cc12 ZINC000026736172 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N[C@H](CC(=O)N[C@@H](C(=O)O)c2ccccc2)CC(C)C)cc1 ZINC000026736763 KK Annotated Anodyne CO[P@@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026740789 KK Annotated Anodyne CO[P@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026740794 KK Annotated Anodyne CO[P@@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)NC(=O)Cc1c(C(C)C)cccc1C(C)C ZINC000026740799 KK Annotated Anodyne CO[P@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)NC(=O)Cc1c(C(C)C)cccc1C(C)C ZINC000026740804 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]5[C@H](C[C@]4(C)C3=CC[C@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000026743664 KK Annotated Anodyne in-vivo CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]5[C@H](C[C@]4(C)C3=CC[C@@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000026743671 KK Annotated Anodyne in-vivo CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]5[C@H](C[C@]4(C)C3=CC[C@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000026743676 KK Annotated Anodyne in-vivo CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]4[C@H](C[C@]32C)OC(=O)[C@@H]4CC(=O)C=C(C)C)[C@]1(C)C(=O)O ZINC000026743681 KK Annotated Anodyne in-vivo CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000026743798 KK Annotated Anodyne CO[P@@](=O)(NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cccc1C(C)C ZINC000026744076 KK Annotated Anodyne CO[P@](=O)(NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cccc1C(C)C ZINC000026744081 KK Annotated Anodyne C[C@@H](O[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026744167 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CCC(C)C)CC(=O)N(CCC(=O)O)CCc2ccccc2)cc1 ZINC000026744391 KK Annotated Anodyne CC(C)(Oc1cccc(CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O ZINC000026744992 KK Annotated Anodyne COc1cccc2c1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCOCc2ccccc2)C1(C)C ZINC000026745243 KK Annotated Mild CC1=C2[C@@H](Sc3ccccc3)[C@H](OCCOCc3ccccc3)c3cccc(O)c3[C@H](OCc3ccccc3)[C@](O)(CC1=O)C2(C)C ZINC000026745248 KK Annotated Mild CC1=C2[C@@H](Sc3ccccc3)[C@H](OCCO)c3cccc(O)c3[C@H](OCc3ccccc3)[C@](O)(CC1=O)C2(C)C ZINC000026745254 KK Annotated Mild O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 ZINC000026745327 KK Annotated Anodyne O=C(CC[C@@]1(CO)OC(=O)c2c(OCc3ccccc3)cccc21)c1ccccc1C(=O)OC[C@@]1(CO)OC(=O)c2c(OCc3ccccc3)cccc21 ZINC000026745370 KK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O ZINC000026745459 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N(CCC(C)C)CC(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 ZINC000026745548 KK Annotated Anodyne CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000026745598 KK Annotated Anodyne CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000026745603 KK Annotated Anodyne CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000026745608 KK Annotated Anodyne CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N(C(=O)c1ccc[n+](Cc3ccccc3)c1)[C@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000026745612 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Br)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000026746461 KK Annotated Anodyne COc1cccc2c1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCBr)C1(C)C ZINC000026746853 KK Annotated Reactive CC(C)(Oc1cccc(CCCN(C(=O)COc2ccc(Cl)c(Cl)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O ZINC000026747370 KK Annotated Anodyne CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(N=C=O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)C(=O)O ZINC000026747391 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C4SCCCS4)c35)[nH]c2c(OC)c1OC ZINC000026747761 KK Annotated Mild CO[P@@](=O)(Cc1c(C(C)C)cccc1C(C)C)NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026747789 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)SCc4ccccc4)c35)[nH]c2c(OC)c1OC ZINC000026749173 KK Annotated Mild COc1cccc2c1[C@H](OCc1ccccc1)[C@]1(O)CC(=O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCOCc2ccccc2)C1(C)C ZINC000026749336 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)Sc4ccc6ccccc6c4)c35)[nH]c2c(OC)c1OC ZINC000026749471 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)c3[nH]c(C)c(C(=O)Sc4ccccc4)c35)[nH]c2c(OC)c1OC ZINC000026749484 KK Annotated Mild CC(C)(Oc1cccc(CCCN(C(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O ZINC000026749852 KK Annotated Anodyne CCCC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000026750155 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(CO)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026750382 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026750571 KK Annotated Reactive COc1ccc(/C=C/[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000026751573 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026751646 KK Annotated Anodyne C=C(S/C(=N\C(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)NCCC(=O)O)c1ccccc1 ZINC000026751856 KK Annotated Mild COC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[P@](=O)(O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C ZINC000026752085 KK Annotated Anodyne OC1(CCCc2ccc(-c3nnn[nH]3)cc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000026752204 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3csc(C)n3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026752325 KK Annotated Anodyne CO[P@@](=O)(NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cc(Cl)cc1C(C)C ZINC000026752807 KK Annotated Anodyne CO[P@](=O)(NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)Oc1c(C(C)C)cc(Cl)cc1C(C)C ZINC000026752812 KK Annotated Anodyne COc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000026752996 KK Annotated Anodyne CCCCC/C=C/C/C=C/CCCCCCC=C(c1cccc2cc(S(=O)(=O)O)ccc12)c1cccc2cc(S(=O)(=O)O)ccc12 ZINC000026753143 KK Annotated Anodyne O=S(=O)(O)c1ccc2c(C(=CC3CCCCCCCCCCCCCC3)c3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1 ZINC000026815527 KK Annotated Anodyne O=S(=O)(O)c1ccc2c(C(=CCCc3ccc4ccccc4c3)c3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1 ZINC000026815532 KK Annotated Anodyne O=S(=O)(O)c1ccc2c(C(=CCCc3ccc4c(c3)CCc3ccccc3-4)c3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1 ZINC000026815626 KK Annotated Anodyne O=S(=O)(O)c1ccc2c(C(=CC3CCCCCCCCC3)c3cccc4cc(S(=O)(=O)O)ccc34)cccc2c1 ZINC000026816364 KK Annotated Anodyne Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc(C)c1/C=C/c1cccc(C(=O)O)c1 ZINC000026816396 KK Annotated Anodyne C[C@@H](NCCc1ccccc1-n1ccnc1)[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 ZINC000026817016 KK Annotated Anodyne C[C@H](NCCc1ccccc1-n1ccnc1)[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 ZINC000026817021 KK Annotated Anodyne Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)cc(C)c1/C=C/c1ccc(C(=O)O)cc1 ZINC000026817121 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026817371 KK Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026817376 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026817446 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@@H](CCc5ccccc5)NCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 ZINC000026817534 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@H](CCc5ccccc5)NCc5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@H]12 ZINC000026817538 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026817820 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](c1cc(Br)cc(Br)c1O)N1CCN(c2ccccn2)CC1 ZINC000026818810 KK Annotated Clean CCOP(=O)(OCC)[C@@H](c1cc(Br)cc(Br)c1O)N1CCN(c2ccccn2)CC1 ZINC000026818814 KK Annotated Clean Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000026818876 KK Annotated Bother Cn1nnc(-c2ccc(CCCC3(O)CCN(C[C@H]4CN(CC5CCCCC5)C[C@@H]4c4ccccc4)CC3)cc2)n1 ZINC000026819171 KK Annotated Anodyne CC(=O)Oc1ccc([C@H]2Oc3cc(OC(C)=O)cc4c3[C@@H]2c2cc(OC(C)=O)cc(OC(C)=O)c2[C@H](c2ccc(OC(C)=O)cc2)[C@H]4OC(C)=O)cc1 ZINC000026819646 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccc(O)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026819808 KK Annotated Anodyne C[C@H](NC(=O)N(C(=O)OC(C)(C)C)[C@@H](Cc1ccncc1)C(=O)O)[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 ZINC000026820914 KK Annotated Anodyne C[C@H](NC(=O)N(C(=O)OC(C)(C)C)[C@H](Cc1ccncc1)C(=O)O)[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 ZINC000026820919 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026820967 KK Annotated Reactive CCCCCCOC(=O)c1c(Br)c(OC)c2c(c1-c1c3c(c(OC)c(Br)c1C(=O)OCCCCCC)OCO3)OCO2 ZINC000026821509 KK Annotated Anodyne O=S(=O)(CCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 ZINC000026822003 KK Annotated Reactive C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Cl)c(S(=O)(=O)/N=C(\O)c2ccc3cc(C(F)(F)P(=O)(O)O)ccc3c2)c1 ZINC000026822174 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026822317 KK Annotated Anodyne O=C(O)[C@@H](c1ccccc1)N1C[C@H](CN2CCC(O)(CCCc3ccccc3)CC2)[C@@H](c2ccccc2)C1 ZINC000026823837 KK Annotated Anodyne CC(=O)C1(c2ccccc2)CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(Cl)cc23)CC1 ZINC000026824223 KK Annotated Anodyne CCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000026824597 KK Annotated Anodyne CCOc1ccc(CCOC(c2ccccc2)(c2ccccc2)[C@H](Oc2nc(C)cc(C)n2)C(=O)O)cc1OC ZINC000026824600 KK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OC[C@H]2COC(C)(C)O2)[C@H]1C#Cc1ccccc1 ZINC000026824836 KK Annotated Mild CC(=O)Oc1ccc([C@@H]2c3c(OC(C)=O)cc(OC(C)=O)cc3[C@@H]3c4c(OC(C)=O)cc(OC(C)=O)cc4[C@H]2[C@H]3c2ccc(OC(C)=O)cc2)cc1 ZINC000026825728 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc3c2[C@H](c2cc(OC(C)=O)cc(OC(C)=O)c2)[C@@H](c2ccc(OC(C)=O)cc2)O3)cc1 ZINC000026825734 KK Annotated Anodyne CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O ZINC000026826458 KK Annotated Anodyne CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O ZINC000026826468 KK Annotated Anodyne CC(=O)O[C@H]([C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)C(C)(C)O ZINC000026826471 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)C2=C3C[C@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O[C@H]1C(C)(C)O ZINC000026826476 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O[C@H]1C(C)(C)O ZINC000026826479 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)C2=C3C[C@H](O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O[C@H]1C(C)(C)O ZINC000026826483 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O[C@H]1C(C)(C)O ZINC000026826488 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026826492 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026826496 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026826500 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2[C@H](O)[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026826504 KK Annotated Anodyne CC(C)(C)C(=O)N1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1CN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026826600 KK Annotated Anodyne C=CCCC(=O)O[C@@H]1c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC(C)(C)[C@@H]1OC(=O)CCC=C ZINC000026826947 KK Annotated Mild CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)NC(C)(C)C)[C@@H]1c1ccccc1Cl ZINC000026828265 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)[C@@H]3[C@H](CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H]5OC5(C)C)CC[C@@]42C)OC(=O)C[C@@]13C ZINC000026828295 KK Annotated Anodyne COC(=O)C(C)(C)[C@H]1CC[C@@]2(C)[C@@H]3[C@H](CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H]5OC5(C)C)CC[C@@]42C)OC(=O)C[C@@]13C ZINC000026828299 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)[C@H]3[C@H](CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H]5OC5(C)C)CC[C@@]42C)OC(=O)C[C@]31C ZINC000026828303 KK Annotated Anodyne COC(=O)C(C)(C)[C@H]1CC[C@@]2(C)[C@H]3[C@H](CC4=C([C@H](C)C[C@H](OC(C)=O)[C@H]5OC5(C)C)CC[C@@]42C)OC(=O)C[C@@]13C ZINC000026828308 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 ZINC000026828316 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000026828321 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026828500 KK Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]2CN3C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000026828709 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026828729 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026828739 KK Annotated Anodyne Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2cccc3ccccc23)c1 ZINC000026829343 KK Annotated Anodyne Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2Cc2ccc3ccccc3c2)c1 ZINC000026829348 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3cc(C)ccc3C)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000026829651 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F ZINC000026829981 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F ZINC000026829985 KK Annotated Anodyne O=C1[C@@H]2CN(C(=O)c3sc4ccccc4c3Cl)C3(CCNCC3)[C@@H]2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000026830529 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 ZINC000026830797 KK Annotated Reactive C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(Cn2cnc3ccccc32)c2ccccc2)CC1 ZINC000026831115 KK Annotated Mild C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@](C)(Cn2cnc3ccccc32)c2ccccc2)CC1 ZINC000026831119 KK Annotated Mild CCO/C(O)=C1\C(COCCn2c(C)nc3ncccc32)=NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026831282 KK Annotated Anodyne CCO/C(O)=C1\C(COCCn2c(C)nc3ncccc32)=NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026831285 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)NC1(C(N)=O)CCCCC1)Cc1ccc(Cl)cc1 ZINC000026831521 KK Annotated Anodyne CN(CCNC(=O)c1cc(Cl)c2c(=O)c3ccccc3[nH]c2c1)CCNC(=O)c1ccc(Cl)c2c(=O)c3ccccc3[nH]c12 ZINC000026831662 KK Annotated Bother CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H](O)C(C)(C)O ZINC000026831780 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H](O)C(C)(C)O ZINC000026831788 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1)[C@H](O)C(C)(C)O ZINC000026831792 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832137 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832145 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026832149 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 ZINC000026832274 KK Annotated Anodyne O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026833517 KK Annotated Anodyne O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1C[C@@H](CCN1CCC(c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000026833520 KK Annotated Anodyne O=C1CC2(CCN(CC[C@@H](CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833525 KK Annotated Anodyne O=C1CC2(CCN(CC[C@H](CN3C(=O)N[C@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833529 KK Annotated Anodyne O=C1CC2(CCN(CC[C@@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833533 KK Annotated Anodyne O=C1CC2(CCN(CC[C@H](CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026833537 KK Annotated Anodyne CCO/C(O)=C1\C(COCCn2c(C)nc3cccnc32)=NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026833644 KK Annotated Anodyne CCO/C(O)=C1\C(COCCn2c(C)nc3cccnc32)=NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026833648 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Cl)c(Cl)s1 ZINC000026833732 KK Annotated Anodyne Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3csc(-c4ccccc4)n3)cc2C(=O)c2ccccc2)cc1 ZINC000026834444 KK Annotated Anodyne CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)NC(C)(C)C)[C@H]1c1ccccc1Cl ZINC000026834517 KK Annotated Anodyne COc1cc(O[C@H](C)c2ccncc2)c(F)cc1C(=O)N1CCC(N2C(=O)OCc3ccccc32)CC1 ZINC000026834531 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026834840 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026834842 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C=C[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026834844 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000026834847 KK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OC[C@H]2COC(C)(C)O2)[C@@H]1C#Cc1ccccc1 ZINC000026835054 KK Annotated Mild CCCCC/C=C/C(=O)O[C@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@@H](O)CCC)N(C(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000026835227 KK Annotated Anodyne CCCCC/C=C/C(=O)O[C@H]1C[C@H]2[C@H](CCC[C@H]2CCCC[C@H](O)CCC)N(C(=O)c2ccc(Br)cc2)[C@@H]1C ZINC000026835231 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 ZINC000026835253 KK Annotated Reactive O=C1CC2(CCN(CC[C@@H](CN3C(=O)N[C@@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026835396 KK Annotated Anodyne O=C1CC2(CCN(CC[C@H](CN3C(=O)N[C@@H](c4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21 ZINC000026835397 KK Annotated Anodyne Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3csc(-c4ccc([N+](=O)[O-])cc4)n3)cc2C(=O)c2ccccc2)cc1 ZINC000026835407 KK Annotated Bother CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@@H](C(C)(C)C(=O)O)CC[C@@](C)([C@@H]34)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835545 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@]4(C)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)O)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835548 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@@H](C(C)(C)C(=O)O)CC[C@@](C)([C@H]34)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835551 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2C[C@@H]3OC(=O)C[C@@]4(C)[C@H](C(C)(C)C(=O)O)CC[C@@](C)([C@H]34)[C@@]2(C)CC1)[C@H]1OC1(C)C ZINC000026835553 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C(=O)CC[C@@]1(C)C(=O)C=C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C)[C@H]1OC1(C)C ZINC000026835556 KK Annotated Mild CC(=O)O[C@@H](C[C@@H](C)C(=O)CC[C@@]1(C)C(=O)C=C[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C)[C@H]1OC1(C)C ZINC000026835559 KK Annotated Mild CC(=O)O[C@@H](C[C@@H](C)C(=O)CC[C@@]1(C)C(=O)C=C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]21C)[C@H]1OC1(C)C ZINC000026835563 KK Annotated Mild CC(=O)O[C@@H](C[C@@H](C)C(=O)CC[C@@]1(C)C(=O)C=C[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]21C)[C@H]1OC1(C)C ZINC000026835566 KK Annotated Mild CCNC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026835665 KK Annotated Anodyne CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026835771 KK Annotated Anodyne CCO/C(O)=C1\C(COCCn2c(C)nc3ccccc32)=NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026835775 KK Annotated Anodyne CCc1nc(C2CC2)c(C(=O)NCC(C)C)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026835880 KK Annotated Anodyne CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(Br)cc(Br)cn12 ZINC000026835995 KK Annotated Anodyne NCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026836047 KK Annotated Clean Cc1cccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c1 ZINC000026836263 KK Annotated Anodyne CCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026836543 KK Annotated Clean CC[C@@H](C)C(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026836562 KK Annotated Clean CC[C@H](C)C(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026836564 KK Annotated Clean CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(C(F)(F)F)c2c1 ZINC000026836661 KK Annotated Anodyne CCCOc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026836998 KK Annotated Anodyne CC(C)COc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026837058 KK Annotated Anodyne CCOC(=O)C1=C(c2ccc(-n3c(CC)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026837098 KK Annotated Anodyne CCOC(=O)C1=C(c2ccc(-n3c(CC)nc4cnccc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026837102 KK Annotated Anodyne CCCCOc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026837267 KK Annotated Anodyne Nc1nc(Sc2ccc(Cl)cc2)c2ncn(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c2n1 ZINC000026837651 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccc(I)cc3)[C@H]2c2ccc(O)cc2)cc1 ZINC000026838203 KK Annotated Anodyne CNC(=O)c1c(C)nc(C)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)c(Br)c2c1 ZINC000026838230 KK Annotated Anodyne CCCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026838585 KK Annotated Clean CCOC(=O)C1=C(c2ccc(-c3c(C)nc4sccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026838735 KK Annotated Anodyne CCOC(=O)C1=C(c2ccc(-c3c(C)nc4sccn34)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026838738 KK Annotated Anodyne C[C@@](CCN1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(Cl)c1 ZINC000026839070 KK Annotated Anodyne C[C@](CCN1CCC(c2ccccc2)CC1)(CN1C(=O)N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1cccc(Cl)c1 ZINC000026839074 KK Annotated Anodyne CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026839213 KK Annotated Clean CC(C)c1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026839285 KK Annotated Anodyne CCCC(=O)O[C@@H]1c2c(cc(OC)c3c(=O)c4cc5ccccc5cc4n(C)c23)OC(C)(C)[C@@H]1OC(=O)CCC ZINC000026839569 KK Annotated Bother CCCCNC(=O)c1cccc2c(Nc3ccc(NS(=O)(=O)CCC)cc3OC)c3ccccc3nc12 ZINC000026839594 KK Annotated Clean C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@](C)(c2ccccc2)[C@H]2c3ccccc3C(=O)N2CC)CC1 ZINC000026840698 KK Annotated Mild C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@](C)(c2ccccc2)[C@@H]2c3ccccc3C(=O)N2CC)CC1 ZINC000026840702 KK Annotated Mild C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(c2ccccc2)[C@H]2c3ccccc3C(=O)N2CC)CC1 ZINC000026840706 KK Annotated Mild C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@](C)(c2ccccc2)[C@@H]2c3ccccc3C(=O)N2CC)CC1 ZINC000026840712 KK Annotated Mild CCc1nc(C2CC2)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3NS(=O)(=O)C(F)(F)F)cc2c1 ZINC000026840809 KK Annotated Anodyne CCCCc1ccc(/C=C/S(=O)(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)c(CCC)s2)cc1 ZINC000026841210 KK Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000026841222 KK Annotated Mild NCCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026841589 KK Annotated Clean CS(=O)(=O)Nc1ccc(Nc2c3ccc(Br)cc3nc3cc(Br)ccc23)cc1 ZINC000026842372 KK Annotated Clean COC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)SC)c1)c1cc(Cl)c(OC)c(C(=O)SC)c1 ZINC000026842772 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2cc(N)c(Br)cc2nc2c(C)cccc12 ZINC000026842783 KK Annotated Clean Cc1ccccc1Sc1nc(N)nc2c1ncn2CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000026843029 KK Annotated Anodyne CCCOC(=O)CCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000026843257 KK Annotated Anodyne CCc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026843408 KK Annotated Anodyne CCCOC(=O)CCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026843773 KK Annotated Clean Cc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026843956 KK Annotated Anodyne CCOC(=O)CCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)S(C)(=O)=O ZINC000026844386 KK Annotated Clean CCN1/C(=C/C=c2/c(=O)n(CC)/c(=C\c3sc4c5ccccc5ccc4[n+]3CC)n2CC)Sc2ccc3ccccc3c21 ZINC000026845079 KK Annotated Anodyne CCOc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026845141 KK Annotated Anodyne CCOC(=O)C1=C(c2ccc(-n3c(C)nc4c(C)nc(C)cc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@@H]1c1ccccc1Cl ZINC000026845534 KK Annotated Anodyne CCOC(=O)C1=C(c2ccc(-n3c(C)nc4c(C)nc(C)cc43)cc2)NC(C)=C(C(=O)Nc2ccccn2)[C@H]1c1ccccc1Cl ZINC000026845544 KK Annotated Anodyne CCOC(=O)c1cc(C(=CCCCC(=O)OC)c2cc(C)c(OCC)c(C(=O)OCC)c2)cc(C)c1OCC ZINC000026846204 KK Annotated Anodyne N=C(N)NCCCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 ZINC000026846452 KK Annotated Clean CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 ZINC000026846879 KK Annotated Mild Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN[C@@H]4NCCCS4)cc3)c3cccc(C)c3nc12 ZINC000026846983 KK Annotated Clean Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN[C@H]4NCCCS4)cc3)c3cccc(C)c3nc12 ZINC000026846991 KK Annotated Clean CCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O ZINC000026847213 KK Annotated Clean Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OC(C)(C)C)c3ccc(Br)cc3)CC2)CC1 ZINC000026847272 KK Annotated Mild CCC(=O)N(c1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026847399 KK Annotated Clean CCCCCC=C(c1cc(Cl)c(OC)c(C(=S)OC)c1)c1cc(Cl)c(OC)c(C(=S)OC)c1 ZINC000026847425 KK Annotated Anodyne Nc1nc(Sc2ccc3ccccc3c2)c2ncn(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c2n1 ZINC000026847722 KK Annotated Anodyne CCO/N=C(\c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000026847918 KK Annotated Mild COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(I)cc3nc12 ZINC000026848068 KK Annotated Clean Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(I)cc3nc12 ZINC000026848073 KK Annotated Clean CCCOC(=O)c1cc(C(=CCCCC(=O)OC)c2cc(C)c(OCCC)c(C(=O)OCCC)c2)cc(C)c1OCCC ZINC000026848141 KK Annotated Anodyne CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000026848193 KK Annotated Anodyne Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4cc[nH]c4)CC3)[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000026848200 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2cc(Br)ccc12 ZINC000026848492 KK Annotated Clean COCCCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000026848690 KK Annotated Anodyne N=C(N)NC(=N)Nc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 ZINC000026848858 KK Annotated Clean CO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 ZINC000026848881 KK Annotated Mild CCCc1sc(NS(=O)(=O)/C=C/c2ccc3ccccc3c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026849227 KK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N/OC(C)C)c3ccc(Br)cc3)CC2)CC1 ZINC000026849357 KK Annotated Mild COC(=O)c1cc(C(=CCCCC(=O)OC(C)C)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000026849810 KK Annotated Anodyne CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(=O)NCCCC)cccc23)c(OC)c1 ZINC000026850348 KK Annotated Clean CCOc1c(C)cc(C(=CCCCC(=O)OC)c2cc(C)c(OCC)c(C(=O)OC)c2)cc1C(=O)OC ZINC000026850983 KK Annotated Anodyne COc1ccc(CCNCC[C@@H]2CN(S(=O)(=O)c3cccc4ccccc34)c3ccccc3O2)cc1OC ZINC000026851377 KK Annotated Anodyne COc1ccc(CCNCC[C@H]2CN(S(=O)(=O)c3cccc4ccccc34)c3ccccc3O2)cc1OC ZINC000026851383 KK Annotated Anodyne CC(=O)Nc1ccc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000026851731 KK Annotated Anodyne COC(=O)CCC/C=C(\c1cc(C)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000026852052 KK Annotated Anodyne CC(C)Oc1ccc(Sc2nc(N)nc3c2ncn3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)cc1 ZINC000026852175 KK Annotated Anodyne CCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O ZINC000026935268 KK Annotated Clean CCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000026935783 KK Annotated Clean COC(=O)CCCC(CCCC(=O)OC)=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000026936927 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2c(C)cccc12 ZINC000026937536 KK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2c(OC)cccc12 ZINC000026937541 KK Annotated Clean CCN1/C(=C/C=c2\s/c(=C\C3=[N+](CC)[C@H]4C=Cc5ccccc5[C@@H]4S3)n(CC)c2=O)Sc2ccc3ccccc3c21 ZINC000026938139 KK Annotated Anodyne CCN1/C(=C/C=c2\s/c(=C\C3=[N+](CC)[C@H]4C=Cc5ccccc5[C@H]4S3)n(CC)c2=O)Sc2ccc3ccccc3c21 ZINC000026938145 KK Annotated Anodyne CCN1/C(=C/C=c2\s/c(=C\C3=[N+](CC)[C@@H]4C=Cc5ccccc5[C@H]4S3)n(CC)c2=O)Sc2ccc3ccccc3c21 ZINC000026938157 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCc2ccccc2)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000026938488 KK Annotated Anodyne CCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)c(OC)c1)S(C)(=O)=O ZINC000026938501 KK Annotated Clean CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)c(OC)c1 ZINC000026938656 KK Annotated Clean COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(I)cc2nc2c(OC)cccc12 ZINC000026938666 KK Annotated Clean CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(OCCCC)cccc23)c(OC)c1 ZINC000026938683 KK Annotated Clean CCCc1sc(NS(=O)(=O)/C=C/c2ccc(C(F)(F)F)cc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000026938713 KK Annotated Anodyne CCCOc1c(C)cc(C(=CCCCC(=O)OC)c2cc(C)c(OCCC)c(C(=O)OC)c2)cc1C(=O)OC ZINC000026939593 KK Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(F)cccc3C(F)(F)F)CC2)CC1 ZINC000026939930 KK Annotated Mild CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(S(C)(=O)=O)ccc23)c(OC)c1 ZINC000026940829 KK Annotated Clean CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](CN)c1ccc(Cl)cc1 ZINC000026943004 KK Annotated Anodyne CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CN(Cc2ccc(-c3ccccc3)cc2)CCN1C(=O)C[C@@H](CN)c1ccc(Cl)cc1 ZINC000026943009 KK Annotated Anodyne O=C1c2ccccc2N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000026945972 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)CC/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000026951384 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026956094 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000026956106 KK Annotated Anodyne CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)/C1=C(\O)OC(C)C ZINC000026956186 KK Annotated Anodyne CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)/C1=C(\O)OC(C)C ZINC000026956194 KK Annotated Anodyne O=C(NCCCCCCCCCCNC(=O)C1=CC2c3ccccc3C1c1ccccc12)C1=CC2c3ccccc3C1c1ccccc12 ZINC000026956990 KK Annotated Anodyne CCCN(CCC)CCC(=O)Nc1ccc(NC(=O)CCN(CCC)CCC)c2c1C(=O)c1ccccc1C2=O ZINC000026958079 KK Annotated Clean O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)Nc3ccc([C@@H]4CNCCc5cc(O)c(O)cc54)cc3)cc21 ZINC000026958198 KK Annotated Clean O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)Nc3ccc([C@H]4CNCCc5cc(O)c(O)cc54)cc3)cc21 ZINC000026958211 KK Annotated Clean O=S1(=O)N=C(OCc2ccc(Cl)c(Cl)c2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1 ZINC000026958626 KK Annotated Anodyne COc1ccc(-c2nc3cc(-c4ccc(F)c(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026959033 KK Annotated Anodyne O=S1(=O)N=C(OCc2ccc(-c3ccccc3)cc2)c2ccccc2N1Cc1ccc(-c2ccccc2)cc1 ZINC000026959450 KK Annotated Anodyne O=S1(=O)N=C(OCc2ccccc2-c2ccccc2)c2ccccc2N1Cc1ccccc1-c1ccccc1 ZINC000026960405 KK Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCC[C@@H](CCC2CCCCC2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000026960834 KK Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCC[C@H](CCC2CCCCC2)OC(=O)[C@@H]2CCCCN2C(=O)C1=O ZINC000026960844 KK Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCC[C@@H](CCC2CCCCC2)OC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026960847 KK Annotated Anodyne CC1(C)COC(=O)CCCCCCCCCC[C@H](CCC2CCCCC2)OC(=O)[C@H]2CCCCN2C(=O)C1=O ZINC000026960852 KK Annotated Anodyne NCCCCCCCCNCc1ccc(Cn2c(C3CCNCC3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000026961187 KK Annotated Anodyne CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccc(F)cc3)CC2)[C@@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC(C)C ZINC000026964367 KK Annotated Anodyne O=C1c2ccccc2N(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000026964480 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)O2 ZINC000026965676 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)O2 ZINC000026965691 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000026967735 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)OC2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1 ZINC000026967744 KK Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@@H]1c1ccccc1C(F)(F)F ZINC000026968692 KK Annotated Anodyne CCO/C(O)=C1\C(C)=NC(=S)N(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)[C@H]1c1ccccc1C(F)(F)F ZINC000026968701 KK Annotated Anodyne CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)C ZINC000026969351 KK Annotated Bother CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(\O)OC(C)C ZINC000026969359 KK Annotated Bother COc1ccc(-c2nc3cc(-c4cccc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026969520 KK Annotated Anodyne CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026969565 KK Annotated Anodyne O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cc(I)cc(C2(C(F)(F)F)N=N2)c1 ZINC000026971090 KK Annotated Mild CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000026972310 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c(C#N)c2c(OC(=O)C(C)(C)C)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)C(C)(C)C ZINC000026972759 KK Annotated Mild Cc1ncc(CN(Cc2ccc(C#N)cc2)c2ccc(S(=O)(=O)c3ccccc3)cc2)n1Cc1ccc(C#N)cc1 ZINC000026972885 KK Annotated Mild Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N\O)c2c1O ZINC000026973623 KK Annotated Mild CCCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026974586 KK Annotated Anodyne [N-]=[N+]=Nc1cc(I)cc(CN2C(=O)CN(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1 ZINC000026975461 KK Annotated Mild COc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(CO)c3c2OC)c(C)cc2c(C(C)C)c(O)c(O)c(CO)c12 ZINC000026975576 KK Annotated Clean COc1ccc(-c2nc3cc(-c4cc(F)cc(F)c4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026975839 KK Annotated Anodyne CCC[N+](C)(CCC)CCC(=O)Nc1ccc(NC(=O)CC[N+](C)(CCC)CCC)c2c1C(=O)c1ccccc1C2=O ZINC000026976278 KK Annotated Clean COc1ccc(-c2ccc3oc(-c4ccc(OC)c(N5C(=O)c6ccc(C(=O)O)cc6C5=O)c4)nc3c2)cc1 ZINC000026976515 KK Annotated Anodyne COc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000026977799 KK Annotated Mild CCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026978266 KK Annotated Anodyne CCCN(C)c1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccccc3)ccc2o1 ZINC000026978874 KK Annotated Anodyne O=C(Oc1cccc2c1C(=O)c1cccc(OC(=O)c3ccc(Cl)cc3Cl)c1C2=O)c1ccc(Cl)cc1Cl ZINC000026978989 KK Annotated Clean COc1ccccc1CN1CCCCCCCCN(Cc2ccccc2OC)C(=O)CCCCCNCc2ccc(cc2)CNCCCCCC1=O ZINC000026979757 KK Annotated Anodyne C/C=C/C(=O)Oc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC(=O)/C=C/C)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000026979765 KK Annotated Mild Clc1cc2nc(C3CCNCC3)n(Cc3ccc(CNCCc4cc5ccccc5[nH]4)cc3)c2cc1Cl ZINC000026980032 KK Annotated Anodyne COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1 ZINC000026980067 KK Annotated Anodyne COc1ccc(-c2nc3cc(-c4ccc(F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026980529 KK Annotated Anodyne COc1ccc(-c2nc3cc(-c4ccc(OC(F)(F)F)cc4)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026981176 KK Annotated Anodyne CCC[C@@H]1OC(=O)CCCCCCCCCCCCCC/C=C(\C)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000026981323 KK Annotated Anodyne COc1ccc(-c2nc3cc(-c4ccc(F)cc4F)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026981414 KK Annotated Anodyne O=S1(=O)N=C(OCc2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1 ZINC000026981537 KK Annotated Anodyne O=c1c(/C=N/OCCCCCO/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)coc2c(Cl)cc(Cl)cc12 ZINC000026981657 KK Annotated Mild COc1c(OC)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)c(C=O)c4c3O)c(C)cc2c1C(C)C ZINC000026982599 KK Annotated Anodyne CCCCCC(=O)Oc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC(=O)CCCCC)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000026982613 KK Annotated Mild Cc1cc(N(Cc2cnc(C)n2Cc2ccc(C#N)cc2)C(=O)C2CC2)ccc1S(=O)(=O)c1ccccc1 ZINC000026984385 KK Annotated Mild CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3C)CC2)CC1 ZINC000026985002 KK Annotated Mild Cc1cc(=O)sc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000026986956 KK Annotated Anodyne Cc1cc(=O)sc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000026986963 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000026987001 KK Annotated Bother CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000026987007 KK Annotated Bother COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000026988021 KK Annotated Anodyne COc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C=O)c3c2OC)c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c12 ZINC000026988119 KK Annotated Clean Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc(C)nc(C)c2)c1 ZINC000026988465 KK Annotated Anodyne COc1ccc(-c2nc3cc(-c4ccc5c(c4)OCO5)ccc3o2)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O ZINC000026989926 KK Annotated Anodyne COCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2o1 ZINC000026990693 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccnc(CO)c2)c1 ZINC000026990981 KK Annotated Anodyne COc1ccc(S(=O)(=O)n2c(CN[C@@H](C)c3cccc4ccccc34)cc3ccccc32)cc1OC ZINC000026992103 KK Annotated Anodyne COc1ccc(S(=O)(=O)n2c(CN[C@H](C)c3cccc4ccccc34)cc3ccccc32)cc1OC ZINC000026992110 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000026992798 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc[n+]([O-])cc2)c1 ZINC000026993178 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993620 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000026993626 KK Annotated Anodyne Cc1cc(N(Cc2cnc(C)n2Cc2ccc(C#N)cc2)CC2CC2)ccc1S(=O)(=O)c1ccccc1 ZINC000026993803 KK Annotated Mild CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12 ZINC000026993904 KK Annotated Anodyne COc1ccc(CCCCCCCCOc2ccc(C[S@@](=O)Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 ZINC000026994219 KK Annotated Anodyne COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)Cc3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 ZINC000026994224 KK Annotated Anodyne CCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cc(OCc3ccccc3C(=O)O)ccc21 ZINC000026994695 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12 ZINC000026995134 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12 ZINC000026995139 KK Annotated Anodyne Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(C(F)(F)F)cc3)c(/C=C/C(=O)O)n2)c1 ZINC000026995472 KK Annotated Anodyne O=c1c(/C=N/OCCCCCO/N=C/c2cc(Br)c(O)c(Br)c2)coc2c(Cl)cc(Cl)cc12 ZINC000026995826 KK Annotated Mild Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2cc[n+]([O-])cc2C)c1 ZINC000026996365 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026996444 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026996450 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccnc(C(C)(C)O)c2)c1 ZINC000026997332 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998119 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2c1 ZINC000026998125 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998182 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000026998188 KK Annotated Anodyne C[N+](C)(C)c1cccc(C(=O)OCCCCCCCCn2ccc3cc(OCc4ccccc4)ccc32)c1 ZINC000026998226 KK Annotated Bother CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000027073580 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccccc1 ZINC000027073587 KK Annotated Anodyne CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027075471 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](CC[C@@H](C)CC[C@H](O)[C@@H](C)CCC(=O)O)O2)O[C@H]1CC[C@@H](C)CC(=O)O ZINC000027075739 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](CC[C@H](C)CC[C@H](O)[C@@H](C)CCC(=O)O)O2)O[C@H]1CC[C@@H](C)CC(=O)O ZINC000027075746 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](CC[C@@H](C)CC[C@H](O)[C@@H](C)CCC(=O)O)O2)O[C@H]1CC[C@H](C)CC(=O)O ZINC000027075752 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](CC[C@H](C)CC[C@H](O)[C@@H](C)CCC(=O)O)O2)O[C@H]1CC[C@H](C)CC(=O)O ZINC000027075757 KK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)nc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027076844 KK Annotated Anodyne COc1cc(C(=O)O)c2c(c1C)OC(=O)c1c(C)cc(O)c(CN3CCC(NC(=O)CO[C@@H]4C[C@H](C)CC[C@H]4C(C)C)CC3)c1O2 ZINC000027077182 KK Annotated Clean C[C@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)nc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027077194 KK Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]3[C@H](C)[C@@H](OC(=O)CCc4ccccc4)CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C ZINC000027077235 KK Annotated Mild C[C@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027077513 KK Annotated Anodyne Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Br)cc(Br)cc4Br)nc32)c1C ZINC000027077630 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000027078020 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC=C(C)C ZINC000027078026 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078230 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc2ccccc2n1 ZINC000027078237 KK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027079274 KK Annotated Anodyne C[C@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027079281 KK Annotated Anodyne CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Br)cc(Br)cc3Br)nc21 ZINC000027079873 KK Annotated Anodyne CC[C@@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027080053 KK Annotated Anodyne CC[C@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027080059 KK Annotated Anodyne COc1cccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4sc(C)nc34)c2Cl)c1 ZINC000027080237 KK Annotated Anodyne O=C(Nc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1csnn1 ZINC000027080373 KK Annotated Anodyne O=C(Nc1ccc(NC(=S)N[C@H](c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1csnn1 ZINC000027080380 KK Annotated Anodyne C[C@@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)nc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027080612 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1 ZINC000027081030 KK Annotated Mild C[C@@H](NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027081109 KK Annotated Anodyne CC[C@@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027081313 KK Annotated Anodyne CC[C@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027081319 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000027081422 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000027081430 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000027081955 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(OC)cc1 ZINC000027081964 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1 ZINC000027082221 KK Annotated Mild CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1 ZINC000027082229 KK Annotated Mild COC(=O)C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O ZINC000027082837 KK Annotated Mild COC(=O)C1=C[C@]2(C)C3=CC(=O)[C@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O ZINC000027082844 KK Annotated Mild COC(=O)C1=C[C@]2(C)C3=CC(=O)[C@@H]4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O ZINC000027082851 KK Annotated Mild COC(=O)C1=C[C@]2(C)C3=CC(=O)[C@H]4[C@H]5CC(C)(C)CC[C@]5(C(=O)OC)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)C1=O ZINC000027082858 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Br)cc(Br)cc3c(=O)c21 ZINC000027083076 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Br)cc(Br)cc3c(=O)c21 ZINC000027083081 KK Annotated Mild CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000027083086 KK Annotated Mild CCN(CC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)CC(C)(C)O ZINC000027083144 KK Annotated Mild CCN(CC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)CC(C)(C)O ZINC000027083151 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083458 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083463 KK Annotated Mild O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Br)cc(Br)cc3c(=O)c21 ZINC000027083468 KK Annotated Anodyne O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Br)cc(Br)cc3c(=O)c21 ZINC000027083474 KK Annotated Anodyne CC(C)(NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027083508 KK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083748 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083753 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083760 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027083767 KK Annotated Mild CCN(CC)CCCCCCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083864 KK Annotated Mild CCN(CC)CCCCCCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083871 KK Annotated Mild CCCCN[C@@H](CC)C/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083877 KK Annotated Mild CCCCN[C@H](CC)C/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083883 KK Annotated Mild CCCCN[C@@H](CC)C/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083888 KK Annotated Mild CCCCN[C@H](CC)C/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027083893 KK Annotated Mild CC(C)CN(CC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)CC(C)C ZINC000027083960 KK Annotated Mild CC(C)CN(CC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O)CC(C)C ZINC000027083966 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1ccc(C(F)(F)F)cc1)C/C2=N\CCCN1CCCCC1 ZINC000027084040 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1ccc(C(F)(F)F)cc1)C/C2=N\CCCN1CCCCC1 ZINC000027084046 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084057 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084111 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084118 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084125 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084130 KK Annotated Mild CCN(CC)CCCCCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084203 KK Annotated Mild CCN(CC)CCCCCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027084209 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(C(F)(F)F)cc3c(=O)c21 ZINC000027084379 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(C(F)(F)F)cc3c(=O)c21 ZINC000027084385 KK Annotated Mild CC(=O)/C(=C\[C@@H]1O[C@H](c2ccccc2)O[C@H](CC(=O)Oc2ccccc2)[C@H]1C(=O)Oc1ccccc1)C(=O)c1ccccc1 ZINC000027084417 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCCCN1CCCC1 ZINC000027084502 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCCCN1CCCC1 ZINC000027084509 KK Annotated Mild O=C(C[C@H]1O[C@@H](c2ccccc2)O[C@@H](C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)[C@@H]1C(=O)Oc1ccccc1)Oc1ccccc1 ZINC000027085021 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027085390 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2cccc(Br)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027085397 KK Annotated Mild CN1CCN(CCC/N=C2\C[C@@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027085587 KK Annotated Mild CN1CCN(CCC/N=C2\C[C@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027085595 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027085715 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027085719 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027085727 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027085734 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(I)cc3c(=O)c21 ZINC000027085828 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(I)cc3c(=O)c21 ZINC000027085833 KK Annotated Mild CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C=CC(C)(C)C)[C@@H]2SC1 ZINC000027085933 KK Annotated Anodyne CCC[C@@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027086103 KK Annotated Anodyne CCC[C@H](NC(=S)Nc1ccc(NC(=O)c2csnn2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027086108 KK Annotated Anodyne CCN(CC)CC(C)(C)C/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086171 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086179 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCCN1CCCC1 ZINC000027086216 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCCN1CCCC1 ZINC000027086223 KK Annotated Mild CC(=O)O[C@@H]1C2=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]3[C@H](C)[C@@H](OC(=O)/C=C/c4ccccc4)CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C ZINC000027086372 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCCCCN1CCCCC1 ZINC000027086520 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCCCCN1CCCCC1 ZINC000027086528 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086544 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C3CCCCC3)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086552 KK Annotated Mild CCCCN[C@@H](CC)C/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086789 KK Annotated Mild CCCCN[C@H](CC)C/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086796 KK Annotated Mild CCCCN[C@@H](CC)C/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086799 KK Annotated Mild CCCCN[C@H](CC)C/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027086806 KK Annotated Mild O=C(Nc1ccccc1)/C(=C/[C@@H]1O[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@@H]12)C(=O)c1ccccc1 ZINC000027087072 KK Annotated Mild CC(=O)/C(=C\[C@@H]1O[C@H](c2ccccc2)O[C@H](CC(=O)Oc2ccccc2)[C@H]1C(=O)Oc1ccccc1)C(=O)Nc1ccccc1 ZINC000027087078 KK Annotated Mild CCc1[nH]c(Cc2ccccc2)nc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027087584 KK Annotated Anodyne COc1cc([C@@H]2C/C(=N\CCCN3CCCCC3)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc(OC)c1OC ZINC000027087789 KK Annotated Mild COc1cc([C@H]2C/C(=N\CCCN3CCCCC3)c3c(n(O)c4ccc(Cl)cc4c3=O)C2)cc(OC)c1OC ZINC000027087796 KK Annotated Mild CCN(CC)CCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087827 KK Annotated Mild CCN(CC)CCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027087834 KK Annotated Mild CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C(Br)Br)[C@@H]2SC1 ZINC000027087893 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027088328 KK Annotated Anodyne CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2cccc(F)c2)CC1 ZINC000027088376 KK Annotated Anodyne CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)C[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000027088451 KK Annotated Mild CN(C)CCCCCCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027088659 KK Annotated Mild CN(C)CCCCCCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027088665 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\Cc1ccc(Cl)c(Cl)c1 ZINC000027088824 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\Cc1ccc(Cl)c(Cl)c1 ZINC000027088829 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\C1CCN(Cc2ccccc2)CC1 ZINC000027089041 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\C1CCN(Cc2ccccc2)CC1 ZINC000027089047 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027089124 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027089129 KK Annotated Mild CCN(CC)CCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027089219 KK Annotated Mild CCN(CC)CCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027089227 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCN1CCCC1 ZINC000027089582 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCCN1CCCC1 ZINC000027089588 KK Annotated Mild O[C@@H](CNCCCCCCN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc12 ZINC000027090020 KK Annotated Anodyne O[C@H](CNCCCCCCN1CC[C@H](c2ccc(F)cc2)[C@@H](COc2ccc3c(c2)OCO3)C1)COc1cccc2[nH]ccc12 ZINC000027090027 KK Annotated Anodyne O=C(C[S@@](=O)C[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)O[C@@H]1CCCO1)OCc1ccccc1 ZINC000027090180 KK Annotated Anodyne O=C(C[S@](=O)C[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)O[C@@H]1CCCO1)OCc1ccccc1 ZINC000027090188 KK Annotated Anodyne O=C(C[S@@](=O)C[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)O[C@H]1CCCO1)OCc1ccccc1 ZINC000027090198 KK Annotated Anodyne O=C(C[S@](=O)C[C@@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)O[C@H]1CCCO1)OCc1ccccc1 ZINC000027090205 KK Annotated Anodyne O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1ccc(C(F)(F)F)cc1)C/C2=N\CCCN1CCCC1 ZINC000027090275 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1ccc(C(F)(F)F)cc1)C/C2=N\CCCN1CCCC1 ZINC000027090282 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027090494 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027090501 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21 ZINC000027090908 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3c(Cl)ccc(Cl)c3c(=O)c21 ZINC000027090915 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCN1CCCC1 ZINC000027091227 KK Annotated Mild O=c1c2c(n(O)c3ccc(Cl)cc13)C[C@H](c1cccc(C(F)(F)F)c1)C/C2=N\CCN1CCCC1 ZINC000027091233 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Cl)cc(Cl)cc3c(=O)c21 ZINC000027091443 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3c(Cl)cc(Cl)cc3c(=O)c21 ZINC000027091450 KK Annotated Mild CCN(CC)CCC/N=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091632 KK Annotated Mild CCN(CC)CCC/N=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091637 KK Annotated Mild CCN(CC)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091989 KK Annotated Mild CCN(CC)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027091995 KK Annotated Mild CCN(CC)C1CCC(/N=C2\C[C@@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027092248 KK Annotated Mild CCN(CC)C1CCC(/N=C2\C[C@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)CC1 ZINC000027092254 KK Annotated Mild Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N/N=N/c2ccc(C(=O)OCCN3CCCC3)cc2)cc1 ZINC000027092433 KK Annotated Clean CCCCN(CCCC)CC/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027093032 KK Annotated Mild CCCCN(CCCC)CC/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027093036 KK Annotated Mild N=C(NO)c1cccc(CN2C(=O)N(Cc3cccc(/C(N)=N/O)c3)[C@H](CCc3ccc(F)c(F)c3)[C@@H](O)[C@H]2Cc2ccc(F)c(F)c2)c1 ZINC000027093908 KK Annotated Mild CCN(CC)CC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094398 KK Annotated Mild CCN(CC)CC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094407 KK Annotated Mild CCCCNCCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094816 KK Annotated Mild CCCCNCCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027094819 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027094885 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(C/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027094892 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(C/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027094900 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(C/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027094907 KK Annotated Mild CCC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027095686 KK Annotated Anodyne C=C[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(CC/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027095923 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@H](CC[C@@H]3[C@](C)(CC/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027095931 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(CC/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027095936 KK Annotated Mild C=C[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(CC/C(O)=N/S(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1 ZINC000027095944 KK Annotated Mild CCN(CCO)CCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096411 KK Annotated Mild CCN(CCO)CCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027096418 KK Annotated Mild CCN(CC)CCCC/N=C1\C[C@@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027096717 KK Annotated Mild CCN(CC)CCCC/N=C1\C[C@H](c2ccc(Cl)cc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 ZINC000027096724 KK Annotated Mild CCOC(=O)CCCCO/N=C(\c1ccc(C(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027097055 KK Annotated Mild CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027097071 KK Annotated Mild CCN(CC)Cc1cccc(/N=C2\C[C@@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)c1 ZINC000027097374 KK Annotated Mild CCN(CC)Cc1cccc(/N=C2\C[C@H](c3ccc(Cl)c(Cl)c3)Cc3c2c(=O)c2cc(Cl)ccc2n3O)c1 ZINC000027097379 KK Annotated Mild CCN(CC)CC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027097457 KK Annotated Mild CCN(CC)CC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027097464 KK Annotated Mild O=c1nc(O)n(C/C=C/c2cc(OCc3ccc(C(F)(F)F)cc3)cc(OCc3ccc(C(F)(F)F)cc3)c2)o1 ZINC000027097483 KK Annotated Anodyne Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N/N=N/c2ccc(C(=O)OCCN3CCCCC3)cc2)cc1 ZINC000027097786 KK Annotated Clean CCOC(=O)c1cn(Cc2ccccc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027097955 KK Annotated Mild O=c1nc(O)n([C@@H](CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1 ZINC000027098283 KK Annotated Anodyne O=c1nc(O)n([C@H](CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1 ZINC000027098289 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccccc2F)c2c(F)c(-c3ccc(OCC(C)C)cc3)c(CN(C)Cc3ccco3)n2c1=O ZINC000027098435 KK Annotated Anodyne CCN(CC)CCC/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098727 KK Annotated Mild CCN(CC)CCC/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098733 KK Annotated Mild CC(=O)Oc1ccc(Br)cc1Cc1cc(Cl)cc(Cc2cc(Br)ccc2OC(C)=O)c1OC(C)=O ZINC000027098740 KK Annotated Anodyne CCCCN[C@@H](CC)C/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098759 KK Annotated Mild CCCCN[C@H](CC)C/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098766 KK Annotated Mild CCCCN[C@@H](CC)C/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098774 KK Annotated Mild CCCCN[C@H](CC)C/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027098782 KK Annotated Mild COc1cc2c(cc1OCCCC(=O)Nc1cc3c4ccccc4ccc3c3ccccc13)N=C[C@@H]1CCCN1C2=O ZINC000027098878 KK Annotated Bother CCN(CC)CCO/N=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099669 KK Annotated Mild CCN(CC)CCO/N=C1\C[C@H](c2ccc(Cl)c(Cl)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099671 KK Annotated Mild CN(C)CCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Br)cc3c(=O)c21 ZINC000027099899 KK Annotated Mild CN(C)CCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[nH]c3ccc(Br)cc3c(=O)c21 ZINC000027099903 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099914 KK Annotated Mild CCN(CC)CC(C)(C)C/N=C1\C[C@H](c2cc(OC)c(OC)c(OC)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000027099920 KK Annotated Mild Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(/N=N/Nc2ccc(C(=O)OCCN(C)C)cc2)cc1 ZINC000027102244 KK Annotated Clean COc1cc2c3c(cc4cc(OC)c(OCc5ccccc5)c(OC)c4c3c1)N(CCCN(C)C)C2=O ZINC000027102718 KK Annotated Bother COc1cc2c(cc1OCCCCC(=O)Nc1cc3c4ccccc4ccc3c3ccccc13)N=C[C@@H]1CCCN1C2=O ZINC000027102983 KK Annotated Bother Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N/N=N/c2ccc(C(N)=O)cc2)cc1 ZINC000027103648 KK Annotated Clean O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@@H]1CC4)[C@H]23 ZINC000027103694 KK Annotated Anodyne Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N/N=N/c2ccc(C(=O)OCCN3CCOCC3)cc2)cc1 ZINC000027103932 KK Annotated Clean CCOC(CCN1C(=O)c2cc(OC)cc3c2c1cc1cc(OC)c(OCc2ccccc2)c(OC)c13)OCC ZINC000027103985 KK Annotated Bother Nc1ccc2c(NCc3ccccc3)cc[n+](CCCCCCCCCC[n+]3ccc(NCc4ccccc4)c4ccc(N)cc43)c2c1 ZINC000027104561 KK Annotated Anodyne Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(N/N=N/c2ccc(C(=N)N)cc2)cc1 ZINC000027105637 KK Annotated Clean CC(=O)c1ccc(N/N=N/c2ccc(C(=O)OCCc3sc(-c4c5ccccc5nc5ccccc45)nc3C)cc2)cc1 ZINC000027105639 KK Annotated Clean CC(=O)N1[C@H](C(=O)CCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027105687 KK Annotated Anodyne Cc1nc(-c2c3ccccc3nc3ccccc23)sc1CCOC(=O)c1ccc(/N=N/Nc2cccc(C(=O)OCCN(C)C)c2)cc1 ZINC000027105783 KK Annotated Clean CC(=O)N1[C@H](C(=O)NCC2N=NN=N2)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027106669 KK Annotated Anodyne CC[C@H]1CCCCN1CC(=O)Nc1nc2cc3nc(/N=C(\O)CN4CCCC[C@H]4CC)sc3cc2s1 ZINC000027106829 KK Annotated Mild CC[C@H]1CCCCN1C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN4CCCC[C@@H]4CC)sc3cc2s1 ZINC000027106832 KK Annotated Mild CCOC(=O)c1c2nc(/N=C(\O)CN(CC)CC)sc2c(Cl)c2sc(/N=C(\O)CN(CC)CC)nc12 ZINC000027106849 KK Annotated Mild C[C@H]1CCCCN1C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN4CCCC[C@H]4C)sc3cc2s1 ZINC000027107005 KK Annotated Mild C[C@H]1CCCCN1C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN4CCCC[C@@H]4C)sc3cc2s1 ZINC000027107009 KK Annotated Mild CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1 ZINC000027107069 KK Annotated Anodyne CC(=O)N1[C@H](C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027107113 KK Annotated Anodyne COc1ccc(CN2C(=O)c3cc(OCc4ccccc4)cc4c3c2cc2cc(OC)c(OCc3ccccc3)c(OC)c24)cc1 ZINC000027107116 KK Annotated Bother CCN(CC)CCN1C(=O)c2cc(OC)cc3c2c1cc1cc(OC)c(OCc2ccccc2)c(OC)c13 ZINC000027107677 KK Annotated Bother CC(=O)N1[C@H](C(=O)N[C@H](C)C(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027108207 KK Annotated Anodyne CC(=O)N1[C@H](C(=O)CC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2F)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027108210 KK Annotated Anodyne COC(=O)N1[C@H](C(=O)NCC(=O)O)CC(=O)c2ccccc2N(Cc2ccccc2Cl)C(=O)[C@H]1CC12CC3CC(CC(C3)C1)C2 ZINC000027108978 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4nccc(NC[C@@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C ZINC000027109806 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NCC3CCC(CNc4nccc(NC[C@H]5CCCO5)n4)CC3)o1)C(C)(C)CCC2(C)C ZINC000027109809 KK Annotated Anodyne Cc1cc(OCCCN2CCOCC2)cc(C)c1N1C(=O)NCc2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000027109843 KK Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2c(Cl)c3nc(/N=C(\O)CN(CC)CC)sc3c(Br)c2s1 ZINC000027109988 KK Annotated Mild CN(C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(C)C4CCCC4)sc3cc2s1)C1CCCC1 ZINC000027110040 KK Annotated Mild CC(C)N(C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(C(C)C)C(C)C)sc3cc2s1)C(C)C ZINC000027110150 KK Annotated Mild CCCN(CCC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CCC)CCC)sc3cc2s1 ZINC000027110154 KK Annotated Mild Cc1cccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c1 ZINC000027110201 KK Annotated Bother O[C@H]([C@@H](COCc1ccc(F)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1 ZINC000027179234 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccc(F)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1 ZINC000027179240 KK Annotated Anodyne CCOC(CCN1C(=O)c2cc3c(c4c2c1cc1c(OC)c(OC(C)C)c(OC)cc14)OCO3)OCC ZINC000027179252 KK Annotated Bother CCOC(CCCN1C(=O)c2cccc3c2c1cc1cc(OC)c(OCc2ccccc2)c(OC)c13)OCC ZINC000027179258 KK Annotated Bother CC1(C)Oc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@H](O)[C@@H]1Cc1cc(NS(=O)(=O)C(F)(F)F)ccc1Cl ZINC000027179370 KK Annotated Anodyne N#Cc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C#N)cc2)cc1 ZINC000027179495 KK Annotated Mild N#Cc1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C#N)cc2)cc1 ZINC000027179500 KK Annotated Mild CCOC(=O)c1c2nc(/N=C(\O)CN(CC)CC)sc2c(C)c2sc(/N=C(\O)CN(CC)CC)nc12 ZINC000027179615 KK Annotated Mild O[C@H]([C@@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000027180426 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000027180432 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccccc1)OCc1ccccc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1F ZINC000027180442 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1)OCc1ccccc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1F ZINC000027180446 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000027180527 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000027180533 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000027180540 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000027180551 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000027180557 KK Annotated Anodyne CC1CCN(C/C(O)=N/c2nc3cc4nc(/N=C(\O)CN5CCC(C)CC5)sc4cc3s2)CC1 ZINC000027180691 KK Annotated Mild O[C@H]([C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000027180827 KK Annotated Anodyne O[C@@H]([C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000027180833 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000027180840 KK Annotated Anodyne Cc1ccccc1CO[C@@H](COCc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C ZINC000027180850 KK Annotated Anodyne Cc1ccccc1CO[C@H](COCc1ccccc1F)[C@@H](O)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C ZINC000027180855 KK Annotated Anodyne Cc1ccccc1CO[C@@H](COCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C ZINC000027180861 KK Annotated Anodyne Cc1ccccc1CO[C@H](COCc1ccccc1F)[C@H](O)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1C ZINC000027180867 KK Annotated Anodyne CCN(CC)CC(=O)N(CC)c1nc2cc3nc(N(CC)C(=O)CN(CC)CC)sc3c(Br)c2s1 ZINC000027181021 KK Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2c(Br)c3nc(/N=C(\O)CN(CC)CC)sc3c(Cl)c2s1 ZINC000027181104 KK Annotated Mild O[C@H]([C@@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000027181595 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000027181601 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000027181607 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)c2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1 ZINC000027181644 KK Annotated Bother CCN(CC)C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(CC)CC)sc3c(Br)c2s1 ZINC000027181825 KK Annotated Mild O[C@H]([C@@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000027181988 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000027181994 KK Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2c(-c3ccccc3)c3nc(/N=C(\O)CN(CC)CC)sc3c(Cl)c2s1 ZINC000027182944 KK Annotated Mild Cc1ccc(COC[C@@H](OCc2ccc(C)cc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000027183769 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000027183776 KK Annotated Anodyne Cc1ccc(COC[C@@H](OCc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000027183783 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000027183790 KK Annotated Anodyne CN(C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(C)C4CCCCC4)sc3cc2s1)C1CCCCC1 ZINC000027183888 KK Annotated Mild O[C@H]([C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1 ZINC000027183967 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1 ZINC000027183972 KK Annotated Anodyne CN(C/C(O)=N/c1nc2cc3nc(/N=C(\O)CN(C)C4CCCCCCC4)sc3cc2s1)C1CCCCCCC1 ZINC000027184142 KK Annotated Mild Cc1ccc(CO[C@@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C)cc2)cc1 ZINC000027184149 KK Annotated Anodyne Cc1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C)cc2)cc1 ZINC000027184155 KK Annotated Anodyne Cc1ccc(CO[C@@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C)cc2)cc1 ZINC000027184163 KK Annotated Anodyne Cc1ccc(CO[C@H](COCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C)cc2)cc1 ZINC000027184169 KK Annotated Anodyne O/C(CN1CCCCCC1)=N\c1nc2cc3nc(/N=C(\O)CN4CCCCCC4)sc3cc2s1 ZINC000027184379 KK Annotated Mild Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(NC[C@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027184754 KK Annotated Anodyne Cc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000027185717 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000027185723 KK Annotated Anodyne Cc1ccc(COC[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000027185730 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000027185737 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000027185777 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000027185784 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@@H](Nc4nccc(NC[C@@H]5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C ZINC000027185976 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CCC[C@@H](Nc4nccc(NC[C@@H]5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C ZINC000027185982 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@H](Nc4nccc(NC[C@@H]5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C ZINC000027185991 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@H]3CCC[C@H](Nc4nccc(NC[C@@H]5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C ZINC000027185998 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000027186177 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000027186184 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000027186195 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000027186202 KK Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2c(C#N)c3nc(/N=C(\O)CN(CC)CC)sc3c(Cl)c2s1 ZINC000027186265 KK Annotated Mild CCN(CC)C/C(O)=N/c1nc2c(Cl)c3nc(/N=C(\O)CN(CC)CC)sc3c(Cl)c2s1 ZINC000027186272 KK Annotated Mild CCN(CC)C/C(O)=N/c1nc2c(C(F)(F)F)c3nc(/N=C(\O)CN(CC)CC)sc3c(Cl)c2s1 ZINC000027186278 KK Annotated Mild O[C@H]([C@@H](COCc1c(F)cccc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1 ZINC000027186317 KK Annotated Anodyne O[C@@H]([C@@H](COCc1c(F)cccc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1 ZINC000027186322 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccccc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1 ZINC000027186332 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1F)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1 ZINC000027186339 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000027186377 KK Annotated Anodyne O[C@@H]([C@@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000027186382 KK Annotated Anodyne CCN(CC)C/C(O)=N/c1nc2c(s1)c(OC)c(Cl)c1nc(/N=C(\O)CN(CC)CC)sc12 ZINC000027186403 KK Annotated Mild Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4nccc(NC[C@@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027186464 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)c(C(=O)c2ccccc2)c1 ZINC000027186552 KK Annotated Bother Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ccnc(NC[C@@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027186736 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)c(C(=O)c2ccccc2)c1 ZINC000027186803 KK Annotated Bother O=C([C@H](Cc1ccc2ccccc2c1)N/C(=N/C1CCCCC1)NC1CCCCC1)N(Cc1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000027187303 KK Annotated Mild O=C([C@H](Cc1ccc2ccccc2c1)N/C(=N/C1CCCCC1)NC1CCCCC1)N(Cc1ccccc1)[C@H]1CN2CCC1CC2 ZINC000027187309 KK Annotated Mild O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)Cc2cccc3ccccc23)c(C(=O)c2ccccc2)c1 ZINC000027187481 KK Annotated Bother Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CNc4nccc(NC[C@@H]5CCCO5)n4)cc3)o1)C(C)(C)CCC2(C)C ZINC000027187523 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NCc3ccc(CNc4nccc(NC[C@H]5CCCO5)n4)cc3)o1)C(C)(C)CCC2(C)C ZINC000027187526 KK Annotated Anodyne Cc1cc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)nc(N)n1 ZINC000027189081 KK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000027189529 KK Annotated Bother CCOC(=O)CCCn1c(=O)nc2n(CCCCOC(=O)C[C@@H]3C[C@@H]4[C@@H]5CC[C@H](O)[C@@H]5CC[C@@H]4[C@@]4(C)CCC(=O)C=C34)c3ccccc3cc-2c1=O ZINC000027189616 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)c2cccc3ccccc23)c(C(=O)c2ccccc2)c1 ZINC000027190127 KK Annotated Bother NCCCN(CCCCNCc1c2ccccc2cc2ccccc12)CCCCN(CCCN)CCCCNCc1c2ccccc2cc2ccccc12 ZINC000027190308 KK Annotated Bother Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4cc(Cl)nc(N)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027190372 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)Cc2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000027190608 KK Annotated Bother Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ccnc(NC[C@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027190765 KK Annotated Anodyne C[C@@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000027190773 KK Annotated Bother C[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000027190780 KK Annotated Bother COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)C23c2ccc(OC)cc2-c2cc(OC)ccc23)cc1 ZINC000027191405 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)C23c2ccc(OC)cc2-c2cc(OC)ccc23)cc1 ZINC000027191411 KK Annotated Anodyne N#Cc1ccc(COC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000027191680 KK Annotated Mild N#Cc1ccc(COC[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000027191687 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000027192898 KK Annotated Anodyne CSCC[C@H](NC(=O)c1cc(-c2ccc(C)cc2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027192930 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ncc(C)c(NC[C@@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027193050 KK Annotated Anodyne Cc1cc2c(cc1Cc1ccc(C(=O)NCc3cccc(CNc4ncc(C)c(NC[C@H]5CCCO5)n4)c3)o1)C(C)(C)CCC2(C)C ZINC000027193056 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027193212 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027193217 KK Annotated Mild CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000027193403 KK Annotated Reactive CSCC[C@H](NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027193666 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000027193915 KK Annotated Bother CSCC[C@H](NC(=O)c1ccc(CN(Cc2cc(F)cc(F)c2)Cc2cncs2)cc1-c1ccccc1C)C(=O)O ZINC000027193920 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3cccc(N)c3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027195590 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cccc(N)c3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027195596 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)Cc2nccs2)cc1-c1ccccc1C)C(=O)O ZINC000027195921 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3cccc(O)c3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027196764 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3cccc(O)c3)(c3ccccc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027196770 KK Annotated Mild COc1cc(C[n+]2c(C)cc(NCCCCCCCCCCNc3cc(C)nc4ccccc34)c3ccccc32)cc(OC)c1 ZINC000027196776 KK Annotated Anodyne CC1(C)Oc2ccc(S(=O)(=O)N3CCC[C@@H](Cc4ccccc4)C3)cc2[C@@H](/N=C(\NC#N)Nc2ccc(Cl)cc2)[C@@H]1O ZINC000027198286 KK Annotated Mild CC1(C)Oc2ccc(S(=O)(=O)N3CCC[C@H](Cc4ccccc4)C3)cc2[C@@H](/N=C(\NC#N)Nc2ccc(Cl)cc2)[C@@H]1O ZINC000027198292 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(CN(CC2CCCCC2)c2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027198562 KK Annotated Anodyne CSCC[C@H](NC(=O)c1cc(CCc2ccccc2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027199076 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)Cc2cncs2)cc1-c1ccccc1C)C(=O)O ZINC000027199080 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(c3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027199486 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(c3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027199492 KK Annotated Mild COCc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccc(OCCO)cc3)CC2=O)cc1C ZINC000027199498 KK Annotated Mild COCc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccccc3)(c3ccc(OCCO)cc3)CC2=O)cc1C ZINC000027199504 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(CN(C(=O)Cc2ccccc2)c2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027199539 KK Annotated Anodyne Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2n1 ZINC000027199565 KK Annotated Anodyne Cc1cc(NCCCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2[n+]1Cc1ccccc1 ZINC000027199572 KK Annotated Anodyne CSCC[C@H](NC(=O)c1cc(CC2CCCCC2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027199791 KK Annotated Anodyne Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2[n+]1Cc1ccccc1 ZINC000027200142 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccc(OCCO)cc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027201177 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(c3ccc(OCCO)cc3)CC2=O)c(C(C)(C)C)cc1CO ZINC000027201183 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl ZINC000027202337 KK Annotated Reactive CSCC[C@H](NC(=O)c1cc(Cc2ccccc2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027202578 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl ZINC000027202727 KK Annotated Reactive CN(CCc1ccccc1)C(=O)Cc1cc(/C=C/C2N=NN=N2)cc2c(OCc3ccccc3)cccc12 ZINC000027203700 KK Annotated Anodyne Oc1ccc([C@H]2Sc3cc(O)ccc3S[C@H]2c2ccc(OCCN3CCCC3)c(Br)c2)cc1 ZINC000027203805 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H](CCCc3ccccc3)C2(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000027204074 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCCc3ccccc3)C2(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000027204079 KK Annotated Anodyne CC(C)(C)OC(=O)c1nn(-c2ccc(C(C)(C)C)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000027204920 KK Annotated Clean CCOC(=O)c1nn(-c2ccc(C(C)(C)C)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000027204982 KK Annotated Clean CSCC[C@H](NC(=O)c1cc(-c2cccs2)c(COc2cccnc2)cc1-c1ccccc1C)C(=O)O ZINC000027205482 KK Annotated Anodyne Cc1cc(NCCCCCCCCCCCCNc2cc(C)[n+](Cc3ccccc3)c3ccccc23)c2ccccc2n1 ZINC000027206440 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl ZINC000027206571 KK Annotated Anodyne CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000027207425 KK Annotated Anodyne COc1cc(C[n+]2c(C)cc(NCCCCCCCCCCNc3cc(C)[n+](Cc4cc(OC)cc(OC)c4)c4ccccc34)c3ccccc32)cc(OC)c1 ZINC000027207553 KK Annotated Anodyne COc1cc2c(c3occ(-c4ccc(OCc5ccccc5)cc4OCc4ccccc4)c(=O)c13)C=CC(C)(C)O2 ZINC000027207696 KK Annotated Anodyne O=C(Cc1ccc2[nH]c(-c3ccc(Br)s3)nc2c1)NCC1CCN(c2ccncc2)CC1 ZINC000027208137 KK Annotated Anodyne O=C(CCc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1)NCC1CCN(c2ccncc2)CC1 ZINC000027209181 KK Annotated Anodyne CN(CCc1ccccc1)C(=O)Cn1cc([C@@H](C(=O)O)c2ccccc2)c2c(OCc3ccccc3)cccc21 ZINC000027209614 KK Annotated Anodyne CN(CCc1ccccc1)C(=O)Cn1cc([C@H](C(=O)O)c2ccccc2)c2c(OCc3ccccc3)cccc21 ZINC000027209618 KK Annotated Anodyne COc1cc2c(c3occ(-c4ccc(OCc5ccccc5)cc4OCc4ccccc4)c(=O)c13)C(=O)CC(C)(C)O2 ZINC000027209692 KK Annotated Anodyne CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2csc(C)n2)n1Cc1ccc(C2(C(=O)O)CCCC2)cc1 ZINC000027210414 KK Annotated Anodyne CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000027210477 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl ZINC000027210481 KK Annotated Anodyne Cc1nn(-c2ccc(OCc3ccccc3)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000027212262 KK Annotated Clean N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 ZINC000027213762 KK Annotated Mild O=c1c2c(ncn2Cc2cc(I)cc(C3(C(F)(F)F)N=N3)c2)c2cccnc2n1-c1ccccc1 ZINC000027214987 KK Annotated Anodyne Cc1c[nH]c2c(Cl)cc3c(c12)C(=C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncc(Br)cc1CC3 ZINC000027299220 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](Sc2ccc(-c3ccc(Cl)cc3)cc2)CC[C@H]1CN1NNc2ccsc2C1=O ZINC000027300154 KK Annotated Anodyne Cc1c[nH]c2c(Cl)cc3c(c12)[C@@H](C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncc(Br)cc1CC3 ZINC000027301832 KK Annotated Anodyne CCCCc1c[nH]c2c(Cl)cc3c(c12)[C@@H](C1CCN(C(=O)Cc2cc[n+]([O-])cc2)CC1)c1ncccc1CC3 ZINC000027302714 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](Sc2ccc(-c3ccc(Cl)cc3)cc2)CC[C@H]1CN1C(=O)c2ccccc2S1(=O)=O ZINC000027303027 KK Annotated Anodyne Clc1ccc(C(c2ccc(Cl)cc2)[n+]2ccn(CCc3ccc(Cl)c(OCc4ccc(Cl)cc4Cl)c3Cl)c2)cc1 ZINC000027305009 KK Annotated Anodyne COc1cc2c(cc1OCCCCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCCN1C2 ZINC000027306433 KK Annotated Anodyne COc1cc2c(cc1OCCCC(=O)N[C@H]1C[C@H]3C=Nc4cc(OCc5ccccc5)c(OC)cc4C(=O)N3C1)N=C[C@@H]1CCCN1C2 ZINC000027308224 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H]1[C@@H](OC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027308420 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@@H]1[C@H](OC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027308422 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@H]1[C@@H](OC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027308425 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)O[C@H]1[C@H](OC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C ZINC000027308430 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)C)[C@@H]2OC(C)C)C1(C)C ZINC000027308763 KK Annotated Mild C=C1[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)C1(C)C ZINC000027309252 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000027310513 KK Annotated Mild CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)Oc2ccccc2)[C@@H]1OC(=O)Oc1ccccc1 ZINC000027310970 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)Oc2ccccc2)[C@@H]1OC(=O)Oc1ccccc1 ZINC000027310974 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)Oc2ccccc2)[C@H]1OC(=O)Oc1ccccc1 ZINC000027310979 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)Oc2ccccc2)[C@H]1OC(=O)Oc1ccccc1 ZINC000027310983 KK Annotated Anodyne Cc1ccc(-n2cnnc2NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)c(Cl)cc2S)cc1 ZINC000027311229 KK Annotated Anodyne Cc1ccc(-c2c3n(c(=O)c4ncccc24)C[C@H](C)CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000027311472 KK Annotated Anodyne O=C(Oc1ccc2c(c1)OC=C(C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2)c1cccnc1 ZINC000027311909 KK Annotated Anodyne CC(C)(C)c1ccc(C(=O)O[C@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@@H]2OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027312164 KK Annotated Anodyne CC(C)(C)c1ccc(C(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@@H]2OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027312169 KK Annotated Anodyne CC(C)(C)c1ccc(C(=O)O[C@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000027312173 KK Annotated Anodyne CC(C)(C)c1ccc(C(=O)O[C@H]2[C@H](OC(=O)c3ccc(C(C)(C)C)cc3)c3c(ccc4ccc(=O)oc34)OC2(C)C)cc1 ZINC000027312178 KK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3ccccc3nc2-c2ccc(Br)cc2)c(S)cc1Cl ZINC000027312980 KK Annotated Anodyne C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000027313200 KK Annotated Mild C=C1[C@@H](O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@@H](OC(=O)/C=C/c3ccccc3)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000027313462 KK Annotated Mild C=C1[C@@H](OC(=O)c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@@H](OC(=O)c3ccccc3)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000027313574 KK Annotated Mild Cc1ccc(-c2c3n(c(=O)c4ncccc24)CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000027313584 KK Annotated Anodyne Cc1ccc(-c2c3n(c(=O)c4ncccc24)CCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000027313632 KK Annotated Anodyne O=C(CC(Sc1ncnc2nc[nH]c12)Sc1ncnc2nc[nH]c12)Nc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000027313904 KK Annotated Clean Cc1ccc(-c2c3n(c(=O)c4ncccc24)CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000027315430 KK Annotated Anodyne Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000027316264 KK Annotated Anodyne Cn1ccnc1S(=O)(=O)Cc1cccc([C@H](c2c(O)cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027317634 KK Annotated Anodyne Cn1ccnc1S(=O)(=O)Cc1cccc([C@@H](c2c(O)cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027317640 KK Annotated Anodyne Cc1cc(SCCN2CCCCC2)c2cc3c(SCCN4CCCCC4)cc(C)nc3c(C)c2n1 ZINC000027318270 KK Annotated Bother N/C(=N\C(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccc(-c3ccc(/C(N)=N\C(=O)OCC(Cl)(Cl)Cl)cc3)o2)cc1 ZINC000027318848 KK Annotated Mild Cc1ccc(-c2c3n(c(=O)c4ncccc24)CCCCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000027318892 KK Annotated Anodyne Cc1ccc(-c2c3n(c(=O)c4ncccc24)C[C@@H](C)CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000027318996 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2nncn2-c2ccc(F)cc2)c(S)cc1Cl ZINC000027319653 KK Annotated Anodyne Cn1ccnc1S(=O)(=O)Nc1cccc([C@H](c2c(O)cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027320409 KK Annotated Anodyne Cn1ccnc1S(=O)(=O)Nc1cccc([C@@H](c2c(O)cc(C(CC3CC3)CC3CC3)oc2=O)C2CC2)c1 ZINC000027320416 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccc(F)cc2F)c2c(C#N)c(-c3ccc(OCC(C)C)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027322834 KK Annotated Mild CN(CCc1ccccn1)Cc1c(-c2ccc([N+](=O)[O-])cc2)cc2n(Cc3ccccc3F)cc(-c3nc(C(C)(C)C)co3)c(=O)n12 ZINC000027323896 KK Annotated Bother CN(C)C(=O)c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1 ZINC000027323999 KK Annotated Bother CN(C)C(=O)c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1 ZINC000027324004 KK Annotated Bother Cc1cc(OCCN(C(C)C)C(C)C)c2cc3c(OCCN(C(C)C)C(C)C)cc(C)nc3c(C)c2n1 ZINC000027324281 KK Annotated Bother O=C1CCN(Cc2ccccc2)C/C1=C\c1cn(C(=O)c2ccccc2)c2ccc(OCc3ccccc3)cc12 ZINC000027324312 KK Annotated Mild N=C(NC(=O)Oc1ccccc1)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)Oc4ccccc4)cc3)o2)cc1 ZINC000027324481 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)CCN(CC)CC)cc1 ZINC000027325830 KK Annotated Anodyne CCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027326126 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C\c4ccccc4)c3Cl)cccn2c1Br ZINC000027326236 KK Annotated Anodyne O=C(c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1)N1CCCC1 ZINC000027326274 KK Annotated Bother O=C(c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1)N1CCCC1 ZINC000027326279 KK Annotated Bother O=C(c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1)N1CCCC1 ZINC000027327295 KK Annotated Bother O=C(c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1)N1CCCC1 ZINC000027327301 KK Annotated Bother O=C(c1ccc(CC[C@@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1)N1CCCC1 ZINC000027327956 KK Annotated Bother O=C(c1ccc(CC[C@H](COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCCC2=O)cc1)N1CCCC1 ZINC000027327960 KK Annotated Bother CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2CN(C)C)cc1 ZINC000027328530 KK Annotated Anodyne CC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1 ZINC000027329518 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CCCc4ccccc4)c3Cl)cccn2c1Br ZINC000027329605 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Cc4ccccc4)c3Cl)cccn2c1Br ZINC000027330075 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)Nc4cccc(C(=O)N(C)C)c4)c3Cl)cccn2c1Br ZINC000027330133 KK Annotated Anodyne CCOC(=O)c1cccc(NC(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccn4c(Br)c(C)nc34)c2Cl)c1 ZINC000027330136 KK Annotated Anodyne COC(=O)c1cc(C(=CCCCC(=O)SC)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000027330362 KK Annotated Anodyne CCCCCCNC(=O)c1cn(Cc2ccccc2F)c2cc(-c3ccc(NC(=O)CCC)cc3)c(CN(C)CCc3ccccn3)n2c1=O ZINC000027330658 KK Annotated Anodyne COc1c(C=O)c(C)c(Cl)c(OC(=O)Cc2ccccn2)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C ZINC000027330694 KK Annotated Anodyne CCOC(=O)CCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000027331080 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)CCc4ccccc4)c3Cl)cccn2c1Br ZINC000027331194 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NC(CC)CC)c(=O)n3c2CN(C)CCc2ccccn2)cc1 ZINC000027331492 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2cc3n(Cc4ccccc4F)cc(C(=O)NCCOC)c(=O)n3c2CN(C)CCc2ccccn2)cc1 ZINC000027332181 KK Annotated Anodyne C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@@H](C(=O)c2ccc(Br)cc2)[C@H]1C)OC(C)(C)C=C3 ZINC000027332358 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(NS(C)(=O)=O)cc4)c3Cl)cccn2c1Br ZINC000027406514 KK Annotated Anodyne O=C(NCCCNC1CCCCC1)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027406791 KK Annotated Anodyne NCCCCCCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1C(F)(F)F ZINC000027407210 KK Annotated Anodyne CCSC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000027407858 KK Annotated Anodyne COC(=O)c1cc(C(=CCCC[S@@](C)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000027408826 KK Annotated Anodyne COC(=O)c1cc(C(=CCCC[S@](C)=O)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000027408831 KK Annotated Anodyne CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(=O)N(O)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C)C(=O)O ZINC000027413131 KK Annotated Anodyne CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)Cc1ccccn1 ZINC000027413901 KK Annotated Anodyne CCN(CC)CCCNC(=O)c1cnn(-c2nc(-c3cccc(C(F)(F)F)c3)c(C(=O)O)s2)c1C(F)(F)F ZINC000027414723 KK Annotated Anodyne COC(=O)c1cc(C(=CCCN2CCOC2=O)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000027415186 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@H](O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@@]32C)OCCO1 ZINC000027417739 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@H](O)C[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@@]32C)OCCO1 ZINC000027417744 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32O4 ZINC000027418138 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@](C)(CC[C@@H]3[C@]2(C)CC[C@]2(C)[C@@](O)([C@H](C)C4(CCC(C)C)OCCO4)C(=O)C[C@@]32C)C1 ZINC000027419345 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@](C)(CC[C@H]3[C@]2(C)CC[C@@]2(C)[C@@]3(C)CC(=O)[C@]2(O)[C@H](C)C2(CCC(C)C)OCCO2)C1 ZINC000027419348 KK Annotated Anodyne O=c1c(O)c(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)cc(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)c(O)c1O ZINC000027419623 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000027421858 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000027421868 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)C(=O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@]23C)OCCO1 ZINC000027422487 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)C(=O)C[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@@]32C)OCCO1 ZINC000027422492 KK Annotated Anodyne O=S(=O)(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 ZINC000027422765 KK Annotated Reactive ClCCN(CCCl)c1ccc(Sc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 ZINC000027422787 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@]4(C)C[C@H](O)[C@](O)([C@H](C)C5(CCC(C)C)OCCO5)[C@@]4(C)CC[C@@]32C)C1 ZINC000027423670 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@]4(C)C[C@H](O)[C@](O)([C@H](C)C5(CCC(C)C)OCCO5)[C@@]4(C)CC[C@@]32C)C1 ZINC000027423675 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@](C)(CC[C@@H]3[C@]2(C)CC[C@@]2(C)[C@@]3(C)C[C@@H](O)[C@]2(O)[C@H](C)C2(CCC(C)C)OCCO2)C1 ZINC000027424211 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@](C)(CC[C@H]3[C@]2(C)CC[C@@]2(C)[C@@]3(C)C[C@@H](O)[C@]2(O)[C@H](C)C2(CCC(C)C)OCCO2)C1 ZINC000027424216 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@@H]1CCSS1)O2 ZINC000027424557 KK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@@H]1CCSS1)O2 ZINC000027424562 KK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@H]1CCSS1)O2 ZINC000027424568 KK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@H]1CCSS1)O2 ZINC000027424575 KK Annotated Reactive C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2CN2CCCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027424617 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@@H](S)CCS)O2 ZINC000027424950 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@@H](S)CCS)O2 ZINC000027424954 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@H](S)CCS)O2 ZINC000027424959 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@H](S)CCS)O2 ZINC000027424966 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 ZINC000027425267 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 ZINC000027425271 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(N)=O)=C[C@]34C)[C@]1(C)CC2 ZINC000027426497 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(N)=O)=C[C@]34C)[C@]1(C)CC2 ZINC000027426502 KK Annotated Mild COc1ccc(-c2nc3nc4c(ncn4COCCO)c(O)n3c2-c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000027426622 KK Annotated Anodyne CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000027426834 KK Annotated Anodyne CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000027426839 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000027427039 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000027427043 KK Annotated Anodyne Cc1c(CSc2nc3ccccc3[nH]2)cccc1SCCNS(=O)(=O)c1cccc2cccnc12 ZINC000027427460 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@]4(C)CC(=O)[C@](O)([C@H](C)C5(CCC(C)C)OCCO5)[C@@]4(C)CC[C@@]32C)C1 ZINC000027427491 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@]4(C)CC(=O)[C@](O)([C@H](C)C5(CCC(C)C)OCCO5)[C@@]4(C)CC[C@@]32C)C1 ZINC000027427496 KK Annotated Anodyne CC(C)N(Cc1n[nH]nc1CN1CCO[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)C(C)C ZINC000027428817 KK Annotated Mild OCCOCn1cnc2c(O)n3c(-c4ccc(C(c5ccccc5)c5ccccc5)cc4)c(-c4ccccc4)nc3nc21 ZINC000027428883 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@]23C)OCCO1 ZINC000027428953 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@H]4CC[C@@]5(C)C[C@@H](O)CC[C@]5(C)[C@@]4(C)CC[C@@]32C)OCCO1 ZINC000027428958 KK Annotated Anodyne CNCc1n[nH]nc1CN1CCO[C@@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000027429196 KK Annotated Mild CNCc1n[nH]nc1CN1CCO[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000027429201 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000027429738 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=C[C@@]12CO2 ZINC000027429744 KK Annotated Anodyne C[C@@H](O[C@@H]1OCCN(Cc2n[nH]nc2CN2CCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027429933 KK Annotated Mild C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2CN2CCC2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027429938 KK Annotated Mild COc1cc(OCCN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430736 KK Annotated Anodyne COc1cc(OCCN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC ZINC000027430743 KK Annotated Anodyne CN(c1nc2ccccc2s1)C1CCN(CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000027430825 KK Annotated Anodyne CN(c1nc2ccccc2s1)C1CCN(CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000027430830 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431945 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000027431950 KK Annotated Anodyne COc1ccc(OCCN(C)CCCN2C(=O)CS[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433178 KK Annotated Anodyne COc1ccc(OCCN(C)CCCN2C(=O)CS[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000027433183 KK Annotated Anodyne CCC(=O)c1ccc2[nH]c(SCc3cccc(SCCOCCOCCOCCOCCOC)c3C)nc2c1 ZINC000027434663 KK Annotated Anodyne CCOC(=O)c1ccc2[nH]c(SCc3cccc(SCCOCCOCCOCCOCCOC)c3C)nc2c1 ZINC000027435559 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@@H]1CCSS1)O2 ZINC000027436343 KK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@@H]1CCSS1)O2 ZINC000027436348 KK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@H]1CCSS1)O2 ZINC000027436353 KK Annotated Reactive Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@H]1CCSS1)O2 ZINC000027436357 KK Annotated Reactive CSCC[C@H](NC(=O)c1ccc(NCc2cn(Cc3ccc(-c4ccccc4)cc3)cn2)cc1-c1ccccc1)C(=O)O ZINC000027438455 KK Annotated Anodyne C[C@@H](O[C@@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027440852 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccccc2C#N)cc1-c1ccccc1)C(=O)O ZINC000027441042 KK Annotated Mild CC(C)(C)OC(=O)C[C@@](C)(O)C[C@@H](O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000027441174 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@](C)(O)C[C@@H](O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000027441181 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@](C)(O)C[C@H](O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000027441187 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@](C)(O)C[C@H](O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000027441194 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000027441863 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000027441872 KK Annotated Anodyne CN1CCN(c2ccc3nc(-c4ccc5[nH]c(CCCCCCc6ccc(N(CCCl)CCCl)cc6)nc5c4)[nH]c3c2)CC1 ZINC000027442139 KK Annotated Reactive CN(Cc1ccccc1)C(=O)[C@H](NC(=S)N[C@@H]1CCCC[C@H]1N/C=C1/C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)C(C)(C)C ZINC000271773379 KK Annotated Mild CN(Cc1ccccc1)C(=O)[C@H](NC(=S)N[C@@H]1CCCC[C@H]1N/C=C1\C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)C(C)(C)C ZINC000271773383 KK Annotated Mild CN(Cc1ccccc1)C(=O)[C@H](NC(=S)N[C@@H]1CCCC[C@@H]1N/C=C1\C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)C(C)(C)C ZINC000271773387 KK Annotated Mild CN(Cc1ccccc1)C(=O)[C@H](NC(=S)N[C@@H]1CCCC[C@@H]1N/C=C1/C=C(C(C)(C)C)C=C(C(C)(C)C)C1=O)C(C)(C)C ZINC000271773392 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(NN=C5C(=O)C=Cc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c65)c(C)c4)cc3C)cc2)cc1 ZINC000271773763 KK Annotated Mild Fc1c(F)c(F)c([C@@H]2c3ccc([nH]3)[C@@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@@H](N3)[C@@H](c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)[C@@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@H]2N3)c(F)c1F ZINC000271774937 KK Annotated Mild Fc1c(F)c(F)c([C@@H]2c3ccc([nH]3)[C@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@@H](N3)[C@@H](c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)[C@@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@H]2N3)c(F)c1F ZINC000271774947 KK Annotated Mild Fc1c(F)c(F)c([C@@H]2c3ccc([nH]3)[C@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@@H](N3)[C@@H](c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)[C@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@H]2N3)c(F)c1F ZINC000271774956 KK Annotated Mild Fc1c(F)c(F)c([C@@H]2c3ccc([nH]3)[C@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@@H](N3)[C@H](c3c(F)c(F)c(F)c(F)c3F)c3ccc([nH]3)[C@H](c3c(F)c(F)c(F)c(F)c3F)[C@H]3C=C[C@H]2N3)c(F)c1F ZINC000271774964 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@@H](OC)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271775106 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)[C@H](OC)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271775114 KK Annotated Mild Nc1ccc(N=Nc2ccc(-c3ccc(N=Nc4c(S(=O)(=O)O)cc5c(c4N)C(=O)C(=NNc4ccccc4)C(S(=O)(=O)O)=C5)cc3)cc2)c(N)c1 ZINC000271775304 KK Annotated Mild C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)[C@H](C(=O)OC)C=4C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C=O ZINC000271775466 KK Annotated Reactive C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)[C@H](C(=O)OC)C=4C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C=O ZINC000271775477 KK Annotated Reactive C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)[C@H](C(=O)OC)C=4C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C=O ZINC000271775486 KK Annotated Reactive C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)[C@H](C(=O)OC)C=4C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C=O ZINC000271775493 KK Annotated Reactive COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271776400 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(C)=O)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271776403 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(C)=O)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271776408 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271776577 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271776582 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000271776586 KK Annotated Mild CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(NN=C4C(=O)c5c(cc(S(=O)(=O)O)cc5NC(C)=O)C=C4S(=O)(=O)O)cc3)c3ccccc3c2O)c(C(C)(C)CC)c1 ZINC000271778316 KK Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@@]5(C)C4=C(O)C(=O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@]1(C)CC[C@@H]2C(=C(O)C(=O)[C@]3(C)[C@@H]4[C@H](C)[C@]5(CC[C@@H](C)CO5)O[C@@H]4C[C@]23C)[C@@]1(C)C7 ZINC000271778361 KK Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)C4=C(O)C(=O)[C@]3(C)[C@H]1[C@H]2C)C[C@@]1(C)CC[C@@H]2C(=C(O)C(=O)[C@]3(C)[C@@H]4[C@H](C)[C@]5(CC[C@@H](C)CO5)O[C@@H]4C[C@]23C)[C@@]1(C)C7 ZINC000271778374 KK Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@@]5(C)C4=C(O)C(=O)[C@]3(C)[C@H]1[C@H]2C)C[C@@]1(C)CC[C@@H]2C(=C(O)C(=O)[C@]3(C)[C@@H]4[C@H](C)[C@]5(CC[C@@H](C)CO5)O[C@@H]4C[C@]23C)[C@@]1(C)C7 ZINC000271778385 KK Annotated Mild C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)C4=C(O)C(=O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@]1(C)CC[C@@H]2C(=C(O)C(=O)[C@]3(C)[C@@H]4[C@H](C)[C@]5(CC[C@@H](C)CO5)O[C@@H]4C[C@]23C)[C@@]1(C)C7 ZINC000271778398 KK Annotated Mild Cc1ccccc1NC1=CC(=O)C=CC1=NNc1ccc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4c(c3N)C(=O)C(=NNc3ccc(S(=O)(=O)O)cc3)C(S(=O)(=O)O)=C4)cc2)cc1 ZINC000271778436 KK Annotated Mild C[C@H](NC(=O)c1ccccc1[C@@H]1n2c(=O)c3ccccc3c(=O)n2[C@H](c2ccccc2C(=O)N[C@H](C)c2ccccc2)P1c1ccccc1)c1ccccc1 ZINC000271778468 KK Annotated Anodyne COc1cc([C@@H]2Cc3[nH]c4ccc(Br)cc4c3[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc(OC)c1OC ZINC000271778501 KK Annotated Anodyne COc1cc([C@@H]2Cc3[nH]c4ccc(Br)cc4c3[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc(OC)c1OC ZINC000271778506 KK Annotated Anodyne CC1(C)[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C/C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000271778528 KK Annotated Mild CCCCCCCC[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)Cc5nc6c(nc5C[C@]4(C)[C@]3(C)CC[C@@]12C)C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@]3(C)[C@H](CCCCCCCC)CC[C@]23C)[C@@]1(C)C6 ZINC000271779053 KK Annotated Mild CCCCCCCC[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)Cc5nc6c(nc5C[C@@]4(C)[C@@]3(C)CC[C@@]12C)C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@]3(C)[C@H](CCCCCCCC)CC[C@]23C)[C@@]1(C)C6 ZINC000271779084 KK Annotated Mild CCCCCCCC[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)Cc5nc6c(nc5C[C@]4(C)[C@@]3(C)CC[C@@]12C)C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@]3(C)[C@H](CCCCCCCC)CC[C@]23C)[C@@]1(C)C6 ZINC000271779110 KK Annotated Mild CCCCCCCC[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)Cc5nc6c(nc5C[C@@]4(C)[C@]3(C)CC[C@@]12C)C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@]3(C)[C@H](CCCCCCCC)CC[C@]23C)[C@@]1(C)C6 ZINC000271779137 KK Annotated Mild COc1cccc([C@@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC(N3CCCCC3)CC2)c1OC ZINC000027517277 KK Annotated Anodyne COc1cccc([C@H](CN(C)C(=O)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCC(N3CCCCC3)CC2)c1OC ZINC000027517279 KK Annotated Anodyne CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027517296 KK Annotated Reactive CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027517298 KK Annotated Reactive O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027517314 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cc(-c3nc4ccccc4[nH]3)cs2)c2ccccc21 ZINC000027517316 KK Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2cccc(-c3nc4ccccc4[nH]3)c2)c2ccccc21 ZINC000027517318 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2cccc(-c3nc4ccccc4[nH]3)c2)c2ccccc21 ZINC000027517320 KK Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)s2)c2ccccc21 ZINC000027517482 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(-c3nc4ccccc4[nH]3)s2)c2ccccc21 ZINC000027517483 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000027517605 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2ccc(C)cc2)cc1-c1ccccc1 ZINC000027517606 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2cccc([N+](=O)[O-])c2)cc1-c1ccccc1 ZINC000027517637 KK Annotated Bother COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2ccccc2C)cc1-c1ccccc1 ZINC000027517643 KK Annotated Anodyne CN(C[C@H](c1cc(Cl)cc(Cl)c1Cl)N1CCC(N2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517649 KK Annotated Anodyne CN(C[C@@H](c1cc(Cl)cc(Cl)c1Cl)N1CCC(N2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027517650 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2ccccc2C#N)cc1-c1ccccc1 ZINC000027517660 KK Annotated Mild CCOC(=O)c1ccc2nc(N3C(=O)[C@@H](C)[C@@H]4[C@@H]3CCN4C(=O)[C@@H]3CCCN3C(=O)Nc3ccc(C(C)C)cc3)sc2c1 ZINC000027517701 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2cccc(Cl)c2)cc1-c1ccccc1 ZINC000027517856 KK Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(SC)nc3C)CC2)CC1 ZINC000027517930 KK Annotated Mild COC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CO[P@](=O)(O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C ZINC000027518047 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2cccc(C#N)c2)cc1-c1ccccc1 ZINC000027518111 KK Annotated Mild COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CCC(=O)N[C@@H]3CCc4ccccc4NC3=O)c2=O)cc1 ZINC000027518129 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(Cl)cc2)cc1-c1ccccc1)C(=O)O ZINC000027518146 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2ccccc2Cl)cc1-c1ccccc1 ZINC000027518359 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccccc2Cl)cc1-c1ccccc1)C(=O)O ZINC000027518360 KK Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000027518384 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCCc2ccc(-c3nc4ccccc4[nH]3)cc2)c2ccccc21 ZINC000027518385 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2ccc(Cl)cc2)cc1-c1ccccc1 ZINC000027518438 KK Annotated Anodyne CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CO[P@](=O)(O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)C)C(C)C)C(=O)O ZINC000027518446 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc2cccc(C)c2)cc1-c1ccccc1 ZINC000027518482 KK Annotated Anodyne CCOP(=O)(OCC)C(C[C@@H](C(=O)c1ccc(OC)cc1)c1ccccn1)P(=O)(OCC)OCC ZINC000027518575 KK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H](C(=O)c1ccc(OC)cc1)c1ccccn1)P(=O)(OCC)OCC ZINC000027518576 KK Annotated Anodyne O=C1c2cccc3cc4c([N+](=O)[O-])cccc4c(c23)C(=O)N1CCNCCNCCN1C(=O)c2cccc3cc4c([N+](=O)[O-])cccc4c(c23)C1=O ZINC000027518580 KK Annotated Bother CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027518625 KK Annotated Reactive CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C/CCCC(=O)O)C[C@H]12 ZINC000027518626 KK Annotated Reactive CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CC1 ZINC000027518678 KK Annotated Mild CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(N)cccc3Cl)CC2)CC1 ZINC000027518694 KK Annotated Mild C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000027518761 KK Annotated Clean C[n+]1cccc(-c2c3ccc(n3)c(-c3ccc[n+](C)c3)c3ccc([nH]3)c(-c3ccc[n+](C)c3)c3ccc([nH]3)c(-c3ccc[n+](C)c3)c3ccc2n3)c1 ZINC000027518767 KK Annotated Bother Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC3CC3)c3ccc(Br)cc3)CC2)CC1 ZINC000027518832 KK Annotated Mild CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 ZINC000027518835 KK Annotated Mild CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cncc3C)CC2)CC1 ZINC000027518836 KK Annotated Mild C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000027518853 KK Annotated Anodyne Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 ZINC000027518916 KK Annotated Anodyne COCCN(CCOC)Cc1cc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n(-c2ccc(Br)cc2)n1 ZINC000027518944 KK Annotated Anodyne O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)OCc3ccccc3)cc2)c2ccccc21 ZINC000027518980 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)OCc3ccccc3)cc2)c2ccccc21 ZINC000027518981 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2cccc(Cl)c2)cc1-c1ccccc1)C(=O)O ZINC000027519032 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3cccc(C(=O)O)c3)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc2[nH]3)cc1 ZINC000027519067 KK Annotated Clean O=C(O)C[C@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)CCc3ccccc3)cc2)c2ccccc21 ZINC000027519315 KK Annotated Anodyne O=C(O)C[C@@H]1c2ccccc2C(=O)N(CC(=O)NCc2ccc(NC(=O)CCc3ccccc3)cc2)c2ccccc21 ZINC000027519318 KK Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 ZINC000027519403 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc([N+](=O)[O-])cc2)cc1-c1ccccc1)C(=O)O ZINC000027519426 KK Annotated Bother COc1cc(OC)c(C(=O)O[C@@H](CSc2ncnc3nc[nH]c23)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000027519540 KK Annotated Anodyne COc1cc(OC)c(C(=O)O[C@H](CSc2ncnc3nc[nH]c23)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000027519543 KK Annotated Anodyne CCO/N=C(/c1ccc(C(F)(F)F)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cc[n+]([O-])c3C)CC2)CC1 ZINC000027519599 KK Annotated Mild CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]34C)CC2)nc1N(CC)CC ZINC000027519601 KK Annotated Anodyne CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@@]43C)CC2)nc1N(CC)CC ZINC000027519603 KK Annotated Anodyne CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@@H]4[C@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]34C)CC2)nc1N(CC)CC ZINC000027519605 KK Annotated Anodyne CCN(CC)c1ccc(N2CCN(CC(=O)[C@H]3[C@H](C)C[C@H]4[C@H]5CCC6=CC(=O)C=C[C@]6(C)C5=CC[C@]34C)CC2)nc1N(CC)CC ZINC000027519608 KK Annotated Anodyne Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 ZINC000027519618 KK Annotated Mild O=[N+]([O-])c1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(O)c([N+](=O)[O-])c4)c4ccc(cc5ccc2[nH]5)n4)n3)ccc1O ZINC000027519646 KK Annotated Bother O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)CC1 ZINC000027519784 KK Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)CC1 ZINC000027519786 KK Annotated Anodyne CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cccc3N)CC2)CC1 ZINC000027519842 KK Annotated Mild CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(OC)nc3C)CC2)CC1 ZINC000027519860 KK Annotated Mild Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(F)(F)F)c3ccc(Br)cc3)CC2)CC1 ZINC000027519867 KK Annotated Mild CC[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](CC)cc3)c3ccc([nH]3)c(-c3cc[n+](CC)cc3)c3ccc([nH]3)c(-c3cc[n+](CC)cc3)c3ccc2n3)cc1 ZINC000027519915 KK Annotated Clean CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(F)cccc3C(F)(F)F)CC2)CC1 ZINC000027519992 KK Annotated Mild O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCCNCCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000027520014 KK Annotated Bother CC(=O)Nc1cccc(-c2c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc2[nH]3)c1 ZINC000027520099 KK Annotated Clean O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520238 KK Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)CC1 ZINC000027520240 KK Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)c[n+]([O-])cc3Br)CC2)CC1 ZINC000027520281 KK Annotated Mild CN(CCN(C)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O)CCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000027520429 KK Annotated Bother Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)(C)C)c3ccc(Br)cc3)CC2)CC1 ZINC000027520601 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1)C(=O)O ZINC000027520678 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(-c2cccs2)nn1-c1ccc(Br)cc1 ZINC000027520723 KK Annotated Anodyne O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCNCCCNCCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000027520745 KK Annotated Bother CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C)nc3C)CC2)CC1 ZINC000027520891 KK Annotated Mild CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)cncc3Br)CC2)CC1 ZINC000027520893 KK Annotated Mild CC(=O)Oc1ccccc1C(=O)O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027521207 KK Annotated Anodyne CC(=O)Oc1ccccc1C(=O)O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000027521208 KK Annotated Anodyne O[C@@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)CC1 ZINC000027521335 KK Annotated Anodyne O[C@H](CSc1ncnc2nc[nH]c12)CN1CCN(C(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)CC1 ZINC000027521337 KK Annotated Anodyne CC1(C)CCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)O)CC4)c3)nc2C1 ZINC000027521431 KK Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC2)CC1 ZINC000027521630 KK Annotated Mild Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC(C)C)c3ccc(Br)cc3)CC2)CC1 ZINC000027521641 KK Annotated Mild CC1(C)C[C@@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000027521693 KK Annotated Clean CC1(C)C[C@H]2C[C@](C)(CN2CCC(=O)NC2=C[C@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000027521696 KK Annotated Clean CC1(C)Cc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)O)CC4)c3)nc2C1 ZINC000027521740 KK Annotated Anodyne CCCCCC[C@H](C(=O)N1C[C@@H](Oc2ccc3sccc3c2)C[C@H]1C(=O)O)n1cnc(NC(=O)c2ccccc2S(=O)(=O)O)c1 ZINC000027521862 KK Annotated Anodyne CCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000027521997 KK Annotated Mild Cc1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000027522011 KK Annotated Clean C[n+]1ccc(-c2c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000027522013 KK Annotated Clean C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000027522015 KK Annotated Clean CCCO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000027522040 KK Annotated Mild CCN(CC)c1ccc(C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(N(CC)CC)cc2)cc1 ZINC000027522068 KK Annotated Mild C[C@@H]1CCCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)O)CC4)c3)nc21 ZINC000027522279 KK Annotated Anodyne C[C@H]1CCCc2ccc(/C=C/c3cccc([C@@H](CCc4ccccc4C(C)(C)O)SCC4(CC(=O)O)CC4)c3)nc21 ZINC000027522282 KK Annotated Anodyne O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCCNCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000027522328 KK Annotated Bother CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3c(n2)CSC3)c1 ZINC000027522456 KK Annotated Anodyne O=C1c2cccc3cc4c([N+](=O)[O-])cccc4c(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3cc4c([N+](=O)[O-])cccc4c(c23)C1=O ZINC000027522482 KK Annotated Bother Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OC(C)C)c3ccc(Br)cc3)CC2)CC1 ZINC000027522616 KK Annotated Mild CCCCc1nc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)O)CC3)c2)ccc1C ZINC000027522845 KK Annotated Anodyne CO/N=C(/c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 ZINC000027523070 KK Annotated Mild C[C@H](NC(=O)C[C@@H](C)CC(=O)O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000027523482 KK Annotated Anodyne CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3c(n2)CCC3)c1 ZINC000027523946 KK Annotated Anodyne Cc1cc(Sc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c2ccccc2n1 ZINC000027524131 KK Annotated Anodyne O=C(O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@H]2CC=C(C(C(=O)O)C(=O)O)CC2)cc1 ZINC000027525108 KK Annotated Anodyne O=C(O)CCCCCN(CCCC1CCCCC1)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC=C(C(C(=O)O)C(=O)O)CC2)cc1 ZINC000027525111 KK Annotated Anodyne COc1cc2c(cc1OCCCC(=O)Nc1cc3cccc4ccc5cccc1c5c43)N=C[C@@H]1CCCN1C2=O ZINC000027525159 KK Annotated Bother CNC(=O)OCc1nc(SC)n(CCCc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)c1COC(=O)NC ZINC000027526178 KK Annotated Clean CNCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 ZINC000027526489 KK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3Br)sc3ccccc23)CC1 ZINC000027526660 KK Annotated Anodyne COc1ccc(S(=O)(=O)/N=C(\O)[C@@](C)(Oc2ccc(C(C)C)cc2)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000027526666 KK Annotated Mild COc1ccc(S(=O)(=O)/N=C(\O)[C@](C)(Oc2ccc(C(C)C)cc2)[C@@H](C)c2ccc(Cl)cc2)cc1 ZINC000027526668 KK Annotated Mild COc1ccc(S(=O)(=O)/N=C(\O)[C@](C)(Oc2ccc(C(C)C)cc2)[C@H](C)c2ccc(Cl)cc2)cc1 ZINC000027526670 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSC2CCCCC2)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027527096 KK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccccc3I)sc3ccccc23)CC1 ZINC000027527317 KK Annotated Anodyne CNC(=O)OCc1ncn(CCCc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)c1COC(=O)NC ZINC000027546450 KK Annotated Clean COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547504 KK Annotated Anodyne COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027547793 KK Annotated Anodyne COc1ccc(S(=O)(=O)Cc2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027547797 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c([N+](=O)[O-])cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027547802 KK Annotated Bother COCc1cc(Br)ccc1OCc1sc2ccccc2c1CCN1CCC(N(C)C)CC1 ZINC000027547939 KK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3CO)sc3ccccc23)CC1 ZINC000027547942 KK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(Br)cc3C(F)(F)F)sc3ccccc23)CC1 ZINC000027547946 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000027548028 KK Annotated Anodyne CN(C)C1CCN(CCc2c(COc3ccc(CO)cc3Br)sc3ccccc23)CC1 ZINC000027548388 KK Annotated Anodyne CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@H]2CC=C(C(C(=O)O)C(=O)O)CC2)cc1 ZINC000027548456 KK Annotated Anodyne CC(C)CCCCN(CCCCCC(=O)O)S(=O)(=O)/C=C/c1ccc(NC(=O)[C@@H]2CC=C(C(C(=O)O)C(=O)O)CC2)cc1 ZINC000027548460 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSc2ccccc2C)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027549663 KK Annotated Anodyne COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027549918 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(Cl)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550319 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(Br)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550324 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSc2ccccc2)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027550352 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSC(C)(C)C)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027550356 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(Br)cc(C)c(OC(=O)OC)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550434 KK Annotated Anodyne CSc1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)NC(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000027550597 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(NC(C)=O)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550720 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c([N+]#N)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027550910 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(N)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027551904 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(OC(=O)OC)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027551908 KK Annotated Anodyne CCSC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)O)c(-c2ccccc2C)c1 ZINC000027552242 KK Annotated Anodyne CCS(=O)(=O)C[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000027552360 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(I)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000027552614 KK Annotated Anodyne CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(-c2ccc(CN3CCCCC[C@@H]3c3ccccc3)[nH]2)c1 ZINC000027552980 KK Annotated Anodyne CCCCC(=O)Oc1c(C)ccc(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)c1C(=O)O ZINC000027553572 KK Annotated Anodyne CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c5[nH]c(cc6[nH]c(cc1n2)c(C)c6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000027554028 KK Annotated Bother CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c(CC(=O)OC)c4[nH]c(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000027554702 KK Annotated Bother CCCN(C(=O)[C@@H](C)C1(OC(=O)CC)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027555077 KK Annotated Anodyne CCCN(C(=O)[C@H](C)C1(OC(=O)CC)CCN(CCc2ccccc2Cl)CC1)c1ccccc1OC ZINC000027555079 KK Annotated Anodyne CCCCCCO[C@@H](C)c1c(C)c2cc3nc(c4c5nc(cc6[nH]c(cc1[nH]2)[C@@](C)(O)[C@]6(O)CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000027555638 KK Annotated Bother COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000027556909 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N([C@H](C(N)=O)c2ccc3ccccc3c2)CC[C@H](C)N1C(=O)Cc1ccc2ccccc2c1 ZINC000027558460 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N([C@H](C(N)=O)c2ccc3ccccc3c2)CC[C@@H](C)N1C(=O)Cc1ccc2ccccc2c1 ZINC000027558462 KK Annotated Anodyne N=C(NCc1cccs1)N/N=C/c1c2ccccc2c(/C=N/NC(=N)NCc2cccs2)c2ccccc12 ZINC000027559184 KK Annotated Mild COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1ccccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000027559462 KK Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(Cl)(Cl)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000027559482 KK Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(Cl)(Cl)[P@@](=O)(O)OCOC(=O)C(C)(C)C ZINC000027559503 KK Annotated Anodyne COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1cccc(S(=O)(=O)c2ccc(C)cc2)c1 ZINC000027559800 KK Annotated Anodyne CCOC(=O)c1c(CSc2nccn2C)nc2cc(OCC)c(OCC)cc2c1-c1ccc(OC)c(OC)c1 ZINC000027559922 KK Annotated Anodyne C(=N/NC1=NCc2ccccc2CN1)\c1c2ccccc2c(/C=N/NC2=NCc3ccccc3CN2)c2ccccc12 ZINC000027560196 KK Annotated Mild CC1(C)CCC(C)(C)NC(N/N=C/c2c3ccccc3c(/C=N/NC3=NC(C)(C)CCC(C)(C)N3)c3ccccc23)=N1 ZINC000027560201 KK Annotated Mild CCCCC1(CCCC)CN=C(N/N=C/c2c3ccccc3c(/C=N/NC3=NCC(CCCC)(CCCC)CN3)c3ccccc23)NC1 ZINC000027560203 KK Annotated Mild CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CN[C@@H](C)c4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(=O)[C@@H]1C(=O)O ZINC000027560218 KK Annotated Clean N=C(N/N=C/c1c2ccccc2c(/C=N/NC(=N)N[C@@H]2CCc3ccccc32)c2ccccc12)N[C@@H]1CCc2ccccc21 ZINC000027560244 KK Annotated Mild O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(O[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1)C(=O)O ZINC000027560332 KK Annotated Clean O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(O[C@H]2CCN2C(c2ccccc2)c2ccccc2)cc1)C(=O)O ZINC000027560335 KK Annotated Clean CC(C)(C)[C@H](O)c1ccc(C(=O)OCC(COC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)OC(=O)c2ccc([C@@H](O)C(C)(C)C)cc2)cc1 ZINC000027560366 KK Annotated Anodyne CC(C)(C)[C@H](O)c1ccc(C(=O)OCC(COC(=O)c2ccc([C@@H](O)C(C)(C)C)cc2)OC(=O)c2ccc([C@@H](O)C(C)(C)C)cc2)cc1 ZINC000027560368 KK Annotated Anodyne CC(C)(C)[C@H](O)c1ccc(C(=O)OC(COC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)COC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)cc1 ZINC000027560370 KK Annotated Anodyne N=C(N/N=C/c1c2ccccc2c(/C=N/NC(=N)NC2CCCCC2)c2ccccc12)NC1CCCCC1 ZINC000027560674 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCCO[P@@](=O)(O)OCCC=C(c1cc(Cl)c(O)c(C(=O)O)c1)c1cc(Cl)c(O)c(C(=O)O)c1 ZINC000027560817 KK Annotated Anodyne CSc1ccc(CC(=O)OCC[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)cc1 ZINC000027561930 KK Annotated Mild CSc1ccc(CC(=O)OCC[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)cc1 ZINC000027561932 KK Annotated Mild c1ccc2c(c1)OC[C@@H]1CCN(CCCCCCNCCCCCCCCNCCCCCCN3CC[C@@H]4COc5ccccc5[C@@H]43)[C@H]21 ZINC000027561950 KK Annotated Anodyne N=C(NCc1ccccc1)N/N=C/c1c2ccccc2c(/C=N/NC(=N)NCc2ccccc2)c2ccccc12 ZINC000027562367 KK Annotated Mild COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000027562572 KK Annotated Anodyne CC(C)(C)C(=O)c1ccc(C(=O)OCC(COC(=O)c2ccc(C(=O)C(C)(C)C)cc2)OC(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027562605 KK Annotated Anodyne COc1ccc(CNCCN(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000027563363 KK Annotated Anodyne COc1ccc(-c2c(-c3ccc(N(C)C)cc3)nc3ncnc(N)c3c2-c2cccc(Br)c2)cc1OC ZINC000027563509 KK Annotated Anodyne O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2cc(NS(=O)(=O)c3ccccc3)ccc2C1 ZINC000027563750 KK Annotated Anodyne CC(C)(C)C(=O)c1ccc(COCC(COCc2ccc(C(=O)C(C)(C)C)cc2)OCc2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000027563970 KK Annotated Anodyne COc1c(Nc2cc(Br)c(Br)c(Br)c2OC)cc(Br)c(Br)c1Br ZINC000027564212 KK Annotated Anodyne CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)C[C@@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564673 KK Annotated Anodyne CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)C[C@H]1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000027564674 KK Annotated Anodyne CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000027617771 KK Annotated Mild CCCOc1ccc(C(=O)OCC[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)cc1 ZINC000027617777 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)OCOC(=O)C(C)(C)C)CC[C@]23C)C1(C)C ZINC000027618280 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C(=O)[C@]4(C(=O)OCOC(=O)C(C)(C)C)CC[C@]23C)C1(C)C ZINC000027618404 KK Annotated Anodyne CC(=O)OCOC(=O)[C@@]1(CC(=O)C(=O)C(C)C)CC[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 ZINC000027618558 KK Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C(=O)[C@@](CC(=O)C(=O)C(C)C)(C(=O)OCOC(=O)C(C)(C)C)CC[C@]23C)C1(C)C ZINC000027618562 KK Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=C(C(C)C)C(=O)C[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000027619172 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000027619994 KK Annotated Anodyne CC(=O)OC[C@@]1(C(=O)C(=O)C(=O)C(C)C)CC[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 ZINC000027621494 KK Annotated Clean CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)CC[C@]34C)[C@]23O[C@H]13 ZINC000027621852 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H](C(=O)OCOC(=O)C(C)(C)C)[C@@]3(C)CCC(=O)OCOC(=O)C(C)(C)C)C1(C)C ZINC000027621901 KK Annotated Anodyne CC(=O)OC[C@@]1(CC(=O)C(=O)C(C)C)CC[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 ZINC000027622620 KK Annotated Clean CC(=O)OC[C@]12C=CC(C(C)C)=C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000027624708 KK Annotated Anodyne CC(=O)OCOC(=O)[C@]1(COC(C)=O)CC[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 ZINC000027625100 KK Annotated Anodyne CC(=O)OCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000027625463 KK Annotated Anodyne COC(=O)[C@@]1(CC(=O)C(=O)C(C)C)CC[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 ZINC000027625729 KK Annotated Clean CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000027625794 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027626427 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027626432 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000027626591 KK Annotated Anodyne CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626691 KK Annotated Anodyne CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2COCc2ccccc2)cc1 ZINC000027626696 KK Annotated Anodyne COC(=O)C[C@]1(C(=O)OCOC(=O)C(C)(C)C)CC[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 ZINC000027626869 KK Annotated Anodyne CC(=O)OCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000027627475 KK Annotated Anodyne C[C@@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1cccc2ccccc12 ZINC000027628184 KK Annotated Reactive CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)O)CC[C@@]43C)[C@]23O[C@H]13 ZINC000027628516 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCCCCCC(=O)O)CC[C@]34C)[C@]23O[C@H]13 ZINC000027628528 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-] ZINC000027629739 KK Annotated Clean C[N+](C)(CCS)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCS)cc3)cc2)cc1 ZINC000027630068 KK Annotated Mild S=C(/N=c1\snc(Nc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 ZINC000027630155 KK Annotated Anodyne S=C(/N=c1\snc(Nc2cccc(Cl)c2)n1-c1cccc(Cl)c1)Nc1ccc(Cl)cc1 ZINC000027630161 KK Annotated Anodyne S=C(/N=c1\snc(Nc2ccccc2Cl)n1-c1ccccc1Cl)Nc1ccc(Cl)cc1 ZINC000027631060 KK Annotated Anodyne O=C(Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)NC(c1ccccc1)c1ccccc1 ZINC000027632070 KK Annotated Reactive CC(=O)SCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCSC(C)=O)cc3)cc2)cc1 ZINC000027632902 KK Annotated Mild COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])o5)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027633528 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])o5)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027633533 KK Annotated Reactive COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5cnn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027634123 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5cnn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027634127 KK Annotated Reactive C[C@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1cccc2ccccc12 ZINC000027634488 KK Annotated Reactive CC(=O)CCC[N+](C)(C)CC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)C[N+](C)(C)CCCC(C)=O)cc3)cc2)cc1 ZINC000027635265 KK Annotated Mild CCNCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027636108 KK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])s5)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027636601 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])s5)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027636607 KK Annotated Reactive C[C@@H]1CCCCN1CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027636738 KK Annotated Bother C[C@H]1CCCCN1CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027636740 KK Annotated Bother CCOC(=O)c1cc([N+](=O)[O-])c(COC(=O)Nc2cc3c(c4ccccc24)[C@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)n1C ZINC000027636770 KK Annotated Reactive CCOC(=O)c1cc([N+](=O)[O-])c(COC(=O)Nc2cc3c(c4ccccc24)[C@@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)n1C ZINC000027636771 KK Annotated Reactive COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027636888 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027636895 KK Annotated Reactive O=C(O)c1cccc(C(CC(=O)c2ccc(I)cc2)CC(=O)c2ccc(I)cc2)c1 ZINC000027637017 KK Annotated Anodyne Clc1ccc2c(c1)nc1cc(Nc3ccccc3)/c(=N/CCN3CCOCC3)cc-1n2-c1ccccc1 ZINC000027637214 KK Annotated Bother Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N\CCCNC2CCCCC2)cc1 ZINC000027637225 KK Annotated Bother NCCCCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027637641 KK Annotated Bother CCO/C(O)=C1\C(COCCNc2nccnc2Cl)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027637664 KK Annotated Anodyne CCO/C(O)=C1\C(COCCNc2nccnc2Cl)=NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027637668 KK Annotated Anodyne COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5CCO)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027638002 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5CCO)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027638008 KK Annotated Reactive OCCCN1CCN(CCC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000027638060 KK Annotated Bother NCCCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027638167 KK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027638502 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027638509 KK Annotated Reactive COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5cnc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027638515 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5cnc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027638521 KK Annotated Reactive Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCN2CCOCC2)cc1 ZINC000027638726 KK Annotated Bother O=C(O)[C@@H](Cc1ccc(O)cc1)N(Cc1ccccc1-c1ccccc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027638985 KK Annotated Anodyne O=C(O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1-c1ccccc1)C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000027638993 KK Annotated Anodyne C[C@@H](C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)N(C)C ZINC000027639267 KK Annotated Bother C[C@H](C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)N(C)C ZINC000027639272 KK Annotated Bother CCN(CC)CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639332 KK Annotated Bother CC[C@@H](CO)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639338 KK Annotated Bother CC[C@H](CO)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639344 KK Annotated Bother O=[N+]([O-])c1c(Cl)cccc1-c1cn(CC(I)=C(I)I)cc1Cl ZINC000027639524 KK Annotated Bother O=C1CCCN1CC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027639919 KK Annotated Bother CC(C)(C)CC(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCNC(=S)/N=C1\C=CC(=C2c3ccc(O)cc3Oc3cc(O)ccc32)C(C(=O)O)=C1 ZINC000027641693 KK Annotated Mild O=C(c1ccccc1)c1cccn1CC(I)=C(I)I ZINC000027642002 KK Annotated Anodyne CCOC(=O)c1cc(COC(=O)Nc2cc3c(c4ccccc24)[C@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)c([N+](=O)[O-])n1C ZINC000027642029 KK Annotated Reactive CCOC(=O)c1cc(COC(=O)Nc2cc3c(c4ccccc24)[C@@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)c([N+](=O)[O-])n1C ZINC000027642036 KK Annotated Reactive CCCNCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027642461 KK Annotated Bother O=C(O)CCCOc1ccccc1-c1cc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2o1 ZINC000027642490 KK Annotated Anodyne CCCn1nc(C(C)C)c(C(N)=O)c1Cc1ccc(-c2ccccc2NS(=O)(=O)C(F)(F)F)cc1 ZINC000027642505 KK Annotated Anodyne CNCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027642754 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCCNC2CCCCC2)cc1 ZINC000027642803 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CC2CCNCC2)cc1 ZINC000027642915 KK Annotated Bother COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027643009 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027643018 KK Annotated Reactive COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ncn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027643286 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ncn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027643295 KK Annotated Reactive COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ccn5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027643744 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ccn5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027643750 KK Annotated Reactive O=[N+]([O-])c1c(Cl)c(Cl)n(CC#CI)c1Cc1cc(Cl)cc(Cl)c1O ZINC000027644224 KK Annotated Mild COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ncn5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027644898 KK Annotated Reactive COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ncn5C)c5ccccc5c43)[nH]c2c(OC)c1OC ZINC000027644905 KK Annotated Reactive c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N\CCCNC2CCCCC2)cc1 ZINC000027645201 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCCN2CCOCC2)cc1 ZINC000027645308 KK Annotated Bother CC(C)NCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027645315 KK Annotated Bother CCCCN(CCCC)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027645634 KK Annotated Bother CC1CCN(CC[C@@H](C)[C@@H](C)S(=O)(=O)c2cc(Br)c(Br)cc2-c2cccs2)CC1 ZINC000027646480 KK Annotated Anodyne CC1CCN(CC[C@@H](C)[C@H](C)S(=O)(=O)c2cc(Br)c(Br)cc2-c2cccs2)CC1 ZINC000027646489 KK Annotated Anodyne COC(C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1)OC ZINC000027646574 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCCCC2)cc1 ZINC000027646580 KK Annotated Bother CCOC(=O)c1cn(CC(I)=C(I)I)c(Cl)c1Cl ZINC000027646628 KK Annotated Anodyne C[C@@H](CN(C)C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027647322 KK Annotated Bother C[C@H](CN(C)C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027647325 KK Annotated Bother CC(C)(C)c1cc(I)c2c(c1)CN(CN1COc3c(I)cc(C(C)(C)C)cc3C1)CO2 ZINC000027647514 KK Annotated Anodyne O=C(O)CCCCCCCCCCCNC(=O)Cc1c2n(c3ccccc13)CCn1c-2cc2ccccc21 ZINC000027647519 KK Annotated Clean Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCO[P@@](=O)(O)Oc3cccc(Cl)c3)c3ccccc32)c2ccccc12 ZINC000027647947 KK Annotated Anodyne CC1(C)CC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC(C)(C)N1 ZINC000027648338 KK Annotated Bother CC(C)[C@@H](C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027648879 KK Annotated Bother CC(C)[C@H](C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027648883 KK Annotated Bother OCCN(CCO)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027649099 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CC2CCCCC2)cc1 ZINC000027649362 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\C2CCCCCC2)cc1 ZINC000027649366 KK Annotated Bother C[C@@H]1CCCCN1CCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027649753 KK Annotated Bother C[C@H]1CCCCN1CCC/N=c1\cc2n(-c3ccccc3)c3ccccc3nc-2cc1Nc1ccccc1 ZINC000027649758 KK Annotated Bother C=C1CC(=N\OC)/C=C/C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@@H](C)C1)O2 ZINC000027650604 KK Annotated Mild NCCCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027650739 KK Annotated Bother CN1CCN(CCC/N=c2\cc3n(-c4ccccc4)c4ccccc4nc-3cc2Nc2ccccc2)CC1 ZINC000027650868 KK Annotated Bother CN1CCN(CCC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000027651121 KK Annotated Bother CCN1CCC[C@@H]1C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027651159 KK Annotated Bother CCN1CCC[C@H]1C/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027651163 KK Annotated Bother OC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000027651702 KK Annotated Bother CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC3(CC1)NCc1cc(C(C)(C)C)cc(I)c1O3)O2 ZINC000027651768 KK Annotated Anodyne OCCNCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000027652497 KK Annotated Bother CC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000027652816 KK Annotated Bother CCOc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(OCC)cc4)c-3c/c2=N\CCN(CC)CC)cc1 ZINC000027653091 KK Annotated Bother CCN1CCC[C@@H](/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)C1 ZINC000027653176 KK Annotated Bother CCN1CCC[C@H](/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)C1 ZINC000027653180 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N\CCN2CCNCC2)cc1 ZINC000027653184 KK Annotated Bother COC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(C(=O)OC)cc3)[nH]c3ccccc23)cc1 ZINC000027653396 KK Annotated Reactive O=C(O)CCCCCCCCCCCNC(=O)Cc1cn(CCCn2ccc3ccccc32)c2ccccc12 ZINC000027653511 KK Annotated Anodyne O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCO[P@](=O)(O)Oc1ccccc1 ZINC000027653845 KK Annotated Anodyne O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C(=O)O)cc2)[nH]c2ccccc12)NCc1ccc(C(=O)O)cc1 ZINC000027654096 KK Annotated Reactive O=C(Cc1cn(CCCn2cccc2)c2ccccc12)NCCCCCCCCCCCO[P@](=O)(O)c1ccccc1Cl ZINC000027654774 KK Annotated Anodyne O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCO[P@@](=O)(O)OC1CCCCC1 ZINC000027655036 KK Annotated Anodyne O=C(Cc1ccc[n+]([O-])c1)N1CCC([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000027656651 KK Annotated Anodyne CC[C@@H](c1ccc(I)c(O)c1)[C@@H](CC)c1ccc(I)c(O)c1 ZINC000027656699 KK Annotated Anodyne CC[C@H](c1ccc(I)c(O)c1)[C@H](CC)c1ccc(I)c(O)c1 ZINC000027656700 KK Annotated Anodyne O=C(O)CCCCCCCCCCCNC(=O)Cc1cn(CCCOC2CCCCC2)c2ccccc12 ZINC000027656900 KK Annotated Anodyne Cn1c(-c2c(OCC(=O)NCCCCCCCCCCCC(=O)O)c3ccccc3n2C)cc2ccccc21 ZINC000027657121 KK Annotated Anodyne O=C(O)CCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3ccccc32)c2ccccc12 ZINC000027657455 KK Annotated Anodyne COC(=O)CCCCCCCCCCCNC(=O)COc1c(-c2cc3ccccc3n2C)n(C)c2ccccc12 ZINC000027657473 KK Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(=O)c7ccccc7)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000027657525 KK Annotated Mild Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6cc(NC(=O)c7ccccc7)ccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000027657527 KK Annotated Mild COC(=O)c1c(Br)c(OC)cc(O)c1CSC[C@@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1=NOCCO1 ZINC000027657843 KK Annotated Bother COC(=O)c1c(Br)c(OC)cc(O)c1CSC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nc(C)no1 ZINC000027657932 KK Annotated Bother COc1ccc2c(c1OCc1ccccc1)C[C@H](C(=O)O)N(C(=O)Cc1c(Cl)cccc1Cl)C2 ZINC000027703627 KK Annotated Anodyne COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)Cc1c(Cl)cccc1Cl)C2 ZINC000027703632 KK Annotated Anodyne CCN(CC)C(=O)c1cc(=O)c(C)c2oc3c(C)c4oc(-c5ccccc5)nc4c(C(=O)N(CC)CC)c3nc1-2 ZINC000027705859 KK Annotated Bother COC(=O)c1c(Br)c(OC)cc(O)c1CSC[C@H](Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1=NOCCO1 ZINC000027706170 KK Annotated Bother c1ccc2c(c1)OCCOc1ccc(cc1)OCCOc1ccccc1OCCOc1ccc(cc1)OCCO2 ZINC000027706353 KK Annotated Anodyne COc1ccc(-c2c(C(=O)O)c(=O)n(Cc3ccccc3OC)c3c2oc2cc([N+](=O)[O-])ccc23)cc1 ZINC000027706809 KK Annotated Bother N#C/N=C(\NCc1ccc[n+]([O-])c1)N1CCC([C@H]2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000027708674 KK Annotated Mild CN(C)CCCn1c(SSc2c(C(=O)Nc3ccccc3)c3ccccc3n2CCCN(C)C)c(C(=O)Nc2ccccc2)c2ccccc21 ZINC000027710826 KK Annotated Reactive COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCN1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c(OC)ccc(c34)C1)C2 ZINC000027711299 KK Annotated Anodyne in-vivo COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCN1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c(OC)ccc(c34)C1)C2 ZINC000027711302 KK Annotated Anodyne in-vivo COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCCN1CC[C@@]34C=C[C@H](OC)C[C@@H]3Oc3c(OC)ccc(c34)C1)C2 ZINC000027711936 KK Annotated Anodyne in-vivo CCCCN(O)C(=O)Nc1cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000027712496 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000027712501 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000027712502 KK Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccccc3C(F)(F)F)c2)C[C@H]1C ZINC000027712552 KK Annotated Mild CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(O)CC)c1OCCC ZINC000027712791 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OCC(C)C)[C@@H](C2=CC=CN(C(=O)Oc3ccccc3)C2)/C1=C(\O)OCC(C)C ZINC000027712892 KK Annotated Anodyne NCCCN(Cc1ccc(-c2ccc(Br)cc2)o1)Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000027713274 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCCCN1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C1)=C2 ZINC000027713630 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCC[N+]1=Cc3ccc(OC)c4c3[C@@]3(C=C[C@H](O)C[C@H]3O4)CC1)C2 ZINC000027713635 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCCCCCN1CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C1)=C2 ZINC000027713986 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCC[N+]1=Cc3ccc(OC)c4c3[C@@]3(C=C[C@H](O)C[C@H]3O4)CC1)C2 ZINC000027713992 KK Annotated Anodyne CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(O)CCC)c1OCCC ZINC000027714122 KK Annotated Anodyne COc1ccccc1Cn1c(=O)c(C(=O)O)c(-c2cc(OC)c(OC)c(OC)c2)c2oc3ccccc3c21 ZINC000027714927 KK Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(C)c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000027715691 KK Annotated Mild CCCNC(=O)N(O)c1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OCCC)c1OCCC ZINC000027715717 KK Annotated Anodyne C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(CCC)c3ccc(F)cc3)c2)C[C@H]1C ZINC000027716639 KK Annotated Mild CCCN(c1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(=O)O)c(=O)n(Cc3ccccc3OC)c12)S(C)(=O)=O ZINC000027717123 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)C)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718247 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)C)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718254 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)C)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718261 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)C)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718266 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)(C)C)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718428 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)(C)C)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718435 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)(C)C)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718441 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)C(C)(C)C)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718448 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@@H](C)CC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718577 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@H](C)CC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718583 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@@H](C)CC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718590 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@H](C)CC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718595 KK Annotated Anodyne CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N(C)O)c1OCCC ZINC000027718683 KK Annotated Anodyne CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(O)C(=O)NCC)c1OCCC ZINC000027719405 KK Annotated Anodyne CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 ZINC000027720042 KK Annotated Reactive CCCCN(CCCC)CCCNC(=O)CCCCC1=C(CCCCC(=O)NCCCN(CCCC)CCCC)C(=O)c2c(O)cccc2C1=O ZINC000027720864 KK Annotated Mild COC(=O)c1ccc(C(=O)c2c(SSc3c(C(=O)c4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1 ZINC000027721631 KK Annotated Reactive CN(C(=O)c1c(SSc2c(C(=O)N(C)c3ccccc3)c3ccccc3n2C)n(C)c2ccccc12)c1ccccc1 ZINC000027724300 KK Annotated Reactive CC1=NC(C)=C(C(=O)OCC(C)C)[C@H](C2=CCN(C(=O)Oc3ccccc3)C=C2)/C1=C(\O)OCC(C)C ZINC000027724545 KK Annotated Anodyne Cn1c(SSc2c(C(=O)Nc3cccs3)c3ccccc3n2C)c(C(=O)Nc2cccs2)c2ccccc21 ZINC000027725071 KK Annotated Reactive Cn1c(SSc2c(C(=O)Nc3ccccn3)c3ccccc3n2C)c(C(=O)Nc2ccccn2)c2ccccc21 ZINC000027725078 KK Annotated Reactive COC(=O)c1ccc(CNC(=O)c2c(SSc3c(C(=O)NCc4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1 ZINC000027725788 KK Annotated Reactive C[C@@H](CNP(=O)(Oc1ccccc1)Oc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027726857 KK Annotated Anodyne C[C@H](CNP(=O)(Oc1ccccc1)Oc1ccccc1)NP(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000027726864 KK Annotated Anodyne CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)NCCCCCC/C(O)=N\S2(=O)=O ZINC000027728132 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)CC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730154 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)CC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730160 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)CC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730166 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)CC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730172 KK Annotated Anodyne C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027734544 KK Annotated Anodyne C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H]2[C@@H](c3ccccc3)CN3O[C@H](c4ccccc4)C[C@@H]23)CC1 ZINC000027735745 KK Annotated Mild Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000027735766 KK Annotated Anodyne Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000027735771 KK Annotated Anodyne Cc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027736256 KK Annotated Anodyne Cc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027736258 KK Annotated Anodyne CC1(C)Oc2ccc3c4c(c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)CCCC4 ZINC000027736263 KK Annotated Anodyne CC1(C)Oc2ccc3c4c(c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)CCCC4 ZINC000027736264 KK Annotated Anodyne CCCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027736708 KK Annotated Anodyne CS(=O)(=O)Nc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027738264 KK Annotated Anodyne C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3OC4(CCCCC4)C[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000027738609 KK Annotated Mild O=C1c2sc3ccccc3c2N(Cc2ccccc2-c2ccccc2)S(=O)(=O)N1Cc1ccccc1-c1ccccc1 ZINC000027741307 KK Annotated Anodyne C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1 ZINC000027741422 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000027741727 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000027741736 KK Annotated Anodyne Cc1c(Cl)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027741829 KK Annotated Anodyne Cc1c(Cl)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027741839 KK Annotated Anodyne Cc1cc(=O)oc2c3c(cc(OCc4ccccc4)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027742976 KK Annotated Anodyne Cc1cc(=O)oc2c3c(cc(OCc4ccccc4)c12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027742986 KK Annotated Anodyne COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000027742997 KK Annotated Anodyne C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H]2CN3O[C@H](c4ccccc4)C[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000027744202 KK Annotated Mild Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000027745706 KK Annotated Anodyne Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000027745720 KK Annotated Anodyne Cc1cc2c(c3oc(=O)cc(C(C)C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000027746086 KK Annotated Anodyne Cc1cc2c(c3oc(=O)cc(C(C)C)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000027746096 KK Annotated Anodyne Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027746105 KK Annotated Anodyne Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027746112 KK Annotated Anodyne O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2cnccc2CCO)cc1 ZINC000027747766 KK Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1 ZINC000027748872 KK Annotated Mild CS(=O)(=O)Nc1ccccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027749235 KK Annotated Anodyne NC(=O)Cc1ccccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027750067 KK Annotated Anodyne NC(=O)Cc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027750076 KK Annotated Anodyne CNS(=O)(=O)Cc1ccccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027751985 KK Annotated Anodyne CNS(=O)(=O)Cc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027751997 KK Annotated Anodyne CCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027752155 KK Annotated Anodyne CSc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000027752748 KK Annotated Bother CSc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000027752756 KK Annotated Bother CSc1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000027752763 KK Annotated Bother CC(=O)NCc1ccc(-c2ccc(CO[C@@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027752944 KK Annotated Anodyne CC(=O)NCc1ccc(-c2ccc(CO[C@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027752955 KK Annotated Anodyne NC(=O)Cc1ccc(-c2ccc(CO[C@@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027753153 KK Annotated Anodyne NC(=O)Cc1ccc(-c2ccc(CO[C@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027753165 KK Annotated Anodyne C[C@@H](CI)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 ZINC000027754511 KK Annotated Anodyne CCCc1ccncc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027754918 KK Annotated Anodyne O=C([C@@H]1Cc2ccc(S(=O)(=O)c3cccc4cnccc34)cc2CN1S(=O)(=O)c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 ZINC000027755329 KK Annotated Anodyne COC(=O)c1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CCNCCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027755428 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)CCNC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000027755461 KK Annotated Anodyne Cc1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CCNCCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027756426 KK Annotated Anodyne CNS(=O)(=O)Cc1ccc(-c2ccc(CO[C@@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027757099 KK Annotated Anodyne CNS(=O)(=O)Cc1ccc(-c2ccc(CO[C@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027757110 KK Annotated Anodyne NC(=O)c1ccc(-c2ccc(CO[C@@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027758059 KK Annotated Anodyne NC(=O)c1ccc(-c2ccc(CO[C@H]3CC[C@H](N4CCCCCC4)[C@H]3OC/C=C\CCC(=O)O)cc2)cc1 ZINC000027758066 KK Annotated Anodyne S=C(N/N=C(/c1ccccn1)C12CC3CC(CC(C3)C1)C2)NNC(=S)c1ccc(Cl)cc1Cl ZINC000027758653 KK Annotated Mild O=C(O)CC/C=C\CO[C@@H]1[C@@H](N2CCCCCC2)CC[C@H]1OCc1ccc(-c2ccccc2CCO)cc1 ZINC000027758744 KK Annotated Anodyne O=C(O)CC/C=C\CO[C@H]1[C@@H](OCc2ccc(-c3ccccc3CCO)cc2)CC[C@@H]1N1CCCCCC1 ZINC000027758753 KK Annotated Anodyne NC(=O)Nc1ccccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027758910 KK Annotated Anodyne NC(=O)Nc1ccccc1-c1ccc(CO[C@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027758918 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@@H](O)C2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027759173 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@H](O)C2CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027759181 KK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027759465 KK Annotated Reactive CCCC[C@@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027759473 KK Annotated Reactive CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027759483 KK Annotated Reactive CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027759494 KK Annotated Reactive Cc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000027760409 KK Annotated Bother Cc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000027760417 KK Annotated Bother Cc1ccc([C@@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000027760426 KK Annotated Bother CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)c[n+]([O-])cc3Br)CC2)CC1 ZINC000027761366 KK Annotated Mild CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 ZINC000027762313 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 ZINC000027762321 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 ZINC000027762329 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 ZINC000027762337 KK Annotated Reactive CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(=O)NCc2ccccc2)(c2ccccc2)CC1=O ZINC000027762345 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(=O)NCc2ccccc2)(c2ccccc2)CC1=O ZINC000027762354 KK Annotated Mild COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000027762512 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000027762518 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000027762527 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000027762535 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000027762543 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000027762548 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000027762555 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000027762563 KK Annotated Anodyne CCCC[C@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027762588 KK Annotated Reactive CCCC[C@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027762597 KK Annotated Reactive CCCC[C@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027762607 KK Annotated Reactive CCCC[C@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027762615 KK Annotated Reactive COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000027762739 KK Annotated Anodyne COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000027762747 KK Annotated Anodyne COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000027762753 KK Annotated Anodyne COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000027762761 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H]1C=CC(=O)[C@@H]([C@@H]2CCCC=C2C)O1 ZINC000027763041 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H]1C=CC(=O)[C@@H]([C@H]2CCCC=C2C)O1 ZINC000027763053 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](CC(C)C)NC2=O)cc1Cl ZINC000027763118 KK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(=O)Nc2ccccc2)(c2ccccc2)CC1=O ZINC000027763395 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(=O)Nc2ccccc2)(c2ccccc2)CC1=O ZINC000027763403 KK Annotated Mild OCCCNCCN(Cc1ccccc1)Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1 ZINC000027763434 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@@H](O)c2ccccc2)cc1-c1ccccc1C)C(=O)O ZINC000027764207 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@H](O)c2ccccc2)cc1-c1ccccc1C)C(=O)O ZINC000027764214 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H](CC2=CCCCC2)C=CC1=O ZINC000027764758 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@@H](O)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1C)C(=O)O ZINC000027765083 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2[C@H](O)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1C)C(=O)O ZINC000027765092 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncc(Cc3ccccc3)c2)cc1-c1ccccc1C)C(=O)O ZINC000027765944 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2ccc(Oc3ccccc3)nc2)cc1-c1ccccc1C)C(=O)O ZINC000027765948 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H]1C=CC(=O)[C@@H](CC2=CCCCC2)O1 ZINC000027766699 KK Annotated Mild Cc1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc(C)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027766779 KK Annotated Anodyne CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CC1 ZINC000027766823 KK Annotated Mild CCCC[C@@H]1S[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N(CCCCc2ccc(C(=O)OC(C)(C)C)cc2)C1=O ZINC000027766830 KK Annotated Anodyne CCCC[C@H]1S[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)N(CCCCc2ccc(C(=O)OC(C)(C)C)cc2)C1=O ZINC000027766837 KK Annotated Anodyne CCCC[C@@H]1S[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N(CCCCc2ccc(C(=O)OC(C)(C)C)cc2)C1=O ZINC000027766844 KK Annotated Anodyne CCCC[C@H]1S[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)N(CCCCc2ccc(C(=O)OC(C)(C)C)cc2)C1=O ZINC000027766850 KK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCCC(=O)N2CCNCC2)(c2ccccc2)CC1=O ZINC000027767188 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCCC(=O)N2CCNCC2)(c2ccccc2)CC1=O ZINC000027767194 KK Annotated Mild COC(=O)c1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CCNCCCO)Cc3cccc(C)c3)n2)c1 ZINC000027767390 KK Annotated Anodyne Cc1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3ccccc3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027767600 KK Annotated Anodyne Cc1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc(C)c3)Cc3cccc(C)c3)n2)c1 ZINC000027767607 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)O ZINC000027767743 KK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 ZINC000027768294 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 ZINC000027768301 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 ZINC000027768308 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 ZINC000027768313 KK Annotated Reactive N=C(N)SCCCn1c(-c2cc3ccccc3s2)c(C2=C(C(=O)c3ccccc3)C(=O)NC2=O)c2ccccc21 ZINC000027768385 KK Annotated Mild CCCC[C@@H]1S[C@H](c2cccc(Oc3ccccc3)c2)N(CCCCc2ccc(C(=O)OCC)cc2)C1=O ZINC000027769075 KK Annotated Anodyne CCCC[C@H]1S[C@H](c2cccc(Oc3ccccc3)c2)N(CCCCc2ccc(C(=O)OCC)cc2)C1=O ZINC000027769080 KK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 ZINC000027769100 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 ZINC000027769106 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 ZINC000027769113 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 ZINC000027769120 KK Annotated Reactive CCCOc1ccncc1/C=C/c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000027769191 KK Annotated Anodyne Cc1c(C(=O)N[C@@H](CSc2ccc3ccccc3c2)[C@H](O)Cc2ccccc2C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000027769230 KK Annotated Bother CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(C)cncc3C)CC2)CC1 ZINC000027769808 KK Annotated Mild CCCC[C@@H]1S[C@@H](c2cccc(Oc3ccccc3)c2)N([C@@H](COCc2ccccc2)C(=O)OC)C1=O ZINC000027769814 KK Annotated Anodyne CCCC[C@H]1S[C@@H](c2cccc(Oc3ccccc3)c2)N([C@@H](COCc2ccccc2)C(=O)OC)C1=O ZINC000027769821 KK Annotated Anodyne CCCC[C@@H]1S[C@H](c2cccc(Oc3ccccc3)c2)N([C@@H](COCc2ccccc2)C(=O)OC)C1=O ZINC000027769829 KK Annotated Anodyne CCCC[C@H]1S[C@H](c2cccc(Oc3ccccc3)c2)N([C@@H](COCc2ccccc2)C(=O)OC)C1=O ZINC000027769837 KK Annotated Anodyne Cc1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc([N+](=O)[O-])c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027842150 KK Annotated Bother CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(=O)C23CC4CC(CC(C4)C2)C3)cc1-c1ccccc1C)C(=O)O ZINC000027842313 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cncc(-c3ccccc3)c2)cc1-c1ccccc1C)C(=O)O ZINC000027842428 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCNC2 ZINC000027842961 KK Annotated Anodyne OCCCNCCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(CN(Cc2cccc(F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000027843374 KK Annotated Mild OCCCNCCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(CN(Cc2ccccc2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000027843383 KK Annotated Anodyne CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 ZINC000027843392 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 ZINC000027843400 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 ZINC000027843413 KK Annotated Reactive CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 ZINC000027843422 KK Annotated Reactive CC(C)c1ccccc1SC1=C(O)O[C@@](CCCC(=O)N(C)c2ccccc2)(c2ccccc2)CC1=O ZINC000027843438 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCC(=O)N(C)c2ccccc2)(c2ccccc2)CC1=O ZINC000027843447 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C2(O)CCCCC2)cc1-c1ccccc1C)C(=O)O ZINC000027844172 KK Annotated Anodyne OCCCN(CCN(Cc1ccccc1)Cc1cccc(CN(Cc2ccccc2)Cc2ccccc2)n1)Cc1ccccc1 ZINC000027844197 KK Annotated Anodyne Cc1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc(F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027844205 KK Annotated Anodyne O=[N+]([O-])c1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(CN(CCNCCCO)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027844213 KK Annotated Bother CCc1cnccc1-c1ccc(CO[C@@H]2CC[C@H](N3CCCCCC3)[C@H]2OC/C=C\CCC(=O)O)cc1 ZINC000027844326 KK Annotated Anodyne Cc1ccc(C(=O)N2CC[C@@H]3C=CC=C[C@@H]3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027844373 KK Annotated Anodyne Cc1ccc(C(=O)N2CC[C@H]3C=CC=C[C@@H]3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027844381 KK Annotated Anodyne Cc1ccc(C(=O)N2CC[C@@H]3C=CC=C[C@H]3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027844388 KK Annotated Anodyne Cc1ccc(C(=O)N2CC[C@H]3C=CC=C[C@H]3C2)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000027844395 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc(-c3c(C4=CC(=O)NC4=O)c4ccccc4n3CCCSC(=N)N)ccc21 ZINC000027844414 KK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCCC(=O)Nc2ccccc2)(c2ccccc2)CC1=O ZINC000027844881 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCCC(=O)Nc2ccccc2)(c2ccccc2)CC1=O ZINC000027844889 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(/C(=C\c2cccnc2)C(=O)OC(C)(C)C)cc1-c1ccccc1C)C(=O)O ZINC000027845154 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C(=C/c2cccnc2)C(=O)OC(C)(C)C)cc1-c1ccccc1C)C(=O)O ZINC000027845161 KK Annotated Anodyne Cc1cccc(CN(CCNCCCO)Cc2cccc(CN(Cc3cccc(C(F)(F)F)c3)Cc3cccc(C(F)(F)F)c3)n2)c1 ZINC000027845339 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2OCc2cc(F)cc(F)c2)cc1-c1ccccc1C)C(=O)O ZINC000027845485 KK Annotated Anodyne Fc1c(F)c(C(F)(F)F)c(F)c(F)c1Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000027845995 KK Annotated Mild CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2[nH]ccc12 ZINC000027846412 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCN2 ZINC000027846525 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2ncccc12 ZINC000027846534 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(O)(c2ccccc2)c2ccccc2)cc1-c1ccccc1C)C(=O)O ZINC000027847089 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C(C)C)S2)OCO4)cc1)OCC ZINC000027848297 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CC(C)C)NC2=O)cc1Cl ZINC000027848816 KK Annotated Anodyne Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027849437 KK Annotated Reactive Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027849445 KK Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C(C)C)NC2=O)cc1Cl ZINC000027849509 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1ccnc2ccccc12 ZINC000027849929 KK Annotated Anodyne Cc1ccc(N)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000027850695 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C(=O)[C@H](CC)S2)cc1)OCC ZINC000027851662 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(N)c1Br ZINC000027851991 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(N)c1Cl ZINC000027851998 KK Annotated Anodyne CC(C)OP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)cc1)OC(C)C ZINC000027852476 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2cnccc12 ZINC000027852743 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc2c1CCCN2 ZINC000027852747 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=CC1=O ZINC000027853402 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@H]2CCCC=C2C)C=CC1=O ZINC000027853411 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](Cc3ccccc3)NC2=O)cc1Cl ZINC000027853483 KK Annotated Anodyne CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](CSc1ccc2ccccc2c1)NC(=O)c1cccc(O)c1Cl ZINC000027853648 KK Annotated Anodyne Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@H](C)C6=O)c(O)cc(O)c3c(O)c2c(=O)c1C ZINC000027853669 KK Annotated Bother Cc1c(N)cccc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000027853732 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C[C@@H](c3ccccc3)NC2=O)cc1Cl ZINC000027854261 KK Annotated Anodyne Cc1c(N)cc(N)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000027855621 KK Annotated Anodyne Cc1ccc(O)cc1C(=O)N[C@@H](CSc1ccc2ccccc2c1)[C@H](O)Cc1ccccc1C(=O)NC(C)(C)C ZINC000027855650 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000027856637 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000027856643 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000027856649 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000027856656 KK Annotated Anodyne CCOC(=O)CCCC/C=C(\c1ccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027856738 KK Annotated Anodyne CCOC(=O)CCCC/C=C(\c1ccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027856744 KK Annotated Anodyne Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027856859 KK Annotated Reactive Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027856867 KK Annotated Reactive CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)[C@H](c3ccccc3)S2)cc1)OCC ZINC000027858127 KK Annotated Anodyne CC(C)c1ccccc1SC1=C(O)O[C@@](CCCCC(=O)NCc2ccccc2)(c2ccccc2)CC1=O ZINC000027858606 KK Annotated Mild CC(C)c1ccccc1SC1=C(O)O[C@](CCCCC(=O)NCc2ccccc2)(c2ccccc2)CC1=O ZINC000027858613 KK Annotated Mild C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2C3CC4CC(C3)CC2C4)CCCCC1 ZINC000027859565 KK Annotated Bother CCCCOP(=O)(Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1)OCCCC ZINC000027859580 KK Annotated Anodyne CCCCOP(=O)(Cc1ccc(NC(=O)[C@H]2SCC(=O)c3cc(C4CCCCC4)ccc32)cc1)OCCCC ZINC000027859587 KK Annotated Anodyne O=C(O)C1CCN(c2c([N+](=O)[O-])ccc(F)c2CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)CC1 ZINC000027859628 KK Annotated Mild COc1cc(Cc2c(-c3ccc(NC(=O)CN)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1 ZINC000027860701 KK Annotated Anodyne CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027860706 KK Annotated Mild CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000027860709 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](Cc3ccccc3)NC2=O)cc1Cl ZINC000027860894 KK Annotated Anodyne Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCO2 ZINC000027860988 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000027861612 KK Annotated Anodyne CC(=O)OCc1cc2c(C)cc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000027861619 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2c(c1)N(CCCN1CCC(C3CCCCC3)CC1)c1ccccc1S2 ZINC000027861902 KK Annotated Anodyne CC(C)(C)c1cc2c(C(=O)O)c(c1)CO[C@H](COc1ccccc1)COc1ccccc1OCCOCCOCCOC2 ZINC000027861925 KK Annotated Anodyne CC(C)(C)c1cc2c(C(=O)O)c(c1)CO[C@@H](COc1ccccc1)COc1ccccc1OCCOCCOCCOC2 ZINC000027861932 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1ccc(CNc2nc(C(F)(F)F)nc3c2CCCC3)cc1)C(F)(F)F ZINC000027862306 KK Annotated Anodyne Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCOCCO2 ZINC000027862488 KK Annotated Anodyne CC(C)(C)CC(C)(C)c1ccc2c(c1)OCCOCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCOCCO2 ZINC000027862495 KK Annotated Anodyne CCOP(=O)(Cc1ccc(NC(=O)[C@@H]2SCC(=O)c3cc(-c4ccc(Cl)cc4)ccc32)cc1)OCC ZINC000027862614 KK Annotated Anodyne Cc1c2cc[n+](CC(=O)NCCCCCNCCOc3ccc(/C(=C(/Cl)c4ccccc4)c4ccccc4)cc3)cc2c(C)c2c1[nH]c1ccc(O)cc12 ZINC000027862796 KK Annotated Mild COc1cccc(CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)c1Oc1ccc(C(=O)O)cn1 ZINC000027863229 KK Annotated Anodyne COc1cc(Cc2c(-c3ccc(NC(=O)CN(C)C)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1 ZINC000027863242 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000027863450 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccc(C(=O)c4ccccc4)cc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1 ZINC000027863456 KK Annotated Anodyne COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000027863524 KK Annotated Reactive CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000027863654 KK Annotated Anodyne CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000027863661 KK Annotated Anodyne CC(C)(C)CC(C)(C)c1ccc2c(c1)OCCOCCOCc1cccc(c1C(=O)O)COCCOCCO2 ZINC000027863718 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)c3ccccc3NC2=O)cc1Cl ZINC000027864070 KK Annotated Anodyne CC(C)(C)CC(C)(C)c1ccc2c(c1)OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCO2 ZINC000027864323 KK Annotated Anodyne C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2C3CC4CC(C3)CC2C4)CCOCC1 ZINC000027865881 KK Annotated Bother COc1cccc(CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)c1Oc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-] ZINC000027866266 KK Annotated Bother O=C(O)c1cc2ccc1OCCCCCOc1ccc(cc1C(=O)O)Cc1ccc(c(C(=O)O)c1)OCCCCCOc1ccc(cc1C(=O)O)C2 ZINC000027866451 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NCc2cn(Cc3cccc4ccccc34)cn2)cc1-c1ccccc1)C(=O)O ZINC000027867384 KK Annotated Anodyne CC(C)(C)CC(C)(C)c1cc(Cc2ccccc2)c2c(c1)OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCO2 ZINC000027868300 KK Annotated Anodyne COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000027868372 KK Annotated Reactive CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc(OC)c(OC)cc3C(=O)[C@H](C(C)C)S2)cc1)OCC ZINC000027868386 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCC[C@@H]3NC2=O)cc1Cl ZINC000027868422 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H]3CCCC[C@H]3NC2=O)cc1Cl ZINC000027868429 KK Annotated Anodyne COc1cc2c(C(=O)O)c(c1)COCCOCCOc1c(C)cc(C(C)(C)CC(C)(C)C)cc1OCCOCCOC2 ZINC000027868813 KK Annotated Anodyne CCOC(=O)CCCCO/N=C(\c1ccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027872523 KK Annotated Mild CCOC(=O)CCCCO/N=C(\c1ccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000027872527 KK Annotated Mild COc1cc(Cc2c(-c3ccc(NC(=O)CN4CCS(=O)(=O)CC4)cc3)sc3cc(O)ccc23)ccc1CN1CCCC1 ZINC000027873904 KK Annotated Anodyne Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cccc(c1C(=O)O)COCCOCCO2 ZINC000027874745 KK Annotated Anodyne COCc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCO2 ZINC000027876798 KK Annotated Anodyne Cc1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(Br)cc(c1C(=O)O)COCCOCCO2 ZINC000027876800 KK Annotated Anodyne CC(C)(C)CC(C)(C)c1cc(CCc2ccccc2)c2c(c1)OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCO2 ZINC000027878299 KK Annotated Anodyne CCOC(=O)CCCC/C=C(/c1cccnc1)c1cccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027878359 KK Annotated Anodyne CCOC(=O)CCCC/C=C(/c1cccnc1)c1cccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000027878366 KK Annotated Anodyne CC(C)c1cc(C(C)(C)CC(C)(C)C)cc2c1OCCOCCOCc1cc(C(C)(C)C)cc(c1C(=O)O)COCCOCCO2 ZINC000027878870 KK Annotated Anodyne COc1ccc2c(c1)c1c3cnccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5cnccc5ccc43)CC2)CC1 ZINC000027882756 KK Annotated Bother CC(=C\C(=O)O)/C(=C/CCc1ccc(C23CC4CC(CC(C4)C2)C3)c(OCc2cc(F)cc(F)c2)c1)c1cccc(C(=O)O)c1 ZINC000027885916 KK Annotated Anodyne CC(C)=CC[C@@H](OC1CCOCC1)[C@@H](C)CCC[C@]1(C)OC/C(=C/COC2CCOCC2)CC[C@H]1OC1CCOCC1 ZINC000027886357 KK Annotated Anodyne CC(C)=CC[C@@H](OC1CCOCC1)[C@H](C)CCC[C@]1(C)OC/C(=C/COC2CCOCC2)CC[C@H]1OC1CCOCC1 ZINC000027886365 KK Annotated Anodyne CC(C)=CC[C@H](OC1CCOCC1)[C@@H](C)CCC[C@]1(C)OC/C(=C/COC2CCOCC2)CC[C@H]1OC1CCOCC1 ZINC000027886374 KK Annotated Anodyne CC(C)=CC[C@H](OC1CCOCC1)[C@H](C)CCC[C@]1(C)OC/C(=C/COC2CCOCC2)CC[C@H]1OC1CCOCC1 ZINC000027886381 KK Annotated Anodyne COc1ccc2c(c1)c1c3c[n+](C)ccc3ccc1n2CCN1CCC(C2CCN(CCn3c4ccc(OC)cc4c4c5c[n+](C)ccc5ccc43)CC2)CC1 ZINC000027886564 KK Annotated Bother Nc1sc2c(c1C(=O)c1ccc(I)c3ccccc13)CCN(Cc1ccccc1)C2 ZINC000027887916 KK Annotated Anodyne CC1(C)O[C@@H]2[C@@H](O1)[C@@H](Cc1ccccc1)N(CC#Cc1ccsc1)C(=O)N(CC#Cc1ccsc1)[C@@H]2Cc1ccccc1 ZINC000027888977 KK Annotated Mild CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Sc3cccc(C(=O)O)c3)nc(NC3CC3)c12 ZINC000027890369 KK Annotated Anodyne CN(C)C(=O)C[C@@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000027890697 KK Annotated Mild CN(C)C(=O)C[C@]1(O)CCC[C@@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000027890700 KK Annotated Mild CN(C)C(=O)C[C@@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000027890708 KK Annotated Mild CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000027890711 KK Annotated Mild CC1(C)O[C@@H]2[C@@H](O1)[C@@H](Cc1ccccc1)N(CC#Cc1cccs1)C(=O)N(CC#Cc1cccs1)[C@@H]2Cc1ccccc1 ZINC000027892050 KK Annotated Mild CC[C@@]12C=C(C(=O)OCCCCCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027892415 KK Annotated Anodyne CC[C@@]12C=C(C(=O)OCCCCCCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027892422 KK Annotated Anodyne CC(C)=CCC(=O)[C@@H](C)CCC[C@]1(C)OC/C(=C/COC2CCOCC2)CC[C@H]1OC1CCOCC1 ZINC000027893505 KK Annotated Anodyne CC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/COC2CCOCC2)CC[C@H]1OC1CCOCC1 ZINC000027893507 KK Annotated Anodyne c1coc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccco2)c1 ZINC000027895072 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCc2cccc3cnccc23)c1 ZINC000027897122 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2cnc3nc[nH]c3c2)c1 ZINC000027897201 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]c(C)nc3c2)c1 ZINC000027897867 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000027899010 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCCc2cnc3nc[nH]c3c2)c1 ZINC000027899642 KK Annotated Anodyne CCCCNC(=O)Nc1c(O)oc2cc(Oc3nc(N)c4c(CC)nn(-c5cc(Cl)cc(Cl)c5)c4n3)ccc2c1=O ZINC000027900515 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]c(C(F)(F)F)nc3c2)c1 ZINC000027901484 KK Annotated Anodyne CC[C@@]12C=C(C(=O)OCCCCCCCCCCCO[N+](=O)[O-])n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000027901548 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCCc2ccnc3nc(C)ccc23)c1 ZINC000027901648 KK Annotated Anodyne CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c(O)cc(=O)oc4c3)nc(NC3CC3)c12 ZINC000027902382 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000027903702 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccc1 ZINC000027978849 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(C#N)cc1 ZINC000027980017 KK Annotated Mild CCNS(=O)(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)cc1C ZINC000027980569 KK Annotated Mild CCNS(=O)(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)cc1C ZINC000027980574 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)N(C)C ZINC000027980578 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000027980841 KK Annotated Mild Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)o2)o1 ZINC000027980858 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2cccc3cnccc23)c1 ZINC000027981539 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]nnc3c2)c1 ZINC000027981551 KK 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)Cc1ccc(Cl)cc1Cl ZINC000027981879 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000027981931 KK Annotated Mild Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]cnc3c2)c1 ZINC000027982096 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]cnc3c2)c1 ZINC000027982102 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3ocnc3c2)c1 ZINC000027982512 KK Annotated Anodyne c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccn2)nc1 ZINC000027982553 KK Annotated Anodyne CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1O[C@@H]2C(=O)O ZINC000027982833 KK Annotated Anodyne CCCc1c(OCCCOc2ccc(-c3cscn3)c(OC)c2CC2CC2)ccc2c1O[C@H]2C(=O)O ZINC000027982839 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000027983614 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000027983626 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000027983632 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC000027983763 KK Annotated Mild CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c(O)c(C(C)=O)c(=O)oc4c3)nc(N)c12 ZINC000027983885 KK Annotated Anodyne CCOC(=O)c1c(O)oc2cc(Oc3nc(N)c4c(CC)nn(-c5cc(Cl)cc(Cl)c5)c4n3)ccc2c1=O ZINC000027983986 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000027984214 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000027986025 KK Annotated Mild Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3ncoc3c2)c1 ZINC000027986263 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3nsnc3c2)c1 ZINC000027986267 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1cccs1 ZINC000027986495 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccs1 ZINC000027987174 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccs1 ZINC000027987180 KK Annotated Mild Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3[nH]c(=O)[nH]c3c2F)c1 ZINC000027987328 KK Annotated Anodyne COc1cc(N(C)C(=O)Cc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1OC ZINC000027988439 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000027989199 KK Annotated Mild CCCC[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCN(C(N)=O)CC1 ZINC000027990160 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027991126 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027991132 KK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@H](CC(=O)NCCc2ccccc2Cl)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991406 KK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@H](CC(=O)NCCc2ccccc2Cl)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991415 KK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NCCc2ccccc2Cl)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991421 KK Annotated Anodyne CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NCCc2ccccc2Cl)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 ZINC000027991427 KK Annotated Anodyne CCCNC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027991444 KK Annotated Anodyne CCCNC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000027991449 KK Annotated Anodyne COc1cc(C(=O)NCc2cccc(-n3c(=O)c4c(C)onc4c4c(Cl)cccc43)c2)cc(OC)c1OC ZINC000027991959 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)Cn1ccnc1 ZINC000027992095 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)Cn1ccnc1 ZINC000027992103 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1cccnc1 ZINC000027993870 KK Annotated Mild CCNS(=O)(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000027994442 KK Annotated Mild O=C(c1cccc2c1CCCN2)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027994891 KK Annotated Anodyne O=C(c1cccc2c1CCCN2)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000027994896 KK Annotated Anodyne O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027995290 KK Annotated Anodyne O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027995296 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000027995781 KK Annotated Mild CCCC[C@@H](C(=O)O)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(CC(=O)NCc2ccc(Cl)c(Cl)c2)c1=O ZINC000027996696 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccc1 ZINC000027997316 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccc1 ZINC000027997320 KK Annotated Mild O=C(Cc1ccc(Br)cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027999183 KK Annotated Anodyne O=C(Cc1ccc(Br)cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 ZINC000027999188 KK Annotated Anodyne CCCC[C@@H](C(=O)O)n1c(-c2cccc(Oc3ccc(C(C)(C)C)cc3)c2)cn(CC(=O)NCCc2ccccc2Cl)c1=O ZINC000027999459 KK Annotated Anodyne CCCC[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1cc[n+]([O-])cc1 ZINC000027999496 KK Annotated Anodyne CCCC[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)Cc1cc[n+]([O-])cc1 ZINC000027999501 KK Annotated Anodyne C=C(C)[C@]12O[C@]3(/C=C/C=C/CCCCCCCCC)O[C@H]1[C@@H]1[C@H]4O[C@@]4(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@@]4(O)C(=O)C(C)=C[C@H]4[C@]1(O3)[C@@H](C)[C@@H]2OC(C)=O ZINC000276934999 KK Annotated Mild C=C(C)[C@]12O[C@]3(/C=C/C=C/CCCCCCCCCC)O[C@H]1[C@@H]1[C@@H]4O[C@]4(CCOC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@@]4(O)C(=O)C(C)=C[C@@H]4[C@]1(O3)[C@@H](C)[C@H]2OC(C)=O ZINC000276935435 KK Annotated Mild CC(C)(C(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1cccnc1 ZINC000028000971 KK Annotated Anodyne CC(C)(C(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1)c1cccnc1 ZINC000028000976 KK Annotated Anodyne O=C(c1cccc2ncccc12)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028002906 KK Annotated Anodyne O=C(c1cccc2ncccc12)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028002910 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(Sc2ccc(Cl)cc2)c1O ZINC000028003471 KK Annotated Clean CC(C)(C)NC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000028003845 KK Annotated Anodyne CC(C)(C)NC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CC2)CC1 ZINC000028003849 KK Annotated Anodyne CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@@](CC(=O)O)(C(=O)O)C1 ZINC000028003866 KK Annotated Anodyne O=C(c1cccc2cccnc12)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028004130 KK Annotated Anodyne O=C(c1cccc2cccnc12)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028004135 KK Annotated Anodyne CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@](CC(=O)O)(C(=O)O)C1 ZINC000028005004 KK Annotated Anodyne O=C(CC1CCN(C(=O)Oc2ccccc2)CC1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028005816 KK Annotated Anodyne O=C(CC1CCN(C(=O)Oc2ccccc2)CC1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000028005819 KK Annotated Anodyne CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@@H](CC)[C@@]13CC ZINC000028006947 KK Annotated Bother CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007098 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(Oc5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028007103 KK Annotated Anodyne CCN(CCCCOc1ccc(OC)cc1[C@@H]1Sc2ccccc2N1C(C)=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000028007374 KK Annotated Anodyne CCN(CCCCOc1ccc(OC)cc1[C@H]1Sc2ccccc2N1C(C)=O)CCc1cc(OC)c(OC)c(OC)c1 ZINC000028007378 KK Annotated Anodyne CC(=O)N1c2ccccc2S[C@@H]1c1cc([N+](=O)[O-])ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028008373 KK Annotated Bother CC(=O)N1c2ccccc2S[C@H]1c1cc([N+](=O)[O-])ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028008377 KK Annotated Bother CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2C(F)(F)F)c1O ZINC000028008948 KK Annotated Clean COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccncc2)nc1OCC#CCOC(=O)Nc1ccccc1 ZINC000028009688 KK Annotated Mild COc1ccc(OCCCCNCCc2cc(OC)c(OC)c(OC)c2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011457 KK Annotated Anodyne COc1ccc(OCCCCNCCc2cc(OC)c(OC)c(OC)c2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028011462 KK Annotated Anodyne CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@@H](C)[C@@]13CC ZINC000028012349 KK Annotated Bother N[C@@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012952 KK Annotated Anodyne N[C@H](Cc1ccccc1)C(=O)O[C@@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012957 KK Annotated Anodyne N[C@@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012962 KK Annotated Anodyne N[C@H](Cc1ccccc1)C(=O)O[C@H](CCCN1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1 ZINC000028012968 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCC[C@@H](C(=O)O)C2)c(C(F)(F)F)c1 ZINC000028013200 KK Annotated Anodyne O=C(O)[C@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000028013205 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2cccc(C(F)(F)F)c2)c1O ZINC000028013502 KK Annotated Clean CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028013628 KK Annotated Anodyne CC(C)(C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000028013788 KK Annotated Clean CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000028014010 KK Annotated Clean CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028014280 KK Annotated Anodyne CC(C)(Oc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1)C(=O)O ZINC000028014560 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(NC)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028014575 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(OC)c(OC)c2)c1O ZINC000028015163 KK Annotated Clean CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028015379 KK Annotated Anodyne CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028015385 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2cc(OC)ccc2OC)c1O ZINC000028015401 KK Annotated Clean CCn1nc(Cc2ccc(OC)c(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016219 KK Annotated Mild O=C(N[C@@H](Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028016283 KK Annotated Bother CCn1nc(Cc2ccc(C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028016359 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016364 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016648 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028016766 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000028016909 KK Annotated Mild CCCCN(CCCC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O ZINC000028017006 KK Annotated Clean CCn1nc(Cc2ccc(Cl)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017205 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl ZINC000028017485 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@@H]2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl ZINC000028017491 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@H]2C[C@H]2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl ZINC000028017497 KK Annotated Anodyne CCn1nc(Cc2ccc(OC3CC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017729 KK Annotated Anodyne CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028017739 KK Annotated Anodyne CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028017895 KK Annotated Anodyne Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCCN[C@@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000028018379 KK Annotated Anodyne Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCCN[C@H]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000028018384 KK Annotated Anodyne Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCCN[C@@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000028018389 KK Annotated Anodyne Brc1ccc(-c2[nH]c3ccc4ccccc4c3c2CCCN[C@H]2CC[C@H](c3ccccc3)C2)cc1 ZINC000028018394 KK Annotated Anodyne COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCNS(=O)(=O)c1cccs1 ZINC000028018989 KK Annotated Anodyne COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(C2CC2)nc1OCCCNS(=O)(=O)c1ccc(C)cc1 ZINC000028019052 KK Annotated Anodyne O=C(N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028019725 KK Annotated Anodyne Cc1noc(NS(=O)(=O)c2sccc2/C=C/c2cc3c(cc2COC2CCOCC2)OCO3)c1Br ZINC000028019866 KK Annotated Anodyne [O-][n+]1ccc(Nc2cc(CN3CCCC3)c(O)c(-c3ccc(Cl)c(Cl)c3)c2)c2ccc(Cl)cc21 ZINC000028019937 KK Annotated Clean CCn1nc(Cc2ccc(Oc3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028020493 KK Annotated Anodyne CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C5CCCCC5)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028020932 KK Annotated Anodyne CCn1nc(Cc2ccc(OC(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028021351 KK Annotated Anodyne CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028021454 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccc(C(F)(F)F)cc2)c1O ZINC000028021487 KK Annotated Clean CS(=O)(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1 ZINC000028021662 KK Annotated Anodyne CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028021870 KK Annotated Anodyne O=C(O)C1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021923 KK Annotated Anodyne O=C(O)C1CCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021928 KK Annotated Anodyne O=C(O)C1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021934 KK Annotated Anodyne O=C(O)C1CCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028021939 KK Annotated Anodyne CCn1nc(Cc2ccc(C(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022008 KK Annotated Anodyne CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028022013 KK Annotated Anodyne CC(=O)N1c2ccccc2S[C@@H]1c1cc(Cl)ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028022473 KK Annotated Anodyne CC(=O)N1c2ccccc2S[C@H]1c1cc(Cl)ccc1OCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000028022478 KK Annotated Anodyne COc1ccc(OCCCCN(CCc2cc(OC)c(OC)c(OC)c2)C2CC2)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022572 KK Annotated Anodyne COc1ccc(OCCCCN(CCc2cc(OC)c(OC)c(OC)c2)C2CC2)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022577 KK Annotated Anodyne COc1ccc(OCCCCN(CCc2cc(OC)c(OC)c(OC)c2)C(C)C)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022582 KK Annotated Anodyne COc1ccc(OCCCCN(CCc2cc(OC)c(OC)c(OC)c2)C(C)C)c([C@H]2Sc3ccccc3N2C(C)=O)c1 ZINC000028022588 KK Annotated Anodyne COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1 ZINC000028022773 KK Annotated Anodyne CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028023067 KK Annotated Anodyne CCn1nc(Cc2ccc(OC3CCC3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086017 KK Annotated Anodyne CCn1nc(Cc2ccc(OC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086186 KK Annotated Anodyne CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028086192 KK Annotated Anodyne O=C(Nc1cccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@@H]5C4)ncnc3o2)c1)c1ccc(F)cc1 ZINC000028086589 KK Annotated Anodyne O=C(Nc1cccc(-c2nc3c(N4C[C@@H]5[C@H](CCN5Cc5ccccc5)C4)ncnc3o2)c1)c1ccc(F)cc1 ZINC000028086595 KK Annotated Anodyne O=C(O)C[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000028086690 KK Annotated Anodyne CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028086869 KK Annotated Anodyne CCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028087201 KK Annotated Anodyne CCn1nc(Cc2ccc(OCC(F)(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028087288 KK Annotated Anodyne Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)OC(=O)OC2CCCCC2)nc1C(=O)O ZINC000028087373 KK Annotated Anodyne COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCC#CCOC(=O)Nc1ccccc1 ZINC000028089879 KK Annotated Mild CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)/N=C(\O)CCCCCCCN3C(=O)c1ccccc1 ZINC000028091370 KK Annotated Anodyne in-vivo O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1 ZINC000028091558 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1 ZINC000028091565 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1 ZINC000028091571 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1 ZINC000028091577 KK Annotated Anodyne Cn1cc(C[C@@H](NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)C(=O)O)c2cc(O)ccc21 ZINC000028091610 KK Annotated Anodyne Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1 ZINC000028091847 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028092094 KK Annotated Anodyne CC(=O)Nc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1 ZINC000028092291 KK Annotated Anodyne O=C(N[C@@H](Cc1c[nH]c2ccc(NS(=O)(=O)C(F)(F)F)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000028092297 KK Annotated Anodyne CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028092382 KK Annotated Anodyne CCn1nc(Cc2cccc3ccccc23)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028092389 KK Annotated Anodyne CCn1nc(Cc2ccc(-c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000028093198 KK Annotated Anodyne O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 ZINC000028094240 KK Annotated Anodyne CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028095088 KK Annotated Anodyne CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000028095638 KK Annotated Anodyne CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000028096648 KK Annotated Anodyne CCN(CC)CCCCCNCC(=O)N(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028096938 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(OC)c(C#N)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028097206 KK Annotated Mild CCOC(=O)[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000028098344 KK Annotated Anodyne CCOC(=O)[C@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000028098351 KK Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028098358 KK Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2Sc2ccc([C@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028098364 KK Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028098369 KK Annotated Anodyne CCOC(=O)C1CCN(c2ccccc2Sc2ccc([C@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1 ZINC000028098378 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCCCC2)c(C(F)(F)F)c1 ZINC000028098409 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCCCC2)c(C(F)(F)F)c1 ZINC000028098415 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCCCC2)c(C(F)(F)F)c1 ZINC000028098424 KK Annotated Anodyne O=C(NCCCN1CCCC1=O)[C@@H]1C[C@@H]1c1ccc(Sc2ccccc2N2CCCCC2)c(C(F)(F)F)c1 ZINC000028098432 KK Annotated Anodyne CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000028099268 KK Annotated Anodyne COc1ccc(CN(C)CCCOc2ccc(S(=O)(=O)c3c(C4CC4)cn4ccccc34)cc2)cc1OC ZINC000028099298 KK Annotated Anodyne O=C(OCC1(N(C(=O)c2ccccc2)c2ccccc2)CCN(CCc2cccs2)CC1)c1ccccc1 ZINC000028099386 KK Annotated Anodyne CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099422 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(F)(F)F)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028099428 KK Annotated Anodyne CCCOc1ccccc1CN(CC)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1OCCC ZINC000028099789 KK Annotated Anodyne CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc5ccccc45)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028100447 KK Annotated Anodyne COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc1OC ZINC000028101756 KK Annotated Anodyne CC(C)(c1nc(-c2ccccc2)c(C(=O)OCC2CC2)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000028102045 KK Annotated Anodyne COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)C(=O)O)cc1OC ZINC000028102412 KK Annotated Anodyne Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)NC2C3CC4CC(C3)CC2C4)nc1C(=O)O ZINC000028102644 KK Annotated Anodyne CC(C)=CCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028102811 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)O ZINC000028103251 KK Annotated Anodyne O=C1c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C(=O)N1CCCOCc1ccccc1)OCO4 ZINC000028104194 KK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2cccc(Cl)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104798 KK Annotated Anodyne O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2cccc(Cl)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028104805 KK Annotated Anodyne Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)OC(=O)NC2CCCCC2)nc1C(=O)O ZINC000028106026 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)Cc2ccccc2)cc1-c1ccccc1C)C(=O)O ZINC000028106180 KK Annotated Anodyne CC(C)OC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028106218 KK Annotated Anodyne CC(C)(C)OC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028106564 KK Annotated Anodyne CCCCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028107081 KK Annotated Anodyne CN(C)C(=O)Cc1cn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 ZINC000028107655 KK Annotated Anodyne CCCCCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028107722 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000028108894 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000028108905 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000028108911 KK Annotated Anodyne COC(=O)c1c(C)[nH]c2c1[C@H]1C(=C[C@@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr ZINC000028108938 KK Annotated Reactive COC(=O)c1c(C)[nH]c2c1[C@H]1C(=C[C@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr ZINC000028108946 KK Annotated Reactive COC(=O)c1c(C)[nH]c2c1[C@@H]1C(=C[C@@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr ZINC000028108953 KK Annotated Reactive COC(=O)c1c(C)[nH]c2c1[C@@H]1C(=C[C@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr ZINC000028108959 KK Annotated Reactive C=CCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028108966 KK Annotated Mild CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCc2ccccc2)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000028109005 KK Annotated Anodyne CCCOC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028110842 KK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2cccc(F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028111779 KK Annotated Anodyne O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2cccc(F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028111785 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@H](OC)[C@@H](OC)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028112870 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@@H](OC)[C@@H](OC)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028112877 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@H](OC)[C@H](OC)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028112886 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@@H](OC)[C@H](OC)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028112894 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)N[C@@H](c1ccccc1)[C@@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113315 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)N[C@H](c1ccccc1)[C@@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113321 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)N[C@@H](c1ccccc1)[C@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113328 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2c(c1O)N[C@H](c1ccccc1)[C@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113334 KK Annotated Anodyne CCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028115314 KK Annotated Anodyne CCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028115321 KK Annotated Anodyne CCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028115328 KK Annotated Anodyne CCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028115336 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028115502 KK Annotated Anodyne COc1ccc([C@H](NC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)C(=O)O)cc1OC ZINC000028115593 KK Annotated Anodyne CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCOc2ccccc2)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000028115632 KK Annotated Anodyne COc1c2cc3c(c1OC)CCN(C)[C@@H]3Cc1ccc(cc1)Oc1cc3c(c(OC)c1OC)CCN(C)[C@@H]3Cc1ccc(cc1)O2 ZINC000028115907 KK Annotated Anodyne CC(C)(c1nc(-c2ccccc2)c(C(=O)OCC(F)(F)F)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000028116030 KK Annotated Anodyne CC(C)COC(=O)c1sc(C(C)(C)c2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)nc1-c1ccccc1 ZINC000028116796 KK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028117222 KK Annotated Anodyne O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028117230 KK Annotated Anodyne O=C1O[C@@H](Cn2cc(COP(=O)(Oc3ccccc3)Oc3ccccc3)nn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1 ZINC000028118046 KK Annotated Anodyne O=C(OCCCOCc1ccccc1)c1cc2ccc3c(c2c(-c2ccc4c(c2)OCO4)c1OCc1ccccc1)OCO3 ZINC000028118190 KK Annotated Anodyne O=C(NC[C@@H](CCNC1CCCC1)c1ccc(-c2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118202 KK Annotated Anodyne O=C(NC[C@H](CCNC1CCCC1)c1ccc(-c2ccccc2Cl)cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000028118208 KK Annotated Anodyne O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCN(c4ccccc4)CC3)ccc1C2)c1ccc(Cl)s1 ZINC000028118846 KK Annotated Anodyne O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(/C=C/CN3CCN(c4ccccc4)CC3)ccc1C2)c1ccc(Cl)s1 ZINC000028118854 KK Annotated Anodyne O=C1c2c(-c3ccccc3)cc(N3CCCC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028119234 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(/C(O)=N/S(=O)(=O)c2c(Cl)sc(Cl)c2Br)CC1 ZINC000028119259 KK Annotated Mild CCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028119434 KK Annotated Anodyne CCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028119442 KK Annotated Anodyne CCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028119449 KK Annotated Anodyne CCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028119456 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@H](OC)[C@@H](O)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028119466 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@@H](OC)[C@@H](O)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028119475 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@H](OC)[C@H](O)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028119482 KK Annotated Anodyne COc1ccc([C@@H]2O[C@H](c3ccc(O[C@@H](OC)[C@H](O)c4ccc5c(c4)OCO5)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC ZINC000028119497 KK Annotated Anodyne COc1ccccc1CN(C)CCCN(C)CCCNCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000028120189 KK Annotated Bother O=C(c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12 ZINC000028121741 KK Annotated Bother CCc1c(Cc2cc(C)cc(C)c2)n(COC/C=C/c2ccc(OC(=O)c3ccccc3)cc2)c(=O)[nH]c1=O ZINC000028122199 KK Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@@H]2[C@@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028122913 KK Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@@H]2[C@@H](CCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028122918 KK Annotated Bother CCCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028123846 KK Annotated Anodyne CCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028123853 KK Annotated Anodyne CCCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028123861 KK Annotated Anodyne CCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028123871 KK Annotated Anodyne CCN(CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1)CC(c1ccccc1)c1ccccc1 ZINC000028124450 KK Annotated Anodyne Cc1c(-c2ccc(Oc3ccccc3)cc2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028124676 KK Annotated Anodyne CCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028126089 KK Annotated Anodyne CCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028126096 KK Annotated Anodyne CCCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028126102 KK Annotated Anodyne CCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000028126111 KK Annotated Anodyne CN(C[C@@H](CCN1CCC(N2C[C@@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028128272 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000028129094 KK Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)cc1 ZINC000028129121 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)(C)CC3)C2)C1 ZINC000028129243 KK Annotated Anodyne CN(C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C1)[C@H]1CCN(C2CCC(C)(C)CC2)C1 ZINC000028129249 KK Annotated Anodyne CN(C[C@@H](CCN1CCC(N2C[C@H](c3ccccc3)OC2=O)CC1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000028129328 KK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028129336 KK Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCC2OCCCO2)c(C)c1 ZINC000028129870 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](CO)CCCCNC(=O)OC2c3ccccc3-c3ccccc32)cc1 ZINC000028130588 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)c2nnn[nH]2)cc1 ZINC000028130735 KK Annotated Anodyne O=C1c2c(-c3ccccc3)cc(N3CCCCC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028131097 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(C(N)=O)CC3)ncn2)cc1C(F)(F)F ZINC000028133301 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCN(c4ccccn4)CC3)ncn2)cc1C(F)(F)F ZINC000028133320 KK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)OC(=O)N1C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028133645 KK Annotated Anodyne CC(C)COC(=O)N(O)CCC#Cc1ccc(OCCCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000028133727 KK Annotated Mild in-vivo CSc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@@H]3C(=O)NCCN(C(C)C)C(C)C)cc1 ZINC000028134636 KK Annotated Anodyne CSc1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)[C@H]3C(=O)NCCN(C(C)C)C(C)C)cc1 ZINC000028134642 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(N)=O)cc1 ZINC000028134954 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(N)=S)cc1 ZINC000028135040 KK Annotated Anodyne N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc3ccc4cccc5ccc2c3c45)cc1N1CCCC1 ZINC000028135111 KK Annotated Mild CC(C)N(CCNC(=O)[C@H]1c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028135534 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@@H]1c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028135541 KK Annotated Anodyne O=C1c2c(-c3ccccc3F)cc(N3CCC(N4CCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028135879 KK Annotated Mild O=C1c2c(-c3ccccc3Cl)cc(N3CCC(N4CCCC4)CC3)nc2OCCCN1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028135886 KK Annotated Anodyne Cc1ccccc1-c1nc(N2CCC(N3CCCC3)CC2)cc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2 ZINC000028136577 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000028137276 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000028137287 KK Annotated Anodyne CCN(CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(-c2ccccc2)cc1 ZINC000028137560 KK Annotated Anodyne CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCc3ccc4ccccc4c3)c2)CC1 ZINC000028217951 KK Annotated Anodyne CCC(=O)Oc1cc(OC(=O)CC)c2c(=O)c(OC(=O)CC)c(-c3ccc(OC(=O)CC)c(OC(=O)CC)c3)oc2c1 ZINC000028219034 KK Annotated Anodyne CCCC(=O)Oc1cc(OC(=O)CCC)c2c(=O)c(OC(=O)CCC)c(-c3ccc(OC(=O)CCC)c(OC(=O)CCC)c3)oc2c1 ZINC000028219082 KK Annotated Anodyne CCOc1cc(OCCN(CC)CC)c2c(=O)c(OCC)c(-c3ccc(OCC)c(OCC)c3)oc2c1 ZINC000028219197 KK Annotated Anodyne CCOc1cc(OCC)c2c(=O)c(OCCN(CC)CC)c(-c3ccc(OCC)c(OCC)c3)oc2c1 ZINC000028219203 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2ncc3c(OCCCCCC(=O)O)c(-c4ccc(Cl)cc4)sc3c12 ZINC000028219470 KK Annotated Anodyne COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)[C@H]2Oc3c(Cl)c(OC)cc(OC)c3C2=O)cc1 ZINC000028220632 KK Annotated Anodyne COc1ccc([C@@H](c2ccc(C(C)C)cc(=O)c2O)[C@H]2Oc3c(Cl)c(OC)cc(OC)c3C2=O)cc1 ZINC000028220636 KK Annotated Anodyne c1ccc2c(c1)CN(CCCCCCNCCSSCCNCCCCCCN1COc3ccccc3C1)CO2 ZINC000028221666 KK Annotated Reactive CCCCNC[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222540 KK Annotated Anodyne CCCCNC[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222545 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222844 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222849 KK Annotated Anodyne CCCCN(CCCC)C[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222851 KK Annotated Anodyne CCCCN(CCCC)C[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028222856 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2ncc3c(OCc4ccc(CC(=O)O)cc4)c(-c4ccc(Cl)cc4)sc3c12 ZINC000028223780 KK Annotated Anodyne CCOC(=O)COc1ccc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(O)c2=O)cc1 ZINC000028224093 KK Annotated Anodyne CC(C)c1ccc([C@H](c2ccc(OCc3ccccc3)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028224175 KK Annotated Anodyne CCCCNC[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028225254 KK Annotated Anodyne CCCCNC[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)cc(/C=C/c2ccc(C(F)(F)F)cc2)c1 ZINC000028225256 KK Annotated Anodyne COc1cc([C@H](c2ccc(C(C)C)cc(=O)c2O)c2ccc(C(C)C)cc(O)c2=O)cc(OC)c1OC ZINC000028225493 KK Annotated Anodyne CC(C)c1ccc([C@H](c2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028225722 KK Annotated Anodyne CC(C)c1ccc([C@@H](c2ccc(OCc3ccccc3)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028225726 KK Annotated Anodyne CC(C)c1ccc([C@@H](c2ccc(OCc3ccccc3)cc2)[C@H](c2ccc(OCc3ccccc3)cc2)c2ccc(C(C)C)cc(=O)c2O)c(=O)c(O)c1 ZINC000028225733 KK Annotated Anodyne O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028226474 KK Annotated Bother O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028226645 KK Annotated Anodyne O=C1c2cc3ccccc3cc2C(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028228721 KK Annotated Anodyne Clc1cc2nc(SCCCCn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)[nH]c2cc1Cl ZINC000028228757 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028228880 KK Annotated Bother O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=O)Nc1ccccc1-c1ccccc1 ZINC000028228908 KK Annotated Reactive O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000028229609 KK Annotated Reactive Clc1cc2nc(C3CCNCC3)n(CCCn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)c2cc1Cl ZINC000028229701 KK Annotated Anodyne CCCCCC/N=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC)OCO3 ZINC000028229710 KK Annotated Mild CCCCCC/N=C/C1=Cc2cc3c(cc2[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OC)OCO3 ZINC000028229714 KK Annotated Mild Clc1cc2nc(C3CCNCC3)n(CCCCCn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)c2cc1Cl ZINC000028229775 KK Annotated Anodyne Clc1cc2nc(C3CCNCC3)n(CCCCCCn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)c2cc1Cl ZINC000028229891 KK Annotated Anodyne O=C1c2cc(Cl)c([N+](=O)[O-])cc2C(=O)N1CCCCCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028230320 KK Annotated Bother CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=S)NNC(=O)Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)CCC[C@]21C ZINC000028231071 KK Annotated Reactive CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CNC(=S)NNC(=O)Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)CCC[C@]21C ZINC000028231076 KK Annotated Reactive CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)NNC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028231080 KK Annotated Reactive CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)NNC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 ZINC000028231084 KK Annotated Reactive O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccc(C(F)(F)F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028231315 KK Annotated Anodyne O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S@@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236017 KK Annotated Anodyne O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC[S@](=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236022 KK Annotated Anodyne C=Cc1ccc2c(c1)c(CCC(=O)N1CCC(O)(Cc3ccccc3)CC1)c(-c1ccc(Cl)cc1)n2C ZINC000028237509 KK Annotated Anodyne Cc1ccc(-c2c(CCC(=O)N3CCC(O)(Cc4ccccc4)CC3)c3cc(Cl)ccc3n2C)cn1 ZINC000028237572 KK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ncc21 ZINC000028238471 KK Annotated Anodyne Cc1cc(C(=O)Nc2ccc(C(=N)N(C)Cc3ccccc3)cc2F)n(-c2cc3ccccc3cc2F)n1 ZINC000028238501 KK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)cnc21 ZINC000028240394 KK Annotated Anodyne C1CCCCCC(NCCN(CCNC2CCCCCCCCCCC2)CCNC2CCC3(CC2)OCCO3)CCCCC1 ZINC000028240516 KK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(-c3ccco3)ccc21 ZINC000028240662 KK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Br)ccc21 ZINC000028241220 KK Annotated Anodyne CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)c3ccccc3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F ZINC000028241456 KK Annotated Anodyne CCCCCC[C@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1CCCCCC ZINC000028241463 KK Annotated Anodyne CCCCCC[C@H]1c2c(ccc(Cl)c2Cl)CCN1S(=O)(=O)NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1CCCCCC ZINC000028241470 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CC1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CC1 ZINC000028241524 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2cc(Cl)c(Cl)c(Cl)c2C1)N1CCc2cc(Cl)c(Cl)c(Cl)c2C1 ZINC000028242081 KK Annotated Anodyne Cn1c(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc21 ZINC000028242447 KK Annotated Anodyne CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2F)c2ccccc21 ZINC000028242860 KK Annotated Anodyne CN1C(=O)[C@H](Cc2cn(C)c3ccccc23)N(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2F)c2ccccc21 ZINC000028242865 KK Annotated Anodyne CN1C(=O)[C@@H](Cc2cn(C)c3ccccc23)N(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)c2ccccc21 ZINC000028242870 KK Annotated Anodyne CN1C(=O)[C@H](Cc2cn(C)c3ccccc23)N(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2F)c2ccccc21 ZINC000028242875 KK Annotated Anodyne CC(=O)c1ccc2c(c1)c(CCC(=O)N1CCC(O)(Cc3ccccc3)CC1)c(-c1ccc(Cl)cc1)n2C ZINC000028242921 KK Annotated Anodyne COc1ccc(CN(CCN(C)CCCCCCNC(=O)c2ccc(-c3c4ccc(=N)cc-4oc4cc(N)ccc34)c(C(=O)O)c2)c2ccccn2)cc1 ZINC000028243251 KK Annotated Bother C1CCCCCC(NCCN(CCNC2CCCCCCCCCCC2)CCNC2CCCCC2)CCCCC1 ZINC000028243347 KK Annotated Anodyne N#CCCNCCN(CCNC1CCCCCCCCCCC1)CCNC1CCCCCCCCCCC1 ZINC000028244350 KK Annotated Mild O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CCCC1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CCCC1 ZINC000028244726 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1Cc1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1Cc1ccccc1 ZINC000028244733 KK Annotated Anodyne CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCC4)CC3)cc21 ZINC000028245361 KK Annotated Bother CC(=O)N1CCc2ccc(N(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C3CCN(CCC4CCCCC4)CC3)cc21 ZINC000028246468 KK Annotated Bother COc1ccc(CN(CCN(C)CCCCCCNC(=O)CCCCCNc2ccc([N+](=O)[O-])c3nonc23)c2ccccn2)cc1 ZINC000028247308 KK Annotated Bother O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1c1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1c1ccccc1 ZINC000028248784 KK Annotated Anodyne NCCN(CCNC1CCCCCCCCCCCCCC1)CCNC1CCCCCCCCCCCCCC1 ZINC000028248902 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028249821 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028249830 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028249838 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028249875 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028249883 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028249893 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C1=CCC(C#N)(C#N)C(C#N)(C#N)[C@@]15CC)c(CC)c4CC)c(CC)c3CC ZINC000028251775 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(F)(F)F)cc3)n2)ccc1O ZINC000028251790 KK Annotated Mild NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028252326 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028252331 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028252336 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C1=CCC(C(=O)OC)=C(C(=O)OC)[C@@]15CC)c(CC)c4CC)c(CC)c3CC ZINC000028252986 KK Annotated Bother COc1cc(C(C)(C)C)c(O/C(O)=N/S(=O)(=O)NCC(c2ccccc2)c2ccccc2)c(C(C)(C)C)c1 ZINC000028253581 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(=O)c4ccccc4)cc3)n2)ccc1OCc1ccccc1 ZINC000028254332 KK Annotated Mild CN(C)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1O ZINC000028254343 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(OC)cc3)n2)ccc1OC ZINC000028254362 KK Annotated Mild CN(C)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Oc4ccccc4)cc3)n2)ccc1O ZINC000028254644 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(=O)c4ccccc4)cc3)n2)ccc1OC ZINC000028254922 KK Annotated Mild CCNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(=O)c4ccccc4)cc3)n2)ccc1OC ZINC000028254930 KK Annotated Mild N/C(=N/c1nc(Nc2ccc(O)c(CN3CCCC3)c2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 ZINC000028254968 KK Annotated Mild COc1ccc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)cc3)n2)cc1CN1CCCC1 ZINC000028254979 KK Annotated Mild C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)[C@@]1(C)C5=CCC(C#N)(C#N)C1(C#N)C#N)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000028254985 KK Annotated Mild CCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000028254997 KK Annotated Bother CCNCc1cc(Nc2cc(-c3ccccc3)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1OC ZINC000028255019 KK Annotated Mild CCN(C)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1O ZINC000028255075 KK Annotated Mild CCN(CC)Cc1cc(Nc2nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)nc3c2CCCC3)ccc1O ZINC000028255132 KK Annotated Mild N/C(=N/c1nc(Nc2ccc(O)c(CNCC3CCCCC3)c2)cc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000028255163 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Oc4ccccc4)cc3)n2)ccc1O ZINC000028255241 KK Annotated Mild CC(C)CNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1O ZINC000028255353 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(=O)c4ccccc4)cc3)n2)ccc1O ZINC000028255516 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(-c3ccccc3)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1O ZINC000028255604 KK Annotated Mild NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028255833 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028255839 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028255846 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1OC ZINC000028255941 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](CO)CC[C@H]12 ZINC000028256007 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](CO)CC[C@@H]12 ZINC000028256013 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](C=O)CC[C@H]12 ZINC000028256025 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](C=O)CC[C@@H]12 ZINC000028256031 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](C(=O)O)CC[C@H]12 ZINC000028256325 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](C(=O)O)CC[C@@H]12 ZINC000028256330 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028256362 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCCCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028256370 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCCCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028256377 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028256390 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028256396 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028256402 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1OCc1ccccc1 ZINC000028256434 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1OC(C)C ZINC000028256440 KK Annotated Mild CCN(CC)Cc1cccc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000028256592 KK Annotated Mild CCc1c(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)[C@@]1(C)C5=CCC(C#N)(C#N)C1(C#N)C#N)c(C)c4CC)c(C)c3CC ZINC000028256893 KK Annotated Mild CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CC)c(C)c3CC ZINC000028256900 KK Annotated Bother CCNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)ccc1O ZINC000028256918 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(CO1)[C@@H]2CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028257006 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@]3(CC[C@@H]12)CO3 ZINC000028257012 KK Annotated Anodyne C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)[C@@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000028257036 KK Annotated Bother C=C1CC[C@@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1 ZINC000028257043 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]2(C)[C@H]1CCC1=CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1 ZINC000028257048 KK Annotated Mild CCOc1ccc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)cc1CN(CC)CC ZINC000028257063 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](C(=O)O)CC[C@H]12 ZINC000028257375 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](C(=O)O)CC[C@@H]12 ZINC000028257381 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](CO)CC[C@H]12 ZINC000028257397 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@@H](CO)CC[C@@H]12 ZINC000028257400 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](C=O)CC[C@H]12 ZINC000028257533 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)[C@H](C=O)CC[C@@H]12 ZINC000028257539 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(CO1)[C@@H]2CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028257544 KK Annotated Anodyne COC(=O)[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(CO1)[C@@H]2CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028257550 KK Annotated Anodyne CCOC(=O)N1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(/N=C(\N)Nc4ccc(Cl)c(Cl)c4)n3)ccc2O)CC1 ZINC000028257592 KK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@]12Cc3c(OC(C)=O)ccc(OC(C)=O)c3C[C@@H]1O2 ZINC000028257622 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@@]12Cc3c(OC(C)=O)ccc(OC(C)=O)c3C[C@@H]1O2 ZINC000028257626 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(F)(F)F)cc3)n2)ccc1OC ZINC000028257726 KK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1 ZINC000028257735 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCC1=CCc2c(OC(C)=O)ccc(OC(C)=O)c2C1 ZINC000028257741 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)cc3)n2)cc(-c2ccccc2)c1O ZINC000028257746 KK Annotated Mild C=C1CC[C@@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028257763 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028257769 KK Annotated Mild CN(C)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(F)(F)F)cc3)n2)ccc1O ZINC000028257855 KK Annotated Mild NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028257893 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@H](NCCCCCCCN[C@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028257900 KK Annotated Anodyne NC(=O)c1ccc2[nH]cc(C3=CC[C@@H](NCCCCCCCN[C@@H]4CC=C(c5c[nH]c6ccc(C(N)=O)cc56)CC4)CC3)c2c1 ZINC000028257906 KK Annotated Anodyne CCNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(F)(F)F)cc3)n2)ccc1OC ZINC000028257995 KK Annotated Mild COc1ccc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)cc1CN(C)C ZINC000028258085 KK Annotated Mild CN(C)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(C(=O)c4ccccc4)cc3)n2)ccc1O ZINC000028259021 KK Annotated Mild CCOc1ccc(Nc2nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)nc3c2CCCC3)cc1CN(CC)CC ZINC000028259177 KK Annotated Mild O=C1CN(Cc2cncn2Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000028259549 KK Annotated Anodyne CN1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(/N=C(\N)Nc4ccc(Cl)c(Cl)c4)n3)ccc2O)CC1 ZINC000028259865 KK Annotated Mild CCNCc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Oc4ccccc4)cc3)n2)ccc1OC ZINC000028260040 KK Annotated Mild N/C(=N/c1nc(Nc2ccc(O)c(CN3CCCC3)c2)cc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1 ZINC000028260046 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Cl)cc3)n2)ccc1O ZINC000028260092 KK Annotated Mild Cc1c(-c2ccc3oc4ccccc4c3c2)c(=O)n(CCN(C)CCc2ccccn2)c(=O)n1Cc1c(F)cccc1F ZINC000028260157 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCN2C(=O)c3ccccc3C2=O)OCCCN2C(=O)c3ccccc3C2=O)c(C)c2c1OC(C)(C)CC2 ZINC000028260196 KK Annotated Anodyne CN1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(/N=C(\N)Nc4ccc(Oc5ccccc5)cc4)n3)ccc2O)CC1 ZINC000028260283 KK Annotated Mild O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2)CCN1c1cccc(Cl)c1 ZINC000028260554 KK Annotated Anodyne CCOc1ccc(Nc2cc(-c3ccccc3)nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)n2)cc1CN(CC)CC ZINC000028260935 KK Annotated Mild Cc1c(C)c(S(=O)(=O)N(CCCCCCN2C(=O)c3ccccc3C2=O)OCCCN2C(=O)c3ccccc3C2=O)c(C)c2c1OC(C)(C)CC2 ZINC000028260985 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCCCN2C(=O)c3ccccc3C2=O)OCCCN2C(=O)c3ccccc3C2=O)c(C)c2c1OC(C)(C)CC2 ZINC000028261286 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)N(CCCCN2C(=O)c3ccccc3C2=O)OCCCN2C(=O)c3ccccc3C2=O)c(C)c2c1OC(C)(C)CC2 ZINC000028261292 KK Annotated Anodyne O=C1CN(Cc2cncn2Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000028261978 KK Annotated Anodyne O=C1CN(Cc2cncn2Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)CCN1c1cccc(Cl)c1 ZINC000028262071 KK Annotated Anodyne O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)CCN1c1cccc(Cl)c1 ZINC000028262257 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(/N=C(\N)Nc3ccc(Oc4ccccc4)cc3)n2)ccc1OC ZINC000028262329 KK Annotated Mild CCNCc1cc(Nc2nc(/N=C(\N)Nc3ccc(Cl)c(Cl)c3)nc3c2CCCC3)ccc1OC ZINC000028262982 KK Annotated Mild CCn1cc([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccc(C(N)=O)cc21 ZINC000028264160 KK Annotated Mild CCn1cc([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccc(C(N)=O)cc21 ZINC000028264165 KK Annotated Mild CCn1cc([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccc(C(=O)N(C)C)cc21 ZINC000028265025 KK Annotated Mild CCn1cc([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccc(C(=O)N(C)C)cc21 ZINC000028265032 KK Annotated Mild CCn1cc([C@@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccc(C(=O)NC)cc21 ZINC000028265034 KK Annotated Mild CCn1cc([C@H](/C(O)=N/S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)c2ccc(C(=O)NC)cc21 ZINC000028265038 KK Annotated Mild Cc1ccc(S(=O)(=O)N(CC(C)C)[C@H](C=O)CCCCNC(=O)OC2c3ccccc3-c3ccccc32)cc1 ZINC000028330600 KK Annotated Mild CCN(CCCNC1CCN(CC(c2ccccc2)c2ccccc2)CC1)CCc1ccc(Cl)cc1 ZINC000028331031 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@H]1c2ccc(Oc3cccc(F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028331746 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@@H]1c2ccc(Oc3cccc(F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028331754 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000028332565 KK Annotated Bother C[C@@]1(C2CCCC2)Cc2cc(OCc3ccc(/C(O)=N/S(C)(=O)=O)cc3)c(Cl)c(Cl)c2C1=O ZINC000028333657 KK Annotated Mild C[C@]1(C2CCCC2)Cc2cc(OCc3ccc(/C(O)=N/S(C)(=O)=O)cc3)c(Cl)c(Cl)c2C1=O ZINC000028333665 KK Annotated Mild C[C@@]1(C2CCCC2)Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O ZINC000028336002 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCc3cccc(CSc4ccncc4)c3)c(Cl)c(Cl)c2C1=O ZINC000028336009 KK Annotated Anodyne COc1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028336846 KK Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)C1 ZINC000028337409 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2csc(NCCN3CCOCC3)n2)cc1C(F)(F)F ZINC000028337582 KK Annotated Anodyne CN(Cc1ccc(-c2cccs2)s1)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028337927 KK Annotated Anodyne C[C@@]1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nnn[nH]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028339267 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nnn[nH]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028339273 KK Annotated Anodyne CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)cs2)CC1 ZINC000028339288 KK Annotated Anodyne CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)CC1 ZINC000028339301 KK Annotated Anodyne COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000028340555 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@H]1c2ccc(Oc3ccc(C=O)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028340855 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@@H]1c2ccc(Oc3ccc(C=O)cc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028340862 KK Annotated Anodyne CCCCOc1ccc(/C=C/C(=O)N[C@@H](NC(=S)Nc2ccccn2)C(Cl)(Cl)Cl)cc1 ZINC000028341404 KK Annotated Anodyne CCCCOc1ccc(/C=C/C(=O)N[C@H](NC(=S)Nc2ccccn2)C(Cl)(Cl)Cl)cc1 ZINC000028341410 KK Annotated Anodyne CCc1nc2n(c1C(=O)N(CCC(F)(F)F)Cc1ccc(Cl)cc1)CCN2c1c(C)cc(C)cc1C ZINC000028341677 KK Annotated Anodyne N[C@@H](O)C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028342037 KK Annotated Anodyne N[C@H](O)C1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028342045 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@H]1c2ccc(Oc3cccc(C(F)(F)F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028343920 KK Annotated Anodyne CC(C)N(CCNC(=O)[C@@H]1c2ccc(Oc3cccc(C(F)(F)F)c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028343927 KK Annotated Anodyne O=C(CN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000028343973 KK Annotated Reactive CC(C)N(CCNC(=O)[C@H]1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028345208 KK Annotated Bother CC(C)N(CCNC(=O)[C@@H]1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2CCN1C(=O)OC(C)(C)C)C(C)C ZINC000028345214 KK Annotated Bother Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028345505 KK Annotated Anodyne Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028345511 KK Annotated Anodyne O=C(NCc1ccc(-c2cccs2)s1)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000028345697 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc(-c2cccs2)s1 ZINC000028346005 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc(-c2cccs2)s1 ZINC000028346011 KK Annotated Anodyne O=C1[C@H]2C[C@@H](OCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028347120 KK Annotated Anodyne CCCN1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028347237 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(CCO)CC3)c2)cc1C(F)(F)F ZINC000028347450 KK Annotated Anodyne CCOC(=O)C(=O)Nc1cc(C(F)(F)F)c(Oc2ccc3[nH]cc(C(C)C)c3c2)c(C(F)(F)F)c1 ZINC000028347747 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCN(C4CCCCC4)CC3)c2)cc1C(F)(F)F ZINC000028347997 KK Annotated Anodyne OCC1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028348158 KK Annotated Anodyne COC(=O)c1[nH]c2c(O)cc(NC(=O)c3cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]3)c(CCCl)c2c1C(=O)OC ZINC000028348331 KK Annotated Reactive CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(c4nnn[nH]4)CC3)ncn2)cc1C(F)(F)F ZINC000028348336 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ncn2)cc1C(F)(F)F ZINC000028348345 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)ncn2)cc1C(F)(F)F ZINC000028348348 KK Annotated Anodyne Cc1c(Br)cc(Br)c(NC(=O)CN2CCN(c3ccc(Br)cc3C#N)CC2)c1Br ZINC000028348432 KK Annotated Mild O=C(O)c1cnc(N(C(=O)c2ccc(OCc3ccccc3C(F)(F)F)cc2)C2CCCCC2)s1 ZINC000028349126 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2cccs2)s1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028349546 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2cccs2)s1)c1ccc(-c2ccccc2S(N)(=O)=O)cc1 ZINC000028349554 KK Annotated Anodyne CN(Cc1ccc(-c2cccs2)s1)C(=O)[C@H]1CCC[C@@H]1N(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1 ZINC000028349991 KK Annotated Anodyne CN(Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)C(=O)[C@H]1CCC[C@@H]1C(=O)NCc1ccc(-c2cccs2)s1 ZINC000028350146 KK Annotated Anodyne CCN(C(C)=O)[C@@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)C1 ZINC000028352163 KK Annotated Anodyne CCN(C(C)=O)[C@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)C1 ZINC000028352169 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CC[C@@H](O)[C@H](C(=O)O)C3)c2)cc1C(F)(F)F ZINC000028352400 KK Annotated Anodyne CCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352462 KK Annotated Anodyne CCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352468 KK Annotated Anodyne COCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352475 KK Annotated Anodyne COCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028352480 KK Annotated Anodyne CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)C1 ZINC000028352523 KK Annotated Anodyne CC(=O)N[C@H]1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)C1 ZINC000028352527 KK Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](C/C=C3/C(=O)OC[C@H]3OC(=O)/C=C/c3ccccc3)[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028352808 KK Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc3ccccc3c2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028352814 KK Annotated Reactive O=C(O)c1cnc(N(C(=O)c2ccc(Oc3cccc(OC(F)(F)F)c3)cc2)C2CCCCC2)s1 ZINC000028353353 KK Annotated Anodyne Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028353505 KK Annotated Reactive CS(=O)(=O)c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2C(=O)NCc2ccc(-c3cccs3)s2)cc1 ZINC000028354119 KK Annotated Anodyne O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)nc(SCCc1ccccn1)n2Cc1ccccc1 ZINC000028354167 KK Annotated Anodyne Cc1coc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028354592 KK Annotated Anodyne Cc1coc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000028354600 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028354608 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028354618 KK Annotated Anodyne COc1ccc(Br)c(CC2CCN(C3CCC4(CC3)OC(=O)c3c4ccc4c3OCO4)CC2)c1 ZINC000028354633 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc(-c2cccs2)s1 ZINC000028355127 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1ccc(-c2cccs2)s1 ZINC000028355136 KK Annotated Anodyne CC(C)CCN([C@H](CO)CCCC/N=C(\S)N(Cc1ccc(F)cc1)Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(N)cc1 ZINC000028355845 KK Annotated Mild CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(c4nnn[nH]4)CC3)c2)cc1C(F)(F)F ZINC000028355959 KK Annotated Anodyne CCCOc1ccc([C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028356165 KK Annotated Anodyne CCCOc1ccc([C@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)cc1N(CC(C)C)C(=O)C(C)(C)C ZINC000028356171 KK Annotated Anodyne CCOC(=O)CN1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)CC1 ZINC000028357008 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCN(c4ccccn4)CC3)c2)cc1C(F)(F)F ZINC000028357026 KK Annotated Anodyne OCCC1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1 ZINC000028357088 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3C[C@H](O)C[C@H]3C(=O)O)c2)cc1C(F)(F)F ZINC000028357325 KK Annotated Anodyne CO[C@@H]1C[C@@H](C(=S)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 ZINC000028357536 KK Annotated Anodyne Cc1c(-c2csc(N(C)c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028360014 KK Annotated Anodyne O=C1[C@@H]2C[C@H](OCc3cccc(-c4cccc(Br)c4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028360422 KK Annotated Anodyne CN(Cc1cccc(-c2ccc(Br)cc2)c1)[C@H]1C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N2C1 ZINC000028360537 KK Annotated Anodyne Cc1c(-c2csc(-c3ccc(F)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028360732 KK Annotated Anodyne O=C1[C@@H]2C[C@H](SCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028361231 KK Annotated Anodyne Cc1c(-c2csc(-c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028361414 KK Annotated Anodyne O=C1[C@@H]2C[C@@H](NCCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028361662 KK Annotated Anodyne N#Cc1cccc(C(=O)NCCCOc2cccc3ccc(NCc4ccc(-c5ccc(Cl)cc5)o4)nc23)c1 ZINC000028362074 KK Annotated Mild CC/C(=C(/CCCCCC(=O)N(C)CCCSCCCC(F)(F)C(F)(F)F)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028362147 KK Annotated Anodyne CC(C)(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(C(C)(C)C)cc2)cc1 ZINC000028362800 KK Annotated Anodyne NCCCCC/N=C1\Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028363095 KK Annotated Mild in-vivo NCCCCC/N=C1\Nc2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028363104 KK Annotated Mild in-vivo O=C1Nc2nc(=S)n(-c3ccc([N+](=O)[O-])cc3)c(O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028363485 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3ccc([N+](=O)[O-])cc3)c(O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028363491 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3ccccc3)c(O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028363872 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3ccccc3)c(O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028363878 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2C(F)(F)F)cn1 ZINC000028364321 KK Annotated Anodyne COC(=O)C[C@H]1c2ccccc2N/C(=N\CCCCCNC(=O)OC(C)(C)C)N1c1ccc(-c2ccccc2)cc1 ZINC000028364787 KK Annotated Mild O=C1[C@@H]2C[C@H](Oc3ccc(-c4ccc(Br)cc4)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028365408 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000028365667 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000028365673 KK Annotated Anodyne CN(C)S(=O)(=O)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028365751 KK Annotated Anodyne S=C(NCCCNCc1cc(Br)cc(Br)c1)Nc1ccc(I)cc1 ZINC000028365772 KK Annotated Anodyne FC(F)(F)c1ccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)cc1 ZINC000028365779 KK Annotated Mild O=C1OC2(CCC(N3CCC(Cc4cc(F)ccc4Br)CC3)CC2)c2ccc3c(c21)OCO3 ZINC000028365809 KK Annotated Anodyne O=C1[C@@H]2C[C@H](OCc3ccc(-c4ccc5cnccc5c4)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028365970 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3ccc(Cl)cc3)c(O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028366111 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3ccc(Cl)cc3)c(O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028366113 KK Annotated Anodyne O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028366284 KK Annotated Anodyne CCN(Cc1cccc(-c2ccc(C#N)cc2)c1)[C@H]1C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N2C1 ZINC000028366744 KK Annotated Mild O=C1[C@H]2C[C@@H](OCc3cccc(-c4ccc(Cl)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028367488 KK Annotated Anodyne O=C1[C@@H]2C[C@H](NCCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028367499 KK Annotated Anodyne CN(C)CCN(C)CC(=O)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028367640 KK Annotated Anodyne O=C1[C@@H]2C[C@H](OCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028367965 KK Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4Br)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028368076 KK Annotated Anodyne Cc1c(/C(=N/Nc2ccccc2)c2ccccc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 ZINC000028368118 KK Annotated Mild CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CC[C@@H]2CCCCO2)cc1 ZINC000028368191 KK Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CC[C@H]2CCCCO2)cc1 ZINC000028368196 KK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)CC[C@@H](C)c2ccccc2)ccc1OCc1ccccc1 ZINC000028368432 KK Annotated Anodyne COc1cc(CN(CCc2ccccn2)C(=O)CC[C@H](C)c2ccccc2)ccc1OCc1ccccc1 ZINC000028368439 KK Annotated Anodyne O=C1[C@@H]2C[C@@H](OCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000028368983 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3cccc([N+](=O)[O-])c3)c(O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028369332 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3cccc([N+](=O)[O-])c3)c(O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028369338 KK Annotated Anodyne CC(C)Cc1ccc(N2CC[C@@H](Oc3cccc4ccc(NCc5ccc(-c6cccc(C(F)(F)F)c6)o5)nc34)C2)cc1 ZINC000028369455 KK Annotated Anodyne CC(C)Cc1ccc(N2CC[C@H](Oc3cccc4ccc(NCc5ccc(-c6cccc(C(F)(F)F)c6)o5)nc34)C2)cc1 ZINC000028369463 KK Annotated Anodyne Clc1ccc(COc2nc(OCc3ccc(Cl)cc3)nc(OCc3ccc(Cl)cc3)n2)cc1 ZINC000028369760 KK Annotated Anodyne O=C(NCCCOc1cccc2ccc(NCc3ccc(-c4ccccc4Cl)o3)nc12)Nc1ccc2c(c1)OCO2 ZINC000028370334 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028370726 KK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028371157 KK Annotated Anodyne Cc1oc2c3c(ccc2c(=O)c1C)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000028371163 KK Annotated Anodyne Cc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000028371313 KK Annotated Reactive CC(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000028371566 KK Annotated Anodyne CC(C)C(=O)O[C@@H]1[C@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c2c(ccc3c(=O)cc(-c4ccccc4)oc23)OC1(C)C ZINC000028371573 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)[C@@H]1CCCCN1c1ccccc1 ZINC000028371654 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)[C@H]1CCCCN1c1ccccc1 ZINC000028371661 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028371873 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(-c4ccccc4)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028371881 KK Annotated Anodyne CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028371887 KK Annotated Anodyne CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028371894 KK Annotated Anodyne COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CC(=C(F)F)C[C@H]1C=N3)N=C[C@@H]1CC(=C(F)F)CN1C2=O ZINC000028373292 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1cc3c(cc1OC)C(=O)N1CC(=C(F)F)C[C@H]1C=N3)N=C[C@@H]1CC(=C(F)F)CN1C2=O ZINC000028373306 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3N)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000028373540 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3N)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000028373546 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3N)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000028373554 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(N)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000028373573 KK Annotated Anodyne Cc1c(-c2csc(Nc3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028374165 KK Annotated Anodyne CCn1c2ccccc2c2cc(C3([C@@H]4COC(=O)[C@@H]4[C@@H](O)c4cc(OC)c(OC)c(OC)c4)SCCCS3)ccc21 ZINC000028375089 KK Annotated Anodyne CCn1c2ccccc2c2cc(C3([C@H]4COC(=O)[C@@H]4[C@@H](O)c4cc(OC)c(OC)c(OC)c4)SCCCS3)ccc21 ZINC000028375096 KK Annotated Anodyne CCn1c2ccccc2c2cc(C3([C@@H]4COC(=O)[C@@H]4[C@H](O)c4cc(OC)c(OC)c(OC)c4)SCCCS3)ccc21 ZINC000028375102 KK Annotated Anodyne CCn1c2ccccc2c2cc(C3([C@H]4COC(=O)[C@@H]4[C@H](O)c4cc(OC)c(OC)c(OC)c4)SCCCS3)ccc21 ZINC000028375109 KK Annotated Anodyne COc1cc([C@@H]2c3cccc4cccc(c34)C3(SCCCS3)[C@H](CO)[C@@H]2CO)cc(OC)c1OC ZINC000028375127 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)OC[C@@H]2C2(c3ccc4ccccc4c3)SCCCS2)cc(OC)c1OC ZINC000028375595 KK Annotated Anodyne COc1cc([C@H](O)[C@H]2C(=O)OC[C@@H]2C2(c3ccc4ccccc4c3)SCCCS2)cc(OC)c1OC ZINC000028375602 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)OC[C@H]2C2(c3ccc4ccccc4c3)SCCCS2)cc(OC)c1OC ZINC000028375609 KK Annotated Anodyne COc1cc([C@H](O)[C@H]2C(=O)OC[C@H]2C2(c3ccc4ccccc4c3)SCCCS2)cc(OC)c1OC ZINC000028375617 KK Annotated Anodyne O=C(CCCN1CCC(N2CCCCC2)CC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028375735 KK Annotated Anodyne O=C1OC2(CCC(N3CCC(Cc4ccccc4C(F)(F)F)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028376125 KK Annotated Anodyne O=C(CCCN1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028376446 KK Annotated Anodyne Cc1cccc2c(Nc3cccc(OCCN(CCCl)CCCl)c3)c3cccc(C(=O)NCCN(C)C)c3nc12 ZINC000028376811 KK Annotated Reactive O=C1OC2(CCC(N3CCC(Cc4cc(F)ccc4Br)CC3)CC2)c2ccc3c(c21)OCCO3 ZINC000028376896 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3cccc(Cl)c3)c(O)c2[C@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028377710 KK Annotated Anodyne O=C1Nc2nc(=S)n(-c3cccc(Cl)c3)c(O)c2[C@@H](c2ccccc2Cl)N1/N=N/c1ccc(Cl)cc1 ZINC000028377726 KK Annotated Anodyne CCN(CC)C[C@@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028378279 KK Annotated Anodyne CCN(CC)C[C@H](O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028378286 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Sc2c(-c3cc(Cl)ccc3OC)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028378292 KK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1Sc1ccc(NS(=O)(=O)CC(F)(F)F)cc1 ZINC000028378347 KK Annotated Anodyne CCN(CC)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2CCN2C(=O)CCC2(C)C)cc1 ZINC000028378390 KK Annotated Anodyne N#Cc1cccc(C(=O)NCCCOc2cccc3ccc(NCc4ccc(-c5cccc(Cl)c5)o4)nc23)c1 ZINC000028378395 KK Annotated Mild COc1cc([C@H]2c3c(ccc4ccccc34)C3(SCCCS3)[C@H]3CCC(=O)[C@H]23)cc(OC)c1OC ZINC000028378498 KK Annotated Anodyne O=C(CCN1CCCC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028379075 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028379156 KK Annotated Anodyne CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028379414 KK Annotated Anodyne CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028379421 KK Annotated Anodyne O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028379765 KK Annotated Anodyne CN(C)CCN(C)CCC(=O)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028379775 KK Annotated Anodyne CN1CC[C@@H](N(C)CCCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)C1 ZINC000028379889 KK Annotated Anodyne CN1CC[C@H](N(C)CCCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)C1 ZINC000028379898 KK Annotated Anodyne CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028380108 KK Annotated Anodyne CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028380116 KK Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028380122 KK Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000028380130 KK Annotated Anodyne O=C(NNc1ccccc1)c1nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn2c1-c1ccccc1 ZINC000028380611 KK Annotated Reactive CC/C(=C(/CCCCCCN(C)CCCSCCCC(F)(F)C(F)(F)F)c1ccc(O)cc1)c1ccc(O)cc1 ZINC000028380774 KK Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](C/C=C3/C(=O)OC[C@H]3OC(=O)/C=C/c3ccc(OC)c(OC)c3)[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028380921 KK Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](C/C=C3/C(=O)OC[C@H]3OC(=O)/C=C/c3ccc4c(c3)OCO4)[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028380928 KK Annotated Anodyne COc1ccc2c(C(=O)N(CC(=O)O)C(=O)OCC(C)(C)C)c(Br)ccc2c1C(F)(F)F ZINC000028381805 KK Annotated Anodyne CN1CCN(CCC(=O)Nc2ccc(Sc3c(-c4cc(Cl)ccc4O)c4cc(C(F)(F)F)ccc4[nH]c3=O)cc2)CC1 ZINC000028382463 KK Annotated Anodyne O=C(CCN1CCC(N2CCCCC2)CC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028382483 KK Annotated Anodyne CCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](C/C=C3/C(=O)OC[C@H]3OC(=O)/C=C/c3ccc(OC)cc3)[C@]2(C)CC[C@H]1OC(=O)CC ZINC000028382563 KK Annotated Anodyne Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1 ZINC000028383220 KK Annotated Anodyne C[C@@H]1CCCN(CCCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)C1 ZINC000028383252 KK Annotated Anodyne C[C@H]1CCCN(CCCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)C1 ZINC000028383258 KK Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@@H](O)CN2CCC(C)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028383370 KK Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@H](O)CN2CCC(C)CC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028383376 KK Annotated Anodyne O=C(CCN1CCCC1)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028383403 KK Annotated Anodyne O=C(CCN1CCCCC1)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028383688 KK Annotated Anodyne O=C(CN1CCOCC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028384186 KK Annotated Anodyne CC[C@@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028384217 KK Annotated Anodyne CC[C@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028384222 KK Annotated Anodyne CCC[C@@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028384228 KK Annotated Anodyne CCC[C@]1(C)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028384233 KK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1Sc1ccc(NS(=O)(=O)CCCN2CCOCC2)cc1 ZINC000028385125 KK Annotated Anodyne CCN(CC)CCNC(=O)c1ccc(N(C)C(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000028385131 KK Annotated Anodyne O=C(NCCCNCc1cc(Br)cc(Br)c1O)Nc1ccc(C(F)(F)F)cc1 ZINC000028385820 KK Annotated Clean COc1ccc(Cl)cc1-c1c(SC[C@@H](O)CN2CCSCC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028385963 KK Annotated Anodyne COc1ccc(Cl)cc1-c1c(SC[C@H](O)CN2CCSCC2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028385969 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CC(=C(F)F)C[C@H]1C=N3)N=C[C@@H]1CC(=C(F)F)CN1C2=O ZINC000028386044 KK Annotated Anodyne Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F ZINC000028387054 KK Annotated Anodyne CN1CCN(CC(=O)Nc2ccc(Sc3c(-c4cc(Cl)ccc4O)c4cc(C(F)(F)F)ccc4[nH]c3=O)cc2)CC1 ZINC000028387058 KK Annotated Anodyne CN(C)C1CCN(CC(=O)Nc2ccc(Sc3c(-c4cc(Cl)ccc4O)c4cc(C(F)(F)F)ccc4[nH]c3=O)cc2)CC1 ZINC000028387063 KK Annotated Anodyne CC(=O)N1CCN(CCCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)CC1 ZINC000028387457 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)OCc1cn(-c2cc3nc(C(=O)O)c(O)nc3cc2C(F)(F)F)cn1 ZINC000028388100 KK Annotated Anodyne CCC1(CC)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028388446 KK Annotated Anodyne CCC1(CC)Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028388451 KK Annotated Anodyne O=C(NCc1ccncc1)[C@H]1CCCCN1[C@@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000028388475 KK Annotated Anodyne O=C(NCc1ccncc1)[C@H]1CCCCN1[C@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000028388481 KK Annotated Anodyne CN(C)CCCN(C)CCC(=O)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028388570 KK Annotated Anodyne COc1ccc(Cl)cc1-c1c(Sc2ccc(NS(=O)(=O)N(C)C)cc2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028388626 KK Annotated Anodyne O=C(CCCN1CCC(N2CCCCC2)CC1)CSc1c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc2[nH]c1=O ZINC000028389148 KK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@H](O)CN1CCSCC1 ZINC000028389154 KK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1SC[C@@H](O)CN1CCSCC1 ZINC000028389159 KK Annotated Anodyne CC1CCN(CCCC(=O)CSc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)CC1 ZINC000028389418 KK Annotated Anodyne O=C(CCN1CCOCC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028389545 KK Annotated Anodyne O=C(CCCN1CCCC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028389922 KK Annotated Anodyne Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1F ZINC000028389958 KK Annotated Anodyne COc1ccc(Cl)cc1-c1c(Sc2ccc(NS(=O)(=O)C(F)(F)F)cc2)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000028390002 KK Annotated Anodyne COc1cc(-c2c(SC)nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2N)cc(OC)c1OC ZINC000028390439 KK Annotated Anodyne O=C(NCCCOc1cccc2ccc(NCc3ccc(-c4ccccc4Cl)o3)nc12)c1cccc(Cl)c1 ZINC000028390537 KK Annotated Anodyne C[C@H](c1nc2ccccc2c(=O)n1N1CCN(C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccc(OCC2CC2)cc1OCC1CC1 ZINC000028391193 KK Annotated Anodyne C[C@@H](c1nc2ccccc2c(=O)n1N1CCN(C)CC1)N(C(=O)Nc1ccc(F)cc1)c1ccc(OCC2CC2)cc1OCC1CC1 ZINC000028391199 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028392200 KK Annotated Anodyne O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1Sc1ccc(NS(=O)(=O)C(F)(F)F)cc1 ZINC000028392234 KK Annotated Anodyne O=C(CN1CCCC1)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028392322 KK Annotated Anodyne CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(Cl)c3)c3cccc(Cl)c3)CC2)cc1 ZINC000028392345 KK Annotated Anodyne N#Cc1ccc(COCc2cncn2Cc2ccc(C#N)cc2-c2ccc3c(c2)OCO3)c(-c2ccc3c(c2)OCO3)c1 ZINC000028392408 KK Annotated Mild CCS(=O)(=O)Nc1ccc(Sc2c(-c3cc(Cl)ccc3O)c3cc(C(F)(F)F)ccc3[nH]c2=O)cc1 ZINC000028392615 KK Annotated Anodyne COc1ccc(CCn2c(C(=O)NNCCc3cccs3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000028393630 KK Annotated Reactive O=C(NCc1cccnc1)[C@H]1CCCCN1[C@@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000028394066 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CCCCN1[C@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000028394071 KK Annotated Anodyne CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccn3)cc2)cc1)C(=O)CCC1CCCC1 ZINC000028394522 KK Annotated Anodyne CN(C)CCN(Cc1ccc(-c2ccc(CNCCOc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1 ZINC000028394528 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CCCCN1[C@@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000028395958 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CCCCN1[C@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000028395965 KK Annotated Anodyne Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000028396346 KK Annotated Anodyne Cc1cc(-c2c(OCC[C@@H]3CC4CCN3CC4)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000028396579 KK Annotated Anodyne Cc1cc(-c2c(OCC[C@H]3CC4CCN3CC4)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000028396584 KK Annotated Anodyne O=C(NCCCn1ccnc1)[C@@H]1CCCCN1[C@H]1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21 ZINC000028396684 KK Annotated Anodyne O=C(NCCCn1ccnc1)[C@@H]1CCCCN1[C@@H]1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21 ZINC000028396689 KK Annotated Anodyne Cc1cc(-c2c(OCC[C@@H]3CCN3)c3cc(C(=O)Nc4cnsn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000028397406 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028397592 KK Annotated Anodyne CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3Cc2ccoc2)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000028397921 KK Annotated Anodyne CS(=O)(=O)N1CCC([C@H]2c3ncc(Br)cc3C=Cc3cc(Cl)cc(Br)c32)CC1 ZINC000028398203 KK Annotated Anodyne O=C(C[C@@H]1C(=O)Nc2ccc(Cl)cc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(-c2ncc[nH]2)cc1 ZINC000028456216 KK Annotated Anodyne CN(C)CCCOc1ccc([C@@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028456253 KK Annotated Anodyne CN(C)CCCOc1ccc([C@H](NC(=O)c2ccc(-c3cccc(NC(=O)c4ccc5cc(Br)ccc5c4)c3)o2)C(=O)N2CCNCC2)cc1 ZINC000028456256 KK Annotated Anodyne S=C(NCCCNCc1cc(Br)cc(Br)c1)Nc1cccc(Br)c1 ZINC000028456554 KK Annotated Anodyne FC(F)(F)c1cccc(N/C(S)=N/CCCNCc2cc(Br)cc(Br)c2)c1 ZINC000028456556 KK Annotated Mild CS(=O)(=O)N1CCC([C@@H]2c3ncc(Br)cc3C=Cc3cc(Cl)cc(Br)c32)CC1 ZINC000028456695 KK Annotated Anodyne COc1ccc(C[C@@H]2[C@H](OC(=O)NCc3ccccc3-c3ccccc3)[C@@H](O)CN2C(=O)OCC(C)C)cc1 ZINC000028456753 KK Annotated Anodyne COc1cc(C)c2ccc(O)c(C(=O)OCCOC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)c2c1 ZINC000028456973 KK Annotated Reactive CC(C)Cc1ccc([C@@](C)(CO)CCCCC(=O)CCCC[C@@](C)(CO)c2ccc(CC(C)C)cc2)cc1 ZINC000028457147 KK Annotated Anodyne CC(C)Cc1ccc([C@](C)(CO)CCCCC(=O)CCCC[C@@](C)(CO)c2ccc(CC(C)C)cc2)cc1 ZINC000028457150 KK Annotated Anodyne CC(C)Cc1ccc([C@@](C)(CO)CCCCC(=O)CCCC[C@](C)(CO)c2ccc(CC(C)C)cc2)cc1 ZINC000028457153 KK Annotated Anodyne COCCOc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(OCCOC)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1 ZINC000028457180 KK Annotated Anodyne COCCCS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028457360 KK Annotated Anodyne CN(c1ccccc1)c1cc[n+](Cc2cccc(-c3cccc(C[n+]4ccc(N(C)c5ccccc5)cc4)c3)c2)cc1 ZINC000028457537 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000028458132 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000028458135 KK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCCCC3)n21 ZINC000028458321 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@@H]3CNCC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028458641 KK Annotated Anodyne CCN(CC)CCN(C(=O)c1ccc(CN2CCCCC2)o1)[C@@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000028459325 KK Annotated Clean CCN(CC)CCN(C(=O)c1ccc(CN2CCCCC2)o1)[C@H](C(=O)NC1CCCCC1)c1ccc(N(C)C)cc1 ZINC000028459328 KK Annotated Clean COc1ccc(CNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000028459452 KK Annotated Reactive COc1ccc(CCn2c(C(=O)NN3CCC4(CC3)OCCO4)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000028459816 KK Annotated Anodyne COc1ccc(CCn2c(C(=O)NN[C@@H](C)C(=O)OC(C)(C)C)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000028459819 KK Annotated Reactive Nc1cc2c(=O)c(C(=O)O)cn(-c3ccc(-c4ccccc4)cc3)c2cc1N1CCN(c2nc3ccccc3s2)CC1 ZINC000028459885 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000028459968 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1 ZINC000028459971 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@@H]3CNC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460095 KK Annotated Anodyne Cc1ccc(C[C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)[nH]2)o1 ZINC000028460265 KK Annotated Anodyne Cc1ccc(C[C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccc(-c3ccccc3)[nH]2)o1 ZINC000028460269 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@@H]3CNC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460342 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@@H]3CNCC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460554 KK Annotated Anodyne CN(C)CCN(Cc1ccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)cc1)C(=O)CCC1CCCC1 ZINC000028460560 KK Annotated Anodyne CCOC(=O)c1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1Nc1ccc(O)c(CN(CC)CC)c1 ZINC000028460640 KK Annotated Clean COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460788 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028460791 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461373 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@H]3CNC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461375 KK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(I)cn21 ZINC000028461565 KK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(I)cn21 ZINC000028461568 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@H](CC[C@@H](C)NC(=O)[C@@H]3CCNC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461599 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@@H]3CCNC[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028461602 KK Annotated Anodyne Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000028462116 KK Annotated Anodyne CC(=O)OCCCCS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028462136 KK Annotated Anodyne COc1c([C@@H](O)CC(C)(C)C)ccc2c1C(=O)Oc1c(Cl)c(C)c(C)c(OC(=O)C3(C)C4CCC3CC4)c1O2 ZINC000028462243 KK Annotated Anodyne COc1ccc(CCn2c(C(=O)NNCCc3ccc(F)cc3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000028462621 KK Annotated Reactive Cc1cc([C@@]2(c3ccccc3)C(=O)Nc3ccccc32)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O ZINC000028462736 KK Annotated Anodyne Cc1cc([C@]2(c3ccccc3)C(=O)Nc3ccccc32)c(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O ZINC000028462740 KK Annotated Anodyne COc1ccc(CCn2c(C(=O)NNCCc3ccc(O)cc3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000028462878 KK Annotated Reactive COc1ccc(CCNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000028462882 KK Annotated Reactive C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)CCCCO)n21 ZINC000028462937 KK Annotated Anodyne CCOC(=O)CCCCCCCCN(C)C(=O)c1cccc(COc2cc(O)c(C(C)=O)cc2CC)n1 ZINC000028462957 KK Annotated Anodyne CCc1c(C)c(Cl)c2c(c1OC(=O)C1(C)C3CCC1CC3)Oc1ccc([C@@H](O)CC(C)(C)C)c(OC)c1C(=O)O2 ZINC000028463306 KK Annotated Anodyne COc1ccc(N2N=C(Sc3ccc(Cl)cc3)C[C@@H](CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000028463406 KK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21 ZINC000028463997 KK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(Br)n21 ZINC000028464015 KK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(Br)n21 ZINC000028464020 KK Annotated Anodyne COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1c(Cl)c(C)c(C)c(OC(=O)C3(C)C4CCC3CC4)c1O2 ZINC000028464161 KK Annotated Anodyne CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)S(=O)(=O)/C=C/c1ccccc1 ZINC000028464223 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@H](O)c1ccc2ccc(OCn3cnnn3)c(Br)c2c1 ZINC000028464325 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@H](O)c1ccc2ccc(OCn3cnnn3)c(Br)c2c1 ZINC000028464328 KK Annotated Anodyne C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(Br)cn21 ZINC000028464354 KK Annotated Anodyne C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nc(Br)cn21 ZINC000028464359 KK Annotated Anodyne CC(=O)OCCCS(=O)(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000028464364 KK Annotated Anodyne COc1c([C@@H](O)CC(C)C)ccc2c1C(=O)Oc1c(Cl)c(C)c(Br)c(OC(=O)C3(C)C4CCC3CC4)c1O2 ZINC000028464756 KK Annotated Anodyne CC(C)N1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3n2Cc2cc(-c3cc(Cl)cs3)on2)CC1 ZINC000028465576 KK Annotated Bother COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3c(OC)cccc3OC)cc2)C(=O)C2CCCCC2)c1 ZINC000028465776 KK Annotated Anodyne CN(C)c1ccc([C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)N=C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000028466178 KK Annotated Anodyne COc1ccc([C@]2(O)Sc3ccccc3-n3c(CNCCc4ccc(OC)c(OC)c4)ccc32)cc1 ZINC000028466204 KK Annotated Clean O=C(O)CCCc1ccc(-c2nc3cc4ccccc4cc3nc2-c2ccc(CCCC(=O)O)s2)s1 ZINC000028466213 KK Annotated Bother O=C(O)C[C@@H](c1ccc(-c2ccccc2)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028467569 KK Annotated Anodyne O=C(O)C[C@H](c1ccc(-c2ccccc2)cc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21 ZINC000028467574 KK Annotated Anodyne CN(C)c1ccc([C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3)N=C2c2ccc(Cl)c(Cl)c2)cc1 ZINC000028467864 KK Annotated Anodyne COc1c([C@@H](O)CC(C)(C)C)ccc2c1C(=O)Oc1c(Cl)c(C)c(Br)c(OC(=O)C3(C)C4CCC3CC4)c1O2 ZINC000028468071 KK Annotated Anodyne CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cn2)cc1)C(=O)CCC1CCCC1 ZINC000028468713 KK Annotated Anodyne CN(C)[C@@H]1CN[C@@H](C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)C1 ZINC000028469345 KK Annotated Anodyne CN(C)[C@H]1CN[C@@H](C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)C1 ZINC000028469349 KK Annotated Anodyne CN(C)[C@@H]1CN[C@H](C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)C1 ZINC000028469353 KK Annotated Anodyne CN(C)[C@H]1CN[C@H](C(=O)Cn2c(-c3ccc(Cl)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)C1 ZINC000028469355 KK Annotated Anodyne CCCCCCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000028469628 KK Annotated Anodyne CC(C)c1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1/C=N/OCc1ccc(C(F)(F)F)cc1 ZINC000028470034 KK Annotated Mild Cc1c(CO/N=C/c2c(-c3ccccc3)nn(-c3ccccc3)c2Oc2ccc(Cl)cc2)cccc1-c1ccccc1 ZINC000028470038 KK Annotated Mild C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]4(C)C3=CC[C@]12C ZINC000028470627 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]4(C)C3=CC[C@]12C ZINC000028470631 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]4(C)C3=CC[C@]12C ZINC000028470635 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]4(C)C3=CC[C@]12C ZINC000028470639 KK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/c3cccc(C(F)(F)F)c3)cc2)C(=O)C(C)C)c1 ZINC000028470888 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccnc3cc(Cl)ccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028471099 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccnc3cc(Cl)ccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028471103 KK Annotated Anodyne N#CN/C(=N/c1cc[n+](COC(=O)OCCCCCCCCCN)cc1)NCCCCCCOc1ccc(Cl)cc1 ZINC000028471590 KK Annotated Mild CCN(CC)C1CCN(C(=O)Cn2c(-c3ccc(OC)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CC1 ZINC000028471645 KK Annotated Anodyne N[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000028471748 KK Annotated Anodyne COc1ccc(-c2ccc(O[C@@H]3C[C@@H](C(=O)CC4(C(=O)O)CC4)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)C3)cc2)cc1 ZINC000028471765 KK Annotated Anodyne COc1ccc(-c2ccc(O[C@H]3C[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C4CCCCC4)C(C)C)[C@H](C(=O)CC4(C(=O)O)CC4)C3)cc2)cc1 ZINC000028471769 KK Annotated Anodyne CCN(CC)C[C@@H]1CN(C(=O)Cn2c(-c3ccc(OC)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CCO1 ZINC000028471985 KK Annotated Anodyne CCN(CC)C[C@H]1CN(C(=O)Cn2c(-c3ccc(OC)cc3)c(C3CCCCC3)c3ccc(C(=O)O)cc32)CCO1 ZINC000028471989 KK Annotated Anodyne Cc1ccc(-c2cn(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](N)c3ccccc3)c2=O)c(Cl)c1 ZINC000028472874 KK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)C2CCCCC2)c1 ZINC000028473645 KK Annotated Anodyne COC(=O)C1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@@H]3CC[C@H]2C(C)(C)C1=O ZINC000028473732 KK Annotated Anodyne COC(=O)C1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@@H]3CC[C@@H]2C(C)(C)C1=O ZINC000028473735 KK Annotated Anodyne COC(=O)C1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@H]3CC[C@H]2C(C)(C)C1=O ZINC000028473738 KK Annotated Anodyne COC(=O)C1=C[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@]4(C)[C@H]3CC[C@@H]2C(C)(C)C1=O ZINC000028473741 KK Annotated Anodyne COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)C(=O)C2CCCCC2)c1 ZINC000028473769 KK Annotated Anodyne Cc1c(Oc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12 ZINC000028473828 KK Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccccc3)cc21 ZINC000028473863 KK Annotated Anodyne O=C(O)/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccc(Br)cc1 ZINC000028474111 KK Annotated Anodyne O=C1N(CCc2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000028474256 KK Annotated Anodyne O=C1N(Cc2ccccc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000028474479 KK Annotated Anodyne COc1cc2cc(C(=O)Nc3cc(OCc4ccccc4)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC ZINC000028474712 KK Annotated Reactive O=C1N(CC[C@H](CCOc2ccc(-c3ccc(Cl)cc3)cc2)c2ccccc2)CCN1c1ccncc1 ZINC000028474761 KK Annotated Anodyne O=C1N(CC[C@@H](CCOc2ccc(-c3ccc(Cl)cc3)cc2)c2ccccc2)CCN1c1ccncc1 ZINC000028474763 KK Annotated Anodyne COc1ccc2cc3[n+](cc2c1OCCCOc1c(OC)ccc2cc4[n+](cc12)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028475126 KK Annotated Anodyne in-vivo COc1ccc2cc3[n+](cc2c1OCCCCOc1c(OC)ccc2cc4[n+](cc12)CCc1cc2c(cc1-4)OCO2)CCc1cc2c(cc1-3)OCO2 ZINC000028475129 KK Annotated Anodyne in-vivo CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475154 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccc(-c3ccccc3)c2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475158 KK Annotated Anodyne Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(CCc4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)cc4)cc3)c2c1 ZINC000028475235 KK Annotated Anodyne in-vivo O=C1N(CC[C@H](CCOc2ccc(-c3ccc(Cl)cc3)cc2)C(F)(F)F)CCN1c1ccncc1 ZINC000028475283 KK Annotated Anodyne O=C1N(CC[C@@H](CCOc2ccc(-c3ccc(Cl)cc3)cc2)C(F)(F)F)CCN1c1ccncc1 ZINC000028475285 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCN(CCCCN(CCCN(CCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000028475379 KK Annotated Anodyne CC(=O)NCCCN(CCCN(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000028475382 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccnc3cc(C(F)(F)F)ccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475433 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccnc3cc(C(F)(F)F)ccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475437 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Sc2ccnc3cc(C(F)(F)F)ccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475440 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Sc2ccnc3cc(C(F)(F)F)ccc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475443 KK Annotated Anodyne O=C(CC1(CC(=O)c2ccc(F)cc2F)C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1F ZINC000028475465 KK Annotated Clean CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Sc2ccc(Br)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475493 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Sc2ccc(Br)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475497 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Sc2nc3ccccc3s2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475500 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Sc2nc3ccccc3s2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028475504 KK Annotated Anodyne Cc1ccc(CN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)CCN2CCN(c3ccncc3)C2=O)cc1 ZINC000028475995 KK Annotated Anodyne O=C1N(CCN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccc(Cl)cc2)CCN1c1ccncc1 ZINC000028476013 KK Annotated Anodyne O=C(CCC1CCCC1)N/C(=C\c1ccc(Oc2ccccc2I)cc1)C(=O)O ZINC000028476501 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccccc2-c2ccc(C(=O)O)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028476740 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccccc2-c2ccc(C(=O)O)cc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028476743 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccnc2-c2ccsc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028476746 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccnc2-c2ccsc2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028476750 KK Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028476766 KK Annotated Anodyne O=C(Cc1ccc(Br)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028476774 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C(Br)=C[C@]4(C)C3=CC[C@]12C ZINC000028476851 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)C(Br)=C[C@]4(C)C3=CC[C@]12C ZINC000028476853 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C(Br)=C[C@]4(C)C3=CC[C@]12C ZINC000028476856 KK Annotated Anodyne C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)C(=O)C(Br)=C[C@]4(C)C3=CC[C@]12C ZINC000028476859 KK Annotated Anodyne O=C1N(CCC2(CCOc3ccc(-c4ccc(Cl)cc4)cc3)CCCCC2)CCN1c1ccncc1 ZINC000028476888 KK Annotated Anodyne COc1cc2c(=O)n(CCN(Cc3ccccc3)C(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028477000 KK Annotated Bother COc1ccc2c(c1-c1ccc(C(C)(C)C)cc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028477006 KK Annotated Anodyne COc1ccc2c(c1SCc1ccccc1)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C ZINC000028477126 KK Annotated Anodyne CCOCCc1sc[n+](CCCCCCCCCCCC[n+]2csc(CCOCC)c2C)c1C ZINC000028477169 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2ccc(Cl)c3cccnc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477205 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2ccc(Cl)c3cccnc23)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477208 KK Annotated Anodyne CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@@H]1C[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477646 KK Annotated Bother CC(=O)N[C@H](C(=O)N[C@H](C(=O)[C@H]1C[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[C@H]1C(=O)CC1(C(=O)O)CC1)C(C)C)C1CCCCC1 ZINC000028477649 KK Annotated Bother COc1ccc(-c2ccccc2O[C@@H]2C[C@@H](C(=O)CC3(C(=O)O)CC3)[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)C2)cc1 ZINC000028477665 KK Annotated Anodyne COc1ccc(-c2ccccc2O[C@H]2C[C@H](C(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C3CCCCC3)C(C)C)[C@H](C(=O)CC3(C(=O)O)CC3)C2)cc1 ZINC000028477670 KK Annotated Anodyne Cn1cncc1CN1C[C@@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028478186 KK Annotated Mild Cn1cncc1CN1C[C@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028478189 KK Annotated Mild O=C(CCc1ccc(C(F)(F)F)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028520481 KK Annotated Anodyne CCOC(=O)Cc1c(CCCCCCCCCCCCc2sc[n+](Cc3ccccc3)c2CC(=O)OCC)sc[n+]1Cc1ccccc1 ZINC000028520554 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCCCC3)c2ncccc2c1 ZINC000028520592 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)NC23CCCCCC3)c2ncccc2c1 ZINC000028520594 KK Annotated Anodyne O=C1N(CCN(CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1 ZINC000028520647 KK Annotated Anodyne O=C(Cc1ccc(I)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028520701 KK Annotated Anodyne O=C1C(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000028520766 KK Annotated Clean N#C[C@@]1(c2ccc(Cc3c(O)n(-c4ccc(Cl)cc4)n(-c4ccc(Cl)cc4)c3=O)cc2)C=CC=CC1 ZINC000028521001 KK Annotated Mild N#C[C@]1(c2ccc(CC3C(=O)N(c4ccc(Cl)cc4)N(c4ccc(Cl)cc4)C3=O)cc2)C=CC=CC1 ZINC000028521003 KK Annotated Mild O=C1N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)C1(CCOCc1ccccc1)CCOCc1ccccc1 ZINC000028521051 KK Annotated Clean O=C1N(CC[C@H](CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1 ZINC000028521055 KK Annotated Anodyne O=C1N(CC[C@@H](CCOc2ccc(-c3ccc(Cl)cc3)cc2)Cc2ccccc2)CCN1c1ccncc1 ZINC000028521057 KK Annotated Anodyne COc1cc2c(=O)n(CCN(Cc3ccccc3)Cc3ccccc3)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028521099 KK Annotated Bother Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)n3Nc3ccccc3)n2Nc2ccccc2)cc1 ZINC000028521203 KK Annotated Anodyne COc1cc2c(=O)n(CCN(Cc3ccccc3)C(C)(C)C)c3c4cc5c(cc4ncc3c2cc1OC)OCO5 ZINC000028521230 KK Annotated Bother CC(=O)Oc1ccc(-c2c3c4cc(OC(C)=O)c(OC(C)=O)cc4oc(=O)c3n3ccc4cc(OC(C)=O)c(OC(C)=O)cc4c23)cc1OC(C)=O ZINC000028521447 KK Annotated Bother c1ccc(Nn2c(CCCCCCCCc3nnc(COc4ccccc4)n3Nc3ccccc3)nnc2COc2ccccc2)cc1 ZINC000028521793 KK Annotated Anodyne COc1cc2cc(C(=O)Nc3cc(NCc4ccccc4)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC ZINC000028521824 KK Annotated Reactive CCOC(=O)Cc1c(CCCCCCCCCCCCc2sc[n+](C)c2CC(=O)OCC)sc[n+]1C ZINC000028521835 KK Annotated Anodyne O=C(CCc1ccc(Cl)cc1)N/C(=C\c1ccc(Oc2ccccc2Br)cc1)C(=O)O ZINC000028522114 KK Annotated Anodyne COc1ccc(-c2c3c4cc5c(cc4oc(=O)c3n3ccc4cc(OC)c(OC)cc4c23)OCO5)cc1OC ZINC000028522312 KK Annotated Bother Oc1c(I)cc(/C=N/Oc2ccccc2C(F)(F)F)cc1I ZINC000028522345 KK Annotated Mild CCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C ZINC000028522351 KK Annotated Anodyne Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(N5CCOCC5)cc43)C[C@H]1c1ccccc1O2 ZINC000028522506 KK Annotated Anodyne COc1cc2c(cc1N1C[C@H](C)N(C)[C@H](C)C1)N(C(=O)c1ccc(-c3cccc(C)n3)c3ccccc13)CC2 ZINC000028522555 KK Annotated Anodyne CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCc3cccnc3)c21 ZINC000028522786 KK Annotated Bother CCC[C@@H](CNCCCCCCNC[C@@H](CCC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522890 KK Annotated Anodyne CCC[C@H](CNCCCCCCNC[C@@H](CCC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522891 KK Annotated Anodyne CCC[C@@H](CNCCCCCCNC[C@H](CCC)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028522892 KK Annotated Anodyne CCCN1[C@@H](C)CN(c2cc3c(cc2OC)CCN3C(=O)c2ccc(-c3cccc(C)n3)c3ccccc23)C[C@H]1C ZINC000028522916 KK Annotated Anodyne Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(-c5ccccc5)cc43)C[C@H]1c1ccccc1O2 ZINC000028522918 KK Annotated Anodyne CC(C)(C)c1ccc(CCNC[C@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522968 KK Annotated Anodyne CC(C)(C)c1ccc(CCNC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028522969 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cc(Cl)cc(Cl)c2)cc1 ZINC000028522984 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)c(C(F)(F)F)c2)cc1 ZINC000028522985 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccccc2C(F)(F)F)cc1 ZINC000028522986 KK Annotated Anodyne Oc1c(I)cc(/C=N/Oc2cc(Cl)cc(Cl)c2)cc1I ZINC000028523044 KK Annotated Mild COCn1c(Cl)c2c3c(cccc31)-c1cccc3c1OC[C@@]3(c1ccccc1)c1oc(C)nc1-c1nc(Cl)c-2o1 ZINC000028523075 KK Annotated Anodyne CCc1ccn2c(C3CCN(C[C@H]4CN([C@H](CC5CCC5)C(=O)O)C[C@@H]4c4cccc(F)c4)CC3)cnc2c1 ZINC000028523498 KK Annotated Anodyne CC(C)(C)c1ccc([C@@H](CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523546 KK Annotated Anodyne CC(C)(C)c1ccc([C@H](CNCCc2cc(Cl)cc(Cl)c2)N2CCN(C3CCCCC3)CC2)cc1 ZINC000028523547 KK Annotated Anodyne CC(C)C[C@@H](CNCCCCCCNC[C@@H](CC(C)C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523666 KK Annotated Anodyne CC(C)C[C@H](CNCCCCCCNC[C@@H](CC(C)C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523667 KK Annotated Anodyne CC(C)C[C@@H](CNCCCCCCNC[C@H](CC(C)C)CN1C(=O)c2ccccc2C1=O)CN1C(=O)c2ccccc2C1=O ZINC000028523668 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000028523680 KK Annotated Anodyne O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccc(-c5ccccc5)cn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028523720 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000028523768 KK Annotated Anodyne O=C(S[C@@H]1C[C@@H](COCc2cc(F)c(F)cc2F)N(C(=O)Oc2cccc3c2OCCO3)C1)c1ccccc1 ZINC000028523796 KK Annotated Anodyne Oc1c(I)cc(/C=N/Oc2cccc(C(F)(F)F)c2)cc1I ZINC000028523901 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1ccncc1 ZINC000028524062 KK Annotated Bother COc1cc(C(=O)O[C@H](C(=O)NCCCCCNC(=O)[C@@H](OC(=O)c2cc(OC)cc3c(C)cccc23)[C@]2(C)CO2)[C@]2(C)CO2)c2cccc(C)c2c1 ZINC000028524375 KK Annotated Anodyne CCOC(=O)c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028524377 KK Annotated Anodyne CN(C)C(=O)c1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cc1 ZINC000028524403 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028524412 KK Annotated Anodyne CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)CCCC[N+](CC)(CC)CC)c2)[C@H]1O ZINC000028524509 KK Annotated Bother COc1ccc([N+](=O)[O-])cc1CSc1nc2cc(NC(=O)NC(C)(C)C)ccc2n1Cc1cccnc1 ZINC000028524540 KK Annotated Bother COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(C)c(Cl)c2)cc1 ZINC000028524661 KK Annotated Anodyne Brc1ccc2c(c1)[C@H]1O[C@H](Cn3oc4ccc(CN5CCOCC5)cc43)C[C@H]1c1ccccc1O2 ZINC000028524793 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000028524928 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000028524930 KK Annotated Anodyne CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)OC)c21 ZINC000028525050 KK Annotated Bother CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCCCN(C)C)c21 ZINC000028525159 KK Annotated Bother O=C1CCN1c1ccc2on(C[C@@H]3C[C@H]4c5ccccc5Oc5ccc(Br)cc5[C@H]4O3)c2c1 ZINC000028525165 KK Annotated Anodyne CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)O)c21 ZINC000028525294 KK Annotated Bother COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(C(F)(F)F)c2F)cc1 ZINC000028525313 KK Annotated Anodyne CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCc3ccccn3)c21 ZINC000028525376 KK Annotated Bother CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCCc3ccncc3)c21 ZINC000028525377 KK Annotated Bother CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)cc(C(=O)NCCc3ccccn3)c21 ZINC000028525383 KK Annotated Bother COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3ccccc3c2)cc1 ZINC000028525496 KK Annotated Anodyne CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3C[C@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O2)cs1 ZINC000028525740 KK Annotated Anodyne CSc1nc(/C=C(\C)[C@@H]2C[C@@H]3C[C@@]3(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)CCC(=O)O2)cs1 ZINC000028525741 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028525849 KK Annotated Anodyne C[S@@](=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cc4cc(NC(=O)CC(C)(C)C)ccc4n3Cc3ccccc3F)c2)cc1 ZINC000028525944 KK Annotated Anodyne C[S@](=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cc4cc(NC(=O)CC(C)(C)C)ccc4n3Cc3ccccc3F)c2)cc1 ZINC000028525945 KK Annotated Anodyne CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCCCC[N+]34CCN(CC3)CC4)cc2)[C@H]1O ZINC000028526179 KK Annotated Bother CC(=O)Nc1ccc(NC(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccccc2F)cn1 ZINC000028526297 KK Annotated Anodyne CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3cc[n+](C)cc3)cc2)[C@H]1O ZINC000028526302 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028526307 KK Annotated Anodyne CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc3c(c2)[C@@]2(c4cccc(Br)c4N[C@@H]2O3)c2oc1nc2C=O ZINC000028526384 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000028526398 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000028526399 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000028526400 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000028526401 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C(C)C)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028526402 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C(C)C)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028526403 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C(C)C)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028526404 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)C(C)C)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028526405 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccc(C(N)=O)cc1)n2Cc1ccccc1F ZINC000028526480 KK Annotated Anodyne CCCOC(=O)/C1=C/[C@H]2[C@@H](C[C@H](OC(=O)/C=C/c3cn(C)cn3)[C@]3(C)C=C[C@@]1(OC)O3)C(C)=CC[C@@H]2C(C)C ZINC000028526627 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028526690 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000028526691 KK Annotated Anodyne CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000028526728 KK Annotated Reactive CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000028526730 KK Annotated Reactive CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000028526732 KK Annotated Reactive CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O ZINC000028526734 KK Annotated Reactive CCOC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O ZINC000028526748 KK Annotated Anodyne Cc1cccc(C)c1OCC(=O)N[C@H](Cc1cccc(Br)c1)[C@@H](O)C[C@@H](CC(C)C)S(=O)(=O)c1ccc(F)cc1 ZINC000028526811 KK Annotated Anodyne Clc1cccc(-n2nc(C3CCNCC3)cc2/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 ZINC000028526924 KK Annotated Anodyne COc1ccc(-c2cc(SC)n(-c3nc(Nc4ccccc4C)nc(Nc4ccccc4C)n3)n2)cc1OC ZINC000028527125 KK Annotated Anodyne Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CC(C)C)S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000028527224 KK Annotated Anodyne [N-]=[N+]=Nc1cccc(-c2ncn(CCCNC(=O)c3ccc(I)cc3)c2-c2ccncc2)c1 ZINC000028527247 KK Annotated Mild in-vivo CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1 ZINC000028527476 KK Annotated Anodyne O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1 ZINC000028527620 KK Annotated Anodyne CNc1ccc(S(=O)(=O)[C@@H](CC(C)C)C[C@@H](O)[C@H](Cc2cccc(Br)c2)NC(=O)COc2c(C)cccc2C)cc1 ZINC000028527677 KK Annotated Anodyne CC[C@@H](c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028527687 KK Annotated Anodyne CC[C@H](c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(Cl)cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028527689 KK Annotated Anodyne COc1ccc(-c2cc(SC)n(-c3nc(NCc4ccccc4)nc(NCc4ccccc4)n3)n2)cc1OC ZINC000028527851 KK Annotated Anodyne COc1ccc(-c2cc(SC)n(-c3nc(N4CCN(c5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)n3)n2)cc1OC ZINC000028527853 KK Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(C(F)(F)F)cc2S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000028528025 KK Annotated Anodyne Clc1ccc(-n2cncn2)c(Cc2nc3c(NCC[C@@H]4CCCCN4Cc4ccccc4)nccc3o2)c1 ZINC000028528031 KK Annotated Anodyne Clc1ccc(-n2cncn2)c(Cc2nc3c(NCC[C@H]4CCCCN4Cc4ccccc4)nccc3o2)c1 ZINC000028528032 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2[nH]c(C3CCCCCCCCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)c1 ZINC000028528036 KK Annotated Anodyne COc1cc(-c2cc(SC)n(-c3nc(Nc4ccccc4C)nc(Nc4ccccc4C)n3)n2)cc(OC)c1OC ZINC000028528063 KK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4ccc[nH]4)ccc32)cc1 ZINC000028528080 KK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4cc(C(F)(F)F)c[nH]4)ccc32)cc1 ZINC000028528081 KK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(C(F)(F)F)c3)c3cc(Oc4cc(Cl)c[nH]4)ccc32)cc1 ZINC000028528082 KK Annotated Anodyne CCN(CC)C(=S)/N=N\c1c(O)n(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc12 ZINC000028528136 KK Annotated Clean CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3ccc(-c4cc(C(F)(F)F)c[nH]4)cc3)c3cccnc32)cc1 ZINC000028528348 KK Annotated Anodyne CCN(Cc1ccc(C)cc1)C[C@@H](O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 ZINC000028528405 KK Annotated Anodyne CCN(Cc1ccc(C)cc1)C[C@H](O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21 ZINC000028528406 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028528408 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028528409 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028528410 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000028528411 KK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(Cl)ccc32)cc1 ZINC000028528484 KK Annotated Anodyne COc1ccccc1CN1CCN(c2nc(N3CCN(Cc4ccccc4OC)CC3)nc(-n3nc(-c4ccc(OC)c(OC)c4)cc3SC)n2)CC1 ZINC000028528567 KK Annotated Anodyne COc1ccc(-c2cc(SC)n(-c3nc(N4CCc5ccccc5C4)nc(N4CCc5ccccc5C4)n3)n2)cc1OC ZINC000028528568 KK Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(Cc2ccc(OC(F)(F)F)cc2S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000028528571 KK Annotated Anodyne C=C(c1ccc([C@H](C)NS(C)(=O)=O)cc1)c1ccc(OC(F)(F)F)cc1S(=O)(=O)c1ccccc1F ZINC000028528573 KK Annotated Anodyne O=C(N[C@H](Cc1cccc(Br)c1)[C@@H](O)C[C@@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000028528583 KK Annotated Anodyne C[C@H](NS(C)(=O)=O)c1ccc(S(=O)(=O)c2ccc(Cl)cc2Oc2ccc(Cl)cc2)cc1 ZINC000028528649 KK Annotated Anodyne COc1cc(-c2cc(SC)n(-c3nc(NCc4ccccc4)nc(NCc4ccccc4)n3)n2)cc(OC)c1OC ZINC000028528651 KK Annotated Anodyne COc1cc(-c2cc(SC)n(-c3nc(N4CCN(c5ccccc5)CC4)nc(N4CCN(c5ccccc5)CC4)n3)n2)cc(OC)c1OC ZINC000028528654 KK Annotated Anodyne COc1cc(-c2cc(SC)n(-c3nc(N4CCc5ccccc5C4)nc(N4CCc5ccccc5C4)n3)n2)cc(OC)c1OC ZINC000028528805 KK Annotated Anodyne CC(C)(C)c1ccc(-n2c(C(=O)O)c(Oc3cccc(-c4cc(C(F)(F)F)c[nH]4)c3)c3ccc(Cl)nc32)cc1 ZINC000028528833 KK Annotated Anodyne O=C(N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCCO1 ZINC000028528876 KK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)nc(SCc2ccc3c(c2)C(=O)c2ccccc2C3=O)[nH]c1=O ZINC000028529399 KK Annotated Clean COC(=O)c1coc([C@H](C)NC(=O)c2nc(-c3csc([C@@H](NC(=O)CC4=CCCCC4)C(C)C)n3)oc2C)n1 ZINC000028529729 KK Annotated Anodyne COc1cc(C(=O)NC[C@H]2CCC[C@H](n3c(=O)c4c(C)onc4c4c(Cl)cccc43)C2)cc(OC)c1OC ZINC000028529736 KK Annotated Anodyne N#Cc1cccc(-c2ccc(CCN(CC(=O)Nc3cc(Cl)cc(Cl)c3)C(=O)CCN3CCCC3)cc2)c1 ZINC000028529820 KK Annotated Mild COc1cc(C(=O)NC[C@@H]2CCC[C@H](n3c(=O)c4c(C)onc4c4c(Cl)cccc43)C2)cc(OC)c1OC ZINC000028529871 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2sc(C(=O)NCCNC(=O)c3cc(OC[C@@]4(c5ccc(Cl)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000028530638 KK Annotated Mild C=C(Br)C(=O)Nc1ccc2sc(C(=O)NCCNC(=O)c3cc(OC[C@]4(c5ccc(Cl)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000028530640 KK Annotated Mild CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccc(S(=O)(=O)NCCCCCC(=O)O)cc2S(=O)(=O)O)cc1 ZINC000028530801 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1[C@@H](OC(=O)[C@H](C)CC)CC(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000028536320 KK Annotated Mild in-vitro biogenic CN1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc(O)c(c2O4)O3)CCN1C ZINC000028538560 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(OC)c(O)c3c1[C@H](C2)N(C)CC3)O4 ZINC000028538588 KK Annotated Anodyne CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@H](O)C1=O ZINC000028539349 KK Annotated Mild in-vitro CCC[C@@H](C)/C=C(\C)[C@H](O)[C@H](C)/C=C/CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O[C@H]([C@H](C)C(=O)O)CC[C@@H]1C ZINC000028540747 KK Annotated Anodyne CO[C@H]1/C=C\C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000028540831 KK Annotated Anodyne in-vitro CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000028541318 KK Annotated Anodyne in-vitro O=S(=O)(Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1)N1CCC(NCc2ccccc2O)CC1 ZINC000028563063 KK Annotated Clean Cc1nnc(CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)n1Cc1ccc(C#N)cc1 ZINC000028564600 KK Annotated Mild N#Cc1ccc(Cn2cnnc2CN(C(=O)c2ccc3ccccc3n2)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000028564643 KK Annotated Mild Cc1ccc2nc(-c3ccc(/N=c4\oc5c(C)ncc(CO)c5cc4C(=O)Nc4ccccc4)c(-c4ccccc4)c3)sc2c1 ZINC000028564700 KK Annotated Anodyne COc1cc(C(=O)N(CCc2ccc(Br)cc2)Cc2nncn2Cc2ccc(C#N)cc2)nc2ccccc12 ZINC000028564780 KK Annotated Mild N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2cc3ccccc3s2)cc1 ZINC000028564788 KK Annotated Mild CC(C)C[C@H](Oc1cccc2c(C#N)cc(C(=O)c3ccccc3)n12)C(=O)N[C@@H](CC(=O)O)c1ccccc1 ZINC000028564971 KK Annotated Mild CC(C)C[C@H](Oc1cccc2c(C#N)cc(C(=O)c3ccccc3)n12)C(=O)N[C@H](CC(=O)O)c1ccccc1 ZINC000028564973 KK Annotated Mild CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OC)c2)c2cccnc21 ZINC000028565077 KK Annotated Anodyne CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccccc2OC(F)(F)F)sc2c1CCC(C)(C)C2 ZINC000028565191 KK Annotated Mild CC1(C)C=C(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC(C)(C)N1 ZINC000028565226 KK Annotated Anodyne CCOC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccccc2C(F)(F)F)sc2c1CCC(C)(C)C2 ZINC000028565373 KK Annotated Mild CC(C)(C)N1CC=C(c2cc(-c3ccc(F)cc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1 ZINC000028565430 KK Annotated Anodyne Cc1cc(S(=O)(=O)N(C)C)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000028566550 KK Annotated Anodyne CC(C)CC[N+](CCCCCCCCCCCC[N+](CCC(C)C)(CCC(C)C)CCC(C)C)(CCC(C)C)CCC(C)C ZINC000028566683 KK Annotated Bother O=C1[C@H](c2ccccc2)N(c2cccc(I)c2)C(=S)N1c1cccc(I)c1 ZINC000028566853 KK Annotated Anodyne O=C1[C@@H](c2ccccc2)N(c2cccc(I)c2)C(=S)N1c1cccc(I)c1 ZINC000028566855 KK Annotated Anodyne COCCOCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(C)(C)C)c2)c(C)c1 ZINC000028566984 KK Annotated Anodyne Cc1cc(OCCCNC(N)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000028567110 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCC1 ZINC000028567166 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCC1 ZINC000028567168 KK Annotated Anodyne N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2cc3ccccc3o2)cc1 ZINC000028567503 KK Annotated Mild N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2ccc3ccccc3c2)cc1 ZINC000028567505 KK Annotated Mild N#Cc1ccc(Cn2cnnc2CN(CCc2ccc(Br)cc2)C(=O)c2ccc3ccccc3n2)cc1 ZINC000028567507 KK Annotated Mild CCN(CC)CCCNc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000028567538 KK Annotated Anodyne CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)ccnc2C(C)C)c(-c2cccc(OC)c2)c2cccnc21 ZINC000028567587 KK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccccc1I)C=CC2=O ZINC000028567664 KK Annotated Mild CC(C)=CCC/C(C)=C/[C@H]1OC(=O)C[C@]12C[C@H](OC(=O)c1ccc(I)cc1)C=CC2=O ZINC000028567665 KK Annotated Mild CC(C)(C)OC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028567743 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028567744 KK Annotated Anodyne O=C(NCCCn1ccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028567855 KK Annotated Anodyne CC(=O)CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028567857 KK Annotated Anodyne CC(=O)CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028567858 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CCC1CCCCC1 ZINC000028567917 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CCC1CCCCC1 ZINC000028567918 KK Annotated Anodyne CC(=O)Nc1c(C(C)=O)c(=O)n(CC(C)C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000028568046 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(Cc2ccccc2)CCCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)C1 ZINC000028568316 KK Annotated Mild C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)C1 ZINC000028568320 KK Annotated Mild O=S(=O)(NC[C@@H]1C[C@@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000028568341 KK Annotated Anodyne O=S(=O)(NC[C@H]1C[C@@]2(c3ccc(F)cc3)N[C@@H]1CC[C@@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000028568342 KK Annotated Anodyne O=C1/C(=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC(=S)N1NS(=O)(=O)c1ccccc1 ZINC000028568637 KK Annotated Clean O=C(O)C[C@H](Cc1csc(CCCCNc2cc(N3CCSCC3)ccn2)n1)c1ccc2c(c1)OCO2 ZINC000028568695 KK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCCNc2cc(N3CCCC3)ccn2)n1)c1ccc2c(c1)OCO2 ZINC000028568807 KK Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)Nc1cc(C)no1 ZINC000028569067 KK Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)Nc1cc(C)no1 ZINC000028569068 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569071 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569072 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCCC1 ZINC000028569073 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCCC1 ZINC000028569074 KK Annotated Anodyne O=C(NCCCc1c[nH]cn1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569129 KK Annotated Anodyne O=C(NCCCc1c[nH]cn1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569130 KK Annotated Anodyne CCCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569184 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCCCC1 ZINC000028569198 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCCCC1 ZINC000028569199 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCC1 ZINC000028569205 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCC1 ZINC000028569206 KK Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)Nc1cccnc1 ZINC000028569211 KK Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)Nc1cccnc1 ZINC000028569212 KK Annotated Anodyne O=C(Nc1nncs1)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569250 KK Annotated Anodyne O=C(Nc1nncs1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569251 KK Annotated Anodyne Cc1noc(C)c1CNC(=O)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569252 KK Annotated Anodyne Cc1noc(C)c1CNC(=O)[C@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000028569253 KK Annotated Anodyne CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569262 KK Annotated Anodyne CC(C)(C)CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569285 KK Annotated Anodyne CC(C)(C)CC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)NCc1cccnc1 ZINC000028569286 KK Annotated Anodyne COC(=O)c1c(OCCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000028569291 KK Annotated Clean COC(=O)c1c(OCc2ccc(C(=O)OC(C)(C)C)cc2)c2ccccc2c2oc3c(c12)C(=O)c1ccccc1C3=O ZINC000028569320 KK Annotated Clean COCCn1c(=O)c(C(C)=O)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21 ZINC000028569434 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 ZINC000028569500 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](COC(=O)c4cccc5ccccc45)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028569502 KK Annotated Mild C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCCN1CCOCC1 ZINC000028569540 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](COC(=O)[C@H]4Cc5ccccc5CN4Cc4ccccc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028569738 KK Annotated Mild O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(-c2ccccc2)s1 ZINC000028569744 KK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(-c2ccccc2)s1 ZINC000028569745 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3CCC)cc1 ZINC000028569985 KK Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1CSC(=S)N(CCCCCCN2CN([C@H](Cc3ccccc3)C(=O)O)CSC2=S)C1 ZINC000028570047 KK Annotated Anodyne O=C(O)[C@H](Cc1ccccc1)N1CSC(=S)N(CCCCCCN2CN([C@@H](Cc3ccccc3)C(=O)O)CSC2=S)C1 ZINC000028570048 KK Annotated Anodyne COc1ccccc1COc1ccc(S(=O)(=O)c2ccc(C)nc2Nc2c(C)cc(C)cc2C)cc1 ZINC000028570114 KK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C=N\OCCCN2CCOCC2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570219 KK Annotated Mild CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1 ZINC000028570222 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCCN3CC(C)C)cc1 ZINC000028570223 KK Annotated Anodyne O=C(O)C[C@@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000028570276 KK Annotated Anodyne O=C(O)C[C@H](Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000028570277 KK Annotated Anodyne C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN(C)C ZINC000028570344 KK Annotated Mild COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2cc3ccccc3s2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C ZINC000028570349 KK Annotated Reactive O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570431 KK Annotated Mild O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2cc(CN3CCOCC3)on2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570447 KK Annotated Anodyne C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OC[C@@H](C)N1CCOCC1 ZINC000028570533 KK Annotated Mild C/C(CCCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCOCC1 ZINC000028570537 KK Annotated Mild CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCN3Cc2cnn(C)c2)cc1 ZINC000028570582 KK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570617 KK Annotated Mild C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCN(C)CC1 ZINC000028570618 KK Annotated Mild C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCSCC1 ZINC000028570619 KK Annotated Mild O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C/C(=N\OCCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570623 KK Annotated Mild O=C1N[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCNCC1 ZINC000028570627 KK Annotated Mild O=C1N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCNCC1 ZINC000028570628 KK Annotated Mild O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC2=NO[C@@H](CN3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570633 KK Annotated Anodyne O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC2=NO[C@H](CN3CCOCC3)C2)C[C@H]1Cc1c[nH]c2ccccc12 ZINC000028570634 KK Annotated Anodyne Cc1ccccc1-c1ccc(N2CCN(C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570649 KK Annotated Anodyne CO/N=C(/C)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1 ZINC000028570719 KK Annotated Mild CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 ZINC000028570775 KK Annotated Anodyne in-vitro C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCOCC1 ZINC000028570796 KK Annotated Mild C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCCN1CCOCC1 ZINC000028570797 KK Annotated Mild CCO[P@](=O)(O)c1ccc(Cn2c(=O)n(Cc3nc4ccccc4n3CCC(C)C)c3ccccc32)cc1 ZINC000028570823 KK Annotated Anodyne Cc1ccccc1-c1cnc(N2CCN(C)CC2)nc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028570837 KK Annotated Anodyne CCc1cc(Nc2cc(=O)n(CCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5-c4ccc(F)cc4)CC3)c(=O)[nH]2)ccc1C ZINC000028570871 KK Annotated Anodyne O=C1N[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCOCC1 ZINC000028570907 KK Annotated Mild O=C1N[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CN1C1CCOCC1 ZINC000028570908 KK Annotated Mild CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCN3CCC)cc1 ZINC000028571062 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCN3CCC)cc1 ZINC000028571063 KK Annotated Anodyne CC(C)=CCCC1=C[C@H](c2c(O)cc3c(c2O)C(=O)C[C@@H](c2cc(O)ccc2O)O3)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000028571089 KK Annotated Anodyne in-vivo c1ccc(CO[C@H]2[C@H](Cc3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)cc1 ZINC000028571200 KK Annotated Anodyne COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)[C@H](C(=O)O)c1ccccc1)(c1ccc(F)cc1)C2=O ZINC000028571219 KK Annotated Clean COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)[C@H](C(=O)O)c1ccccc1)(c1ccc(F)cc1)C2=O ZINC000028571220 KK Annotated Clean c1ccc(CO[C@H]2[C@H](c3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)cc1 ZINC000028571625 KK Annotated Anodyne Cc1ccccc1-c1nc(N2CCN(C)CC2)ncc1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028571715 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](COC(=O)c4cccc(Cl)c4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028571743 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)c4cccc5ccccc45)N3[C@@H](C#N)[C@H](C2)N1C ZINC000028571745 KK Annotated Mild CC[C@@H](CNc1ccc(OCC(=O)OC(C)(C)C)cc1)NC(=O)C1(Nc2cccc(-c3ccccc3)c2)CCCCC1 ZINC000028571761 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 ZINC000028572018 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@@](=O)Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1 ZINC000028572019 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCCN3CCC)cc1 ZINC000028572020 KK Annotated Anodyne c1ccc(CO[C@H]2[C@@H](c3ccccc3)O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OCc2ccccc2)cc1 ZINC000028572025 KK Annotated Anodyne CC1(F)CCN([C@@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 ZINC000028572081 KK Annotated Anodyne CC1(F)CCN([C@H]2C[C@@H](Oc3ccc(Cl)cc3)c3c(c4ccccc4n3CC3CCNCC3)C2=O)CC1 ZINC000028572082 KK Annotated Anodyne CC(C)C[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000028572310 KK Annotated Anodyne C[C@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000028572365 KK Annotated Anodyne C[C@@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000028572366 KK Annotated Anodyne CN(C)C(=O)c1ccc(C(Oc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)c(F)c2)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000028572582 KK Annotated Anodyne C[C@]1(COc2ccc(N3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1 ZINC000028604513 KK Annotated Clean CCOC[C@@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000028604537 KK Annotated Anodyne CCOC[C@@H](O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635425 KK Annotated Anodyne CCOC[C@H](O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635428 KK Annotated Anodyne CC(=O)OC[C@@H](O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635687 KK Annotated Anodyne CC(=O)OC[C@H](O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635690 KK Annotated Anodyne CC(=O)O[C@@H](CO)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635692 KK Annotated Anodyne CC(=O)O[C@H](CO)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635695 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)CN(CC(=O)O)CC(=O)O)c1C(C)(C)C ZINC000028635700 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H](O)CN(CC(=O)O)CC(=O)O)c1C(C)(C)C ZINC000028635702 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)CNCC(=O)O)c1C(C)(C)C ZINC000028635704 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H](O)CNCC(=O)O)c1C(C)(C)C ZINC000028635707 KK Annotated Anodyne COCCOCCOCCOc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028635709 KK Annotated Anodyne CCCC[C@@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 ZINC000028635757 KK Annotated Reactive CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 ZINC000028635760 KK Annotated Reactive CCCC[C@@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 ZINC000028635762 KK Annotated Reactive CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 ZINC000028635765 KK Annotated Reactive CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 ZINC000028635775 KK Annotated Reactive C=CC(=O)OCCCCOc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028636005 KK Annotated Anodyne CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 ZINC000028636032 KK Annotated Anodyne CCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 ZINC000028636044 KK Annotated Anodyne CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)c1c(O)c2 ZINC000028636052 KK Annotated Anodyne COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(OC(F)(F)F)cc4)n3)c2)CCOCC1 ZINC000028636283 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCCCCCN(C)CCCCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028637237 KK Annotated Bother COc1c(C)c(OC)c(OC)c2c1C=C1[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H]([C@H](C#N)N1[C@H]2CN1[C@@H](C#N)c2ccccc2[C@@H]1C#N)N3C ZINC000028637313 KK Annotated Mild CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H]2CO2)c1C(C)(C)C ZINC000028637325 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H]2CO2)c1C(C)(C)C ZINC000028637328 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCOCCN(C)CCOCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028637372 KK Annotated Bother CCOc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028637434 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)CO)c1C(C)(C)C ZINC000028637437 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H](O)CO)c1C(C)(C)C ZINC000028637440 KK Annotated Anodyne COC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CCC(=O)O4)CC[C@]23C)C1(C)C ZINC000028637539 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(O/C=C/CO)c1C(C)(C)C ZINC000028637553 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7nc8ccccc8nc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1O3 ZINC000028637563 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000028637568 KK Annotated Bother CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(O/C=C/C(=O)O)c1C(C)(C)C ZINC000028637668 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCCCCO)c1C(C)(C)C ZINC000028637673 KK Annotated Anodyne COC(=O)[C@H](CCSC)N(C(=O)c1ccccc1)C1CCN(Cc2cncn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000028637712 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCN(C)CCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028637726 KK Annotated Bother CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCC(CO)CO)c1C(C)(C)C ZINC000028637796 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nccnc12 ZINC000028637969 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nccnc12 ZINC000028637971 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nc3ccccc3nc12 ZINC000028637973 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nc3ccccc3nc12 ZINC000028637975 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028638033 KK Annotated Bother CN(CCCOC(=O)c1c2ccccc2cc2ccccc12)CCN(C)CCCOC(=O)c1c2ccccc2cc2ccccc12 ZINC000028638036 KK Annotated Bother O=C1N(c2ccc(Cl)cc2)C(=S)NC1(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000028638070 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000028638110 KK Annotated Anodyne COC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000028638112 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCCCC2)c(C(=O)c2ccccc2)c1 ZINC000028638156 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCCCC2)c(C(=O)c2ccccc2)c1 ZINC000028638160 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)c(C(=O)c2ccccc2)c1 ZINC000028638163 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c(C(=O)c2ccccc2)c1 ZINC000028638166 KK Annotated Bother O=C1CCN([C@@H](C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028638176 KK Annotated Bother O=C1CCN([C@H](C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000028638180 KK Annotated Bother COc1cc(/C=C/C(=O)OCCCNCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028638201 KK Annotated Bother COc1cc(/C=C/C(=O)OCCCN(C)CCN(C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028638203 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H](O)[C@@H](O)CO)c1C(C)(C)C ZINC000028638276 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H]2OC(=O)[C@H](O)[C@@H]2O)c1C(C)(C)C ZINC000028638282 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O)c1C(C)(C)C ZINC000028638285 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)c1C(C)(C)C ZINC000028638287 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H]2O[C@H](O)[C@H](O)[C@@H]2O)c1C(C)(C)C ZINC000028638290 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2C4=C(CC[C@]23C)c2nccnc2[C@H]4C(C)C)C1(C)C ZINC000028638306 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@H]2C4=C(CC[C@]23C)c2nccnc2[C@H]4C(C)C)C1(C)C ZINC000028638309 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nccnc12 ZINC000028638312 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nccnc12 ZINC000028638314 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nc3ccccc3nc12 ZINC000028638316 KK Annotated Anodyne COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nc3ccccc3nc12 ZINC000028638318 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCCC(=O)O)c1C(C)(C)C ZINC000028638399 KK Annotated Anodyne CSCC[C@H](N)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000028638419 KK Annotated Bother CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)[C@@H](O)[C@@H](O)CO)c1C(C)(C)C ZINC000028638565 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1C(C)(C)C ZINC000028638568 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1C(C)(C)C ZINC000028638571 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)c1C(C)(C)C ZINC000028638574 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(CCO)CC2)c(C(=O)c2ccccc2)c1 ZINC000028638582 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(CCO)CC2)c(C(=O)c2ccccc2)c1 ZINC000028638585 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c(C(=O)c2ccccc2)c1 ZINC000028638588 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c(C(=O)c2ccccc2)c1 ZINC000028638597 KK Annotated Bother CCOC(=O)/C=C/Oc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028638721 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCCCCC(=O)O)c1C(C)(C)C ZINC000028638724 KK Annotated Anodyne CCOC(=O)CCNC(=O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028638727 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCC(=O)NCCC(=O)O)c1C(C)(C)C ZINC000028638729 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCC(=O)NCC(=O)O)c1C(C)(C)C ZINC000028638732 KK Annotated Anodyne CN1CCN([C@@H](C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028638735 KK Annotated Bother CN1CCN([C@H](C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000028638739 KK Annotated Bother N[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000028638743 KK Annotated Bother N[C@@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000028638746 KK Annotated Bother N[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccc(F)cc1 ZINC000028638749 KK Annotated Bother COc1ccc(CCN2C=CC=C3C2=Nc2ccccc2N(Cc2ccc(OC)cc2)S3(=O)=O)cc1 ZINC000028638848 KK Annotated Anodyne CN(CC(=O)O)C(=O)COc1c(C(C)(C)C)ccc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C(C)(C)C ZINC000028638872 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCC(=O)NC(CO)CO)c1C(C)(C)C ZINC000028638876 KK Annotated Anodyne CC(C)(Sc1cc(C(C)(C)C)c(OCC(=O)O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCC(=O)O)c1C(C)(C)C ZINC000028638878 KK Annotated Anodyne N[C@@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000028638889 KK Annotated Bother N[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000028638892 KK Annotated Bother N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000028638895 KK Annotated Bother CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000028638933 KK Annotated Mild CC(C)=CCC[C@@]1(C)[C@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1cc(O)c(O)cc1O)=C2O ZINC000028638935 KK Annotated Mild CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OCC#N)c1C(C)(C)C ZINC000028639032 KK 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)c2nc3ccccc3nc21 ZINC000028639049 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028639084 KK Annotated Bother COc1ccc([C@](C#N)(CCC(=O)OCCCNCCCOC(=O)c2c3ccccc3cc3ccccc23)C(C)C)cc1OC ZINC000028639087 KK Annotated Mild COc1ccc([C@@](C#N)(CCC(=O)OCCCNCCCOC(=O)c2c3ccccc3cc3ccccc23)C(C)C)cc1OC ZINC000028639090 KK Annotated Mild CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC/C(N)=N/O)c1C(C)(C)C ZINC000028639171 KK Annotated Mild COc1cc(/C=C/C(=O)OCCCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028639242 KK Annotated Bother COc1cc(/C=C/C(=O)OCCCCCN(C)CCCCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000028639245 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCCCCN(C)CCCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000028639251 KK Annotated Bother CC(C)C[C@H](N)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000028639331 KK Annotated Bother FC(F)(F)C(F)(F)c1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000028639680 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)[C@H]2C[C@H](O)C(C)(C)O2)[C@@]1(C)CC3 ZINC000028639956 KK Annotated Anodyne COc1cccc(NC2=C3C(=O)c4ccccc4[C@@H]4ON=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@H]34)c1 ZINC000028640430 KK Annotated Mild COc1cccc(NC2=C3C(=O)c4ccccc4[C@@H]4ON=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@@H]34)c1 ZINC000028640433 KK Annotated Mild COc1cccc(NC2=C3C(=O)c4ccccc4[C@H]4ON=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@H]34)c1 ZINC000028640436 KK Annotated Mild COc1cccc(NC2=C3C(=O)c4ccccc4[C@H]4ON=C(C(N5CCN(Cc6cc(Cl)ccc6OC)CC5)=C2)[C@@H]34)c1 ZINC000028640439 KK Annotated Mild O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1 ZINC000028640771 KK Annotated Clean CCCC(=O)NC1=CC(=O)c2ccc(-c3nc(C(=O)OCCC(C)C)cc4c3[nH]c3ccccc34)nc2C1=O ZINC000028640882 KK Annotated Mild O=C(NN(CCCc1ccccc1)CCCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028641027 KK Annotated Reactive O=C(N/N=C/c1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028641030 KK Annotated Reactive CCc1c(Cc2c(Cl)cccc2Cl)c(=O)cc(CC2CCCCC2)n1C(=O)OCc1ccccc1 ZINC000028641539 KK Annotated Anodyne Cc1cccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3Br)C[C@H]2C)c1 ZINC000028641772 KK Annotated Anodyne Cc1cccc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3Br)C[C@@H]2C)c1 ZINC000028641774 KK Annotated Anodyne CCCCCOc1c(OC)cc(N(C)CCCNC(=O)N[C@H](C(=O)O)c2ccccc2)c2nccc(CC)c12 ZINC000028642320 KK Annotated Clean C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@@H](O)[C@@H](COC(=O)c3ccccc3)C[C@H](OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000028642384 KK Annotated Mild CC(=O)OC[C@H]1C[C@H](OC(=O)/C=C/c2ccccc2)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3C[C@H]1OC(C)=O)C2(C)C ZINC000028642385 KK Annotated Mild Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c12 ZINC000028642393 KK Annotated Reactive O=C(NN(CCc1ccccc1)CCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028642464 KK Annotated Reactive COc1ccc(-c2cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000028642536 KK Annotated Reactive CCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 ZINC000028642684 KK Annotated Reactive O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642801 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642803 KK Annotated Anodyne Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000028642805 KK Annotated Anodyne Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000028642807 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)OCC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028642843 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)OCC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028642845 KK Annotated Mild Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3Cl)C[C@@]2(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000028642871 KK Annotated Anodyne Cc1ccc(OCC(=O)N2N=C(c3ccc(Cl)cc3Cl)C[C@]2(O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000028642873 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2Cl)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642875 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2Cl)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642877 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642891 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642893 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccn2)[C@@]2(C)C(=O)[C@](CCC(=O)OCC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028642928 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccn2)[C@@]2(C)C(=O)[C@](CCC(=O)OCC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028642930 KK Annotated Mild COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000028642945 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000028642946 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(C)cc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000028642948 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(C)cc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000028642950 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2Cl)C[C@@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642952 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2Cl)C[C@]1(O)c1cc(F)c(Cl)cc1Cl ZINC000028642955 KK Annotated Anodyne O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000028643033 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2)[C@@]2(C)C(=O)[C@](CCC(=O)OCC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643069 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccncc2)[C@@]2(C)C(=O)[C@](CCC(=O)OCC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643072 KK Annotated Mild CCN(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(C)cc3)C(=O)/C(=C/c3ccc(C)cc3)C2)cc1 ZINC000028643092 KK Annotated Mild CC(C)CNCc1ccc2c(c1)OCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000028643136 KK Annotated Anodyne O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1)N[C@@H]1CCOc2cc(CNC3CCC3)ccc21 ZINC000028643138 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2C(=O)O)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643162 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2C(=O)O)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643165 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)NCC(=O)OC(C)(C)C)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643168 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)NCC(=O)OC(C)(C)C)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643171 KK Annotated Mild COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3Cl)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000028643197 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3Cl)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000028643200 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643467 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(N)c2)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643471 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(C)nc(C)c2)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028643668 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2cc(C)nc(C)c2)[C@@]2(C)C(=O)[C@](CCC(=O)N(CC)CC)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028643671 KK Annotated Mild CC[N+](C)(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1 ZINC000028643924 KK Annotated Mild CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)C/C(=N/Nc4nc5nc6ccccc6nc5s4)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000028644080 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000028644134 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2ccccc2)[C@@]2(C)C(=O)[C@](CCC(=O)O)(CC[C@@H]2C)[C@@H](C)[C@@H]1O ZINC000028644138 KK Annotated Mild CC[N+](C)(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(Cl)cc3)C(=O)/C(=C/c3ccc(Cl)cc3)C2)cc1 ZINC000028644225 KK Annotated Mild CCCc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000028644407 KK Annotated Anodyne CCCc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000028644409 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC000028644812 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(Cl)cc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC000028644815 KK Annotated Anodyne CC[N+](C)(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000028644831 KK Annotated Mild COc1ccc(C2=NN(C(=O)COc3ccc(C)cc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC000028644955 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)COc3ccc(C)cc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1 ZINC000028644958 KK Annotated Anodyne CC[N+](C)(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(C)cc3)C(=O)/C(=C/c3ccc(C)cc3)C2)cc1 ZINC000028644971 KK Annotated Mild CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C ZINC000028645880 KK Annotated Mild CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C ZINC000028645883 KK Annotated Mild CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000028645886 KK Annotated Mild CC1(C)C=C2c3cc4[nH]c5c(c4cc3C[C@@H]2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C ZINC000028645889 KK Annotated Mild CC(C)N1CCC([C@@H](CN2CCN(CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645967 KK Annotated Anodyne CC(C)N1CCC([C@H](CN2CCN(CCCc3c(F)cccc3-c3ccccc3)CC2)c2ccc(F)cc2)CC1 ZINC000028645970 KK Annotated Anodyne CC(C)N1CCN([C@@H](CN2CCN(CCCCc3c(Br)ccc4ccccc34)CC2)c2ccc(F)cc2)CC1 ZINC000028646252 KK Annotated Anodyne CC(C)N1CCN([C@H](CN2CCN(CCCCc3c(Br)ccc4ccccc34)CC2)c2ccc(F)cc2)CC1 ZINC000028646254 KK Annotated Anodyne C=CC[C@@H](N[C@@H](CO)c1ccccc1)c1cn(Cc2ccccc2Cl)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000028646689 KK Annotated Mild C=CC[C@H](N[C@H](CO)c1ccccc1)c1cn(Cc2ccccc2Cl)c(=O)n(Cc2ccccc2Cl)c1=O ZINC000028646695 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000028646875 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=N\OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1 ZINC000028647259 KK Annotated Mild CCCCS/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(C(C)(C)C)cc1 ZINC000028647281 KK Annotated Mild c1ccc(COCCCNc2nnc(NCCCOCc3ccccn3)c3cc4ccccc4cc23)nc1 ZINC000028647506 KK Annotated Bother O=C(NN1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000028648864 KK Annotated Anodyne O=C(NC1CCCCC1)c1cnc(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 ZINC000028648882 KK Annotated Anodyne Cc1ccccc1-c1ncnc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](C)CO2 ZINC000028649404 KK Annotated Anodyne Cc1ccccc1-c1ncnc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](C)CO2 ZINC000028649412 KK Annotated Anodyne Cc1ccccc1-c1nc(N(C)C)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](C)CO2 ZINC000028649416 KK Annotated Anodyne Cc1ccccc1-c1nc(N(C)C)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](C)CO2 ZINC000028649420 KK Annotated Anodyne Cc1ccccc1-c1nc(N(C)C)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2 ZINC000028649423 KK Annotated Anodyne CC(=O)N1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)CO3)CC1 ZINC000028649427 KK Annotated Anodyne CC(=O)N1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)CO3)CC1 ZINC000028649434 KK Annotated Anodyne CC(=O)N1[C@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)CO3)C[C@H]1C ZINC000028649437 KK Annotated Anodyne CC(=O)N1[C@@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)CO3)C[C@H]1C ZINC000028649441 KK Annotated Anodyne CC(=O)N1[C@@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)CO3)C[C@@H]1C ZINC000028649448 KK Annotated Anodyne CC(=O)N1[C@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)CO3)C[C@H]1C ZINC000028649452 KK Annotated Anodyne CC(=O)N1[C@@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)CO3)C[C@H]1C ZINC000028649455 KK Annotated Anodyne CC(=O)N1[C@@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@H](C)CO3)C[C@@H]1C ZINC000028649461 KK Annotated Anodyne CC(=O)N1[C@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCO3)C[C@H]1C ZINC000028649465 KK Annotated Anodyne CC(=O)N1[C@@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCO3)C[C@H]1C ZINC000028649469 KK Annotated Anodyne CC(=O)N1[C@@H](C)CN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCO3)C[C@@H]1C ZINC000028649474 KK Annotated Anodyne CC(C)N(CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@]2(c3cccc(C#N)c3)C[C@@H]2C1)C(C)C ZINC000028649904 KK Annotated Mild CC(C)N(CCN(C(=O)Nc1cccc(Br)c1)[C@@H]1CC[C@]2(c3cccc(C#N)c3)C[C@@H]2C1)C(C)C ZINC000028649908 KK Annotated Mild CO/N=C/c1cccc([C@]23CC[C@@H](N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)C[C@H]2C3)c1 ZINC000028649974 KK Annotated Mild O=C(Nc1ccccc1Br)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)cc1Br ZINC000028650373 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@@]1(O[C@@H](c3ccc(Cl)c(Cl)c3)[C@@H](C(=O)Nc3ccc(-c4csnn4)cc3)[C@H]1C(=O)O)C2=O ZINC000028650633 KK Annotated Clean Cc1cc2c(s1)C(=O)[C@@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)O)C2=O ZINC000028650720 KK Annotated Anodyne Cc1cc2c(s1)C(=O)[C@]1(O[C@@H](c3ccc(Br)c(Br)c3)[C@@H](C(=O)Nc3ccc(N4CCOCC4)cc3)[C@H]1C(=O)O)C2=O ZINC000028650724 KK Annotated Anodyne COc1c(Br)cc(C=O)c(OCc2cc(N(C)C)ccc2Br)c1Br ZINC000028652118 KK Annotated Anodyne COC(=O)/C(=C/c1cc(Br)c(OC)c(Br)c1OCc1ccccc1)NC(=O)c1ccccc1 ZINC000028652150 KK Annotated Anodyne COc1c(Br)cc(/C=C2\N=C(c3ccccc3)OC2=O)c(OC(=O)c2ccc(N(C)C)cc2)c1Br ZINC000028652163 KK Annotated Anodyne COc1c(Br)cc(/C=C2\N=C(c3ccccc3)OC2=O)c(OCc2cc(N(C)C)ccc2Br)c1Br ZINC000028652182 KK Annotated Anodyne COC(=O)[C@@H]1Cc2c[nH]c3c(cccc23)-c2ccc(cc2OCc2ccccc2)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1 ZINC000028652870 KK Annotated Anodyne CCO[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654202 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1ccccc1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654206 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654210 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654214 KK Annotated Bother CCO[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654217 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1ccccc1O[C@@]2(OCC)c1ccc(OC)cc1 ZINC000028654220 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654224 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654228 KK Annotated Bother CCO[C@@]1(c2ccc(Cl)cc2)Oc2c(Cl)c(OC)cc(OC)c2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654230 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654234 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654237 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654240 KK Annotated Bother CCO[C@@]1(c2ccccc2Cl)Oc2c(Cl)c(OC)cc(OC)c2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654243 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@@]2(OCC)c1ccccc1Cl ZINC000028654247 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccccc1Cl ZINC000028654249 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccccc1Cl ZINC000028654253 KK Annotated Bother CCO[C@@]1(c2ccc(C)cc2)Oc2c(Cl)c(OC)cc(OC)c2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654257 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@@]2(OCC)c1ccc(C)cc1 ZINC000028654261 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(C)cc1 ZINC000028654264 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(C)cc1 ZINC000028654267 KK Annotated Bother CCO[C@@]1(c2ccc(OC)cc2)Oc2c(Cl)c(OC)cc(OC)c2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654270 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@@]2(OCC)c1ccc(OC)cc1 ZINC000028654274 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654278 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654281 KK Annotated Bother CCO[C@@]1(c2ccc(Cl)cc2)Oc2ccc(C)cc2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654283 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654287 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654290 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654293 KK Annotated Bother CCO[C@@]1(c2cc3c(cc2Cl)OCO3)Oc2ccc(C)cc2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654296 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1cc2c(cc1Cl)OCO2 ZINC000028654299 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1cc2c(cc1Cl)OCO2 ZINC000028654302 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1cc2c(cc1Cl)OCO2 ZINC000028654306 KK Annotated Bother CCO[C@@]1(c2cc(OC)c(OC)cc2Cl)Oc2ccc(C)cc2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654310 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1cc(OC)c(OC)cc1Cl ZINC000028654312 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1cc(OC)c(OC)cc1Cl ZINC000028654314 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1cc(OC)c(OC)cc1Cl ZINC000028654317 KK Annotated Bother CCO[C@@]1(c2ccc(OC)cc2)Oc2ccc(C)cc2C2=NN(c3ccc([N+](=O)[O-])cc3Cl)S[C@]21OCC ZINC000028654320 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1ccc(OC)cc1 ZINC000028654324 KK Annotated Bother CCO[C@@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654326 KK Annotated Bother CCO[C@]12SN(c3ccc([N+](=O)[O-])cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654329 KK Annotated Bother COc1cc(OC)c2c(c1Cl)O[C@](OC)(c1ccc(Cl)cc1)[C@]1(OC)SN(c3ccc([N+](=O)[O-])cc3Cl)N=C21 ZINC000028654332 KK Annotated Bother COc1cc(OC)c2c(c1Cl)O[C@](OC)(c1ccc(Cl)cc1)[C@@]1(OC)SN(c3ccc([N+](=O)[O-])cc3Cl)N=C21 ZINC000028654334 KK Annotated Bother COc1cc(OC)c2c(c1Cl)O[C@@](OC)(c1ccc(Cl)cc1)[C@]1(OC)SN(c3ccc([N+](=O)[O-])cc3Cl)N=C21 ZINC000028654337 KK Annotated Bother COc1cc(OC)c2c(c1Cl)O[C@@](OC)(c1ccc(Cl)cc1)[C@@]1(OC)SN(c3ccc([N+](=O)[O-])cc3Cl)N=C21 ZINC000028654340 KK Annotated Bother CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1ccccc1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654344 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654348 KK Annotated Anodyne CCO[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C2=NN(c3ccc(S(C)(=O)=O)cc3Cl)S[C@]21OCC ZINC000028654349 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654352 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1ccc(OC)cc1 ZINC000028654355 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654358 KK Annotated Anodyne CCO[C@@]1(c2ccc(OC)cc2)Oc2ccc(C)cc2C2=NN(c3ccc(S(C)(=O)=O)cc3Cl)S[C@]21OCC ZINC000028654361 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654364 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1ccccc1O[C@@]2(OCC)c1ccc(OC)cc1 ZINC000028654367 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654370 KK Annotated Anodyne CCO[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C2=NN(c3ccc(S(C)(=O)=O)cc3Cl)S[C@]21OCC ZINC000028654373 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(OC)cc1 ZINC000028654376 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654379 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654382 KK Annotated Anodyne CCO[C@@]1(c2ccc(Cl)cc2)Oc2c(Cl)c(OC)cc(OC)c2C2=NN(c3ccc(S(C)(=O)=O)cc3Cl)S[C@]21OCC ZINC000028654385 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1c(OC)cc(OC)c(Cl)c1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654388 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654391 KK Annotated Anodyne CCO[C@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654394 KK Annotated Anodyne CCO[C@@]1(c2ccc(Cl)cc2)Oc2ccc(C)cc2C2=NN(c3ccc(S(C)(=O)=O)cc3Cl)S[C@]21OCC ZINC000028654398 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(S(C)(=O)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654402 KK Annotated Anodyne CCO[C@]12SN(c3ccc(NC(C)=O)cc3Cl)N=C1c1ccccc1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654406 KK Annotated Anodyne CCO[C@]12SN(c3ccc(NC(C)=O)cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654410 KK Annotated Anodyne CCO[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C2=NN(c3ccc(NC(C)=O)cc3Cl)S[C@]21OCC ZINC000028654413 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(NC(C)=O)cc3Cl)N=C1c1ccccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654417 KK Annotated Anodyne CCO[C@]12SN(c3ccc(NC(C)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@@]2(OCC)c1ccc(Cl)cc1 ZINC000028654420 KK Annotated Anodyne CCO[C@]12SN(c3ccc(NC(C)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654424 KK Annotated Anodyne CCO[C@@]1(c2ccc(Cl)cc2)Oc2ccc(C)cc2C2=NN(c3ccc(NC(C)=O)cc3Cl)S[C@]21OCC ZINC000028654427 KK Annotated Anodyne CCO[C@@]12SN(c3ccc(NC(C)=O)cc3Cl)N=C1c1cc(C)ccc1O[C@]2(OCC)c1ccc(Cl)cc1 ZINC000028654431 KK Annotated Anodyne COc1cc(C(=O)Oc2c(O)cc3c(c2C)[C@@H](O)C[C@@H]2[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]23C)ccc1O ZINC000028654541 KK Annotated Anodyne COc1cc(C(=O)Oc2c(O)cc3c(c2C)[C@H](O)C[C@@H]2[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]23C)ccc1O ZINC000028654544 KK Annotated Anodyne COc1cc(C(=O)Oc2c(O)cc3c(c2C)[C@@H](O)C[C@H]2[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]23C)ccc1O ZINC000028654547 KK Annotated Anodyne COc1cc(C(=O)Oc2c(O)cc3c(c2C)[C@H](O)C[C@H]2[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]23C)ccc1O ZINC000028654550 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=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 ZINC000028654554 KK Annotated Mild C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=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 ZINC000028654558 KK Annotated Mild C=C(C)[C@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=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 ZINC000028654562 KK Annotated Mild C=C(C)[C@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1cc2c(c(C)c1O3)C(=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 ZINC000028654565 KK Annotated Mild C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028654639 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)[C@H](O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028654642 KK Annotated Mild C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000028654646 KK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000028654677 KK Annotated Mild C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000028654681 KK Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000028654707 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000028654710 KK Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000028654744 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@H](CCC(=C)C(C)(C)O)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000028654748 KK Annotated Mild in-vitro biogenic Cc1oc2c(CC(C)C)c(O)c(O)c(O)c2c(=O)c1-c1ccc(-c2c(C)oc3c(CC(C)C)c(O)c(O)c(O)c3c2=O)cc1 ZINC000028656069 KK Annotated Clean COc1c(OC)c(OC)c2c(=O)c(-c3ccc(-c4c(C)oc5c(CC(C)C)c(OC)c(OC)c(OC)c5c4=O)cc3)c(C)oc2c1CC(C)C ZINC000028656076 KK Annotated Anodyne C=CC/C(=C\CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC/C=C(\C)CCC=C(C)C ZINC000028656244 KK Annotated Reactive C=CC/C(=C\CO[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC/C=C(\C)CCC=C(C)C ZINC000028656247 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)C(C)(C)C ZINC000028656251 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)C(C)(C)C ZINC000028656254 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC=C(C)C ZINC000028656257 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC=C(C)C ZINC000028656260 KK Annotated Reactive CO/N=C(\Br)CCC/C=C(\c1cc(C)c(OC)c(/C(Br)=N/OC)c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000028656368 KK Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCc2nc(C)no2)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000028656372 KK Annotated Mild COc1ccc(C[C@@H](c2cc(F)cc(C#N)c2)[C@H](C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000028701760 KK Annotated Mild C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(OCCF)cc1)c1cc(F)cc(C#N)c1 ZINC000028701764 KK Annotated Mild C[C@H](NC(=O)C(C)(C)Oc1cc(C(F)(F)F)ccn1)[C@@H](Cc1ccc(OCCF)cc1)c1cccc(C#N)c1 ZINC000028701766 KK Annotated Mild O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3cccc([N+](=O)[O-])c3)ccc2O)N1c1ccc(Br)cc1 ZINC000028702211 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)N1c1ccc(Br)cc1 ZINC000028702240 KK Annotated Reactive CCc1c(C(=O)N[C@H]2CCCC[C@@H]2O)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 ZINC000028702542 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc3c2)C1 ZINC000028702941 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccc(C)cc4)c(-c4ccc(C)cc4)nc3c2)C1 ZINC000028702943 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccc(Br)cc4)c(-c4ccc(Br)cc4)nc3c2)C1 ZINC000028702962 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3nc(-c4ccc(Br)cc4)c(-c4ccc(Br)cc4)nc3c2)C1 ZINC000028702964 KK Annotated Anodyne O=C(Nc1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000028702967 KK Annotated Anodyne O=C(Nc1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Br)cc3)nc2c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000028702970 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000028703367 KK Annotated Anodyne C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028703369 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCCCC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000028703371 KK Annotated Anodyne CN1CCc2cc(Br)c(NS(=O)(=O)c3ccc(-c4ccc(Cl)cc4)cc3)cc2CC1 ZINC000028704234 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-n5ccnc5)cc4)CC3)C2=O)c1 ZINC000028704459 KK Annotated Anodyne O=C1N(C2CCCCC2)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704472 KK Annotated Anodyne O=C1N(c2ccccc2)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704474 KK Annotated Anodyne O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704477 KK Annotated Anodyne O=C1N(CCc2ccccc2)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704479 KK Annotated Anodyne O=C1N(c2cccc3ccccc23)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704481 KK Annotated Anodyne O=C1N([C@@H]2CCCc3ccccc32)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704483 KK Annotated Anodyne O=C1N([C@H]2CCCc3ccccc32)C(=O)C2(CCN(Cc3ccc(-n4ccnc4)cc3)CC2)N1Cc1ccccc1F ZINC000028704485 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-n5ccnc5C)cc4)CC3)C2=O)c1 ZINC000028704487 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccncc5)cc4)CC3)C2=O)c1 ZINC000028704492 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccc(C)nc5)cc4)CC3)C2=O)c1 ZINC000028704496 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5ccc(N)nc5)cc4)CC3)C2=O)c1 ZINC000028704500 KK Annotated Anodyne COc1cncc(-c2ccc(CN3CCC4(CC3)C(=O)N(c3cccc(OC)c3)C(=O)N4Cc3ccccc3F)cc2)c1 ZINC000028704502 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cnccc5OC)cc4)CC3)C2=O)c1 ZINC000028704512 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cnccc5Cl)cc4)CC3)C2=O)c1 ZINC000028704514 KK Annotated Anodyne COc1cccc(N2C(=O)N(Cc3ccccc3F)C3(CCN(Cc4ccc(-c5cccc(N(C)CCC#N)c5)cc4)CC3)C2=O)c1 ZINC000028704538 KK Annotated Mild C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000028704982 KK Annotated Mild CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(OCC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000028705136 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)CCC(=O)Nc2ccc(-c3ccc(OCC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000028705145 KK Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000028705147 KK Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2CCC(=O)Nc2ccc(-c3ccc(OCC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000028705150 KK Annotated Anodyne CN(C(=O)CCC(=O)Nc1ccc(-c2ccc(OCC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705152 KK Annotated Anodyne CCN(C(=O)CCC(=O)Nc1ccc(-c2ccc(OCC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705155 KK Annotated Anodyne C=CCN(C(=O)CCC(=O)Nc1ccc(-c2ccc(OCC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705159 KK Annotated Mild CC(C)(C)c1ccc(N(C(=O)CCC(=O)Nc2ccc(-c3ccc(OCC(=O)O)cc3)cc2Cl)C2CC2)c(Cl)c1 ZINC000028705162 KK Annotated Anodyne CC(C)(C)c1ccc(N(CC(F)(F)F)C(=O)CCC(=O)Nc2ccc(-c3ccc(OCC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000028705165 KK Annotated Anodyne CCN(C(=O)CCC(=O)Nc1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705168 KK Annotated Anodyne CCN(C(=O)OCC(=O)Nc1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705197 KK Annotated Anodyne CCN(C(=O)NCC(=O)Nc1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705217 KK Annotated Anodyne CCN(C(=O)SCC(=O)Nc1ccc(-c2ccc(CC(=O)O)cc2)cc1Cl)c1ccc(C(C)(C)C)cc1Cl ZINC000028705220 KK Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)C3CCCC3)CC2)c(OC)c1 ZINC000028705671 KK Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccccc3c(=O)n2N2CCN(C(=O)C3CCCC3)CC2)c(OC)c1 ZINC000028705674 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)c(I)c(O)c6c(=O)c7c(O)cc(C(=O)O)c8c1c2c(c34)c(c78)c65 ZINC000028705885 KK Annotated Bother COc1ccc(-c2c(C)c3c(n2-c2ccc(Cl)cc2Cl)CCN(C2CCCCC2)C3=O)cc1OC ZINC000028706517 KK Annotated Anodyne Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1cccc(C(F)(F)F)c1)CCN(C1CCCCC1)C2=O ZINC000028706522 KK Annotated Anodyne Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1cc3ccccc3s1)CCN(C1CCCCC1)C2=O ZINC000028706537 KK Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCC[C@H]4CNc4c(C)cccc4C)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706583 KK Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCC[C@@H]4CNc4c(C)cccc4C)ccc3OC(C)(C)[C@H]2O)cc1 ZINC000028706586 KK Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N4CCC[C@H]4CNc4c(C)cccc4C)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706839 KK Annotated Anodyne CCc1ccc(S(=O)(=O)N[C@H]2c3cc(C(=O)N4CCC[C@@H]4CNc4c(C)cccc4C)ccc3OC(C)(C)[C@@H]2O)cc1 ZINC000028706842 KK Annotated Anodyne C[C@@H](SC1c2ccccc2Oc2ccccc21)C(=O)NCCOCCOCCNC(=O)[C@@H](C)SC1c2ccccc2Oc2ccccc21 ZINC000028706893 KK Annotated Anodyne C[C@H](SC1c2ccccc2Oc2ccccc21)C(=O)NCCOCCOCCNC(=O)[C@@H](C)SC1c2ccccc2Oc2ccccc21 ZINC000028706897 KK Annotated Anodyne C[C@H](SC1c2ccccc2Oc2ccccc21)C(=O)NCCOCCOCCNC(=O)[C@H](C)SC1c2ccccc2Oc2ccccc21 ZINC000028706902 KK Annotated Anodyne COCc1c(Br)c(O)c(O)c(Br)c1Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000028707381 KK Annotated Clean Oc1c(O)c(Br)c(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br ZINC000028707385 KK Annotated Clean COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000028707386 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@]12CO2 ZINC000028707392 KK Annotated Anodyne COc1cc2c(c(OC)c1O)-c1c(cc(OC)c(OC)c1O)C[C@@H](C)[C@@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000028707394 KK Annotated Anodyne COc1cc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4cc(OC)c(OC)c(OC)c4)c3)ccn2)cc(OC)c1OC ZINC000028707550 KK Annotated Anodyne COc1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(OC)cc4)c3)ccn2)cc1 ZINC000028707552 KK Annotated Anodyne COc1cccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(OC)c4)c3)ccn2)c1 ZINC000028707555 KK Annotated Anodyne CC(=O)Nc1cccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc(NC(C)=O)c4)c3)ccn2)c1 ZINC000028707573 KK Annotated Anodyne Clc1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc(Cl)cc4)c3)ccn2)cc1 ZINC000028707575 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4ccc([N+](=O)[O-])cc4)c3)ccn2)cc1 ZINC000028707578 KK Annotated Bother O=[N+]([O-])c1cccc(-c2cc(CN3C[C@@H]4CC[C@H](C3)N4Cc3ccnc(-c4cccc([N+](=O)[O-])c4)c3)ccn2)c1 ZINC000028707581 KK Annotated Bother N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC4CCCCC4)cc3)s2)cc1)NC1CCCCC1 ZINC000028707673 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707762 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707764 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707770 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707771 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707775 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707777 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707784 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707787 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707793 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707796 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707804 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707807 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707810 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707811 KK Annotated Anodyne COc1cc(/C=C\C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707815 KK Annotated Anodyne COc1cc(/C=C\C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707817 KK Annotated Anodyne COc1cc(/C=C\C(=O)OC[C@@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707823 KK Annotated Anodyne COc1cc(/C=C\C(=O)OC[C@H]2COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO2)ccc1O ZINC000028707825 KK Annotated Anodyne Clc1nc(Cl)c2ncn(Cc3ccc(-c4ccc(Cn5cnc6c(Cl)nc(Cl)nc65)cc4)cc3)c2n1 ZINC000028708057 KK Annotated Anodyne O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(Br)cc1 ZINC000028708088 KK Annotated Reactive O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(Cl)cc1Cl ZINC000028708101 KK Annotated Reactive Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)c(I)c(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000028708307 KK Annotated Bother CCOP(=O)(OCC)O/N=C(\C)NCCCCCCCCCCCCN/C(C)=N/OP(=O)(OCC)OCC ZINC000028709049 KK Annotated Mild CC(=O)Oc1ccc2c([C@@H](C/C=C/C#CC(C)(C)C)S(=O)(=O)c3ccccc3)cc(=O)oc2c1OC(C)=O ZINC000028709395 KK Annotated Mild CC(=O)Oc1ccc2c([C@H](C/C=C/C#CC(C)(C)C)S(=O)(=O)c3ccccc3)cc(=O)oc2c1OC(C)=O ZINC000028709397 KK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000028709484 KK Annotated Mild CC[C@H](C)C(=O)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C(CC=C(C)C)=C2O ZINC000028709486 KK Annotated Mild COc1cc(C(=O)OC2=C(CC=C(C)C)C(=O)[C@@]3(C(=O)C(C)C)C(=O)[C@]2(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]3(C)CCC=C(C)C)cc(OC)c1OC ZINC000028709499 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C(CC=C(C)C)=C2OC(=O)c1cccnc1 ZINC000028709501 KK Annotated Mild COC1=C(CC=C(C)C)C(=O)[C@@]2(C(=O)C(C)C)C(=O)[C@]1(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C ZINC000028709503 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@](C)(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C2=O ZINC000028709505 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@](C)(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C2=O ZINC000028709507 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000028709509 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000028709511 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C2=O ZINC000028709515 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000028709517 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@@](Cl)(CC=C(C)C)C2=O ZINC000028709519 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@](Cl)(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C2=O ZINC000028709521 KK Annotated Anodyne CC(C)=C/C=C1/OC(=O)[C@@]2(CC=C(C)C)C[C@H](CC=C(C)C)[C@@](C)(CCC=C(C)C)[C@H](C(=O)C(C)C)C(=O)[C@@]12O ZINC000028709523 KK Annotated Anodyne CCOC(=O)c1ccc2[nH]c3c(C(F)(F)C(F)(F)C(F)(F)F)c4[nH]c5ccc(C(=O)OCC)cc5c4cc3c2c1 ZINC000028710100 KK Annotated Mild COc1ccc(Br)c(C(=O)NNc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 ZINC000028710107 KK Annotated Reactive Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c(CNC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)n2)cc1 ZINC000028710340 KK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c(CNC(=O)Nc3ncc(Br)s3)n2)cc1 ZINC000028710351 KK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1C/C=C/c1ccc(-c2c[nH]c(CNC(=O)Nc3ncc(Br)s3)n2)cc1 ZINC000028710352 KK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCCc1ccc(-c2c[nH]c(CNC(=O)Nc3ncc(Br)s3)n2)cc1 ZINC000028710353 KK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c(CNC(=O)Nc3ncc(Sc4ccccn4)s3)n2)cc1 ZINC000028710354 KK Annotated Anodyne Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1ccc(-c2c[nH]c(CNC(=O)Nc3ncc(S(C)(=O)=O)s3)n2)cc1 ZINC000028710356 KK Annotated Anodyne COc1c(NC(=O)c2cc3c(NC(=O)c4cccnc4)cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710595 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(N(C)C)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710602 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCCN(C)C)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710603 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCCN5CCOCC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710605 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710607 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NC5CC5)nc4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710608 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC5CC5)nc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710609 KK Annotated Anodyne COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc(NCC5CC5)nc4)c3n2C)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000028710610 KK Annotated Anodyne OCCNc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(NCCO)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1 ZINC000028710643 KK Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1N ZINC000028710754 KK Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1N ZINC000028710755 KK Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2ccc(CCC(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1N ZINC000028710759 KK Annotated Anodyne COc1cc(-c2ccc3c(c2)Nc2cc(C(C)(C)C(=O)Nc4ccc(N5CCOCC5)cc4)ccc2NC3=O)ccc1N ZINC000028710760 KK Annotated Anodyne CCCCc1ccc(C#Cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000028711158 KK Annotated Mild CCCCCc1ccc(C#Cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)[nH]c2=O)cc1 ZINC000028711159 KK Annotated Mild CCCCc1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000028711160 KK Annotated Anodyne CCCCCc1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000028711161 KK Annotated Anodyne CCCCCCc1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000028711162 KK Annotated Anodyne CCCCC[C@@H](O)c1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000028711163 KK Annotated Anodyne CCCCC[C@H](O)c1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000028711164 KK Annotated Anodyne C#CCCCc1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000028711165 KK Annotated Mild O=C1O/C(=C\Cn2cc3cc(CCc4ccccc4)oc3nc2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028711166 KK Annotated Anodyne O=C1O/C(=C\Cn2cc3cc(-c4ccc(Br)cc4)oc3nc2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000028711167 KK Annotated Anodyne Cc1ccc(-c2cc3cn(C/C=C4\OC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c(=O)nc3o2)cc1 ZINC000028711168 KK Annotated Anodyne CCCCc1ccc(-c2cc3cn(C/C=C4\OC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c(=O)nc3o2)cc1 ZINC000028711169 KK Annotated Anodyne CCCCCc1ccc(-c2cc3cn(C/C=C4\OC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c(=O)nc3o2)cc1 ZINC000028711170 KK Annotated Anodyne O=C(O)COc1c(C(=O)O)sc(-c2cccc(NCC3CCN(C(=O)Nc4ccccc4Cl)CC3)c2)c1Br ZINC000028711564 KK Annotated Anodyne Cc1ccccc1NC(=O)N1CCC(CNc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1 ZINC000028711566 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)N1CCC(CNc2cccc(-c3sc(C(=O)O)c(OCC(=O)O)c3Br)c2)CC1 ZINC000028711567 KK Annotated Anodyne COC(=O)c1cc(/C(=C\CCc2nnc(C)o2)c2cc(C)c(OC)c(C(=O)SC)c2)cc(C)c1OC ZINC000028711668 KK Annotated Anodyne COc1c(C)cc(C(=CCCc2nnc(C)o2)c2cc(C)c(OC)c(C(=O)SC)c2)cc1C(=O)SC ZINC000028711698 KK Annotated Anodyne COc1c(C)cc(C(=CCCCc2nnc(C)o2)c2cc(C)c(OC)c(C(=O)SC)c2)cc1C(=O)SC ZINC000028711716 KK Annotated Anodyne COc1c(C)cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc1C(=O)SC ZINC000028711717 KK Annotated Anodyne COc1c(C)cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3on(C)c(=O)c3c2)cc1C(=O)SC ZINC000028711718 KK Annotated Anodyne COc1c(C)cc(/C(=C/CCCc2nnc(C)o2)c2cc(C)c3oc(=O)n(C)c3c2)cc1C(=O)SC ZINC000028711721 KK Annotated Anodyne COc1c(C)cc(/C(=C/CCCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc1C(=O)SC ZINC000028711722 KK Annotated Anodyne COc1c(C)cc(/C(=C/CCCc2nnc(C)o2)c2cc(C)c3on(C)c(=O)c3c2)cc1C(=O)SC ZINC000028711723 KK Annotated Anodyne N=C(N)NCCCc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 ZINC000028711859 KK Annotated Anodyne O[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1 ZINC000028712105 KK Annotated Anodyne O[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1 ZINC000028712106 KK Annotated Anodyne Cn1cncc1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccccc1 ZINC000028712113 KK Annotated Anodyne Cn1cncc1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccccc1 ZINC000028712114 KK Annotated Anodyne Cn1cncc1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1 ZINC000028712115 KK Annotated Anodyne Cn1cncc1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1ccc(F)cc1 ZINC000028712116 KK Annotated Anodyne Cn1cncc1[C@@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1cccc(C#N)c1 ZINC000028712117 KK Annotated Mild Cn1cncc1[C@H](c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)n1ccnc1-c1cccc(C#N)c1 ZINC000028712118 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccc(C(=O)/C=C/c3cc4ccccc4nc3Cl)cc2)cc1 ZINC000028712229 KK Annotated Mild COc1ccc(/N=N/c2sc(N/N=C/C3=C(Cl)c4ccccc4CC3)nc2-c2ccccc2)cc1 ZINC000028712309 KK Annotated Mild COc1ccc(C2=C/C(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)C(=O)N2Cc2ccccc2)cc1 ZINC000028712358 KK Annotated Clean CSc1ccc(Cc2nn(CN3CCOCC3)c(=S)n2/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000028712449 KK Annotated Mild CSc1ccc(Cc2nn(CN3CCN(C)CC3)c(=S)n2/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000028712456 KK Annotated Mild O=c1cc(CNc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c2cc(Cl)ccc2[nH]1 ZINC000028712486 KK Annotated Anodyne O=c1cc(CNc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c2ccc(Cl)cc2[nH]1 ZINC000028712487 KK Annotated Anodyne O=c1cc(CNc2nc(-c3cc4cc(Br)cc(Br)c4oc3=O)cs2)c2cc(Cl)ccc2[nH]1 ZINC000028712489 KK Annotated Anodyne O=c1cc(CNc2nc(-c3cc4cc(Br)cc(Br)c4oc3=O)cs2)c2ccc(Cl)cc2[nH]1 ZINC000028712490 KK Annotated Anodyne Cc1cccc2c(CNc3nc(-c4cc5cc(Br)cc(Br)c5oc4=O)cs3)cc(=O)[nH]c12 ZINC000028712491 KK Annotated Anodyne C[N+](C)(C)[C@@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000028712529 KK Annotated Bother C[N+](C)(C)[C@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000028712530 KK Annotated Bother C[N+](C)(C)[C@@H]1CCCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000028712531 KK Annotated Bother C[N+](C)(C)[C@H]1CCCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000028712532 KK Annotated Bother Cc1cccc(C)c1-n1ccc(=O)c(OCCCCCOc2c(C)n(-c3c(C)cccc3C)ccc2=O)c1C ZINC000028712723 KK Annotated Anodyne Cc1cccc(-n2ccc(=O)c(OCCCCCOc3c(C)n(-c4cccc(C)c4C)ccc3=O)c2C)c1C ZINC000028712724 KK Annotated Anodyne Cc1c(OCCCCCOc2c(C)n(-c3ccc(F)cc3)ccc2=O)c(=O)ccn1-c1ccc(F)cc1 ZINC000028712729 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN1CCN(CCCN2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714051 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN1CCCN(CCCN2CCC[C@@H]3[C@H]4C=C(C)C[C@]32c2ccc(=O)[nH]c2C4)CC1 ZINC000028714052 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(CCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)C1CC1 ZINC000028714055 KK Annotated Anodyne CCCN(CCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3)CCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714056 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCCCCCN(C)CCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714080 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCN(C)CCCCCCCCN(C)CCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714084 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN(C)CCCCCCN(C)CCCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714089 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN(C)CCCCCCCCN(C)CCCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000028714092 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCN(C)Cc1ccccn1 ZINC000028714096 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1ccccn1 ZINC000028714099 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1cccnc1 ZINC000028714101 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1ccncc1 ZINC000028714102 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCCCN(C)Cc1ccccn1 ZINC000028714103 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCN(C)Cc1ccc(F)cc1 ZINC000028714106 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1ccc(F)cc1 ZINC000028714107 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCCCN(C)Cc1ccc(F)cc1 ZINC000028714108 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCN(C)Cc1cccc2ccccc12 ZINC000028714109 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCN(C)Cc1cccc2ccccc12 ZINC000028714110 KK Annotated Anodyne CCCCCO[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@@H](OC(=O)c4ccccc4)C[C@@](C)(O)[C@@]13OC2(C)C ZINC000028714489 KK Annotated Anodyne COc1cc(/C(O)=N/S(=O)(=O)c2ccccc2C)ccc1Cn1cc(C)c2ccc(C(=O)NC[C@@H](C)CC(F)(F)F)cc21 ZINC000028755803 KK Annotated Mild COc1cc(/C(O)=N/S(=O)(=O)c2ccccc2C)ccc1Cn1cc(C)c2ccc(C(=O)NC[C@H](C)CC(F)(F)F)cc21 ZINC000028755805 KK Annotated Mild COC1(OC)C=CC(C2(C3=CCC(OC)(OC)C=C3)Sc3ccc(C(F)(F)F)cc3-n3cccc32)=CC1 ZINC000028756498 KK Annotated Anodyne N=C(N)SCCOc1oc(=O)c2cc(NC(=O)NC(c3ccccc3)c3ccccc3)ccc2c1Cl ZINC000028758028 KK Annotated Anodyne COC1(OC)C=CC([C@@]2(C3=CC=CC(OC)(OC)C3)Sc3ccccc3-n3c(CN(C)C)ccc32)=CC1 ZINC000028758134 KK Annotated Clean COC1(OC)C=CC([C@]2(C3=CC=CC(OC)(OC)C3)Sc3ccccc3-n3c(CN(C)C)ccc32)=CC1 ZINC000028758137 KK Annotated Clean CCOC(=O)N1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(Nc4nc5cc(Cl)c(Cl)cc5[nH]4)n3)cc(-c3ccccc3)c2O)CC1 ZINC000028758565 KK Annotated Clean CCNCc1cc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)ccc1OC ZINC000028758569 KK Annotated Anodyne CCNCc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1OC ZINC000028758661 KK Annotated Anodyne CC(C)(C)OC(=O)N(CCOc1cccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1)c1ccncc1 ZINC000028758664 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028758701 KK Annotated Anodyne Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(OS(=O)(=O)c4ccc(C(=O)O)c(O)c4)cc3)cc2)c1C ZINC000028758747 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(c2cccc(OCCN(C(=O)OC(C)(C)C)c3ccncc3)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000028758806 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4c(Cc5ccccc5)sc5ccccc45)cc3)ccc2OCC(=O)O)c1OC ZINC000028758934 KK Annotated Anodyne CN1CCN(Cc2cc(Nc3nc(Nc4nc5cc(Cl)c(Cl)cc5[nH]4)nc4c3CCCC4)ccc2O)CC1 ZINC000028758978 KK Annotated Clean CCOc1ccc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)cc1CN(CC)CC ZINC000028759232 KK Annotated Anodyne CCOc1ccc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)cc1CN(CC)CC ZINC000028759368 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1OC ZINC000028759455 KK Annotated Anodyne CC(C)N1CCN(c2ccc(OC[C@H]3CC[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 ZINC000028759636 KK Annotated Clean CCN(CC)CCCCCCCNc1ccc2c3c(nn2CCN(CC)CC)-c2ccccc2C(=O)c13 ZINC000028759704 KK Annotated Clean CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)cc(-c2ccccc2)c1O ZINC000028759757 KK Annotated Clean CN1CCN(Cc2cc(Nc3cc(C(F)(F)F)nc(Nc4nc5cc(C(=O)c6ccccc6)ccc5[nH]4)n3)ccc2O)CC1 ZINC000028759800 KK Annotated Clean CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1OC ZINC000028759834 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)n2)ccc1O ZINC000028759872 KK Annotated Clean CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1c1cc(Cl)ccc1N[C@H]2c1c[nH]c2ccc(Br)cc12 ZINC000028760157 KK Annotated Anodyne CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000028760169 KK Annotated Clean CCN(CC)Cc1cc(Nc2cc(-c3ccccc3)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1O ZINC000028760313 KK Annotated Clean COc1ccc2c(c1)CCn1c(C)c(COC(=O)NC(=O)NC3CCCCC3)c(COC(=O)NC(=O)NC3CCCCC3)c1-2 ZINC000028760334 KK Annotated Anodyne O=c1n(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)cnn1C1CCCC1 ZINC000028760555 KK Annotated Clean CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](c3c[nH]c4ccc(Br)cc34)Nc3ccc(Cl)cc3[C@H]21 ZINC000028760637 KK Annotated Anodyne CCN(CC)Cc1cc(Nc2nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)nc3c2CCCC3)ccc1O ZINC000028760648 KK Annotated Clean CCOC(=O)c1csc(CO/N=C(\C)c2ccc(Sc3cc(F)cc(C4CCOCC4)c3)cc2)n1 ZINC000028761034 KK Annotated Mild CCN(CC)Cc1cc(Nc2cc(C(F)(F)F)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)ccc1O ZINC000028761524 KK Annotated Clean C/C(=N\OCCSc1nnc(C)s1)c1ccc(Sc2cc(F)cc(C3CCOCC3)c2)cc1 ZINC000028761980 KK Annotated Mild O=C(NCC(F)(F)F)C1(CCCCP(=O)(OCc2ccccn2)OCc2ccccn2)c2ccccc2-c2ccccc21 ZINC000028762381 KK Annotated Anodyne Cc1cccc(CCCOP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OCCCc2cccc(C)n2)n1 ZINC000028762515 KK Annotated Anodyne CCCCOP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCCCC ZINC000028762579 KK Annotated Anodyne C[n+]1c(-c2cccc(OCCCCCCCOc3cccc(-c4c5cc(N)ccc5c5ccc(N)cc5[n+]4C)c3)c2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000028762681 KK Annotated Bother CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[C@H](OC(=O)CCC(=O)O)C2 ZINC000028762762 KK Annotated Anodyne C1CCN(P2(N3CCCC3)=NP(N3CCCC3)(N3CCCC3)=NP(N3CCCC3)(N3CC3)=N2)C1 ZINC000028762818 KK Annotated Anodyne O=C(NCC(F)(F)F)C1(CCCCP(=O)(OCCc2ccccn2)OCCc2ccccn2)c2ccccc2-c2ccccc21 ZINC000028763134 KK Annotated Anodyne Oc1ccc2[nH]c3ccc4c[n+](CCN5CCC(C6CCN(CC[n+]7ccc8c(ccc9[nH]c%10ccc(O)cc%10c98)c7)CC6)CC5)ccc4c3c2c1 ZINC000028763161 KK Annotated Bother O=C(NCC(F)(F)F)C1(CCCCP(=O)(OCCCc2ccccn2)OCCCc2ccccn2)c2ccccc2-c2ccccc21 ZINC000028763340 KK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(-c3ccsc3)cs2)c1 ZINC000028763643 KK Annotated Mild CC(C)COP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCC(C)C ZINC000028763710 KK Annotated Anodyne CC(C)(C)COP(=O)(CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCC(C)(C)C ZINC000028763735 KK Annotated Anodyne CCCCOP(=O)(CCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCCCC ZINC000028763755 KK Annotated Anodyne CCCCOP(=O)(CCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)OCCCC ZINC000028763757 KK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(-c3ccsc3)s2)c1 ZINC000028763828 KK Annotated Mild Cc1c2cc[n+](CCN3CCC(C4CCN(CC[n+]5ccc6c(C)c7[nH]c8ccc(O)cc8c7c(C)c6c5)CC4)CC3)cc2c(C)c2c1[nH]c1ccc(O)cc12 ZINC000028763834 KK Annotated Bother O=C(NCC(F)(F)F)C1(CCCCP(=O)(OCc2ccncc2)OCc2ccncc2)c2ccccc2-c2ccccc21 ZINC000028763891 KK Annotated Anodyne O=C(NCC(F)(F)F)C1(CCCCP(=O)(OCc2cccnc2)OCc2cccnc2)c2ccccc2-c2ccccc21 ZINC000028763893 KK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C2CC2)S(=O)(=O)c2cccs2)c1 ZINC000028763944 KK Annotated Mild CCCN(CCOc1cccc(CN(CC)C/C=C/C#CC(C)(C)C)c1)S(=O)(=O)c1cccs1 ZINC000028764220 KK Annotated Mild Oc1ccc2[nH]c3ccc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8ccc9[nH]c%10ccc(O)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000028764360 KK Annotated Bother CCCCOP(=O)(CCCCC1(C(=O)NCCc2ccc(OC)cc2)c2ccccc2-c2ccccc21)OCCCC ZINC000028764580 KK Annotated Anodyne CCCCOP(=O)(CCCCC1(C(=O)NCc2ccccn2)c2ccccc2-c2ccccc21)OCCCC ZINC000028764582 KK Annotated Anodyne COc1ccc2c(c1)c1c3cc[n+](CCN4CCC(C5CCN(CC[n+]6ccc7c(ccc8c7c7cc(OC)ccc7n8C)c6)CC5)CC4)cc3ccc1n2C ZINC000028764766 KK Annotated Bother O=C(C[C@H]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1)NCc1ccncc1 ZINC000028764780 KK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(Br)cs2)c1 ZINC000028764789 KK Annotated Mild COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/NC(=S)Nc3ccc(Cl)cc3)c(C(=O)O)c1O)CC2 ZINC000028764968 KK Annotated Mild CCCCOP(=O)(CCCCC1(C(=O)NCCN2CCOCC2)c2ccccc2-c2ccccc21)OCCCC ZINC000028764984 KK Annotated Anodyne CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(Br)s2)c1 ZINC000028765000 KK Annotated Mild c1ccc2c(c1)[nH]c1ccc3cc[n+](CCN4CCC(C5CCN(CC[n+]6ccc7ccc8[nH]c9ccccc9c8c7c6)CC5)CC4)cc3c12 ZINC000028765155 KK Annotated Bother Cc1ccc(Cl)c2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12 ZINC000028765167 KK Annotated Bother Cc1ccc(C)c2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)ccc(C)c6nc45)cccc3nc12 ZINC000028765169 KK Annotated Bother O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1cc(Br)sc1Br ZINC000028765418 KK Annotated Clean CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000028765460 KK Annotated Mild COc1ccc(CNCc2cc3c(C)c(C)[nH]c(=O)c3c3c2nc(Nc2c(Cl)cccc2Cl)n3C)cc1 ZINC000028765501 KK Annotated Anodyne COc1ccc2[nH]c3ccc4cc[n+](CCN(C)CCCCCN(C)CC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)cc4c3c2c1 ZINC000028765575 KK Annotated Bother O=C(C[C@H]1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1)NCc1cccnc1 ZINC000028765918 KK Annotated Anodyne Cc1c(/C=C/CN(C)Cc2ccccc2)[nH]c(=O)c2c1ccc1nc(Nc3c(Cl)cccc3Cl)n(C)c12 ZINC000028765989 KK Annotated Anodyne Cc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6cc(C)ccc6nc45)cccc3nc2c1 ZINC000028766029 KK Annotated Bother Cc1ccc2nc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6ccc(C)cc6nc45)c3nc2c1 ZINC000028766115 KK Annotated Bother CCN(CCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CCc2cc(OC)ccc2C1 ZINC000028766555 KK Annotated Anodyne CCN(CCCCCCCCCCOC(=O)c1ccc(OC)c(OC)c1)[C@H]1CCc2cc(OC)ccc2C1 ZINC000028766557 KK Annotated Anodyne Cc1cccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5nc6c(C)cccc6nc45)cccc3nc12 ZINC000028766646 KK Annotated Bother CN(CCCNC(=O)c1c(Cl)ccc2nc3ccccc3nc12)CCCNC(=O)c1c(Cl)ccc2nc3ccccc3nc12 ZINC000028766679 KK Annotated Bother CN(CCCNC(=O)c1cccc2nc3cccc(F)c3nc12)CCCNC(=O)c1cccc2nc3cccc(F)c3nc12 ZINC000028766853 KK Annotated Bother COc1ccc(C2=CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028768363 KK Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@@H]2CS[C@@H](CCCCCO)[C@H]2N1Cc1cccc(Br)c1 ZINC000028768584 KK Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@@H]2[C@H](CCCCCO)SC[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768586 KK Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@@H]2CS[C@@H](CCCCCO)[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768588 KK Annotated Anodyne O=C1N(Cc2cccc(Br)c2)[C@H]2CS[C@@H](CCCCCO)[C@@H]2N1Cc1cccc(Br)c1 ZINC000028768590 KK Annotated Anodyne CCOc1cc(C(=O)OCCCCN(CC)[C@@H]2CCc3cc(OC)ccc3C2)cc(OCC)c1OCC ZINC000028768659 KK Annotated Anodyne CCOc1cc(C(=O)OCCCCN(CC)[C@H]2CCc3cc(OC)ccc3C2)cc(OCC)c1OCC ZINC000028768661 KK Annotated Anodyne Cc1cccc(C2(O)CCN(C(=O)c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)CC2)c1 ZINC000028768746 KK Annotated Anodyne O=C(O)CCCC[C@@H]1SC[C@@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769066 KK Annotated Anodyne O=C(O)CCCC[C@@H]1SC[C@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769068 KK Annotated Anodyne O=C(O)CCCC[C@@H]1SC[C@@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769070 KK Annotated Anodyne O=C(O)CCCC[C@@H]1SC[C@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769072 KK Annotated Anodyne COC(=O)CCCC[C@@H]1SC[C@@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769248 KK Annotated Anodyne COC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769249 KK Annotated Anodyne COC(=O)CCCC[C@@H]1SC[C@@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769251 KK Annotated Anodyne COC(=O)CCCC[C@@H]1SC[C@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1 ZINC000028769253 KK Annotated Anodyne CCOC(=O)CCCC/[N+]([O-])=C(/c1cccnc1)c1cccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000028769446 KK Annotated Mild CCOC(=O)CCCC/[N+]([O-])=C(/c1cccnc1)c1cccc(CN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000028769448 KK Annotated Mild CC(C)(C)OC(=O)c1ccc(OP(=O)(COCCOn2cnc3c(N)ncnc32)Oc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000028770442 KK Annotated Anodyne CCN(CC)C1CCC(Nc2nc(Nc3cc(Br)cc(Br)c3)nc3ccccc23)CC1 ZINC000028771569 KK Annotated Anodyne CCN(CC)C1CCC(Nc2nc(Nc3ccc(I)cc3)c3ccccc3n2)CC1 ZINC000028772073 KK Annotated Anodyne CN(CCCN(C)CCN1C(=O)c2cccc3c2c(cc2occc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2occc23)C1=O ZINC000028772228 KK Annotated Anodyne Cc1cc2c(cc1Cl)SC(N(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)=NS2(=O)=O ZINC000028814784 KK Annotated Anodyne Cc1cc2c(cc1Cl)SC(N(c1ccccc1Cl)S(=O)(=O)c1ccc(Br)s1)=NS2(=O)=O ZINC000028814798 KK Annotated Anodyne CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000028814814 KK Annotated Anodyne CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000028814824 KK Annotated Anodyne CCOC(=O)c1cc2c(cc1Cl)SC(N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl)=NS2(=O)=O ZINC000028814826 KK Annotated Anodyne O=C(Oc1cccc2cccnc12)c1cc2c(cc1Cl)SC(N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O ZINC000028814842 KK Annotated Anodyne Cn1cncc1CN1C[C@@H](N(CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815602 KK Annotated Mild Cn1cncc1CN1C[C@H](N(CC2CCN(C(=O)Nc3ccc(Br)cc3)CC2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21 ZINC000028815604 KK Annotated Mild Cn1cnc(CN2C[C@@H](N(CC3CCN(C(=O)OC(C)(C)C)CC3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816055 KK Annotated Anodyne Cn1cnc(CN2C[C@H](N(CC3CCN(C(=O)OC(C)(C)C)CC3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816057 KK Annotated Anodyne Cn1cnc(CN2C[C@@H](N(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816063 KK Annotated Anodyne Cn1cnc(CN2C[C@H](N(Cc3ccc(C(F)(F)F)o3)S(=O)(=O)c3cn(C)cn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816065 KK Annotated Anodyne Cn1cnc(CN2C[C@@H](N(CC3CCN(C(=O)OC(C)(C)C)CC3)S(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816089 KK Annotated Anodyne Cn1cnc(CN2C[C@H](N(CC3CCN(C(=O)OC(C)(C)C)CC3)S(=O)(=O)c3ccccn3)Cc3cc(-c4ccccc4)ccc32)c1 ZINC000028816090 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1c[n+](C)c2ncnc(NOCc3ccccc3)c21 ZINC000028816574 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1c[n+](CCC#N)c2ncnc(NOCc3ccccc3)c21 ZINC000028816588 KK Annotated Mild CONc1ncnc2c1n(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c[n+]2Cc1ccccc1 ZINC000028816590 KK Annotated Anodyne CONc1ncnc2c1n(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c[n+]2C(c1ccccc1)c1ccccc1 ZINC000028816592 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1c[n+](C(c2ccccc2)c2ccccc2)c2ncnc(NOCc3ccccc3)c21 ZINC000028816594 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(NOCc3ccccc3)c21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816610 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(NOCc3ccccc3)c21)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816612 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(NOCc3ccccc3)c21)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000028816614 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(NOCc3ccccc3)c21)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000028816616 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cn1cnc2ncnc(NOCc3ccccc3)c21 ZINC000028816829 KK Annotated Anodyne C=CCN[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N(CCC)c1cnc(N(CCC)C(=O)[C@H](Cc2c(C)cc(O)cc2C)NCC=C)c(O)n1 ZINC000028816966 KK Annotated Mild O=S(=O)(Cc1ccccc1Cn1c(CC(F)(F)F)nc2cc(Cl)c(Cl)cc21)c1ccccc1 ZINC000028817641 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1 ZINC000028817793 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21)NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1 ZINC000028817796 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000028817799 KK Annotated Anodyne O=C1C(Sc2ccc(Br)cc2)=C(Sc2ccc(Br)cc2)C(=O)c2[nH]ccc21 ZINC000028817985 KK Annotated Mild N#CC1(c2ccccc2OC(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1 ZINC000028819016 KK Annotated Mild Cc1ccc(-c2cc(C(F)(F)F)ccc2OCc2ccc(F)cc2)n1-c1cc(C(=O)O)cc(N2CCCS2(=O)=O)c1 ZINC000028819056 KK Annotated Clean O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccc(-c4ccccc4)cc3)cc3nc4ccccc4n3c12 ZINC000028819591 KK Annotated Clean O=C1c2ccccc2C(=O)N1Cc1c(O)ccc2c(/C=C/c3ccc(O)cc3)cc3nc4ccccc4n3c12 ZINC000028819631 KK Annotated Clean COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819769 KK Annotated Anodyne COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819771 KK Annotated Anodyne COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819773 KK Annotated Anodyne COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819775 KK Annotated Anodyne COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819777 KK Annotated Anodyne COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819779 KK Annotated Anodyne COC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2F)cc1 ZINC000028819783 KK Annotated Anodyne COC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2F)cc1 ZINC000028819785 KK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819787 KK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819788 KK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819789 KK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819790 KK Annotated Anodyne CCOC(=O)COc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819801 KK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SCc4ccccc4)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819805 KK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SCc4ccccc4)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819807 KK Annotated Anodyne CCOC(=O)COc1ccc(Oc2nc3c(c(SCc4ccccc4)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819814 KK Annotated Anodyne CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819816 KK Annotated Anodyne CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2)cc1 ZINC000028819818 KK Annotated Anodyne CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819825 KK Annotated Anodyne CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819827 KK Annotated Anodyne CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819831 KK Annotated Anodyne CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(SC)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819833 KK Annotated Anodyne CCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(=O)(=O)Cc4ccccc4)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819876 KK Annotated Anodyne CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(=O)(=O)Cc4ccccc4)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819878 KK Annotated Anodyne CCOC(=O)COc1ccc(Oc2nc3c(c(S(=O)(=O)Cc4ccccc4)nn3-c3ccccc3)c(=O)n2C(=O)Nc2cccc(C)c2)cc1 ZINC000028819881 KK Annotated Anodyne CCCOC(=O)[C@@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819887 KK Annotated Anodyne CCCOC(=O)[C@H](C)Oc1ccc(Oc2nc3c(c(S(C)(=O)=O)nn3-c3ccccc3)c(=O)n2C(=O)Nc2ccccc2Cl)cc1 ZINC000028819888 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)O3)cc1O ZINC000028820045 KK Annotated Anodyne in-vitro biogenic COc1cc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000028820053 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C2 ZINC000028820054 KK Annotated Anodyne CC(C)(CN1C(=O)c2cccc3cc(N)cc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O ZINC000028820413 KK Annotated Bother CC(C)(CN1C(=O)c2cccc3ccc(N)c(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O ZINC000028820416 KK Annotated Bother O=C(OCCc1c([C@H](c2cccc(Br)c2)c2c(O)c3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820911 KK Annotated Anodyne O=C(OCCc1c([C@@H](c2cccc(Br)c2)c2c(O)c3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820912 KK Annotated Anodyne COc1ccccc1C(=O)OCCc1c([C@@H](c2cccc(Br)c2)c2c(O)cc(C)oc2=O)[nH]c2ccccc12 ZINC000028820915 KK Annotated Anodyne COc1ccccc1C(=O)OCCc1c([C@H](c2cccc(Br)c2)c2c(O)cc(C)oc2=O)[nH]c2ccccc12 ZINC000028820916 KK Annotated Anodyne O=C(OCCc1c([C@H](c2cccc(F)c2)c2c(O)c3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820949 KK Annotated Anodyne O=C(OCCc1c([C@@H](c2cccc(F)c2)c2c(O)c3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820951 KK Annotated Anodyne O=C(OCCc1c([C@H](c2cccc(C(F)(F)F)c2)c2c(O)c3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820959 KK Annotated Anodyne O=C(OCCc1c([C@@H](c2cccc(C(F)(F)F)c2)c2c(O)c3ccccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820961 KK Annotated Anodyne O=C(OCCc1c([C@H](c2ccc(OC(F)(F)F)cc2)c2c(O)c3cc(Cl)ccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820989 KK Annotated Anodyne O=C(OCCc1c([C@@H](c2ccc(OC(F)(F)F)cc2)c2c(O)c3cc(Cl)ccc3oc2=O)[nH]c2ccccc12)c1ccccc1 ZINC000028820991 KK Annotated Anodyne CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(O)n2)c1O)C(=O)C1CCCCC1 ZINC000028821576 KK Annotated Mild CC(=O)N1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(O)n3)c2O)CC1 ZINC000028821578 KK Annotated Mild CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(O)n2)c1O)C(=O)CCN1CCCC1 ZINC000028821580 KK Annotated Mild CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(O)n2)c1O)C(=O)CCN1CCOCC1 ZINC000028821581 KK Annotated Mild COC1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(O)n3)c2O)CC1 ZINC000028821583 KK Annotated Mild CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(O)n2)c1O)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000028821585 KK Annotated Mild COCC(=O)N1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(O)n3)c2O)CC1 ZINC000028821588 KK Annotated Mild CCCC(=O)N1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(O)n3)c2O)CC1 ZINC000028821589 KK Annotated Mild CN(Cc1cc(Cl)cc(-c2cc(-c3cc(C(F)(F)F)ccc3Cl)c(C#N)c(O)n2)c1O)C(=O)C1CCN(C(=O)C2CCCCC2)CC1 ZINC000028821590 KK Annotated Mild CCCN1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(O)n3)c2O)CC1 ZINC000028821592 KK Annotated Mild CCCCCN1CCC(C(=O)N(C)Cc2cc(Cl)cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)c(C#N)c(O)n3)c2O)CC1 ZINC000028821594 KK Annotated Mild FC(F)(F)c1ccc2c(c1)N(Cc1ccc(CNc3cccc(Oc4ccccc4)c3)cc1)c1ccccc1S2 ZINC000028821671 KK Annotated Anodyne Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@@H](NC(=O)Oc1ccccc1F)C(C)C ZINC000028821688 KK Annotated Anodyne Cc1nc(-c2ccccc2)c(-c2ccccc2)n1CCCCC[C@H](NC(=O)Oc1ccccc1F)C(C)C ZINC000028821689 KK Annotated Anodyne CCO[C@H](Cc1ccc(CC[C@@H](OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O ZINC000028821999 KK Annotated Anodyne CCO[C@H](Cc1ccc(CC[C@H](OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O ZINC000028822000 KK Annotated Anodyne CCO[C@@H](Cc1ccc(CC[C@@H](OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O ZINC000028822003 KK Annotated Anodyne CCO[C@@H](Cc1ccc(CC[C@H](OC(=S)NCc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1)C(=O)O ZINC000028822004 KK Annotated Anodyne CC(C)C[C@@]1(C(=O)NC(C)C)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822186 KK Annotated Anodyne CC(C)C[C@@]1(C(=O)Nc2ccccc2)C[C@H](C(=O)O)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822187 KK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](/C(O)=N/S(=O)(=O)C(F)(F)F)[C@H](c2cccs2)N1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000028822191 KK Annotated Mild CC(C)C[C@@]1(C(=O)O)C[C@H](/C(O)=N/S(=O)(=O)c2ccccc2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822194 KK Annotated Mild CC(C)C[C@@]1(C(=O)O)C[C@H](/C(O)=N/S(=O)(=O)Cc2ccccc2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822196 KK Annotated Mild CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)NCc2ccccc2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822197 KK Annotated Anodyne CC(C)C[C@@]1(C(=O)O)C[C@H](C(=O)Nc2ccccc2)[C@H](c2nccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000028822198 KK Annotated Anodyne CC(=O)SCCCCCCCCCCCCCCCC(=O)NCCOC(=O)CC/C=C/CNC(=O)COc1ccc(-c2ccc(=O)n(C)c2)cc1 ZINC000028822208 KK Annotated Anodyne COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000028822234 KK Annotated Anodyne Fc1ccc(Br)cc1-c1nc(N(CCc2ccccc2)c2ccncc2)c2nccnc2n1 ZINC000028822263 KK Annotated Anodyne CCc1ccc(/C=C2\SC(N[C@H](/C(O)=N/S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccc(Cl)cc3Cl)=NC2=O)o1 ZINC000028822372 KK Annotated Mild O=C1C(c2cc(Cl)cc(Cl)c2)=C(c2cc[nH]n2)[C@]2(Cc3ccc(Br)cc3)CCCN12 ZINC000028822395 KK Annotated Anodyne CCN(CC)C/C=C\c1cnc(N)c2c(-c3ccc(NC(=O)c4cc5ccccc5n4C)c(OC)c3)csc12 ZINC000028822584 KK Annotated Anodyne CCN(CC)C/C=C/c1cnc(N)c2c(-c3ccc(NC(=O)c4cc5ccccc5n4C)c(OC)c3)csc12 ZINC000028822585 KK Annotated Anodyne COc1cc(-c2csc3c(/C=C/CNC4CCNCC4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C ZINC000028822594 KK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(C(F)(F)F)nn(C2CCCCC2)c1SCc1ccc(Cl)cc1 ZINC000028822814 KK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(C(F)(F)F)nn(-c2ccccc2)c1N1CCN(c2ccc(Cl)cc2)CC1 ZINC000028822816 KK Annotated Anodyne OC1=NC(=S)S/C1=C\c1c(-c2ccccc2)nn(C2CCCCC2)c1N1CCN(c2ncccn2)CC1 ZINC000028822837 KK Annotated Anodyne O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1CC[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O ZINC000028822890 KK Annotated Anodyne O[C@H]1[C@H](O)[C@@H](CN(CC2CCCCC2)CC2CCCCC2)O[C@@H]1/C=C/[C@H]1O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@@H](O)[C@@H]1O ZINC000028822892 KK Annotated Anodyne O=C1NC(=S)S[C@H]1Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccc(Cl)cc1 ZINC000028822903 KK Annotated Clean O=C1NC(=S)S[C@@H]1Cc1c(C(F)(F)F)nn(-c2ccccc2)c1SCc1ccc(Cl)cc1 ZINC000028822904 KK Annotated Clean O=S(=O)(CC#CCOc1ccccc1/N=N/c1ccccc1OCC#CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000028823083 KK Annotated Mild Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccc(N(C)C)cc3)o2)c2cccc(Cl)c2C)cc1 ZINC000028823344 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccccc3Cl)o2)c2cccc(Cl)c2C)cc1 ZINC000028823366 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3c(Cl)cccc3Cl)o2)c2cccc(Cl)c2C)cc1 ZINC000028823377 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(Cc2nnc(Cc3ccc(Cl)cc3Cl)o2)c2cccc(Cl)c2C)cc1 ZINC000028823378 KK Annotated Anodyne COc1ccc(Nc2nnc(CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823393 KK Annotated Anodyne COc1ccc(Nc2nnc(CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000028823394 KK Annotated Anodyne COc1ccc(NCc2nnc(CN(c3cccc(Cl)c3C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823398 KK Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(C(C)(C)C(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000028823593 KK Annotated Anodyne CC(C)(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccc(CCC(=O)O)cc2Cl)c(Cl)c1 ZINC000028823594 KK Annotated Anodyne CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)OCCN1CCCC1 ZINC000028823605 KK Annotated Mild CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)C(=O)O ZINC000028823620 KK Annotated Mild CC(C)(C#Cc1ccc(NC(=O)CSc2nnnn2-c2ccc(C3CC3)cc2Cl)c(Cl)c1)CC(=O)O ZINC000028823623 KK Annotated Mild CCCCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823741 KK Annotated Anodyne COc1cc2c(c(OCc3ccccc3)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823742 KK Annotated Anodyne COc1cc2c(c(OCc3ccc(F)cc3)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823743 KK Annotated Anodyne COc1cc2c(c(OCc3ccccc3F)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823744 KK Annotated Anodyne COc1cc2c(c(OCc3ccc(Cl)cc3)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OCC(C)C)N1C(=O)OCC(C)C ZINC000028823745 KK Annotated Anodyne COc1ccc(COc2c(OC)c(OC)cc3c2C(=O)[C@]2(OC)C=C[C@H]3N(C(=O)OCC(C)C)N2C(=O)OCC(C)C)cc1 ZINC000028823746 KK Annotated Anodyne CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2)S3)s1 ZINC000028823776 KK Annotated Anodyne Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccccc1)S2 ZINC000028823777 KK Annotated Reactive CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2Cl)S3)s1 ZINC000028823778 KK Annotated Anodyne Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccccc1Cl)S2 ZINC000028823779 KK Annotated Reactive CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2)S3)s1 ZINC000028823780 KK Annotated Anodyne Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccc(Cl)cc1)S2 ZINC000028823785 KK Annotated Reactive CC(=O)Nc1cc(C)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2cccc([N+](=O)[O-])c2)S3)s1 ZINC000028823786 KK Annotated Bother Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)S2 ZINC000028823787 KK Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2)S3)s1 ZINC000028823788 KK Annotated Anodyne O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2)S3)s1 ZINC000028823789 KK Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2Cl)S3)s1 ZINC000028823790 KK Annotated Anodyne O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2Cl)S3)s1 ZINC000028823791 KK Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2)S3)s1 ZINC000028823792 KK Annotated Anodyne O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2)S3)s1 ZINC000028823793 KK Annotated Reactive CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2cccc([N+](=O)[O-])c2)S3)s1 ZINC000028823794 KK Annotated Bother O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2cccc([N+](=O)[O-])c2)S3)s1 ZINC000028823795 KK Annotated Reactive Cc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(Cl)cc3Cl)N3CCCC3=O)CC2)c([C@H](CC(C)C)NC(=O)CCN(C)C)c1 ZINC000028823932 KK Annotated Anodyne C[C@H](c1nc(Cc2ccccc2)c(N2CCOCC2)o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 ZINC000028824131 KK Annotated Anodyne C[C@@H](c1nc(Cc2ccccc2)c(N2CCOCC2)o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 ZINC000028824132 KK Annotated Anodyne C[C@@H](N[C@@H](c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)cc(N(C)S(C)(=O)=O)c1)C(F)(F)F)c1ccc(F)cc1 ZINC000028824390 KK Annotated Anodyne C[C@@H](N[C@H](c1cc(-c2nnc([C@](C)(N)Cc3ccc(F)cc3)o2)cc(N(C)S(C)(=O)=O)c1)C(F)(F)F)c1ccc(F)cc1 ZINC000028824391 KK Annotated Anodyne O=C(Nc1cccc(F)c1)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1 ZINC000028824660 KK Annotated Anodyne N#Cc1ccc(CN2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)cc1 ZINC000028824664 KK Annotated Mild Cc1cc2nccc(N3CCC(c4nc(C(=O)Nc5nc6cc(C(=O)c7ccccc7)ccc6[nH]5)cs4)CC3)n2n1 ZINC000028824697 KK Annotated Anodyne Cc1cnc(C(=O)N2C[C@H](c3ccc(F)cc3C)[C@@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)cn1 ZINC000028824704 KK Annotated Mild CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3C)[C@@H](c3nc(C(C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)no3)C2)CC1 ZINC000028824705 KK Annotated Mild CC(=O)N1CCC(C(=O)N2C[C@@H](c3nc(C(C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)no3)[C@H](c3ccc(F)cc3C)C2)CC1 ZINC000028824707 KK Annotated Mild CC(=O)N1CCC(C(=O)N2C[C@H](c3ccc(F)cc3C)[C@@H](c3noc(C(C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)C2)CC1 ZINC000028824708 KK Annotated Mild CC(=O)N1CCC(C(=O)N2C[C@@H](c3noc(C(C)(C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)[C@H](c3ccc(F)cc3C)C2)CC1 ZINC000028824709 KK Annotated Mild O=C(c1ccsc1)c1ccc2[nH]c(NC(=O)c3csc(C4CCN(c5ncnc6ccsc56)CC4)n3)nc2c1 ZINC000028824714 KK Annotated Anodyne Cc1[nH]c2ccccc2c1C1CCN([C@H](C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000028824841 KK Annotated Anodyne Cc1[nH]c2ccccc2c1C1CCN([C@@H](C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000028824842 KK Annotated Anodyne CN(C)CCCCCN(C)C1=Nc2ccccc2[C@@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028824857 KK Annotated Anodyne in-vivo CN(C)CCCCCN(C)C1=Nc2ccccc2[C@H](CC(=O)NCc2ccccc2)N1c1ccc(-c2ccccc2)cc1 ZINC000028824858 KK Annotated Anodyne in-vivo NCCCCCCN(CCc1ccc(Cl)cc1Cl)CC(=O)N(CCc1ccc(Cl)cc1Cl)CC(N)=O ZINC000028824976 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(C)/C=C/C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825499 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(C)\C=C\C=C(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825500 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)[C@H]([C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825503 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)[C@@H]([C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825504 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)[C@H]([C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825505 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)[C@@H]([C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 ZINC000028825506 KK Annotated Anodyne COC(=O)c1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 ZINC000028825986 KK Annotated Anodyne Cc1ccccc1CN(C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12)C1CCC(CC2CCC(N)CC2)CC1 ZINC000028825992 KK Annotated Anodyne Cc1ccc(CN(C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1 ZINC000028825998 KK Annotated Anodyne CC(=O)c1ccc(Oc2ccc(-c3scc(-c4ccccc4Cl)c3CC(=O)N=C(N)N)cc2)cc1 ZINC000028826079 KK Annotated Mild CCC(CC)NC(=O)c1ccc(-c2scc(-c3ccccc3Cl)c2CC(=O)/N=C(/N)NCCCO)cc1 ZINC000028826092 KK Annotated Mild Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@@]3(C4CCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028826116 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@@]3(C4CCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028826117 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@@](O)(C[C@]3(C4CCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028826118 KK Annotated Anodyne Cc1noc(=O)c2ccc(NC(=O)[C@](O)(C[C@]3(C4CCCC4)CCCc4ccccc43)C(F)(F)F)cc12 ZINC000028826119 KK Annotated Anodyne COc1cc2c(cc1OCCCCCN1CCN(C3=NS(=O)(=O)c4ccccc4N3c3ccccc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000028826335 KK Annotated Anodyne O[C@H]1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826467 KK Annotated Anodyne O[C@@H]1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)N2CCC1CC2 ZINC000028826468 KK Annotated Anodyne C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc([C@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000028826594 KK Annotated Mild C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc([C@@]2(CCCCCC)CC2(Br)Br)cc1O ZINC000028826595 KK Annotated Mild NC1CCC(CC2CCC(N(C/C(Cl)=C/c3ccccc3)C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)CC2)CC1 ZINC000028826858 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(c2ccccc2)=C(c2ccccc2)S3)s1 ZINC000028826985 KK Annotated Anodyne O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(c2ccccc2)=C(c2ccccc2)S3)s1 ZINC000028826986 KK Annotated Reactive CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827053 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827054 KK Annotated Anodyne CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827057 KK Annotated Anodyne CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2[C@H]1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1 ZINC000028827058 KK Annotated Anodyne CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@@H](C)CCCC(C)(C)OC)s1 ZINC000028827355 KK Annotated Anodyne CCC[C@H](NC(=O)CCc1cc(F)cc(F)c1)C(=O)Nc1ncc([C@H](C)CCCC(C)(C)OC)s1 ZINC000028827356 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1 ZINC000028827367 KK Annotated Anodyne Cc1ccc[n+](CCCC#Cc2cc(C#CCCC[n+]3cccc(C)c3)cc(C#CCCC[n+]3cccc(C)c3)c2)c1 ZINC000028861850 KK Annotated Mild Cc1cccc[n+]1CCCCCc1cc(CCCCC[n+]2ccccc2C)cc(CCCCC[n+]2ccccc2C)c1 ZINC000028861863 KK Annotated Anodyne COC(=O)[C@@H]1CCCN1Cc1cc2ccccc2c(-c2c(O)c(CN3CCC[C@H]3C(=O)OC)cc3ccccc23)c1O ZINC000028861950 KK Annotated Clean O=C(O)[C@@H]1CCCN1Cc1cc2ccccc2c(-c2c(O)c(CN3CCC[C@H]3C(=O)O)cc3ccccc23)c1O ZINC000028861952 KK Annotated Clean COC(=O)[C@@H](NCc1cc2ccccc2c(-c2c(O)c(CN[C@H](C(=O)OC)C(C)C)cc3ccccc23)c1O)C(C)C ZINC000028861956 KK Annotated Clean COCOc1ccc(C(C)(C)c2ccc(OCCCCOc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2)cc1 ZINC000028862002 KK Annotated Anodyne COC(=O)/C=C/c1cc(-c2c(C)cc(OC)c3c(OC)cccc23)c(OCc2ccccc2)c2c1C[C@@H](C)N(Cc1ccccc1)[C@@H]2C ZINC000028862011 KK Annotated Anodyne CCCN1/C(=C/C=C2\CCC/C(=C\C=C3\N(CCC)c4ccccc4C3(C)C)C2=O)C(C)(C)c2ccccc21 ZINC000028862143 KK Annotated Mild CCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCC)c4ccccc4C3(C)C)=C2OC(C)=O)C(C)(C)c2ccccc21 ZINC000028862144 KK Annotated Anodyne CCCCc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)cc1 ZINC000028862659 KK Annotated Mild CCCCc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)cc1 ZINC000028862661 KK Annotated Mild O[C@@H](CN(Cc1cccc(-c2cccc(C(F)(F)F)n2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000028862701 KK Annotated Anodyne O[C@H](CN(Cc1cccc(-c2cccc(C(F)(F)F)n2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F ZINC000028862703 KK Annotated Anodyne Cc1cc(C)cc(Oc2cccc(CN(C[C@@H](O)C(F)(F)F)c3cccc(Oc4ccccc4)c3)c2)c1 ZINC000028862759 KK Annotated Anodyne Cc1cc(C)cc(Oc2cccc(CN(C[C@H](O)C(F)(F)F)c3cccc(Oc4ccccc4)c3)c2)c1 ZINC000028862761 KK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863195 KK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863197 KK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863199 KK Annotated Anodyne O=C(O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000028863201 KK Annotated Anodyne CC(=O)Oc1c(C(=O)Nc2ccc(SC(F)(F)F)cc2)cc2cc(Br)ccc2c1Br ZINC000028863543 KK Annotated Anodyne Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3CC3CCCCC3)C2)sc2ccccc12 ZINC000028864157 KK Annotated Anodyne Cc1c(CN2CCc3c(c(=O)n(CCN(C)CCc4ccccn4)c(=O)n3Cc3c(F)cccc3C(F)(F)F)C2)sc2ccccc12 ZINC000028864164 KK Annotated Anodyne Cc1ccc(CN2CCc3c(c(=O)n(C[C@@H]4CCCCN4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864189 KK Annotated Anodyne Cc1ccc(CN2CCc3c(c(=O)n(C[C@H]4CCCCN4C4CCCC4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864191 KK Annotated Anodyne Cc1ccc(CN2CCc3c(c(=O)n(C[C@@H]4CCCCN4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864194 KK Annotated Anodyne Cc1ccc(CN2CCc3c(c(=O)n(C[C@H]4CCCCN4Cc4ccccc4)c(=O)n3Cc3c(F)cccc3F)C2)c(C)c1 ZINC000028864197 KK Annotated Anodyne O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@H]1CCCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864204 KK Annotated Anodyne O=c1c2c(n(Cc3c(F)cccc3F)c(=O)n1C[C@@H]1CCCCN1CCc1ccccn1)CCN(Cc1ccc(Cl)cc1)C2 ZINC000028864207 KK Annotated Anodyne CC(C)CCc1sc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cnc5ccccc5c4)cc3)cn2C)nc1C(=O)NCCN1CCOCC1 ZINC000028864851 KK Annotated Anodyne CC(C)CCc1sc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4ccc5ccccc5n4)cc3)cn2C)nc1C(=O)NCCN1CCOCC1 ZINC000028864882 KK Annotated Anodyne Nc1ccc(-c2ccccc2)c[n+]1CCCc1ccc(CCC[n+]2cc(-c3ccccc3)ccc2N)cc1 ZINC000028865314 KK Annotated Anodyne O=C(/C=C/C(=O)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(Cl)cc1 ZINC000028865324 KK Annotated Mild Cc1ccc(NC(=O)/C=C/C(=O)N2C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C2)cc1C ZINC000028865338 KK Annotated Mild Cc1cccc(C)c1NC(=O)/C=C/C(=O)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000028865358 KK Annotated Mild N=c1ncc(-c2ccccc2)cn1CCCCCCCCCCCCn1cc(-c2ccccc2)cnc1=N ZINC000028865366 KK Annotated Anodyne N=c1sc(-c2ccccc2)nn1CCCCCCCCCCCCn1nc(-c2ccccc2)sc1=N ZINC000028865370 KK Annotated Anodyne N=c1sc(-c2cccs2)nn1CCCCCCCCCCCCn1nc(-c2cccs2)sc1=N ZINC000028865372 KK Annotated Anodyne N=c1sc(-c2cccc(Cl)c2)nn1CCCCCCCCCCCCn1nc(-c2cccc(Cl)c2)sc1=N ZINC000028865375 KK Annotated Anodyne Cc1ccc(-c2nn(CCCCCCCCCCCCn3nc(-c4ccc(C)cc4)sc3=N)c(=N)s2)cc1 ZINC000028865381 KK Annotated Anodyne N=c1cc2ccc3ccccc3c2nn1CCCCCCCCCCCCn1nc2c(ccc3ccccc32)cc1=N ZINC000028865424 KK Annotated Bother COc1ccccc1[C@H](c1cccc2ccccc12)[C@@](C)(C#N)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000028865749 KK Annotated Mild O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000028867399 KK Annotated Bother O=C(O)c1cn(-c2ccc(F)cc2)c2nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])cc2c1=O ZINC000028867402 KK Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)nc21 ZINC000028867414 KK Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)nc21 ZINC000028867417 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)cc1 ZINC000028868388 KK Annotated Bother COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)cc1 ZINC000028868392 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)cc1 ZINC000028868395 KK Annotated Bother COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)cc1 ZINC000028868399 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)cc1 ZINC000028868402 KK Annotated Bother COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)cc1 ZINC000028868405 KK Annotated Bother Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc3c(C)c(O)ccc23)cc1 ZINC000028868744 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc3c(-c4ccc(Cl)cc4)c(NC(=O)c4ccc5c(c4)CCC(C)(C)O5)c(=O)oc3c2C)cc1 ZINC000028868758 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(c1)C(=O)c1cc(CC[C@@H]3C(=C)CC[C@H]4[C@@]3(C)CCC[C@@]4(C)C(=O)OC)ccc1C2=O ZINC000028869904 KK Annotated Mild C=C1[C@H](O)C[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028869937 KK Annotated Mild C=C1[C@H](O)C[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OCc3ccccc3)ccc(OCc3ccccc3)c2c1 ZINC000028869944 KK Annotated Mild C=C1C(=O)C[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 ZINC000028869967 KK Annotated Mild C=C1C(=O)C[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccc2c(OCc3ccccc3)ccc(OCc3ccccc3)c2c1 ZINC000028869996 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)=C(C)C(=O)C[C@@H]12 ZINC000028870010 KK Annotated Mild COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCc3ccc4c(OC(C)=O)ccc(OC(C)=O)c4c3)=C(C)[C@@H](O)C[C@@H]12 ZINC000028870017 KK Annotated Anodyne COc1cc(C(=N)NC(C)C)cc2cc(CCCCCc3cc4cc(C(=N)NC(C)C)cc(OC)c4o3)oc12 ZINC000028870153 KK Annotated Anodyne C[C@@H](CC(=O)N[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N(C)[C@H](C)c1nccs1)C(Cl)(Cl)Cl ZINC000028870939 KK Annotated Anodyne in-vivo N#Cc1c(N)nc2c(c1-c1cccc(NC(=O)Nc3cccc(-c4c(C#N)c(N)nc5c4C(=O)CCC5)c3)c1)C(=O)CCC2 ZINC000028871962 KK Annotated Mild O=C(SC[C@@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCOCC1)CN1C=CC=CC=C1)N1CCOCC1 ZINC000028872748 KK Annotated Reactive O=C(SC[C@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCOCC1)CN1C=CC=CC=C1)N1CCOCC1 ZINC000028872754 KK Annotated Reactive O=C(SC[C@H](CN1C=CC=CC=C1)SS[C@H](CSC(=O)N1CCOCC1)CN1C=CC=CC=C1)N1CCOCC1 ZINC000028872761 KK Annotated Reactive O=C(SC[C@@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCCC1)CN1C=CC=CC=C1)N1CCCC1 ZINC000028872822 KK Annotated Reactive O=C(SC[C@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCCC1)CN1C=CC=CC=C1)N1CCCC1 ZINC000028872828 KK Annotated Reactive O=C(SC[C@H](CN1C=CC=CC=C1)SS[C@H](CSC(=O)N1CCCC1)CN1C=CC=CC=C1)N1CCCC1 ZINC000028872838 KK Annotated Reactive O=C(SC[C@@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCC1)N1CCCC1 ZINC000028872844 KK Annotated Reactive O=C(SC[C@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCC1)N1CCCC1 ZINC000028872849 KK Annotated Reactive O=C(SC[C@H](CN1CCCC1)SS[C@H](CSC(=O)N1CCCC1)CN1CCCC1)N1CCCC1 ZINC000028872859 KK Annotated Reactive O=C(SC[C@@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCC1)N1CCCCC1 ZINC000028872866 KK Annotated Reactive O=C(SC[C@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCC1)N1CCCCC1 ZINC000028872872 KK Annotated Reactive O=C(SC[C@H](CN1CCCC1)SS[C@H](CSC(=O)N1CCCCC1)CN1CCCC1)N1CCCCC1 ZINC000028872881 KK Annotated Reactive O=C(SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCCC1)N1CCCC1 ZINC000028872913 KK Annotated Reactive O=C(SC[C@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCCC1)N1CCCC1 ZINC000028872920 KK Annotated Reactive O=C(SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N1CCCC1)CN1CCCCC1)N1CCCC1 ZINC000028872929 KK Annotated Reactive CCN(C)C(=O)SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N(C)CC)CN1CCCCC1 ZINC000028872935 KK Annotated Reactive CCN(C)C(=O)SC[C@H](CN1CCCCC1)SS[C@@H](CSC(=O)N(C)CC)CN1CCCCC1 ZINC000028872940 KK Annotated Reactive CCN(C)C(=O)SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N(C)CC)CN1CCCCC1 ZINC000028872947 KK Annotated Reactive CCN(CC)C(=O)SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N(CC)CC)CN1CCCCC1 ZINC000028872973 KK Annotated Reactive CCN(CC)C(=O)SC[C@H](CN1CCCCC1)SS[C@@H](CSC(=O)N(CC)CC)CN1CCCCC1 ZINC000028872975 KK Annotated Reactive CCN(CC)C(=O)SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N(CC)CC)CN1CCCCC1 ZINC000028872985 KK Annotated Reactive O=C(SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCCC1)N1CCCCC1 ZINC000028873061 KK Annotated Reactive O=C(SC[C@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCCC1)N1CCCCC1 ZINC000028873066 KK Annotated Reactive O=C(SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N1CCCCC1)CN1CCCCC1)N1CCCCC1 ZINC000028873075 KK Annotated Reactive O=c1c2cc(Br)ccc2nc(CN/N=C/c2ccccc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873430 KK Annotated Mild O=c1c2cc(Br)ccc2nc(CN/N=C/c2ccccc2Cl)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873450 KK Annotated Mild O=c1c2cc(Br)ccc2nc(CN/N=C/c2ccc(Cl)cc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873462 KK Annotated Mild COc1ccccc1/C=N/NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873471 KK Annotated Mild COc1ccc(/C=N/NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873479 KK Annotated Mild CN(C)c1ccc(/C=N/NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873484 KK Annotated Mild O=c1c2cc(Br)ccc2nc(CN/N=C/c2ccc(O)cc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873489 KK Annotated Mild Cc1ccc(/C=N/NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873494 KK Annotated Mild O=C1[C@H](Cl)[C@@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873499 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873504 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873509 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873514 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873520 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873525 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873530 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873535 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873540 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873546 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873551 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873556 KK Annotated Reactive COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873561 KK Annotated Reactive COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873566 KK Annotated Reactive COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873570 KK Annotated Reactive COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873576 KK Annotated Reactive CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@@H](O)C#CCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873607 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@H](O)C#CCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873611 KK Annotated Mild CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873623 KK Annotated Reactive CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873628 KK Annotated Reactive CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873634 KK Annotated Reactive CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873639 KK Annotated Reactive CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@@H](O)C#CCOCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873644 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@H](O)C#CCOCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873648 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@@H](O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873651 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@H](O)C#CCOCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873655 KK Annotated Mild O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873660 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873665 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873670 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873675 KK Annotated Reactive CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@@H](O)C#CCOCCCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873681 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@H](O)C#CCOCCCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873686 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@@H](O)C#CCOCCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873691 KK Annotated Mild CCCCOc1ccc(Sc2ccc(-c3ccccc3[C@H](O)C#CCOCCCCCCCCCCCO)cc2S(=O)(=O)O)cc1 ZINC000028873694 KK Annotated Mild Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873699 KK Annotated Reactive Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873705 KK Annotated Reactive Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873709 KK Annotated Reactive Cc1ccc([C@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873713 KK Annotated Reactive O=C1CS[C@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873747 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873754 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873764 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873770 KK Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873776 KK Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873781 KK Annotated Anodyne COc1ccccc1[C@@H]1SCC(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873786 KK Annotated Anodyne COc1ccccc1[C@H]1SCC(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873791 KK Annotated Anodyne CN(C)c1ccc([C@@H]2SCC(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873808 KK Annotated Clean CN(C)c1ccc([C@H]2SCC(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873812 KK Annotated Clean O=C1CS[C@@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873817 KK Annotated Anodyne O=C1CS[C@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000028873823 KK Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873828 KK Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000028873833 KK Annotated Anodyne COc1ccc(C)c(O[C@@H](CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1 ZINC000028874789 KK Annotated Anodyne COc1ccc(C)c(O[C@H](CCN2CCC(n3c(=O)n(CCSC)c4ccccc43)CC2)C(C)C)c1 ZINC000028874794 KK Annotated Anodyne O=C(C1=C(N[C@@H](Cc2ccc(OCCOc3cccc4[nH]c5ccccc5c34)cc2)C(=O)O)CCCC1)c1ccccc1 ZINC000028875081 KK Annotated Mild C[C@H](CO)NC(=O)CCC/C=C\C/C=C\CCOc1cccc(C(C)(C)CCCCBr)c1 ZINC000028875827 KK Annotated Reactive CC(C)N(CCCCOC/C(O)=N/S(=O)(=O)C(C)C)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028875879 KK Annotated Mild CC(C)N(CCCCOC/C(O)=N/S(=O)(=O)C(F)(F)F)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028875885 KK Annotated Mild CC(C)N(CCCCOC/C(O)=N/S(=O)(=O)c1ccccc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028875890 KK Annotated Mild CC(C)N(CCCCOC/C(O)=N/S(=O)(=O)c1cccs1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000028875895 KK Annotated Mild Cc1cc(C2=CC(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)=NS(=O)(=O)N2Cc2ccccc2)ccc1Cl ZINC000028876240 KK Annotated Anodyne Cc1cc(C2=CC(C(=O)N[C@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)=NS(=O)(=O)N2Cc2ccccc2)ccc1Cl ZINC000028876245 KK Annotated Anodyne CC1(C)[C@@H](NC(=O)C2=NS(=O)(=O)N(Cc3ccccc3)C(c3ccc(Cl)cc3)=C2)[C@@]2(C)CC[C@@H]1C2 ZINC000028876352 KK Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)C1=NS(=O)(=O)N(Cc2ccccc2)C(c2ccc(Cl)cc2)=C1 ZINC000028876356 KK Annotated Anodyne CC1(C)[C@@H](NC(=O)C2=NS(=O)(=O)N(Cc3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)=C2)[C@@]2(C)CC[C@@H]1C2 ZINC000028876361 KK Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)C1=NS(=O)(=O)N(Cc2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)=C1 ZINC000028876366 KK Annotated Anodyne CCN(CC)CCN1C(=O)[C@@](O)(c2ccc3ccccc3c2)c2c1cc(C#CCCC(=O)N(C)C)cc2C(F)(F)F ZINC000028876826 KK Annotated Mild Cc1c(C)c2c(c(C)c1OCc1c(S(=O)(=O)c3ccccc3)no[n+]1[O-])CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000028876971 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1c(S(=O)(=O)c3ccccc3)no[n+]1[O-])CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000028876978 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1c(S(=O)(=O)c3ccccc3)no[n+]1[O-])CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000028876985 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1c(S(=O)(=O)c3ccccc3)no[n+]1[O-])CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000028876992 KK Annotated Anodyne CC[n+]1c2ccnc(NCCCNCCCNc3nccc4c3c(C)c3c5cc(OC)ccc5[nH]c3[n+]4CC)c2c(C)c2c3cc(OC)ccc3[nH]c21 ZINC000028878653 KK Annotated Bother CN1C(=O)OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2cc(Nc3cccc(Cl)c3)ccc21 ZINC000028878710 KK Annotated Anodyne COC(=O)/C=C/COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)C(=O)OC)c2c1 ZINC000028879872 KK Annotated Anodyne O=C(O)/C=C/COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)C(=O)O)c2c1 ZINC000028879879 KK Annotated Anodyne CCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)CCC2)cc1 ZINC000028879922 KK Annotated Anodyne O=C(O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)CCC2)cc1 ZINC000028879930 KK Annotated Anodyne CCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)CCCC2)cc1 ZINC000028879937 KK Annotated Anodyne O=C(O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(-c5ccc(F)cc5)nc4c3)CCCC2)cc1 ZINC000028879944 KK Annotated Anodyne CCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(C5CCCCC5)c(-c5ccc(F)cc5)nc4c3)CCC2)cc1 ZINC000028880190 KK Annotated Anodyne CCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4nc(-c5ccc(F)cc5)c(C5CCCCC5)nc4c3)CCC2)cc1 ZINC000028880196 KK Annotated Anodyne C[C@H]1CC(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000028880838 KK Annotated Anodyne C[C@H]1CC(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@@H]1C ZINC000028880845 KK Annotated Anodyne C[C@H]1CC(N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000028880851 KK Annotated Anodyne C[C@H]1CC(N2CCN([C@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@@H]1C ZINC000028880859 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(I)cc1O ZINC000028881482 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Cl)c1O ZINC000028881490 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Cl)c1O ZINC000028881495 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(Cl)cc1O ZINC000028881526 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(Cl)cc1O ZINC000028881532 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(Br)cc1O ZINC000028881539 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(Br)cc1O ZINC000028881544 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(I)cc1O ZINC000028881550 KK Annotated Anodyne COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)c(I)cc1O ZINC000028881555 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)c(Cl)cc1O ZINC000028881667 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)c(Cl)cc1O ZINC000028881672 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)c(Br)cc1O ZINC000028881677 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)c(Br)cc1O ZINC000028881682 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)c(I)cc1O ZINC000028881688 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)c(I)cc1O ZINC000028881692 KK Annotated Anodyne O=C1C(Sc2ccc(Br)cc2)=C(Sc2ccc(Br)cc2)C(=O)c2cnncc21 ZINC000028881775 KK Annotated Mild COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1O ZINC000028881807 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1O ZINC000028881813 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1O ZINC000028881820 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1O ZINC000028881825 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1O ZINC000028881832 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1O ZINC000028881839 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Cl)cc1O ZINC000028881844 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Cl)cc1O ZINC000028881850 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Br)cc1O ZINC000028881854 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Br)cc1O ZINC000028881859 KK Annotated Anodyne COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(I)cc1O ZINC000028881864 KK Annotated Anodyne COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(I)cc1O ZINC000028881870 KK Annotated Anodyne CC(C)c1cc(C(C)C)c(S(=O)(=O)n2c3ccccc3c3ccc(OCC(=O)O)cc32)c(C(C)C)c1 ZINC000028883053 KK Annotated Anodyne CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Oc2cc3ccccc3cc2C(=O)Oc2cc3ccccc3cc2C(=O)O)cc1 ZINC000028887044 KK Annotated Anodyne CCN(CC)CCC[C@@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887216 KK Annotated Anodyne CCN(CC)CCC[C@H](C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 ZINC000028887221 KK Annotated Anodyne CCN(CC)CCC[C@@H](NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C ZINC000028887357 KK Annotated Anodyne CCN(CC)CCC[C@H](NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C ZINC000028887363 KK Annotated Anodyne CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCNCC2)CC1 ZINC000028889632 KK Annotated Anodyne CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2=C(F)CNCC2)CC1 ZINC000028889677 KK Annotated Anodyne CN1CCN(C(=O)c2cc(Oc3ccc(Cl)cc3)c3c(c2)c2ccccc2n3CC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000028889686 KK Annotated Anodyne CN(C)CCNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F ZINC000028889940 KK Annotated Anodyne CN(C)CCN(C)C(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F ZINC000028889950 KK Annotated Anodyne CCN1CCC[C@@H]1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F ZINC000028889967 KK Annotated Anodyne CCN1CCC[C@H]1CNC(=O)c1cc(Oc2ccc(Cl)cc2)c2c(c1)c1ccccc1n2C[C@@H]1CCNC[C@H]1F ZINC000028889973 KK Annotated Anodyne CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(O)c(Sc2ccccc2)c(Sc2ccccc2)c1O ZINC000028892155 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2[nH]c(C(=O)NCCCCCCNc3nsc4nc5ccccc5n34)cc2c1 ZINC000028896261 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCCCCCNc1nsc3nc4ccccc4n13)n2C ZINC000028896266 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2oc(C(=O)NCCCCCCNc3nsc4nc5ccccc5n34)cc2c1 ZINC000028896272 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2sc(C(=O)NCCCCCCNc3nsc4nc5ccccc5n34)cc2c1 ZINC000028896277 KK Annotated Anodyne O=C(NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)OCc1ccccc1 ZINC000028897165 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)C(=O)OC(C)(C)C ZINC000028897229 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1)C(=O)OC(C)(C)C ZINC000028897234 KK Annotated Anodyne CC[C@@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@H](C)CC)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](CC2CCCCC2)C(=O)O[C@H](C(C)C)C(=O)N1C ZINC000028897403 KK Annotated Anodyne Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccn2)n1C ZINC000028897645 KK Annotated Anodyne Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(C2CCCCC2)n1C ZINC000028897654 KK Annotated Anodyne Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2cnccc2Cl)n1C ZINC000028897798 KK Annotated Anodyne C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2NC2CC2)cc1 ZINC000028898877 KK Annotated Anodyne C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)C(C)C)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028899956 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028899973 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)CCC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900030 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)CCCC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900034 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)c4ccccc4)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900052 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900066 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(=O)/C=C/c3ccccc3)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900091 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900105 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](O)C3=C(C)C[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900112 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(=O)/C=C/c3ccccc3)C3=C(C)C[C@H](O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900136 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(=O)/C=C/c3ccccc3)C3=C(C)C[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900140 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(C)=O)[C@@H]([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C ZINC000028900150 KK Annotated Mild C=C1[C@@H](OC(C)=O)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1[C@@H](OC(C)=O)CC(C)=C([C@@H](OC(C)=O)[C@@H]2OC(=O)/C=C/c2ccccc2)C1(C)C ZINC000028900160 KK Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900171 KK Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000028900175 KK Annotated Mild CC(C)C[C@@H](COP(=O)(O)O)NC(=O)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1 ZINC000028900443 KK Annotated Anodyne CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2NCCCCCC(=O)N[C@H](C(N)=O)c2ccc(O)cc2)cc1 ZINC000028900478 KK Annotated Anodyne CCC[C@@H]1O[C@H](COCc2ccc(F)cc2)[C@@H](OCc2ccc(F)cc2)[C@H](OCc2ccc(F)cc2)[C@H]1O ZINC000028900843 KK Annotated Anodyne CCC[C@H]1O[C@H](COCc2ccc(F)cc2)[C@@H](OCc2ccc(F)cc2)[C@H](OCc2ccc(F)cc2)[C@H]1O ZINC000028900856 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)CC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000028902496 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)CC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000028902501 KK Annotated Anodyne Cc1cc(CCC(=O)O)ccc1OCCCN(Cc1cccs1)c1nc2ccc(Cl)cc2s1 ZINC000028902581 KK Annotated Anodyne N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)nc1N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)CC1 ZINC000028903020 KK Annotated Mild CN(CCN(C)c1nc2ccc(Br)cc2s1)c1nc2ccc(Br)cc2s1 ZINC000028903452 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(c2nc3n(n2)S(=O)(=O)c2ccccc2N3c2ccccc2)CC1 ZINC000028948544 KK Annotated Anodyne O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4cc5ccccc5o4)n[nH]c2-3)C(=O)O1)c1cc2ccccc2o1 ZINC000028949330 KK Annotated Anodyne C[C@]1(N)COCc2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)C(=O)N[C@@H](c2ccccc2)CCc2cccc(c2)C1 ZINC000028949963 KK Annotated Anodyne C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(N(c3ccccc3)S(C)(=O)=O)c2)COC1=O ZINC000028949969 KK Annotated Anodyne C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccccc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000028950044 KK Annotated Mild C[C@@]1(N)Cc2cc(F)cc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000028950046 KK Annotated Mild C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000028950048 KK Annotated Mild C[C@@]1(N)Cc2cccc(c2F)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3ccccc3C#N)c2)COC1=O ZINC000028950050 KK Annotated Mild C[C@@]1(N)Cc2cccc(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O ZINC000028950052 KK Annotated Mild C[C@@]1(N)Cc2ccc(F)c(c2)CC[C@H](c2ccc(F)cc2)NC(=O)c2cc(cc(-c3cccc(F)c3C#N)c2)COC1=O ZINC000028950054 KK Annotated Mild CCC(CC)(c1ccc(OC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1)c1ccc(N(C)C(C)=O)cc1 ZINC000028950202 KK Annotated Anodyne COc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OC)c(Br)c2)cc1Br ZINC000028950496 KK Annotated Anodyne CCOc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OCC)c(Cl)c2)cc1Cl ZINC000028950498 KK Annotated Anodyne CCCOc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OCCC)c(Cl)c2)cc1Cl ZINC000028950500 KK Annotated Anodyne COc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000028950502 KK Annotated Bother COc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OC)c(C#N)c2)cc1C#N ZINC000028950504 KK Annotated Mild COc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OC)c(C(F)(F)F)c2)cc1C(F)(F)F ZINC000028950506 KK Annotated Anodyne COc1ccc(COP(=O)(Cc2cccc3ccccc23)OCc2ccc(OC)c(C(C)=O)c2)cc1C(C)=O ZINC000028950508 KK Annotated Anodyne COc1c(Cl)cc(COP(=O)(Cc2cccc3ccccc23)OCc2cc(Cl)c(OC)c(Cl)c2)cc1Cl ZINC000028950510 KK Annotated Anodyne COc1cc(CO[P@@](=O)(Cc2cccc3ccccc23)OCc2cc(Br)c(OC)c(Br)c2)cc(OC)c1OC ZINC000028950511 KK Annotated Anodyne COc1cc(CO[P@](=O)(Cc2cccc3ccccc23)OCc2cc(Br)c(OC)c(Br)c2)cc(OC)c1OC ZINC000028950513 KK Annotated Anodyne COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cn(C)c5ccc(Br)cc45)C3)nc2c1 ZINC000028951101 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000028951424 KK Annotated Clean CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000028951426 KK Annotated Clean CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000028951428 KK Annotated Clean CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000028951430 KK Annotated Clean CCCN1c2ccccc2[C@@H](N2CCCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)c2ccccc2S1(=O)=O ZINC000028951573 KK Annotated Mild CCCN1c2ccccc2[C@H](N2CCCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)c2ccccc2S1(=O)=O ZINC000028951575 KK Annotated Mild CCCCN1c2ccccc2[C@@H](N2CCCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)c2ccccc2S1(=O)=O ZINC000028951581 KK Annotated Mild CCCCN1c2ccccc2[C@H](N2CCCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)c2ccccc2S1(=O)=O ZINC000028951583 KK Annotated Mild Cc1cc2c(cc1-c1cc(CCC(=O)O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C ZINC000028952256 KK Annotated Anodyne Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C ZINC000028952497 KK Annotated Anodyne O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)ns1)c1ccc(Nc2cc(N3CCC3)ncn2)cc1 ZINC000028953216 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccc(Br)cc3)C2)cc1 ZINC000028953775 KK Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccc(Br)cc3)C2)cc1 ZINC000028953777 KK Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@@]3(Cc3ccc(-c4ccncc4)cc3)C2)cc1 ZINC000028953837 KK Annotated Mild CC(C)(C)c1ccc(S(=O)(=O)N2CCC3=CC(=O)CC[C@]3(Cc3ccc(-c4ccncc4)cc3)C2)cc1 ZINC000028953838 KK Annotated Mild C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000028953904 KK Annotated Anodyne CC(C)N1C[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)N2CCN(C3(CNCc4ccc([N+](=O)[O-])cc4)CCCCC3)CC2)C1 ZINC000028953986 KK Annotated Bother C[C@@H](C(=O)OCc1ccccc1)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1 ZINC000028954835 KK Annotated Anodyne C[C@H](C(=O)OCc1ccccc1)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1 ZINC000028954838 KK Annotated Anodyne O=C(C1CCN(c2ccncc2)CC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(-c3ccc(Cl)s3)s2)C1 ZINC000028955956 KK Annotated Anodyne CCCCCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@H](C4=CCOC4=O)C[C@H]3[C@]2(C)CC[C@H]1OC(=O)CCCCC ZINC000028956131 KK Annotated Anodyne CCCCCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@H](C4=CCOC4=O)C[C@@H]3[C@]2(C)CC[C@H]1OC(=O)CCCCC ZINC000028956132 KK Annotated Anodyne CCCCCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@@H](C4=CCOC4=O)C[C@H]3[C@]2(C)CC[C@H]1OC(=O)CCCCC ZINC000028956134 KK Annotated Anodyne CCCCCC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@@H](C4=CCOC4=O)C[C@@H]3[C@]2(C)CC[C@H]1OC(=O)CCCCC ZINC000028956136 KK Annotated Anodyne CCc1nc(N(C)c2ncc(Cl)cc2Cl)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OCCF ZINC000028956515 KK Annotated Anodyne O=C1NCCCC[C@H]1N(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028957726 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2ccccc21 ZINC000028958062 KK Annotated Mild CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)ccc21 ZINC000028958132 KK Annotated Mild CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)ccc21 ZINC000028958135 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cccc(F)c2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)ccc21 ZINC000028958142 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2cc(F)ccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)ccc21 ZINC000028958153 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2c(F)cccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)ccc21 ZINC000028958159 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2c(Cl)cccc2Cl)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)ccc21 ZINC000028958161 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(-c4ccncc4)n3)cccc2s1 ZINC000028961169 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(C4=CCN(C(=O)OC(C)(C)C)CC4)n3)cccc2s1 ZINC000028961173 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(C4=CCN(CC(C)C)CC4)n3)cccc2s1 ZINC000028961183 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(NCc4ccccn4)n3)cccc2s1 ZINC000028961231 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(N[C@H](C)c4cccnc4)n3)cccc2s1 ZINC000028961251 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(N[C@@H](C)c4cccnc4)n3)cccc2s1 ZINC000028961256 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(N[C@H](C)c4ccccn4)n3)cccc2s1 ZINC000028961260 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4)nc(N[C@@H](C)c4ccccn4)n3)cccc2s1 ZINC000028961265 KK Annotated Anodyne COCn1cc([C@@](O)(C(=O)O)C(F)(F)F)c2cc(OCCc3sc(-c4ccc(Cl)cc4)nc3C)ccc21 ZINC000028961352 KK Annotated Anodyne COCn1cc([C@](O)(C(=O)O)C(F)(F)F)c2cc(OCCc3sc(-c4ccc(Cl)cc4)nc3C)ccc21 ZINC000028961357 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNC(=O)N2CC[C@@H](c3ccccc3)C2)c1 ZINC000028961409 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3sc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNC(=O)N2CC[C@H](c3ccccc3)C2)c1 ZINC000028961415 KK Annotated Anodyne C[C@@H](O[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961591 KK Annotated Mild C[C@@H](O[C@@H]1CN(C2=CC(=O)CC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961764 KK Annotated Mild CC1=C(N2C[C@@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)CCC1=O ZINC000028961773 KK Annotated Mild C[C@@H](O[C@@H]1CN(C2=CC(=O)[C@@H](O)C2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961877 KK Annotated Mild C[C@@H](O[C@@H]1CN(C2=CC(=O)[C@H](O)C2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961882 KK Annotated Mild C[C@@H](O[C@@H]1CN(C2=CC(=O)OC2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961902 KK Annotated Mild C[C@@H](O[C@@H]1CN(C2=CC(=O)N(C)C2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028961907 KK Annotated Mild NC(=O)CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965097 KK Annotated Anodyne NC(=O)CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965106 KK Annotated Anodyne CCCCN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965124 KK Annotated Anodyne CCCCN(CC(N)=O)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965130 KK Annotated Anodyne NC(=O)CN(CCc1ccccc1F)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965157 KK Annotated Anodyne NC(=O)CN(CCc1ccccc1F)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965162 KK Annotated Anodyne COc1ccccc1CCN(CC(N)=O)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965176 KK Annotated Anodyne COc1ccccc1CCN(CC(N)=O)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965183 KK Annotated Anodyne NC(=O)CN(CCc1ccc(Cl)cc1)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965189 KK Annotated Anodyne NC(=O)CN(CCc1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000028965194 KK Annotated Anodyne CC[C@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 ZINC000028965226 KK Annotated Anodyne CC[C@@]12C=C(C(=O)OCCOC(=O)c3ccc(Cl)cc3)n3c4c(c5ccccc53)CCN(CCC1)[C@@H]42 ZINC000028965263 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)c3)oc2c1 ZINC000028966436 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccc(OC(C)=O)c(OC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)c3)oc2c1 ZINC000028966464 KK Annotated Anodyne COc1cc(C(=O)OC2CCC(N(C)C3CCC(OC(=O)c4c5ccccc5cc5ccccc45)CC3)CC2)cc(OC)c1OC ZINC000028967100 KK Annotated Bother COc1cc(OC)c([C@@H](CCc2ccc(O)cc2OC)c2ccc(O)cc2)cc1CCC(=O)c1ccc(O)cc1 ZINC000028968090 KK Annotated Anodyne in-vivo COc1cc(OC)c([C@H](CCc2ccc(O)cc2OC)c2ccc(O)cc2)cc1CCC(=O)c1ccc(O)cc1 ZINC000028968096 KK Annotated Anodyne in-vivo Cc1ccc(CNC(=O)[C@@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)cn1 ZINC000028968231 KK Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2CN([C@@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)cn1 ZINC000028968237 KK Annotated Anodyne COc1ccccc1/C(C)=C/CN(C)CCC[C@H](P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@](=O)(O)OCOC(=O)C(C)(C)C ZINC000028968405 KK Annotated Anodyne COc1ccccc1/C(C)=C/CN(C)CCC[C@@H](P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@](=O)(O)OCOC(=O)C(C)(C)C ZINC000028968408 KK Annotated Anodyne Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)cs1 ZINC000028969369 KK Annotated Anodyne CSc1nccc(-c2ccc(S(=O)(=O)Nc3cc(Br)ccc3C(=O)N3CCCCC3)s2)n1 ZINC000028969380 KK Annotated Anodyne O=C(c1ccc(Br)cc1NS(=O)(=O)c1sc(Cl)cc1Br)N1CCCCC1 ZINC000028969386 KK Annotated Anodyne O=C(c1ccc(Br)cc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1)N1CCCCC1 ZINC000028969391 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(O)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)[C@H](OC(C)=O)[C@H](C)OC3 ZINC000028969709 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc45)[C@H](O)[C@H](C)OC6)c2c1)[C@H](O)[C@H](C)OC3 ZINC000028969717 KK Annotated Anodyne COc1ccc2c(c1)c(-c1c3c4c(cc5c(c4c4ccc(OC)cc14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1 ZINC000028969834 KK Annotated Bother C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCCCC/C=C\C#CC(=O)O ZINC000028969932 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCCCCCCC#CC(=O)O ZINC000028969938 KK Annotated Mild C=CC(C)(C)c1c(O)c(O)c(C(C)(C)C=C)c2c3c(ccc12)-c1ccc(OC)c(OC)c1[C@H](CC(C)=O)N3C ZINC000028969967 KK Annotated Mild Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000028970211 KK Annotated Anodyne in-vivo Cc1ccc(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@H]7C=CCCCCN7[C@@H]54)C6)nccc23)cc1 ZINC000028970220 KK Annotated Anodyne in-vivo COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(C)c12 ZINC000028970237 KK Annotated Anodyne in-vivo CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC)c12 ZINC000028970247 KK Annotated Anodyne in-vivo CC(C)COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)c3n(CC(C)C)c12 ZINC000028970258 KK Annotated Anodyne CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000028970279 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@]34CC[C@H](CCCN3[C@@H]21)O4 ZINC000028970288 KK Annotated Anodyne in-vivo O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@]34CC[C@H](CCCN3[C@@H]21)O4 ZINC000028970293 KK Annotated Anodyne in-vivo Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CCCCCCCCN5CC[C@@H]3[C@]3(C[C@@H]6CCCCCCN6[C@@H]43)C5)nccc12 ZINC000028970306 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CCCCCCCCN5CC[C@H]3[C@]3(C[C@@H]6CCCCCCN6[C@@H]43)C5)nccc12 ZINC000028970311 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCCCCCC1)C[C@@]31C[C@@H]3CCCCCCN3[C@@H]21 ZINC000028970332 KK Annotated Anodyne C1=C[C@H]2C[C@]34CN5CCCC/C=C\C/C=C(/C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]3CC5)[C@@H]4N2CCCC1 ZINC000028970363 KK Annotated Anodyne in-vivo CC[C@H]1CC2(C[C@@H](CC)N1Cc1ccccc1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N2c1ccccc1 ZINC000028971327 KK Annotated Bother COc1ccc2c(c1)CCc1c(-c3c(O)c(OC)c(OC)c4c3CCc3cc(OC)ccc3-4)c(O)c(OC)c(OC)c1-2 ZINC000028971869 KK Annotated Anodyne in-vitro biogenic CCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972003 KK Annotated Anodyne CCCCN(C(=O)Nc1ccc(SC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972008 KK Annotated Anodyne CCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972024 KK Annotated Anodyne CCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972028 KK Annotated Anodyne CCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972070 KK Annotated Anodyne CCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972075 KK Annotated Anodyne CC(C)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972125 KK Annotated Anodyne CC(C)CCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000028972129 KK Annotated Anodyne CC(C)(Sc1ccc2c(c1)C[C@H](N(CCCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)O ZINC000028972144 KK Annotated Anodyne CC(C)(Sc1ccc2c(c1)C[C@@H](N(CCCC(F)(F)F)C(=O)Nc1ccc(OC(F)(F)F)cc1)C2)C(=O)O ZINC000028972148 KK Annotated Anodyne N=C(NC1CCCCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCCCC4)cc3)CC2)cc1 ZINC000028972428 KK Annotated Anodyne N=C(NC1CCCCCCC1)c1ccc(N2CCN(c3ccc(C(=N)NC4CCCCCCC4)cc3)CC2)cc1 ZINC000028972439 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C=O)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]3(C)[C@H]12 ZINC000028972712 KK Annotated Anodyne Cc1ccc(C(=O)N/C(=C/c2ccc(F)cc2F)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000028972853 KK Annotated Anodyne COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 ZINC000028973100 KK Annotated Anodyne COc1ccc(-n2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 ZINC000028973106 KK Annotated Anodyne CCc1ccc(-n2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 ZINC000028973117 KK Annotated Anodyne CC(C)CCN1CC=C(CCC[C@@H](CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)O)C1=O ZINC000028973304 KK Annotated Anodyne CC(C)CCN1CC=C(CCC[C@H](CC[C@@]2(C)C3=CCCC(C)(C)[C@@H]3CC[C@H]2C)COS(=O)(=O)O)C1=O ZINC000028973310 KK Annotated Anodyne C[C@H](COC(=O)NC1CCCCC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976075 KK Annotated Anodyne C[C@H](COC(=O)N(CCCn1ccnc1)CC1CC1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976111 KK Annotated Anodyne CC(C)N(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976115 KK Annotated Anodyne C[C@H](COC(=O)N(C)CCCn1ccnc1)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976133 KK Annotated Anodyne CCN(CCCn1ccnc1)C(=O)OC[C@@H](C)N(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028976139 KK Annotated Anodyne CCC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977140 KK Annotated Mild CCC/C(=N\OCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977146 KK Annotated Mild CC(C)/C(=N\OCc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000028977152 KK Annotated Mild C[C@H](CCCNC(=O)Cc1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028977994 KK Annotated Anodyne C[C@H](CCCN1CCc2ccccc2C1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978234 KK Annotated Anodyne C[C@H](CCCn1nnc(-c2ccccc2)n1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978319 KK Annotated Anodyne C[C@H](CCCn1nnnc1-c1ccccc1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028978334 KK Annotated Anodyne C=CC[C@H](C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978757 KK Annotated Mild C=CC[C@@H](C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978761 KK Annotated Mild CC#CC[C@@H](C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978767 KK Annotated Mild CC#CC[C@H](C(=O)O)c1ccc(COc2cccc(-c3ccc(C(F)(F)F)c4ncc(C(=O)c5ccccc5)cc34)c2)cc1 ZINC000028978771 KK Annotated Mild CC(C)=C[C@H](Br)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 ZINC000028978971 KK Annotated Anodyne CC(C)=C[C@@H](Br)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 ZINC000028978975 KK Annotated Anodyne CC(C)=C(Br)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 ZINC000028979043 KK Annotated Anodyne Oc1c(Br)cc(Cc2cc(Br)c(O)c(Br)c2O)c(O)c1Br ZINC000028979757 KK Annotated Anodyne CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)nc2n1 ZINC000028980046 KK Annotated Anodyne CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(C(=O)Nc5ccncc5)CC4)cc3)nc2n1 ZINC000029037181 KK Annotated Anodyne NC(=O)c1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000029037196 KK Annotated Anodyne CNc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)nc2n1 ZINC000029037198 KK Annotated Anodyne CCc1c(Cc2cc(C)cc(C)c2)n(COCC#Cc2ccc(COCn3c(Cc4cc(C)cc(C)c4)c(CC)c(=O)[nH]c3=O)cc2)c(=O)[nH]c1=O ZINC000029037394 KK Annotated Mild CCc1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(C#C[C@@]3(O)CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@H]6[C@@H]5CC[C@]43CC)cc2)c(=O)[nH]c1=O ZINC000029037397 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038779 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC2CCCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038803 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC2CCCCCCCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038810 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(N[C@@H]2C[C@H]3CC[C@@H]2C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038818 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(N[C@H]2C[C@H]3CC[C@@H]2C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038820 KK Annotated Anodyne CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)CCCCC(=O)O)c1 ZINC000029038834 KK Annotated Anodyne CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2NC(=O)NCCCCCC(=O)O)c1 ZINC000029038839 KK Annotated Anodyne CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc2ccccc2cc1-c1ccc(C#N)cc1 ZINC000029038854 KK Annotated Mild CCCCN(CCCC)CCCNc1nc(NCC2CCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038868 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038873 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(CCCC)CCCC)n1 ZINC000029038878 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(CCC)CC2CC2)n1 ZINC000029038880 KK Annotated Anodyne CCCCOc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OCCCC)c1O ZINC000029039195 KK Annotated Anodyne CCC[C@H](C)Oc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039213 KK Annotated Anodyne CCC[C@H](C)Oc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O[C@@H](C)CCC)c1O ZINC000029039215 KK Annotated Anodyne CCC[C@@H](C)Oc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039217 KK Annotated Anodyne CCC[C@H](C)Oc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039219 KK Annotated Anodyne CCC[C@H](C)Oc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O[C@@H](C)CCC)c1O ZINC000029039221 KK Annotated Anodyne CCC[C@@H](C)Oc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(O[C@H](C)CCC)c1O ZINC000029039224 KK Annotated Anodyne CCC(CC)Oc1cc(/C=C/C(=O)NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC(CC)CC)c1O ZINC000029039227 KK Annotated Anodyne CCC(CC)Oc1cc(/C=C/C(=O)NCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC(CC)CC)c1O ZINC000029039229 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NC2CCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039263 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NCCc2ccc(OC)cc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039267 KK Annotated Anodyne CCN(CC)CCCNc1nc(NCCc2ccc(OC)cc2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039269 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NCCCN(CCCC)CCCC)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039271 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NCCCN(CC)CC)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039273 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NCCCN2CCC[C@@H](C)C2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039274 KK Annotated Anodyne CCCCN(CCCC)CCCNc1nc(NCCCN2CCC[C@H](C)C2)nc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039276 KK Annotated Anodyne CC(C)(C)CC(=O)N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1 ZINC000029039508 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000029039512 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1C(F)(F)F ZINC000029039514 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1C(F)(F)F)C(=O)NCc1nc2cccnc2n1C1(c2ccccc2)CC1)c1ccccc1OC(F)(F)F ZINC000029039521 KK Annotated Anodyne O=C(NCc1nc2cccnc2n1C1(c2ccccc2)CC1)[C@@H](Cc1c(F)ccc(F)c1F)NC(=O)C1(C(F)(F)F)CC1 ZINC000029039557 KK Annotated Anodyne CC(=O)c1ccc(Oc2ccc(-c3ccc(-c4ccc(C(F)(F)F)cc4)n3CC(=O)N=C(N)N)cc2)cc1 ZINC000029040048 KK Annotated Mild O=S(=O)(/N=C(\O)NCCc1c(-c2ccc(F)cc2)[nH]c2ccc(Br)cc12)c1ccccc1 ZINC000029041490 KK Annotated Mild C[C@@H](NC(=O)c1sc(-c2ccccc2F)nc1C(F)(F)F)c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000029041564 KK Annotated Mild C[C@H](NC(=O)c1sc(-c2ccccc2F)nc1C(F)(F)F)c1cccc(-c2cccc(OC(F)(F)F)c2)c1 ZINC000029041566 KK Annotated Mild COc1ccccc1CNCCCNCCCNCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000029041609 KK Annotated Bother CC(=O)OC[C@](C)(O)[C@H](O)CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O ZINC000029041827 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)NCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000029041848 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@H]2[C@@]1(C)CC(=O)O ZINC000029041852 KK Annotated Anodyne COC(=O)C(C)(C)[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@H]2[C@@]1(C)CC(=O)O ZINC000029041854 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@H]2[C@@]1(C)CC(=O)O ZINC000029041856 KK Annotated Anodyne COC(=O)C(C)(C)[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@H]2[C@@]1(C)CC(=O)O ZINC000029041857 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)Nc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000029041898 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 ZINC000029041901 KK Annotated Reactive COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@H]21 ZINC000029041903 KK Annotated Anodyne COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@@H]21 ZINC000029041905 KK Annotated Anodyne COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@H]21 ZINC000029041907 KK Annotated Anodyne COC(=O)C[C@]1(C)[C@@H]2CC[C@]3(C)C(=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@H]34)[C@]2(C)CC[C@H]1C(C)(C)C(=O)OC ZINC000029041909 KK Annotated Anodyne CC1=C2C(=O)c3c(OC(=O)c4ccc(Br)cc4)ccc(OC(=O)c4ccc(Br)cc4)c3C[C@@]2(C)CCC1=O ZINC000029041910 KK Annotated Mild CC1=C2C(=O)c3c(OC(=O)c4ccc(Br)cc4)ccc(OC(=O)c4ccc(Br)cc4)c3C[C@]2(C)CCC1=O ZINC000029041912 KK Annotated Mild CC(=O)C1=CCCCCN2C1=C(C(C)=O)[C@]13CN4CCCC/C=C\CCC(=C[C@H](c5nccc6c5[nH]c5ccccc56)[C@@H]1CC4)[C@H]23 ZINC000029042028 KK Annotated Mild CC(=O)C1=C2C=CCCCCN2[C@H]2C3=C[C@H](c4nccc5c4[nH]c4ccccc45)[C@@H]4CCN(CCCC/C=C\CC3)C[C@@]142 ZINC000029042030 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C\CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5C=CCCCCN5[C@H]43)nccc12 ZINC000029042057 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@]4(OC(C)=O)CC/C=C\CCCCN5CC[C@H]3[C@@]3(C[C@H]6C=CCCCCN6[C@@H]34)C5)nccc12 ZINC000029042059 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@@]3(C[C@H]6CC[C@H](O)CCCN6[C@@H]34)C5)nccc12 ZINC000029042061 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@@]3(C[C@H]6CC[C@@H](O)CCCN6[C@@H]34)C5)nccc12 ZINC000029042063 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C\CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5C(C(C)=O)=CCCCCN5[C@H]43)nccc12 ZINC000029042101 KK Annotated Mild O=C1CCCN2[C@H]3[C@]4(C[C@H]2CC1)CN1CCCC/C=C\CC[C@@]3(O)C=C(c2nccc3c2[nH]c2c(O)cccc23)[C@H]4CC1 ZINC000029042116 KK Annotated Anodyne Oc1cccc2c1[nH]c1c([C@H]3C[C@@]4(O)CCCCCCCCN5CC[C@@H]3[C@]3(C[C@@H]6CCCCCCN6[C@@H]43)C5)nccc12 ZINC000029042118 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CC/C=C\CCCCN5CC[C@H]3[C@@]3(C[C@H]6C=CCCCCN6[C@@H]34)C5)nccc12 ZINC000029042148 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@]4(O)CCCCCCCCN5CC[C@H]3[C@@]3(C[C@H]6CCCCCCN6[C@@H]34)C5)nccc12 ZINC000029042150 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3CCCCCCN3[C@@H]21 ZINC000029042152 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H]3Cc4c(S(=O)(=O)O)cc(O)c(S(=O)(=O)O)c4[C@@]3(C)CC[C@@H]21 ZINC000029042167 KK Annotated Anodyne Cc1cc(O)cc2c1C[C@@H]1C[C@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@@]1(C)O2 ZINC000029042200 KK Annotated Anodyne C=C(C)CC[C@@H](C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccc(O)c(O)c3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C)C(=C)C ZINC000029042319 KK Annotated Mild CC(=O)OC[C@](C)(O)[C@@H](CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)OC(C)=O ZINC000029042365 KK Annotated Anodyne Cc1cc(O)cc2c1C[C@@H]1C[C@@H](O)[C@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@@H]3CC(C)(C)/C=C/C[C@@]1(C)O2 ZINC000029042384 KK Annotated Anodyne COc1c(C)cc2c(c1OCc1ccccc1)[C@@H]1C3=Cc4c(OC(C)=O)c(C)c(OC)c(OC)c4[C@H](COCc4ccccc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000029042404 KK Annotated Mild COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](C)NC3CCCC3)c2=O)c1F ZINC000029044058 KK Annotated Anodyne COc1ccc2[nH]cc(C3CCN([C@@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044506 KK Annotated Anodyne COc1ccc2[nH]cc(C3CCN([C@H](CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 ZINC000029044509 KK Annotated Anodyne Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCCCC3)cc2)n(-c2ccccc2Cl)n1 ZINC000029044947 KK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(Cl)c(Oc2cc(Cl)cc(C#N)c2)c1 ZINC000029045295 KK Annotated Mild CS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2)c(Cl)c1 ZINC000029045423 KK Annotated Mild CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2Cl)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1 ZINC000029045511 KK Annotated Anodyne COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1Cl ZINC000029045655 KK Annotated Anodyne CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)ccc1Br ZINC000029045822 KK Annotated Anodyne O=c1cc(Cc2cccc3ccccc23)c(C2CC2)c2n1[C@H](/C(O)=N/S(=O)(=O)c1ccccc1)CS2 ZINC000029046965 KK Annotated Mild O=c1cc(Cc2cccc3ccccc23)c(-c2ccccc2)c2n1[C@H](/C(O)=N/S(=O)(=O)c1ccccc1)CS2 ZINC000029047137 KK Annotated Mild COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1F ZINC000029048081 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@H]1C3=O)[C@@H](O)[C@]2(CC[C@@H](C)C(=O)O)OC4(C)C ZINC000029048542 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000029048544 KK Annotated Anodyne O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=C[C@@H]12 ZINC000029048819 KK Annotated Anodyne O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5n[nH]c(-c6ccccn6)n5)CC4)cc3)C(c3ccccc3)=C[C@H]12 ZINC000029048822 KK Annotated Anodyne c1ccc(-c2cc3ncccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000029048909 KK Annotated Anodyne c1ccc(-c2cc3cnccc3nc2-c2ccc(CN3CCC(c4n[nH]c(-c5ccccn5)n4)CC3)cc2)cc1 ZINC000029048926 KK Annotated Anodyne O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1cc(NC(=O)c2ccco2)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1 ZINC000029050394 KK Annotated Anodyne O=C1/C(=C/c2cc(Br)c(O)c(Br)c2)CSC/C1=C\c1cc(Br)c(O)c(Br)c1 ZINC000029051538 KK Annotated Mild CN1C/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)C1 ZINC000029051797 KK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C(F)(F)F)=C[C@]43C)[C@@H]2C1 ZINC000029051950 KK Annotated Mild C=C[C@@](C)(/C=C/c1ccc(OC(C)(C)[C@@H](O)CC[C@@](C)(C=C)/C=C/c2ccc(O)cc2)cc1)CCC=C(C)C ZINC000029051955 KK Annotated Mild COc1cc2c(cc1OCCCCCn1c(-c3cccs3)nc3ccccc31)NC(=O)[C@@H]1CCCN1C2=O ZINC000029052039 KK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(I)=C[C@]43C)[C@@H]2C1 ZINC000029052118 KK Annotated Mild O=C(/C=C/c1c(O)cc(Br)cc1Br)/C=C/c1c(O)cc(Br)cc1Br ZINC000029052160 KK Annotated Mild COc1cc2c(cc1OCCCCCn1c(-c3cccs3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000029052216 KK Annotated Anodyne COc1cc2c(cc1OCCCCn1c(-c3cccs3)nc3ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000029052328 KK Annotated Anodyne Cn1c2ccccc2c2c(=O)n(CCCC(=O)NCC(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)c3c(-c4ccccc4)nnn3c21 ZINC000029052440 KK Annotated Bother O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCC(F)(F)CC1 ZINC000029054260 KK Annotated Mild COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(F)c(C(=O)N4CCCCC4)cc3O2)cc1 ZINC000029054580 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(F)c(C(=O)N4CCCCC4)cc3O2)cc1 ZINC000029054585 KK Annotated Anodyne COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C ZINC000029054615 KK Annotated Anodyne O=S(=O)(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCC(F)(F)CC1 ZINC000029054716 KK Annotated Mild O=C(/C=C/c1c(Br)cc(O)cc1Br)/C=C/c1c(Br)cc(O)cc1Br ZINC000029055130 KK Annotated Mild Cn1c2ccccc2c2c(=O)n(CCCC(=O)N(C(=O)NC3CCCCC3)C3CCCCC3)c3c(-c4ccccc4)nnn3c21 ZINC000029055249 KK Annotated Bother CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)Oc1ccc(O)c(C(=O)O)c1 ZINC000029055468 KK Annotated Anodyne O[C@H]1c2nc(c(-c3ccccc3)c3ccc(s3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc(s3)c2-c2ccccc2)[C@H]1O ZINC000029055525 KK Annotated Bother O=S(=O)(c1ccccc1)N(Cc1ccc(Br)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 ZINC000029055755 KK Annotated Anodyne CC/N=c1/cc2oc3cc(NCCC(=O)N[C@@H](Cc4ccccc4)C(=O)OC)c4ccccc4c3nc-2cc1C ZINC000029057612 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCC(=O)N[C@H](Cc4ccccc4)C(=O)OC)c4ccccc4c3nc-2cc1C ZINC000029057617 KK Annotated Bother CC/N=c1/cc2oc3cc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058342 KK Annotated Bother CC/N=c1/cc2oc3cc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058346 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058469 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058474 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058982 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058986 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058991 KK Annotated Bother CC/N=c1/cc2oc3cc(NCCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c4ccccc4c3nc-2cc1C ZINC000029058995 KK Annotated Bother Cc1ccc(/N=N/c2ccc(C)cc2-n2c(=O)c3cc4c(=O)n(-c5cc(C)ccc5/N=N/c5ccc(C)cc5)c(=O)c4cc3c2=O)cc1 ZINC000029060121 KK Annotated Clean Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@@H](C)CNCCCCc2ccnnc2)c1 ZINC000029060359 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCCc2ccnnc2)c1 ZINC000029060364 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000029061145 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)/C=C/c2ccccc2)[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000029061151 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@@H](OC(=O)/C=C/c2ccccc2)[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000029061156 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=O)oc3c2[C@H](OC(=O)/C=C/c2ccccc2)[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000029061163 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@@H]2OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000029061190 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@@H]2OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000029061196 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000029061202 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2[C@H](OC(=O)/C=C/c3ccc(OC)cc3)c3c(ccc4ccc(=O)oc34)OC2(C)C)cc1 ZINC000029061208 KK Annotated Anodyne Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(C)c1 ZINC000029061313 KK Annotated Clean Cc1ccccc1/N=N/c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C(Cl)(Cl)Cl)c(C)c1 ZINC000029061319 KK Annotated Clean COC(=O)c1c(-c2ccccc2)c2cc(Br)ccc2c(=O)n1Cc1ccc(NC(=O)CCC(=O)O)cc1 ZINC000029061673 KK Annotated Anodyne Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)[C@@H]2Cc1ccccc1 ZINC000029123243 KK Annotated Clean Oc1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)[C@H]2Cc1ccccc1 ZINC000029123244 KK Annotated Clean COc1c(N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123465 KK Annotated Bother COc1c(N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(F)c([N+](=O)[O-])c2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000029123467 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)cc1 ZINC000029123590 KK Annotated Anodyne COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)cc1 ZINC000029123592 KK Annotated Anodyne COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)cc1 ZINC000029123710 KK Annotated Bother COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)cc1 ZINC000029123712 KK Annotated Bother O=C(Cc1cs/c(=N\c2ccc(Oc3ccccc3)cc2)n1C1CC1)Nc1ccc(Br)cc1 ZINC000029124698 KK Annotated Anodyne NCCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125345 KK Annotated Anodyne C[C@@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125347 KK Annotated Anodyne CN(CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21)C(=O)c1ccc2ccccc2c1 ZINC000029125377 KK Annotated Anodyne C[C@H](N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125401 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)C=CC(C)(C)O4)c(=O)oc3ccccc23)cc1 ZINC000029125402 KK Annotated Anodyne CC(C)(N)C(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125403 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCC(N2CCC(O)(c3ccc(Cl)cc3)CC2)CC1 ZINC000029125459 KK Annotated Anodyne CCc1cccc2c1n(CCCN(C)C(=O)Cc1ccccc1)c(=N)n2CC(=O)c1ccc(Cl)cc1 ZINC000029125464 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)/N=C(\O)Cc3ccccc3C(F)(F)F)cc1C)C2=O ZINC000029125479 KK Annotated Mild NCC(=O)NCCOc1cc(-c2ccccc2Cl)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2c1 ZINC000029125483 KK Annotated Anodyne CN(C)CCNC(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125596 KK Annotated Anodyne CN(C)CCNC(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125597 KK Annotated Anodyne CN(C)CCN(C)C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125598 KK Annotated Anodyne CN(C)CCN(C)C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000029125599 KK Annotated Anodyne Nc1nnc(-c2cnc(-c3ccc(CNCCC(=O)c4ccccc4N)cc3)c(-c3ccccc3)c2)s1 ZINC000029125614 KK Annotated Anodyne CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](N(CCCO)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125687 KK Annotated Anodyne CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](N(CCCO)S(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)c(F)c1 ZINC000029125688 KK Annotated Anodyne CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)c(F)c1 ZINC000029125690 KK Annotated Anodyne CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc4cc(Cl)ccc34)C2=O)c(F)c1 ZINC000029125691 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CS(=O)(=O)/N=C(\O)C3(c4c(OC)cccc4OC)CC3)cc1C)C2=O ZINC000029125746 KK Annotated Mild N=c1n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1CCCN(C(=O)c1cccc2cccnc12)C1CC1 ZINC000029125780 KK Annotated Anodyne COc1ccccc1C/C(O)=N/S(=O)(=O)Cc1ccc(N2Cc3c(c(OC(C)C)c4cccnc4c3OC(C)C)C2=O)c(C)c1 ZINC000029125798 KK Annotated Mild CC(=O)N(CCCN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)[C@H](CC(=O)OC(C)C)c1cccc(Cl)c1 ZINC000029125821 KK Annotated Anodyne CC(=O)N(CCCN(C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](CC(=O)OC(C)C)c1cccc(Cl)c1 ZINC000029125822 KK Annotated Anodyne N=c1n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1C[C@H]1CCCN(C(=O)c2cccc3cccnc23)C1 ZINC000029125890 KK Annotated Anodyne N=c1n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c2n1C[C@@H]1CCCN(C(=O)c2cccc3cccnc23)C1 ZINC000029125936 KK Annotated Anodyne CN(CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21)C(=O)c1cccc2cccnc12 ZINC000029125981 KK Annotated Anodyne COc1cc2c(cc1OC[C@@H]1CCCCO1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125994 KK Annotated Bother COc1cc2c(cc1OC[C@H]1CCCCO1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029125995 KK Annotated Bother COc1cc2c(cc1OCc1csc(C)n1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2 ZINC000029126046 KK Annotated Bother COc1ccccc1C(=O)N(C)CCCn1c(=N)n(CC(=O)c2ccc(Cl)cc2)c2cccc(Cl)c21 ZINC000029126073 KK Annotated Anodyne CN1CCN(C(=O)N([C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000029126075 KK Annotated Anodyne CN1CCN(C(=O)N([C@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000029126076 KK Annotated Anodyne Cc1ccc(-n2c([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@H]43)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000029126197 KK Annotated Anodyne CC1(C)OC[C@H]([C@H](O)[C@@H]2OC(C)(C)O[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)O1 ZINC000029126435 KK Annotated Anodyne CC1(C)O[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)[C@H]([C@@H](O)[C@H]2COC(C)(C)O2)O1 ZINC000029126436 KK Annotated Anodyne Cc1ccc(-n2c([C@@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@H]3COC(C)(C)O3)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000029126437 KK Annotated Anodyne Cc1ccc(-n2c([C@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@H]3COC(C)(C)O3)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000029126438 KK Annotated Anodyne CC1(C)OC[C@H]([C@H](O)[C@@H]2OC(C)(C)O[C@@H]2c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(F)cc2)O1 ZINC000029126439 KK Annotated Anodyne CC1(C)O[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(F)cc2)[C@H]([C@@H](O)[C@H]2COC(C)(C)O2)O1 ZINC000029126440 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)/N=C(\O)Cc3cc(OC)ccc3OC)cc1)C2 ZINC000029126689 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)/N=C(\O)[C@@H]3CCCc4ccccc43)cc1)C2 ZINC000029126735 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CS(=O)(=O)/N=C(\O)[C@H]3CCCc4ccccc43)cc1)C2 ZINC000029126736 KK Annotated Mild CN(C)c1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029126867 KK Annotated Anodyne CN(C)c1ccc([C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029126868 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C(=O)N2 ZINC000029126874 KK Annotated Mild COCCOCCOc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(F)(F)F)c2)c(C)c1 ZINC000029126881 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Br)cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029126960 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Br)cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029126961 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029126963 KK Annotated Anodyne O=C1[C@@H]2Nc3ccccc3[C@H]2CC[C@@]12[C@@H](c1ccc(Cl)cc1)[C@H]1CCCN1[C@@]21C(=O)Nc2ccccc21 ZINC000029126964 KK Annotated Anodyne Cc1ccc2c(-c3nnc(SCC[C@H](C)N4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1 ZINC000029126990 KK Annotated Anodyne Cc1ccc2c(-c3nnc(SCC[C@@H](C)N4CCc5cc6nc(C(F)(F)F)oc6c(C)c5CC4)n3C)cccc2n1 ZINC000029126991 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127063 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000029127064 KK Annotated Anodyne Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O ZINC000029127166 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000029127260 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000029127448 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000029127449 KK Annotated Mild Nc1ncnc2nc(-c3ccc(CN4CCC(c5cc(-c6ccncc6)[nH]n5)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029127530 KK Annotated Anodyne NCCc1c([C@@H](c2[nH]c3cc(Br)ccc3c2CCNC(=O)C(F)(F)F)c2c[nH]c3ccccc23)[nH]c2cc(Br)ccc12 ZINC000029127845 KK Annotated Anodyne NCCc1c([C@H](c2[nH]c3cc(Br)ccc3c2CCNC(=O)C(F)(F)F)c2c[nH]c3ccccc23)[nH]c2cc(Br)ccc12 ZINC000029127846 KK Annotated Anodyne COc1cc(/C=C2\CC/C(=C\c3ccc(O[C@@H]4CCCCO4)c(OC)c3)C2=O)ccc1O[C@@H]1CCCCO1 ZINC000029127847 KK Annotated Mild COc1cc(/C=C2\CC/C(=C\c3ccc(O[C@@H]4CCCCO4)c(OC)c3)C2=O)ccc1O[C@H]1CCCCO1 ZINC000029127848 KK Annotated Mild COc1cc(/C=C2\CC/C(=C\c3ccc(O[C@H]4CCCCO4)c(OC)c3)C2=O)ccc1O[C@H]1CCCCO1 ZINC000029127849 KK Annotated Mild C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128082 KK Annotated Anodyne C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 ZINC000029128088 KK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 ZINC000029128151 KK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](n2cnc3ncnc(Cl)c32)OCc2ccccc21 ZINC000029128152 KK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 ZINC000029128207 KK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@H](n2cnc3c(Cl)ncnc32)OCc2ccccc21 ZINC000029128208 KK Annotated Anodyne C[C@@H]1COc2c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029128329 KK Annotated Bother C[C@H]1COc2c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029128330 KK Annotated Bother C[C@@H]1COc2c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029128331 KK Annotated Bother C[C@H]1COc2c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23 ZINC000029128332 KK Annotated Bother O=C(O)c1nc(CN(C2CCCCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1-c1ccc(-c2ccccc2)cc1 ZINC000029128511 KK Annotated Anodyne O=C(O)c1nc(CN(C2CCCCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1Cc1ccc(-c2ccccc2)cc1 ZINC000029128558 KK Annotated Anodyne O=C(O)c1nc(CN(C2CCCCC2)S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1Cc1ccc2ccccc2c1 ZINC000029128561 KK Annotated Anodyne CC(C)[C@H](c1nc(C(=O)O)c(Cc2ccc3ccccc3c2)[nH]1)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000029128563 KK Annotated Anodyne CC(C)[C@@H](c1nc(C(=O)O)c(Cc2ccc3ccccc3c2)[nH]1)N(C)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000029128564 KK Annotated Anodyne O=C(O)c1nc([C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1-c1ccc2ccccc2c1 ZINC000029128622 KK Annotated Anodyne O=C(O)c1nc([C@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)[nH]c1-c1ccc2ccccc2c1 ZINC000029128623 KK Annotated Anodyne COc1ccc(CCCC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@@H]2c2ccccc2)cc1OC ZINC000029128790 KK Annotated Mild COc1ccc(CCCC(=O)N2CCN(/C(=N/C#N)Nc3ccccc3C)C[C@H]2c2ccccc2)cc1OC ZINC000029128791 KK Annotated Mild CO[C@@H]1CN(C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C(C)(C)O)nc2cc(C)ccc21 ZINC000029128967 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)N[C@@H]2c2ccccc2C)c2ncccc2c1 ZINC000029129037 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)N[C@@H]2c2ccccc2C)c2ncccc2c1 ZINC000029129038 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)N[C@H]2c2ccccc2C)c2ncccc2c1 ZINC000029129039 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@H](Cc3ccccc3)N[C@H]2c2ccccc2C)c2ncccc2c1 ZINC000029129040 KK Annotated Anodyne CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc(C2CC2)c(CF)n1-c1ccc(C#N)cc1 ZINC000029129120 KK Annotated Mild CCc1c(C2CC2)nc([C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc2ccc(F)c(C(F)(F)F)c2)n1-c1ccc(C#N)cc1 ZINC000029129163 KK Annotated Mild CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc(-c2ccccc2)cn1-c1ccc(C#N)cc1 ZINC000029129445 KK Annotated Mild C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(-c2nccs2)cc(-c2nccs2)c1 ZINC000029129507 KK Annotated Anodyne N#Cc1ccc(NC(=O)c2ccc3c(c2)nc(-c2ccc(Cl)cc2Cl)n3Cc2ccc(F)cc2)cc1C(F)(F)F ZINC000029129836 KK Annotated Mild N#Cc1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1C(F)(F)F ZINC000029129840 KK Annotated Mild CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)[C@H](C)c1nc(C2CC2)c(Cl)n1-c1ccc(C#N)cc1 ZINC000029130160 KK Annotated Mild CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)Cc4cc(F)cc(F)c4)ccc3oc2=O)cc1 ZINC000029130305 KK Annotated Anodyne CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)CCc4ccc(F)c(F)c4)ccc3oc2=O)cc1 ZINC000029130309 KK Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4ccccc4C(F)(F)F)nc3-c3ccccc3)cc21 ZINC000029130581 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000029130628 KK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)OC)c4C)c(C)c4[nH]c(cc1n2)c(C)c4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000029130702 KK Annotated Bother CC(C)S(=O)(=O)n1c(N(C)Cc2ccccc2)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21 ZINC000029131052 KK Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4Cl)nc3-c3ccc(F)cc3)cc21 ZINC000029131145 KK Annotated Anodyne c1ccc(COc2ccc(-c3nn(-c4ccc(OCc5ccccc5)cc4)[n+](-c4ccccc4)n3)cc2)cc1 ZINC000029131186 KK Annotated Anodyne CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(Cl)cccc4C(F)(F)F)nc3-c3ccccc3)cc21 ZINC000029131206 KK Annotated Anodyne C1=C\CCCCCC[n+]2cccc(c2)CCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000029131884 KK Annotated Anodyne O=C(CCCCCCCCCCCCCCC[n+]1ccccc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000029132665 KK Annotated Bother N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1C[C@H](c1ccc(O)cc1)CC2 ZINC000029132702 KK Annotated Mild N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)sc2c1C[C@@H](c1ccc(O)cc1)CC2 ZINC000029132704 KK Annotated Mild CCOC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1c(C(=O)Nc2ccccc2)nn(-c2ccccc2)c1C ZINC000029133073 KK Annotated Anodyne CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1c(C(=O)Nc2ccccc2)nn(-c2ccccc2)c1C ZINC000029133223 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)C[C@H](c2ccc(O)cc2)CC3)c(Cl)cc1Cl ZINC000029133821 KK Annotated Mild CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3c(c2C#N)C[C@@H](c2ccc(O)cc2)CC3)c(Cl)cc1Cl ZINC000029133822 KK Annotated Mild CCN(CC)CCCCCOc1ccc2c(=O)c3ccc(OCCCCCN(CC)CC)c(F)c3oc2c1F ZINC000029133829 KK Annotated Bother CC(C)(C)OC(=O)/N=C(/N=C(\O)OC(C)(C)C)Nc1ccc(Nc2ccc(NC(=N\C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)cc2)cc1 ZINC000029133857 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)C[C@H](c2ccc(O)cc2)CC3)c1 ZINC000029133871 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sc3c(c2C#N)C[C@@H](c2ccc(O)cc2)CC3)c1 ZINC000029133873 KK Annotated Mild C[N+]1(CCO[P@](=O)(O)OCCCCC=C2CCCCCCCCCCCCCC2)CCOCC1 ZINC000029133899 KK Annotated Bother C[N+]1(CCO[P@](=O)(O)OCCCCC=C2CCCCCCCCCCCCCC2)CCCCC1 ZINC000029133989 KK Annotated Bother C[N+]1(CCO[P@](=O)(O)OCCCCCC2CCCCCCCCCCCCCC2)CCCCC1 ZINC000029133993 KK Annotated Bother C[N+]1(C)[C@H]2CC[C@@H]1CC(=CCO[P@](=O)(O)OCCCCCCCCCCC=C1C3CC4CC(C3)CC1C4)C2 ZINC000029134408 KK Annotated Bother C[N+](C)(C)[C@@H]1CCC[C@H]1O[P@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000029134460 KK Annotated Bother C[N+](C)(C)[C@H]1CCCC[C@@H]1O[P@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1 ZINC000029134527 KK Annotated Bother C[N+]1(CCO[P@](=O)(O)OCCCCCC2CCCCCCCCCCCCCC2)CCOCC1 ZINC000029134594 KK Annotated Bother C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2CCCCCCCCCCCCCC2)CCOCC1 ZINC000029134602 KK Annotated Bother C[N+](C)(C)[C@H]1CCC[C@@H]1O[P@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1 ZINC000029134608 KK Annotated Bother C[N+]1(CCO[P@](=O)(O)OCCCCCCCCCCC=C2CCCCCCCCCCCCCC2)CCCCC1 ZINC000029134613 KK Annotated Bother C[N+](C)(C)CCO[P@](=O)(O)OCCCCCCCCCCC=C1CCCCCCCCCCCCCC1 ZINC000029134665 KK Annotated Bother C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029202997 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029203002 KK Annotated Anodyne C[C@@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029204448 KK Annotated Anodyne C[C@@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029204454 KK Annotated Anodyne CN(CCCN(C)CCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccoc23)C1=O ZINC000029204890 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCN(CCCCCCN(CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1)C1CCCCC1 ZINC000029205294 KK Annotated Anodyne CN(CCCN(C)CCN1C(=O)c2cccc3c2c(cc2ccsc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2ccsc23)C1=O ZINC000029205333 KK Annotated Anodyne CN(CCCN(C)CCN1C(=O)c2cccc3c2c(cc2sccc23)C1=O)CCN1C(=O)c2cccc3c2c(cc2sccc23)C1=O ZINC000029205364 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N(CCCN(CCCCCCN(CCCN1C(=O)c3ccc(C)cc3C1=O)C1CCCCC1)C1CCCCC1)C2=O ZINC000029205808 KK Annotated Anodyne CCN(CC)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2cc(NCc3ccc(Cl)c(Cl)c3)ccc12 ZINC000029206291 KK Annotated Anodyne COc1ccccc1COCCCOc1ncc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1 ZINC000029206599 KK Annotated Anodyne C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 ZINC000029207200 KK Annotated Bother C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029207555 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC2CCCC2)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029207560 KK Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000029207841 KK Annotated Anodyne CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000029207845 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029208173 KK Annotated Anodyne C[C@H]1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000029208176 KK Annotated Anodyne O=C1c2ccccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]2c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc21 ZINC000029208911 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCN2C(=O)c3ccccc3C2=O)c1=O ZINC000029209229 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCCCCCN2C(=O)c3ccccc3C2=O)c1=O ZINC000029209409 KK Annotated Anodyne C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)N[C@@H]1c1ccccc1)CCCN1c2ccccc2C(=O)N[C@@H]1c1ccccc1 ZINC000029209514 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)N[C@H]1c1ccccc1)CCCN1c2ccccc2C(=O)N[C@@H]1c1ccccc1 ZINC000029209519 KK Annotated Bother N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc2ccccc2c1 ZINC000029210045 KK Annotated Mild Cc1ccc(Cl)c2nc3cccc(C(=O)NCCNCCNCCNC(=O)c4cccc5nc6c(Cl)ccc(C)c6nc45)c3nc12 ZINC000029211906 KK Annotated Bother N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Sc1ccccc1 ZINC000029211932 KK Annotated Mild N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc2c(c1)CCCC2 ZINC000029212250 KK Annotated Mild COc1cc([C@@H]2c3cc4nc5cc(Cl)c(Cl)cc5nc4cc3[C@H](O)[C@H]3COC(=O)[C@H]23)cc(OC)c1OC ZINC000029212614 KK Annotated Bother CCCN(CCNC(=O)c1cccc2nc3cccc(C)c3nc12)CCN(CCC)CCNC(=O)c1cccc2nc3cccc(C)c3nc12 ZINC000029212823 KK Annotated Bother O=C(/C=C/c1c(Cl)cccc1Cl)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccccn1)C(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000029214719 KK Annotated Anodyne O=C(/C=C/c1c(Cl)cccc1Cl)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1cccs1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000029214724 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(Cc4ccccc4Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000029214811 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@@H]3C=C(C(C)C)[C@]54C(=O)O)OC[C@H]2C)cc1 ZINC000029214816 KK Annotated Mild CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(c4ccc(Cl)s4)[C@H](C)CO2)[C@]13C(=O)O ZINC000029215251 KK Annotated Mild O=C1CN(Cc2cncn2Cc2cccc(Oc3ccccc3)c2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000029215724 KK Annotated Anodyne CC1(CCCCN2CCN(c3nccs3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1 ZINC000029216585 KK Annotated Clean CC1=[N+](CCCCCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@@H]2CC=CC=C2C(N)=C1 ZINC000029216726 KK Annotated Anodyne in-vivo CC1=[N+](CCCCCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@H]2CC=CC=C2C(N)=C1 ZINC000029216731 KK Annotated Anodyne in-vivo CC1=[N+](CCCCCCCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@@H]2CC=CC=C2C(N)=C1 ZINC000029217204 KK Annotated Anodyne in-vivo CC1=[N+](CCCCCCCCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)[C@H]2CC=CC=C2C(N)=C1 ZINC000029217209 KK Annotated Anodyne in-vivo CC(C)C1=C[C@H]2C[C@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(CO[C@H]2CN(CC=C(Cl)Cl)[C@H](C)CO2)[C@]13C(=O)O ZINC000029217442 KK Annotated Mild O=C1CN2CCCC[C@H]2c2c1c1ccccc1n2CCCNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000029217953 KK Annotated Anodyne O=C1CN2CCCC[C@@H]2c2c1c1ccccc1n2CCCNS(=O)(=O)c1cc(Cl)sc1Cl ZINC000029217958 KK Annotated Anodyne C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(F)(F)F ZINC000029218000 KK Annotated Mild COc1ccc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)oc4ccccc34)cc2)cc1OC ZINC000029220223 KK Annotated Anodyne COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1OC ZINC000029220263 KK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc(OCc3ccc(Br)cc3F)c3cc(Br)ccc3n2)cc1)OCC ZINC000029220604 KK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc(OCc3ccccc3)c3cc(OC)c(OC)cc3n2)cc1)OCC ZINC000029221340 KK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc(OCC(=O)O)c3cc(Br)ccc3n2)cc1)OCC ZINC000029221344 KK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc(Oc3ccccc3)c3cc(Br)ccc3n2)cc1)OCC ZINC000029221902 KK Annotated Anodyne COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)oc4ccccc34)cc2)cc(OC)c1OC ZINC000029222020 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H](c2ccccc2)[C@H](CN2CCC3(CC2)CSc2ccccc23)C1 ZINC000029222842 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1C[C@H](CN2CCC3(CC2)CSc2ccccc23)[C@@H](c2ccccc2)C1 ZINC000029223248 KK Annotated Anodyne O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4nc5ccccc5s4)c3)oc12 ZINC000029223524 KK Annotated Anodyne CCOP(=O)(Cc1ccc(-c2nc3ccc(Br)cc3c(=O)n2Cc2ccc(Br)cc2F)cc1)OCC ZINC000029223725 KK Annotated Anodyne Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000029224150 KK Annotated Mild Oc1ccccc1-c1c2ccc(n2)c(-c2ccccc2O)c2ccc([nH]2)c(-c2ccccc2O)c2ccc([nH]2)c(-c2ccccc2O)c2ccc1n2 ZINC000029224364 KK Annotated Bother Fc1cccc(-c2c3ccc(n3)c(-c3cccc(F)c3)c3ccc([nH]3)c(-c3cccc(F)c3)c3ccc([nH]3)c(-c3cccc(F)c3)c3ccc2n3)c1 ZINC000029224369 KK Annotated Bother CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CNC(=O)OCc2ccccc2)c1=O ZINC000029224379 KK Annotated Anodyne CCC[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 ZINC000029224474 KK Annotated Bother CSCC[C@@H](N)C(=O)OCCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029224652 KK Annotated Anodyne CSCC[C@H](N)C(=O)OCCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000029224657 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)Cc2ccccc2)c1=O ZINC000029224693 KK Annotated Anodyne CCCCOP(=O)(OCCCC)C(Cc1ccc(Cl)cc1)P(=O)(OCCCC)OCCCC ZINC000029225643 KK Annotated Anodyne Fc1cnccc1-c1c2ccc(n2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc([nH]2)c(-c2ccncc2F)c2ccc1n2 ZINC000029226158 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cnc4ccccc4c3)ccc2[nH]1 ZINC000029226242 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3ccc4ccccc4c3)ccc2[nH]1 ZINC000029226546 KK Annotated Reactive Fc1ccccc1-c1c2ccc(n2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc([nH]2)c(-c2ccccc2F)c2ccc1n2 ZINC000029227860 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4cn3)ccc2[nH]1 ZINC000029228021 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc2[nH]1 ZINC000029228101 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2o1 ZINC000029228691 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000029228698 KK Annotated Reactive N#CN=C1N(Cc2ccc3ccccc3c2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1 ZINC000029228806 KK Annotated Mild Clc1ccc(N=c2ccn(CCCCCCCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029229433 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](C(=O)NCc1ccccc1)N(Cc1cncn1C)S(=O)(=O)c1ccccc1 ZINC000029229684 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](C(=O)NCc1ccccc1)N(Cc1cncn1C)S(=O)(=O)c1ccccc1 ZINC000029229690 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4o3)ccc2[nH]1 ZINC000029231407 KK Annotated Reactive CCCC[C@H](CC)CN=c1ccn(CCCCCCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029232422 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCCCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029232429 KK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029232436 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029232448 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029232454 KK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029232462 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029233136 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029233143 KK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029233149 KK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029233238 KK Annotated Anodyne Clc1ccc(N=c2ccn(CCCCCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029233331 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@H](N)C(C)C)c1=O ZINC000029233820 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@@H](N)C(C)C)c1=O ZINC000029233828 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)cccc4o3)ccc2[nH]1 ZINC000029234043 KK Annotated Reactive CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@@H](N)Cc2ccccc2)c1=O ZINC000029235476 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cn(CCOC(=O)[C@H](N)Cc2ccccc2)c1=O ZINC000029235484 KK Annotated Anodyne CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCOC(=O)CCNC(=O)OCc2ccccc2)c1=O ZINC000029235656 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029235805 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029235812 KK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029235818 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4cn3)ccc2[nH]1 ZINC000029235972 KK Annotated Reactive [O-][n+]1ccc(C[C@@H](c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000029236877 KK Annotated Anodyne [O-][n+]1ccc(C[C@H](c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 ZINC000029236884 KK Annotated Anodyne CC[C@@H](OC(=O)/C=C/c1ccccc1)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029237053 KK Annotated Anodyne CC[C@H](OC(=O)/C=C/c1ccccc1)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 ZINC000029237060 KK Annotated Anodyne Clc1ccc(N=c2ccn(CCCCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029237388 KK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(Cc2cccc(F)c2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029237547 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 ZINC000029237807 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1 ZINC000029237814 KK Annotated Reactive Clc1ccc(N=c2ccn(CCCCCCCCCn3ccc(=Nc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000029237939 KK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(Cc2ccc(F)cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029237959 KK Annotated Mild CCCCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029238123 KK Annotated Reactive CCCCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029238131 KK Annotated Reactive CCCCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029238139 KK Annotated Reactive CCCCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029238147 KK Annotated Reactive C[C@@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(C(=O)O)(C(=O)O)O[C@H]1C(=O)O ZINC000029238357 KK Annotated Anodyne C[C@@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(C(=O)O)(C(=O)O)O[C@@H]1C(=O)O ZINC000029238366 KK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(C(=O)c2cccc(Cl)c2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000029238439 KK Annotated Mild CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029239361 KK Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)cc(F)c2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029239369 KK Annotated Bother O=C(O)CCSC(SCCC(=O)O)c1ccccc1CCCCCCCCCCCC(F)(F)F ZINC000029239427 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4o3)ccc2[nH]1 ZINC000029240726 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000029240733 KK Annotated Reactive C[C@@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029240761 KK Annotated Anodyne C[C@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029240769 KK Annotated Anodyne C[C@@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029240773 KK Annotated Anodyne C[C@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029240783 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4cn3)ccc2[nH]1 ZINC000029241300 KK Annotated Reactive CCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241331 KK Annotated Reactive CCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241339 KK Annotated Reactive CCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241346 KK Annotated Reactive CCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241354 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4cn3)ccc2[nH]1 ZINC000029241473 KK Annotated Reactive CCCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241540 KK Annotated Reactive CCCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241550 KK Annotated Reactive CCCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241558 KK Annotated Reactive CCCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000029241566 KK Annotated Reactive CCCC[C@H](CC)CN=c1ccn(CCCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029242256 KK Annotated Anodyne CCCC[C@H](CC)CN=c1ccn(CCCCCCCCCn2ccc(=NC[C@@H](CC)CCCC)cc2)cc1 ZINC000029242262 KK Annotated Anodyne CCCC[C@@H](CC)CN=c1ccn(CCCCCCCCCn2ccc(=NC[C@H](CC)CCCC)cc2)cc1 ZINC000029242267 KK Annotated Anodyne CCCCCCN=c1ccn(CCCCCCCCCCCCCCn2ccc(=NCCCCCC)cc2)cc1 ZINC000029242310 KK Annotated Anodyne c1cc2[nH]c(-c3ccc4[nH]c(CCCCc5nc6ccc(-c7nc8cc(C9=NCCN9)ccc8[nH]7)cc6[nH]5)nc4c3)nc2cc1C1=NCCN1 ZINC000029242553 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029242589 KK Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2cc(F)c(F)cc2[N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000029242594 KK Annotated Bother C[C@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(C(=O)O)(C(=O)O)O[C@@H]1C(=O)O ZINC000029243435 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029243521 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029243527 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029243533 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029243540 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029243547 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029243554 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029243559 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029243567 KK Annotated Mild C#CCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000029243646 KK Annotated Mild C#CCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000029243652 KK Annotated Mild C#CCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029243658 KK Annotated Mild C#CCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029243664 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029243714 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029243721 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029243729 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029243736 KK Annotated Mild CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CCc2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029244767 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CCc2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029244775 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CCc2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029244781 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CCc2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029244789 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029245075 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029245083 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029245092 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029245099 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029245253 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029245262 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029245269 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029245277 KK Annotated Mild CC(C)n1nc(-c2cccc(C(F)(F)F)c2)c2c1/C(=C/c1cccc(C(F)(F)F)c1)CS(=O)(=O)C2 ZINC000029245300 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C ZINC000029246767 KK Annotated Bother CC(C)(C)OC(=O)CC[C@H](Nc1ccc(CN(CCCc2c(N)nc(N)[nH]c2=O)c2ccc([N+](=O)[O-])c(F)c2F)cc1)C(=O)OC(C)(C)C ZINC000029246773 KK Annotated Bother CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cccc3c2C(=O)C(N2CC2)=C(N2CC2)C3=O)c(C(C)C)c1 ZINC000029247454 KK Annotated Mild C[C@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(C(=O)O)(C(=O)O)O[C@H]1C(=O)O ZINC000029248113 KK Annotated Anodyne C[C@@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(C(=O)O)(C(=O)O)O[C@@H]1C(=O)O ZINC000029248129 KK Annotated Anodyne C[C@@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc2c(c1)OCO2)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(C(=O)O)(C(=O)O)O[C@H]1C(=O)O ZINC000029248498 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC2CC2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029248968 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC2CC2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029248975 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@H]3C2=NN(CC2CC2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029248980 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C2\CS(=O)(=O)C[C@@H]3C2=NN(CC2CC2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000029248985 KK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000029249089 KK Annotated Mild C[C@@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029249835 KK Annotated Anodyne C[C@H]([C@@H](C/C=C/c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029249841 KK Annotated Anodyne C[C@@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029249847 KK Annotated Anodyne C[C@H]([C@H](C/C=C/c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000029249853 KK Annotated Anodyne COC1=C(OC)[C@@]2(OC)c3c(O)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](OC)C[C@H](c1ccccc1)O4 ZINC000029250488 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)cccc4cn3)ccc2[nH]1 ZINC000029250494 KK Annotated Reactive COC1=C(OC)[C@@]2(OC)c3c(OC)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](OC)C[C@H](c1ccccc1)O4 ZINC000029250623 KK Annotated Mild COC1=C(OC)[C@@]2(OC)c3c(O)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](O)C[C@H](c1ccccc1)O4 ZINC000029250629 KK Annotated Mild Cc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029251065 KK Annotated Anodyne Cc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000029251071 KK Annotated Anodyne CC(=O)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029251193 KK Annotated Anodyne CC(=O)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029251199 KK Annotated Anodyne CC(=O)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000029251207 KK Annotated Anodyne CC(=O)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000029251211 KK Annotated Anodyne CCCC(=O)Oc1c(Oc2ccccc2)c(Oc2ccccc2)c(OC(=O)CCC)c2cc(Cl)ccc12 ZINC000029251766 KK Annotated Anodyne C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C\c2ccccc2)[C@H]1SSc1nc2ccccc2s1 ZINC000029252313 KK Annotated Reactive COc1ccc2c(c1)[C@H](OP(=O)(Cc1cccc3ccccc13)O[C@@H]1OC(=O)c3ccc(OC)cc31)OC2=O ZINC000029252792 KK Annotated Anodyne COc1ccc2c(c1)[C@H](OP(=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3ccc(OC)cc31)OC2=O ZINC000029252817 KK Annotated Anodyne COc1ccc2c(c1)[C@@H](OP(=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3ccc(OC)cc31)OC2=O ZINC000029252833 KK Annotated Anodyne C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/OC(=O)C(C)(C)C)[C@H]1SSc1nc2ccccc2s1 ZINC000029252856 KK Annotated Reactive C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/C(=O)OC(C)(C)C)[C@H]1SSc1nc2ccccc2s1 ZINC000029253116 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029253825 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029253832 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029253838 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029253843 KK Annotated Mild CC1(C)Oc2ccc3ccc(=S)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029254054 KK Annotated Anodyne CC1(C)Oc2ccc3ccc(=S)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029254062 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029254193 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029254201 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029254208 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029254215 KK Annotated Mild CCCc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029254232 KK Annotated Anodyne CCCc1cc(=S)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000029254238 KK Annotated Anodyne C=CCN(C)C(=O)/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029306280 KK Annotated Mild C=CCN(C)C(=O)/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029306286 KK Annotated Mild C=CCN(C)C(=O)/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029306289 KK Annotated Mild C=CCN(C)C(=O)/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029306295 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029307002 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029307008 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029307014 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029307019 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029307025 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029307030 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029307036 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029307042 KK Annotated Mild CC1(C)Oc2ccc3c(-c4ccccc4)cc(=S)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029307122 KK Annotated Anodyne CC1(C)Oc2ccc3c(-c4ccccc4)cc(=S)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000029307128 KK Annotated Anodyne CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029308462 KK Annotated Anodyne CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029308467 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029308978 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029308984 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029308992 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029308998 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029309645 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029309650 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029309656 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029309662 KK Annotated Mild COc1cc2c(cc1OC)-c1cc(Nc3c(Br)cc(Br)cc3Br)nc(=O)n1CC2 ZINC000029310144 KK Annotated Anodyne CC(C)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029310281 KK Annotated Anodyne CC(C)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000029310287 KK Annotated Anodyne O=Cc1ccc(C2(C(F)(F)F)N=N2)cc1OCCCCCCCC/C=C/CCCCCCCC(=O)O ZINC000029310847 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000029311338 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000029311344 KK Annotated Mild C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)[C@H]1SSc1nc2ccccc2s1 ZINC000029311450 KK Annotated Reactive COc1cccc2c1[C@H](OP(=O)(Cc1cccc3ccccc13)O[C@@H]1OC(=O)c3cccc(OC)c31)OC2=O ZINC000029313009 KK Annotated Anodyne COc1cccc2c1[C@H](OP(=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3cccc(OC)c31)OC2=O ZINC000029313015 KK Annotated Anodyne COc1cccc2c1[C@@H](OP(=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3cccc(OC)c31)OC2=O ZINC000029313025 KK Annotated Anodyne C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccccc2)[C@H]1SSc1nc2ccccc2s1 ZINC000029313868 KK Annotated Reactive COc1cccc2c1C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c(OC)cccc21 ZINC000029313956 KK Annotated Anodyne COc1cccc2c1C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@@H]1OC(=O)c2c(OC)cccc21 ZINC000029313962 KK Annotated Anodyne COc1cccc2c1C(=O)O[C@@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c(OC)cccc21 ZINC000029313967 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029313978 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029313984 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029313990 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029313995 KK Annotated Mild N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000029314831 KK Annotated Bother C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029315401 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029315406 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029315411 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029315416 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029315474 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029315478 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029315483 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029315487 KK Annotated Mild CCOc1cccc2c1C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c(OCC)cccc21 ZINC000029316270 KK Annotated Anodyne CCOc1cccc2c1C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@@H]1OC(=O)c2c(OCC)cccc21 ZINC000029316275 KK Annotated Anodyne CCOc1cccc2c1C(=O)O[C@@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c(OCC)cccc21 ZINC000029316280 KK Annotated Anodyne C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)/C(=C/OC(=O)C(C)(C)C)[C@H]1SSc1nc2ccccc2s1 ZINC000029316859 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029317550 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029317555 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029317560 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029317565 KK Annotated Mild CCN(CC)CCn1nc2c3c(OC)cccc3sc3c(NCCNC(=O)OC(C)(C)C)ccc1c32 ZINC000029317884 KK Annotated Bother C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N4CCOCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029317924 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N4CCOCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029317929 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N4CCOCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029317934 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N4CCOCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029317938 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029318050 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029318055 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029318059 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029318064 KK Annotated Mild O=C1c2ccccc2C(=O)N1[C@@H]1C(=O)N(c2cc3c4ccccc4ccc3c3ccccc23)[C@H]1c1ccccc1 ZINC000029318265 KK Annotated Bother O=C1[C@H](N2C(=O)c3ccccc3C2=O)[C@H](c2ccccc2)N1c1cc2c3ccccc3ccc2c2ccccc12 ZINC000029318270 KK Annotated Bother C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H]1SSc1nc2ccccc2s1 ZINC000029318506 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)Nc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029318566 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)Nc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029318571 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)Nc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029318576 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)Nc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029318582 KK Annotated Mild COc1cc2c(c(OC)c1OC)C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@@H]1OC(=O)c2c1cc(OC)c(OC)c2OC ZINC000029318847 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)O[C@@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c1cc(OC)c(OC)c2OC ZINC000029318851 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccco4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029319097 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccco4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029319103 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccco4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029319108 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccco4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029319114 KK Annotated Mild COc1cc(OC)c2c(c1)[C@H](OP(=O)(Cc1cccc3ccccc13)O[C@@H]1OC(=O)c3c(OC)cc(OC)cc31)OC2=O ZINC000029319187 KK Annotated Anodyne COc1cc(OC)c2c(c1)[C@H](OP(=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3c(OC)cc(OC)cc31)OC2=O ZINC000029319192 KK Annotated Anodyne COc1cc(OC)c2c(c1)[C@@H](OP(=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3c(OC)cc(OC)cc31)OC2=O ZINC000029319200 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029319243 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029319249 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029319255 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029319263 KK Annotated Mild Cc1ccc2c(c1-c1ccccc1)C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c1ccc(C)c2-c1ccccc1 ZINC000029319357 KK Annotated Anodyne Cc1ccc2c(c1-c1ccccc1)C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@@H]1OC(=O)c2c1ccc(C)c2-c1ccccc1 ZINC000029319362 KK Annotated Anodyne Cc1ccc2c(c1-c1ccccc1)C(=O)O[C@@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c1ccc(C)c2-c1ccccc1 ZINC000029319368 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029319378 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000029319383 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029319388 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/CC(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000029319392 KK Annotated Mild O=C1O[C@@H](OP(=O)(Cc2cccc3ccccc23)O[C@@H]2OC(=O)c3c(Cl)ccc(Cl)c32)c2c(Cl)ccc(Cl)c21 ZINC000029319577 KK Annotated Anodyne O=C1O[C@@H](OP(=O)(Cc2cccc3ccccc23)O[C@H]2OC(=O)c3c(Cl)ccc(Cl)c32)c2c(Cl)ccc(Cl)c21 ZINC000029319582 KK Annotated Anodyne O=C1O[C@H](OP(=O)(Cc2cccc3ccccc23)O[C@H]2OC(=O)c3c(Cl)ccc(Cl)c32)c2c(Cl)ccc(Cl)c21 ZINC000029319589 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2ccccc2)c(C(=O)c2ccccc2)c1 ZINC000029320327 KK Annotated Bother N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000029320331 KK Annotated Bother N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000029320336 KK Annotated Bother CCCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 ZINC000029320430 KK Annotated Reactive CCCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 ZINC000029320434 KK Annotated Reactive COc1cc(O)c2c(c1C)C(=O)CCCCC/C(S)=N/[C@H](c1nc(CNC(C)C)no1)CSC2 ZINC000029320931 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2ccccc2C(F)(F)F)c(C(=O)c2ccccc2)c1 ZINC000029321176 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2cccc(C(F)(F)F)c2)c(C(=O)c2ccccc2)c1 ZINC000029321928 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1 ZINC000029322801 KK Annotated Bother CCN(CC)CCn1nc2c3c(OC)cccc3sc3c(NC(=O)CNC(=O)OC(C)(C)C)ccc1c32 ZINC000029322997 KK Annotated Bother O=C(O)CCCCCCC/C=C/CCCCCCCCOc1cc(C2(C(F)(F)F)N=N2)ccc1I ZINC000029323301 KK Annotated Anodyne CCCO[C@@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000029323639 KK Annotated Bother CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 ZINC000029326455 KK Annotated Reactive COc1ccc(CCC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)cc1 ZINC000029326995 KK Annotated Bother CC(C)Oc1cccc(CC(=O)N2CCC[C@@](CC[N+]3(C)CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000029327324 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2ccc(O)cc2)c(C(=O)c2ccccc2)c1 ZINC000029327519 KK Annotated Bother CCOc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029328206 KK Annotated Anodyne CCOc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029328211 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000029328271 KK Annotated Bother CCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000029328291 KK Annotated Bother CN(CC#CCCC1(C2(O)c3ccccc3Sc3ccccc32)SCCCS1)CCCc1ccccc1 ZINC000029328732 KK Annotated Mild CS(=O)(=O)Nc1ccc2nc(-c3ccccc3)cc(Nc3ccc(OCC4CCCCC4)cc3)c2c1 ZINC000029328737 KK Annotated Anodyne COc1cccc(CN2CCC[C@@H]2C/N=C(\S)N2Cc3ccccc3C[C@H]2CNC(=O)Nc2ccccc2)c1OC ZINC000029329231 KK Annotated Mild COc1ccc([C@@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000029329241 KK Annotated Anodyne COc1ccc([C@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)cc1 ZINC000029329245 KK Annotated Anodyne Cc1ccc(CCC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)cc1 ZINC000029330132 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2ccc(C(F)(F)F)cc2)c(C(=O)c2ccccc2)c1 ZINC000029330136 KK Annotated Bother CN1C(=O)CS[C@@H](c2cccc(Cl)c2)c2cc([C@@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000029330478 KK Annotated Anodyne CN1C(=O)CS[C@H](c2cccc(Cl)c2)c2cc([C@@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000029330483 KK Annotated Anodyne CN1C(=O)CS[C@@H](c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000029330488 KK Annotated Anodyne CN1C(=O)CS[C@H](c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cncn3C)ccc21 ZINC000029330494 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)CCc2ccc(F)cc2)c(C(=O)c2ccccc2)c1 ZINC000029330883 KK Annotated Bother CCN(CC)CCn1nc2c3ccc(OC)cc3sc3c(NC(=O)CNC(=O)OC(C)(C)C)ccc1c32 ZINC000029331201 KK Annotated Bother CC[C@@H](c1ccc(O)cc1)[C@H](CCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(O)cc1 ZINC000029332411 KK Annotated Anodyne CC(C)(C)C(=O)OCOC(=O)C[C@@H](O)C[P@@](=O)(CCc1c(Cl)cc(Cl)cc1OCc1ccccc1)OCOC(=O)C(C)(C)C ZINC000029332541 KK Annotated Anodyne CC(C)(C)C(=O)OCOC(=O)C[C@H](O)C[P@@](=O)(CCc1c(Cl)cc(Cl)cc1OCc1ccccc1)OCOC(=O)C(C)(C)C ZINC000029332546 KK Annotated Anodyne CC(C)(C)C(=O)OCOC(=O)C[C@@H](O)C[P@](=O)(CCc1c(Cl)cc(Cl)cc1OCc1ccccc1)OCOC(=O)C(C)(C)C ZINC000029332552 KK Annotated Anodyne CC(C)(C)C(=O)OCOC(=O)C[C@H](O)C[P@](=O)(CCc1c(Cl)cc(Cl)cc1OCc1ccccc1)OCOC(=O)C(C)(C)C ZINC000029332557 KK Annotated Anodyne CCN(CC)CCn1nc2c3ccc(OC)cc3sc3c(NCCNC(=O)OC(C)(C)C)ccc1c32 ZINC000029333888 KK Annotated Bother CN(CC#CCCC1(C2(O)c3ccccc3Sc3ccccc32)SCCCS1)CCCCc1ccccc1 ZINC000029334795 KK Annotated Mild CCc1c(C)c2cc3[nH]c(cc4nc(c5c(=O)n(C)c(=O)c6c(C)c(cc1[nH]2)nc56)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3[C@@H](C)OC ZINC000029335565 KK Annotated Bother N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCOC(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000029336407 KK Annotated Bother N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000029336455 KK Annotated Bother N[C@H](CO)[C@H](O)/C=C/CCCCCCCCCCNS(=O)(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000029336459 KK Annotated Bother CCCCNC(=O)[C@@H](C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000029336507 KK Annotated Anodyne CCCCNC(=O)[C@H](C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000029336511 KK Annotated Anodyne CCCCNC(=O)[C@@H](C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000029336515 KK Annotated Anodyne CCCCNC(=O)[C@H](C[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000029336519 KK Annotated Anodyne COc1ccccc1[C@@H]1C(C(=O)OCCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029336792 KK Annotated Anodyne COc1ccccc1[C@H]1C(C(=O)OCCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029336796 KK Annotated Anodyne Cn1ccc(=Nc2ccc(S(=O)(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000029337348 KK Annotated Anodyne COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C(C)C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029338552 KK Annotated Anodyne COc1ccccc1[C@H]1C(C(=O)OCCN(C)C)=C(C(C)C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000029338556 KK Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2cc(CN3CCCC3)c(O)c(CN3CCCC3)c2)c(Cl)c1Cl ZINC000029338660 KK Annotated Clean CCOC(=O)COc1ccc(C(=O)c2cc(CN(CC)CC)c(O)c(CN(CC)CC)c2)c(Cl)c1Cl ZINC000029338664 KK Annotated Clean C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000029338704 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@H](C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000029338708 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)[C@@H](C)[C@H]([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000029338712 KK Annotated Mild C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)[C@@H](C)[C@@H]([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000029338716 KK Annotated Mild COc1cccc([C@@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)c1 ZINC000029340467 KK Annotated Anodyne COc1cccc([C@H]2C(C(=O)OCCN(C)C)=C(C)N=C3SC(c4c(Cl)cccc4Cl)=CN32)c1 ZINC000029340470 KK Annotated Anodyne O=C(NC[C@@H]1Cc2ccccc2CN1C(=S)NC[C@H]1CCCN1Cc1ccc2ccccc2c1)Nc1ccccc1 ZINC000029340713 KK Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000029341142 KK Annotated Bother CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341463 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341465 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2F)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341468 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2F)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000029341471 KK Annotated Anodyne CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2nc(C3CCC3)cs2)c1 ZINC000029342261 KK Annotated Anodyne CSC(CCCCCCCCCC(=O)/C=C(\C)C[C@@H]1OC[C@@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O)(SC)SC ZINC000029342413 KK Annotated Mild CSC(CCCCCCCCCC(=O)/C=C(\C)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O)(SC)SC ZINC000029342415 KK Annotated Mild C[C@@H](CC(F)(F)F)c1csc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)O)CC3)c2)n1 ZINC000029342922 KK Annotated Anodyne C[C@H](CC(F)(F)F)c1csc(/C=C/c2cccc([C@@H](CCc3ccccc3C(C)(C)O)SCC3(CC(=O)O)CC3)c2)n1 ZINC000029342926 KK Annotated Anodyne CCOC(=O)COc1ccc(C(=O)c2cc(CN3CCCCC3)c(O)c(CN3CCCCC3)c2)c(Cl)c1Cl ZINC000029343592 KK Annotated Clean COc1ccccc1[C@H](SC)C(=O)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@@H]2C1 ZINC000029343600 KK Annotated Anodyne COc1ccccc1[C@H](SC)C(=O)N1C[C@@H]2[C@H](C1)C(=O)CSC2(c1ccccc1)c1ccccc1 ZINC000029343604 KK Annotated Anodyne COc1ccccc1[C@H](SC)C(=O)N1C[C@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000029343608 KK Annotated Anodyne COc1ccccc1[C@H](SC)C(=O)N1C[C@@H]2C(=O)CSC(c3ccccc3)(c3ccccc3)[C@H]2C1 ZINC000029343613 KK Annotated Anodyne CN(CC#CCCC1([C@@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1)CCCc1ccccc1 ZINC000029344335 KK Annotated Mild CN(CC#CCCC1([C@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1)CCCc1ccccc1 ZINC000029344338 KK Annotated Mild CCCCOC(=O)Oc1cc(OC(=O)OCCCC)c2c(c1)C(=O)c1cc(C)cc(OC(=O)OCCCC)c1C2=O ZINC000029344748 KK Annotated Clean COc1ccccc1CN1CCC[C@@H]1C/N=C(\S)N1Cc2ccccc2C[C@H]1CNC(=O)Nc1ccccc1 ZINC000029345774 KK Annotated Mild S=c1[nH]ncn1[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029346848 KK Annotated Anodyne S=c1[nH]ncn1[C@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029346852 KK Annotated Anodyne S=c1[nH]ncn1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029346856 KK Annotated Anodyne S=c1[nH]ncn1[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000029346860 KK Annotated Anodyne CN(CC#CCCC1(C2(O)c3ccccc3Oc3ccccc32)SCCCS1)CCCCc1ccccc1 ZINC000029347361 KK Annotated Mild CNC(=O)c1ccc(/C=C/C(=O)NCC(=O)N(C)c2ccc(C)c(COc3cccc4c(-c5ccccc5)cc(C)nc34)c2C)cc1 ZINC000029388602 KK Annotated Anodyne COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)[C@@](O)(c1ccccc1OC)CSC2(c1ccccc1)c1ccccc1 ZINC000029389493 KK Annotated Anodyne CCn1c(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)NC)cc4)c3Cl)cccc21 ZINC000029390360 KK Annotated Anodyne CN1C(=O)[C@]23C[C@@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000029390733 KK Annotated Anodyne CN1C(=O)[C@]23C[C@H]4C(C)(C)[C@@]5(C[C@@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000029390736 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(I)ccc12 ZINC000029391620 KK Annotated Clean CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2nc3cc(F)c(F)cc3s2)c1 ZINC000029392720 KK Annotated Anodyne COc1ccc(Cl)cc1Cc1c(NS(=O)(=O)C(F)(F)F)c(=O)[nH]c2ccc(C(F)(F)F)cc12 ZINC000029393329 KK Annotated Anodyne O=C(c1ccccc1Cl)c1c(N(CC2CCCCC2)CC2CCCCC2)sc2c1CCN(C(=O)C1CC1)C2 ZINC000029393551 KK Annotated Anodyne Cc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2occc2C)o1 ZINC000029394652 KK Annotated Reactive O=C1c2ccccc2C(=O)N1CCCCN1C(=O)[C@H](Cc2ccc(O)cc2)n2cccc2-c2ccccc21 ZINC000029395016 KK Annotated Anodyne CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000029395553 KK Annotated Mild CCCCCNC(=O)Nc1c(OCCCn2cnc(-c3ccc(OC)cc3)c2)c(Br)cc(Br)c1N(C)C ZINC000029395804 KK Annotated Anodyne C[C@@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)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 ZINC000029395830 KK Annotated Mild C[C@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)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 ZINC000029395833 KK Annotated Mild C[C@@H](C[C@@H](C)CC#CC(O)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029395836 KK Annotated Mild C[C@H](CC#CC(O)(C(F)(F)F)C(F)(F)F)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 ZINC000029395839 KK Annotated Mild CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2nc(C3CCCC3)cs2)c1 ZINC000029396178 KK Annotated Anodyne C[C@@H](CCCC(O)(C(F)(F)F)C(F)(F)F)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 ZINC000029396736 KK Annotated Anodyne C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)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 ZINC000029396739 KK Annotated Anodyne C[C@@H](CCCC(O)(C(F)(F)F)C(F)(F)F)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 ZINC000029396742 KK Annotated Anodyne C[C@@H](C[C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)[C@@]1(C)CC[C@@H](/C=C/C=C2C[C@@H](O)C[C@H](O)C2)C1(C)C ZINC000029396745 KK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@@H](CSCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029397539 KK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@@H](CSCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029397542 KK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@H](CSCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029397545 KK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@H](CSCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1 ZINC000029397549 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCCN1C(=O)[C@H](Cc2ccc(O)cc2)n2cccc2-c2ccccc21 ZINC000029398438 KK Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](C3)N(C(=O)OCCCc3ccccc3)C(=O)[C@@H]2CCCCC(=N)N)c1 ZINC000029398722 KK Annotated Anodyne CCOP(=O)(OCC)N1C(=O)[C@H](CCCCC(=N)N)[C@H]2c3ccc(-c4cccc(C(=O)N(CC)CC)c4)cc3C[C@@H]21 ZINC000029399526 KK Annotated Anodyne Cc1c(SSc2c(C)n(C)n(-c3ccc4ccccc4c3)c2=O)c(=O)n(-c2ccc3ccccc3c2)n1C ZINC000029399864 KK Annotated Reactive CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)[C@H]2[C@H](C3)N(S(=O)(=O)c3ccccc3)C(=O)[C@@H]2CCCCC(=N)N)c1 ZINC000029400866 KK Annotated Anodyne CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000029401197 KK Annotated Bother CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000029401201 KK Annotated Bother CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)c(CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000029401205 KK Annotated Bother CC[C@H](c1ccc(O)c(CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1)[C@@H](CC)c1ccc(O)cc1 ZINC000029401209 KK Annotated Bother CC1=C([N+](=O)[O-])[C@@H](c2ccccc2C(F)(F)F)[C@H](C(=O)c2ccccc2)C(/C=C(\O)c2ccccc2)=N1 ZINC000029402182 KK Annotated Anodyne CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)C[C@H]2[C@H]3[C@@H](CCCCC(=N)N)C(=O)N2C(=O)OCCCc2ccccc2)c1 ZINC000029402602 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1OC(=O)CNC(=O)OC(C)(C)C ZINC000029402757 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1OC(=O)CNC(=O)OC(C)(C)C ZINC000029402761 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]5[C@@H](C[C@]4(C)C3=CC[C@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000029403040 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H]5[C@@H](C[C@]4(C)C3=CC[C@@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000029403043 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]5[C@@H](C[C@]4(C)C3=CC[C@H]2[C@]1(C)C(=O)O)OC(=O)[C@@H]5CC(=O)C=C(C)C ZINC000029403046 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC=C3[C@@H]2CC[C@@]2(C)[C@H]4[C@@H](C[C@]32C)OC(=O)[C@@H]4CC(=O)C=C(C)C)[C@]1(C)C(=O)O ZINC000029403049 KK Annotated Anodyne CCOC(=O)[C@@H]1/C(=C/C(=O)c2ccc(N(C)C)cc2)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccc1C(F)(F)F ZINC000029403568 KK Annotated Mild CN(CCCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCCNc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000029403999 KK Annotated Anodyne C/C1=C/CC[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)COC(=O)c2ccccc2)c2ccc(cc2C(=O)O)C[C@@H](O)CC1 ZINC000029404970 KK Annotated Anodyne CN(CCCn1c(N)nc2cc(Cl)c(Cl)cc21)CCCn1c(N)nc2cc(Cl)c(Cl)cc21 ZINC000029406511 KK Annotated Anodyne CC(C)[C@H](OC(=O)N[C@@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 ZINC000029406813 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000029407226 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000029407229 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000029407232 KK Annotated Anodyne COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1OC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000029407237 KK Annotated Anodyne C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2ccc(F)cc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000029407377 KK Annotated Bother C[C@H](CNCCNC[C@@H](C)N1C(=O)c2cccc3c2c(cc2ccc(C(F)(F)F)cc23)C1=O)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O ZINC000029407380 KK Annotated Bother CCn1ccc(=O)n2nc(-c3ccccc3)c(SSc3c(-c4ccccc4)nn4c(=O)ccn(CC)c34)c12 ZINC000029408383 KK Annotated Reactive O=S1(=O)N(Cc2ccccc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000029408646 KK Annotated Anodyne O=S1(=O)N(Cc2ccccc2)[C@@H](COc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000029408649 KK Annotated Anodyne O=S1(=O)N(Cc2ccccc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000029408652 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccccc1 ZINC000029408655 KK Annotated Anodyne CN(CCCn1c(N)nc2cc(C(F)(F)F)ccc21)CCCn1c(N)nc2cc(C(F)(F)F)ccc21 ZINC000029408908 KK Annotated Anodyne C=CCNC(=S)Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 ZINC000029409260 KK Annotated Mild O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCC1)C2=O)c1ccc2ccccc2c1 ZINC000029410332 KK Annotated Anodyne CC(C)C[C@@H](Oc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1)C(=O)O ZINC000029411309 KK Annotated Anodyne aggregator CC(C)C[C@H](Oc1ccc(OC(=O)c2cc(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)c2)cc1)C(=O)O ZINC000029411312 KK Annotated Anodyne aggregator C[C@H](OC(=O)c1cccc2nc3c([C@@H](C)OC(=O)c4cccc(Cl)c4)cccc3nc12)c1cccc2nc3c(C(=O)O)cccc3nc12 ZINC000029414451 KK Annotated Bother C[C@H](OC(=O)c1cccc(Cl)c1)c1cccc2nc3c(C(=O)O[C@@H](C)c4cccc5nc6c(C(=O)O)cccc6nc45)cccc3nc12 ZINC000029414454 KK Annotated Bother C[C@@H](OC(=O)c1cccc(Cl)c1)c1cccc2nc3c(C(=O)O[C@H](C)c4cccc5nc6c(C(=O)O)cccc6nc45)cccc3nc12 ZINC000029414457 KK Annotated Bother C[C@H](OC(=O)c1cccc(Cl)c1)c1cccc2nc3c(C(=O)O[C@H](C)c4cccc5nc6c(C(=O)O)cccc6nc45)cccc3nc12 ZINC000029414461 KK Annotated Bother CC(=O)N[C@H](CC(C)C)C(=O)N(CCCCCO)C1(C(=O)N/C=C\c2c[nH]c3cc(OCc4ccccc4)ncc23)CCN(Cc2ccccc2)CC1 ZINC000029415401 KK Annotated Anodyne CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000029415452 KK Annotated Clean C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1C3 ZINC000029416112 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1C3 ZINC000029416115 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1C3 ZINC000029416118 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1C3 ZINC000029416121 KK Annotated Mild CC(=O)N1CCC[C@H]1C(=O)N(C1CCCCC1)C1(C(=O)N/C=C\c2c[nH]c3ccccc23)CCCCC1 ZINC000029416416 KK Annotated Anodyne CCN(CC)CCOc1ccc2cc3cc([N+](=O)[O-])c(OCCN(CC)CC)c(Cl)c3nc2c1Cl ZINC000029417046 KK Annotated Bother CCN(CC)CCOc1ccc2cc3ccc(OCCN(CC)CC)c(Br)c3nc2c1Br ZINC000029462918 KK Annotated Bother CCN(CC)CCOc1ccc2cc3cc([N+](=O)[O-])c(OCCN(CC)CC)c(Br)c3nc2c1Br ZINC000029462955 KK Annotated Bother O=C(Cn1c2c(c(=O)n3nc(-c4ccccc4)cc13)CN(C1CCCCCCCCCCC1)C2=O)c1ccccc1 ZINC000029463128 KK Annotated Anodyne CCN(CC)CCOc1cc([N+](=O)[O-])c2cc3cc([N+](=O)[O-])c(OCCN(CC)CC)c(Cl)c3nc2c1Cl ZINC000029463283 KK Annotated Bother CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1c(F)c(F)cc(F)c1F ZINC000029464036 KK Annotated Mild Cc1cc(/N=C(\N)c2ccccn2)cc(C)c1-c1ccc(-c2c(C)cc(/N=C(\N)c3ccccn3)cc2C)o1 ZINC000029464194 KK Annotated Mild CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(I)ccc12 ZINC000029464203 KK Annotated Clean CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc3ccccc3c2)n1-c1ccc(C(F)(F)F)cc1 ZINC000029465375 KK Annotated Mild Cc1ccc(/C(N)=N/c2ccc(-c3ccc(-c4ccc(/N=C(\N)c5ccc(C)cn5)cc4C)o3)c(C)c2)nc1 ZINC000029465469 KK Annotated Mild Cc1cc(/N=C(\N)c2ccc3ccccc3n2)ccc1-c1ccc(-c2ccc(/N=C(\N)c3ccc4ccccc4n3)cc2C)o1 ZINC000029466300 KK Annotated Mild COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)CCc4ccccn4)n3c2=O)c1 ZINC000029466904 KK Annotated Anodyne COc1cc(C/C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(/C(=O)O)c2ccc3nsnc3c2)cc(OC)c1OC ZINC000029467456 KK Annotated Mild CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000029467495 KK Annotated Clean CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CC[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O ZINC000029467980 KK Annotated Clean O=C(c1ccccc1SSc1ccccc1C(=O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O ZINC000029468660 KK Annotated Reactive C[C@@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469490 KK Annotated Anodyne C[C@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469494 KK Annotated Anodyne C[C@@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469497 KK Annotated Anodyne C[C@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@H]3CCOC3(C)C)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469500 KK Annotated Anodyne COC(=O)c1c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)cc3oc(=O)c2n1CCc1ccc(OC)c(OC)c1 ZINC000029469512 KK Annotated Anodyne COCOc1cc(OC)c(OC)cc1-c1c(-c2ccc(OC)c(OC)c2)c(C(=O)OC)n(CCc2ccc(OC)c(OC)c2)c1C(=O)OC ZINC000029469515 KK Annotated Anodyne C[C@@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469741 KK Annotated Anodyne C[C@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469745 KK Annotated Anodyne C[C@@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469748 KK Annotated Anodyne C[C@H](C(=O)NC1(c2ccccc2)CCC(N2CCC([C@H]3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000029469753 KK Annotated Anodyne COC(=O)c1ccccc1C1c2cc(I)c(N)cc2Oc2cc(N)c(I)cc21 ZINC000029469779 KK Annotated Anodyne CCc1sc(CCc2cc(OC(CC)CC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029470440 KK Annotated Anodyne C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029470491 KK Annotated Mild C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029470495 KK Annotated Mild C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029470499 KK Annotated Mild C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000029470502 KK Annotated Mild COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)CCc1ccccc1 ZINC000029470734 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470945 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H](O)[C@@H](/C=C/[C@@H](C[S@@](=O)c1ccc2ccccc2c1)NS(C)(=O)=O)Cc1ccccc1 ZINC000029470949 KK Annotated Anodyne Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc21 ZINC000029471040 KK Annotated Anodyne O=C(c1ccccc1SSc1ccccc1C(=O)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 ZINC000029472674 KK Annotated Reactive COc1ccc(C(=O)/C(Cc2cc(OC)c(OC)c(OC)c2)=C(\C(=O)O)c2ccc3nsnc3c2)cc1Cl ZINC000029472911 KK Annotated Mild CC[C@@H](OCc1ccccc1)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029473413 KK Annotated Anodyne CC[C@H](OCc1ccccc1)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029473418 KK Annotated Anodyne CCc1sc(CCc2cc(O[C@@H](C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029473643 KK Annotated Anodyne CCc1sc(CCc2cc(O[C@H](C)COC)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029473648 KK Annotated Anodyne CCN(CCc1ccccn1)Cc1c(C(C)(C)C)nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n12 ZINC000029473792 KK Annotated Anodyne CCc1sc(CCc2cc(OCCCc3cccnc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029474187 KK Annotated Anodyne CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000029474277 KK Annotated Anodyne C=CCSCc1c(O)c(CSCC=C)c2c(c1O)C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2 ZINC000029474615 KK Annotated Mild CC(=O)Oc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC(C)=O)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000029475093 KK Annotated Mild CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Br)cc2nc2c(OC)cccc12 ZINC000029475299 KK Annotated Clean CCC[C@@H](OCc1ccccc1)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029477060 KK Annotated Anodyne CCC[C@H](OCc1ccccc1)C(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 ZINC000029477064 KK Annotated Anodyne COc1cc(C(=O)NS(=O)(=O)c2ccccc2C)ccc1Cc1c[nH]c2ccc(NC(=O)CC3CCCC3)cc12 ZINC000029477171 KK Annotated Anodyne C=C(C(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccc3c(c2)CCO3)c2ccccc21)c1ccccc1OC ZINC000029477249 KK Annotated Anodyne COCOc1cc(OC)c(OC)cc1-c1c(-c2ccc(OC)c(OC)c2)c(C(=O)N(C)C)n(CCc2ccc(OC)c(OC)c2)c1C(=O)N(C)C ZINC000029478767 KK Annotated Anodyne O=C(O[C@@H]1Cc2c(O)c(CSCc3ccccc3)c(O)c(CSCc3ccccc3)c2O[C@@H]1c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 ZINC000029478984 KK Annotated Clean O=C(Cc1ccccc1OCc1ccccc1)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029480477 KK Annotated Anodyne O=C(CCCN1C(=O)CN=C(C2CCCCC2)c2ccccc21)Nc1ccc(N2CCC(N3CCCCC3)CC2)cc1 ZINC000029481012 KK Annotated Anodyne COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cccc12 ZINC000029481535 KK Annotated Clean Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)c2nnc(C(Cl)(Cl)Cl)n2-c2ccccc21 ZINC000029481700 KK Annotated Anodyne CCC(=O)Oc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC(=O)CC)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000029483002 KK Annotated Mild CCCCC(=O)Oc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC(=O)CCCC)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000029483005 KK Annotated Mild CCCC(=O)Oc1c(-c2c(C)cc3c(C(C)C)c(O)c(O)c(C#N)c3c2OC(=O)CCC)c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12 ZINC000029483389 KK Annotated Mild COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)N[C@H](C)c3ccccc3)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029483743 KK Annotated Anodyne C=C(C(=O)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccc(Br)cc2)c2ccccc21)c1ccccc1OC ZINC000029484412 KK Annotated Anodyne Oc1c(CN2CCCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1CN1CCCC1 ZINC000029485135 KK Annotated Clean COc1cc2c(c(OC(=O)c3ccc(Cl)cc3)c1OC)C(=O)[C@]1(OC)C=C[C@H]2N(c2ccccc2)O1 ZINC000029485965 KK Annotated Anodyne Cn1c(-c2cccnc2)c(CCCCCC(=O)N(CCO)CCCC[C@H](N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)C(=O)O)c2cc(Cl)ccc21 ZINC000029486274 KK Annotated Anodyne CO[C@@H]1[C@@H](Cn2cncn2)[C@H](COc2ccc(OC(C)(C)C)cc2)CC[C@@]1(C)CCSc1nccn1C ZINC000029486639 KK Annotated Anodyne O=C(OCC1c2ccccc2-c2ccccc21)N1C[C@@H]2[C@](C(=O)O)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029487925 KK Annotated Anodyne Cn1c(-c2cccnc2)c(CCCCCC(=O)NCCCC[C@H](N[C@@H]2CCc3ccccc3N(CC(=O)O)C2=O)C(=O)O)c2cc(Cl)ccc21 ZINC000029487968 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@](C(=O)Nc3ccccc3)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029488001 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)[C@]1([S@@](=O)c3ccccc3OC)CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029488261 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H]2[C@H](C1)[C@]1([S@](=O)c3ccccc3OC)CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029488264 KK Annotated Anodyne Oc1c(CN2CCOCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1CN1CCOCC1 ZINC000029488411 KK Annotated Clean COc1ccccc1CC(=O)N1C[C@@H]2[C@](NC(=O)OCc3ccccc3)(C1)[C@@H]1CC[C@@]2(c2ccccc2)c2ccccc21 ZINC000029489150 KK Annotated Anodyne Oc1c(Cl)cc(CCc2ccc(Cl)c(O)c2Cl)cc1-c1cc(CCc2ccc(Cl)c(O)c2Cl)cc(Cl)c1O ZINC000029490879 KK Annotated Anodyne in-vitro biogenic CSCC[C@@H](NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 ZINC000029493237 KK Annotated Mild CSCC[C@H](NC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 ZINC000029493242 KK Annotated Mild C[N+]1(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000029493263 KK Annotated Mild COc1ccccc1[C@H]1SCC(=O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000029493270 KK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1 ZINC000029493285 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000029493304 KK Annotated Bother [N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(C(=O)CCNC(=O)Cc2ccc(C(=O)c3ccccc3)cc2)CC1 ZINC000029493317 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(OC(C)=O)c(OC(C)=O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000029544972 KK Annotated Anodyne Cn1c(-c2cccnc2)c(CCCCCC(=O)NCCNCCCC[C@H](N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)C(=O)O)c2cc(Cl)ccc21 ZINC000029545384 KK Annotated Anodyne CCCS(=O)(=O)c1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1 ZINC000029546652 KK Annotated Anodyne CCCS(=O)(=O)c1cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1 ZINC000029546657 KK Annotated Anodyne CC(=O)OC[C@@]12CCC(C)(C)C[C@@H]1[C@H]1[C@H](OC(C)=O)C[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000029548812 KK Annotated Anodyne CC(=O)OC[C@]12CCC(C)(C)C[C@@H]1[C@H]1[C@H](OC(C)=O)C[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000029548815 KK Annotated Anodyne CC(=O)OC[C@@]12CCC(C)(C)C[C@H]1[C@H]1[C@H](OC(C)=O)C[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000029548819 KK Annotated Anodyne CC(=O)OC[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@H](OC(C)=O)C[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000029548823 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3C1 ZINC000029550989 KK Annotated Reactive COc1ccc(OCCCN(CCOc2ccc3c(c2)OCO3)C(C)C)c([C@@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551066 KK Annotated Anodyne COc1ccc(OCCCN(CCOc2ccc3c(c2)OCO3)C(C)C)c([C@H]2Sc3ccccc3N(C)C2=O)c1 ZINC000029551070 KK Annotated Anodyne C1=C[C@@H](CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNC[C@@H]2C=CC=N2)N=C1 ZINC000029551222 KK Annotated Reactive C1=C[C@@H](CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNC[C@H]2C=CC=N2)N=C1 ZINC000029551226 KK Annotated Reactive C1=C[C@H](CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNC[C@H]2C=CC=N2)N=C1 ZINC000029551231 KK Annotated Reactive COC(=O)[C@@]12CCC(C)(C)C[C@@H]1[C@]13O[C@H]1C[C@@H]1[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]3(C)CC2 ZINC000029551447 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@]13O[C@H]1C[C@@H]1[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]3(C)CC2 ZINC000029551449 KK Annotated Anodyne COC(=O)[C@@]12CCC(C)(C)C[C@H]1[C@]13O[C@H]1C[C@@H]1[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]3(C)CC2 ZINC000029551450 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@]13O[C@H]1C[C@@H]1[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]3(C)CC2 ZINC000029551454 KK Annotated Anodyne CN(C(=O)[C@@H]1CCc2c(Br)sc3cccc1c23)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029553892 KK Annotated Anodyne CN(C(=O)[C@H]1CCc2c(Br)sc3cccc1c23)[C@H]1CC[C@]2(CCCO2)C[C@@H]1N1CCCC1 ZINC000029553895 KK Annotated Anodyne C=CC[C@@H](CC/C(C)=C/C=C/CC/C=C\[C@@H]1CSC([C@@H]2C[C@@H]2C)=N1)OCC(F)(F)C(F)(F)C(F)(F)F ZINC000029555569 KK Annotated Mild COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2OC)cc1O ZINC000029557843 KK Annotated Anodyne CN(C)C(=O)C(CCN1CCC(Nc2nc3cccnc3n2Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1 ZINC000029560350 KK Annotated Anodyne COc1ccc(OCCCN(C)CCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3N(CCCCN=[N+]=[N-])C2=O)c1 ZINC000029560698 KK Annotated Clean CC(C)OC(=O)c1cc([C@@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029560751 KK Annotated Anodyne CC(C)OC(=O)c1cc([C@H](O)c2ccc(Cl)cc2Cl)cn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000029560754 KK Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCCCNc2ccn([C@@H]3CC[C@@H](CO)O3)c(=O)n2)c(=O)[nH]c1=O ZINC000029561301 KK Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCCCNc2ccn([C@H]3CC[C@@H](CO)O3)c(=O)n2)c(=O)[nH]c1=O ZINC000029561305 KK Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCCCNc2ccn([C@@H]3CC[C@H](CO)O3)c(=O)n2)c(=O)[nH]c1=O ZINC000029561310 KK Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCCCNc2ccn([C@H]3CC[C@H](CO)O3)c(=O)n2)c(=O)[nH]c1=O ZINC000029561315 KK Annotated Anodyne NC(=O)[C@@H](Cc1ccc(O)cc1)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029562971 KK Annotated Anodyne NC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccc(Br)cc1)Cc1cc(-c2ccccc2Cl)on1 ZINC000029562975 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@H]34)[C@H]2N1CCCc1ccccc1 ZINC000029563342 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4N4C(=O)c5ccccc5N[C@@H]34)[C@H]2N1CCCc1ccccc1 ZINC000029563345 KK Annotated Anodyne CCN(CC)CCCCCCNc1cc(OC)c(Oc2cccc(C(F)(F)F)c2)c2c(C)ccnc12 ZINC000029563747 KK Annotated Anodyne CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1 ZINC000029563877 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@H](CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000029564059 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@@H](CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000029564063 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@H](CN1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000029564067 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@@H](CN1CCC[C@H]1COc1ccc(C[C@@H]3SC(=O)N(C(=O)C[C@@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000029564072 KK Annotated Anodyne COc1cc(NCCCCCCN2CCN(S(=O)(=O)c3ccccc3)c3ccccc32)c2nccc(C)c2c1 ZINC000029566026 KK Annotated Anodyne CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(NC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000029566919 KK Annotated Clean CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccc(NC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)cc1)CCc1cc(O)c(O)c(O)c1-2 ZINC000029566923 KK Annotated Clean CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1 ZINC000029567067 KK Annotated Anodyne COc1ccc(CCN2[C@H]3CC[C@@H]2[C@H](N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000029567653 KK Annotated Bother C[C@@H](NC(=O)C[C@H](CC(=O)O)C(=O)O)[C@@H](Cc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)c(F)c1 ZINC000029568433 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N2c3ccccc3[C@@](O)(C[C@@H]3NC(=O)c4ccccc4-n4c3nc3ccccc3c4=O)[C@H]2N1C(=O)OCc1ccccc1 ZINC000029569632 KK Annotated Anodyne CCC(=O)Oc1cc2c(c(OC(=O)CC)c1OC(=O)CC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000029569923 KK Annotated Bother O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC/C=C/CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000029569998 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C/CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000029570002 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC/C=C/CCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000029570007 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C/CCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000029570012 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Br)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000029570022 KK Annotated Reactive COc1ccc2nc(NCCCNCCCNc3nc4ccc(OC)cc4n4cccc34)c3cccn3c2c1 ZINC000029570353 KK Annotated Anodyne COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccc([N+](=O)[O-])cc4)C[C@@H](C/C=C/C(C)=O)O3)c(Cl)c2c1 ZINC000029570401 KK Annotated Mild CC(C)(C)c1c(SC2=C(O)O[C@@](CCc3ccccc3)(c3ccccc3)CC2=O)sc2ccccc12 ZINC000029570603 KK Annotated Mild CC(C)(C)c1c(SC2=C(O)O[C@](CCc3ccccc3)(c3ccccc3)CC2=O)sc2ccccc12 ZINC000029570620 KK Annotated Mild O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1C/C=C\CCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000029570969 KK Annotated Anodyne O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1C/C=C\CCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000029570973 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H](C(=O)OC(C)(C)C)N(C/C=C/c1cccc(Oc2ccccc2)c1)C/C=C/c1cccc(Oc2ccccc2)c1 ZINC000029571335 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1c(F)c(F)cc(F)c1F ZINC000029571716 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccc(Br)cc1 ZINC000029572028 KK Annotated Anodyne CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000029590257 KK Annotated Anodyne CO[C@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000029590259 KK Annotated Anodyne CO[C@@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000029590262 KK Annotated Anodyne CO[C@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000029590263 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@@H]12 ZINC000029747251 KK Annotated Anodyne COc1ccc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CCN2CCOCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000029752524 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000299804437 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000299804438 KK Annotated Anodyne COc1cccc2c1[C@H](O[P@@](=O)(Cc1cccc3ccccc13)O[C@H]1OC(=O)c3cccc(OC)c31)OC2=O ZINC000299804468 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2c(CNC(=O)CCCCCCCCC(=O)Nc3cccc4c([C@H](O)[C@H]5C[C@H]6CCN5C[C@@H]6CC)ccnc34)cccc12 ZINC000299804694 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2c(CNC(=O)CCCCCCCCC(=O)Nc3cccc4c([C@H](O)[C@H]5C[C@H]6CCN5C[C@H]6CC)ccnc34)cccc12 ZINC000299804695 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2c(CNC(=O)CCCCCCCCC(=O)Nc3cccc4c([C@H](O)[C@@H]5C[C@H]6CCN5C[C@@H]6CC)ccnc34)cccc12 ZINC000299804696 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2c(CNC(=O)CCCCCCCCC(=O)Nc3cccc4c([C@H](O)[C@@H]5C[C@H]6CCN5C[C@H]6CC)ccnc34)cccc12 ZINC000299804697 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299804781 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299804782 KK Annotated Anodyne C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCC ZINC000299804892 KK Annotated Mild C=C(C)[C@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)CCCCCCCCC ZINC000299804893 KK Annotated Mild C=C(C)[C@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/CCCCC ZINC000299804921 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/CCCCC ZINC000299804922 KK Annotated Mild C=C(Cl)CN1C[C@@H](C)O[C@@H](OC[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)[C@H](F)C1 ZINC000299804946 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000299804992 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000299804993 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCC(=O)C[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O ZINC000299805871 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)C[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@H]1O ZINC000299805872 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)C[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299805873 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)C[C@@H]1O[C@H](SC/C=C/c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O ZINC000299805874 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000299805964 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000299805965 KK Annotated Mild Cc1ccc([C@H]2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)[C@@H](c3ccccc3N)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000299806018 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=N\NC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806065 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=N\NC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806066 KK Annotated Reactive C#CC[C@H](/C=C/C(C)=C/[C@@H](O)[C@H]1C[C@@H](OC)C[C@@](O)(Cc2nc(/C=C(\C)[C@@H]3O[C@@H]4CC=Cc5nc(co5)[C@H]5C[C@H](O)C[C@@H](C[C@H]6CC(=C)C[C@H](CC=CC(=O)O[C@@H]([C@H]4C)[C@H]3C)O6)O5)co2)O1)OC ZINC000299806086 KK Annotated Mild COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@+](C)(CCCOC(=O)/C=C/C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000299806106 KK Annotated Bother COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[N@+](C)(CCCOC(=O)/C=C/C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000299806107 KK Annotated Bother C[C@H]1CC[C@@]2(OC1)O[C@H]1C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)C3(C[C@@H]2[C@@]1(C)C7)OCCO3 ZINC000299806125 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)[C@H](O)C[C@@H]2[C@@]1(C)C7 ZINC000299806145 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@H]2c4ccccc4N[C@@H]2C3=O)cc1 ZINC000299806173 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23CC[C@@H]2c4ccccc4N[C@H]2C3=O)cc1 ZINC000299806174 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](C[C@@H](O)[C@]5(C)[C@@H]7[C@H](C[C@H]45)O[C@@]4(CCC(C)(C)O4)[C@H]7C)[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000299806190 KK Annotated Anodyne C[C@H](CO)CC[C@H]1O[C@H]2C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]2[C@@H]1C)C[C@@H]1CC[C@H]2C3=C[C@@H]4O[C@H](CC[C@H](C)CO)[C@@H](C)[C@@H]4[C@@]3(C)C3(C[C@@H]2[C@@]1(C)C7)OCCO3 ZINC000299806210 KK Annotated Anodyne C[C@H]1[C@@]2(O)[C@H](C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@H]5C[C@]6(CCC(C)(C)O6)O[C@H]5C[C@H]34)[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000299806214 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@H](C)C(=O)O)[C@@H]4O)C3=O ZINC000299806231 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@H](C)C(=O)O)[C@H]4O)C3=O ZINC000299806232 KK Annotated Anodyne CC(C)CCC[C@]1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(CC[C@@H](C)C(=O)O)[C@H]4O)C3=O ZINC000299806233 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@@H](O)[C@@H](O)[C@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000299806282 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@H](O)[C@@H](O)[C@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000299806283 KK Annotated Anodyne Cc1ccc(CNC(=O)[C@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)cn1 ZINC000299806284 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806297 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806298 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@H]4C5=C[C@@H]7O[C@]8(CC[C@](C)(O)CO8)[C@@H](C)[C@@H]7[C@@]5(C)[C@H](O)C[C@H]4[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000299806317 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299806332 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806333 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299806334 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299806335 KK Annotated Clean CCCO[C@H]1[C@H](N(C)C)[C@@H](OCCC)[C@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)C=C(C)C=CC(=O)[C@H](C)C[C@@H]2CCN2C(=O)c3ccccc3C2=O)O[C@@H]1C ZINC000299806342 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C[C@H](C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299806354 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C[C@@H](C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299806355 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)c5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806385 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)c5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806386 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806454 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806455 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806456 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299806457 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806462 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806463 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@@H]4[C@H](C[C@@H](O)[C@]5(C)[C@@H]7[C@H](C[C@H]45)O[C@@]4(CCC(C)(C)O4)[C@H]7C)[C@@]3(C)C6)[C@@]2(C)O)O[C@]12CCC(C)(C)O2 ZINC000299806464 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCC5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806471 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCC5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806472 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5c(F)cccc5[C@H](Nc5ccccc5F)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000299806477 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(Cl)cc5[C@H](Nc5ccc(Cl)cc5)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000299806484 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806510 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806511 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806512 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299806513 KK Annotated Anodyne O=C(O)CO/N=C1\CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]53C1 ZINC000299806560 KK Annotated Mild CCCCCCCCCCCC(=O)OC[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299806644 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCCCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O ZINC000299806688 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCCCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O ZINC000299806689 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(F)cc2)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000299806723 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000299806724 KK Annotated Anodyne CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N[C@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@H]12 ZINC000299806755 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299806789 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 ZINC000299806790 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000299806834 KK Annotated Bother O=C(O)CCNC12c3c4c5c6c7c=4c4c8c9c(c%10c%11c%12c%13c=%10c1c1c3c3c5c5c%10c6c6c%14c7c8c7c8c9c%11c9c%11c%12c%12c%15c%13c1c1c3c5c3c(c1%15)c1c%12c%11c5c(c89)c(c7%14)c7c6c%10c3c1c75)C42 ZINC000299806868 KK Annotated Bother CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCc1cc(O)ccc1O ZINC000299806908 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000299806909 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000299806910 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCc1cc(O)ccc1O ZINC000299806911 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/NC=O)OC)[C@H](C)[C@H]1OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@@H](OC)C=C[C@H](C)[C@@H](O)C[C@@H](OC)C=C[C@@H]1C ZINC000299806937 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(Br)cc2)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000299807012 KK Annotated Anodyne C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1/C=C/C1=C[C@H]([C@]2(CCC3=CCOC3=O)C(=C)CC[C@@H]3[C@](C)(CO)[C@@H](O)CC[C@]32C)OC1=O ZINC000299807023 KK Annotated Mild C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1/C=C/C1=C[C@H]([C@]2(CCC3=CCOC3=O)C(=C)CC[C@H]3[C@]2(C)CC[C@H](O)[C@@]3(C)CO)OC1=O ZINC000299807024 KK Annotated Mild C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1/C=C/C1=C[C@H]([C@]2(CCC3=CCOC3=O)C(=C)CC[C@@H]3[C@](C)(CO)[C@H](O)CC[C@]32C)OC1=O ZINC000299807025 KK Annotated Mild C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1/C=C/C1=C[C@H]([C@]2(CCC3=CCOC3=O)C(=C)CC[C@H]3[C@]2(C)CC[C@@H](O)[C@@]3(C)CO)OC1=O ZINC000299807026 KK Annotated Mild Cc1ccc([C@@H]([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000299807147 KK Annotated Anodyne O=[P@@]1([C@H](c2ccccc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000299807148 KK Annotated Anodyne CC1(C)C(O)=C(C=O)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 ZINC000299807158 KK Annotated Reactive CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)C(O)=C(C=O)C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000299807159 KK Annotated Reactive CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O)=C(C=O)C[C@@]56C[C@@]46CC[C@]23C)O1 ZINC000299807160 KK Annotated Reactive CC1(C)C(O)=C(C=O)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 ZINC000299807161 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(CC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000299807171 KK Annotated Reactive COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000299807178 KK Annotated Mild COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 ZINC000299807179 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000299807187 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000299807188 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000299807189 KK Annotated Mild COC(=O)[C@]1(C)CC[C@](C)(CC[C@@]2(C)[C@@H](C)CC[C@H](C)[C@@H]2/C=C\c2ccc3c(c2C)O[C@]2(O)C(=O)C=C4C(=CC=C5[C@@]6(C)CC[C@@]7(C)CC(=O)[C@H](C)C[C@@H]7[C@]6(C)CC[C@@]45C)[C@]2(C)O3)CC1 ZINC000299807190 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N/OCc2ccc(F)cc2)C=CC(C)=C[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299807191 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N/OCc2ccc(F)cc2)C=CC(C)=C[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299807192 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N/OCc2ccc(F)cc2)C=CC(C)=C[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299807193 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)/C(=N/OCc2ccc(F)cc2)C=CC(C)=C[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299807194 KK Annotated Mild CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000299807197 KK Annotated Reactive CCC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299807231 KK Annotated Anodyne CCC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299807232 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000299807238 KK Annotated Mild C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000299807239 KK Annotated Mild C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000299807240 KK Annotated Mild Cc1ccc([C@H]2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)[C@@H](c3ccccc3NC(=O)[C@@H](N)CO)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000299807252 KK Annotated Anodyne Cc1ccc([C@H]2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)[C@@H](c3ccccc3NC(=O)[C@H](N)CO)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000299807253 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299807325 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299807326 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807327 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299807328 KK Annotated Mild CO[C@@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299807354 KK Annotated Anodyne CO[C@@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299807355 KK Annotated Anodyne CO[C@@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299807356 KK Annotated Anodyne CO[C@@H]1CCO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299807357 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H]2C[C@H]3CC[C@H]2C3)cc1F ZINC000299807388 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H]2C[C@H]3CC[C@H]2C3)cc1F ZINC000299807389 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C3C)O4 ZINC000299807390 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C3C)O4 ZINC000299807391 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C=CC=C3C)O4 ZINC000299807392 KK Annotated Anodyne COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@@H](O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C3C)O4 ZINC000299807393 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCc5ccco5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807580 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCc5ccco5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807582 KK Annotated Anodyne C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c(c6c6c%24c%21c(c86)c6c9c%11c(c%18c%16%12)c%206)[C@H]5[C@@H]5C6=C%25[C@@]%238C[N+](C)(C)C[C@]89C8=C6c6c5c4c(c-%14c6[C@H]%15[C@H]8C=%17[C@@H]9[C@H]%22%19)[C@@H]2[C@H]%13%10)[C@@]73C1 ZINC000299807583 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807584 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807585 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807586 KK Annotated Anodyne C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c(c6c6c%24c%21c(c86)c6c9c%11c(c%18c%16%12)c%206)[C@H]5[C@@H]5C6=C%25[C@@]%238C[N+](C)(C)C[C@]89C8=C6c6c5c4c(c-%14c6[C@@H]%15[C@H]8C=%17[C@@H]9[C@H]%22%19)[C@@H]2[C@H]%13%10)[C@@]73C1 ZINC000299807589 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807593 KK Annotated Anodyne C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c(c6c6c%24c%21c(c86)c6c9c%11c(c%18c%16%12)c%206)[C@H]5[C@H]5C6=C%25[C@@]%238C[N+](C)(C)C[C@]89C8=C6c6c(c-%14c(c4c65)[C@@H]2[C@H]%13%10)[C@@H]%15[C@H]8C=%17[C@@H]9[C@H]%22%19)[C@@]73C1 ZINC000299807607 KK Annotated Bother CCOC(=O)CN(c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(=O)OCC)[C@H](C)C(=O)OCC)[C@H](C)C(=O)OCC ZINC000299807615 KK Annotated Anodyne C[N+]1(C)C[C@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c%24c%25c(c6c6c%24c%21c(c86)c6c9c%11c(c%18c%16%12)c%206)[C@H]5[C@H]5C6=C%25[C@@]%238C[N+](C)(C)C[C@]89C8=C6c6c5c4c(c-%14c6[C@H]%15[C@H]8C=%17[C@@H]9[C@H]%22%19)[C@@H]2[C@H]%13%10)[C@@]73C1 ZINC000299807624 KK Annotated Bother CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6CC7=C(C(=O)C=CC7=O)[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000299807634 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6CC7=C(C(=O)C=CC7=O)[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@H]12 ZINC000299807636 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)C6=C(C[C@@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@H]12 ZINC000299807639 KK Annotated Mild C[C@@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]513 ZINC000299807648 KK Annotated Bother C[C@@H]1C=C[C@H](COC(=O)CCC(=O)O)[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@@]513 ZINC000299807660 KK Annotated Bother OC(/C=C/c1ccc(Cl)c(Cl)c1)=N/CCCCCN1CCC[C@H](CCC/N=C(/O)[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000299807672 KK Annotated Mild CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)C(=O)O1)OC)[C@H](C)C[C@@H]1CC[C@@H](O)[C@H](OC)C1 ZINC000299807674 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)[N@@+](C)(CCCOC(=O)/C(Cl)=C/C(=O)OCCC[N@+]1(C)CCc3cc(OC)c(OC)cc3[C@H]1Cc1cc(OC)c(OC)c(OC)c1)CC2 ZINC000299807678 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807728 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807732 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807741 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807745 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807749 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807752 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(CC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000299807790 KK Annotated Reactive CCCNC[C@@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299807805 KK Annotated Anodyne CCCNC[C@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299807806 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@@H]4O[C@H](COC(=O)[C@@H]5OC(C)(C)N(C(C)=O)[C@H]5c5ccccc5)[C@@H]5OC(C)(C)O[C@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000299807874 KK Annotated Anodyne COc1ccc(C(Nc2nc(O)c3ncn([C@@H]4O[C@H](COC(=O)[C@@H]5OC(C)(C)N(C(C)=O)[C@H]5c5ccccc5)[C@H]5OC(C)(C)O[C@H]54)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000299807876 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299807886 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299807888 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299807889 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299807890 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807891 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299807893 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)/C=C/c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@@H](OC)[C@H](O)[C@@H](C)O1 ZINC000299807930 KK Annotated Anodyne CCOC(=O)C1=C[C@H](C)[C@@H](O)[C@H]2OC/C(=C\C=C\[C@H](C)[C@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)/C(C)=C/C[C@@H]3C[C@H](O)C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)[C@@]12O ZINC000299807948 KK Annotated Anodyne CCOC(=O)[C@@H]1C=C(C)[C@@H](O)[C@H]2OC/C(=C\C=C\[C@H](C)[C@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)/C(C)=C/C[C@@H]3C[C@H](O)C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)[C@@]12O ZINC000299808052 KK Annotated Anodyne CCCNC[C@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299808061 KK Annotated Anodyne CCCNC[C@@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299808062 KK Annotated Anodyne Cc1ccc([C@H]2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)[C@@H](c3ccc(OCCCC(=O)N(CCCN)CCCCN)cc3)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000299808085 KK Annotated Anodyne C=C1[C@H]2C[C@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1OCc1ccccc1 ZINC000299808098 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299808130 KK Annotated Mild CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000299808137 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000299808138 KK Annotated Anodyne Fc1ccc([C@@H]2N=C(SCCSC3=N[C@H](c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N3)N[C@H]2c2ccc(F)cc2)cc1 ZINC000299808179 KK Annotated Anodyne CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)C(=O)[C@@]1(C)CC ZINC000299808206 KK Annotated Bother CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)C(=O)[C@]1(C)CC ZINC000299808208 KK Annotated Bother C=C(C)[C@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC ZINC000299808258 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@H]1[C@@H]1[C@@H]4O[C@@]45COC(C)(C)O[C@H]5[C@]4(O)C(=O)C=C[C@@]4(C)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/C=C/CCC ZINC000299808259 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)CC=CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)C=CC[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](OC(=O)[C@@H](C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000299808393 KK Annotated Mild CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)[C@H]1C(Cl)=CC=C[C@H]21)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000299808483 KK Annotated Anodyne CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)[C@@H]1C(Cl)=CC=C[C@H]21)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000299808488 KK Annotated Anodyne C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000299808499 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4c5c([nH]c4cc3OC)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC ZINC000299808500 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C ZINC000299808504 KK Annotated Reactive C[C@H](C[C@H](OC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)/C=C/c4ccccc4)C[C@]13O2 ZINC000299808521 KK Annotated Anodyne C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@@H]2c4c6c9c%10c(c4-%18)[C@H]%17[C@@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@]8%114)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000299808558 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@]8%114)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000299808559 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@@H]2c4c6c9c%10c(c4-%18)[C@H]%17[C@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@]8%114)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000299808560 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c(c2c2c4c4c6c9c6c4c4c2c%21c2c(c%16%20)c%15c9c%13c%10c6c9c24)[C@H]%19[C@@H]2c4c6c9c%10c(c4-%18)[C@@H]%17[C@@H]%14C%12=C%10[C@]4(C[N+](C)(C)C[C@]8%114)[C@H]9[C@@H]7C5=C6[C@]23C1 ZINC000299808561 KK Annotated Bother CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000299808571 KK Annotated Anodyne C[C@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@@H]48)[C@@]523 ZINC000299808579 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@H]48)[C@]523 ZINC000299808580 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@H]48)[C@@]523 ZINC000299808581 KK Annotated Mild C[C@]12CCC/C(=N\OCC(=O)O)[C@@H]1[C@]13c4c5c6c7c8c9c%10c6c6c-5c5c%11c%12c(c%13c%14c%15c%16c-%13c1c1c4c7c4c7c1c%16c1c-7c7c%13c%16c(c-9c9c%10c%10c6c%11c6c%11c%12c%14c%12c%14c%15c1c%13c%14c1c%16c9c(c%106)c1c%11%12)[C@@H]7[C@@H]48)[C@]523 ZINC000299808582 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](OCOCCO[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299808584 KK Annotated Anodyne CN1C[C@@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CN(C)C[C@]45[C@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@H]%16[C@@H]%10%13 ZINC000299808588 KK Annotated Bother CN1C[C@@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CN(C)C[C@]45[C@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@@H]%16[C@H]%10%13 ZINC000299808589 KK Annotated Bother CN1C[C@@]23CC4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c(c%17c%18c%19c%20c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%18)c%14c%19c%22c%15c%18c%23c5c(c68)c%18c%11c%12c%14%15)[C@]%215CN(C)C[C@]45[C@H]2[C@H]%17%20)[C@]3(C1)C(=C9C7)[C@H]%16[C@H]%10%13 ZINC000299808590 KK Annotated Bother C[C@@H]1[C@]2(O[C@H]3C=C4[C@H]5CC[C@@]6(C)Cc7nc8c(nc7C[C@]6(C)[C@@]5(C)C[C@@H](O)[C@]4(C)[C@]31O)C[C@]1(C)CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000299808596 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@@]6(C)Cc7nc8c(nc7C[C@]6(C)[C@@]5(C)C[C@@H](O)[C@]4(C)[C@]31O)C[C@]1(C)CC[C@@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000299808597 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@H]5CC[C@@]6(C)Cc7nc8c(nc7C[C@]6(C)[C@@]5(C)C[C@@H](O)[C@]4(C)[C@]31O)C[C@]1(C)CC[C@@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000299808598 KK Annotated Anodyne C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@@]6(C)Cc7nc8c(nc7C[C@]6(C)[C@@]5(C)C[C@@H](O)[C@]4(C)[C@]31O)C[C@]1(C)CC[C@H]3C4=CC[C@@H]5[C@H](C)[C@@]6(OC[C@]45C(=O)C[C@@H]3[C@@]1(C)C8)OC(C)(C)C[C@H]6O)O[C@](C)(CO)C[C@H]2O ZINC000299808599 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299808609 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299808610 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299808611 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299808612 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ncc[nH]5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299808627 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ncc[nH]5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299808628 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(O)cc5[C@H](OC)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000299808635 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(Oc3ccccc3)cc2)C[C@@H](C)C(=O)C=CC(C)=C[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299808642 KK Annotated Mild CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(OC(=O)CCC(=O)O[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C=C(OC(=O)c7ccccc7)C=C[C@@H]6[C@H]5CC[C@]34C)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@H]12 ZINC000299808646 KK Annotated Mild CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(OC(=O)CCC(=O)O[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C=C(OC(=O)c7ccccc7)C=C[C@@H]6[C@H]5CC[C@]34C)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@@H]3C[C@@H]12 ZINC000299808647 KK Annotated Mild CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(OC(=O)CCC(=O)O[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C=C(OC(=O)c7ccccc7)C=C[C@@H]6[C@H]5CC[C@]34C)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@H]12 ZINC000299808671 KK Annotated Mild CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(OC(=O)CCC(=O)O[C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C=C(OC(=O)c7ccccc7)C=C[C@@H]6[C@H]5CC[C@]34C)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12 ZINC000299808672 KK Annotated Mild C=CCCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000299808735 KK Annotated Mild CC(C)[C@H](O)CC[C@H](C)[C@@H](O)CC[C@@H](C)[C@H](CC[C@@H](O)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C)OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000299808744 KK Annotated Anodyne CC(C)[C@@H](O)CC[C@H](C)[C@@H](O)CC[C@@H](C)[C@H](CC[C@@H](O)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C)OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000299808747 KK Annotated Anodyne CC(C)[C@H](O)CC[C@H](C)[C@H](O)CC[C@H](C)[C@H](O)CC[C@H](OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1)[C@H](C)CC[C@H](O)[C@H](C)CC[C@@H](O)C(C)C ZINC000299808749 KK Annotated Anodyne CC(C)[C@@H](O)CC[C@@H](C)[C@@H](O)CC[C@@H](C)[C@H](CC[C@@H](O)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C)OCCCCCCn1cc(CCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000299808751 KK Annotated Anodyne CCO[C@@H]1[C@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@]1(O)Cc1ccc(O)cc1 ZINC000299808779 KK Annotated Anodyne CCO[C@@H]1[C@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@]1(O)Cc1ccc(O)cc1 ZINC000299808780 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]23)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC(C)=O ZINC000299808807 KK Annotated Reactive CC[C@H](C)C1=C(O)[N@@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000299808810 KK Annotated Mild CCCCCCCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000299808849 KK Annotated Mild CO[C@H]1C[C@@H](OC)C=C[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/NC=O)OC)OC(=O)C=CC=C(C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@@H](OC)C=C[C@@H]1C ZINC000299808887 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299808928 KK Annotated Anodyne O=[N+]([O-])c1cccc([C@@H]([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)c1 ZINC000299809071 KK Annotated Bother C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@@H]2C(=O)OC ZINC000299809073 KK Annotated Mild C=C[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@H]1[C@H]2C(=O)OC ZINC000299809074 KK Annotated Mild C=C(c1ccc(OC[C@@H](O)COc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000299809090 KK Annotated Reactive C=C1C=C2[C@@](C)(CC[C@@H]3[C@@]4(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]23C)[C@@H]1[C@H]1COC(C)(C)C(=O)C(=O)C1 ZINC000299809097 KK Annotated Mild C=C1C=C2[C@@](C)(CC[C@@H]3[C@@]4(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]23C)[C@@H]1[C@@H]1COC(C)(C)C(=O)C(=O)C1 ZINC000299809098 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000299809185 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000299809186 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](OCCOC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299809233 KK Annotated Mild O=C1c2cccc(N3CCC[C@H](C(=O)N4CCCC[C@H]4c4cccnc4)C3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000299809326 KK Annotated Anodyne O=[P@@]1([C@H](/C=C/c2ccccc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000299809336 KK Annotated Anodyne CCCCCCCCCCN1C(=O)[C@@H]2[C@H](CCCCNC(C)=O)N[C@@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]2C1=O ZINC000299809418 KK Annotated Mild CCCCCCCCCCN1C(=O)[C@@H]2[C@H](CCCCNC(C)=O)N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]2C1=O ZINC000299809419 KK Annotated Mild C[C@@H]1C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H]1O2 ZINC000299809490 KK Annotated Anodyne 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COc1cccc(CN2C[C@H](OC)[C@@H](C)O[C@@H](OC[C@@]34C[C@@H]5[C@H](C)CC[C@H]5[C@@]5(C=O)C[C@H]3C=C(C(C)C)[C@@]45C(=O)O)C2)c1 ZINC000299810135 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810145 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810146 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299810147 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299810148 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299810149 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299810150 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299810194 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299810195 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299810196 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299810197 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000299810236 KK 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]4[C@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000299810261 KK 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]4[C@@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000299810262 KK 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]4[C@H]2CCN4Cc2ccccc2)[C@]13C(=O)O ZINC000299810263 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](NC(=O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299810333 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](NC(=O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299810334 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@@H](NC(=O)[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299810335 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810336 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810337 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810338 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810339 KK Annotated Reactive C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000299810346 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@]3(C(=O)C[C@H]4[C@H]3CC[C@H]3Cc5nc6c(nc5C[C@@]34C)C[C@@H]3CC[C@H]4C5=C[C@@H]7O[C@]8(C[C@](C)(CO)CO8)[C@@H](C)[C@@H]7[C@@]5(C)[C@H](O)C[C@H]4[C@@]3(C)C6)[C@@]2(C)O)O[C@@]12CCC(C)(C)O2 ZINC000299810347 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@@H]1C ZINC000299810352 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@@H]1C ZINC000299810353 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810371 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810372 KK Annotated Anodyne COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299810373 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299810374 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299810375 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299810376 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810413 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810414 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299810424 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299810425 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299810426 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299810427 KK Annotated Anodyne O=[P@@]1([C@H](c2ccc(Cl)cc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000299810428 KK Annotated Anodyne COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000299810464 KK Annotated Reactive COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000299810465 KK Annotated Reactive COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000299810466 KK Annotated Reactive COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000299810467 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299810481 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299810482 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299810483 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299810484 KK Annotated Reactive CCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@@H](C/C=C/c4ccc5ccccc5c4)CCCN(C)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O ZINC000299810491 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@@H]3C(C)(C)O[C@]4(CC=C(C)C(=O)C4)[C@@]13O2 ZINC000299810501 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@@H]3C(C)(C)O[C@]4(CC=C(C)C(=O)C4)[C@]13O2 ZINC000299810502 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@@H]1C=CC[C@@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@@]13O2 ZINC000299810503 KK Annotated Mild CN(CCN(C)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000299810633 KK Annotated Mild CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=NNc1cccc(-c2cccc(N=C(O)OC(C)(C)C)c2)c1O ZINC000299810918 KK Annotated Mild CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)c1OCCCCCCC ZINC000299811033 KK Annotated Reactive CC(C)=CCC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)CC1 ZINC000299811053 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@@]23O[C@@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@@H]5[C@H]6C[C@@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)CC1 ZINC000299811054 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@@]23O[C@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@@H]([C@H]25)[C@@H]4[C@@H]63)CC1 ZINC000299811055 KK Annotated Anodyne CC(C)=CCC/C(C)=C\CN1CCN(CC[C@]23O[C@@]4(CCN5CCN(C/C=C(\C)CCC=C(C)C)CC5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)CC1 ZINC000299811056 KK Annotated Anodyne CCCCCCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000299811103 KK Annotated Mild CCCCN(CCCC)c1ccc(CNC[C@@H]2CC[C@@H](N(C)C(=O)c3cccc4ccccc34)CC2)cc1 ZINC000299811143 KK Annotated Clean O=C(CC(=NNc1nc(NN=C(CC(=O)C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1)C(F)(F)F)C(F)(F)F ZINC000299811164 KK Annotated Mild CCCOc1ccccc1C[N@@+](C)(CC)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1OCCC ZINC000299811180 KK Annotated Bother CCCOc1ccccc1C[N@@+](C)(CC)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@+](C)(CC)Cc1ccccc1OCCC ZINC000299811181 KK Annotated Bother CCCOc1ccccc1C[N@+](C)(CC)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N@@+](C)(CC)Cc1ccccc1OCCC ZINC000299811182 KK Annotated Bother c1ccc(N=c2sc(-c3ccccc3)cn2CCCCCCn2cc(-c3ccccc3)sc2=Nc2ccccc2)cc1 ZINC000299811189 KK Annotated Anodyne COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000299811199 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000299811200 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccc(OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc2)ccc1OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000299811201 KK Annotated Mild CO[C@H]1CC[C@H](O[C@H]2[C@H](C)[C@@](O)([C@@H](C)C(=O)O)O[C@@H](C[C@@H]3C[C@@H](OC)[C@@H](C)[C@]4(O3)O[C@](C)([C@H]3CC[C@@H]([C@H]5CC[C@H]([C@H]6O[C@](C)(O)[C@H](C)[C@@H](OC)[C@@H]6C)O5)O3)[C@H](OC)[C@H]4C)[C@]2(C)OC)O[C@@H]1C ZINC000299811223 KK Annotated Anodyne CC[C@@H]1[C@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@H]1C ZINC000299811236 KK Annotated Anodyne COC(=O)CC/C=C(\C)[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C(C)=C/[C@@H](O)[C@@H](C)[C@@H]1C[C@H](O)CCC[C@H](OC)CC=CC=CC[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1 ZINC000299811244 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@@H](C)Sc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000299811285 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Sc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000299811286 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)[C@H](C)Sc2ccc3ccccc3c2)[C@@H]1c1ccccc1 ZINC000299811287 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@H](O)[C@@]21C ZINC000299811323 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@H]1[C@@]2(C)[C@@H](O)C[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000299811324 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000299811325 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H]([C@@H]2OC2(C)C)C[C@@H]1[C@H]1CC=C2[C@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3C[C@@H](O)[C@@]21C ZINC000299811326 KK Annotated Anodyne CC[C@H](C)CCN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000299811327 KK Annotated Anodyne CC[C@@H](C)CCN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000299811328 KK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(C)cc2)N[C@H]3c2ccc(C)cc2)cc1 ZINC000299811358 KK Annotated Mild Cc1ccc([C@H]2C[C@@H](c3ccc(C)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000299811359 KK Annotated Mild NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCC[C@H]1C[C@H]2CC[C@H]1C2 ZINC000299811361 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCC[C@@H]1C[C@H]2CC[C@H]1C2 ZINC000299811362 KK Annotated Anodyne CCCCCCCCCC(=O)OC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)C(=O)c2ccccc21 ZINC000299811404 KK Annotated Mild CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@H]5CC(C)(C)C6)cc4C(=O)[C@H]3C=C2)C1 ZINC000299811411 KK Annotated Clean CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@H]5CC(C)(C)C6)cc4C(=O)[C@H]3C=C2)C1 ZINC000299811412 KK Annotated Clean CC1(C)C[C@H]2C[C@@](C)(CN2CCC(=O)NC2=C[C@H]3C(=O)c4ccc(NC(=O)CCN5C[C@@]6(C)C[C@H]5CC(C)(C)C6)cc4C(=O)[C@@H]3C=C2)C1 ZINC000299811413 KK Annotated Clean CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@H](O)COc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000299811464 KK Annotated Anodyne CCOC(=O)C1=C(O)C[C@H](c2ccccc2)N([C@@H](O)COc2ccc3ccccc3c2)[C@H]1c1ccccc1 ZINC000299811465 KK Annotated Anodyne O=C1CCCC[C@@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000299811482 KK Annotated Anodyne CC[C@@H](C)CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000299811552 KK Annotated Anodyne CC[C@H](C)CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000299811553 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@@]21CN(c2ccccc2)CCC1=O ZINC000299811597 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000299811598 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000299811599 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000299811600 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 ZINC000299811601 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C1=N ZINC000299811655 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C1=N ZINC000299811656 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC[C@H]2C[C@H]3CC[C@H]2C3)C1=N ZINC000299811657 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC[C@@H]2C[C@H]3CC[C@H]2C3)C1=N ZINC000299811658 KK Annotated Anodyne COCCOCCOCC[N@+]1(C)C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@@H]68 ZINC000299811688 KK Annotated Bother COCCOCCOCC[N@+]1(C)C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@H]5%17)[C@H]68 ZINC000299811689 KK Annotated Bother COCCOCCOCC[N@+]1(C)C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@H]68 ZINC000299811690 KK Annotated Bother COCCOCCOCC[N@+]1(C)C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@H]5%17)[C@@H]68 ZINC000299811691 KK Annotated Bother C=C(C)[C@@H]1CC[C@]2(COC(=O)CC(C)(C)CC(=O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3N=[N+]=[N-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299811754 KK Annotated Mild COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000299811759 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000299811760 KK Annotated Anodyne COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@]73C[N+]1(C)C ZINC000299811764 KK Annotated Bother COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@@H]%138)[C@@]73C[N+]1(C)C ZINC000299811765 KK Annotated Bother COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@H]%138)[C@@]73C[N+]1(C)C ZINC000299811766 KK Annotated Bother COCCOCCOC[C@@H]1[C@]23C4=C5C6=C7[C@@H]8c9c(c%10c%11c%12c9-c9c%13c%14c%15c(c6c6c%16c%15c%15c%17c-%16c%16c%18c%19c(c4c4c%20c%19c%19c%21c-%20c(c%11c%11c%21c%20c%21c%19c%18c%17c%21c%17c%15c%14c%14c9c%12c%11c%20c%14%17)[C@@H]%10[C@@H]42)[C@@H]%16[C@H]56)[C@H]%138)[C@]73C[N+]1(C)C ZINC000299811767 KK Annotated Bother CO[C@H]1C[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H]([C@H](C)OC(C)=O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 ZINC000299811783 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CC(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811784 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)CC(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811785 KK Annotated Clean COc1cc2c3cc1Oc1c(O)c(OC)cc4ccnc(c14)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@+](C)([O-])CC2 ZINC000299811791 KK Annotated Bother Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)CCCC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811792 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CCCC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811793 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CC(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811795 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811805 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CC(C)(C)C(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811817 KK Annotated Clean C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O[C@@H]6O[C@@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]([C@H]6C)[C@]97OO8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299811827 KK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCC(=O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3N=[N+]=[N-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299811838 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(COC(=O)C(C)(C)CC(=O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3N=[N+]=[N-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299811842 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(COC(=O)CC(C)(C)CC(=O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3N=[N+]=[N-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299811843 KK Annotated Mild Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CC(C)(C)C(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299811850 KK Annotated Clean CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NN(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299811852 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NN(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299811853 KK Annotated Anodyne COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299811869 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299811870 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299811871 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299811872 KK Annotated Reactive CCCCC[C@H](C)CCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCCCCC[C@@H](C)[C@H](CC)CCCC ZINC000299811877 KK Annotated Anodyne CCCCC[C@H](C)CCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCCCCC[C@@H](C)[C@@H](CC)CCCC ZINC000299811878 KK Annotated Anodyne CCCCC[C@H](C)CCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@H](CC)CCCCCCCC[C@H](C)[C@@H](CC)CCCC ZINC000299811879 KK Annotated Anodyne O=C(O)CCC(=O)O[C@@H]1CC[C@]23c4c5c6c7c8c-5c5c9c%10c%11c%12c%13c9c(c9c%14c%13c%13c-%12c%12c%15c%16c%17c%18c%19c(c7c-%18c(c%108)[C@@H]%11[C@H]%12%17)c7c6c6c4c4c2c-9c2c%14c8c%13c%15c9c%10c%16c%19c%11c7c6c6c4c2c(c89)c6c%10%11)[C@]53C1 ZINC000299811881 KK Annotated Bother C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@@H]2[C@](C)(C(=O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000299811910 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@H]2[C@](C)(C(=O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000299811911 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@H]2[C@](C)(C(=O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000299811912 KK Annotated Anodyne C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@@]3(C)[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)C(=O)[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C)C[C@]1(C)CC[C@@H]2[C@](C)(C(=O)[C@@H](O)[C@]3(C)[C@@H]4[C@H](C[C@@]23C)O[C@]2(CC[C@H](C)CO2)[C@H]4C)[C@@]1(C)C7 ZINC000299811913 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(F)(F)F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299811925 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(F)(F)F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299811926 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@@H]4Cn6cccc6[C@H]4N5)ccc3N[C@H]3c4cccn4C[C@@H]23)cc1 ZINC000299811944 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299811965 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299811966 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299811967 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C4CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299811968 KK Annotated Anodyne CCCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000299811970 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299811988 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299811989 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299811990 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299811991 KK Annotated Mild CCN1CCN(CCN2CC[C@]3(N4CCCCC4)C[C@@H](c4ccccc4)[C@@H]2[C@@H](c2ccccc2)C3)CC1 ZINC000299811996 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299811998 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299811999 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299812000 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@H](C)C/C(C)=C\[C@@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299812001 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(COC(=O)CC(C)(C)C(=O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3N=[N+]=[N-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299812021 KK Annotated Mild Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)CC(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299812024 KK Annotated Clean Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)CC(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CC(C)(C)CC(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299812025 KK Annotated Clean CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000299812036 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000299812037 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812049 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812106 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812107 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812108 KK Annotated Mild CO[C@@H]1CC(=O)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@]%2112)[C@@H]%18[C@@H]3[C@]1(C4)[C@H](OC)CC(=O)C[C@@]%171C(=C9C7)[C@@H]%16[C@H]%10%13 ZINC000299812123 KK Annotated Bother CO[C@@H]1CC(=O)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@]%2112)[C@@H]%18[C@@H]3[C@]1(C4)[C@H](OC)CC(=O)C[C@@]%171C(=C9C7)[C@@H]%16[C@@H]%10%13 ZINC000299812124 KK Annotated Bother CO[C@@H]1CC(=O)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@]%2112)[C@@H]%18[C@@H]3[C@]1(C4)[C@H](OC)CC(=O)C[C@@]%171C(=C9C7)[C@H]%16[C@H]%10%13 ZINC000299812125 KK Annotated Bother CO[C@@H]1CC(=O)C[C@]23C4=c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c%21c%22c%23c(c5c5c6c6c8c%11c8c%11c%12c%12c%14c(c%15%19)c%14c%20c%22c%15c%19c%23c5c(c68)c%19c%11c%12c%14%15)[C@]%2112)[C@@H]%18[C@@H]3[C@]1(C4)[C@H](OC)CC(=O)C[C@@]%171C(=C9C7)[C@H]%16[C@@H]%10%13 ZINC000299812126 KK Annotated Bother CCCCCCCCN[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299812148 KK Annotated Mild CCCCCCCCN[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3C(C)=CC[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OCC(=CC=C[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299812149 KK Annotated Mild C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000299812150 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299812151 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@@]12CCC(C)(C)O2 ZINC000299812152 KK Annotated Anodyne C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@]5(C)[C@@H]4C[C@@H](O)[C@]23C)C[C@@H]2CC[C@@H]3C4=C[C@@H]5O[C@]6(CC[C@](C)(O)CO6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299812153 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)O)C1=C2C[C@H](OC(=O)Cc3ccc([N+](=O)[O-])cc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000299812174 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](/N=C/N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812178 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](/N=C/N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812179 KK Annotated Mild C=C1C[C@H]2[C@@H](CC[C@H]3Cc4nc5c(nc4C[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]6O[C@H](CC[C@H](C)CO)[C@@H](C)[C@@H]6[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C5)C2=C[C@@H]3O[C@H](CC[C@H](C)CO)[C@@H](C)[C@@H]3[C@@]12C ZINC000299812205 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSCC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812286 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSCC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812287 KK Annotated Anodyne C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000299812295 KK Annotated Reactive C=C(c1ccc(OC[C@@H](O)COc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000299812302 KK Annotated Reactive C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)C[C@@H]2C[C@H](O)[C@H]3C4=C[C@@H]5O[C@]6(CC[C@@](C)(CO)O6)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299812356 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)C(C)(C)CC(=O)OC[C@]34CC[C@@H](C(C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)O2)c(=O)nc1O ZINC000299812371 KK Annotated Clean CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@]23C)C[C@]2(C)CC[C@@H]3C4=C[C@@H]5O[C@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000299812375 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@]23C)C[C@]2(C)CC[C@H]3C4=C[C@@H]5O[C@@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000299812376 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@]23C)C[C@]2(C)CC[C@@H]3C4=C[C@@H]5O[C@@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000299812377 KK Annotated Anodyne CC(C)CCC1([C@@H](C)[C@@]2(O)[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@@]5(C)Cc6nc7c(nc6C[C@]5(C)[C@@]4(C)CC[C@]23C)C[C@]2(C)CC[C@H]3C4=C[C@@H]5O[C@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C7)OCCO1 ZINC000299812378 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812398 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812399 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](OC(=O)OCCO[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812401 KK Annotated Anodyne C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000299812402 KK Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)N[C@H](c2cccc3ccccc23)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000299812418 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)N[C@@H](c2cccc3ccccc23)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000299812419 KK Annotated Anodyne C[C@H]1[C@@]2(O)[C@H](C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3[C@H](CC(=O)[C@]4(C)[C@H]5C[C@]6(CCC(C)(C)O6)O[C@H]5C[C@H]34)[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000299812433 KK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@H]2C)n1 ZINC000299812460 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)[C@H]2C)n1 ZINC000299812461 KK Annotated Mild C[C@H]1[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]23CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000299812462 KK Annotated Anodyne C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]23CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000299812463 KK Annotated Anodyne C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@@]32CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000299812464 KK Annotated Anodyne C[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4CC(=O)[C@]23CO[C@@]12OC(C)(C)C[C@H]2O)C[C@H]1CC[C@H]2C3=C[C@H]4O[C@]5(O[C@](C)(CO)C[C@H]5O)[C@@H](C)[C@@]4(O)[C@@]3(C)[C@H](O)C[C@H]2[C@@]1(C)C7 ZINC000299812465 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)COC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812477 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)COC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812478 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC(=O)OC[C@H]3O[C@@H](n4cc(C)c(O)nc4=O)C[C@@H]3N=[N+]=[N-])CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299812550 KK Annotated Mild CC#C[C@H](C)[C@H](OCOC)[C@@H](C[C@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000299812593 KK Annotated Mild CC#C[C@H](C)[C@H](OCOC)[C@H](C[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000299812594 KK Annotated Mild CC#C[C@H](C)[C@H](OCOC)[C@H](C[C@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000299812595 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000299812675 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000299812676 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000299812677 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000299812678 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812686 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812687 KK Annotated Anodyne CCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c(=O)c5c(C)c(cc6nc(cc1[nH]2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000299812699 KK Annotated Bother CCOC(=O)[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(=O)O[C@@H](C/C=C/c4cccc5ccccc45)CCCN(C)C[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O ZINC000299812795 KK Annotated Mild C[C@H]1[C@@]2(O)[C@H](C=C3[C@@H]4[C@@H](O)C[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@@H]3[C@H](C[C@@H](O)[C@]4(C)[C@H]5C[C@@]6(CCC(C)(C)O6)O[C@H]5C[C@H]34)[C@@]2(C)C7)O[C@]12CC[C@](C)(O)CO2 ZINC000299812802 KK Annotated Anodyne COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@H](c2ccc(OC)cc2)N[C@H]3c2ccc(OC)cc2)cc1 ZINC000299812828 KK Annotated Mild COc1ccc([C@H]2C[C@@H](c3ccc(OC)cc3)[C@H]3C(=NOCc4ccccc4)[C@H]2[C@@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000299812829 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812831 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812832 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@H](CC=C(C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299812846 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000299812899 KK Annotated Reactive CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000299812910 KK Annotated Anodyne COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@H]68 ZINC000299812945 KK Annotated Bother COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@H]5%17)[C@H]68 ZINC000299812946 KK Annotated Bother COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@H]5%17)[C@@H]68 ZINC000299812947 KK Annotated Bother COCCOCCOCCN1C[C@]23C4=C5C6=C7c8c9c%10c%11c%12c8[C@@H]8c%13c%14c%15c%16c%17c-%14c(c5c5c%17c%14c%17c%18c%19c%20c%21c-%18c(c2c2c%21c%18c(c-%10c%10c%11c%11c(c%13%12)c%15c%12c%13c%16c%14c%19c%13c%13c%20c%18c%10c%13c%11%12)[C@@H]2[C@@H]9[C@@]73C1)[C@@H]4[C@@H]5%17)[C@@H]68 ZINC000299812948 KK Annotated Bother CC[C@H](C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299812951 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1CC[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000299812988 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1CC[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@@H]2C)O1 ZINC000299812989 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1CC[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@H]2C)O1 ZINC000299812990 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1CC[C@H](C)[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@@]4(CC[C@](C)([C@@H]5CC[C@@](O)(CC)[C@H](C)O5)O4)O3)[C@@H](C)C[C@H]2C)O1 ZINC000299812991 KK Annotated Anodyne CC(=O)OC[C@H]1[C@@H](C)C2=C3[C@@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC(C)=O ZINC000299813023 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@@H]12 ZINC000299813050 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@@H]21 ZINC000299813051 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@H]12 ZINC000299813052 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@@H]12 ZINC000299813062 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@H]12 ZINC000299813063 KK Annotated Anodyne C[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@@H]21 ZINC000299813064 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccccc4Br)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccccc1Br ZINC000299813073 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccccc1Br ZINC000299813074 KK Annotated Anodyne C[C@@H]1CC[C@@H]2C(=O)N3[C@H](c4ccccc4Br)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccccc1Br ZINC000299813075 KK Annotated Anodyne C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccccc1Br ZINC000299813076 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC)[C@H]1COC ZINC000299813100 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC)[C@@H]1COC ZINC000299813101 KK Annotated Anodyne CC[C@H]1C2=C3[C@H](CC[C@H]4[C@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC)[C@H]1COC ZINC000299813102 KK Annotated Anodyne CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@@H]21 ZINC000299813191 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C[C@H](O)[C@@H]3[C@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000299813260 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C[C@H](O)[C@@H]3[C@]4(C)CC[C@H](O)[C@@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000299813261 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C[C@H](O)[C@@H]3[C@]4(C)CC[C@@H](O)[C@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000299813262 KK Annotated Anodyne O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000299813271 KK Annotated Clean C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(C#CCN(C)C)cc3)C(=O)N2[C@@H]1c1ccccc1Br ZINC000299813317 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccc(C#CCN(C)C)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@H]1c1ccccc1Br ZINC000299813319 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@H](c4ccc(C#CCN(C)C)cc4)[C@H](C)CC[C@@H]3C(=O)N2[C@@H]1c1ccccc1Br ZINC000299813321 KK Annotated Mild C[C@H]1CC[C@@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(C#CCN(C)C)cc3)C(=O)N2[C@H]1c1ccccc1Br ZINC000299813322 KK Annotated Mild CC[C@H](C)C[C@H](C)C[C@H](C)C(=O)/C=C(/O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@@H](O)C[C@@H]1CCC(C)(C)O1 ZINC000299813326 KK Annotated Mild CC[C@H](C)C[C@H](C)C[C@H](C)C(=O)/C=C(/O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CCC(C)(C)O1 ZINC000299813328 KK Annotated Mild CC[C@H](C)C[C@H](C)C[C@H](C)C(=O)/C=C(/O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@@H](O)C[C@H]1CCC(C)(C)O1 ZINC000299813330 KK Annotated Mild CC[C@H](C)C[C@H](C)C[C@H](C)C(=O)/C=C(/O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@H]1CCC(C)(C)O1 ZINC000299813333 KK Annotated Mild CC(C)(C)c1cc2c(O)c(c1)[S@](=O)c1cc(C(C)(C)C)cc(c1OCC(=O)O)[S@@](=O)c1cc(C(C)(C)C)cc(c1O)[S@](=O)c1cc(C(C)(C)C)cc(c1OCC(=O)O)[S@@]2=O ZINC000299813369 KK Annotated Anodyne CC(C)(C)c1cc2c(O)c(c1)[S@](=O)c1cc(C(C)(C)C)cc(c1OCC(=O)O)[S@](=O)c1cc(C(C)(C)C)cc(c1O)[S@](=O)c1cc(C(C)(C)C)cc(c1OCC(=O)O)[S@@]2=O ZINC000299813370 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813418 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813419 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813420 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813421 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813422 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813423 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813424 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H]([S@](C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813425 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOCC[C@@H]2C=C[C@@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000299813444 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOCC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000299813445 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOCC[C@@H]2C=C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000299813446 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NOCC[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000299813447 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000299813460 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C[C@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000299813461 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C[C@@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000299813462 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C[C@H](C)[C@@H](OCc2ccccc2)C(C)C)cc1 ZINC000299813463 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000299813473 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@H]2CON=C(C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000299813474 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000299813475 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@H]2CON=C(C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000299813476 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)Cc1ccc(N=C2C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000299813505 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)CCc1ccc(N=C2C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000299813517 KK Annotated Mild COc1ccc(CN2C(=O)C(=Nc3cccc(CC(=O)O)c3)c3cc(Br)cc(Br)c32)cc1 ZINC000299813535 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)c1ccc(N=C2C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000299813553 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)Cc1cccc(N=C2C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)c1)NC(C)=O ZINC000299813587 KK Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@H]1OC(C)=O ZINC000299813628 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@H]1OC(C)=O ZINC000299813629 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000299813630 KK Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000299813631 KK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H]1O[C@H](c3ccccc3)C=C[C@@H]1Oc1ccc(OC)cc1)C2 ZINC000299813632 KK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H]1O[C@@H](c3ccccc3)C=C[C@@H]1Oc1ccc(OC)cc1)C2 ZINC000299813633 KK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H]1O[C@@H](c3ccccc3)C=C[C@H]1Oc1ccc(OC)cc1)C2 ZINC000299813634 KK Annotated Mild CCc1cc2c(nc1CC)CCN(CCC(C)=NOC[C@@H]1O[C@H](c3ccccc3)C=C[C@H]1Oc1ccc(OC)cc1)C2 ZINC000299813635 KK Annotated Mild C#Cc1ccccc1C[C@]1(C(=O)OC)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000299813636 KK Annotated Mild C#Cc1ccccc1C[C@]1(C(=O)OC)C=C[C@@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000299813637 KK Annotated Mild C=CCCCCCCCCC(=O)OC[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(OC)cc3)[C@H]2OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299813643 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000299813651 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000299813652 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000299813653 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000299813654 KK Annotated Mild C[C@H]1C=CCC(=O)N[C@@H](c2ccc3ccccc3c2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000299813669 KK Annotated Anodyne C[C@@H]1C=CCC(=O)N[C@@H](c2ccc3ccccc3c2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000299813670 KK Annotated Anodyne C[C@H]1C=CCC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000299813671 KK Annotated Anodyne C[C@@H]1C=CCC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)C=CCC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000299813672 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000299813682 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C2c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000299813692 KK Annotated Mild CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NOC[C@H](O)COCc1ccco1 ZINC000299813726 KK Annotated Mild CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NOC[C@@H](O)COCc1ccco1 ZINC000299813727 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@@H]2O)c1 ZINC000299813734 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@H]2O)c1 ZINC000299813735 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@@H]2O)c1 ZINC000299813736 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=NO[C@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@H]2O)c1 ZINC000299813737 KK Annotated Mild COC(=O)[C@]1(C/C=C\c2ccccc2)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000299813750 KK Annotated Anodyne COC(=O)[C@]1(C/C=C/c2ccccc2)C=C[C@H](C)[C@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000299813751 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)cc1 ZINC000299813803 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C2c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@H]2O)cc1 ZINC000299813804 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2CON=C2c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000299813805 KK Annotated Mild Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@@H](C(=O)O)[C@@H]23)cc1F ZINC000299813812 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@H](C(=O)O)[C@@H]23)cc1F ZINC000299813813 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@H]2[C@H]3[C@H]2C(=O)O)cc1F ZINC000299813814 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@H]3C[C@H]2[C@@H]2[C@@H](C(=O)O)[C@H]23)cc1F ZINC000299813815 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000299813823 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000299813824 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000299813825 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCON=C(C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@H]1Oc1ccc(OC)cc1 ZINC000299813826 KK Annotated Mild CCC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccccc3c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H](C)C2 ZINC000299813911 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccccc3c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H](C)C2 ZINC000299813912 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000299813922 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000299813923 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000299813924 KK Annotated Mild COc1ccc(O[C@@H]2C=C[C@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@H](C)c2cn([C@@H](CO)Cc3ccccc3)nn2)cc1 ZINC000299813925 KK Annotated Mild CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299813969 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([N+]5(C)CCCCC5)[C@@H](OC(C)=O)[C@]4(C)CC[C@H]3[C@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000299814025 KK Annotated Bother CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([N+]5(C)CCCCC5)[C@@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000299814026 KK Annotated Bother CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([N+]5(C)CCCCC5)[C@@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000299814027 KK Annotated Bother CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([N+]5(C)CCCCC5)[C@@H](OC(C)=O)[C@]4(C)CC[C@H]3[C@@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000299814028 KK Annotated Bother CC[C@@H](C(=O)C(=O)[C@@H](CC)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000299814050 KK Annotated Clean C[C@]1(CNCc2ccccc2)C[C@H](CCc2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1Cc1ccc(O)cc1 ZINC000299814051 KK Annotated Bother COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(Br)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@@H]3C2=O)cc1 ZINC000299814059 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(Br)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@H]3C2=O)cc1 ZINC000299814060 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(Br)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@@H]4[C@@H]3C2=O)cc1 ZINC000299814061 KK Annotated Anodyne CN1[C@@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000299814078 KK Annotated Anodyne CN1[C@@]2(c3ccccc3)c3c(-c4ccccc4)sc(-c4ccccc4)c3[C@@]1(c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000299814079 KK Annotated Anodyne O=[P@@]1([C@H](c2ccncc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000299814113 KK Annotated Anodyne C/C=C/[C@@H]([P@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1)[P@@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000299814176 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC1=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc2C1=O ZINC000299814179 KK Annotated Mild NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000299814229 KK Annotated Bother NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000299814230 KK Annotated Bother NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2[C@@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000299814231 KK Annotated Bother NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2[C@H]1c1c2ccccc2c(Cl)c2ccccc12 ZINC000299814232 KK Annotated Bother CCN(CC)c1ccc([C@@H]([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000299814253 KK Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000299814277 KK Annotated Bother CC[C@@H]1C=CC=CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@@H](C)O)O1)[C@@H]2C ZINC000299814302 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299814310 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(Oc4c(F)c(F)c(F)c(F)c4F)nc3=O)C[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299814311 KK Annotated Mild C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I ZINC000299814339 KK Annotated Reactive C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1I ZINC000299814340 KK Annotated Reactive C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1I ZINC000299814341 KK Annotated Reactive CC1(C)[C@@H]2CC[C@]1(C)[C@H](n1c(=O)n([C@@H]3C[C@H]4CC[C@@]3(C)C4(C)C)c(=O)n([C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)c1=O)C2 ZINC000299814345 KK Annotated Anodyne O/N=C/[C@@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000299814478 KK Annotated Mild O/N=C/[C@@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000299814479 KK Annotated Mild O/N=C/[C@@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000299814480 KK Annotated Mild CCCCCCC[C@H]1c2cc3nc(cc3C)cc3[nH]c(cc4nc(cc([nH]2)[C@@]1(C)CC(=O)N(C)C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000299814494 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@]3(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)[C@@H](Oc4nc(=O)ccn43)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000299814527 KK Annotated Anodyne Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON([C@H](C(N)=O)c4ccccc4)[C@H]3c3c4ccccc4c(Cl)c4ccccc34)C2=O)c1C ZINC000299814719 KK Annotated Bother Cc1cccc(N2C(=O)[C@@H]3ON([C@H](C(N)=O)c4ccccc4)[C@H](c4c5ccccc5c(Cl)c5ccccc45)[C@H]3C2=O)c1C ZINC000299814720 KK Annotated Bother Cc1cccc(N2C(=O)[C@H]3[C@@H](c4c5ccccc5c(Cl)c5ccccc45)N([C@H](C(N)=O)c4ccccc4)O[C@H]3C2=O)c1C ZINC000299814721 KK Annotated Bother Cc1cccc(N2C(=O)[C@@H]3ON([C@H](C(N)=O)c4ccccc4)[C@@H](c4c5ccccc5c(Cl)c5ccccc45)[C@H]3C2=O)c1C ZINC000299814722 KK Annotated Bother O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000299814731 KK Annotated Anodyne O=C1CC([C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000299814732 KK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]1CC[C@@H]1[C@H]2CC=C2C[C@@H](Oc3c4ccccc4nc4ccccc34)CC[C@@H]21 ZINC000299814735 KK Annotated Bother CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Oc5c6ccccc6nc6ccccc56)CC[C@@H]4[C@H]3CC[C@H]21 ZINC000299814736 KK Annotated Bother CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Oc5c6ccccc6nc6ccccc56)CC[C@@H]4[C@@H]3CC[C@@H]21 ZINC000299814737 KK Annotated Bother CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Oc5c6ccccc6nc6ccccc56)CC[C@@H]4[C@H]3CC[C@@H]21 ZINC000299814738 KK Annotated Bother CC1(C)OC[C@H]2O[C@@H]3O[C@]4(COC(C)(C)O[C@@H]3[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]2O1)O[C@H](COC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@H]4OC(=O)/C=C/c1ccccc1 ZINC000299814784 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000299814839 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000299814840 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000299814841 KK Annotated Anodyne COc1ccc2[nH]cc([C@@H]3[C@H]4CC[C@@H](C4)[C@H]3NCc3cccc(CN[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4c4c[nH]c5ccc(OC)cc45)c3)c2c1 ZINC000299814861 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCCCc1ccc(N=[N+]=[N-])cc1)C(=O)O ZINC000299814974 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCCCc1ccc(N=[N+]=[N-])cc1)C(=O)O ZINC000299814978 KK Annotated Mild Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4C[C@H]5C6CC7C[C@@H]5C3[C@H](C7)[C@H]6C4)cc2)cc1 ZINC000299814980 KK Annotated Clean COC(=O)C1=C(C(=O)OC)[C@@]2(/N=C(\Nc3ccccc3)c3ccccc3)N(c3ccc(OC)cc3)C[C@H](c3ccccc3)N2O1 ZINC000299814985 KK Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@]2(COCOC)[C@H](C=C(C)C[C@H]2OC(=O)Nc2cccc(Cl)c2)C1 ZINC000299815001 KK Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@]2(COCOC)[C@@H](C=C(C)C[C@H]2OC(=O)Nc2cccc(Cl)c2)C1 ZINC000299815004 KK Annotated Mild C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@]2(COCOC)[C@H](C=C(C)C[C@@H]2OC(=O)Nc2cccc(Cl)c2)C1 ZINC000299815006 KK Annotated Mild CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000299815017 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000299815020 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2c3cc(OC)c(OC)cc3C(=O)[C@H]2[C@H]1c1ccccc1 ZINC000299815186 KK Annotated Anodyne Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000299815190 KK Annotated Anodyne Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000299815191 KK Annotated Anodyne Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000299815192 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]2OC(C)(C)OC[C@H]2O[C@@H]2O[C@]3(COC(C)(C)O[C@H]12)O[C@H](COC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@H]3OC(=O)/C=C/c1ccccc1 ZINC000299815226 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]1[C@@H]2O ZINC000299815242 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@H]1[C@@H]2O ZINC000299815243 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]1[C@H]2O ZINC000299815244 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@H]4CC[C@]32C)[C@H]1[C@H](CCC=C(C)C)C(=O)O ZINC000299815429 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@]32C)[C@@H]1[C@H](CCC=C(C)C)C(=O)O ZINC000299815431 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@H]4CC[C@]32C)[C@@H]1[C@H](CCC=C(C)C)C(=O)O ZINC000299815433 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@]32C)[C@H]1[C@H](CCC=C(C)C)C(=O)O ZINC000299815435 KK Annotated Anodyne CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]cc(Br)c6Br)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCCC=C[C@@]3(C)C=C1C(=O)O ZINC000299815464 KK Annotated Mild CN(C)c1cccc2c1C(=O)C=C[C@@]21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)[C@@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000299815504 KK Annotated Mild COc1cc(Br)c(C[C@]2(C#N)c3ccccc3[C@H]3[C@@H](N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC ZINC000299815510 KK Annotated Mild O=C1[C@H]2[C@@H]3C=C4c5ccccc5N(c5ccccc5)[C@]4([C@@H]2C(=O)N1c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000299815525 KK Annotated Anodyne O=C1[C@@H]2C3C=C4c5ccccc5N(c5ccccc5)C4([C@@H]2C(=O)N1c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000299815529 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@@H]1C=C3c4ccccc4N(c4ccccc4)[C@]32[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000299815533 KK Annotated Anodyne O=C1[C@H]2[C@@H]3C=C4c5ccccc5N(c5ccccc5)[C@]4([C@H]2C(=O)N1c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000299815539 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2C[C@H]3CC[C@@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000299815547 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2C[C@H]3CC[C@@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000299815548 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CC[C@@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000299815549 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CC[C@@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000299815550 KK Annotated Anodyne C=C[C@H]1C=C[C@@H]2[C@H]3[C@H]1C(=O)[C@H]1C(=O)N[C@@](O)(Cc4ccc(cc4)O[C@H]3[C@@H]3CC[C@@H](C)C[C@@H]23)[C@H]1N1C(=O)[C@H]2Cc3ccc(cc3)O[C@@H]3[C@@H]4[C@@H](C(=O)[C@@H]2C1=O)[C@@H](C=C)C=C[C@H]4[C@@H]1C[C@H](C)CC[C@@H]31 ZINC000299815569 KK Annotated Mild COC(=O)C[C@H](c1ccccc1)[C@](C#N)(O[P@]1(=O)O[C@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000299815570 KK Annotated Mild COC(=O)C[C@H](c1ccccc1)[C@](C#N)(O[P@]1(=O)O[C@@H](c2ccccc2)[C@H](C)N1C)c1ccccc1 ZINC000299815572 KK Annotated Mild COC(=O)C[C@H](c1ccccc1)[C@](C#N)(O[P@]1(=O)O[C@H](c2ccccc2)[C@H](C)N1C)c1ccccc1 ZINC000299815573 KK Annotated Mild COC(=O)C[C@H](c1ccccc1)[C@](C#N)(O[P@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000299815574 KK Annotated Mild CC(C)(C)OC(=O)Cn1cc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c2ccccc21 ZINC000299815598 KK Annotated Reactive CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000299815599 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000299815600 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1 ZINC000299815601 KK Annotated Anodyne O=C1[C@H]2[C@@H]3C=C4c5ccccc5N(c5ccccc5)[C@]4([C@H]2C(=O)N1Cc1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 ZINC000299815672 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)[C@@H]1C=C3c4ccccc4N(c4ccccc4)[C@]32[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000299815673 KK Annotated Anodyne O=C1[C@@H]2C3C=C4c5ccccc5N(c5ccccc5)C4([C@@H]2C(=O)N1Cc1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 ZINC000299815674 KK Annotated Anodyne O=C1[C@H]2[C@@H]3C=C4c5ccccc5N(c5ccccc5)[C@]4([C@@H]2C(=O)N1Cc1ccccc1)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 ZINC000299815675 KK Annotated Anodyne CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]ccc6Br)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCCC=C[C@@]3(C)C=C1C(=O)O ZINC000299815713 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)c(Cl)c6Cl)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCCC=C[C@@]3(C)C=C1C(=O)O ZINC000299815790 KK Annotated Mild FC(F)(F)c1ccc(C2=NS(c3ccccc3)=NC(c3ccc(C(F)(F)F)cc3)=NS(c3ccccc3)=N2)cc1 ZINC000299815808 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000299815815 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000299815816 KK Annotated Mild C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000299815833 KK Annotated Mild C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000299815834 KK Annotated Mild Cc1ccc(OC[C@@H]2O[C@H](n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000299815859 KK Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@@H]32 ZINC000299815967 KK Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@H]32 ZINC000299815968 KK Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@@H]32 ZINC000299815969 KK Annotated Anodyne CC(=O)[C@]1(OC(=O)CCN2C(=O)c3ccccc3C2=O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)CCN5C(=O)c6ccccc6C5=O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000299815990 KK Annotated Anodyne Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000299816001 KK Annotated Mild Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000299816002 KK Annotated Mild Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000299816003 KK Annotated Mild CC1=CC(=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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000299816010 KK Annotated Mild CC1=CC(=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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000299816011 KK Annotated Mild CC1=CC(=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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000299816012 KK Annotated Mild CC1=CC(=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=C\C1=C(C)C[C@H](O)CC1(C)C ZINC000299816013 KK Annotated Mild CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2cccc(N4C(=O)[C@@H]5[C@H]6C[C@@H]7[C@]8(C)CCC[C@](C)(C(=O)O)[C@@H]8CC[C@@]7(C=C6C(C)C)[C@@H]5C4=O)c2)C(=O)[C@@H]13 ZINC000299816037 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2cccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]56C=C4C(C)C)c2)C(=O)[C@@H]13 ZINC000299816038 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2cccc(N4C(=O)[C@@H]5[C@H]6C[C@@H]7[C@]8(C)CCC[C@](C)(C(=O)O)[C@@H]8CC[C@@]7(C=C6C(C)C)[C@@H]5C4=O)c2)C(=O)[C@H]13 ZINC000299816039 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2cccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]56C=C4C(C)C)c2)C(=O)[C@H]13 ZINC000299816040 KK Annotated Anodyne Cc1ccc(-c2cnc(N[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000299816107 KK Annotated Anodyne Cc1ccc(-c2cnc(N[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000299816108 KK Annotated Anodyne Cc1ccc(-c2cnc(N[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000299816109 KK Annotated Anodyne Cc1ccc(-c2cnc(N[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000299816110 KK Annotated Anodyne COc1ccc(C)cc1N1C(=O)[C@H]2[C@@H](c3c4ccccc4c(Cl)c4ccccc34)N(Cc3ccc(CC(N)=O)cc3)O[C@H]2C1=O ZINC000299816194 KK Annotated Bother COc1ccc(C)cc1N1C(=O)[C@@H]2ON(Cc3ccc(CC(N)=O)cc3)[C@@H](c3c4ccccc4c(Cl)c4ccccc34)[C@H]2C1=O ZINC000299816195 KK Annotated Bother COc1ccc(C)cc1N1C(=O)[C@@H]2ON(Cc3ccc(CC(N)=O)cc3)[C@H](c3c4ccccc4c(Cl)c4ccccc34)[C@H]2C1=O ZINC000299816196 KK Annotated Bother CC(=O)O[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000299816216 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000299816217 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@H]3[C@@H]2C1 ZINC000299816233 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@H]3[C@H]2C1 ZINC000299816234 KK Annotated Anodyne CC(C)(C)[C@@H]1CC[C@@H]2c3c([nH]c4ccccc34)[C@@H]3C(=O)N(c4cc(Br)cc(Br)c4)C(=O)[C@@H]3[C@H]2C1 ZINC000299816235 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000299816245 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000299816246 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000299816247 KK Annotated Mild CCCCCCCCOC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OCCCCCCCC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O ZINC000299816264 KK Annotated Mild CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(N4C(=O)[C@@H]5[C@H]6C[C@@H]7[C@]8(C)CCC[C@](C)(C(=O)O)[C@@H]8CC[C@@]7(C=C6C(C)C)[C@@H]5C4=O)cc2)C(=O)[C@@H]13 ZINC000299816430 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]56C=C4C(C)C)cc2)C(=O)[C@@H]13 ZINC000299816431 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(N4C(=O)[C@@H]5[C@H]6C[C@@H]7[C@]8(C)CCC[C@](C)(C(=O)O)[C@@H]8CC[C@@]7(C=C6C(C)C)[C@@H]5C4=O)cc2)C(=O)[C@H]13 ZINC000299816432 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(N4C(=O)[C@H]5[C@H](C4=O)[C@H]4C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]56C=C4C(C)C)cc2)C(=O)[C@H]13 ZINC000299816433 KK Annotated Anodyne C[C@@H](CC(=O)OCc1ccccc1)O[C@@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000299816441 KK Annotated Anodyne C[C@@H](CC(=O)OCc1ccccc1)O[C@H]1O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000299816442 KK Annotated Anodyne CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCCCCCC)[C@@H]1O ZINC000299816469 KK Annotated Mild CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCCCCCC)[C@@H]1O ZINC000299816470 KK Annotated Mild CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@H](OC(=O)CCCCCCCCCCC)[C@H]1O ZINC000299816471 KK Annotated Mild CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](NC(=O)OCc2ccccc2)[C@@H](OC(=O)CCCCCCCCCCC)[C@H]1O ZINC000299816472 KK Annotated Mild O=C(C[C@H](c1ccccc1)[C@@H](C(=O)c1ccncc1)[C@@H](CC(=O)c1ccncc1)c1ccccc1)c1ccncc1 ZINC000299816479 KK Annotated Anodyne Cc1c2ccccc2c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2[C@@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000299816518 KK Annotated Bother Cc1c2ccccc2c([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2[C@H](C(N)=O)c2ccccc2)c2ccccc12 ZINC000299816519 KK Annotated Bother CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(Cc4ccc(N5C(=O)[C@@H]6[C@H]7C[C@@H]8[C@]9(C)CCC[C@](C)(C(=O)O)[C@@H]9CC[C@@]8(C=C7C(C)C)[C@@H]6C5=O)cc4)cc2)C(=O)[C@H]13 ZINC000299816573 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(Cc4ccc(N5C(=O)[C@@H]6[C@H]7C[C@@H]8[C@]9(C)CCC[C@](C)(C(=O)O)[C@@H]9CC[C@@]8(C=C7C(C)C)[C@@H]6C5=O)cc4)cc2)C(=O)[C@@H]13 ZINC000299816574 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(Cc4ccc(N5C(=O)[C@H]6[C@H](C5=O)[C@H]5C[C@@H]7[C@]8(C)CCC[C@](C)(C(=O)O)[C@@H]8CC[C@@]67C=C5C(C)C)cc4)cc2)C(=O)[C@@H]13 ZINC000299816575 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccc(Cc4ccc(N5C(=O)[C@H]6[C@H](C5=O)[C@H]5C[C@@H]7[C@]8(C)CCC[C@](C)(C(=O)O)[C@@H]8CC[C@@]67C=C5C(C)C)cc4)cc2)C(=O)[C@H]13 ZINC000299816576 KK Annotated Anodyne Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OC[C@H]4COC(C)(C)O4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000299816578 KK Annotated Bother CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccccc2N2C(=O)[C@H]4[C@H](C2=O)[C@H]2C[C@@H]5[C@]6(C)CCC[C@](C)(C(=O)O)[C@@H]6CC[C@@]45C=C2C(C)C)C(=O)[C@@H]13 ZINC000299816591 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccccc2N2C(=O)[C@@H]4[C@H]5C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]6(C=C5C(C)C)[C@@H]4C2=O)C(=O)[C@@H]13 ZINC000299816592 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccccc2N2C(=O)[C@@H]4[C@H]5C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]6(C=C5C(C)C)[C@@H]4C2=O)C(=O)[C@H]13 ZINC000299816593 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(c2ccccc2N2C(=O)[C@H]4[C@H](C2=O)[C@H]2C[C@@H]5[C@]6(C)CCC[C@](C)(C(=O)O)[C@@H]6CC[C@@]45C=C2C(C)C)C(=O)[C@H]13 ZINC000299816594 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@H]31 ZINC000299816622 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@H]31 ZINC000299816623 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@@H]31 ZINC000299816624 KK Annotated Anodyne Cc1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1[C@H]1C(=O)N(c2ccc(Oc4ccccc4)cc2)C(=O)[C@@H]31 ZINC000299816625 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(CCCCCCN2C(=O)[C@@H]4[C@H]5C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]6(C=C5C(C)C)[C@@H]4C2=O)C(=O)[C@@H]13 ZINC000299816671 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(CCCCCCN2C(=O)[C@H]4[C@H](C2=O)[C@H]2C[C@@H]5[C@]6(C)CCC[C@](C)(C(=O)O)[C@@H]6CC[C@@]45C=C2C(C)C)C(=O)[C@@H]13 ZINC000299816672 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(CCCCCCN2C(=O)[C@@H]4[C@H]5C[C@@H]6[C@]7(C)CCC[C@](C)(C(=O)O)[C@@H]7CC[C@@]6(C=C5C(C)C)[C@@H]4C2=O)C(=O)[C@H]13 ZINC000299816673 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@@H]1C(=O)N(CCCCCCN2C(=O)[C@H]4[C@H](C2=O)[C@H]2C[C@@H]5[C@]6(C)CCC[C@](C)(C(=O)O)[C@@H]6CC[C@@]45C=C2C(C)C)C(=O)[C@H]13 ZINC000299816674 KK Annotated Anodyne CCCCCCCOc1cc2c(cc1[C@@]1(C(=O)OC)C[C@@H]3C=C(CC)CN(Cc4c1[nH]c1ccccc41)C3)[C@@]13CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(COC(C)=O)[C@@H]1N2C)[C@H]43 ZINC000299816727 KK Annotated Mild CO[C@]12CC(=O)[C@@]3([C@H](C[C@H]4C[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(OC(C)=O)[C@@H]5C[C@@]43C)C1)[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@H]4CC[C@]3(C)[C@@H]12 ZINC000299816807 KK Annotated Anodyne CO[C@]12CC(=O)[C@@]3([C@H](C[C@H]4C[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(OC(C)=O)[C@@H]5C[C@@]43C)C1)[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@H]4CC[C@]3(C)[C@H]12 ZINC000299816808 KK Annotated Anodyne CO[C@@]12CC(=O)[C@]3([C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](OC(C)=O)CC[C@]7(OC(C)=O)[C@H]6CC[C@]5(C)[C@H]41)[C@H](C[C@H]1C[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@@H]4C[C@@]13C)C2 ZINC000299816809 KK Annotated Anodyne CO[C@@]12CC(=O)[C@]3([C@H]4C[C@H]5[C@@H]6CC=C7C[C@@H](OC(C)=O)CC[C@]7(OC(C)=O)[C@H]6CC[C@]5(C)[C@@H]41)[C@H](C[C@H]1C[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(OC(C)=O)[C@@H]4C[C@@]13C)C2 ZINC000299816810 KK Annotated Anodyne CCOCc1c(C)cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]2(C#N)C(=O)OCC)c1C ZINC000299816823 KK Annotated Mild CCOCc1c(C)cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]2(C#N)C(=O)OCC)c1C ZINC000299816824 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O ZINC000299816851 KK Annotated Mild C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc5C(=O)[C@@H]4C(=O)OC)cc4[nH]c(cc1n2)c(C=O)c4CC)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C ZINC000299816855 KK Annotated Bother C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc5C(=O)[C@@H]4C(=O)OC)cc4[nH]c(cc1n2)c(C=O)c4CC)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]3C ZINC000299816856 KK Annotated Bother C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc5C(=O)[C@@H]4C(=O)OC)cc4[nH]c(cc1n2)c(C=O)c4CC)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3C ZINC000299816857 KK Annotated Bother C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc5C(=O)[C@@H]4C(=O)OC)cc4[nH]c(cc1n2)c(C=O)c4CC)[C@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C ZINC000299816858 KK Annotated Bother CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OCCOC(C)=O)N(C)[C@H]1[C@@](O)(COC(C)=O)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000299816870 KK Annotated Anodyne CCCC[C@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@H](C)/C=C/C(=O)O)O2)O[C@H]1CC/C(C)=C/C(=O)O ZINC000299816871 KK Annotated Anodyne CCCC[C@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1CC/C(C)=C/C(=O)O ZINC000299816872 KK Annotated Anodyne CCCC[C@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@H](C)/C=C/C(=O)O)O2)O[C@@H]1CC/C(C)=C/C(=O)O ZINC000299816873 KK Annotated Anodyne CO[C@@H]1O[C@H](Cc2nnc(C)o2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000299816878 KK Annotated Anodyne CO[C@@H]1O[C@H](Cc2nnc(C)o2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000299816879 KK Annotated Anodyne CO[C@@H]1O[C@H](Cc2nnc(C)o2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000299816880 KK Annotated Anodyne O=S(=O)(C1=C[C@H](S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1cccc2ccccc12)c1ccccc1 ZINC000299816934 KK Annotated Anodyne C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OC)c(CCC(=O)O)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000299816963 KK Annotated Bother COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](OC(=O)/C=C/c5ccc(OC)c(OC)c5)(C(C)=O)CC[C@]43O)C2)cc1OC ZINC000299817031 KK Annotated Anodyne COc1ccc(Cc2cccc([C@@H]3S[C@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@H]1S[C@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000299817037 KK Annotated Anodyne COc1ccc(Cc2cccc([C@@H]3S[C@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1S[C@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000299817038 KK Annotated Anodyne COc1ccc(Cc2cccc([C@@H]3S[C@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@H]1S[C@@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000299817039 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C\CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000299817938 KK Annotated Mild COc1ccc(Nc2nc(=Nc3ccccc3)nc(NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]2)cc1 ZINC000299817956 KK Annotated Mild O=[N+]([O-])c1ccc(Nc2nc(=Nc3ccccc3)nc(NN=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]2)cc1 ZINC000299817962 KK Annotated Mild Cc1ccc(Nc2nc(NN=Cc3cc4c(cc3Br)OCO4)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000299817967 KK Annotated Mild O=[N+]([O-])c1ccc(Nc2nc(=Nc3ccccc3)nc(NN=Cc3cc(Cl)cc(Cl)c3O)[nH]2)cc1 ZINC000299817969 KK Annotated Mild CO[C@@H]1C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/C=C/C=C/C=C/C=C/C[C@H](O)/C(C)=C/CCC(=O)O)C[C@H](O)CCC1 ZINC000299817974 KK Annotated Anodyne C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)COC(=O)CCCCCCCCCCC)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000299817976 KK Annotated Mild COC(=O)CC/C=C(\C)[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C(C)=C/[C@@H](O)[C@@H](C)[C@@H]1C[C@H](O)CCC[C@H](OC)C/C=C\C=C\C[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H](O)CC(=O)O1 ZINC000299817977 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818023 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818024 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818025 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818026 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818027 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818029 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818030 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818033 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCO)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818036 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCO)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818038 KK Annotated Anodyne COC(=O)[C@@H]1CCCCN1C(=O)C(=O)[C@]1(O)O[C@H](C[C@H](OC)/C(C)=C/C=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC[C@H]1C ZINC000299818041 KK Annotated Mild CC[C@H](C)OC(=O)[C@]1(C)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@H](O)[C@H](OC)/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@H]3C)n2)OC1=O ZINC000299818046 KK Annotated Anodyne CC[C@H](C)OC(=O)[C@]1(C)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@H](O)[C@H](OC)/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC1=O ZINC000299818049 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818051 KK Annotated Anodyne CC[C@H](C)OC(=O)[C@]1(C)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@H](O)[C@H](OC)/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@@]3(C)O[C@@H]3C)n2)OC1=O ZINC000299818053 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818056 KK Annotated Anodyne CC[C@H](C)OC(=O)[C@]1(C)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@H](O)[C@H](OC)/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@]3(C)O[C@H]3C)n2)OC1=O ZINC000299818058 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818062 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCOCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818068 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818074 KK Annotated Anodyne CO[C@@H]([C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/NC=O)OC)[C@H](C)[C@H]1OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@H](C)[C@@H](O)C[C@@H](OC)/C=C/[C@@H]1C ZINC000299818077 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818079 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818083 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818086 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818088 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818091 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818098 KK Annotated Mild CCCCCCCCCCCCOC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000299818101 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818102 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818108 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818113 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818182 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818183 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@@H]1C ZINC000299818188 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@@H]1C ZINC000299818189 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818190 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818191 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818192 KK Annotated Anodyne CCCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818193 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818194 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818195 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818196 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818197 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818198 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818199 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818200 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818202 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818203 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818206 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818209 KK Annotated Anodyne CCCCCCCCCCCCCCCCSC[C@H](CO[P@](=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])OCC ZINC000299818210 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Br)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818211 KK Annotated Anodyne CCCCCCCCCCCCCCCCSC[C@@H](CO[P@](=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])OCC ZINC000299818212 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@@H](OC(=O)[C@@H](C)OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000299818223 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000299818229 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](Cl)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818230 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818231 KK Annotated Mild C=C(COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C)[C@@H](O)CC(C)C ZINC000299818234 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818238 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818240 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818241 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818242 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(Cc6ccccc6)CC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818243 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818246 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818248 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C\C(=O)[C@@H]1C ZINC000299818249 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818250 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)C/C=C\C(=O)[C@@H]1C ZINC000299818251 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818252 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000299818253 KK Annotated Mild CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)C/C=C\C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C\CC[C@@H]1C)OC ZINC000299818254 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818255 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818257 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818267 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)/C=C/CC(=O)[C@@H]1C ZINC000299818268 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)/C=C/CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000299818269 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818270 KK Annotated Anodyne CO[C@@H]1c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@H](C)[C@H](C[C@@H](OC)[C@H](C)CCC(=O)[C@@H](C)[C@@H](C/C=C/N(C)C=O)OC)OC(=O)C[C@H](O)/C=C/CC(=O)[C@@H]1C ZINC000299818271 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818272 KK Annotated Anodyne CO[C@@H](C/C=C/N(C)C=O)[C@@H](C)C(=O)CC[C@@H](C)[C@@H](C[C@@H]1OC(=O)C[C@H](O)/C=C/CC(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/CC[C@@H]1C)OC ZINC000299818273 KK Annotated Anodyne CCCCCCCCCCCCCCCCOC[C@@H](C[P@](=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])OCC ZINC000299818274 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5[nH]c(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818275 KK Annotated Anodyne CCCCCCCCCCCCCCCCOC[C@H](C[P@](=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])OCC ZINC000299818276 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818278 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818279 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818280 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818281 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818286 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818287 KK Annotated Reactive CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000299818288 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)C[C@@H]1OC ZINC000299818289 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000299818290 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299818291 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299818292 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299818293 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818296 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818298 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818300 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818302 KK Annotated Clean CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000299818303 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000299818304 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818305 KK Annotated Clean CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000299818306 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5nc6cc(C)ccc6nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818307 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818310 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299818312 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299818315 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299818317 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818320 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818322 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818324 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818326 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818327 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000299818331 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818332 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000299818334 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818336 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818337 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccc(Cl)cc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818339 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818340 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccc(F)cc5)N[C@@H](c5ccc(F)cc5)C3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299818341 KK Annotated Mild CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299818342 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818343 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818345 KK Annotated Mild CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299818346 KK Annotated Anodyne CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299818349 KK Annotated Anodyne CCCCN(CCCC)c1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299818352 KK Annotated Anodyne CCN1CCN(c2cc(O)c3nc4c5c6c7c(C)c(O)c5c(=O)c(c-4oc3c2)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O7)/C6=N\O)CC1 ZINC000299818357 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818363 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818368 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818370 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818371 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818374 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCCC6)nc5c4c3C2=O)N(C)C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818376 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818378 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(-c3ccccc3)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818382 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c(C)ccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818383 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818387 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818389 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818390 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818393 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818395 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818398 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818401 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818402 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(C(=O)OCc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818403 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818405 KK Annotated Bother COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818407 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818409 KK Annotated Reactive COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O6)CC2)cc1 ZINC000299818410 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818411 KK Annotated Bother COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818413 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818415 KK Annotated Bother COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O6)CC2)cc1 ZINC000299818416 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299818417 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cccc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818419 KK Annotated Bother COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O6)CC2)cc1 ZINC000299818421 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(C[C@@H](c5ccccc5)N[C@@H](c5ccccc5)C3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299818422 KK Annotated Mild COc1ccc(N2CCN(c3nc4c(s3)c3c(O)c5c(O)c(C)c6c(c54)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O6)CC2)cc1 ZINC000299818425 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818441 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818446 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818450 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818452 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818454 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6cc(C)cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818456 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCc2ccc(F)cc2)/C=C/C(C)=C/[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818465 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCc2ccc(F)cc2)/C=C/C(C)=C/[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818469 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCc2ccc(F)cc2)/C=C/C(C)=C/[C@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818473 KK Annotated Mild CN(C)CCC/N=C1/c2c(nc3ccc(Cl)cc3c2O)C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 ZINC000299818474 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCc2ccc(F)cc2)/C=C/C(C)=C/[C@@H]1CO[C@@H]1C[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299818476 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C/C(C)=C/[C@H]1CO ZINC000299818480 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C/C(C)=C/[C@@H]1CO ZINC000299818483 KK Annotated Mild CCCNC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818485 KK Annotated Anodyne CCCNC[C@@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818487 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818488 KK Annotated Bother COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818490 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818491 KK Annotated Bother COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818492 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818494 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818496 KK Annotated Bother COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818498 KK Annotated Mild COc1cc(Oc2ccc([C@@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCCCCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299818499 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(C)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818500 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@@H]1CO ZINC000299818501 KK Annotated Mild COc1cc(Oc2ccc([C@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCCCCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299818502 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@H]1CO ZINC000299818503 KK Annotated Mild CCC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818506 KK Annotated Anodyne CCC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818510 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@@H]1C[C@@H]3CC[C@H](C1)N3CC)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299818513 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000299818516 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000299818518 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000299818520 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000299818522 KK Annotated Mild COc1cc(CCC(=O)/C=C/c2ccc(CNc3c4c(nc5cc(Cl)ccc35)C[C@H]3CC(C)=C[C@H]4C3)cc2)ccc1O ZINC000299818524 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818527 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818529 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818531 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818533 KK Annotated Reactive 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CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818545 KK Annotated Anodyne COc1cc(CCC(=O)/C=C/c2ccc(CNc3c4c(nc5cc(Cl)ccc35)C[C@H]3CC(C)=C[C@H]4C3)cc2)cc(CN(C)C)c1O ZINC000299818547 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818549 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818553 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818558 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818562 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]23C[C@@]24CC[C@@]2(C)[C@@](C)(CC[C@]25O[C@]2(C[C@@H](C)C(=O)O2)C[C@H]5C)[C@H]4CC[C@H]3C1(C)C ZINC000299818563 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818566 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]23C[C@@]24CC[C@@]2(C)[C@@](C)(CC[C@]25O[C@@]2(C[C@@H](C)C(=O)O2)C[C@H]5C)[C@H]4CC[C@H]3C1(C)C ZINC000299818567 KK Annotated Anodyne COc1cc(Oc2ccc3cc2/C=C/CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc(-c2ccccc2)n1 ZINC000299818573 KK Annotated Anodyne CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818581 KK Annotated Bother CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818585 KK Annotated Bother CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCC(=O)N(C)C(C)C ZINC000299818588 KK Annotated Anodyne CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818589 KK Annotated Bother CC[N+](CC)(CC)c1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299818592 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299818597 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299818602 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000299818608 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818611 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818615 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299818619 KK Annotated Reactive C1=C/C2=C(\c3ccccc3)[C@H]3C=C[C@@H](N3)/C(c3ccccc3)=c3\cc/c([nH]3)=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C1=N2)C=C3 ZINC000299818623 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299818624 KK Annotated Reactive CCCO[C@H]1[C@H](N(C)C)[C@@H](OCCC)[C@H](O[C@@H]2[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)/C=C(C)/C=C/C(=O)[C@H](C)C[C@@H]2CCN2C(=O)c3ccccc3C2=O)O[C@@H]1C ZINC000299818629 KK Annotated Mild CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C[C@@H](C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299818636 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C[C@H](C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299818646 KK Annotated Anodyne Clc1ccc(-n2c3c/c(=N/CCCCC45CCCCN4CCCC5)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000299818670 KK Annotated Bother COc1ccc(C2=C(O)C[C@@H](Cc3cccc4c3CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1 ZINC000299818678 KK Annotated Mild COc1ccc(C2=C(O)C[C@@H](Cc3cccc4c3CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1 ZINC000299818683 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818685 KK Annotated Anodyne COc1ccc(C2=C(O)C[C@H](Cc3cccc4c3CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1 ZINC000299818689 KK Annotated Mild COc1ccc(C2=C(O)C[C@H](Cc3cccc4c3CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C4)C2=O)cc1 ZINC000299818691 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCOC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818692 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@H]1N1CCCCC1 ZINC000299818696 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCOC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818702 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818707 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(C)(=O)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818715 KK Annotated Anodyne CN1[C@H]2C=C[C@H]1/C(c1ccc(C(=O)O)cc1)=c1/cc/c([nH]1)=C(\c1ccc(C(=O)O)cc1)C1=N/C(=C(/c3ccc(C(=O)O)cc3)C3=N/C(=C\2c2ccc(C(=O)O)cc2)C=C3)C=C1 ZINC000299818722 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299818728 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818734 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818740 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818742 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299818754 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818756 KK Annotated Anodyne CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 ZINC000299818758 KK Annotated Reactive CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 ZINC000299818764 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299818766 KK Annotated Anodyne CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 ZINC000299818772 KK Annotated Reactive CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 ZINC000299818779 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCc5ccco5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818792 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299818795 KK Annotated Anodyne COc1cc(C#CC(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299818798 KK Annotated Mild c1ccc(-n2c3c/c(=N/CCCCC45CCCCN4CCCC5)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000299818804 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299818808 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299818809 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCc5ccco5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818810 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818819 KK Annotated Anodyne CCCNC[C@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818831 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCNCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299818836 KK Annotated Anodyne CCCNC[C@@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818846 KK Annotated Anodyne CCCNC[C@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818861 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\COc5cc(C)cc(c54)C(=O)O3)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299818867 KK Annotated Anodyne CCCNC[C@@]1(O)C[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299818874 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\COc5cc(C)cc(c54)C(=O)O3)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299818880 KK Annotated Anodyne N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299818884 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\COc5cc(C)cc(c54)C(=O)O3)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299818891 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\COc5cc(C)cc(c54)C(=O)O3)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299818900 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818915 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818931 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299818944 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)c(NC(=O)c2cn(Cc3cccc(Oc4ccccc4)c3)nn2)c1O ZINC000299818947 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299818955 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299818964 KK Annotated Anodyne COC(=O)[C@H]1C(c2nc3cc4ccccc4cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299818966 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000299818974 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299818983 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299818993 KK Annotated Anodyne COC(=O)[C@H]1C(c2nc3ccc(C)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299818997 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819004 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCC5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819015 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819020 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CNCC5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819028 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O2 ZINC000299819069 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819111 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299819126 KK Annotated Mild CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819128 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299819133 KK Annotated Mild CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819136 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCCc2ccc3ccccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000299819139 KK Annotated Mild CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819145 KK Annotated Anodyne CCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819152 KK Annotated Anodyne CCN(CC)c1ccc2cc(NC(=O)O[C@H](NC=O)C(=O)NC/C(C)=C/C=C(\C)[C@H]3OC(=O)/C(C)=C/[C@H](C)/C=C/C(C)=C/[C@@H](OC)C/C=C/C(C)=C\CC[C@H](OC)/C=C/C=C/[C@@H]3C)c(=O)oc2c1 ZINC000299819156 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O2 ZINC000299819188 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819189 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819194 KK Annotated Anodyne C#CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CSCN12 ZINC000299819215 KK Annotated Mild COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299819218 KK Annotated Reactive C#CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CSCN12 ZINC000299819219 KK Annotated Mild COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299819221 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299819224 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299819228 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCO[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819235 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819238 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819244 KK Annotated Anodyne C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CCCN12 ZINC000299819252 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2cccc(Cl)c2)[C@@H]1C)C4=O ZINC000299819253 KK Annotated Mild C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CCCN12 ZINC000299819255 KK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000299819259 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000299819263 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000299819265 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000299819268 KK Annotated Anodyne CCCCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)CN2C ZINC000299819269 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC8CCCCC8)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819271 KK Annotated Mild CO[C@H]1C[C@@H](OC)/C=C/[C@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@@H](C)CCC(=O)[C@H](C)[C@@H](C/C=C/NC=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000299819274 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819278 KK Annotated Mild CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299819281 KK Annotated Reactive C=CCCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000299819307 KK Annotated Mild CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(COc4cc5c(C(=O)OCC)c(C)oc5cc4OC)oc3cc2OC)[nH]c2ccc(OS(=O)(=O)O)cc12 ZINC000299819312 KK Annotated Anodyne CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299819332 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819350 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819354 KK Annotated Anodyne CCOC(=O)[C@H](Sc1nc(Cl)nc(Nc2ccc(C3CCCCC3)cc2)n1)c1cccc2ccccc12 ZINC000299819355 KK Annotated Anodyne CCOC(=O)[C@@H](Sc1nc(Cl)nc(Nc2ccc(C3CCCCC3)cc2)n1)c1cccc2ccccc12 ZINC000299819356 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819357 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819360 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OCC(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cn(CC(=O)OCC)nc6[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299819383 KK Annotated Mild CCCCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CCCN12 ZINC000299819386 KK Annotated Mild CCCCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CCCN12 ZINC000299819388 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819393 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819397 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819400 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819404 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299819415 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299819418 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299819419 KK Annotated Anodyne CCCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299819420 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819425 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819426 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819427 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CC(C)C)CC(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819428 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819437 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819438 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819439 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819440 KK Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000299819447 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819448 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819449 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819450 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(c5ccccc5)c5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819451 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819460 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819461 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299819462 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819463 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@@H]1C[C@@H]3CC[C@H](C1)N3)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299819527 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000299819541 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C\C=5)C7)[C@@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000299819547 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C\C=5)C7)[C@@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@]%12%151 ZINC000299819548 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C\C=5)C7)[C@@H]%10[C@@H]4[C@]31C[N+](C)(C)C[C@]%12%151 ZINC000299819549 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C\C=5)C7)[C@@H]%10[C@@H]4[C@]31C[N+](C)(C)C[C@@]%12%151 ZINC000299819550 KK Annotated Bother CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000299819557 KK Annotated Bother C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@H]1C[C@@H]3CC[C@H](C1)N3CCOC)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299819564 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819565 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819566 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819572 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819573 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819574 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299819575 KK Annotated Anodyne COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299819615 KK Annotated Mild COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299819616 KK Annotated Mild COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299819617 KK Annotated Mild COc1c(C)c2c3c4c1C(=O)C(=C(N1CCN(Cc5c(C)cc(C)cc5C)CC1)C4=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299819618 KK Annotated Mild COc1ccc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@@H](O)[C@@]23C)c(OC)c1OC ZINC000299819662 KK Annotated Mild CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299819680 KK Annotated Reactive CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299819683 KK Annotated Reactive CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299819685 KK Annotated Reactive CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299819688 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299819728 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299819732 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299819737 KK Annotated Anodyne Cc1c(C(=O)/C(C=O)=N/Nc2ccccc2)sc2sc(C(=O)/C(C=O)=N/Nc3ccccc3)c(-c3ccccc3)c12 ZINC000299819787 KK Annotated Mild COC(=O)[C@H]1C(c2nc3ccc(Br)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299819793 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819828 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819840 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819848 KK Annotated Anodyne CCCCNc1nc2c(s1)c1c(O)c3c(O)c(C)c4c(c32)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N1)O4 ZINC000299819857 KK Annotated Anodyne N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299819880 KK Annotated Reactive CN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CCCN12 ZINC000299819893 KK Annotated Mild CN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CCCN12 ZINC000299819908 KK Annotated Mild CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5nc6ccc(OS(=O)(=O)O)cc6s5)cc4c3C(=O)OCC)cc12 ZINC000299819933 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000299819961 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CSCN2[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299819965 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000299819966 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CSCN2[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299819978 KK Annotated Mild C=C(CCCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C ZINC000299819988 KK Annotated Reactive C=C(CC[C@@H](COC(C)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)C)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C)C(C)C ZINC000299820011 KK Annotated Mild CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(Cc4ccccc4)oc3cc2OC)[nH]c2ccc(OS(=O)(=O)O)cc12 ZINC000299820032 KK Annotated Anodyne COc1cc(Oc2ccc([C@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCC/C=C/CCCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299820070 KK Annotated Anodyne COc1cc(Oc2ccc([C@@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCC/C=C/CCCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299820077 KK Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@](=O)(c3ccccc3)[C@H](Nc3ccc4ccccc4c3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000299820119 KK Annotated Anodyne C=C(CCCC(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](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C ZINC000299820196 KK Annotated Reactive Cl[P@]12=NP(N3CCC4(CC3)OCCO4)(N3CCC4(CC3)OCCO4)=N[P@]3(Cl)=N[P@]4(=N1)N(CCN4Cc1ccccc1O3)Cc1ccccc1O2 ZINC000299820205 KK Annotated Reactive Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 ZINC000299820211 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299820278 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299820279 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299820280 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN=[N+]=[N-])[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299820281 KK Annotated Clean C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@@H]1C[C@@H]3CC[C@H](C1)N3CCOC)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299820291 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299820294 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299820295 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299820296 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299820297 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299820300 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299820301 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299820302 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299820303 KK Annotated Anodyne COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299820326 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299820327 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299820328 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299820329 KK Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@H]1C[C@@H]3CC[C@H](C1)N3CC)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299820331 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5ccccc5)CC3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299820335 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)ccc6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299820355 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2cccc(Oc3ccccc3)c2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299820360 KK Annotated Mild Fc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N/CCCCC23CCCCN2CCCC3)cc1 ZINC000299820415 KK Annotated Bother C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)cc1 ZINC000299820428 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)N2CCC(NCc3ccccc3)CC2)[C@@H]1C)C4=O ZINC000299820518 KK Annotated Mild CN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)CN2C ZINC000299820522 KK Annotated Mild COc1cc(-c2ccc([C@@]3(C)CC(S(=O)(=O)c4ccc(F)cc4)=C(c4ccc(/C(N)=N\O)cc4)O3)cc2)cc(OC)c1OC ZINC000299820577 KK Annotated Mild COc1cc(-c2ccc([C@]3(C)CC(S(=O)(=O)c4ccc(F)cc4)=C(c4ccc(/C(N)=N\O)cc4)O3)cc2)cc(OC)c1OC ZINC000299820584 KK Annotated Mild COC(=O)[C@H]1C(c2nc3cc(Cl)c(Cl)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299820627 KK Annotated Anodyne COC(=O)[C@H]1C(c2nc3ccc(C(F)(F)F)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299820649 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)Oc3ccc(C#N)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cn(C(C)=O)nc6[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299820750 KK Annotated Mild COc1cc(/C=C/C(=O)OCCCCN(C)CCCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000299820754 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299820799 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299820809 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299820824 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C\CC/C(C)=C\C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000299820826 KK Annotated Mild COc1cc(/C=C/C(=O)OCCCN(C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000299820833 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(CC6CCCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299820836 KK Annotated Anodyne C/C(=C/CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C ZINC000299820890 KK Annotated Reactive N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CCCN2[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299820951 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299820961 KK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN[C@H](c1ccc(F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000299820965 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN[C@@H](c1ccc(F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000299820969 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCc1cn(CCCCC[C@H]2CC=CC(=O)O2)nn1 ZINC000299821060 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299821062 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCc1cn(CCCCC[C@@H]2CC=CC(=O)O2)nn1 ZINC000299821063 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@@H]1C[C@@H]3CC[C@H](C1)N3C)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299821069 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299821072 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299821157 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299821158 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299821159 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299821160 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ncc[nH]5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299821168 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ncc[nH]5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299821169 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000299821178 KK Annotated Reactive CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCOc2ccc(Oc3ccccc3)cc2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC ZINC000299821179 KK Annotated Mild CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCCNN1CCCC1 ZINC000299821218 KK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1OC ZINC000299821228 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1OC ZINC000299821229 KK Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299821286 KK Annotated Mild COc1ccc2c(Oc3ccc([C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc4ccccc4C(=O)NS(=O)(=O)c4ccccc4)cc3)cc(-c3ccccc3)nc2c1 ZINC000299821304 KK Annotated Anodyne COc1ccccc1-c1cc(CNC(=O)O[C@@H]2[C@H](C)[C@@H](OC)/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(c4C3=O)C(=O)C(N3CCOCC3)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H]2C)C5=O)on1 ZINC000299821330 KK Annotated Mild CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c(Cl)c1 ZINC000299821355 KK Annotated Anodyne CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)CSc2ncncc2-c2cccc3ccccc23)c(Cl)c1 ZINC000299821356 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N2CCOCC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)NCc2ccc(C(F)(F)F)cc2)[C@@H]1C)C4=O ZINC000299821368 KK Annotated Mild COC(=O)[C@H]1C(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299821386 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(CC(C)C)CC7)cc(C)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299821413 KK Annotated Mild COc1cc(Oc2ccc([C@@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCC/C=C/CCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299821518 KK Annotated Anodyne COc1cc(Oc2ccc([C@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCC/C=C/CCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299821524 KK Annotated Anodyne C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299821551 KK Annotated Mild C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299821560 KK Annotated Mild C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299821567 KK Annotated Mild C#CCN(CCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299821576 KK Annotated Mild CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000299821624 KK Annotated Mild CCc1oc(=O)c(Cc2c(O)c3c(c(C(=O)[C@@H](C)CC)c2O)OC(C)(C)C(Br)=C3)c(O)c1C ZINC000299821643 KK Annotated Anodyne COc1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCCCC23CCCCN2CCCC3)cn1 ZINC000299821691 KK Annotated Bother C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C[C@@H](C)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299821696 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C[C@H](C)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299821707 KK Annotated Mild COc1cc(C#CC(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299821732 KK Annotated Mild C=C(CCCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299821747 KK Annotated Reactive C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccc(C)cc3)[C@H]3[C@@H](OC(=O)c4ccc(C)cc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000299821853 KK Annotated Mild CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299821867 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299821872 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299821879 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299821884 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCCN1CCCC1 ZINC000299821953 KK Annotated Anodyne CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)n(-c3ccc(C(=O)O)cn3)c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000299821956 KK Annotated Anodyne COC(=O)[C@H]1C(c2nc3cc(C)c(C)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299822003 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000299822072 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@]3(CCN(Cc5cnc6ccccc6c5)C3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299822083 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=N[C@@]3(CCN(Cc5cnc6ccccc6c5)C3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299822087 KK Annotated Mild CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C/C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000299822091 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)/C=C3\O[C@@](C)(C[C@@H]31)/C1=C/C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C/[C@H]12 ZINC000299822093 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@H](O)NC=O)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000299822097 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)NCCCCCOc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000299822109 KK Annotated Anodyne CO[C@@H]1C[C@H](OC(N)=O)[C@@H]2C=C[C@@H]3/C=C(C)/C=C/[C@@H](C)[C@H](/C(C)=C/[C@@H](C)NC(C)=O)OC(=O)/C=C/C=C(C)\C=C\[C@]3(C)[C@@H]2C1 ZINC000299822112 KK Annotated Anodyne c1ccc(COC[C@H]2O[C@@H]3c4c(ccc5ccccc45)SC[C@@H]3[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000299822162 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)c5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822210 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)c5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822215 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299822233 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C4=O ZINC000299822242 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299822253 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(OC(=O)C(C)(C)C)c4c(c3C2=O)C(=O)C(N2CCN(Cc3c(C)cc(C)cc3C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O ZINC000299822265 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCO[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822279 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)NC(=O)Nc3ccccc3C)cc2)s1 ZINC000299822295 KK Annotated Anodyne Cc1ccc([C@@H]2CC(c3cccs3)=NN2c2ccc(S(=O)(=O)NC(=O)Nc3ccccc3C)cc2)s1 ZINC000299822297 KK Annotated Anodyne C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C[C@H]7CCO)c7ccccc7N(C=C([C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 ZINC000299822318 KK Annotated Mild C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(CC=C)C[C@H]7CCO)c7ccccc7N(C=C([C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 ZINC000299822328 KK Annotated Mild C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C[C@H]7CC)c7ccccc7N(C=C([C@@H](C[C@@H]31)[C@H](CCO)C2)[C@H]54)[C@@H]69 ZINC000299822335 KK Annotated Mild COC(=O)[C@H]1C(c2nc3ccc(Cl)cc3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299822338 KK Annotated Anodyne C=CC[N@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C[C@H]7CCO)c7ccccc7N(C=C([C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 ZINC000299822340 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299822375 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CCCN2[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299822381 KK Annotated Mild COc1cc(/C=C/C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299822391 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=N\NC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822401 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=N\NC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822411 KK Annotated Reactive CC[C@@H]1C[N@@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(C)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299822459 KK Annotated Bother C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)Cc3ccccc3)[C@H]3[C@@H](OC(=O)Cc4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000299822463 KK Annotated Mild CC[C@@H]1C[N@@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299822467 KK Annotated Bother CC[C@@H]1C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299822473 KK Annotated Bother CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822476 KK Annotated Anodyne CC[C@@H]1C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(C)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299822483 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299822512 KK Annotated Anodyne Ic1ccc2c(c1)CN1c3ccc(I)cc3CN2C1N1CCCCC1 ZINC000299822516 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299822519 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822526 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299822532 KK Annotated Anodyne COC(=O)[C@H]1C(c2nc3ccc(F)c(Cl)c3[nH]2)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000299822569 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822571 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822581 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822589 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](OCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822600 KK Annotated Anodyne Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/CCC[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299822626 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/CCC23CCCN2CCC3)cc1 ZINC000299822646 KK Annotated Bother COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1OC ZINC000299822731 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1OC ZINC000299822734 KK Annotated Reactive COc1cc(Oc2ccc3cc2/C=C/CCS(=O)(=O)NC(=O)c2ccccc2NC(=O)[C@H]3NC(=O)OC(C)(C)C)nc(-c2ccccc2)n1 ZINC000299822797 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@@]3(O)CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C3=C[C@H](O)[C@@]2(O)C1 ZINC000299822839 KK Annotated Anodyne C/C(=C/CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000299822904 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822951 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822954 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C/C=C/C(=O)[C@H](C)[C@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CC[C@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O ZINC000299822957 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(F)(F)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822960 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C(F)(F)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822961 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822962 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)C(F)(F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822963 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)C(F)(F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822964 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCOCCOC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822965 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822966 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299822967 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000299822968 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C/C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000299822969 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@]5(C)CCC(=O)[C@@H](C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299822972 KK Annotated Mild COc1cc(/C=C/C(=O)OCCCN(C)CCCCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000299822978 KK Annotated Anodyne COc1cc(C#CC(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299822998 KK Annotated Mild CC(=O)Oc1cc2c(cc1C(C)C)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000299823027 KK Annotated Anodyne CC[C@@H]1CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CC ZINC000299823114 KK Annotated Anodyne Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-c2ccc(Cl)cc2)n1 ZINC000299823143 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCCCN(C)CCCOC(=O)C2c3ccccc3-c3ccccc32)cc(OC)c1OC ZINC000299823149 KK Annotated Anodyne CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5ccc(C(C)(C)C)cc5)cc4O)sc3c2)CC1 ZINC000299823193 KK Annotated Reactive C#CC[C@H](/C=C/C(C)=C/[C@@H](O)[C@H]1C[C@@H](OC)C[C@@](O)(Cc2nc(/C=C(\C)[C@@H]3O[C@@H]4C/C=C/c5nc(co5)[C@H]5C[C@H](O)C[C@@H](C[C@H]6CC(=C)C[C@H](C/C=C\C(=O)O[C@@H]([C@H]4C)[C@H]3C)O6)O5)co2)O1)OC ZINC000299823203 KK Annotated Mild O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299823245 KK Annotated Reactive COc1cc(NC(=S)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc(OC)c1OC ZINC000299823285 KK Annotated Reactive C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)OCC/C=C/c2cc(nc(-c3ccccc3)n2)Oc2ccc1cc2 ZINC000299823347 KK Annotated Mild FC(F)(F)c1cc(Cc2c3[n+](cc4c5c(ccc24)OCO5)CCc2cc4c(cc2-3)OCO4)cc(C(F)(F)F)c1 ZINC000299823350 KK Annotated Anodyne N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(N)=O ZINC000299823362 KK Annotated Reactive Nc1sc(C#Cc2ccccc2)c(CN(C2CCCCC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 ZINC000299823370 KK Annotated Mild C=C(C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@@H](C/C=C/C(C)(C)O)COC(C)=O)CC[C@@]24C)C[C@]13CCC(=O)O ZINC000299823440 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)C[C@H](Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823455 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)C[C@H](Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823463 KK Annotated Mild COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(CN(C)C)c(O)c(OC)cc4c23)ccc1O ZINC000299823468 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)C[C@H](Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823472 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5[C@@H](C)C[C@H](Cc6ccccc6)C[C@H]5C)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823480 KK Annotated Mild CCCCOC(=O)COC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)cc1OCC ZINC000299823481 KK Annotated Anodyne CO[C@@H]1/C=C/C[C@@H](C)C[C@@H](OC)/C=C/C[C@@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)CN(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)OC(=O)/C=C/C=C/C[C@@H](OC(=O)CN(C)C)[C@@H](C)[C@H](O)[C@H](C)CC1 ZINC000299823489 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299823496 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299823501 KK Annotated Anodyne CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823527 KK Annotated Anodyne CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299823528 KK Annotated Mild CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823529 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823530 KK Annotated Bother CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823531 KK Annotated Anodyne CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299823532 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823533 KK Annotated Bother CCOC(=O)C1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823534 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823535 KK Annotated Bother CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299823538 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(C)ccc6nc-5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823539 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823542 KK Annotated Anodyne CCCCCCN(CCCCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299823545 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823546 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823549 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823553 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@@H](OC(C)=O)[C@H]1C)[C@@H]2C ZINC000299823558 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@@H](OC(C)=O)[C@@H]1C)[C@@H]2C ZINC000299823561 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@H](OC(C)=O)[C@@H]1C)[C@@H]2C ZINC000299823565 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@H](OC(C)=O)[C@H]1C)[C@@H]2C ZINC000299823569 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823573 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823574 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823578 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823580 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823583 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823584 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823587 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823591 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823593 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823596 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823600 KK Annotated Anodyne CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823604 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823606 KK Annotated Anodyne CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823608 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823609 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823611 KK Annotated Anodyne CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823612 KK Annotated Mild COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000299823614 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823615 KK Annotated Anodyne CCCCCCCCCCCCN1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000299823617 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(Cc7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823621 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000299823624 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823629 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823638 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823643 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCN(c7ccccc7)CC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823652 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299823658 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299823665 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299823671 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299823675 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299823685 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299823688 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299823694 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299823698 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@@H]1C ZINC000299823716 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@@H]1C ZINC000299823719 KK Annotated Anodyne C=C(CCCC(C)(C)OC(=O)CCl)[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 ZINC000299823766 KK Annotated Reactive C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)CN2C ZINC000299823787 KK Annotated Mild O[C@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1cccc(Cl)c1 ZINC000299823914 KK Annotated Anodyne O[C@@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1cccc(Cl)c1 ZINC000299823917 KK Annotated Anodyne C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CCO)C[C@H](O)[C@H]3C ZINC000299823935 KK Annotated Mild COc1ccc(/C=C\C(=O)O)c(OCc2cn(P(=O)(Oc3ccccc3)Oc3ccccc3)nn2)c1CC=C(C)C ZINC000299823955 KK Annotated Anodyne O=C1/C(=C/c2coc3ccc(Br)cc3c2=O)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000299824005 KK Annotated Anodyne CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2Cl)cc1O[C@@H]1C[C@@H]2C[C@@H]2C1 ZINC000299824045 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21 ZINC000299824062 KK Annotated Anodyne Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3ccc(C)s3)cc2)cc1 ZINC000299824101 KK Annotated Anodyne Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3ccc(C)s3)cc2)cc1 ZINC000299824110 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299824258 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299824268 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299824277 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299824289 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@H](C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299824322 KK Annotated Mild C[C@@](Cc1cn(CC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)(OCc1cn(CC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299824412 KK Annotated Anodyne C[C@](Cc1cn(CC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)(OCc1cn(CC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299824422 KK Annotated Anodyne C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299824426 KK Annotated Mild COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCCCc1cn(CCCCC[C@H]2CC=CC(=O)O2)nn1 ZINC000299824436 KK Annotated Anodyne C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299824441 KK Annotated Mild COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCCCc1cn(CCCCC[C@@H]2CC=CC(=O)O2)nn1 ZINC000299824443 KK Annotated Anodyne C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299824453 KK Annotated Mild C=CCN(CC=C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299824467 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299824501 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299824513 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299824528 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)CC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299824540 KK Annotated Anodyne COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn(CN3CCOCC3)c2=S)cc1OC ZINC000299824558 KK Annotated Mild CCCCCc1cn(CCCNCc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)nn1 ZINC000299824563 KK Annotated Clean COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000299824593 KK Annotated Anodyne S=c1n(CN2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccco1 ZINC000299824595 KK Annotated Mild CC(=O)Oc1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000299824684 KK Annotated Anodyne COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn(CN3CCCCC3)c2=S)cc1OC ZINC000299824701 KK Annotated Mild COc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3cccs3)cc2)cc1 ZINC000299824720 KK Annotated Anodyne COc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3cccs3)cc2)cc1 ZINC000299824727 KK Annotated Anodyne Cc1ccc(N(Cc2cn(-c3cc4ccccc4oc3=N)nn2)C2=CC(=O)c3ccccc3C2=O)c(C)c1 ZINC000299824795 KK Annotated Mild N=c1oc2ccccc2cc1-n1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccccc2Cl)nn1 ZINC000299824836 KK Annotated Mild c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCCCCCC23CCCCN2CCCC3)cc1 ZINC000299824904 KK Annotated Bother COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1OC ZINC000299824972 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1OC ZINC000299824973 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825024 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](S(=O)(=O)CC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825025 KK Annotated Anodyne CC(C)=CCOc1ccc(-c2c(C)c3cc(Br)cc(Br)c3oc2=O)cc1OCC=C(C)C ZINC000299825034 KK Annotated Anodyne COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3-c3ccccc3C(F)(F)F)C[C@]21C ZINC000299825059 KK Annotated Anodyne CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000299825108 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@@H](N(C)C(C)=O)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825111 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C[C@H](N(C)C(C)=O)/C(C)=C\[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825118 KK Annotated Anodyne N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CCCN2[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299825132 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CCCN2[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299825143 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299825145 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299825149 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825154 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299825160 KK Annotated Anodyne COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1F ZINC000299825325 KK Annotated Anodyne Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2-c2ccc(Cl)cc2)n1 ZINC000299825418 KK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N3CC4(CCS(=O)(=O)CC4)C3)nc2CC2CCCCC2)c2ccccc12 ZINC000299825438 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299825447 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299825460 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825470 KK Annotated Reactive COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nc3Oc3c(F)cccc32)cc1 ZINC000299825475 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299825477 KK Annotated Reactive COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCCCCCCCCCCCc1cn(CCCCC[C@H]2CC=CC(=O)O2)nn1 ZINC000299825529 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCCCCCCCCCCCc1cn(CCCCC[C@@H]2CC=CC(=O)O2)nn1 ZINC000299825535 KK Annotated Anodyne CC(=O)Oc1cc2c(cc1C(C)C)/C(=N/NS(=O)(=O)c1ccc(C)cc1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000299825556 KK Annotated Mild Cc1c(C(=O)N[C@@H]2C[C@@H](C(=O)O)C2)cc(-c2ccc(-[n+]3cccn3C(C)C)c(C(C)(C)C)c2)n1CC1CCCCC1 ZINC000299825580 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299825614 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825660 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825667 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825673 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299825680 KK Annotated Anodyne COc1cc(-c2c3c4cc(OC)c(O)c(CN(C)C)c4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000299825755 KK Annotated Clean COc1ccc(C(=O)N2CCC3(CC2)Nc2cc(OC(F)(F)F)ccc2-n2cccc23)cc1N(C)C ZINC000299825782 KK Annotated Anodyne C[C@@](Cc1cn(CC(=O)c2ccc(Br)cc2)nn1)(OCc1cn(CC(=O)c2ccc(Br)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299825869 KK Annotated Anodyne C[C@](Cc1cn(CC(=O)c2ccc(Br)cc2)nn1)(OCc1cn(CC(=O)c2ccc(Br)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299825871 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299825888 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299825890 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299825892 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299825894 KK Annotated Anodyne CCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3ccccc3)c2-c2ccc(Br)cc2)s1 ZINC000299825896 KK Annotated Anodyne COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n(C)c3c(CN4CCN(C)CC4)c(-c4ccccc4)nn23)cc1 ZINC000299825912 KK Annotated Anodyne CCCN(CCC)Cc1c(O)c(OC)cc2c1oc(=O)c1c2c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21 ZINC000299825970 KK Annotated Clean O=C(Cn1cc(CO[C@@H](Cc2cn(CC(=O)c3ccc(Br)cc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(Br)cc1 ZINC000299825972 KK Annotated Anodyne O=C(Cn1cc(CO[C@H](Cc2cn(CC(=O)c3ccc(Br)cc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(Br)cc1 ZINC000299825977 KK Annotated Anodyne CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)N1Cc2ccccc2C1 ZINC000299825995 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299826011 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299826014 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299826017 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(Cc5ccccc5)Cc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299826019 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299826025 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299826026 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299826027 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299826028 KK Annotated Reactive O[C@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1ccc(F)cc1 ZINC000299826044 KK Annotated Anodyne O[C@@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1ccc(F)cc1 ZINC000299826046 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299826051 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299826055 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299826063 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(C)C5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299826070 KK Annotated Anodyne C#CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)CN2C ZINC000299826095 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299826112 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299826118 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299826123 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC[C@@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299826130 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCC/C=C/c2cc(nc(-c3ccccc3)n2)Oc2ccc1cc2)C(C)(C)C ZINC000299826139 KK Annotated Anodyne CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299826155 KK Annotated Anodyne C/C(=C/CCC(C)(C)OC(=O)CCl)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C ZINC000299826198 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299826268 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299826280 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299826287 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5[C@@H](C)COC[C@H]5C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299826297 KK Annotated Anodyne COCCOc1cc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ncc(Cl)cn4)n(C)c3c2)ccc1/C=C/C(=O)O ZINC000299826323 KK Annotated Anodyne CCOc1cc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ncc(Cl)cn4)n(C)c3c2)ccc1/C=C/C(=O)O ZINC000299826374 KK Annotated Anodyne COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299826432 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299826445 KK Annotated Reactive CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299826452 KK Annotated Anodyne N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299826453 KK Annotated Mild COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299826458 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299826469 KK Annotated Reactive N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CCCN2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299826471 KK Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c2oc3c4c(c(C(=O)[C@@H](C)CC)c(O)c3c2c1O)OC(C)(C)C=C4 ZINC000299826495 KK Annotated Mild COc1ccc(O[C@H](c2cnn(C)c2)[C@@H](Oc2ccc(OC)cc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)cc1 ZINC000299826540 KK Annotated Mild COc1ccc(O[C@H]([C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@H](Oc2ccc(OC)cc2)c2cnn(C)c2)cc1 ZINC000299826549 KK Annotated Mild CC(C)(C)CC(C)(C)Nc1c(-c2ccc(Cl)cc2)nc2scc(-c3ccc(Br)cc3)n12 ZINC000299826550 KK Annotated Anodyne C=CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CSCN12 ZINC000299826569 KK Annotated Mild CCC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@@H]3C[C@@H](C(=O)O)C3)nc2CC2CCCCC2)c(Cl)c1C ZINC000299826583 KK Annotated Anodyne COc1cc(C#CC(=O)OCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299826618 KK Annotated Mild CN1C(=O)C(=Cc2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)s3)s2)C(=O)N(C)C1=O ZINC000299826630 KK Annotated Clean COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299826672 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299826677 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299826684 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 ZINC000299826690 KK Annotated Reactive Cc1ccc(NC(=O)C[C@H](CCC(=O)O)c2nnn([C@@H]3C[C@H](CC(C)(C)C)C3)c2C(F)(F)F)c(C)c1 ZINC000299826697 KK Annotated Anodyne COc1ccc(OC)c(NC(=S)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 ZINC000299826698 KK Annotated Reactive CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@@H]2O)C1(C)C ZINC000299826749 KK Annotated Mild CCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@H]2O)C1(C)C ZINC000299826768 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)[C@H](C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299826807 KK Annotated Mild COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(CN5CCCCC5)c(O)c(OC)cc4c23)ccc1O ZINC000299826822 KK Annotated Clean COc1cccc([C@@H](O)CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)c1 ZINC000299826961 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N(C)C(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299826965 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N(C)C(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299826971 KK Annotated Reactive COc1cccc([C@H](O)CCn2nc3c(Br)c(Br)c(Br)c(Br)c3n2)c1 ZINC000299826979 KK Annotated Anodyne O[C@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1cccc(Br)c1 ZINC000299826993 KK Annotated Anodyne COc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@@H]3c3ccc(C)s3)cc2)cc1 ZINC000299827008 KK Annotated Anodyne O[C@@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1cccc(Br)c1 ZINC000299827010 KK Annotated Anodyne COc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4cccs4)C[C@H]3c3ccc(C)s3)cc2)cc1 ZINC000299827016 KK Annotated Anodyne CCN(CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299827017 KK Annotated Anodyne O=c1c2ccccc2nc2n(/N=C/c3ccccc3)c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn12 ZINC000299827058 KK Annotated Mild CCN(CC)Cc1c(O)c(OC)cc2c1oc(=O)c1c2c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21 ZINC000299827060 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299827089 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299827098 KK Annotated Anodyne CCOc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O ZINC000299827106 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299827113 KK Annotated Anodyne CCOc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(O)c(OCC)c3)C2=O)ccc1O ZINC000299827117 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccccc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299827130 KK Annotated Anodyne CC(C)NCCNC(=O)CN(CC(=O)N(C)C1Cc2ccccc2C1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299827139 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299827156 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299827166 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299827176 KK Annotated Anodyne CCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299827185 KK Annotated Anodyne C#CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CCCN12 ZINC000299827197 KK Annotated Mild C#CCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CCCN12 ZINC000299827198 KK Annotated Mild O[C@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1ccc(Cl)cc1 ZINC000299827221 KK Annotated Anodyne O[C@@H](CCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1)c1ccc(Cl)cc1 ZINC000299827223 KK Annotated Anodyne Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc5c4[C@@H](c4cc(O)cc(O)c4)[C@H](c4ccc(O)cc4)O5)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000299827294 KK Annotated Anodyne CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@H](O)C[N+](C)(C)CC[N+](C)(C)C[C@@H](O)COC(=O)[C@]4(C)CCC[C@]5(C)[C@H]6CCC(C(C)C)=CC6=CC[C@@H]45)CCC[C@]3(C)[C@H]2CC1 ZINC000299827331 KK Annotated Bother CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)CC[N+](C)(C)C[C@@H](O)COC(=O)[C@]4(C)CCC[C@]5(C)[C@H]6CCC(C(C)C)=CC6=CC[C@@H]45)CCC[C@]3(C)[C@H]2CC1 ZINC000299827334 KK Annotated Bother CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)OC[C@@H](O)C[N+](C)(C)CC[N+](C)(C)C[C@H](O)COC(=O)[C@]4(C)CCC[C@]5(C)[C@H]6CCC(C(C)C)=CC6=CC[C@@H]45)CCC[C@]3(C)[C@H]2CC1 ZINC000299827337 KK Annotated Bother Cc1ccc(NC(=O)C[C@H](CCC(=O)O)c2noc([C@@H]3C[C@H](CC(C)(C)C)C3)c2C2CC2)c(Cl)c1 ZINC000299827340 KK Annotated Anodyne CC1(C)C(=O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@H]([C@H](CCC(=O)O)C(=O)OCc2ccccc2)[C@]1(C)CC3=O ZINC000299827392 KK Annotated Mild O=C1N=C(N2CCN([C@H](c3ccc(Cl)cc3)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299827444 KK Annotated Clean O=C1N=C(N2CCN([C@@H](c3ccc(Cl)cc3)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299827445 KK Annotated Clean COc1ccc(O[C@@H]([C@@H](COCc2ccccc2)N=[N+]=[N-])[C@H](Oc2ccc(OC)cc2)c2cnn(C)c2)cc1 ZINC000299827483 KK Annotated Clean COc1ccc(O[C@H](c2cnn(C)c2)[C@H](Oc2ccc(OC)cc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N=[N+]=[N-])cc1 ZINC000299827492 KK Annotated Clean COc1ccc(O[C@@H]([C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N=[N+]=[N-])[C@H](Oc2ccc(OC)cc2)c2cnn(C)c2)cc1 ZINC000299827495 KK Annotated Clean CCN(CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299827551 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299827573 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299827576 KK Annotated Anodyne COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000299827609 KK Annotated Anodyne COc1cc(-c2c3c4cc(OC)c(O)c(CN(C)C)c4oc(=O)c3n3ccc4c(CN(C)C)c(O)c(OC)cc4c23)ccc1O ZINC000299827697 KK Annotated Clean CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)S1)c1ccccc1 ZINC000299827756 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)S1)c1ccccc1 ZINC000299827760 KK Annotated Anodyne COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CC(=O)C[C@H]1c2c4c(cc(OC)c2-c2cc(OC)c5cc(OC)c(OC)cc5c2N1C)OCO4)c1c2c(cc(OC)c1-3)OCO2 ZINC000299827787 KK Annotated Clean COc1ccc(/C(=N/NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccccc2)cc1 ZINC000299827790 KK Annotated Reactive COc1ccc(/C(=N/NC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccccc2)cc1 ZINC000299827792 KK Annotated Reactive COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CC(=O)C[C@@H]1c2c4c(cc(OC)c2-c2cc(OC)c5cc(OC)c(OC)cc5c2N1C)OCO4)c1c2c(cc(OC)c1-3)OCO2 ZINC000299827793 KK Annotated Clean O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000299827848 KK Annotated Anodyne O=C1N(Cc2ccccc2Cl)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccc(Br)cc12 ZINC000299827851 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)c3c(cc(OC)c4c(=O)c5cc6ccccc6nc5n(C)c34)OC2(C)C)cc1 ZINC000299827863 KK Annotated Bother CC[C@@H]1CN2CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(C=C([C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CCO ZINC000299827879 KK Annotated Anodyne CC[C@@H](C)CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@H]2O)C1(C)C ZINC000299827896 KK Annotated Anodyne CC[C@@H](C)CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@@H]2O)C1(C)C ZINC000299827898 KK Annotated Anodyne CC[C@H](C)CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@@H]2O)C1(C)C ZINC000299827901 KK Annotated Anodyne CC[C@H](C)CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@H]2O)C1(C)C ZINC000299827904 KK Annotated Anodyne Cl[P@]12=NP(N3CCC4(CC3)OCCO4)(N3CCC4(CC3)OCCO4)=N[P@]3(Cl)=N[P@]4(=N1)N(CCCN4Cc1ccccc1O3)Cc1ccccc1O2 ZINC000299827928 KK Annotated Reactive Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 ZINC000299827931 KK Annotated Reactive CCOC(=O)c1nn(-c2ccccc2)cc1C(=O)c1sc2sc(C(=O)c3cn(-c4ccccc4)nc3C(=O)OCC)c(-c3ccccc3)c2c1C ZINC000299827958 KK Annotated Anodyne CCOC(=O)c1c(C)[nH]c2ccc(OCc3c(C(=O)OCC)c4cc(OS(=O)(=O)O)ccc4n3C(=O)OC(C)(C)C)cc12 ZINC000299827971 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](OC(C)=O)c3c(cc(OC)c4c(=O)c5cc6ccccc6nc5n(C)c34)OC2(C)C)cc1 ZINC000299827988 KK Annotated Bother CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2O)C1(C)C ZINC000299827991 KK Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@H]2O)C1(C)C ZINC000299827992 KK Annotated Anodyne C=C(CC[C@@H](COC(C)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)O)[C@@]4(CCC(=O)O)C[C@@]34CC[C@]12C)C(C)C ZINC000299828004 KK Annotated Mild CC(C)(CCC[C@@](C)(OC(=O)CCl)[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)OC(=O)CCl ZINC000299828010 KK Annotated Reactive COc1c(C)c(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)[C@@H]1O)O2 ZINC000299828031 KK Annotated Mild COc1c(C)c(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)[C@H]1O)O2 ZINC000299828032 KK Annotated Mild CO[C@@]1(C/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)C(=O)c2c(O)cc(C)c3c(O)c(C)c(O)c(c23)C1=O ZINC000299828035 KK Annotated Anodyne FC(F)(F)c1cc(-n2cc(CN3CCN(C4CCCCC4)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299828088 KK Annotated Anodyne Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/CC[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299828117 KK Annotated Bother Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/CC[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299828122 KK Annotated Bother COc1ccc(O[C@H]([C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299828160 KK Annotated Mild COc1cc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@@H](O)[C@@]23C)cc(OC)c1OC ZINC000299828182 KK Annotated Mild COc1ccc(O[C@H](c2cnc(N(C)C)nc2)[C@@H](Oc2ccc(OC)cc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)cc1 ZINC000299828183 KK Annotated Mild COc1ccc(/C=C\C(=O)O)c(OCc2cn(-c3ccccc3I)nn2)c1CC=C(C)C ZINC000299828191 KK Annotated Anodyne CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)Nc3ccc4ccccc4n3)C2)C1=O ZINC000299828203 KK Annotated Anodyne O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299828265 KK Annotated Reactive CN(C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc12 ZINC000299828289 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC(=O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828290 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC(=O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828296 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC(=O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828303 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC(=O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828309 KK Annotated Anodyne COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(/C=C(\C#N)C(N)=O)s4)cc2n3C(C)(C)C)cc1 ZINC000299828345 KK Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299828361 KK Annotated Clean O[C@](c1ccncc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1 ZINC000299828400 KK Annotated Anodyne N#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1 ZINC000299828416 KK Annotated Reactive COCCCNc1nc(Nc2ccc(C#N)cc2)nc(Nc2c(Br)cc(C)cc2Br)n1 ZINC000299828422 KK Annotated Mild O[C@@](c1ccncc1)(c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1)c1cncs1 ZINC000299828424 KK Annotated Anodyne Cc1ccc(N(Cc2cn(-c3cc4cc(Br)ccc4oc3=N)nn2)C2=CC(=O)c3ccccc3C2=O)cc1 ZINC000299828430 KK Annotated Mild O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299828438 KK Annotated Reactive O=C(Cn1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)nn1)c1ccccc1 ZINC000299828443 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC(=O)[C@@H]4[C@@]5(C)CCC(=O)[C@H](C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299828447 KK Annotated Mild COc1ccc(C(=NNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(OC)cc2)cc1 ZINC000299828452 KK Annotated Reactive COc1ccc(C(=NNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(OC)cc2)cc1 ZINC000299828455 KK Annotated Reactive COc1ccc(O[C@@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Oc2ccc(OC)cc2)c2cnc(N)nc2)cc1 ZINC000299828469 KK Annotated Anodyne COc1cc(CC/C=C/C(=O)CCc2ccc(OCCCCC[n+]3ccccc3)c(OC)c2)ccc1OCCCCC[n+]1ccccc1 ZINC000299828488 KK Annotated Mild CCN(CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299828499 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCCCN5CCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299828523 KK Annotated Clean CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828554 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828559 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828563 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C[C@H](O)[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299828564 KK Annotated Anodyne COc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)ccc1OCc1ccccc1 ZINC000299828578 KK Annotated Mild O=C(O)CCN1C(=O)/C(=C2\C(=O)c3cc(Br)ccc3N2Cc2c(Cl)cccc2Cl)SC1=S ZINC000299828592 KK Annotated Mild COc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C2=O)ccc1OCc1ccccc1 ZINC000299828603 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299828629 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(=O)c(c5oc6cc(N7CCN(C)CC7)cc(O)c6nc-5c4c3/C2=N/O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299828640 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299828665 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299828670 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299828672 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC5CCCCCCCCCCCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299828674 KK Annotated Mild CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C ZINC000299828687 KK Annotated Reactive Cc1c(C(=O)/C=C/N(C)C)sc2sc(C(=O)c3ccc(-c4sc5sc(C(=O)/C=C/N(C)C)c(-c6ccccc6)c5c4C)nc3)c(-c3ccccc3)c12 ZINC000299828692 KK Annotated Mild COc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000299828698 KK Annotated Mild COc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC ZINC000299828699 KK Annotated Mild COc1ccc(/C=C/C(=O)O[C@@H]2c3c(cc(OC)c4c(=O)c5cc6ccccc6nc5n(C)c34)OC(C)(C)[C@@H]2OC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000299828712 KK Annotated Bother COc1ccc(/C=C2\CN(C(=O)c3cc(/C=C/[C@@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000299828713 KK Annotated Mild COc1ccc(/C=C2\CN(C(=O)c3cc(/C=C/[C@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000299828714 KK Annotated Mild Cc1c(C(=O)c2cc(C#N)c(=N)n(-c3ccccc3)n2)sc2sc(C(=O)c3cc(C#N)c(=N)n(-c4ccccc4)n3)c(-c3ccccc3)c12 ZINC000299828726 KK Annotated Mild CCCN(CCC)Cc1c(O)c(OC)cc2c1oc(=O)c1c2c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)c(CN(C)C)c3ccn21 ZINC000299828763 KK Annotated Clean COc1cc2c(cc1O)oc(=O)c1c2c(-c2cc(CN(C)C)c(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn21 ZINC000299828820 KK Annotated Clean CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc12 ZINC000299828821 KK Annotated Anodyne Clc1cc2nc(Cc3ccc(Br)cc3)n(C[C@@H]3CCCN4CCCC[C@H]34)c2cc1Cl ZINC000299828827 KK Annotated Anodyne Cc1ccc(NC(=O)Nc2ccc(-c3nc(NCCCN(C)C)c4sc(Cl)c(Cl)c4n3)cc2)cc1 ZINC000299828851 KK Annotated Anodyne O=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000299828967 KK Annotated Reactive COc1cc(-c2c3c4cc(OC)c(O)c(CN5CCCCC5)c4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O ZINC000299828990 KK Annotated Clean C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)[C@H](C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299829032 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c5c(c(O)c4c3C2=O)CN(Cc2cn(CN3C(=O)c4ccccc4C3=O)nn2)C(=N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299829053 KK Annotated Clean CN(C(=O)CN(CC(=O)NCCN1CCCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299829067 KK Annotated Anodyne N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(N)=O ZINC000299829099 KK Annotated Reactive COc1ccc([C@@H]2SCC(=O)N2n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)n[nH]c2=S)cc1 ZINC000299829109 KK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)n[nH]c2=S)cc1 ZINC000299829114 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299829119 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299829127 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299829135 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)NC(C)(C)C)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299829141 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299829174 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 ZINC000299829191 KK Annotated Reactive N=c1oc2ccc(Cl)cc2cc1-n1cc(CN(C2=CC(=O)c3ccccc3C2=O)c2ccc(F)cc2)nn1 ZINC000299829230 KK Annotated Mild COc1cc(C#CC(=O)OCCCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC ZINC000299829234 KK Annotated Mild CCOC(=O)c1cncc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 ZINC000299829241 KK Annotated Anodyne CCOC(=O)c1cncc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 ZINC000299829244 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)OCCO[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299829246 KK Annotated Anodyne COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn(CN3CCCCC3)c2=S)cc1 ZINC000299829274 KK Annotated Mild COc1ccc([C@H]2SCC(=O)N2n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)n[nH]c2=S)cc1OC ZINC000299829294 KK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)n[nH]c2=S)cc1OC ZINC000299829298 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(C)(C)O2 ZINC000299829369 KK Annotated Bother COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O2 ZINC000299829441 KK Annotated Bother CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@@H]2O)C1(C)C ZINC000299829449 KK Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@]3(C)CO)O[C@H]2O)C1(C)C ZINC000299829450 KK Annotated Anodyne COc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000299829469 KK Annotated Mild COc1cc(/C=C2\CN(C(=O)c3cc(/C=C/[C@@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000299829475 KK Annotated Mild Cc1c(-c2ccc(C(=O)O)c(O)n2)sc2sc(-c3ccc(C(=O)O)c(O)n3)c(-c3ccccc3)c12 ZINC000299829476 KK Annotated Anodyne CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2C/C(=C\c3ccc(Cl)cc3)C(=O)/C(=C/c3ccc(Cl)cc3)C2)no1 ZINC000299829483 KK Annotated Mild CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2C/C(=C\c3ccc(Cl)cc3)C(=O)/C(=C/c3ccc(Cl)cc3)C2)no1 ZINC000299829492 KK Annotated Mild CCOC(=O)c1cc(-c2c3c(c(OC)c4c2OCO4)[C@H]([C@H]2OC(=O)c4c2ccc(OC)c4OC)N(C)CC3)ccc1Cl ZINC000299829523 KK Annotated Anodyne CC(C)(CCC[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](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C)OC(=O)CCl ZINC000299829555 KK Annotated Reactive FC(F)(F)c1ccc2c(c1)nc(Cc1ccc(Br)cc1)n2C[C@@H]1CCCN2CCCC[C@H]12 ZINC000299829582 KK Annotated Anodyne COc1ccc2nccc(C(=O)OCCCCCN(C)CCCCCOC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000299829606 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCC(=O)OCc1ccc(Cl)cc1 ZINC000299829633 KK Annotated Anodyne Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299829708 KK Annotated Bother CCN(CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299829710 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299829774 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299829779 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299829784 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299829786 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC[C@@H](C)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299829790 KK Annotated Anodyne O=C(Cn1cc(CO[C@@H](Cc2cn(CC(=O)c3ccc(S(=O)(=O)c4ccccc4)cc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299829793 KK Annotated Anodyne O=C(Cn1cc(CO[C@H](Cc2cn(CC(=O)c3ccc(S(=O)(=O)c4ccccc4)cc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299829797 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(cc2)Oc2cc(nc(-c3ccccc3)n2)/C=C/CCCS(=O)(=O)NC1=O ZINC000299829799 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)/C(=N\OC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299829872 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299829901 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299829907 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299829910 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccc(C(C)(C)C)cc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299829915 KK Annotated Anodyne S=c1n(CN2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 ZINC000299829958 KK Annotated Mild O=C(Cn1c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccc(Br)cc1)Nc1ccccn1 ZINC000299829990 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299830018 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299830021 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299830024 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299830027 KK Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCCCn5ccnc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299830049 KK Annotated Clean CCCCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CSCN12 ZINC000299830089 KK Annotated Mild CCCCN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CSCN12 ZINC000299830091 KK Annotated Mild CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)NCCc3c[nH]cn3)c1C)/C=c1\[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCc1c[nH]cn1)/C=C1\N=C(C2)C(C)=C1CC ZINC000299830093 KK Annotated Anodyne CCOc1nc(-c2sc3sc(-c4ccc(C#N)c(OCC)n4)c(-c4ccccc4)c3c2C)ccc1C#N ZINC000299830122 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(C)(C)O2 ZINC000299830131 KK Annotated Bother CCOC(=O)c1c(Cc2ccccc2)oc2cc(OC)c(OCc3nc4ccc(OS(=O)(=O)O)cc4s3)cc12 ZINC000299830163 KK Annotated Anodyne CCN(CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299830237 KK Annotated Anodyne N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CSCN2[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299830240 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CSCN2[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299830242 KK Annotated Mild C=Cc1ccc(-c2c3c(c(OC)c4c2OCO4)[C@H]([C@H]2OC(=O)c4c2ccc(OC)c4OC)N(C)CC3)cc1 ZINC000299830246 KK Annotated Anodyne COc1ccccc1/C=C1\CN(C(=O)c2cc(/C=C/[C@@H]3C(C)=CCCC3(C)C)on2)C/C(=C\c2ccccc2OC)C1=O ZINC000299830254 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)c2cc(/C=C/[C@H]3C(C)=CCCC3(C)C)on2)C/C(=C\c2ccccc2OC)C1=O ZINC000299830256 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4nc1n3C)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(C)(C)O2 ZINC000299830261 KK Annotated Bother CN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@H]1CSCN12 ZINC000299830281 KK Annotated Mild CN1C(=O)[C@]2(c3ccccc31)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)[C@@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@@H]1CSCN12 ZINC000299830284 KK Annotated Mild Cc1ccc2c(CC(=O)O)cn(-c3ccc(C(=O)NCCc4ccccc4)cc3CSC(C)(C)C)c2n1 ZINC000299830342 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCOC(=O)C(C)(C)C ZINC000299830368 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1)c1ccccc1 ZINC000299830377 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)S1)c1ccccc1 ZINC000299830381 KK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1OC ZINC000299830421 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1OC ZINC000299830425 KK Annotated Reactive CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)N[C@@H](CCC(=O)O)C(N)=O ZINC000299830558 KK Annotated Anodyne Cc1cc(Br)c(Nc2nc(Nc3ccc(C#N)cc3)nc(N(C)C)n2)c(Br)c1 ZINC000299830581 KK Annotated Mild COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn3c(=O)c4ccccc4nc23)cc1OC ZINC000299830677 KK Annotated Mild S=c1n(CN2CCOCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1 ZINC000299830739 KK Annotated Mild O=C(c1ccc(C(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)s1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000299830757 KK Annotated Anodyne COc1ccc(/C=C2\CN(C(=O)c3cc(/C=C/[C@@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000299830922 KK Annotated Mild COc1ccc(/C=C2\CN(C(=O)c3cc(/C=C/[C@H]4C(C)=CCCC4(C)C)on3)C/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC ZINC000299830923 KK Annotated Mild Cc1c(C(/C=C/N(C)C)=C(C#N)C#N)sc2sc(C(/C=C/N(C)C)=C(C#N)C#N)c(-c3ccccc3)c12 ZINC000299830941 KK Annotated Reactive CC1=CCCC(C)(C)[C@H]1/C=C/c1cc(C(=O)N2C/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2)no1 ZINC000299830953 KK Annotated Mild CC1=CCCC(C)(C)[C@@H]1/C=C/c1cc(C(=O)N2C/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2)no1 ZINC000299830955 KK Annotated Mild CCOC(/C=C/C(=O)c1sc2sc(C(=O)/C=C/C(OCC)(OCC)OCC)c(-c3ccccc3)c2c1C)(OCC)OCC ZINC000299830960 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@H]2CSCN2[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299830968 KK Annotated Mild N#C[C@]1(C(=O)c2c[nH]c3ccccc23)[C@@H]2CSCN2[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000299830969 KK Annotated Mild CC(C)(O)CCC[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](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C ZINC000299830975 KK Annotated Reactive CCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCC)[C@@H](OC)O[C@H](CN)[C@H]1OCCCCCCCCCCCCCC ZINC000299831008 KK Annotated Mild CC[C@@H]1C[N@@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(C)C[C@H]7CC)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299831077 KK Annotated Bother CC[C@@H]1C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(C)C[C@H]7CC)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299831086 KK Annotated Bother CC[C@@H]1C[N@+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(C)C[C@H]7CC)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299831096 KK Annotated Bother O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000299831101 KK Annotated Clean O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccc(Cl)cc2)SC(=S)N1Cc1ccco1 ZINC000299831103 KK Annotated Clean CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccc(N(C)C)cc3)SC2=S)c1 ZINC000299831109 KK Annotated Clean CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccc(N(C)C)cc3)SC2=S)c1 ZINC000299831113 KK Annotated Clean C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)cc1 ZINC000299831132 KK Annotated Mild N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)c1c[nH]c2ccccc12 ZINC000299831156 KK Annotated Reactive CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3cc(-c4ccc(C(F)(F)F)cc4)c(Cl)cc3n2)c1 ZINC000299831251 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299831279 KK Annotated Anodyne CO[C@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299831288 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299831293 KK Annotated Anodyne COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC ZINC000299831316 KK Annotated Reactive COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC ZINC000299831319 KK Annotated Reactive COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1 ZINC000299831345 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1 ZINC000299831350 KK Annotated Reactive CCN(CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299831352 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OCCCC(=O)O)[C@H](C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299831391 KK Annotated Mild O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)s1 ZINC000299831399 KK Annotated Bother CCCCCCCCCCCCCCCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCCCCCCCCCCCCCCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000299831430 KK Annotated Mild O=C1CS[C@@H](c2cccs2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299831446 KK Annotated Anodyne O=C1CS[C@H](c2cccs2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299831448 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)cc2)nc2ccsc12 ZINC000299831462 KK Annotated Reactive COc1ccc(-c2c(-c3ccc(C)cc3)n3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1 ZINC000299831494 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](C[C@H](O)C(C)(C)OC)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000299831578 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](C[C@H](O)C(C)(C)OC)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000299831587 KK Annotated Mild CC[C@H](C)c1cc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831589 KK Annotated Mild O=c1c2ccccc2nc2n(/N=C/c3ccco3)c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn12 ZINC000299831592 KK Annotated Mild COCc1c(COC)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(COC)c(COC)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1 ZINC000299831593 KK Annotated Reactive CC[C@H](C)c1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831595 KK Annotated Mild CC[C@@H](C)c1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831602 KK Annotated Mild CC[C@@H](C)c1cc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299831609 KK Annotated Mild C=C(C)[C@H](O)C[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000299831646 KK Annotated Mild C=C(C)[C@@H](O)C[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000299831650 KK Annotated Mild COCc1c(OC(C)=O)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(COC)c(OC(C)=O)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1 ZINC000299831729 KK Annotated Reactive C=C(C)[C@@H](O)C[C@H](C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O)C(=C)C ZINC000299831744 KK Annotated Mild c1ccc(-n2nnnc2SCCOc2ccc3c(c2)CN2CN3Cc3cc(OCCSc4nnnn4-c4ccccc4)ccc32)cc1 ZINC000299831745 KK Annotated Clean C=C(C)[C@H](C[C@@H](O)C(=C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O ZINC000299831748 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299831789 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299831790 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299831791 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299831792 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299831810 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299831811 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299831814 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299831815 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCCCCCCc1cn(CCCCC[C@@H]2CC=CC(=O)O2)nn1 ZINC000299831827 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OCCCCCCCCCCc1cn(CCCCC[C@H]2CC=CC(=O)O2)nn1 ZINC000299831828 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299831846 KK Annotated Mild CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)N(C)CCO ZINC000299831946 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)Nc1nc(N)nc2c1ncn2[C@H]1CO[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OCC)c2ccccc2)O1 ZINC000299831954 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)Nc1nc(N)nc2c1ncn2[C@H]1CO[C@@H](CO[P@@](=O)(N[C@@H](C)C(=O)OCC)c2ccccc2)O1 ZINC000299831956 KK Annotated Mild CCN(CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299831987 KK Annotated Anodyne COc1ccc(O[C@@H]([C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N=[N+]=[N-])[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299831990 KK Annotated Clean COc1ccc(O[C@H](c2cnc(N(C)C)nc2)[C@H](Oc2ccc(OC)cc2)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N=[N+]=[N-])cc1 ZINC000299831993 KK Annotated Clean CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299832009 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCCN(C)C ZINC000299832022 KK Annotated Anodyne CCc1ccc([C@H]2CN(C)[C@]3(C(=O)Nc4ccc(Br)cc43)[C@]23NC(=S)N(c2ccc(F)c(Cl)c2)C3=O)cc1 ZINC000299832033 KK Annotated Anodyne CCc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(Br)cc43)[C@]23NC(=S)N(c2ccc(F)c(Cl)c2)C3=O)cc1 ZINC000299832035 KK Annotated Anodyne S=c1n(CN2CCOCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccncc1 ZINC000299832064 KK Annotated Mild CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)C1Cc2ccccc2C1 ZINC000299832099 KK Annotated Anodyne CN(CCc1ccccc1)C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000299832110 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299832138 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299832139 KK Annotated Anodyne CCc1nnc(NC(=O)Cn2c(-c3ccc4ccccc4c3)cc(-c3ccccc3)c2-c2ccco2)s1 ZINC000299832198 KK Annotated Anodyne O=C1CS[C@H](c2ccncc2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299832205 KK Annotated Anodyne O=C1CS[C@@H](c2ccncc2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299832206 KK Annotated Anodyne COc1ccc(/C=c2\sc3nnc([C@]4(C)CCC[C@]5(C)c6ccc(C(C)C)cc6CC[C@H]54)n3c2=O)cc1 ZINC000299832225 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3cc(C)c(O)c(C)c3)cc2)nc2ccsc12 ZINC000299832273 KK Annotated Reactive C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)c1ccccc1C(=O)OCC(=C)[C@@H]1C[C@H](C(=C)C)CC[C@@]1(C)C(=C)C ZINC000299832350 KK Annotated Mild C=C[C@]1(C)CC[C@@H](C(=C)COC(=O)c2ccccc2C(=O)OCC(=C)[C@@H]2CC[C@@](C)(C=C)[C@H](C(=C)C)C2)C[C@H]1C(=C)C ZINC000299832478 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)c3c1oc1cc(O)c(O)cc1c3=O)C2=O ZINC000299832510 KK Annotated Mild COCC1=C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)C(COC)=C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C1=O ZINC000299832541 KK Annotated Reactive CCCc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(C(F)(F)F)c3)nc2)C(=O)NCCN(C)C)sc1C ZINC000299832568 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299832590 KK Annotated Anodyne COc1ccc(C2=NN(/C=C3\SC(=S)N(Cc4ccco4)C3=O)[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000299832592 KK Annotated Clean COc1ccc(C2=NN(/C=C3\SC(=S)N(Cc4ccco4)C3=O)[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000299832595 KK Annotated Clean CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)SC2=S)c1 ZINC000299832608 KK Annotated Clean CC(=O)Oc1cccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)SC2=S)c1 ZINC000299832610 KK Annotated Clean CC(C)=CCC[C@H](C(=O)OCc1ccccc1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)C/C(=C\C(=O)N2CCN(C)CC2)C(=O)C(C)(C)[C@@H]1CC3 ZINC000299832611 KK Annotated Mild COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C\[C@H]5C[C@]5(C(=O)NS(=O)(=O)C5CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000299832685 KK Annotated Anodyne CCN(CC)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299832733 KK Annotated Anodyne CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299832736 KK Annotated Anodyne O=C1CS[C@@H](c2ccco2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299832780 KK Annotated Anodyne O=C1CS[C@H](c2ccco2)N1n1c(Cc2ccccc2Nc2c(Cl)cccc2Cl)n[nH]c1=S ZINC000299832782 KK Annotated Anodyne S=c1n(CN2CCOCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1cccs1 ZINC000299832795 KK Annotated Mild S=c1n(CN2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccccc1 ZINC000299832796 KK Annotated Mild COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3ccc4ccccc4c3)c3c(c2OC)OCO3)CCN1C ZINC000299832814 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299832897 KK Annotated Mild CCCc1cn(CCN2Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C2=N4)O6)nn1 ZINC000299832900 KK Annotated Clean CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299832901 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000299832903 KK Annotated Mild C[C@@]1(c2ccc(Br)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299832934 KK Annotated Mild C[C@]1(c2ccc(Br)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299832938 KK Annotated Mild O=c1c2ccccc2nc2n(/N=C/c3ccncc3)c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn12 ZINC000299832973 KK Annotated Mild O=C(Cn1cc(CO[C@@H](Cc2cn(CC(=O)c3ccc(F)cc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(F)cc1 ZINC000299832994 KK Annotated Anodyne O=C(Cn1cc(CO[C@H](Cc2cn(CC(=O)c3ccc(F)cc3)nn2)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccc(F)cc1 ZINC000299832998 KK Annotated Anodyne COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n3nc(-c4ccccc4)c(CN4CCN(C)CC4)c3n2C)cc1 ZINC000299833015 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000299833045 KK Annotated Mild CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3cc(N4CCC(C(F)F)CC4)c(Cl)cc3n2)c1 ZINC000299833117 KK Annotated Anodyne COc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(Cc4nc(Cl)nc(Cl)n4)ccc3c2O)cc1 ZINC000299833120 KK Annotated Clean COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)OC ZINC000299833162 KK Annotated Reactive CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2c(c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)OCO2 ZINC000299833172 KK Annotated Reactive C[C@@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000299833199 KK Annotated Anodyne C[C@@H]1C/C=C\CCCCCCCCCOC(=O)N1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000299833200 KK Annotated Anodyne CC(C)(C(=O)NC(=O)C1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21 ZINC000299833208 KK Annotated Anodyne CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)nc2Oc2c(F)cccc21 ZINC000299833235 KK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc1OC ZINC000299833255 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc1OC ZINC000299833256 KK Annotated Reactive C[C@@H]1C[C@]2(C[C@@H](C)[C@@]3(CC[C@]4(C)[C@]3(C)CC[C@@]35O[C@]34[C@@H](OC(=O)Cc3ccccc3)C[C@H]3C(C)(C)C(=O)CC[C@@]35C)O2)OC1=O ZINC000299833305 KK Annotated Anodyne C[C@@H]1C[C@@]2(C[C@@H](C)[C@@]3(CC[C@]4(C)[C@]3(C)CC[C@@]35O[C@]34[C@@H](OC(=O)Cc3ccccc3)C[C@H]3C(C)(C)C(=O)CC[C@@]35C)O2)OC1=O ZINC000299833309 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2ccsc12 ZINC000299833321 KK Annotated Anodyne COc1c(C)c(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)[C@H]1O)O2 ZINC000299833333 KK Annotated Mild COc1c(C)c(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c2c1[C@@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)[C@@H]1O)O2 ZINC000299833336 KK Annotated Mild COc1ccc(O[C@H](c2cnc(N(C)C)nc2)[C@H](Oc2ccc(OC)cc2)[C@H](COCc2ccccc2)N=[N+]=[N-])cc1 ZINC000299833353 KK Annotated Clean COc1ccc(O[C@@H]([C@H](COCc2ccccc2)N=[N+]=[N-])[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299833354 KK Annotated Clean COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299833357 KK Annotated Reactive COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299833360 KK Annotated Reactive COc1ccc(O[C@H](c2cnc(-c3ccc(Cl)cc3)nc2)[C@@H](Oc2ccc(OC)cc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)cc1 ZINC000299833384 KK Annotated Mild C=CCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)c(C=C)c1 ZINC000299833390 KK Annotated Mild COc1c(OC(C)(C)C)cc(CN2CC(=O)N(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2=O)cc1OC(C)(C)C ZINC000299833396 KK Annotated Anodyne CCNC(=O)N[C@@H](CCN1CCC(c2c(CC)[nH]c3cc(F)ccc23)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000299833407 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299833462 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299833463 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299833464 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299833465 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(I)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 ZINC000299833604 KK Annotated Reactive CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4csc(Cc5ccc6c(c5)OCO6)n4)cc3O)sc2c1 ZINC000299833605 KK Annotated Reactive C[C@@]1(c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299833622 KK Annotated Mild C[C@]1(c2ccc(-c3ccc(/C(N)=N\O)cc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299833625 KK Annotated Mild CCc1nnc(NC(=O)Cn2c(-c3ccccc3)cc(-c3cccc4ccccc34)c2-c2ccco2)s1 ZINC000299833631 KK Annotated Anodyne COc1cc(C(=O)Nc2nnc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000299833646 KK Annotated Bother CC[C@@H](C)c1cc([C@@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299833650 KK Annotated Mild CC[C@@H](C)c1cc([C@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299833653 KK Annotated Mild CC[C@H](C)c1cc([C@@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299833657 KK Annotated Mild CC[C@H](C)c1cc([C@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299833660 KK Annotated Mild S=c1n(CN2CCCCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccncc1 ZINC000299833688 KK Annotated Mild COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6Cc7cnn(-c8ccccc8)c7[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000299833690 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Br)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 ZINC000299833736 KK Annotated Reactive COC(=O)c1c(Sc2c(O)cc3oc4cc(C)cc(O)c4c(=O)c3c2C(=O)OC)c(O)cc2oc3cc(C)cc(O)c3c(=O)c12 ZINC000299833771 KK Annotated Bother CCCc1cn(CCNCc2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N3)O5)nn1 ZINC000299833775 KK Annotated Clean Cc1ccc(-c2ccc([C@]3(C)CC(S(=O)(=O)c4ccc(F)cc4)=C(c4ccc(/C(N)=N\O)cc4)O3)cc2)cc1 ZINC000299833790 KK Annotated Mild Cc1ccc(-c2ccc([C@@]3(C)CC(S(=O)(=O)c4ccc(F)cc4)=C(c4ccc(/C(N)=N\O)cc4)O3)cc2)cc1 ZINC000299833801 KK Annotated Mild C[C@@](Cc1cn(CC(=O)c2ccccc2)nn1)(OCc1cn(CC(=O)c2ccccc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299833807 KK Annotated Anodyne C[C@](Cc1cn(CC(=O)c2ccccc2)nn1)(OCc1cn(CC(=O)c2ccccc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299833810 KK Annotated Anodyne CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@@H]1CCc2ccccc2C1 ZINC000299833834 KK Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCNC(C)(C)C)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000299833891 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCCCCC/C=C\CCCC/C=C\CCCC/C=C\C/C=C\CCCCC[C@@H](O)/C=C/[C@H](O)C#C ZINC000299833895 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCCC/C=C\CCCC/C=C\CCCC/C=C\C/C=C\CCCCC[C@H](O)/C=C/[C@H](O)C#C ZINC000299833897 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\CCCC/C=C\CCCC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000299833904 KK Annotated Mild COc1cc(/C=C/c2nnc(NC(=O)c3ccccc3Br)s2)c(Br)c(OC)c1OC ZINC000299833961 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000299833971 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C ZINC000299833974 KK Annotated Mild COc1cc(CNc2cc(OC)c(Oc3cccc(C(F)(F)F)c3)c3c(C)ccnc23)cc(OC)c1O ZINC000299833989 KK Annotated Anodyne C[C@H](Nc1c(-c2c(F)cc(OCCCNCC(F)(F)F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F ZINC000299834001 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(OC(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000299834052 KK Annotated Mild O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1-c1ccc(C2=NN(c3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000299834107 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1-c1ccc(C2=NN(c3ccccc3)[C@H](Cc3ccccc3)C2)cc1 ZINC000299834116 KK Annotated Anodyne COc1cc2nc(Sc3sc(N)nc3C)n(-c3ccc(Oc4ccccc4)cc3)c(=O)c2cc1OC ZINC000299834142 KK Annotated Anodyne C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@H]1NC(=O)[C@H](C(C)(C)C)NC(=O)OCC/C=C/c2cc(nc(-c3ccccc3)n2)Oc2ccc1cc2 ZINC000299834217 KK Annotated Mild CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)N[C@@H](CC(=O)O)C(N)=O ZINC000299834270 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(C)c(=O)n13 ZINC000299834367 KK Annotated Anodyne CN(C(=O)CN(CC(=O)NCCN1CCCC1)c1cc(Cl)ccc1Oc1ccc(Cl)cc1)[C@H]1CCc2ccccc2C1 ZINC000299834372 KK Annotated Anodyne O=c1c2ccccc2nc2n(/N=C/c3cccs3)c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn12 ZINC000299834417 KK Annotated Mild CCOC(=O)c1ccnc([C@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 ZINC000299834421 KK Annotated Anodyne CCOC(=O)c1ccnc([C@@]2(c3cnn(C)c3)N[C@@H](c3nc(-c4ccc(F)cc4)c[nH]3)Cc3c2[nH]c2ccccc32)c1 ZINC000299834423 KK Annotated Anodyne CCCCCc1cn(CCCN2Cc3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C2=N4)O6)nn1 ZINC000299834478 KK Annotated Clean COc1ccc(/C=N/n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nn(CN3CCOCC3)c2=S)cc1 ZINC000299834488 KK Annotated Mild O=C(c1ccccc1)n1c(=O)c2ccccc2n(Cc2cn(C[C@H](OCc3ccccc3)[C@@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)c1=O ZINC000299834597 KK Annotated Anodyne O=C(c1ccccc1)n1c(=O)c2ccccc2n(Cc2cn(C[C@H](OCc3ccccc3)[C@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)c1=O ZINC000299834599 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)NCCc3ccc(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](O)[C@H]4O)cc3-c3cccc(C(F)(F)F)c3)ccc2OC)c1 ZINC000299834604 KK Annotated Anodyne CN(C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299834612 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299834639 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@@H](OC)[C@H](O[C@@H]4C[C@@H](OC)[C@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299834645 KK Annotated Anodyne COc1ccc(O[C@@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Oc2ccc(OC)cc2)c2cnc(N(C)C)nc2)cc1 ZINC000299834667 KK Annotated Anodyne COc1ccc(O[C@H](c2cnc(N(C)C)nc2)[C@H](Oc2ccc(OC)cc2)[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000299834672 KK Annotated Anodyne C=C[C@]1(C)CC[C@@H](C(=C)C)C[C@H]1C(=C)COC(=O)CCC(=O)OCC(=C)[C@@H]1C[C@H](C(=C)C)CC[C@@]1(C)C(=C)C ZINC000299834723 KK Annotated Mild S=c1n(CN2CCOCC2)nc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1/N=C/c1ccco1 ZINC000299834726 KK Annotated Mild CN(C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299834830 KK Annotated Anodyne C[C@@](Cc1cn(CC(=O)c2ccc(F)cc2)nn1)(OCc1cn(CC(=O)c2ccc(F)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299834890 KK Annotated Anodyne C[C@](Cc1cn(CC(=O)c2ccc(F)cc2)nn1)(OCc1cn(CC(=O)c2ccc(F)cc2)nn1)c1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC000299834895 KK Annotated Anodyne COc1ccc(O[C@H](c2cnc3cc(C)nn3c2)[C@@H](Oc2ccc(OC)cc2)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)cc1 ZINC000299834898 KK Annotated Mild CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2c(c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)OC(OC(C)=O)O2 ZINC000299834901 KK Annotated Reactive Nc1nc(-c2ccc(CCN3CCN(CCCN4CCN(C(c5ccccc5)c5ccccc5)CC4)CC3)cc2)cs1 ZINC000299834990 KK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1 ZINC000299835048 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1 ZINC000299835049 KK Annotated Reactive CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000299835089 KK Annotated Mild O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c4ccccc4cc4ccccc14)[C@@H]23)c1ccc(Cl)cc1 ZINC000299835104 KK Annotated Bother COc1ccccc1/C=C/[C@H]1OC[C@H](C/C=C/c2c(OC)cccc2OC)[C@@H](c2c(OC)cccc2OC)O1 ZINC000299835121 KK Annotated Anodyne COc1ccccc1/C=C/[C@@H]1OC[C@@H](C/C=C/c2c(OC)cccc2OC)[C@H](c2c(OC)cccc2OC)O1 ZINC000299835122 KK Annotated Anodyne COc1ccc(-c2cc3cc([C@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299835126 KK Annotated Mild COc1ccc(-c2cc3cc([C@@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299835129 KK Annotated Mild FC(F)(F)c1cc(-n2cc(CN3CCN(C4C5CC6CC(C5)CC4C6)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299835176 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4cnc([C@@H]5[C@@H]6CC[C@@H](C6)N5C(=O)[C@H](NC(=O)OC)C(C)C)[nH]4)ccc2-3)[nH]1)C(C)C ZINC000299835194 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN[C@H](c1ccc(C(F)(F)F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000299835223 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CN[C@@H](c1ccc(C(F)(F)F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000299835224 KK Annotated Anodyne N/C(=N/O)c1ccc(C2=C(S(=O)(=O)c3ccc(F)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000299835237 KK Annotated Mild CC(C)(C(=O)NC(=O)NC1CCC1)[C@@H]1c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nc2Oc2c(F)cccc21 ZINC000299835272 KK Annotated Anodyne C#CC(=O)/C=C/CCCCCCCCC/C=C\CCCC/C=C\CCCC/C=C\CCCCCCCCCCCCC/C=C/C(=O)C#C ZINC000299835274 KK Annotated Mild O=C(CN1C(=O)/C(=C/c2cccc(O)c2O)SC1=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000299835319 KK Annotated Clean CCN(CC)CCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299835486 KK Annotated Anodyne COc1ccc(O[C@@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Oc2ccc(OC)cc2)c2cnc(-c3ccc(Cl)cc3)nc2)cc1 ZINC000299835487 KK Annotated Anodyne CC(C)c1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299835515 KK Annotated Clean CC(C)c1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1 ZINC000299835517 KK Annotated Clean CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000299835556 KK Annotated Mild COc1ccc(O[C@@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Oc2ccc(OC)cc2)c2cnc3cc(C)nn3c2)cc1 ZINC000299835558 KK Annotated Anodyne CN(C)CCCNc1nc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299835592 KK Annotated Anodyne CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[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 ZINC000299835645 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4)c1ccccc1 ZINC000299835695 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4)c1ccccc1 ZINC000299835699 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4)c1ccccc1 ZINC000299835701 KK Annotated Anodyne CCN(C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4)c1ccccc1 ZINC000299835703 KK Annotated Anodyne CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@@H]1C[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@@H](O)C[N+](CC)(CC)CC)[C@@H]4CC[C@@]13C=C2C(C)C ZINC000299835706 KK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@H]1C[C@H]2C[C@H]3[C@@]1(C=C2C(C)C)CC[C@H]1[C@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)CC)CCC[C@@]13C ZINC000299835708 KK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@@H]1C[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)CC)[C@@H]4CC[C@@]13C=C2C(C)C ZINC000299835711 KK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@H]1C[C@H]2C[C@H]3[C@@]1(C=C2C(C)C)CC[C@H]1[C@](C)(C(=O)OC[C@@H](O)C[N+](CC)(CC)CC)CCC[C@@]13C ZINC000299835714 KK Annotated Bother N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000299835726 KK Annotated Reactive COc1cc(/C=C/c2nnc(NC(=O)c3ccc(Cl)cc3)s2)c(Br)c(OC)c1OC ZINC000299835934 KK Annotated Anodyne COc1ccc(O[C@H](c2cnn(C)c2)[C@H](Oc2ccc(OC)cc2)[C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000299835980 KK Annotated Anodyne COc1ccc(O[C@@H]([C@H](O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Oc2ccc(OC)cc2)c2cnn(C)c2)cc1 ZINC000299835981 KK Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(=O)c3ccc(Cl)cc3)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000299835997 KK Annotated Anodyne O=C1N=C(N2CCN([C@H](c3ccccc3Cl)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299836012 KK Annotated Clean O=C1N=C(N2CCN([C@@H](c3ccccc3Cl)c3nnnn3C3CCCCC3)CC2)S/C1=C\c1ccccc1 ZINC000299836013 KK Annotated Clean CN(C)CCNc1nc(-c2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc2c(Cl)c(Cl)sc12 ZINC000299836020 KK Annotated Anodyne COc1cc(/C=C/c2nnc(NC(=O)c3ccc(Br)cc3)s2)c(Br)c(OC)c1OC ZINC000299836121 KK Annotated Anodyne FC(F)(F)c1cc(-n2cc(CN3CCN(Cc4c[nH]c5ccccc45)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299836133 KK Annotated Anodyne CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@@H](c2ccc(Cl)cc2)CN(C)[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000299836157 KK Annotated Anodyne CCOc1ccc(N2C(=O)[C@@]3(NC2=S)[C@H](c2ccc(Cl)cc2)CN(C)[C@]32C(=O)Nc3ccc(Br)cc32)cc1 ZINC000299836160 KK Annotated Anodyne COc1ccc(-c2cc3cc([C@@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836232 KK Annotated Mild COc1ccc(-c2cc3cc([C@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836234 KK Annotated Mild C[C@@H]1CCCCN1CCCOC1=C[C@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@H]2C=C1 ZINC000299836243 KK Annotated Anodyne C[C@@H]1CCCCN1CCCOC1=C[C@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@@H]2C=C1 ZINC000299836245 KK Annotated Anodyne C[C@@H]1CCCCN1CCCOC1=C[C@@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@@H]2C=C1 ZINC000299836247 KK Annotated Anodyne C[C@@H]1CCCCN1CCCOC1=C[C@@H]2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)[C@H]2C=C1 ZINC000299836249 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000299836295 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000299836296 KK Annotated Mild Fc1ccc(C(=CCC[C@@H]2[C@H]3CCCN4CCC[C@H](CN2Cc2c5ccccc5cc5ccccc25)[C@@H]34)c2ccc(F)cc2)cc1 ZINC000299836303 KK Annotated Bother C=C(C)[C@@H]1C[C@H](OC(C)=O)[C@]23OC[C@]4(CC(=O)[C@@H]2[C@@]1(C)CCC(=O)OC)[C@@]3(C)CC[C@@]41O[C@@]2(CC)CC[C@]1(C)O2 ZINC000299836364 KK Annotated Mild C=C(C)[C@@H]1C[C@H](OC(C)=O)C2=C(C(=O)C[C@]34CO[C@@]5(CC)CC[C@](C)(O5)[C@H]3CC[C@@]24C)[C@@]1(C)CCC(=O)OC ZINC000299836413 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(Cl)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299836423 KK Annotated Mild FC(F)(F)c1cc(-n2cc(CN(C3CCCCC3)C3CCCCC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299836452 KK Annotated Anodyne C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC=C)C(C)(C)C)c1ccc(Oc2cc(C=C)nc(-c3ccccc3)n2)cc1 ZINC000299836463 KK Annotated Mild COc1c(C)c(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)C[C@]13CO3)O2 ZINC000299836495 KK Annotated Mild COc1c(C)c(O)c(C(=O)/C=C/c2ccccc2)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)C[C@@]13CO3)O2 ZINC000299836497 KK Annotated Mild CC(C)[C@H](NC(=O)C[C@H](NC(=O)CCCCCCCCCCCCCCCOc1ccc(CN(Cc2ccccc2)C(=O)c2cnc(N)o2)cc1)c1ccccc1)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C ZINC000299836500 KK Annotated Anodyne CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299836516 KK Annotated Reactive CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299836520 KK Annotated Reactive CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299836522 KK Annotated Reactive CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299836526 KK Annotated Reactive CCCN(C)C(=O)COC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)cc1OCC ZINC000299836529 KK Annotated Anodyne CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(=O)c3ccc(C(C)(C)C)cc3)c(-c3cccc(C(F)(F)F)c3)c2)OC1(C)C ZINC000299836537 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1c(nc3ccccc3c1O[C@@H]1C[C@@H]3CC[C@H](C1)N3CCOC)O2)C(=O)NS(=O)(=O)C1(C)CC1 ZINC000299836548 KK Annotated Mild O=c1ccccn1Cc1cn(C[C@H](OCc2ccccc2)[C@@H](O)P(=O)(OCc2ccccc2)OCc2ccccc2)nn1 ZINC000299836565 KK Annotated Anodyne O=c1ccccn1Cc1cn(C[C@H](OCc2ccccc2)[C@H](O)P(=O)(OCc2ccccc2)OCc2ccccc2)nn1 ZINC000299836572 KK Annotated Anodyne CCCCCCO[C@@H]1[C@@H](CSCCN)O[C@H](O[C@H]2O[C@H](CSCCN)[C@@H](OCCCCCC)[C@H](OCCCCCC)[C@H]2OCCCCCC)[C@@H](OCCCCCC)[C@H]1OCCCCCC ZINC000299836617 KK Annotated Anodyne C=CC/C=C\C=C/[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)OCCC[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O ZINC000299836633 KK Annotated Mild CC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc(O)c3cnc(-c4ccc(C(F)(F)F)cc4)cc3n2)c1 ZINC000299836635 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21)c1ccc([N+](=O)[O-])cc1O ZINC000299836665 KK Annotated Clean CCOP(=O)(OCC)[C@H](NC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21)c1ccc([N+](=O)[O-])cc1O ZINC000299836667 KK Annotated Clean CC(C)=CCOc1cc(O)c(C(=O)C(C)C)c(O)c1CC1=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C1=O ZINC000299836668 KK Annotated Mild COc1ccc(-c2cc3cc([C@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836681 KK Annotated Mild COc1ccc(-c2cc3cc([C@@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCCC6)cc(C(C)C)c3oc2=O)cc1 ZINC000299836683 KK Annotated Mild CCCCCCCn1c(=O)c2c3c(cnc2n(CCCCCCC)c1=O)C(=O)C1=C(C3=O)C2CCC1CC2 ZINC000299836715 KK Annotated Mild COc1ccc(C(=O)O[C@H]2[C@@H](C)C[C@]3(O)C(=O)/C(C)=C/[C@@H]4[C@H](CC[C@]5(CO5)[C@H](OC(=O)c5ccc(OC)cc5)[C@@H]23)C4(C)C)cc1 ZINC000299836786 KK Annotated Mild CC(=O)Cc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(O)cc1[C@H]3[C@H]1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)CCc2cc(CC(C)=O)c(C(=O)O)c(O)c2-1 ZINC000299836792 KK Annotated Anodyne CCCCCCCn1c(=O)c2c3c(cnc2n(CCCCCCC)c1=O)C(=O)C1=C(C3=O)[C@H]2CC[C@H]1C2 ZINC000299836814 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(C)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299836900 KK Annotated Mild COc1ccc(-c2cc(-c3c(O)c(C)c(OC)c4c3OC3=Cc5c(c(C)nn5-c5ccccc5)[C@@H](O)[C@@]34C)n[nH]2)cc1 ZINC000299836911 KK Annotated Anodyne COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c12 ZINC000299836983 KK Annotated Anodyne COC(=O)[C@@H](CCSC)NC(=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](OC(=O)CCC(=O)O)CCC(=O)[C@H]13 ZINC000299837007 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=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](OC(=O)CCC(=O)O)CCC(=O)[C@H]13 ZINC000299837009 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3cccc(Cl)c3Cl)cc2)nc2ccsc12 ZINC000299837046 KK Annotated Reactive C[C@]1(c2ccc(-c3ccncc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299837087 KK Annotated Mild C[C@@]1(c2ccc(-c3ccncc3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299837088 KK Annotated Mild COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC(=O)Cc3cc4ccccc4[nH]3)c(OC(=O)Cc3cc4ccccc4[nH]3)c12 ZINC000299837100 KK Annotated Anodyne COC(=O)c1c(Sc2c(O)cc3oc4cc(C)cc(O)c4c(=O)c3c2C(=O)OC)c(O)cc(OC)c1C(=O)c1c(O)cc(C)cc1O ZINC000299837102 KK Annotated Bother N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000299837273 KK Annotated Reactive C[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OCC(=O)N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299837309 KK Annotated Anodyne CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3ccc(O)c(F)c3)cc2)nc2ccsc12 ZINC000299837331 KK Annotated Reactive 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]1c2[nH]c4ccccc4c2-c2c([nH]c4ccccc24)[C@H]13 ZINC000299837335 KK Annotated Anodyne CC1CCN(CCCOC2=C[C@@H]3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)[C@@H]3C=C2)CC1 ZINC000299837352 KK Annotated Anodyne CC1CCN(CCCOC2=C[C@@H]3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)[C@H]3C=C2)CC1 ZINC000299837354 KK Annotated Anodyne CC1CCN(CCCOC2=C[C@H]3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)[C@@H]3C=C2)CC1 ZINC000299837355 KK Annotated Anodyne CC1CCN(CCCOC2=C[C@H]3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)[C@H]3C=C2)CC1 ZINC000299837356 KK Annotated Anodyne C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2C(F)(F)F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299837423 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccccc2C(F)(F)F)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299837425 KK Annotated Mild COc1ccc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@@H](O)[C@@]23C)cc1OC ZINC000299837462 KK Annotated Mild FC(F)(F)c1cc(-n2cc(CN3CCN(Cc4ccccc4)CC3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299837507 KK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COC(=O)c5cccc(NC(=O)[C@@H]6C[C@H](SC7=C(C(=O)OCC(F)(F)F)N8C(=O)[C@H]([C@@H](C)O)[C@H]8[C@H]7C)CN6)c5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299837543 KK Annotated Anodyne CCCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)s1 ZINC000299837573 KK Annotated Mild CCCSc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)s1 ZINC000299837574 KK Annotated Mild CCCCCCCCOC(=O)C1=C(S[C@@H]2CN[C@H](C(=O)Nc3cccc(C(=O)OCCCCCCCC)c3)C2)[C@H](C)[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC000299837609 KK Annotated Mild CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCO[P@](=O)(O)OC(C)(C)C ZINC000299837662 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@@H](O)[C@@]23C)c(OC)c1 ZINC000299837675 KK Annotated Mild COc1ccc(OC)c(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@@H](O)[C@@]23C)c1 ZINC000299837687 KK Annotated Mild CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](OCC(=O)N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000299837694 KK Annotated Anodyne CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299837712 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(F)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299837737 KK Annotated Mild O=C(CN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000299837791 KK Annotated Clean Cc1ccc(S(=O)(=O)NCCNc2nc(Br)cn3cc(-c4ccc5ccccc5c4)nc23)cc1 ZINC000299837878 KK Annotated Anodyne CC[C@@H](C)c1cc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299837895 KK Annotated Mild CC[C@H](C)c1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299837897 KK Annotated Mild CC[C@@H](C)c1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299837900 KK Annotated Mild CC[C@H](C)c1cc([C@H]2C3=C(CC(C)(C)CC3=O)Oc3nc4c(c(N)c32)CCCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299837903 KK Annotated Mild CC(C)C(=O)NCc1ccc(Cl)c(-c2nc(O)c3ccc(N4CCC(C(F)(F)F)CC4)cc3n2)c1 ZINC000299837917 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCC(=O)N1CCOCC1 ZINC000299837927 KK Annotated Anodyne Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 ZINC000299837939 KK Annotated Reactive COc1cc(Oc2ccc([C@@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCCCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299837979 KK Annotated Anodyne COc1cc(Oc2ccc([C@H]3NC(=O)[C@H](NC(=O)OC(C)(C)C)CCCCCCCCCS(=O)(=O)NC(=O)c4ccccc4NC3=O)cc2)nc(-c2ccccc2)n1 ZINC000299837982 KK Annotated Anodyne COc1c(C)c(O)c(C(=O)/C=C/c2ccc(SC)cc2)c2c1[C@]1(C)C(=Cc3c(c(C)nn3-c3ccccc3)[C@H]1O)O2 ZINC000299838004 KK Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(OC(=O)c3ccccc3)C1=O)C2(C)C ZINC000299838014 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7c(C)ccc(C)c67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299838151 KK Annotated Mild C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)c2)n1 ZINC000299838218 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3C#N)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299838281 KK Annotated Mild C[C@]1(c2ccc(-c3ccccc3C#N)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299838282 KK Annotated Mild Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N/Nc2nc(-c3ccccc3Br)cs2)cc1 ZINC000299838307 KK Annotated Mild c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CC[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299838376 KK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CC[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299838377 KK Annotated Bother CCCCCCOC(=O)/C=C/c1ccc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)cc1OCC ZINC000299838391 KK Annotated Anodyne CC(=O)c1cn(Cc2cn(C[C@H](OCc3ccccc3)[C@@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)c2ccccc12 ZINC000299838520 KK Annotated Anodyne CC(=O)c1cn(Cc2cn(C[C@H](OCc3ccccc3)[C@H](O)P(=O)(OCc3ccccc3)OCc3ccccc3)nn2)c2ccccc12 ZINC000299838527 KK Annotated Anodyne CCc1c(C2CCN(CCCSc3ccc(F)cc3)CC2)c2ccc(F)cc2n1-c1ccc(-c2nnn[nH]2)cc1 ZINC000299838657 KK Annotated Anodyne CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299838672 KK Annotated Reactive CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299838675 KK Annotated Reactive CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299838678 KK Annotated Reactive CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 ZINC000299838682 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299838683 KK Annotated Anodyne COc1cc(/C=C/c2nnc(NC(=O)c3cc(OC)c(OC)c(OC)c3Br)s2)c(Br)c(OC)c1OC ZINC000299838701 KK Annotated Anodyne C[N+]12CCCCC1(CCCC/N=c1/cc3n(-c4ccccc4)c4ccccc4nc-3cc1Nc1ccccc1)CCCC2 ZINC000299838732 KK Annotated Bother C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(I)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299838773 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299838800 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299838803 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(I)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299838807 KK Annotated Anodyne CC(C)[C@@]12CC[C@]3(COC=O)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](OC=O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000299838811 KK Annotated Anodyne CC(C)[C@@]12CC[C@]3(COC=O)CC[C@]4(C)C(=C13)[C@@H](C[C@@H]1[C@@]3(C)CC[C@H](OC=O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000299838814 KK Annotated Anodyne C[C@@]1(c2ccc(-c3cccc(/C(N)=N\O)c3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299838817 KK Annotated Mild C[C@]1(c2ccc(-c3cccc(/C(N)=N\O)c3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299838820 KK Annotated Mild CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)OC[C@@H](O)CCl ZINC000299838886 KK Annotated Reactive CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@H](O)CCl ZINC000299838890 KK Annotated Reactive CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@@H](O)CCl ZINC000299838893 KK Annotated Reactive COc1ccc(-c2cc3cc([C@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299838895 KK Annotated Mild CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)OC[C@H](O)CCl ZINC000299838897 KK Annotated Reactive COc1ccc(-c2cc3cc([C@@H]4C5=C(CC(C)(C)CC5=O)Oc5nc6c(c(N)c54)CCC6)cc(C(C)C)c3oc2=O)cc1OC ZINC000299838901 KK Annotated Mild CCCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(=O)CCC)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OC(=O)CCC)[C@@H]12)C3(C)C ZINC000299838942 KK Annotated Mild CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc(OC)c1OCc1cn(CC(=O)NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000299838989 KK Annotated Mild COc1cc(-c2cc3cc([C@H]4C5=C(CCCC5=O)Oc5nc6c(c(N)c54)CCCC6)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299839034 KK Annotated Mild COc1cc(-c2cc3cc([C@@H]4C5=C(CCCC5=O)Oc5nc6c(c(N)c54)CCCC6)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299839036 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000299839056 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000299839057 KK Annotated Mild COc1cc(/C=C/c2nnc(NC(=O)c3cccc(Br)c3)s2)c(Br)c(OC)c1OC ZINC000299839071 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)O[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 ZINC000299839151 KK Annotated Mild Fc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)cc4)c-3c/c2=N/CCCCCCC23CCCCN2CCCC3)cc1 ZINC000299839181 KK Annotated Bother Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 ZINC000299839206 KK Annotated Reactive Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C)cc4)c-3c/c2=N/C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299839218 KK Annotated Bother CCCC[C@@H](CC)C(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OC(=O)[C@H](CC)CCCC)[C@@H]12)C3(C)C ZINC000299839245 KK Annotated Mild CCCC[C@H](CC)C(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OC(=O)[C@H](CC)CCCC)[C@@H]12)C3(C)C ZINC000299839250 KK Annotated Mild CCCC[C@H](CC)C(=O)O[C@H]1[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OC(=O)[C@@H](CC)CCCC)[C@@H]12)C3(C)C ZINC000299839254 KK Annotated Mild CCCC[C@H](CC)C(=O)O[C@@H]1[C@H]2[C@@H](OC(=O)[C@H](CC)CCCC)[C@@H](C)C[C@]2(O)C(=O)/C(C)=C/[C@@H]2[C@H](CC[C@]13CO3)C2(C)C ZINC000299839257 KK Annotated Mild COc1cccc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)C(=O)[C@@]23C)c1OC ZINC000299839289 KK Annotated Mild COc1ccc(Cc2nnc(NC(=O)/C(C#N)=C/c3cn(Cc4ccccc4)c4ccccc34)s2)cc1 ZINC000299839295 KK Annotated Reactive CC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc(O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3n2)c1 ZINC000299839297 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C ZINC000299839307 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299839319 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2cccc(C(F)(F)F)c2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299839321 KK Annotated Mild CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000299839322 KK Annotated Anodyne CN1C[C@H](c2ccc(Cl)cc2)[C@@]2(NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 ZINC000299839325 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3C[C@@H]4[C@H]5[C@@H]6Cc7c([nH]c8ccccc78)[C@H]5[C@@]3(CC[C@@H]12)C[C@@]4(C(C)C)O6 ZINC000299839367 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccco3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299839377 KK Annotated Mild C[C@@]1(c2ccc(-c3ccco3)cc2)CC(S(=O)(=O)c2ccc(F)cc2)=C(c2ccc(/C(N)=N\O)cc2)O1 ZINC000299839378 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[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)C3=C[C@H](O)[C@@]2(O)C1 ZINC000299839531 KK Annotated Anodyne COc1cccc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@@H](O)[C@@]23C)c1OC ZINC000299839556 KK Annotated Mild COc1cccc(/C=C/C(=O)c2c(O)c(C)c(OC)c3c2OC2=Cc4c(c(C)nn4-c4ccccc4)[C@H](O)[C@]23C)c1OC ZINC000299839559 KK Annotated Mild CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299839605 KK Annotated Anodyne CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@H]1[C@H](C(=O)OC[C@H](O)C[N+](CC)(CC)CC)[C@@]23C=C(C(C)C)[C@@H]1C[C@@H]2[C@@]1(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)CC)[C@@H]1CC3 ZINC000299839655 KK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@@H]1[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)CC)[C@@H]4CC[C@@]3(C=C2C(C)C)[C@@H]1C(=O)OC[C@@H](O)C[N+](CC)(CC)CC ZINC000299839656 KK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@H]1[C@H](C(=O)OC[C@@H](O)C[N+](CC)(CC)CC)[C@H]2C[C@H]3[C@@]1(C=C2C(C)C)CC[C@H]1[C@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)CC)CCC[C@@]13C ZINC000299839657 KK Annotated Bother CC[N+](CC)(CC)C[C@H](O)COC(=O)[C@@H]1[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)CC)[C@@H]4CC[C@@]3(C=C2C(C)C)[C@@H]1C(=O)OC[C@H](O)C[N+](CC)(CC)CC ZINC000299839658 KK Annotated Bother CC(C)c1cccc(Nc2cc(-c3ccc(C(=O)N4CCN(C(=O)c5ccccc5F)CC4)cc3)ncn2)c1 ZINC000299839664 KK Annotated Anodyne COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299839671 KK Annotated Reactive COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc(OC)c1OC ZINC000299839672 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Cl)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 ZINC000299839786 KK Annotated Reactive CC[C@@H](C)c1cc([C@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299839872 KK Annotated Mild CC[C@H](C)c1cc([C@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299839875 KK Annotated Mild CC[C@@H](C)c1cc([C@@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299839878 KK Annotated Mild CC[C@H](C)c1cc([C@@H]2C3=C(CCCC3=O)Oc3nc4c(c(N)c32)CCC4)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 ZINC000299839881 KK Annotated Mild COc1ccc([C@@]2(c3ccccc3)CC(S(=O)(=O)c3ccc(F)cc3)=C(c3ccc(/C(N)=N\O)cc3)O2)cc1 ZINC000299839886 KK Annotated Mild COc1ccc([C@]2(c3ccccc3)CC(S(=O)(=O)c3ccc(F)cc3)=C(c3ccc(/C(N)=N\O)cc3)O2)cc1 ZINC000299839888 KK Annotated Mild CC(=O)NC[C@]1(C)CCC[C@]2(C)c3cc(/N=C/c4cc(Br)cc(Br)c4O)c(C(C)C)cc3CC[C@H]21 ZINC000299839891 KK Annotated Mild CC[C@@H]1C[N@+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299839897 KK Annotated Bother CC[C@@H]1C[N@@+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299839902 KK Annotated Bother CCN(CC)CCCOC1=C[C@H]2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)[C@@H]2C=C1 ZINC000299839903 KK Annotated Anodyne CCN(CC)CCCOC1=C[C@H]2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)[C@H]2C=C1 ZINC000299839904 KK Annotated Anodyne CCN(CC)CCCOC1=C[C@@H]2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)[C@H]2C=C1 ZINC000299839905 KK Annotated Anodyne CCN(CC)CCCOC1=C[C@@H]2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)[C@@H]2C=C1 ZINC000299839906 KK Annotated Anodyne CC[C@@H]1C[N@@+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299839908 KK Annotated Bother CC[C@@H]1C[N@+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N@+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(C=C([C@H]1C[C@@H]32)[C@H]54)[C@@H]69 ZINC000299839912 KK Annotated Bother O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000299839933 KK Annotated Mild C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)Nc1ccccc1C(=O)NS(=O)(=O)CCCC=C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)cc1 ZINC000299839961 KK Annotated Mild c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/C[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299839962 KK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/C[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299839963 KK Annotated Bother CC1(C)C(=O)CC[C@]2(C)C3=C(C(=O)C[C@@H]12)[C@@]1(C)CC[C@@H]([C@H](CCC(=O)O)C(=O)OCc2ccccc2)[C@]1(C)CC3 ZINC000299840137 KK Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2CC[C@@H](C/C=C/CC/C=C/CCC(=O)O)O2)[C@H](C)C[C@@H]1C ZINC000299840181 KK Annotated Mild CCCCOC(=O)CC[C@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]21)C(=O)OC4 ZINC000299840216 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccc(Br)cc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299840252 KK Annotated Mild CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299840325 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299840326 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299840327 KK Annotated Anodyne CCCCN(CCCC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299840328 KK Annotated Anodyne CC(C)Oc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccc(Br)cc43)[C@]23NC(=S)N(c2ccc(F)c(Cl)c2)C3=O)cc1 ZINC000299840336 KK Annotated Anodyne CC(C)Oc1ccc([C@H]2CN(C)[C@]3(C(=O)Nc4ccc(Br)cc43)[C@]23NC(=S)N(c2ccc(F)c(Cl)c2)C3=O)cc1 ZINC000299840337 KK Annotated Anodyne C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3ccccc3Sc3ccccc3C#N)c2)n1 ZINC000299840527 KK Annotated Mild C#CCOc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCc5ccc(C6(C(F)(F)F)N=N6)cc5)(C4)C2)C3)cc1 ZINC000299840542 KK Annotated Mild CCOC(=O)c1ccnc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)c1 ZINC000299840559 KK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccccc3)[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000299840576 KK Annotated Mild COc1ccccc1/C=C/[C@H]1OC[C@H](C/C=C/c2c(OC)cccc2OC)[C@@H](c2ccc(OC)c(OC)c2)O1 ZINC000299840601 KK Annotated Anodyne COc1ccccc1/C=C/[C@@H]1OC[C@@H](C/C=C/c2c(OC)cccc2OC)[C@H](c2ccc(OC)c(OC)c2)O1 ZINC000299840602 KK Annotated Anodyne Fc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(F)c(Cl)c4)c-3c/c2=N/CCCCCCC23CCCCN2CCCC3)cc1Cl ZINC000299840644 KK Annotated Bother C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OCCC=C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)c(C=C)c1 ZINC000299840765 KK Annotated Mild C=CCCCS(=O)(=O)NC(=O)[C@H](CCC)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCCC=C)C(C)(C)C)c1ccc(Oc2cc(OC)nc(-c3ccccc3)n2)c(C=C)c1 ZINC000299840766 KK Annotated Mild c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCCCC23CCCCN2CCCC3)cc1 ZINC000299840788 KK Annotated Bother FC(F)(F)c1cc(-n2cc(CN(Cc3ccccc3)Cc3ccccc3)nn2)c2cccc(C(F)(F)F)c2n1 ZINC000299840803 KK Annotated Anodyne COc1ccccc1/C=C/C(=O)c1c(O)c(C)c(OC)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@@H](O)[C@@]12C ZINC000299840819 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1c(O)c(C)c(OC)c2c1OC1=Cc3c(c(C)nn3-c3ccccc3)[C@H](O)[C@]12C ZINC000299840820 KK Annotated Mild COc1cc(NCc2ccc(-c3ccccc3)s2)c2nccc(C)c2c1Oc1cccc(C(F)(F)F)c1 ZINC000299840886 KK Annotated Anodyne CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 ZINC000299840917 KK Annotated Anodyne N#Cc1ccccc1CSc1nnc2c3ccccc3n(C(=O)c3ccc(F)cc3C(F)(F)F)c2n1 ZINC000299840952 KK Annotated Mild Clc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Cl)cc4)c-3c/c2=N/CC23CCCN2CCC3)cc1 ZINC000299840979 KK Annotated Bother COc1c(O)c2c3c(c(O)cc(C)c3c1O)C(=O)[C@](C)(C/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)C2=O ZINC000299840990 KK Annotated Anodyne Cc1ccc(Nc2cc(-c3ccc(C(=O)N4CCN(C(=O)c5ccccc5F)CC4)cc3)ncn2)cc1Cl ZINC000299841000 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299841082 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299841083 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299841084 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(CC(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299841085 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[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 ZINC000299841116 KK Annotated Anodyne CC[N+](CC)(C[C@H](O)COC(=O)[C@@H]1C[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)C[C@@H]5CO5)[C@@H]4CC[C@@]13C=C2C(C)C)C[C@@H]1CO1 ZINC000299841126 KK Annotated Bother CC[N+](CC)(C[C@H]1CO1)C[C@@H](O)COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13C=C(C(C)C)[C@@H](C[C@H]1C(=O)OC[C@@H](O)C[N+](CC)(CC)C[C@@H]1CO1)C[C@H]23 ZINC000299841127 KK Annotated Bother CC[N+](CC)(C[C@H](O)COC(=O)[C@@H]1C[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)C[C@@H]5CO5)[C@@H]4CC[C@@]13C=C2C(C)C)C[C@H]1CO1 ZINC000299841128 KK Annotated Bother CC[N+](CC)(C[C@H](O)COC(=O)[C@@H]1C[C@H]2C[C@@H]3[C@@]4(C)CCC[C@@](C)(C(=O)OC[C@H](O)C[N+](CC)(CC)C[C@H]5CO5)[C@@H]4CC[C@@]13C=C2C(C)C)C[C@H]1CO1 ZINC000299841129 KK Annotated Bother CC(=O)O[C@@H]1[C@H](C)[C@H](O)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C ZINC000299841139 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)Nc2c(N3CCC(C(C)C)CC3)c(O)c3c4c(c(C)c(O)c3c2O)O[C@](C)(O/C=C/[C@@H](O)[C@H]1C)C4=O ZINC000299841140 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)Nc2c(N3CCC(C(C)C)CC3)c(O)c3c4c(c(C)c(O)c3c2O)O[C@](C)(O/C=C/[C@@H](O)[C@H]1C)C4=O ZINC000299841141 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)[C@H](O)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C(C)C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H]1C ZINC000299841142 KK Annotated Anodyne c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCC[C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299841184 KK Annotated Bother c1ccc(Nc2cc3nc4ccccc4n(-c4ccccc4)c-3c/c2=N/CCC[C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000299841185 KK Annotated Bother C=CCCCS(=O)(=O)NC(=O)c1ccccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(Oc2cc(C=C)nc(-c3ccccc3)n2)cc1 ZINC000299841209 KK Annotated Mild C=C(C[C@@]12C[C@@H](C)C[C@@H](O1)[C@H]1O[C@]3(C[C@H]1O2)NC[C@H](C)C[C@@H]3C)[C@H]1O[C@@](O)([C@H](O)[C@@H]2C[C@H]3O[C@@]4(CC[C@]5(CC=C[C@@H](CCC(=O)O)O5)O4)[C@H](C)C[C@H]3O2)[C@H](C)C[C@@H]1C ZINC000299841292 KK Annotated Mild Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N/Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 ZINC000299841305 KK Annotated Mild CC(C)=CCC[C@H](C(=O)OCc1ccccc1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)C/C(=C\C(=O)O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000299841309 KK Annotated Mild COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc(OC)c1OC ZINC000299841338 KK Annotated Reactive COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc(OC)c1OC ZINC000299841339 KK Annotated Reactive CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299841364 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299841365 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299841366 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(-[n+]5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299841367 KK Annotated Anodyne COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC ZINC000299841376 KK Annotated Reactive COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC ZINC000299841377 KK Annotated Reactive CC(C)=CCC[C@H](C(=O)OCc1ccccc1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)C/C(=C\C(=O)N2CCNCC2)C(=O)C(C)(C)[C@@H]1CC3 ZINC000299841393 KK Annotated Mild COc1ccccc1/C=C/[C@@H]1OC[C@@H](C/C=C/c2c(OC)cccc2OC)[C@H](c2ccccc2OC)O1 ZINC000299841410 KK Annotated Anodyne COc1ccccc1/C=C/[C@H]1OC[C@H](C/C=C/c2c(OC)cccc2OC)[C@@H](c2ccccc2OC)O1 ZINC000299841411 KK Annotated Anodyne CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCCN1CCN(C)CC1 ZINC000299841440 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841444 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841445 KK Annotated Anodyne CC(C)[C@H](NC(=O)C[C@H](NC(=O)CCCCCCCOc1ccc(CN(Cc2ccccc2)C(=O)c2cnc(N)o2)cc1)c1ccccc1)C(=O)[C@@H]1C(=O)NC(=O)[C@H]1C ZINC000299841450 KK Annotated Anodyne COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c(c(c1[C@H](C(C)=O)C(C)=C7)c23)c54)N[C@H]1CCCC[C@H]1N6 ZINC000299841488 KK Annotated Bother COc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c6c(c7c(c(c1[C@H](C(C)=O)C(C)=C7)c23)c54)N[C@@H]1CCCC[C@H]1N6 ZINC000299841489 KK Annotated Bother COc1c(N2CCN(Cc3c(C)cc(C)cc3C)CC2)c2nc3oc2c2c(OC(=O)C(C)(C)C)c(C)c4c(c12)[C@H](O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C\3C)O4 ZINC000299841490 KK Annotated Anodyne CCC[C@H]1C=C[C@H]2/C=C(\C)[C@@H](O[C@H]3C[C@@H](N(C)C)[C@H](NC(=O)c4c(O)ccc(Cl)c4C)[C@@H](C)O3)C/C=C/[C@@H]3C(CC)=C[C@@H]4[C@@H](O)[C@@H](O)C[C@H](C)[C@H]4[C@]3(C)C(=O)C3=C(O)[C@@]2(C1)OC3=O ZINC000299841492 KK Annotated Mild CCCCCc1cccc(O)c1C1=N[C@H]([C@@H]2SC[C@H]([C@H](O)CC(C)(C)C3=N[C@@](C)(C(=O)O)CS3)N2C)CS1 ZINC000299841519 KK Annotated Anodyne CCCCCc1cccc(O)c1C1=N[C@H]([C@@H]2SC[C@H]([C@H](O)CC(C)(C)C3=N[C@](C)(C(=O)O)CS3)N2C)CS1 ZINC000299841520 KK Annotated Anodyne CCCCCc1cccc(O)c1C1=N[C@H]([C@@H]2SC[C@H]([C@@H](O)CC(C)(C)C3=N[C@@](C)(C(=O)O)CS3)N2C)CS1 ZINC000299841521 KK Annotated Anodyne CCCCCc1cccc(O)c1C1=N[C@H]([C@@H]2SC[C@H]([C@@H](O)CC(C)(C)C3=N[C@](C)(C(=O)O)CS3)N2C)CS1 ZINC000299841522 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=C(Oc3cc(N5CCN(CC(C)C)CC5)cc(O)c3N2)/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299841543 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)/C(=C/NOC(c2ccccc2)c2ccccc2)C(=C4O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299841551 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NN(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841553 KK Annotated Anodyne COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299841554 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299841555 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299841556 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299841557 KK Annotated Reactive C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@@H](OC)/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000299841558 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)[C@H](OC)/C=C/C=C\c2nc(co2)C(=O)O1 ZINC000299841559 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000299841562 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)C[C@@H]1OC ZINC000299841563 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)C[C@@H]1OC ZINC000299841564 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]34O)C[C@@H]1OC ZINC000299841565 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(F)(F)F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841570 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(F)(F)F)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841571 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC(=O)[C@](C)(C(=O)O[C@H](C)[C@H](C)O)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@H]1O ZINC000299841572 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC(=O)[C@](C)(C(=O)O[C@H](C)[C@H](C)O)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@@H](O)[C@H]1O ZINC000299841573 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC(=O)[C@](C)(C(=O)O[C@H](C)[C@H](C)O)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@@H](O)[C@@H]1O ZINC000299841574 KK Annotated Anodyne CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@H]([C@](C)(O)/C=C(/C)Cc2csc([C@]3(C)O[C@@H]3C)n2)OC(=O)[C@](C)(C(=O)O[C@H](C)[C@H](C)O)CC[C@H](C)C[C@H](O)[C@H](C)C(=O)[C@H](C)/C=C\C[C@H](C)[C@H](O)[C@@H]1O ZINC000299841575 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(C)(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841580 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)C(C)(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841581 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H]1C ZINC000299841586 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H]1C ZINC000299841587 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H]1C ZINC000299841588 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5scnc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H]1C ZINC000299841589 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000299841590 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@H](OC(=O)[C@@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000299841591 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@H](OC(=O)[C@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000299841592 KK Annotated Anodyne COCCC/C(C)=C1\CO[C@H](CC(C)C)\C1=C/[C@@H]1N=C2O[C@H]1COC(=O)[C@@H](CC(C)C)CC(=O)O[C@@H]1[C@@H](OC(=O)[C@@]1(C)CO)/C(C)=C/Cc1ccc2[nH]1 ZINC000299841593 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C/[C@H](OC)/C=C\c2nc(co2)C(=O)O1 ZINC000299841594 KK Annotated Anodyne C/C=C/[C@H](O)C(C)(C)[C@@H]1C/C=C\C=C/C=C/[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)[C@@H](O)/C=C/C)C/C=C\[C@@H](O)/C=C/[C@@H](OC)/C=C\c2nc(co2)C(=O)O1 ZINC000299841595 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccc3ccccc3c2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000299841596 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841597 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841598 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841599 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841600 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841601 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841602 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841603 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@H](OCC(=O)N5CCCCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841604 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSCC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841605 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSCC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841606 KK Annotated Anodyne CCCCCCCCN[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299841607 KK Annotated Mild CCCCCCCCN[C@@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H]([C@@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299841608 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299841609 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299841610 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299841611 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCC(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299841612 KK Annotated Anodyne CO[C@@H]1/C=C(C)/C=C/[C@@H](C)/C=C(\C)C(=O)O[C@H](/C(C)=C/C=C(\C)CNC(=O)[C@@H](NC=O)OC(=O)Nc2ccccc2)[C@@H](C)/C=C/C=C/[C@@H](OC)CC/C=C(C)\C=C\C1 ZINC000299841628 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299841629 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299841630 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299841631 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)Nc5ccc(Cl)cc5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299841632 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299841634 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299841635 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841636 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCN5CCOCC5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299841637 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000299841638 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000299841639 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000299841640 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000299841641 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@H](O)CCC/C(C)=C/C(=O)O1 ZINC000299841642 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000299841643 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000299841645 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000299841646 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000299841647 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CC#N)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C1=O)[C@]34O)O2 ZINC000299841648 KK Annotated Mild COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299841649 KK Annotated Reactive COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299841650 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] ZINC000299841651 KK Annotated Reactive COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] ZINC000299841652 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)OCCO[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299841653 KK Annotated Anodyne CO[C@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCN(Cc6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299841778 KK Annotated Clean CCOc1cc(NC(=O)C2(NC(=O)c3ccc4c(C5CCCC5)c(-c5ncc(Cl)cn5)n(C)c4c3)CCC2)ccc1/C=C/C(=O)OCOP(=O)(O)O ZINC000299842507 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299842815 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299842816 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299842817 KK Annotated Anodyne CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H]([C@H](C)CC)O5)O4)OC(=O)[C@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]45O)C[C@@H]2OC)C[C@@H]1OC ZINC000299842818 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299842821 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299842822 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299842823 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](OC(C)=O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299842824 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299842826 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299842827 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299842828 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCC(C)CC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299842829 KK Annotated Anodyne C=CCN1[C@H](c2ccccc2)C[C@]2(C[C@@H]1c1ccccc1)N=C1C(=C3NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2 ZINC000299842832 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842833 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842834 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000299842835 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](O)[C@H](C)CCO)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000299842836 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O5)CC1 ZINC000299842837 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O5)CC1 ZINC000299842838 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O5)CC1 ZINC000299842839 KK Annotated Anodyne CCOC(=O)N1CCN(c2nc3c(s2)c2c(O)c4c(O)c(C)c5c(c43)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O5)CC1 ZINC000299842840 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299842841 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299842842 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299842843 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299842844 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299842845 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299842846 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299842847 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299842848 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCc5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842853 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NCc5ccccc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842854 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C1=CCC(C#N)(C#N)C(C#N)(C#N)[C@]15CC)c(CC)c4CC)C(=O)C3(CC)CC ZINC000299842856 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(Cc5cnc6ccccc6c5)CC3)CNC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299842862 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842863 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842864 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)COC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842865 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)COC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842866 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ccncc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842968 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CSc5ccncc5)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842969 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842970 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842971 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299842972 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299842973 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299842974 KK Annotated Anodyne COc1c(C)c2c3c4c(O)cc5c(c14)O[C@@H](N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O2)C3=O ZINC000299842975 KK Annotated Anodyne CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299842977 KK Annotated Mild CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299842978 KK Annotated Mild CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299842979 KK Annotated Mild CCCCN(CCCC)/N=C/c1cc2c3c4c(C)c(O)c2c(O)c1NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](OC)/C=C/O[C@@](C)(O4)C3=O ZINC000299842980 KK Annotated Mild COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299842981 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299842982 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 ZINC000299842983 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299842984 KK Annotated Reactive C=C(CCC(C)C)COC(=O)[C@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C/C/C=C/C(C)=C\[C@@H]3C[C@@H](O)C[C@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)O3 ZINC000299842986 KK Annotated Mild CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299842991 KK Annotated Anodyne CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299842992 KK Annotated Anodyne CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299842993 KK Annotated Anodyne CCCN(C)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299842994 KK Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000299842995 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842996 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299842997 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299842998 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299842999 KK Annotated Anodyne [O-][N@+]12CCCC/C=C\CC[C@]3(O)C=C(c4nccc5c4[nH]c4ccccc45)[C@H](CC1)[C@]1(C[C@@H]4C=CCCCC[N@+]4([O-])[C@@H]31)C2 ZINC000299843013 KK Annotated Bother [O-][N@@+]12CCCC/C=C\CC[C@]3(O)C=C(c4nccc5c4[nH]c4ccccc45)[C@H](CC1)[C@]1(C[C@@H]4C=CCCCC[N@+]4([O-])[C@@H]31)C2 ZINC000299843014 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299843019 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299843020 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000299843021 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C4=O ZINC000299843022 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299843023 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O ZINC000299843024 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(C(=O)Nc2ccc(Br)cc2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299843025 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C)C4=O ZINC000299843026 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299843027 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299843028 KK Annotated Clean CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)-c2[nH]c3ccc(Br)c[n+]3c2/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)C4=O ZINC000299843029 KK Annotated Clean CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843030 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](SCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843031 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](OC(=O)[C@@H](C)N(C)C)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C/1C ZINC000299843334 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843335 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843336 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843337 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843338 KK Annotated Reactive CC(=O)O[C@H]1[C@@H](C)[C@@H]2O[C@H](/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H]2C)[C@H]1C ZINC000299843339 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)[C@H]2/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@@H](O2)[C@H]1C ZINC000299843340 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](C)[C@H]2/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O2)[C@H]1C ZINC000299843341 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](C)[C@@H]2O[C@H](/C=C/O[C@@]3(C)Oc4c(C)c(O)c5c(O)c(c(N6CCN(Cc7c(C)cc(C)cc7C)CC6)c(O)c5c4C3=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H]2C)[C@H]1C ZINC000299843342 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CCC(=O)NCCOCCOCCN)c1C)/C=c1\[nH]/c(c(CC)c1CC)=C/c1[nH]c(c(C)c1CCC(=O)NCCOCCOCCN)/C=C1\N=C(C2)C(C)=C1CC ZINC000299843345 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299843346 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299843347 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299843348 KK Annotated Anodyne CCCCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299843349 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843350 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843351 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843352 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCCCC5)cc4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843353 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843354 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843355 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843356 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6ccc(OCc7ccccc7)c[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843357 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843358 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](SCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843359 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843361 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843362 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843363 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCN(Cc6c(C)cc(C)cc6C)CC5)c(O)c4c3C2=O)NC(=O)[C@H](C)CCC[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843364 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299843365 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299843366 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843367 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299843368 KK Annotated Anodyne CO[C@H]1CC[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)[C@H](C)[C@H](OC(C)=O)[C@H](C)/C=C/N(C)C=O)C/C=C/[C@H](OC)C[C@H](C)C/C=C/1C ZINC000299843374 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@@H]1CO ZINC000299843388 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299843391 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N/OCCCCc2ccc3ncccc3c2)/C=C/C(C)=C/[C@H]1CO ZINC000299843394 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](F)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843398 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299843400 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299843404 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299843407 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843411 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843419 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843424 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843427 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(N5CCCCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843431 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843451 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843454 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843457 KK Annotated Bother CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c([nH]c6c7ccccc7cc[n+]65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843459 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843472 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC(=O)OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843475 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843479 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843483 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843485 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5sc(N6CCNCC6)nc5c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843490 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299843822 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299843823 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299843824 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](OC(C)=O)[C@@H]1C ZINC000299843825 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 ZINC000299843826 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 ZINC000299843827 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299843828 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OC/C=N/OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299843829 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299843835 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299843836 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299843837 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N5CCCC5)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299843838 KK Annotated Anodyne CCc1c(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C1=CCC(C(=O)OC)=C(C(=O)OC)[C@]15CC)c(CC)c4CC)C(=O)C3(CC)CC ZINC000299843840 KK Annotated Bother 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CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299844051 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299844052 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299844053 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@H]1C[C@@H](C/C=C(\C)[C@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 ZINC000299844054 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299844059 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299844060 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299844061 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H]([S@@](=O)CCO)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299844062 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)/C=C(CO)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000299844064 KK Annotated Anodyne CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844065 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299844066 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299844067 KK Annotated Mild CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN6CCCC[C@@H]6C5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299844068 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H]2O[C@@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000299844069 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@H]1CC(C)=C1[C@H](O)C[C@@](C)(O)[C@@H]3CC[C@](C)(OC(C)=O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000299844070 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H]2O[C@@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000299844071 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@](C)(O)[C@@H]3CC[C@](C)(OC(C)=O)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000299844072 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844100 KK Annotated Mild 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CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CCC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000299844112 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000299844113 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@@H](OC)C1 ZINC000299844114 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000299844115 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](OC)C1 ZINC000299844116 KK Annotated Anodyne CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@@]1(CC[C@@H](C)[C@@H](C[C@@H](C)O)O1)[C@@H]2C ZINC000299844117 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NCc4ccccc4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299844162 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(NC4CCCCCC4)c4c(c3C2=O)C(=O)C(/C=N/N2CCN(C)CC2)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000299844163 KK Annotated Mild CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@H]2[C@@H](C)[C@@H](CC1)O[C@]1(O[C@H](C[C@@H](C)O)[C@H](C)CC1=O)[C@@H]2C ZINC000299844184 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299844204 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299844205 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299844206 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844207 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](O)C1 ZINC000299844208 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H](O)C1 ZINC000299844209 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@@H](O)C1 ZINC000299844210 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](O)C1 ZINC000299844211 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000299844249 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@@H](C)NC(C)=O)CC/C(C)=C/CC2 ZINC000299844257 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCC1)CC/C(C)=C/CC2 ZINC000299844258 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000299844263 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000299844264 KK Annotated Anodyne OC([C@@H]1CCCC1=N/N=C1/CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl ZINC000299844269 KK Annotated Mild OC([C@H]1CCCC1=N/N=C1/CCC[C@@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl ZINC000299844270 KK Annotated Mild OC([C@H]1CCC/C1=N/N=C1CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl ZINC000299844271 KK Annotated Mild OC([C@H]1CCCC1=N/N=C1/CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl ZINC000299844272 KK Annotated Mild CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@@H](OC)C1 ZINC000299844273 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000299844274 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C1 ZINC000299844275 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C1 ZINC000299844276 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)/C=C\C=C(C)C(=O)N2)O4 ZINC000299844316 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C\C=C(C)C(=O)N2)O4 ZINC000299844317 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C\C=C(C)C(=O)N2)O4 ZINC000299844318 KK Annotated Anodyne CCN(CC)C(=O)COc1cc2c(O)c3c(O)c(C)c4c(c13)C(=O)[C@@](C)(O/C=C\[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C\C=C(C)C(=O)N2)O4 ZINC000299844319 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000299844330 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)CC/C(C)=C/CC2 ZINC000299844331 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@@H](OC(C)=O)[C@@H]1C)[C@@H]2C ZINC000299844340 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@@H](OC(C)=O)[C@H]1C)[C@@H]2C ZINC000299844341 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@H](OC(C)=O)[C@H]1C)[C@@H]2C ZINC000299844342 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C5SCCS5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C\[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H](C)[C@H](OC(C)=O)[C@@H]1C)[C@@H]2C ZINC000299844343 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)[C@H](C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000299844361 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](O)C1 ZINC000299844362 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@@H](O)C1 ZINC000299844363 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H](O)C1 ZINC000299844364 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](CC(=O)O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](O)C1 ZINC000299844365 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCCC=CC[C@H](OC(=O)CNC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000299844367 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](O)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C1 ZINC000299844403 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](O)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C1 ZINC000299844404 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](O)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@@H](OC)C1 ZINC000299844405 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](O)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000299844406 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@@H](OC)C1 ZINC000299844413 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@@H](OC)C1 ZINC000299844414 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@H](C)[C@H](OC)C1 ZINC000299844415 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H](OC)C[C@H](O)/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)[C@H](OC)C2=CC(=O)O[C@H]([C@H]2O)[C@@H](C)[C@H](OC)C1 ZINC000299844416 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](OC)C1 ZINC000299844425 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@H](OC)C1 ZINC000299844426 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@H](OC)C1 ZINC000299844427 KK Annotated Anodyne CO[C@@H]1/C=C/[C@H](C)[C@H]([C@H](C)[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)OC(=O)/C=C/C=C(\C)C[C@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@H](OC)C[C@H](OC)/C=C/[C@@H](C)[C@@H](OC)C1 ZINC000299844428 KK Annotated Anodyne CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C ZINC000299844444 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000299844445 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299844446 KK Annotated Mild CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N\OCCCc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C ZINC000299844447 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCC/C=C/[C@@]3(C)C=C1C(=O)O ZINC000299844474 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]cc(Br)c6Br)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCC/C=C/[C@@]3(C)C=C1C(=O)O ZINC000299844486 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]ccc6Br)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCC/C=C/[C@@]3(C)C=C1C(=O)O ZINC000299844487 KK Annotated Mild CC[C@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@@]2(CC)[C@H]4CC[C@H](C)[C@H](O[C@H]5C[C@@H](O)[C@H](NC(=O)c6[nH]c(Cl)c(Cl)c6Cl)[C@@H](C)O5)[C@H]4C=C[C@H]2CCCC/C=C/[C@@]3(C)C=C1C(=O)O ZINC000299844492 KK Annotated Mild CCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844504 KK Annotated Mild Cc1c2c(cc[n+]1CCC(C)C)c1ccc(OCCOCc3ccccc3)cc1n2CCOCc1ccccc1 ZINC000299844512 KK Annotated Anodyne CCCC[N+](CCCC)(CCCC)Cc1ccc(Oc2ccc(C[N+](CCCC)(CCCC)CCCC)cc2)cc1 ZINC000299844537 KK Annotated Bother CCCCN1/C(=C/C=C/c2sc3ccc(Br)cc3[n+]2CCCC)Sc2ccc(Br)cc21 ZINC000299844570 KK Annotated Clean CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(CCCN(C)C)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844573 KK Annotated Anodyne C(#Cc1ccc(C[n+]2cn(-c3cccc(-n4c[n+](Cc5ccc(C#Cc6ccccc6)cc5)c5ccccc54)n3)c3ccccc32)cc1)c1ccccc1 ZINC000299844582 KK Annotated Mild CCCCCCCCCCCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCCCCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844586 KK Annotated Mild CCCC[N+](CCCC)(CCCC)Cc1ccc(C(=O)c2ccc(C[N+](CCCC)(CCCC)CCCC)cc2)cc1 ZINC000299844589 KK Annotated Bother CCCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844590 KK Annotated Mild CCCCCCCCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844598 KK Annotated Mild CCCCN1/C(=C/C=C(Br)/C=C/C2=[N+](CCCC)c3ccc(Br)cc3C2(C)C)C(C)(C)c2cc(Br)ccc21 ZINC000299844613 KK Annotated Anodyne CCN1/C(=C/C=C/c2sc3cc(Br)ccc3[n+]2CC)Sc2cc(Br)ccc21 ZINC000299844619 KK Annotated Clean CCn1c2ccccc2c2cc(/C=C/c3cc(N4CCN(CCN(C)C)CC4)c4ccccc4[n+]3C)ccc21 ZINC000299844640 KK Annotated Anodyne CCCCN1/C(=C/C=C/c2sc3cc(Br)ccc3[n+]2CCCC)Sc2cc(Br)ccc21 ZINC000299844645 KK Annotated Clean CCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844669 KK Annotated Mild CCCCCCCCCCCCCCCC[N+]12CC[N+](CCCCC[N+]34CC[N+](CCCCCCCCCCCCCCCC)(CC3)CC4)(CC1)CC2 ZINC000299844704 KK Annotated Mild C(#Cc1ccc(C[n+]2cn(Cc3cccc(Cn4c[n+](Cc5ccc(C#Cc6ccccc6)cc5)c5ccccc54)n3)c3ccccc32)cc1)c1ccccc1 ZINC000299844711 KK Annotated Mild COc1ccc(/N=N/c2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Cl)n4)ccc3c2O)cc1 ZINC000299844715 KK Annotated Clean C(/C=C/c1sc2c3ccccc3ccc2[n+]1CCCc1ccccc1)=C1/Sc2c(ccc3ccccc23)N1CCCc1ccccc1 ZINC000299844744 KK Annotated Clean COC(=O)c1cc2c3ccccc3n(Cc3cc(OC)c(OC)c(OC)c3)c2c2cn(-c3ccc(Cl)cc3)c[n+]12 ZINC000299844758 KK Annotated Bother C/C1=C/C=C\C=C\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C(SCC(=O)O)=C(NC1=O)C3=O ZINC000299844773 KK Annotated Mild CCN(CC)CCOc1cccc2oc3c4c(=O)c5c(O)c(C)c6c(c5c-3nc12)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N4)O6 ZINC000299844775 KK Annotated Bother CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C/[C@H](CC)CC[C@H](O2)[C@H]1CCCO ZINC000299844781 KK Annotated Anodyne CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@H](C)O ZINC000299844782 KK Annotated Anodyne CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC[C@@H](C)O ZINC000299844783 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C/[C@H](CC)CC[C@H](O2)[C@H]1CC[C@@H](C)O ZINC000299844784 KK Annotated Anodyne CC[C@@H](O)C[C@@H]1O[C@@]2(CC[C@@H]1C)C[C@@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](O)C[C@H](OC)C[C@H](O)[C@H](C)[C@H](O)CC/C=C/C=C/[C@H](CC)CC[C@H](O2)[C@H]1CC[C@H](C)O ZINC000299844785 KK Annotated Anodyne CCCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O2 ZINC000299844791 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2[C@@](OC(=O)c3cccc(Cl)c3)([C@H](O)C[C@H]3[C@]4(C)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)[C@@H]1OC(C)=O ZINC000299844825 KK Annotated Anodyne COc1cccc(/C=C/C(=O)O[C@H]2C[C@@H]3C(=CC[C@H]4[C@]5(C)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]5(C)CC(=O)[C@]43C)C(C)(C)[C@@H]2OC(=O)/C=C/c2cccc(OC)c2)c1 ZINC000299844829 KK Annotated Anodyne CCOCC(=O)O[C@H]1C[C@@H]2[C@@](OC(=O)c3cccc(Cl)c3)([C@H](O)C[C@H]3[C@]4(C)C[C@@H](OC(=O)COCC)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@@]23C)C(C)(C)[C@@H]1OC(=O)COCC ZINC000299844838 KK Annotated Anodyne CC(C)CCN1[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@H](CC(C)C)C(=O)O)c2)CCC[C@H]1C(F)(F)F ZINC000299844889 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)NCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299844924 KK Annotated Mild C[C@H]1[C@@]2(CCC(C)(C)O2)O[C@@H]2C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@@]21O)C[C@@H]1CC[C@H]2C3=C[C@H]4O[C@@]5(O[C@@](C)(CO)C[C@@H]5O)[C@H](C)[C@@]4(O)[C@]3(C)[C@@H](O)C[C@@H]2[C@]1(C)C7 ZINC000299844956 KK Annotated Anodyne C[C@H]1[C@@]2(CCC(C)(C)O2)O[C@@H]2C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@@]21O)C[C@@H]1CC[C@@H]2C3=C[C@H]4O[C@@]5(O[C@@](C)(CO)C[C@@H]5O)[C@H](C)[C@@]4(O)[C@]3(C)[C@@H](O)C[C@H]2[C@]1(C)C7 ZINC000299844957 KK Annotated Anodyne C[C@H]1[C@@]2(CCC(C)(C)O2)O[C@@H]2C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@@]21O)C[C@@H]1CC[C@@H]2C3=C[C@H]4O[C@@]5(O[C@@](C)(CO)C[C@@H]5O)[C@H](C)[C@@]4(O)[C@]3(C)[C@@H](O)C[C@@H]2[C@]1(C)C7 ZINC000299844958 KK Annotated Anodyne C[C@H]1[C@@]2(CCC(C)(C)O2)O[C@@H]2C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@@]3(C)[C@@]21O)C[C@@H]1CC[C@H]2C3=C[C@H]4O[C@@]5(O[C@@](C)(CO)C[C@@H]5O)[C@H](C)[C@@]4(O)[C@]3(C)[C@@H](O)C[C@H]2[C@]1(C)C7 ZINC000299844959 KK Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@]32CO)C[C@@H]2CC[C@@H]3C4=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@H]3[C@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299844980 KK Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@]32CO)C[C@@H]2CC[C@@H]3C4=C[C@H]5O[C@@]6(O[C@](C)(CO)C[C@@H]6O)[C@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@H]3[C@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299844981 KK Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@]32CO)C[C@@H]2CC[C@@H]3C4=C[C@H]5O[C@@]6(O[C@](C)(CO)C[C@@H]6O)[C@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@@H]3[C@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299844982 KK Annotated Anodyne C[C@@H]1[C@@H]2[C@@H](C=C3[C@@H]4CC[C@@H]5Cc6nc7c(nc6C[C@@]5(C)[C@@H]4C[C@H](O)[C@]32CO)C[C@@H]2CC[C@@H]3C4=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@@H]3[C@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000299844983 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC(C)=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299845004 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)n4cc(C(=O)O)nn4)O3)O[C@@H](CC1)[C@H]2C ZINC000299845020 KK Annotated Anodyne CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@@H]2Cc3ccc(C(F)(F)F)cc3C2)CC1 ZINC000299845055 KK Annotated Anodyne CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(C(F)(F)F)cc3C2)CC1 ZINC000299845056 KK Annotated Anodyne CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@H](NC[C@H]2Cc3ccc(Br)cc3C2)CC1 ZINC000299845064 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccc(F)cc1)[C@@]13C(=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]21)c1ccccc1N3c1ccccc1 ZINC000299845099 KK Annotated Anodyne O=C1CC[C@H](C(O)(c2ccccc2)c2ccccc2)N1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(N2C(=O)CC[C@@H]2C(O)(c2ccccc2)c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000299845118 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299845131 KK Annotated Anodyne CCCCC[C@@H](NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32)P(=O)(OCC)OCC ZINC000299845136 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)N=[N+]=[N-])O3)O[C@@H](CC1)[C@H]2C ZINC000299845182 KK Annotated Clean CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)n4cc(-c5ccccc5)nn4)O3)O[C@@H](CC1)[C@H]2C ZINC000299845206 KK Annotated Anodyne O=C(OCC12CC3CC(CC(C3)C1)C2)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(O)cc1 ZINC000299845208 KK Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](OC(=O)[C@H]3[C@H](c4ccc(O)cc4)[C@H](C(=O)O[C@@H]4CC[C@@H]([C@@H]5CC[C@@H](CCC)CC5)CC4)[C@H]3c3ccc(O)cc3)CC2)CC1 ZINC000299845227 KK Annotated Anodyne CCC[C@@H]1CC[C@@H]([C@@H]2CC[C@H](OC(=O)[C@H]3[C@H](c4ccc(O)cc4)[C@H](C(=O)O[C@H]4CC[C@@H]([C@@H]5CC[C@@H](CCC)CC5)CC4)[C@H]3c3ccc(O)cc3)CC2)CC1 ZINC000299845230 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)OS(C)(=O)=O)O3)O[C@@H](CC1)[C@H]2C ZINC000299845231 KK Annotated Mild C=C(C)[C@H]1CC=C(COC(=O)[C@H]2[C@H](c3ccc(O)cc3)[C@H](C(=O)OCC3=CC[C@H](C(=C)C)CC3)[C@H]2c2ccc(O)cc2)CC1 ZINC000299845232 KK Annotated Mild C=C(C)[C@@H]1CC=C(COC(=O)[C@H]2[C@@H](c3ccc(O)cc3)[C@H](C(=O)OCC3=CC[C@H](C(=C)C)CC3)[C@@H]2c2ccc(O)cc2)CC1 ZINC000299845234 KK Annotated Mild C=C(C)[C@@H]1CC=C(COC(=O)[C@H]2[C@H](c3ccc(O)cc3)[C@H](C(=O)OCC3=CC[C@H](C(=C)C)CC3)[C@H]2c2ccc(O)cc2)CC1 ZINC000299845236 KK Annotated Mild C=C(C)[C@@H]1CC=C(COC(=O)[C@H]2[C@H](c3ccc(O)cc3)[C@H](C(=O)OCC3=CC[C@@H](C(=C)C)CC3)[C@H]2c2ccc(O)cc2)CC1 ZINC000299845238 KK Annotated Mild CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)n4cc(C(=O)OC)nn4)O3)O[C@@H](CC1)[C@H]2C ZINC000299845252 KK Annotated Anodyne CC[C@H]1/C=C/C=C/C[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2[C@H](C)[C@@]3(CC[C@H](C)[C@H](C[C@H](C)n4cc(C(=O)NCCN(C)C)nn4)O3)O[C@@H](CC1)[C@H]2C ZINC000299845255 KK Annotated Anodyne O=C(OC1CCCCCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC2CCCCCC2)[C@H]1c1ccc(O)cc1 ZINC000299845256 KK Annotated Anodyne O=C(OCCC1CCCCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCCC2CCCCC2)[C@H]1c1ccc(O)cc1 ZINC000299845258 KK Annotated Anodyne O=C(OCC(F)(F)C(F)F)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC(F)(F)C(F)F)[C@H]1c1ccc(O)cc1 ZINC000299845283 KK Annotated Mild O=C(OC(C(F)(F)F)C(F)(F)F)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(O)cc1 ZINC000299845285 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CC[C@@H]2[C@H](C)[C@H](OP(=O)(O)O)[C@H](C)[C@@H](C)[C@H]2O1 ZINC000299845287 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CC[C@H]2[C@@H](O1)[C@@H](C)[C@@H](C)[C@@H](OP(=O)(O)O)[C@H]2C ZINC000299845289 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CC[C@H]2[C@@H](O1)[C@H](C)[C@@H](C)[C@@H](OP(=O)(O)O)[C@H]2C ZINC000299845290 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@]1(C)CC[C@@H]2[C@H](C)[C@H](OP(=O)(O)O)[C@H](C)[C@H](C)[C@H]2O1 ZINC000299845292 KK Annotated Anodyne CN1CCN([C@@]23CCN(CCCN4CCCCC4)[C@@H]([C@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1 ZINC000299845314 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@H]1c1ccc(O)cc1 ZINC000299845335 KK Annotated Anodyne O=C(OCC1CCCCC1)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)OCC2CCCCC2)[C@H]1c1ccc(O)cc1 ZINC000299845337 KK Annotated Anodyne CC(C)(C)C1CCC(OC(=O)[C@H]2[C@H](c3ccc(O)cc3)[C@H](C(=O)OC3CCC(C(C)(C)C)CC3)[C@H]2c2ccc(O)cc2)CC1 ZINC000299845340 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)[C@H](c1ccccc1)[C@H]3C(=O)c1ccccc1 ZINC000299845395 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)[C@@H](c1ccccc1)[C@H]3C(=O)c1ccccc1 ZINC000299845396 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@@]13C(=C[C@H]2[C@H]2C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]21)c1ccccc1N3c1ccccc1 ZINC000299845410 KK Annotated Anodyne CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@@H]3CC[C@@H]4[C@@H]5[C@@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)C[C@](C)(O1)C(C)(C)O2 ZINC000299845430 KK Annotated Mild CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@@H]3CC[C@@H]4[C@@H]5[C@@H](O)CC6=CC(=O)C=C[C@]6(C)[C@@H]5CC[C@]34C)C[C@](C)(O1)C(C)(C)O2 ZINC000299845431 KK Annotated Mild CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@@H]3CC[C@H]4[C@@H]5[C@@H](O)CC6=CC(=O)C=C[C@]6(C)[C@H]5CC[C@@]43C)C[C@](C)(O1)C(C)(C)O2 ZINC000299845432 KK Annotated Mild CSC(=O)C[C@@]12O[C@@H]([C@@H](C)[C@@H]3CC[C@H]4[C@@H]5[C@@H](O)CC6=CC(=O)C=C[C@]6(C)[C@@H]5CC[C@]34C)C[C@](C)(O1)C(C)(C)O2 ZINC000299845433 KK Annotated Mild C[C@@H]1[C@@H]2C[C@H](O)c3c4c(cc(c32)O[C@]12OC(C)(C)C[C@@H]2O)[C@]1(C)Cc2nc3c(nc2C[C@@H]1CC4)C[C@]1(C)[C@H](CC[C@@H]2C4=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@H]21)C3 ZINC000299845434 KK Annotated Anodyne C[C@@H]1[C@@H]2C[C@H](O)c3c4c(cc(c32)O[C@]12OC(C)(C)C[C@@H]2O)[C@]1(C)Cc2nc3c(nc2C[C@@H]1CC4)C[C@@]1(C)[C@H]2C[C@H](O)[C@]4(C)C(=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@H](C)[C@]54O)[C@H]2CC[C@@H]1C3 ZINC000299845435 KK Annotated Anodyne C[C@@H]1[C@@H]2C[C@H](O)c3c4c(cc(c32)O[C@]12OC(C)(C)C[C@@H]2O)[C@]1(C)Cc2nc3c(nc2C[C@@H]1CC4)C[C@]1(C)[C@H](CC[C@H]2C4=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@H](C)[C@@]5(O)[C@]4(C)[C@@H](O)C[C@H]21)C3 ZINC000299845436 KK Annotated Anodyne C[C@@H]1[C@@H]2C[C@H](O)c3c4c(cc(c32)O[C@]12OC(C)(C)C[C@@H]2O)[C@]1(C)Cc2nc3c(nc2C[C@@H]1CC4)C[C@@]1(C)[C@H]2C[C@H](O)[C@]4(C)C(=C[C@H]5O[C@@]6(O[C@@](C)(CO)C[C@@H]6O)[C@H](C)[C@]54O)[C@@H]2CC[C@@H]1C3 ZINC000299845437 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@]13C(=C[C@H]2[C@H]2C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]21)c1ccccc1N3c1ccccc1 ZINC000299845438 KK Annotated Bother C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@@H]3[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845461 KK Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@H]3[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845462 KK Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@H]3[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845463 KK Annotated Anodyne C[C@@H]1[C@@]2(O[C@@H]3C=C4[C@H]5CC[C@@H]6Cc7nc8c(nc7C[C@@]6(C)[C@@H]5C[C@H](O)[C@@]4(C)[C@]13O)C[C@@H]1CC[C@@H]3C4=CC[C@H]5[C@@H](C)[C@]6(OC[C@@]45C(=O)C[C@@H]3[C@]1(C)C8)OC(C)(C)C[C@@H]6O)O[C@@](C)(CO)C[C@@H]2O ZINC000299845464 KK Annotated Anodyne COc1ccc(C2=[N+]3C(=Cc4c(C)c(CCC(=O)NCCCCCC(=O)NCCCn5nc(C(=O)N[C@H]6C[C@@H]7CCC[C@H](C6)N7C)c6ccccc65)c(C)n4[B-]3(F)F)C=C2)cc1 ZINC000299845561 KK Annotated Anodyne C=C(C[n+]1ccc(N(C)C)cc1)[C@@H]1CC[C@]2(COC(=O)C[n+]3ccc(N(C)C)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C[n+]6ccc(N(C)C)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299845579 KK Annotated Mild CC1=CC[C@@H]2CCCC[C@H]2[C@H]1N1C(=O)[C@@H]2[C@@H]3C[C@H]4[C@](C=C3C(C)C)(CC[C@H]3[C@](C)(C(=O)O)CCC[C@]43C)[C@@H]2C1=O ZINC000299845626 KK Annotated Anodyne C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)[C@](C)(O)/C5=C\CO)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000299845696 KK Annotated Bother C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)[C@](C)(O)/C5=C\C=N/OCC)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000299845719 KK Annotated Mild C[C@@H]1CC[C@H](C(C)(C)SC2=C(SC(C)(C)[C@H]3CC[C@@H](C)CC3=O)C(=O)c3ccccc3C2=O)C(=O)C1 ZINC000299845723 KK Annotated Mild C[C@H]1CC[C@H](C(C)(C)SC2=C(SC(C)(C)[C@H]3CC[C@@H](C)CC3=O)C(=O)c3ccccc3C2=O)C(=O)C1 ZINC000299845724 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(=O)N(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299845820 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCCC[C@H]67)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000299845821 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCCC[C@@H]67)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000299845822 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCCC[C@H]67)c(OC)cc5N(C)[C@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000299845823 KK Annotated Anodyne CCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000299845831 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@@H](C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000299845845 KK Annotated Anodyne O=C(NC1CC1)c1cc2c(s1)-c1ccccc1N(C(=O)[C@@H]1CC[C@@H](NC(=O)c3cccnc3N3CCCC3)CC1)CC2 ZINC000299845898 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC(C)=O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299845900 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN=C5C2)OCO4)CC[N@@+]1(C)[O-] ZINC000299845954 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(=O)CCC(=O)O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299845962 KK Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OCc3ccccc3)[C@@]34[C@H]5C[C@@H]6CC[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6OCc1ccccc1 ZINC000299845983 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)[C@H]4[C@H](C=C(Cl)Cl)C4(C)C)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846012 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)[C@H]4[C@@H](C=C(Cl)Cl)C4(C)C)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846013 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)[C@@H]4[C@H](C=C(Cl)Cl)C4(C)C)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846014 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)[C@@H]4[C@@H](C=C(Cl)Cl)C4(C)C)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846015 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@@H]3[C@@H](C=C(Br)Br)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846020 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@H]3[C@H](C=C(Br)Br)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846021 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@@H]3[C@H](C=C(Br)Br)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846022 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@H]3[C@@H](C=C(Br)Br)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846023 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Nc3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846027 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Nc3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846028 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846029 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846030 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C(C)C)[C@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000299846033 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000299846034 KK Annotated Bother CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)CC(C)(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846041 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)CC(C)(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846042 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000299846043 KK Annotated Mild N#CC1(C#N)[C@H](c2ccc(OC(F)(F)F)c(Cl)c2)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000299846044 KK Annotated Mild C=C1c2c(C)nn(-c3ccc(OC)cc3)c2N(C)[C@@]23C[C@H]1[C@@]1(C)c4c(C)nn(-c5ccc(OC)cc5)c4N(C)[C@@](C)(C[C@@H]12)C3 ZINC000299846045 KK Annotated Mild C=C1c2c(C)nn(-c3ccc(OC)cc3)c2N(C)[C@@]23C[C@H]1[C@]1(C)c4c(C)nn(-c5ccc(OC)cc5)c4N(C)[C@@](C)(C[C@@H]12)C3 ZINC000299846046 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Nc4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846050 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Nc4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846051 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(C)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846054 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(C)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846055 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Nc3ccc(Cl)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846056 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Nc3ccc(Cl)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846057 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccccc4OC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846071 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccccc4OC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846072 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C)[C@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000299846076 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000299846077 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2C)[C@@H](CO[SiH](C)C)CC(C)C)c(OC)c1 ZINC000299846089 KK Annotated Reactive COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2C)[C@H](CO[SiH](C)C)CC(C)C)c(OC)c1 ZINC000299846090 KK Annotated Reactive C/C=C/C(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@@H](C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)C[C@@H]1OC ZINC000299846091 KK Annotated Anodyne C/C=C/C(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)C[C@@H]1OC ZINC000299846092 KK Annotated Anodyne COc1ccc(-n2nc(C)c3c2N(C)[C@@]2(C)C[C@H]4[C@]3(C)[C@H]3C[C@@]4(C2)N(C)c2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]3C)cc1 ZINC000299846096 KK Annotated Anodyne COc1ccc(-n2nc(C)c3c2N(C)[C@@]2(C)C[C@@H]4[C@]5(C[C@@H]([C@@H](C)c6c(C)nn(-c7ccc(OC)cc7)c6N5C)[C@@]34C)C2)cc1 ZINC000299846097 KK Annotated Anodyne COc1ccc(-n2nc(C)c3c2N(C)[C@@]2(C)C[C@H]4[C@]3(C)[C@H]3C[C@@]4(C2)N(C)c2c(c(C)nn2-c2ccc(OC)cc2)[C@H]3C)cc1 ZINC000299846099 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(Cl)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846105 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(Cl)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846108 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)C(C)(C)CC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846110 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)C(C)(C)CC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846111 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@@H]2CCC[C@H]2c2ccccc2)c(OC)c1 ZINC000299846115 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)(C)C)cc2)C[C@H]2CCC[C@H]2c2ccccc2)c(OC)c1 ZINC000299846116 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C(C)C)[C@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000299846311 KK Annotated Anodyne O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@]13C(=C[C@H]2[C@H]2C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]21)c1ccccc1N3c1ccccc1 ZINC000299846320 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(Cl)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846321 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(Cl)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846323 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000299846325 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C)[C@H]4c4ccc(F)cc4)N3c3ccc(Cl)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000299846327 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(F)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846345 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(F)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846348 KK Annotated Anodyne CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](C(=O)OC)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@@H]1C(C)(C)C ZINC000299846349 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1ccc(C(F)(F)F)c(F)c1 ZINC000299846350 KK Annotated Mild N#CC1(C#N)[C@H](c2ccc(C(F)(F)F)c(F)c2)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000299846351 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](C(=O)OC)[C@]5(CC)C=CCN6CC[C@]43[C@H]65)C[C@@H](C2)[C@@H]1C(C)(C)C ZINC000299846352 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(OC)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846353 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@H]3[C@]45CCN4CC=C[C@](CC)([C@H]45)[C@@H](C(=O)OC)[C@]3(O)C(=O)OC)C[C@@H](C2)[C@@H]1C(C)(C)C ZINC000299846354 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(OC)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846355 KK Annotated Mild CC[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@@H](C(=O)OC)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C[C@@H](C2)[C@@H]1C(C)(C)C ZINC000299846356 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(=O)CNC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846359 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3cc(F)c(Cl)nc3Cl)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846360 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3cc(F)c(Cl)nc3Cl)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846362 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Cc4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846364 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Cc4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846365 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846367 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846368 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C)[C@@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000299846372 KK Annotated Bother COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C)[C@H]4c4ccc(F)cc4)N3c3ccc([N+](=O)[O-])cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C)[C@@H]2c2ccc(F)cc2)N1c1ccc([N+](=O)[O-])cc1 ZINC000299846373 KK Annotated Bother C=C1c2c(C)nn(-c3ccccc3)c2N(C)[C@@]23C[C@H]1[C@@]1(C)c4c(C)nn(-c5ccccc5)c4N(C)[C@@](C)(C[C@@H]12)C3 ZINC000299846392 KK Annotated Mild C=C1c2c(C)nn(-c3ccccc3)c2N(C)[C@@]23C[C@H]1[C@]1(C)c4c(C)nn(-c5ccccc5)c4N(C)[C@@](C)(C[C@@H]12)C3 ZINC000299846394 KK Annotated Mild C/C=C\C(=O)O[C@@H]1/C(C)=C/C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H]([C@H](C)CC)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O)[C@H]3OC/C(=C\C=C\[C@@H]1C)[C@@]23O ZINC000299846401 KK Annotated Anodyne C/C=C\C(=O)O[C@@H]1/C(C)=C/C[C@@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@@H]([C@@H](C)CC)O3)O2)OC(=O)[C@@H]2C=C(C)[C@@H](O)[C@H]3OC/C(=C\C=C\[C@@H]1C)[C@@]23O ZINC000299846403 KK Annotated Anodyne C[C@@H]1[C@H](O)[C@]2(Oc3cc4c(c5c3[C@@H](C[C@@H]5O)[C@H]2C)CC[C@@H]2Cc3nc5c(nc3C[C@@]42C)C[C@@H]2CC[C@@H]3C4=C[C@H]6O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@H](C)[C@@]6(O)[C@]4(C)[C@@H](O)C[C@@H]3[C@]2(C)C5)OC1(C)C ZINC000299846406 KK Annotated Anodyne C[C@@H]1[C@H](O)[C@]2(Oc3cc4c(c5c3[C@@H](C[C@@H]5O)[C@H]2C)CC[C@@H]2Cc3nc5c(nc3C[C@@]42C)C[C@@H]2CC[C@H]3C4=C[C@H]6O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@H](C)[C@@]6(O)[C@]4(C)[C@@H](O)C[C@@H]3[C@]2(C)C5)OC1(C)C ZINC000299846410 KK Annotated Anodyne C[C@@H]1[C@H](O)[C@]2(Oc3cc4c(c5c3[C@@H](C[C@@H]5O)[C@H]2C)CC[C@@H]2Cc3nc5c(nc3C[C@@]42C)C[C@@H]2CC[C@@H]3C4=C[C@H]6O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@H](C)[C@@]6(O)[C@]4(C)[C@@H](O)C[C@H]3[C@]2(C)C5)OC1(C)C ZINC000299846414 KK Annotated Anodyne C[C@@H]1[C@H](O)[C@]2(Oc3cc4c(c5c3[C@@H](C[C@@H]5O)[C@H]2C)CC[C@@H]2Cc3nc5c(nc3C[C@@]42C)C[C@@H]2CC[C@H]3C4=C[C@H]6O[C@@]7(O[C@@](C)(CO)C[C@@H]7O)[C@H](C)[C@@]6(O)[C@]4(C)[C@@H](O)C[C@H]3[C@]2(C)C5)OC1(C)C ZINC000299846416 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@@H]3[C@@H](C=C(Cl)Cl)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846422 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@H]3[C@H](C=C(Cl)Cl)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846424 KK Annotated Anodyne COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@]24C(=C[C@H]3[C@H]3C(=O)N(c5cccc(OC)c5)C(=O)[C@@H]32)c2ccccc2N4c2ccccc2)c1 ZINC000299846426 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846427 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)[C@H]3[C@@H](C=C(Cl)Cl)C3(C)C)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846429 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Nc3cccc(C)c3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846433 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Nc3cccc(C)c3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846435 KK Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(Cl)cc3)[C@H](C)C(=O)[C@@H](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000299846442 KK Annotated Anodyne CCOC(=O)N1CCN(CC(=O)N2[C@H](c3ccc(Cl)cc3)[C@H](C)C(=O)[C@H](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000299846444 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(F)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846447 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(F)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846449 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)/C(=N\OC)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846456 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)/C(=N\OC)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846458 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846462 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846463 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846464 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846466 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)Cc3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846468 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Nc4cccc(C)c4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846497 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Nc4cccc(C)c4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846500 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccc([C@H]3C4=C(C[C@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)O2 ZINC000299846503 KK Annotated Mild O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccc([C@H]3C4=C(C[C@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)O2 ZINC000299846506 KK Annotated Mild O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc([C@H]3C4=C(C[C@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)O2 ZINC000299846509 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846513 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846515 KK Annotated Mild COc1ccc(N2CCN(CC(=O)N/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N4)O6)CC2)cc1 ZINC000299846518 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)/C(=N\OC)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846519 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)/C(=N\OC)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846521 KK Annotated Mild O=C1c2ccccc2C(=O)N1OCCN1N=C2[C@H](SC3=NC(c4ccccc4)(c4ccccc4)C(=O)N32)[C@H]1c1ccc(Cl)cc1 ZINC000299846524 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846533 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(OC)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846536 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299846538 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(F)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846541 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(F)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846543 KK 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)NCCCN1CCN(CCCN)CC1 ZINC000299846548 KK 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)NCCCN1CCN(CCCN)CC1 ZINC000299846550 KK 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)NCCCN1CCN(CCCN)CC1 ZINC000299846553 KK Annotated Anodyne CCc1ccc(N2CCN(CC(=O)N/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N4)O6)CC2)cc1 ZINC000299846563 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846569 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846572 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299846573 KK Annotated Reactive CC1=CC(C)=[N+]2C1=C(CCCOC(=O)CCCn1nc(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)c3ccccc31)c1c(C)cc(C)n1[B-]2(F)F ZINC000299846593 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846605 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(C)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846607 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(Cl)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846612 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(Cl)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846614 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)CC2=C1C(c1cccc([C@H]3C4=C(C[C@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)c1)C1=C(C[C@H](c3ccccc3)CC1=O)O2 ZINC000299846617 KK Annotated Mild O=C1C[C@H](c2ccccc2)CC2=C1C(c1cccc([C@H]3C4=C(C[C@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)O2 ZINC000299846620 KK Annotated Mild O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc([C@H]3C4=C(C[C@H](c5ccccc5)CC4=O)OC4=C3C(=O)C[C@H](c3ccccc3)C4)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)O2 ZINC000299846624 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)/C(=N\OC)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846638 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)/C(=N\OC)c3ccccc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846641 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Nc4ccc(Cl)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846643 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)Nc4ccc(Cl)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846646 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(Cl)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846660 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(Cl)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846661 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4cc(F)c(Cl)nc4Cl)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846662 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4cc(F)c(Cl)nc4Cl)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846663 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)/C(=N\OC)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846668 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)/C(=N\OC)c4ccccc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846669 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(OC)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846671 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)c4ccc(OC)cc4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846672 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@H](C)[C@H]1C[C@@]3(C[C@@]4(C)C[C@H]3[C@]1(C)c1c(C)nn(-c3ccccc3)c1N4C)N2C ZINC000299846674 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@H](C)[C@H]1C[C@@]3(C[C@@]4(C)C[C@H]3[C@@]1(C)c1c(C)nn(-c3ccccc3)c1N4C)N2C ZINC000299846675 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@@H](C)[C@H]1C[C@@]3(C[C@@]4(C)C[C@H]3[C@]1(C)c1c(C)nn(-c3ccccc3)c1N4C)N2C ZINC000299846676 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2c1[C@H](C)[C@H]1C[C@@]3(C[C@@]4(C)C[C@H]3[C@@]1(C)c1c(C)nn(-c3ccccc3)c1N4C)N2C ZINC000299846677 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)C(C)(C)CC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846683 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)C(C)(C)CC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846684 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccccc3OC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846685 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccccc3OC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846686 KK Annotated Anodyne CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)CC(C)(C)C)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846689 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC(=O)CC(C)(C)C)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846690 KK Annotated Anodyne CCO[Si](OCC)(OCC)O[C@@H](C(=O)C[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000299846698 KK Annotated Reactive CCCCC[C@@H](C)N(Cc1ccc(O[C@H](C)CCC)cc1)C(NC1=CC=CCC1(OC)OC)=C1C(=O)OC(C)(C)OC1=O ZINC000299846699 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(O[C@H](C)CCC)cc1)C(NC1=CC=CCC1(OC)OC)=C1C(=O)OC(C)(C)OC1=O ZINC000299846700 KK Annotated Anodyne CCCCC/C(N[C@H](C)CCCN(CC)CC)=C1\C(=O)[C@@H](CCSC)N(C(=O)C[C@H](C)CC(C)(C)C)C1=O ZINC000299846702 KK Annotated Mild CCCCC/C(N[C@H](C)CCCN(CC)CC)=C1\C(=O)[C@H](CCSC)N(C(=O)C[C@H](C)CC(C)(C)C)C1=O ZINC000299846704 KK Annotated Mild CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(F)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846705 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OC(=O)c3ccc(F)cc3)[C@@H](C)/C=C/C=C3\CO[C@@H]4/C(=N/OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846708 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NC[C@H]2COCCOCCOCCOCCO2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299846748 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NC[C@@H]2COCCOCCOCCOCCO2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299846749 KK Annotated Anodyne CC[C@H](C)C1=C(O)[N@@+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000299846776 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(=O)C(C)(C)C)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299846874 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000299846944 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000299846946 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@H](OC3COC3)CC2)CC1 ZINC000299846953 KK Annotated Mild CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1CCC(CC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCN(CCCN)CCCN ZINC000299846961 KK Annotated Anodyne C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000299846962 KK Annotated Mild CC1(C)[C@H]2CC[C@@H](C2)[C@H]1CCC(CC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C)NCCCN(CCCN)CCCN ZINC000299846963 KK Annotated Anodyne C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]2C)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000299846965 KK Annotated Mild 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)NCCCN(CCCN)CCCN ZINC000299846966 KK Annotated Anodyne C[C@@H]1/C(=N/N=C2\C[C@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]2C)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000299846967 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(F)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299846972 KK Annotated Reactive COC(=O)CC[C@@]1(C)[C@H]([C@H](C)COC(C)=O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H](C(C)C)CC[C@]3(C(=O)NCCCCCCCNC(C)=O)CC[C@]12C ZINC000299846985 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299846987 KK Annotated Reactive COC(=O)CC[C@@]1(C)[C@H]([C@@H](C)COC(C)=O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H](C(C)C)CC[C@]3(C(=O)NCCCCCCCNC(C)=O)CC[C@]12C ZINC000299846989 KK 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)NCCCNCCCNCCCN ZINC000299847004 KK 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)NCCCNCCCNCCCN ZINC000299847006 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC3(C(F)(F)F)CCC3)sc2C(=O)O)[C@@H]2CC[C@@H](Oc3ccc(=O)[nH]n3)CC2)CC1 ZINC000299847007 KK Annotated Mild 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)NCCCNCCCNCCCN ZINC000299847008 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C(F)(F)F)sc2C(=O)O)[C@@H]2CC[C@@H](Oc3ccc(=O)[nH]n3)CC2)CC1 ZINC000299847009 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCCC3)cc([C@@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000299847012 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCCC3)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000299847014 KK Annotated Mild C#CCN1CCC2=C(C1)c1c(OC(=O)[C@H](C)CCN3CCCCC3)cc([C@H](C)[C@@H](C)CCCCC)cc1OC2(C)C ZINC000299847016 KK Annotated Mild C=C(O)C[C@H]1[C@@H](C(=O)O)[C@@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@H]6c8c5c4c(c-%14c8[C@H]%15[C@@H]%18[C@@H]%206)[C@@H]2[C@H]%13%10)[C@]73[C@@H]1C(=O)O ZINC000299847023 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299847036 KK Annotated Reactive C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@H](Oc3ccccn3)CC2)CC1 ZINC000299847047 KK Annotated Mild COC[C@H](C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(Oc2ncc(CCn3nccn3)cc2C(F)(F)F)c(F)c1 ZINC000299847066 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@H](Oc3cccnc3)CC2)CC1 ZINC000299847084 KK 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](Oc3cccnc3)CC2)CC1 ZINC000299847085 KK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@](O)(CO[C@H]3CCOC3)CC2)CC1 ZINC000299847097 KK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@@](O)(CO[C@H]3CCOC3)CC2)CC1 ZINC000299847099 KK Annotated Mild COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@@H]4S(=O)(=O)c4ccccc4)cc3)[C@H]2S(=O)(=O)c2ccccc2)cc1 ZINC000299847111 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC3(C(F)(F)F)CC3)sc2C(=O)O)[C@@H]2CC[C@@H](Oc3ccc(=O)[nH]n3)CC2)CC1 ZINC000299847123 KK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2ccc(Oc3ccccc3C(F)(F)F)cc2C(=O)O)C2CCN(C)CC2)CC1 ZINC000299847130 KK Annotated Anodyne CC(=O)NCCCCCCCNC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@](C)(CCC(=O)O)[C@H]([C@H](C)COC(=O)CC(C)(C)C(=O)O)CC[C@@]3(C)[C@]1(C)CC2 ZINC000299847133 KK Annotated Anodyne CC(=O)NCCCCCCCNC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@](C)(CCC(=O)O)[C@H]([C@@H](C)COC(=O)CC(C)(C)C(=O)O)CC[C@@]3(C)[C@]1(C)CC2 ZINC000299847134 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](OC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299847153 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299847213 KK Annotated Reactive COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]4[C@H](C[C@@]1(C)[C@@H]3CC[C@H]2C(C)(C)O)O[C@@]1(C[C@@H](C)C(=O)O1)C[C@H]4C ZINC000299847216 KK Annotated Anodyne COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]4[C@H](C[C@@]1(C)[C@@H]3CC[C@H]2C(C)(C)O)O[C@@]1(C[C@H](C)C(=O)O1)C[C@H]4C ZINC000299847217 KK Annotated Anodyne COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@@H]4[C@H](C[C@@]1(C)[C@@H]3CC[C@@H]2C(C)(C)O)O[C@@]1(C[C@H](C)C(=O)O1)C[C@H]4C ZINC000299847218 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)N1CCC[N@+](C)(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000299847247 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)N1CCC[N@@+](C)(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000299847248 KK Annotated Mild CCOP(=O)(OCC)[C@@H](CC(C)C)NC(=O)[C@@]1(O)[C@H](O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7CN(CCc8c6[nH]c6ccccc86)C[C@](O)(CC)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000299847253 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)[C@H]1CCC(=O)O1)[C@@H](OC(=O)[C@H]1CCC(=O)O1)C(C)(C)OC(=O)[C@@H]1CCC(=O)O1)C1=C2C[C@H](OC(=O)[C@@H]3CCC(=O)O3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000299847254 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)[C@@]1([N+](=O)[O-])C=C3c4ccccc4N(c4ccccc4)[C@]32[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21 ZINC000299847255 KK Annotated Bother C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)C2CCN(C(=O)c3cccnc3)CC2)CC1 ZINC000299847263 KK Annotated Mild COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@@H]4S(=O)(=O)c4ccc(C)cc4)cc3)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000299847276 KK Annotated Anodyne C=CC[N@@+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000299847298 KK Annotated Mild COc1ccc(C2=NO[C@@H](c3ccc([C@H]4ON=C(c5ccc(OC)cc5)[C@@H]4S(=O)(=O)c4ccc(Cl)cc4)cc3)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000299847310 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(/C)[C@@H](Cl)C(Br)Br)[C@](C)(Br)CCl ZINC000299847347 KK Annotated Reactive 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(=O)NCCCCCCCNC(C)=O)CC[C@]32C)[C@@]1(C)CCC(=O)OC ZINC000299847354 KK Annotated Mild COC[C@H](C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1cc(F)c(Oc2ncc(CCn3nccn3)cc2C(F)(F)F)cc1C(=O)O ZINC000299847358 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@@H](OC)[C@@H](NC)[C@@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299847402 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@H](OC3CCOCC3)CC2)CC1 ZINC000299847419 KK 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](Oc3ccc(=O)[nH]n3)CC2)CC1 ZINC000299847435 KK 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](Oc3ccc(=O)[nH]n3)CC2)CC1 ZINC000299847437 KK Annotated Mild COc1ccc(C(=O)Nc2ccc(Oc3ccc(N(C(=O)[C@@H]4CC[C@@H](C)CC4)C(C)C)c(C(=O)O)c3)cc2)cc1 ZINC000299847448 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@@](C)(O)[C@@H](OC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299847472 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000299847476 KK Annotated Mild N#CC1(C#N)[C@H](c2ccc(OC(F)(F)F)cc2)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000299847484 KK 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](Oc3nccs3)CC2)CC1 ZINC000299847486 KK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)CCO)sc2C(=O)O)[C@@H]2CC[C@@H](O[C@H]3CCOC3)CC2)CC1 ZINC000299847496 KK Annotated Mild C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)CCO)sc2C(=O)O)[C@@H]2CC[C@@H](O[C@@H]3CCOC3)CC2)CC1 ZINC000299847498 KK Annotated Mild CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@@](C)(OC)[C@@H](OC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299847512 KK Annotated Anodyne C/C=C1/CN2CC[C@@]34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)C[C@]8(CC)CCCN9CC[C@@]67[C@@H]98)=CC5=N[C@@]23CC[C@H]1[C@@H]4C(=O)OC ZINC000299847539 KK Annotated Mild C/C=C1/CN2CC[C@@]34C5=CC(=O)C(c6cc7c(cc6OC)N(C)C6=C(C(=O)OC)C[C@]8(CC)CCCN9CC[C@@]67[C@H]98)=CC5=N[C@@]23CC[C@H]1[C@@H]4C(=O)OC ZINC000299847542 KK 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](Oc3ccncn3)CC2)CC1 ZINC000299847543 KK 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[C@@H]3CCOC3)CC2)CC1 ZINC000299847544 KK 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[C@H]3CCOC3)CC2)CC1 ZINC000299847546 KK Annotated Mild C=C(C=O)CCC[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C ZINC000299847655 KK Annotated Reactive C=C(C=O)CCC[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C ZINC000299847656 KK Annotated Reactive CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H]2C)S1 ZINC000299847674 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@H]2C)S1 ZINC000299847676 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)[C@H]2C)S1 ZINC000299847677 KK Annotated Anodyne Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Br)cc2)N[C@@H]3c2ccc(Br)cc2)cc1 ZINC000299847714 KK Annotated Reactive Nc1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Br)cc2)N[C@H]3c2ccc(Br)cc2)cc1 ZINC000299847715 KK Annotated Reactive CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@H]4CCCNC4)[C@@H]3CC[C@@H]2C1 ZINC000299847718 KK Annotated Reactive CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@@H]4OC)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299847736 KK Annotated Anodyne CC(=O)NC1=NN(C(C)=O)[C@]2(C[C@@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)S1 ZINC000299847748 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299847777 KK Annotated Anodyne C[C@@H]1CC[C@@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@@H]2CC[C@@H](Oc3ccc4nccn4n3)CC2)CC1 ZINC000299847860 KK Annotated Mild CC(C)N(C(=O)[C@@H]1CC[C@@H](C)CC1)c1cc(F)c(Oc2ncc(CCn3nccn3)cc2C(F)(F)F)cc1C(=O)O ZINC000299847897 KK Annotated Anodyne Cc1cc(OCc2cnc(Oc3ccc(N(C(=O)[C@@H]4CC[C@@H](C)CC4)C(C)C)c(C(=O)O)c3)c(C(F)(F)F)c2)c2ccccc2n1 ZINC000299847924 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\[C@H](OC(C)C)O[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299848001 KK Annotated Anodyne CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\[C@@H](OC(C)C)O[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299848005 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@@H]4C[C@@](C)(OC)[C@@H](OC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299848006 KK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@@H]1O[C@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000299848011 KK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000299848017 KK Annotated Anodyne CC[C@H](C)[C@@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@H](NC)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299848055 KK Annotated Anodyne C=C(C=O)CCC[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C ZINC000299848078 KK Annotated Reactive C=C(C=O)CCC[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C ZINC000299848081 KK Annotated Reactive C[C@@H]1C[C@@H](C)CN(c2nc(-c3ccc(NCC(=O)Nc4nc5ccc(I)cc5s4)cc3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)C1 ZINC000299848140 KK Annotated Anodyne Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/N4[C@H](C)[C@H](C)C(=O)N4c4ccccc4)c3o2)oc2c(/N=N/N3[C@@H](C)[C@H](C)C(=O)N3c3ccccc3)c(O)ccc12 ZINC000299848153 KK Annotated Clean Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/N4[C@H](C)[C@@H](C)C(=O)N4c4ccccc4)c3o2)oc2c(/N=N/N3[C@H](C)[C@H](C)C(=O)N3c3ccccc3)c(O)ccc12 ZINC000299848156 KK Annotated Clean Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/N4[C@H](C)[C@H](C)C(=O)N4c4ccccc4)c3o2)oc2c(/N=N/N3[C@H](C)[C@H](C)C(=O)N3c3ccccc3)c(O)ccc12 ZINC000299848160 KK Annotated Clean C=C1[C@@H]2[C@@H](OC(C)=O)[C@H]3C[C@@H](OC(=O)/C=C/c4ccccc4)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O)C3(C)C ZINC000299848189 KK Annotated Mild C=C1[C@@H]2[C@@H](OC(C)=O)[C@H]3C[C@@H](OC(=O)/C=C/c4ccccc4)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)C[C@H]1OC(C)=O)C3(C)C ZINC000299848193 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@@H]5[C@H](C[C@@H]4[C@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@@H]1Br)[C@H]5C ZINC000299848196 KK Annotated Reactive in-vitro C=C1[C@@H]2[C@@H](OC(C)=O)[C@H]3C[C@@H](OC(=O)/C=C/c4ccccc4)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)C[C@H]1OC(C)=O)C3(C)C ZINC000299848197 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000299848200 KK Annotated Reactive in-vitro C=C1[C@@H]2[C@@H](OC(C)=O)[C@H]3C[C@@H](OC(=O)/C=C/c4ccccc4)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(C)=O)C3(C)C ZINC000299848201 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@H]6Br)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 ZINC000299848203 KK Annotated Reactive in-vitro CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@@H]5[C@H](C[C@@H]4[C@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@H]1Br)[C@H]5C ZINC000299848207 KK Annotated Reactive in-vitro O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000299848233 KK Annotated Anodyne C[C@H](CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000299848246 KK Annotated Anodyne C[C@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000299848253 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299848256 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000299848261 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299848265 KK Annotated Anodyne C=C1[C@@H]2C[C@H]3C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(=O)/C=C/c1ccccc1)C3(C)C ZINC000299848368 KK Annotated Mild C=C1[C@@H]2C[C@H]3C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)C[C@H]1OC(=O)/C=C/c1ccccc1)C3(C)C ZINC000299848373 KK Annotated Mild C=C1[C@@H]2C[C@H]3C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)C[C@H]1OC(=O)/C=C/c1ccccc1)C3(C)C ZINC000299848377 KK Annotated Mild C=C1[C@@H]2C[C@H]3C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1OC(=O)/C=C/c1ccccc1)C3(C)C ZINC000299848381 KK Annotated Mild O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000299848467 KK Annotated Anodyne CC(=O)Nc1ccc2nc(NC(=O)CNc3ccc(-c4nc(N5C[C@H](C)C[C@@H](C)C5)nc(N5C[C@H](C)C[C@@H](C)C5)n4)cc3)sc2c1 ZINC000299848608 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@@H]4C(=NN(C(C)C)[C@@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000299848870 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H]4C(=NN(C(C)C)[C@H]4c4ccc(F)cc4)N3c3ccc(C)cc3)c2)cc1[C@@H]1S[C@@H]2C(=NN(C(C)C)[C@@H]2c2ccc(F)cc2)N1c1ccc(C)cc1 ZINC000299848875 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1ccc(Cl)cc1C(F)(F)F ZINC000299848878 KK Annotated Mild N#CC1(C#N)[C@H](c2ccc(Cl)cc2C(F)(F)F)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccco1 ZINC000299848880 KK Annotated Mild CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299848896 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN)c2nccc(CC)c12 ZINC000299848898 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299848900 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)[C@H]1[C@H](c2ccc(O)cc2)[C@H](C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@H]1c1ccc(O)cc1 ZINC000299848936 KK Annotated Anodyne N#CC1(C#N)[C@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1cc(C(F)(F)F)ccc1F ZINC000299849066 KK Annotated Mild N#CC1(C#N)[C@@H](c2ccco2)C([N+](=O)[O-])=C2N(Cc3ccc(Cl)nc3)CCN2[C@H]1c1cc(C(F)(F)F)ccc1F ZINC000299849067 KK Annotated Mild CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299849070 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299849071 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)[C@H](C)CCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000299849075 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)[C@H](C)CCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCCS1 ZINC000299849077 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299849126 KK Annotated Anodyne CCCCOc1c(OC)cc(N[C@H](C)CCCN[C@H](C)CCCN[C@H](C)CCCN)c2nccc(CC)c12 ZINC000299849128 KK Annotated Anodyne CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299849150 KK Annotated Reactive CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000299849152 KK Annotated Reactive CC(C)[C@H](O)CC[C@H](C)[C@@H](O)CC[C@@H](C)[C@H](CC[C@@H](O)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C)OCCCCc1cn(CCCCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000299849162 KK Annotated Anodyne CC(C)[C@@H](O)CC[C@H](C)[C@@H](O)CC[C@@H](C)[C@H](CC[C@@H](O)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C)OCCCCc1cn(CCCCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000299849164 KK Annotated Anodyne CC(C)[C@H](O)CC[C@H](C)[C@H](O)CC[C@H](C)[C@H](O)CC[C@H](OCCCCc1cn(CCCCCC(=O)N[C@@H](CO)C(N)=O)nn1)[C@H](C)CC[C@H](O)[C@H](C)CC[C@@H](O)C(C)C ZINC000299849165 KK Annotated Anodyne CC(C)[C@@H](O)CC[C@@H](C)[C@@H](O)CC[C@@H](C)[C@H](CC[C@@H](O)[C@@H](C)CC[C@@H](O)[C@@H](C)CC[C@@H](O)C(C)C)OCCCCc1cn(CCCCCC(=O)N[C@@H](CO)C(N)=O)nn1 ZINC000299849166 KK Annotated Anodyne C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(O[C@H]5CC[C@H]6[C@@H]7CC(=O)c8cc(OC(=O)c9ccccc9)ccc8[C@H]7CC[C@]56C)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000299849216 KK Annotated Mild CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)c5ccncc5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849237 KK Annotated Anodyne CCCNCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000299849240 KK Annotated Clean CO[C@H]1O[C@@]23C=C[C@@H]4[C@]1(CC[C@@]1(C)[C@@H]([C@@H](C)C[C@H](C=C(C)C)OC)CC[C@]41C)[C@@H]2CC[C@H](O)C3(C)C ZINC000299849283 KK Annotated Anodyne CO[C@H]1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O)C3(C)C ZINC000299849286 KK Annotated Anodyne CO[C@@H](C=C(C)C)C[C@H](C)[C@H]1CC[C@]2(C)[C@@H]3C=C[C@]45O[C@@H](OC)[C@@]3(CC[C@@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000299849289 KK Annotated Anodyne CO[C@@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45O[C@@H](OC)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C ZINC000299849291 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849323 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCN(C)C)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849335 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849583 KK Annotated Anodyne Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(C[C@@H]4CC[C@@H](C(=O)O)CC4)C3=O)c3ccccc32)cc1 ZINC000299849587 KK Annotated Clean CO[C@@H]1[C@@H](OC)[C@@H](O[C@H]2/C=C\C=C\c3coc(n3)[C@H](C)[C@H](OC)C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C(C)=C/[C@@H]2C)O[C@H](C)[C@H]1O ZINC000299849628 KK Annotated Anodyne CO[C@@H]1[C@@H](OC)[C@@H](O[C@@H]2/C=C\C=C\c3coc(n3)[C@H](C)[C@H](OC)C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C(C)=C/[C@@H]2C)O[C@H](C)[C@H]1O ZINC000299849631 KK Annotated Anodyne CO[C@@H]1[C@@H](OC)[C@@H](O[C@@H]2/C=C\C=C\c3coc(n3)[C@@H](C)[C@H](OC)C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C(C)=C/[C@@H]2C)O[C@H](C)[C@H]1O ZINC000299849635 KK Annotated Anodyne CO[C@@H]1[C@@H](OC)[C@@H](O[C@H]2/C=C\C=C\c3coc(n3)[C@@H](C)[C@H](OC)C[C@H](O)/C=C/C=C/C=C\[C@H](C)[C@H]([C@H](C)[C@H](O)C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C(C)=C/[C@@H]2C)O[C@H](C)[C@H]1O ZINC000299849638 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849647 KK Annotated Anodyne COc1ccc(-c2c3ccc(n3)c([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@H]43)c3ccc([nH]3)c(-c3ccc(OC)cc3)c3ccc(n3)c([C@H]3O[C@@H]4OC(C)(C)O[C@@H]4[C@H]4OC(C)(C)O[C@H]43)c3ccc2[nH]3)cc1 ZINC000299849664 KK Annotated Bother CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)c5ccccn5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849674 KK Annotated Anodyne C[C@]12CC=C3C[C@@H](c4ccccc4)OC[C@]3(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2C=C[C@]23C[C@@]21CC[C@H]3[C@H]1C(=O)O[C@@]2(C[C@@](C)(OC(=O)C[C@@H](O)c3ccc(O)cc3)CO2)[C@@H]1O ZINC000299849677 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@@H]5CN6CCC5CC6)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849753 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@H]5CN6CCC5CC6)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849755 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)[C@@H]5CCCN5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849757 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCc5ccccn5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849781 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)Cc5ccccn5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849783 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)[C@H]5CCCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849784 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)[C@@H]5CCCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849785 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c5c(c(O)c4c3C2=O)CN(C)C(=N5)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000299849810 KK Annotated Clean CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849905 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849911 KK Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)[C@@]12C(=O)Nc1ccc(F)cc12 ZINC000299849937 KK Annotated Anodyne CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)[C@]12C(=O)Nc1ccc(F)cc12 ZINC000299849938 KK Annotated Anodyne CC(=O)O[C@@H]([C@@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)C5(C)COC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299849967 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO[C@@]1(C)O[C@@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2O1 ZINC000299850054 KK Annotated Mild C[C@H]([C@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]12C ZINC000299850116 KK Annotated Mild C[C@H]([C@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000299850119 KK Annotated Mild C[C@H]([C@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000299850122 KK Annotated Mild C[C@H]([C@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000299850126 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)/C=C/c5ccccc5)[C@@H]4[C@H]1OC(=O)/C=C/c1ccccc1)C(=O)[C@H]3C)C2(C)C ZINC000299850145 KK Annotated Mild Nc1nccc(-c2cn(S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(Br)cc23)n1 ZINC000299850198 KK Annotated Anodyne O=C(/C=C/c1ccc(Cl)cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299850578 KK Annotated Mild O=[N+]([O-])c1ccc(C2=C[C@@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)NC(=S)N2)cc1 ZINC000299850646 KK Annotated Bother O=[N+]([O-])c1ccc(C2=C[C@H](c3ccc(OCc4csc(-c5ccccc5)n4)cc3)NC(=S)N2)cc1 ZINC000299850648 KK Annotated Bother C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(=O)Cc1cccc3ccccc13)C2(C)C ZINC000299850920 KK Annotated Mild CCCC[C@H](Oc1cc(O)c(C(=O)O)cc1C#Cc1ccccc1OC(F)(F)F)C(=O)NC1CCCCC1 ZINC000299850999 KK Annotated Mild CCCC[C@@H](Oc1cc(O)c(C(=O)O)cc1C#Cc1ccccc1OC(F)(F)F)C(=O)NC1CCCCC1 ZINC000299851002 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)Cc4cccc5ccccc45)[C@@H]3[C@H]1OC(=O)Cc1cccc3ccccc13)C2(C)C ZINC000299851036 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](O)[C@@H]3[C@H]1OC(=O)Cc1cccc3ccccc13)C2(C)C ZINC000299851061 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)c5ccccc5)[C@@H]4[C@H]1OC(=O)c1ccccc1)C(=O)[C@@H]3C)C2(C)C ZINC000299851362 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)c5ccccc5)[C@@H]4[C@H]1OC(=O)c1ccccc1)C(=O)[C@H]3C)C2(C)C ZINC000299851363 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)Oc3ccc(C#N)cc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nccnc6[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299851411 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)CCc5ccccc5)[C@@H]4[C@H]1OC(=O)CCc1ccccc1)C(=O)[C@@H]3C)C2(C)C ZINC000299851579 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)CCc5ccccc5)[C@@H]4[C@H]1OC(=O)CCc1ccccc1)C(=O)[C@H]3C)C2(C)C ZINC000299851580 KK Annotated Mild COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3cccc4ccccc34)c2)c(OC2Cc3ccccc3C2)c1 ZINC000299851629 KK Annotated Bother C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)CCc4ccccc4)[C@@H]3[C@H]1OC(=O)CCc1ccccc1)C2(C)C ZINC000299851707 KK Annotated Mild CCCCCC/C=C\CCCCCCCCCC1=C(c2c(O)cc3c(c2/C=C/c2ccc(O)cc2)[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)C(=O)C=C(OC)C1=O ZINC000299851791 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000299851962 KK Annotated Mild O=C(/C=C/c1cccc(Cl)c1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299851988 KK Annotated Mild COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OCc3ccccc3)c2)c(OC2Cc3ccccc3C2)c1 ZINC000299852081 KK Annotated Bother Cc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2)cc1 ZINC000299852119 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]3[C@H]1OC(=O)Cc1cccc3ccccc13)C2(C)C ZINC000299852181 KK Annotated Mild COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC3Cc4ccccc4C3)c2)c(OCc2ccccc2)c1 ZINC000299852227 KK Annotated Bother O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299852326 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)Cc4ccccc4)[C@@H]3[C@H]1OC(=O)Cc1ccccc1)C2(C)C ZINC000299852342 KK Annotated Mild O=C(/C=C/c1ccc(OC(F)F)cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299852511 KK Annotated Mild C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)/C=C/c4ccccc4)[C@@H]3[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000299852569 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)Cc5ccccc5)[C@@H]4[C@H]1OC(=O)Cc1ccccc1)C(=O)[C@@H]3C)C2(C)C ZINC000299852749 KK Annotated Mild C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)Cc5ccccc5)[C@@H]4[C@H]1OC(=O)Cc1ccccc1)C(=O)[C@H]3C)C2(C)C ZINC000299852750 KK Annotated Mild O=C(/C=C/c1ccc(Br)cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299852812 KK Annotated Mild O=C(/C=C/c1ccccc1Cl)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1 ZINC000299852832 KK Annotated Mild COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(OC3Cc4ccccc4C3)c2)c(OCC(C)C)c1 ZINC000299852856 KK Annotated Bother C=C1CC[C@H]2[C@@H]([C@@H]3O[C@]4(C[C@H](C)[C@H](OC(=O)Cc5cccc6ccccc56)[C@@H]4[C@H]1OC(=O)Cc1cccc4ccccc14)C(=O)[C@H]3C)C2(C)C ZINC000299852890 KK Annotated Mild CCN(CC)c1cc(-c2cc(C(=O)NCC(C)(C)O)ccc2Cl)ccc1N(C)C(=O)c1c(F)cccc1Cl ZINC000299853041 KK Annotated Anodyne COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299853166 KK Annotated Reactive COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000299853167 KK Annotated Reactive CC(C)NC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000299853975 KK Annotated Anodyne c1cc2[nH]c(CCCCc3nc4cc(C5=N[C@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000299854270 KK Annotated Anodyne CC1(C)CCc2c(ccc(C(=O)/C=C/c3ccc(OCc4cn(-c5ccc(Br)cc5)nn4)cc3)c2O)O1 ZINC000299854508 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2sc(-c3ccc(-c4ccc5oc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c4)cc3)cc2[nH]1)C(C)C ZINC000299854561 KK Annotated Anodyne CCN(CC)CC(C)(C)C/N=C(/Nc1c2ccc(Cl)cc2nc2ccc(OC)nc12)c1ccccc1 ZINC000299854577 KK Annotated Mild O=c1c(OCc2nnn([C@@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Br)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000299854582 KK Annotated Anodyne CC1=C(O)[C@H](C)O/C(=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)C1=O ZINC000299854618 KK Annotated Mild CC1=C(O)[C@H](C)O/C(=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@@H](O)[C@H](C)CCc2ccccc2)C1=O ZINC000299854621 KK Annotated Mild CC1=C(O)[C@H](C)O/C(=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@@H](O)[C@@H](C)CCc2ccccc2)C1=O ZINC000299854625 KK Annotated Mild CC1=C(O)[C@H](C)O/C(=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)C1=O ZINC000299854627 KK Annotated Mild CCNC(=O)ON(C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000299854631 KK Annotated Mild CCNC(=O)ON(C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000299854633 KK Annotated Mild CC(=O)O[C@@]1(C)CO[C@@]2(C1)OC(=O)[C@H]([C@@H]1CC[C@]34C[C@]13C=C[C@@H]1[C@@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3[C@@H](O)C(=O)[C@]14C)[C@H]2O ZINC000299854674 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCNC3CCCCC3)O5)ccc2OC)c1 ZINC000299854676 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCNC3CCCCC3)O5)ccc2OC)c1 ZINC000299854679 KK Annotated Anodyne CCc1ccccc1-n1cc(COc2ccc(/C=C/C(=O)c3ccc4c(c3O)CCC(C)(C)O4)cc2)nn1 ZINC000299854702 KK Annotated Mild O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)NN=C(c5ccccn5)c5ccccn5)ccc24)N(C3)C1 ZINC000299854712 KK Annotated Reactive O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000299854756 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(CC(C)(C)O)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299854794 KK Annotated Anodyne C1=C[C@H]2N=C1/C(c1ccccc1)=C1/C=C[C@@H](N1)/C(c1ccccc1)=C1/C=CC(=N1)/C(c1ccccc1)=c1/cc/c([nH]1)=C\2c1ccccc1 ZINC000299854822 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(CCOC)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299854839 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)OCc3scnc3C)n2)c1 ZINC000299854855 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCCCC3CCCCC3)C2=N)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000299854933 KK Annotated Anodyne Clc1ccc(/C2=C3\C=C[C@@H](N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(Cl)cc3)=c3/cc/c([nH]3)=C(\c3ccc(Cl)cc3)[C@H]3C=CC2=N3)cc1 ZINC000299854959 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299854978 KK Annotated Reactive C[C@]12CC=C3C[C@@H](c4ccccc4)OC[C@]3(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2C=C[C@]23C[C@@]21CC[C@H]3[C@@H]1C[C@]2(C[C@@](C)(OC(=O)C[C@@H](O)c3ccc(O)cc3)CO2)OC1=O ZINC000299855023 KK Annotated Anodyne O=C(O)COc1cccc2c1CC[C@@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 ZINC000299855042 KK Annotated Anodyne O=C(O)COc1cccc2c1CC[C@H](Cn1ncc(-c3cccc(F)c3F)c(-c3ccccc3)c1=O)C2 ZINC000299855044 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000299855060 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)CC)[C@@]2(C)COC(=O)CC)[C@@H]1C[C@H](OC(=O)CC)c1ccoc1 ZINC000299855067 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)CC)[C@@]2(C)COC(=O)CC)[C@@H]1C[C@@H](OC(=O)CC)c1ccoc1 ZINC000299855070 KK Annotated Mild COc1ccc([C@@H]2CC3=CC[C@@]4(C)[C@@H](CC(=O)[C@]5(C)[C@@H]4C=C[C@]46C[C@@]45CC[C@H]6[C@@H]4C[C@]5(C[C@@](C)(OC(=O)C[C@@H](O)c6ccc(O)cc6)CO5)OC4=O)[C@@]3(C)CO2)cc1 ZINC000299855076 KK Annotated Anodyne COC(=O)[C@@H](Cc1cc(C)co1)[C@@H]1CC[C@]23C[C@]12C=C[C@@H]1[C@@]2(C)CC=C4C[C@@H](c5ccccc5)OC[C@]4(C)[C@@H]2CC(=O)[C@]13C ZINC000299855084 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccccc3C(F)(F)F)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299855092 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccccc3C(F)(F)F)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299855094 KK Annotated Anodyne COC(=O)[C@@H](C[C@@]1(OC)C[C@](C)(O)CO1)[C@@H]1CC[C@]23C[C@]12C=C[C@@H]1[C@@]2(C)CC=C4C[C@@H](c5ccccc5)OC[C@]4(C)[C@@H]2CC(=O)[C@]13C ZINC000299855097 KK Annotated Anodyne O=C(O)c1cc(-c2ccc(CNC(=S)c3ccc(-c4nc(=O)o[nH]4)cc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000299855108 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C)cc3)C[C@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855113 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCN(Cc3ccc(C)cc3)C[C@@H]2C)c2ccc(C)c(Cl)c2)CC1 ZINC000299855115 KK Annotated Anodyne CC1(C)CCc2cc(C(=O)/C=C/c3ccc(OCc4cn(-c5ccc(Br)cc5)nn4)cc3)c(O)cc2O1 ZINC000299855116 KK Annotated Mild CCC1=C[C@H]2CN(/C=C(/C(=O)OC)Cc3c([nH]c4ccc(Br)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000299855313 KK Annotated Anodyne COc1c(CNC[C@H](O)c2ccc(O)c3nc(O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1C ZINC000299855334 KK Annotated Anodyne C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)[C@H]1OC(=O)C(O)=C1O ZINC000299855348 KK Annotated Reactive C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)[C@@H]1OC(=O)C(O)=C1O ZINC000299855354 KK Annotated Reactive CCCC[C@H]1CN(CCCC[C@H]2CNC(=N)N2CCc2cccc(C(F)(F)F)c2)C(=N)N1CCCCC1CCCCC1 ZINC000299855448 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCC(=O)OCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299855462 KK Annotated Reactive C[C@]12CC=C3C[C@@H](c4ccccc4)OC[C@]3(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2C=C[C@]23C[C@@]21CC[C@H]3[C@@H]1C[C@]2(C[C@@](C)(OC(=O)O)CO2)OC1=O ZINC000299855470 KK Annotated Anodyne CC1=C(/C=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)O[C@@](C)(O)C1=O ZINC000299855479 KK Annotated Mild CC1=C(/C=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)O[C@@](C)(O)C1=O ZINC000299855481 KK Annotated Mild CC1=C(/C=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)CCc2ccccc2)O[C@](C)(O)C1=O ZINC000299855483 KK Annotated Mild CC1=C(/C=C/C[C@H](O)/C=C\C=C\C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)CCc2ccccc2)O[C@](C)(O)C1=O ZINC000299855485 KK Annotated Mild COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299855506 KK Annotated Bother COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299855509 KK Annotated Bother COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4N4CCSCC4)nn3)on2)cc(OC)c1OC ZINC000299855520 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCCN3CCCC3)O5)ccc2OC)c1 ZINC000299855550 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCCN3CCCC3)O5)ccc2OC)c1 ZINC000299855551 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299855552 KK Annotated Reactive COc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299855573 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3cccc(F)c3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299855574 KK Annotated Anodyne CC1(C)CCc2cc(C(=O)/C=C/c3ccc(OCc4cn(Cc5ccc([N+](=O)[O-])cc5)nn4)cc3)c(O)cc2O1 ZINC000299855577 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N2CCOCC2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299855616 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3C)cc2)[nH]1)C(C)C ZINC000299855625 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@]3(C[C@]5(O)[C@H]67)[C@@H]1O ZINC000299855656 KK Annotated Mild O=C(/C=C(\O)C(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O ZINC000299855722 KK Annotated Mild O=C(/C=C(\O)C(=O)N1CCN(c2ccc(-n3cccn3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O ZINC000299855769 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](Cc3ccc(Cl)cc3)O5)ccc2OC)c1 ZINC000299855787 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](Cc3ccc(Cl)cc3)O5)ccc2OC)c1 ZINC000299855790 KK Annotated Anodyne CC(/C=C/CCCC/C=C/c1oc(=O)c(C)c(O)c1C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)CCc1ccccc1 ZINC000299855834 KK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3sc(-c4ccccc4Cl)nn23)cc1 ZINC000299855835 KK Annotated Mild CC(/C=C/CCCC/C=C/c1oc(=O)c(C)c(O)c1C)=C\C=C\[C@H](C)[C@@H](O)[C@H](C)CCc1ccccc1 ZINC000299855836 KK Annotated Anodyne COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(Cl)cn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299855868 KK Annotated Anodyne O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccccc3Cl)nn12)c1cccs1 ZINC000299855874 KK Annotated Mild O=c1c(OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000299856167 KK Annotated Anodyne CCCCC[C@H](CC(=O)CCc1ccc(OC(=O)c2ccco2)c(OC)c1)n1cc(C)c(=O)n(C(=O)c2ccco2)c1=O ZINC000299856173 KK Annotated Anodyne CCCCC[C@@H](CC(=O)CCc1ccc(OC(=O)c2ccco2)c(OC)c1)n1cc(C)c(=O)n(C(=O)c2ccco2)c1=O ZINC000299856175 KK Annotated Anodyne CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@H]5C=NN(C(=O)[C@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000299856189 KK Annotated Reactive CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@H]5C=NN(C(=O)[C@@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000299856191 KK Annotated Reactive CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@@H]5C=NN(C(=O)[C@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000299856194 KK Annotated Reactive CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@@H]5C=NN(C(=O)[C@@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000299856196 KK Annotated Reactive COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccc(F)cc5)cnc4Cl)nn3)on2)cc(OC)c1OC ZINC000299856209 KK Annotated Anodyne COc1ccc(C2=NN(c3ccc(C(F)(F)F)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299856213 KK Annotated Anodyne COc1ccc(C2=NN(c3ccc(C(F)(F)F)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299856215 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N(C)C)n2)c1 ZINC000299856399 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)OC2[C@H](OCc3ccccc3)[C@H]3OCO[C@@H](C3OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000299856400 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@@H](OCc3ccccc3)[C@H]3OCO[C@@H]([C@@H]3OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000299856401 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)OC2[C@@H](OCc3ccccc3)[C@H]3OCO[C@@H](C3OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000299856402 KK Annotated Anodyne O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2c(O)cccc2F)cc(Cl)c1Cl ZINC000299856404 KK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3sc(-c4ccccc4)nn23)cc1 ZINC000299856650 KK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)/C=C/c1c2ccccc2c(Br)c2ccccc12 ZINC000299856668 KK Annotated Bother CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@H]2[C@H]3O[C@H]4O[C@@H]([C@@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O4)cc1 ZINC000299856773 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)OC2[C@H]3OC4OC([C@H]3OCc3ccccc3)[C@@H](OCc3ccccc3)[C@H]2O4)cc1 ZINC000299856774 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)OC2[C@H]3OC4OC([C@@H]3OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2O4)cc1 ZINC000299856775 KK Annotated Anodyne CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ncc(Br)cn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299856797 KK Annotated Anodyne S=C(Nc1cccc(C2=NCCN2)c1)c1ccc(-c2ccc(C(=S)Nc3cccc(C4=NCCN4)c3)cc2)cc1 ZINC000299856824 KK Annotated Anodyne CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCCCC2CCCCC2)C[C@@H]1CC1CCCCC1 ZINC000299856903 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCN[C@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299856932 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCN[C@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299856934 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCN[C@@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299856936 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCN[C@@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299856937 KK Annotated Anodyne CCOC(=O)C(=NO[C@@H](C(=O)OC(C)(C)C)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000299856943 KK Annotated Mild CCOC(=O)C(=NO[C@H](C(=O)OC(C)(C)C)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000299856945 KK Annotated Mild CC[C@H](C)[C@H]1O[C@@]2(C=CC[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)c3cc(O)c(C)cc3C(=O)O)O2)C=C[C@@H]1C ZINC000299856957 KK Annotated Anodyne CC(C)(C)C1CCC(C(=O)N2CCN(c3nc(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4s3)CC2)CC1 ZINC000299856973 KK Annotated Bother CC(C)C1=C[C@H]2C[C@]3(C4OCCO4)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(C(=O)OC[C@@H]2COCO2)[C@]13C(=O)OC(c1ccccc1)c1ccccc1 ZINC000299856986 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C4OCCO4)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(C(=O)OC[C@H]2COCO2)[C@]13C(=O)OC(c1ccccc1)c1ccccc1 ZINC000299856989 KK Annotated Anodyne CCOC(=O)c1sc2ccc(NCc3nc[nH]c3C)cc2c1NC(=O)c1ccc(C(F)(F)F)cc1 ZINC000299857078 KK Annotated Anodyne NCCCC[C@H](N)C(=O)Nc1ccc(-c2c3ccc(n3)c(-c3ccc(N)cc3)c3ccc([nH]3)c(-c3ccc(NC(=O)[C@@H](N)CCCCN)cc3)c3ccc(n3)c(-c3ccc(N)cc3)c3ccc2[nH]3)cc1 ZINC000299857090 KK Annotated Bother FC(F)(F)c1ccc(CO/N=C2/C(c3c[nH]c4ccc(Br)cc34)=Nc3ccc(Br)cc32)cc1 ZINC000299857164 KK Annotated Mild CCCC[C@H]1CN(CCCC[C@H]2CNC(=N)N2CCc2cccc(C(F)(F)F)c2)C(=N)N1CCc1ccc(-c2ccccc2)cc1 ZINC000299857165 KK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@@H](C(C)(C)OO)OO[C@]3(C)C[C@](CC=C(C)C)(C1=O)C(O)=C(C(=O)c1ccccc1)C2=O ZINC000299857210 KK Annotated Reactive Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(OC(F)(F)F)cc4)nc3c2)c(C(F)(F)F)n1 ZINC000299857230 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299857241 KK Annotated Reactive C[C@]1(OC(=O)CCc2ccc(O)cc2)CO[C@@]2(C[C@@H]([C@@H]3CC[C@]45C[C@]34C=C[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)[C@@H]1O ZINC000299857331 KK Annotated Anodyne O=C(/C=C(\O)C(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1)c1cc(Cc2ccccc2)cn(Cc2ccccc2)c1=O ZINC000299857332 KK Annotated Mild C[C@]12CC=C3C[C@@H](c4ccccc4)OC[C@]3(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2C=C[C@]23C[C@@]21CC[C@H]3[C@H]1C(=O)O[C@@]2(C[C@@](C)(O)CO2)[C@@H]1O ZINC000299857335 KK Annotated Anodyne O=c1c(OCc2cn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)nn2)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000299857338 KK Annotated Anodyne Cc1nc2ccc(-c3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2s1 ZINC000299857398 KK Annotated Anodyne C=Cc1ccc(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3ccc(C=C)cc3O)cc(Cl)c2Cl)c(O)c1 ZINC000299857436 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)O[C@@H]3CCNC3)n2)c1 ZINC000299857464 KK Annotated Anodyne C[C@@]12CC3CC(C(=O)N4CCC(N5C(=O)NC(=O)[C@H]5Cc5ccc(OS(=O)(=O)c6cccc7cnccc67)cc5)CC4)(C1)C[C@](C)(C3)C2 ZINC000299857526 KK Annotated Anodyne C[C@@]12CC3CC(C(=O)N4CCC(N5C(=O)NC(=O)[C@@H]5Cc5ccc(OS(=O)(=O)c6cccc7cnccc67)cc5)CC4)(C1)C[C@](C)(C3)C2 ZINC000299857527 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C4OCCO4)[C@H]4CC[C@@H](C)[C@@H]4C[C@@]2(COCc2cccc(C#N)c2)[C@]13C(=O)OC(c1ccccc1)c1ccccc1 ZINC000299857590 KK Annotated Mild COc1ccc([C@@H]2CC3=CC[C@@]4(C)[C@@H](CC(=O)[C@]5(C)[C@@H]4C=C[C@]46C[C@@]45CC[C@H]6[C@@H]4C[C@@]5(OC[C@](C)(OC(=O)CCc6ccc(O)cc6)[C@H]5O)OC4=O)[C@@]3(C)CO2)cc1 ZINC000299857683 KK Annotated Anodyne CCc1ccc(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3ccc(CC)cc3O)cc(Cl)c2Cl)c(O)c1 ZINC000299857808 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N2CCNCC2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299857820 KK Annotated Anodyne C[C@H]1CN(c2nc(SCCc3ccc(NC(=O)C(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000299857840 KK Annotated Mild C[C@H]1CN(c2nc(SCCc3ccc(NC(=O)C(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000299857841 KK Annotated Mild C[C@@H]1CN(c2nc(SCCc3ccc(NC(=O)C(C)(C)C)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000299857842 KK Annotated Mild O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000299857856 KK Annotated Bother O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000299857857 KK Annotated Bother O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000299857858 KK Annotated Bother O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000299857859 KK Annotated Bother Cc1cc(C)nc(NS(=O)(=O)c2ccc(N3C(=O)/C(=C/c4coc5ccccc5c4=O)N=C3c3ccc(Cl)cc3)cc2)n1 ZINC000299857930 KK Annotated Anodyne C=CC1=COC[C@@H]1[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299857977 KK Annotated Anodyne C=CC1=COC[C@H]1[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299857980 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299858021 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299858023 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@H]3C[C@@H](c4ccc(OC)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)cc1 ZINC000299858048 KK Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(-c4ccccc4)cc3)cc12 ZINC000299858208 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000299858233 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000299858234 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000299858235 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000299858236 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(CCOC)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299858287 KK Annotated Anodyne Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3CCN(C)CC3)cc2)n1 ZINC000299858291 KK Annotated Anodyne CC1(C)CCc2c(ccc(C(=O)/C=C/c3ccc(OCc4cn(-c5ccc(Cl)cc5)nn4)cc3)c2O)O1 ZINC000299858315 KK Annotated Mild Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3sc(-c4ccc(Cl)cc4)nn23)cc1 ZINC000299858357 KK Annotated Mild C[C@@H](C[C@H](C)C[C@H](C)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H](C)O)O2)O1)C[C@H](C)C(=O)O ZINC000299858370 KK Annotated Mild C[C@@H](C[C@H](C)C[C@H](C)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1)C[C@H](C)C(=O)O ZINC000299858372 KK Annotated Mild C[C@@H](C[C@H](C)C[C@H](C)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@H]2CC[C@](C)([C@@H](C)O)O2)O1)C[C@H](C)C(=O)O ZINC000299858374 KK Annotated Mild N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCc1cccc(C(F)(F)F)c1 ZINC000299858451 KK Annotated Anodyne O=C(/C=C(\O)C(=O)N1CCN(c2ccc(-n3ccnc3)cc2)CC1)c1cc(Cc2cc(F)cc(F)c2)cn(Cc2ccccc2F)c1=O ZINC000299858474 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)OCc3ccccc3)n2)c1 ZINC000299858516 KK Annotated Anodyne CCOC(=O)Cn1cc(-c2ccc(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4ccc(-c5cn(CC(=O)OCC)nn5)cc4O)cc(Cl)c3Cl)c(O)c2)nn1 ZINC000299858518 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCNC34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299858681 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCNC34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299858684 KK Annotated Anodyne CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCc2cccc(C(F)(F)F)c2)C[C@H]1Cc1cccc2ccccc12 ZINC000299858727 KK Annotated Mild CC1(C)[C@@H]2CC[C@H](CNc3nc(NCC(=O)Nc4ccc5ccccc5c4)nc(N4CCC(N5CCCC5)CC4)n3)[C@H]1C2 ZINC000299858833 KK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3ccc(OC)c4c3OC(C)(C)C=C4)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299858860 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)C(=O)[C@H](CC)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000299858954 KK Annotated Mild COc1ccc(C(=O)N2N=C(c3ccc(OC)c4c3OC(C)(C)C=C4)C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000299859017 KK Annotated Anodyne CCCC[C@H]1CN(CCCC[C@H]2CNC(=N)N2CCCCC2CCCCC2)C(=N)N1CCc1ccc(-c2ccccc2)cc1 ZINC000299859044 KK Annotated Anodyne CC(C)=C(C(=O)OCc1ccccc1)N1C(=O)[C@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1[S@](=O)CC(=O)OC(C)(C)C ZINC000299859119 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299859168 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3cccc(Cl)c3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299859169 KK Annotated Anodyne CCNC(=O)ON(C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299859190 KK Annotated Mild CCNC(=O)ON(C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299859191 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859216 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299859217 KK Annotated Anodyne Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000299859288 KK Annotated Anodyne O=c1c(OCc2nnn([C@@H]3C[C@@H](c4ccccc4)O[C@@H](c4ccccc4)C3)c2I)c(-c2ccc(Cl)cc2)oc2ccccc12 ZINC000299859412 KK Annotated Anodyne Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc3[nH]ccc3c2)n1 ZINC000299859450 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2nnn([C@@H]3C[C@@H](c4ccc(Cl)cc4)O[C@@H](c4ccc(Cl)cc4)C3)c2I)cc1 ZINC000299859481 KK Annotated Anodyne Cn1c(Cl)c(Cl)c(-n2c(C(=O)c3ccccc3O)cc(Cl)c2Cl)c1C(=O)c1ccccc1O ZINC000299859513 KK Annotated Anodyne CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)CC5=C(C)[C@H](/C=C\c6ccc([S@](C)=O)cc6)c6ccc(F)cc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299859598 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)CC5=C(C)[C@H](/C=C\c6ccc([S@@](C)=O)cc6)c6ccc(F)cc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299859601 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)CC5=C(C)[C@@H](/C=C\c6ccc([S@](C)=O)cc6)c6ccc(F)cc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299859604 KK Annotated Mild C=C[C@@]1(C)C[C@@H](OC(=O)NC(=O)C2CCN(C(=O)CSc3ccccc3)CC2)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1O ZINC000299859633 KK Annotated Mild C/C(=C\[C@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]4C[C@@H](O)[C@@]32C)C(=O)O1)CO ZINC000299859659 KK Annotated Anodyne CC[C@@H](C[C@@H](C)C[C@H](C)C[C@H](C)C(=O)O)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@H]2CC[C@](C)([C@@H](C)O)O2)O1 ZINC000299859684 KK Annotated Mild CC[C@@H](C[C@@H](C)C[C@H](C)C[C@H](C)C(=O)O)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1 ZINC000299859691 KK Annotated Mild CC[C@@H](C[C@@H](C)C[C@H](C)C[C@H](C)C(=O)O)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H](C)O)O2)O1 ZINC000299859697 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)CC5=C(C)[C@@H](/C=C\c6ccc([S@@](C)=O)cc6)c6ccc(F)cc65)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299859757 KK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@H]4C=NO[C@H]4c4ccccc4)CC[C@]3(C)CC[C@]21C ZINC000299859892 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@H]4C=NO[C@@H]4c4ccccc4)CC[C@]3(C)CC[C@]21C ZINC000299859895 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@H]4C=NO[C@H]4c4ccccc4)CC[C@]3(C)CC[C@]21C ZINC000299859899 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@H]4C=NO[C@@H]4c4ccccc4)CC[C@]3(C)CC[C@]21C ZINC000299859903 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)CCc2ccc(Cl)cc2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@H]4C=NN(C(=O)CCc5ccc(Cl)cc5)C4)CC[C@]3(C)CC[C@]21C ZINC000299859908 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)CCc2ccc(Cl)cc2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@H]4C=NN(C(=O)CCc5ccc(Cl)cc5)C4)CC[C@]3(C)CC[C@]21C ZINC000299859914 KK Annotated Anodyne COc1ccc(-c2oc3ccccc3c(=O)c2OCc2cn([C@@H]3C[C@@H](c4ccc(Br)cc4)O[C@@H](c4ccc(Br)cc4)C3)nn2)cc1 ZINC000299859956 KK Annotated Anodyne Cc1ccc(-n2cc(COc3ccc(/C=C/C(=O)c4cc5c(cc4O)OC(C)(C)CC5)cc3)nn2)cc1Br ZINC000299859969 KK Annotated Mild CC1(C)[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@H]4C=NN(C(=O)/C=C/c5ccccc5)C4)CC[C@]3(C)CC[C@]21C ZINC000299859978 KK Annotated Anodyne Cc1cc2c(cc1S(=O)(=O)N1CCN(c3ccc(C(F)(F)F)cc3)CC1)N(CC(=O)c1ccc(-c3ccccc3)cc1)C(=O)CO2 ZINC000299859991 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCN3CCCCC3)O5)ccc2OC)c1 ZINC000299860006 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCN3CCCCC3)O5)ccc2OC)c1 ZINC000299860009 KK Annotated Anodyne CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)[C@@H](CCC(=O)N(C)OC(=O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000299860024 KK Annotated Mild CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)[C@H](CCC(=O)N(C)OC(=O)C(C)(C)C)c1ccc(F)c(F)c1 ZINC000299860025 KK Annotated Mild CC1(C)[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@H]4C=NN(C(=O)/C=C/c5ccccc5)C4)CC[C@]3(C)CC[C@]21C ZINC000299860082 KK Annotated Anodyne CCCCCC[C@H](C/C=C\CCCCCCCCn1nnc(-c2ccc(O)c(OC)c2)n1)OC(=O)Cc1ccccc1 ZINC000299860096 KK Annotated Anodyne CCCCCCCCn1cc(COc2ccc(/C=C/C(=O)c3cc4c(cc3O)OC(C)(C)CC4)cc2)nn1 ZINC000299860263 KK Annotated Mild CC[C@@H]1SC2(CCNCC2)N(CCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O ZINC000299860320 KK Annotated Anodyne C#Cc1ccc(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3ccc(C#C)cc3O)cc(Cl)c2Cl)c(O)c1 ZINC000299860326 KK Annotated Mild Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N3CCN(C(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)CC3)cc2)n1 ZINC000299860396 KK Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000299860422 KK Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000299860424 KK Annotated Bother O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O ZINC000299860426 KK Annotated Reactive O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccccc2O)cc(Cl)c1Cl ZINC000299860442 KK Annotated Unstable CC(C)(C)OC(=O)Cn1cc(-c2ccc(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4ccc(-c5cn(CC(=O)OC(C)(C)C)nn5)cc4O)cc(Cl)c3Cl)c(O)c2)nn1 ZINC000299860553 KK Annotated Anodyne CC(C)(C)c1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4CC(=O)N5C[C@@H]6CCCN7CCC[C@@H]([C@H]67)[C@H]5C4)nn3)cc2O)cc1 ZINC000299860568 KK Annotated Mild COc1cc([C@H]2CC(c3ccc(Cl)cc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299860615 KK Annotated Anodyne COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299860617 KK Annotated Anodyne CCN1C(=O)[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299860634 KK Annotated Anodyne CCN1C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299860636 KK Annotated Anodyne COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccccc5)cnc4Cl)nn3)on2)cc(OC)c1OC ZINC000299860643 KK Annotated Anodyne O=C(c1ccc(-c2cn(C3CCCCC3)nn2)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(-c3cn(C4CCCCC4)nn3)cc2O)cc(Cl)c1Cl ZINC000299860653 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000299860663 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C1=Nc1ccc2nc3ccc(N=C4N(C(=O)OC(C)(C)C)CCN4C(=O)OC(C)(C)C)cc3c(O)c2c1 ZINC000299860666 KK Annotated Mild Cc1c(-n2cc(COc3ccc(/C=C/C(=O)c4cc5c(cc4O)OC(C)(C)CC5)cc3)nn2)cccc1[N+](=O)[O-] ZINC000299860668 KK Annotated Mild Cc1c(-n2cc(COc3ccc(/C=C/C(=O)c4ccc5c(c4O)CCC(C)(C)O5)cc3)nn2)cccc1[N+](=O)[O-] ZINC000299860691 KK Annotated Mild CCN(CC)CCC/N=C(\C)N(CCCN(CC)CC)c1c2ccc(Cl)cc2nc2ccc(OC)nc12 ZINC000299860715 KK Annotated Mild COc1ccc(-c2nn3c(/C=C/C(=O)c4ccccc4)c(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000299860751 KK Annotated Mild N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCCN(C(=O)[C@@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C\c5ccccc5)CC4)CC3)cc2)cc1 ZINC000299860755 KK Annotated Mild N#Cc1ccc(-c2ccc(OC[C@H](O)CN3CCCN(C(=O)[C@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C\c5ccccc5)CC4)CC3)cc2)cc1 ZINC000299860756 KK Annotated Mild CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCC23CC4CC(CC(C4)C2)C3)C[C@@H]1CC1CCCCC1 ZINC000299860762 KK Annotated Mild COc1cc([C@H]2CC(c3ccc(F)cc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299860783 KK Annotated Anodyne COc1cc([C@@H]2CC(c3ccc(F)cc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299860784 KK Annotated Anodyne CCN(CC)Cc1cc(N(c2cc(C)nc3cc(Cl)ccc23)S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)ccc1O ZINC000299860826 KK Annotated Clean C=C1[C@H]2C[C@]3([C@@H]1OC(=O)c1ccccc1)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(=O)c1ccccc1 ZINC000299860829 KK Annotated Mild O=C(c1ccc(-c2cn(-c3ccccc3)nn2)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(-c3cn(-c4ccccc4)nn3)cc2O)cc(Cl)c1Cl ZINC000299860830 KK Annotated Anodyne CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)c3cn(C)cn3)cc2)n1 ZINC000299860856 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(Br)cc3)nc2-c2ccc(C)cc2)S1)c1ccccc1 ZINC000299860928 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(Br)cc3)nc2-c2ccc(C)cc2)S1)c1ccccc1 ZINC000299860929 KK Annotated Anodyne CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCc2cccc(C(F)(F)F)c2)C[C@@H]1CC1CCCCC1 ZINC000299860936 KK Annotated Mild COc1ccc(C2=NN(c3ccc(F)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299860943 KK Annotated Anodyne COc1ccc(C2=NN(c3ccc(F)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299860944 KK Annotated Anodyne O=C(/C=C1/C(=O)N(Cc2ccc(Br)cc2)c2ccc(O)cc21)Nc1ccc2ncccc2c1 ZINC000299860965 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CN2C(=O)N(Cc3cccc4cnccc34)C(=O)[C@@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1 ZINC000299860992 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(CN2C(=O)N(Cc3cccc4cnccc34)C(=O)[C@H]2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1 ZINC000299860993 KK Annotated Anodyne COc1ccc(OC(=O)[C@H](CCCCN2C[C@@H](Cl)CC(C)(C)C2)N2C[C@@H](Cl)CC(C)(C)C2)c2ccccc12 ZINC000299861016 KK Annotated Reactive COc1ccc(OC(=O)[C@H](CCCCN2C[C@H](Cl)CC(C)(C)C2)N2C[C@H](Cl)CC(C)(C)C2)c2ccccc12 ZINC000299861017 KK Annotated Reactive COc1ccc(OC(=O)[C@H](CCCCN2C[C@H](Cl)CC(C)(C)C2)N2C[C@@H](Cl)CC(C)(C)C2)c2ccccc12 ZINC000299861018 KK Annotated Reactive COc1ccc(OC(=O)[C@H](CCCCN2C[C@@H](Cl)CC(C)(C)C2)N2C[C@H](Cl)CC(C)(C)C2)c2ccccc12 ZINC000299861019 KK Annotated Reactive CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ncc(Cl)cn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299861027 KK Annotated Anodyne CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(F)cn4)n(C)c3c2)ccc1/C=C/C(=O)O ZINC000299861050 KK Annotated Anodyne C[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2)C(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000299861119 KK Annotated Reactive CC(C)=CCC/C(C)=C\C[C@]1(C/C=C(\C)CCC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000299861131 KK Annotated Mild CC(C)=CCC/C(C)=C/CC1(C/C=C(\C)CCC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000299861132 KK Annotated Mild CC(C)=CCC/C(C)=C\C[C@@]1(C/C=C(\C)CCC=C(C)C)C(=O)C(O)=Cc2oc3cc(O)cc(O)c3c(=O)c21 ZINC000299861133 KK Annotated Mild CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)[C@H](C)c5cccc(C(=O)c6ccccc6)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299861164 KK Annotated Mild COc1ccccc1C(=O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(Cl)cc2OC)cc(Cl)c1Cl ZINC000299861265 KK Annotated Anodyne CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299861285 KK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299861286 KK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299861287 KK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299861288 KK Annotated Reactive O=C1NC(=O)N(C2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299861364 KK Annotated Anodyne O=C1NC(=O)N(C2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299861365 KK Annotated Anodyne CCCN1C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299861389 KK Annotated Anodyne CCCN1C(=O)[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299861390 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](c3ccccc3)O5)ccc2OC)c1 ZINC000299861427 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](c3ccccc3)O5)ccc2OC)c1 ZINC000299861428 KK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299861464 KK Annotated Anodyne CN1C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299861466 KK Annotated Anodyne COc1c(CNC[C@H](O)c2ccc(O)c3nc(O)ccc23)ccc(NC(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1Cl ZINC000299861508 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000299861549 KK Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(OC)cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(=O)c1ccc(OC)cc1 ZINC000299861556 KK Annotated Mild COc1ccc(C[C@H]2Oc3ccc4cc(NC(=O)c5ccc(OC)c(-c6cccc(OC)c6)c5)c(=O)oc4c3NC2=O)cc1 ZINC000299861576 KK Annotated Anodyne COc1ccc(C[C@@H]2Oc3ccc4cc(NC(=O)c5ccc(OC)c(-c6cccc(OC)c6)c5)c(=O)oc4c3NC2=O)cc1 ZINC000299861577 KK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4s/c(=C\c5ccccc5OCc5ccccc5)c(=O)n4n3)ccc2c1 ZINC000299861659 KK Annotated Anodyne COc1ccc2cc([C@H](C)c3nc4s/c(=C\c5ccccc5OCc5ccccc5)c(=O)n4n3)ccc2c1 ZINC000299861660 KK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3sc(-c4ccccc4Br)nn23)cc1 ZINC000299861664 KK Annotated Mild CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)O)ccc3C2(C)C)[C@@](C)(CCCC(=O)ON2C(=O)CCC2=O)c2cc(S(=O)(=O)O)ccc21 ZINC000299861711 KK Annotated Mild CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)O)ccc3C2(C)C)[C@](C)(CCCC(=O)ON2C(=O)CCC2=O)c2cc(S(=O)(=O)O)ccc21 ZINC000299861713 KK Annotated Mild CC1(C)CCc2cc(C(=O)/C=C/c3ccc(OCc4cn(-c5ccc(Cl)cc5)nn4)cc3)c(O)cc2O1 ZINC000299861732 KK Annotated Mild CCCC[C@H]1CN(CCCC[C@H]2CNC(=N)N2CCC23CC4CC(CC(C4)C2)C3)C(=N)N1CCc1ccc(-c2ccccc2)cc1 ZINC000299861743 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(C(C)C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299861760 KK Annotated Anodyne C=CC[C@H](C)[C@@H](O)C[C@@H]1C[C@H]2O[C@H](/C=C(C)/C=C/C[C@H]3C[C@@H]4O[C@@H](/C=C/CCCCC)C[C@@H]4O3)C[C@H]2O1 ZINC000299861763 KK Annotated Mild COc1cccc(N2C(=O)CS/C2=N\c2csc([C@H]3CC=Cc4ccccc43)c2[C@H]2CC=Cc3ccccc32)c1 ZINC000299861865 KK Annotated Mild COc1cccc(N2C(=O)CS/C2=N\c2csc([C@@H]3CC=Cc4ccccc43)c2[C@H]2CC=Cc3ccccc32)c1 ZINC000299861869 KK Annotated Mild COc1cccc(N2C(=O)CS/C2=N\c2csc([C@H]3CC=Cc4ccccc43)c2[C@@H]2CC=Cc3ccccc32)c1 ZINC000299861873 KK Annotated Mild COc1cccc(N2C(=O)CS/C2=N\c2csc([C@@H]3CC=Cc4ccccc43)c2[C@@H]2CC=Cc3ccccc32)c1 ZINC000299861876 KK Annotated Mild CNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NS(=O)(=O)NC(=O)OC(C)(C)C)cc2)n1 ZINC000299861904 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCNC34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299861912 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCNC34CC6CC(CC(C6)C3)C4)O5)ccc2OC)c1 ZINC000299861915 KK Annotated Anodyne COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(F)cn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299861931 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299861946 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299861949 KK Annotated Anodyne CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(Cl)cn4)n(C)c3c2)ccc1/C=C/C(=O)O ZINC000299861965 KK Annotated Anodyne Brc1ccc(/C2=C3\C=C[C@@H](N3)/C(c3ccc(Br)cc3)=C3/C=CC(=N3)/C(c3ccc(Br)cc3)=c3/cc/c([nH]3)=C(\c3ccc(Br)cc3)[C@H]3C=CC2=N3)cc1 ZINC000299861988 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC#CCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000299862000 KK Annotated Mild O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(-c2ncnc3[nH]c(C4=CCSCC4)cc23)c1CO ZINC000299862024 KK Annotated Anodyne N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=C1\S/C(=C2\SC(C(=O)Nc3ccccc3)=NN2c2ccccc2)C(=O)N1c1ccccc1 ZINC000299862079 KK Annotated Mild CCCC[C@H]1CN(CCCC[C@H]2CNC(=N)N2CCC23CC4CC(CC(C4)C2)C3)C(=N)N1CCCCC1CCCCC1 ZINC000299862124 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCC(=O)OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299862152 KK Annotated Reactive CCCCCCCCn1cc(COc2ccc(/C=C/C(=O)c3ccc4c(c3O)CCC(C)(C)O4)cc2)nn1 ZINC000299862155 KK Annotated Mild CCOC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)s1 ZINC000299862157 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N(C)CC[C@@H](Oc3ccccc3)c3ccccc3)n2)c1 ZINC000299862168 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299862196 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299862198 KK Annotated Anodyne CCN(CC)CCOc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN(CC)CC)c3cc12 ZINC000299862322 KK Annotated Bother C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(C#N)cc3)cc12 ZINC000299862364 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cc(F)c(Br)c(F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299862409 KK Annotated Anodyne C#CCSc1nc(Nc2cccc(C(F)(F)F)c2)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000299862475 KK Annotated Mild CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(Cl)cn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299862477 KK Annotated Anodyne COc1ccc(-c2nn3c(/C=C/C(=O)c4cccs4)c(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000299862484 KK Annotated Mild COc1ccc(C2=NN(S(=O)(=O)c3cc(C)cc(C)c3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299862487 KK Annotated Anodyne COc1ccc(C2=NN(S(=O)(=O)c3cc(C)cc(C)c3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299862489 KK Annotated Anodyne Brc1ccc(-c2nc3sc(-c4ccc(I)cc4)nn3c2/C=N/C2CCCCC2)cc1 ZINC000299862490 KK Annotated Mild O=C1/C(=C/c2coc3ccccc3c2=O)N=C(c2ccc(Cl)cc2)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000299862495 KK Annotated Anodyne O=C(/C=C/c1cccc(C(F)(F)F)c1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O ZINC000299862584 KK Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccccc3)cc12 ZINC000299862587 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(C7COC7)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299862607 KK Annotated Anodyne CN(OC(=O)C(C)(C)C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299862644 KK Annotated Mild CN(OC(=O)C(C)(C)C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299862647 KK Annotated Mild O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccccc3Br)nn12)c1ccccc1 ZINC000299862665 KK Annotated Mild C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)c5ccc(I)cc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000299862672 KK Annotated Anodyne CCc1ccccc1-n1cc(COc2ccc(/C=C/C(=O)c3cc4c(cc3O)OC(C)(C)CC4)cc2)nn1 ZINC000299862721 KK Annotated Mild O=C1NC(=O)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299862733 KK Annotated Anodyne O=C1NC(=O)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299862734 KK Annotated Anodyne CC(=O)C1=CC[C@H]2[C@@H]3CC(=O)C4=C[C@@H](OC(=O)[C@H](C)c5ccc(CC(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000299862766 KK Annotated Mild CC(=O)c1nn(-c2ccc(Cl)cc2)/c(=N/c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)s1 ZINC000299862874 KK Annotated Mild CO[C@@H]1CCCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862926 KK Annotated Anodyne CO[C@H]1CCCN(CCOc2cccc(Nc3nc(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)n3)c2)C1 ZINC000299862928 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCCCC3CCCCC3)C2=N)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000299862969 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(C)cc3)nc2-c2ccc(C)cc2)S1)c1ccccc1 ZINC000299863005 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(C)cc3)nc2-c2ccc(C)cc2)S1)c1ccccc1 ZINC000299863006 KK Annotated Anodyne O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2cc(Br)ccc2Br)cc1 ZINC000299863084 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)[C@@H](OC(C)=O)[C@H](O)[C@H]2[C@H](C)C(=O)CC[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000299863106 KK Annotated Anodyne O=C(/C=C/c1ccc(Cl)cc1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O ZINC000299863110 KK Annotated Mild N=C1NC[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCCCC3CCCCC3)C2=N)N1CCc1cccc(C(F)(F)F)c1 ZINC000299863184 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCCC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299863203 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CN(Cc2ccccc2)Cc2ccc(Oc3ccccc3)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299863288 KK Annotated Mild CCOC(=O)C1=NN(c2ccccc2)/C(=C2/S/C(=N\c3nc(-c4ccccc4)cc(-c4ccccc4)c3C#N)N(c3ccccc3)C2=O)S1 ZINC000299863350 KK Annotated Mild CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3C(F)(F)F)cc2)nn2c(C)cc(C)nc12 ZINC000299863455 KK Annotated Anodyne CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCCCC2CCCCC2)C[C@H]1Cc1cccc2ccccc12 ZINC000299863472 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1 ZINC000299863479 KK Annotated Mild COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4Cl)nn3)on2)cc(OC)c1OC ZINC000299863494 KK Annotated Anodyne CCCC[C@H]1CN(CCCC[C@H]2CNC(=N)N2CCCCC2CCCCC2)C(=N)N1CCCCC1CCCCC1 ZINC000299863525 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCC(=O)OCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299863531 KK Annotated Reactive COc1ccc(CSc2ccc(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4ccc(SCc5ccc(OC)cc5)cc4O)cc(Cl)c3Cl)c(O)c2)cc1 ZINC000299863583 KK Annotated Anodyne CN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)[C@]4(C[C@@H]4c4ccc(Cl)cc4)c4ccccc43)c2)CC1 ZINC000299863637 KK Annotated Anodyne CN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)[C@]4(C[C@H]4c4ccc(Cl)cc4)c4ccccc43)c2)CC1 ZINC000299863639 KK Annotated Anodyne CN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)[C@@]4(C[C@H]4c4ccc(Cl)cc4)c4ccccc43)c2)CC1 ZINC000299863640 KK Annotated Anodyne CC[C@]1(C)C[C@@H](NC(=O)NC(=O)c2ccc(OC)cc2)[C@@]2(C)[C@@H](C)CC[C@]3(CCC(=O)[C@@H]32)[C@@H](C)[C@@H]1OC(=O)NC(=O)c1ccc(OC)cc1 ZINC000299863641 KK Annotated Anodyne CN(C)CCC1CCN(C(=O)c2cccc(N3C(=O)[C@@]4(C[C@@H]4c4ccc(Cl)cc4)c4ccccc43)c2)CC1 ZINC000299863642 KK Annotated Anodyne COc1ccc(-c2nn3c(/C=C/C(=O)c4ccc(C)cc4)c(-c4ccc(Br)cc4)nc3s2)cc1 ZINC000299863723 KK Annotated Mild O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccccc3Cl)nn12)c1ccccc1 ZINC000299863740 KK Annotated Mild O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccccc3Br)nn12)c1cccs1 ZINC000299863744 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCCN3CCCC3)O5)ccc2OC)c1 ZINC000299863755 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCCN3CCCC3)O5)ccc2OC)c1 ZINC000299863756 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCCCC3CCCCC3)C2=N)N1CCCCC1CCCCC1 ZINC000299863761 KK Annotated Anodyne COc1ccccc1C(=O)c1c(-n2c(C(=O)c3ccccc3OC)cc(Cl)c2Cl)c(Cl)c(Cl)n1C ZINC000299863779 KK Annotated Anodyne Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc3ocnc3c2)n1 ZINC000299863799 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccccc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(=O)c1ccccc1 ZINC000299863801 KK Annotated Mild COc1c(O)cc2oc3c(Cc4cc([C@H]5C[C@@H]6CC[C@@]5(C)C6(C)C)c(O)c([C@@H]5C[C@H]6CC[C@]5(C)C6(C)C)c4)c(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000299863830 KK Annotated Bother C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccc(-c6ccccc6)cc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccccc12 ZINC000299863846 KK Annotated Mild CCOC(=O)c1nn(-c2ccc(C)cc2)/c(=N/c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)s1 ZINC000299863855 KK Annotated Mild OCc1ccc(-c2ccc(O)cc2O)c(C(O)(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1 ZINC000299863859 KK Annotated Mild CCOC(=O)ON(C)C(=O)CO[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299864061 KK Annotated Mild CCOC(=O)ON(C)C(=O)CO[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299864062 KK Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=c1\scc(-c2ccccc2)n1-c1ccccc1 ZINC000299864063 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)OCc3ccc(C)o3)n2)c1 ZINC000299864099 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)[C@@H](O)[C@H](OC(C)=O)[C@H]2[C@H](C)C(=O)CC[C@@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000299864116 KK Annotated Anodyne CCN(CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)cc1 ZINC000299864117 KK Annotated Anodyne CCN(CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)cc1 ZINC000299864118 KK Annotated Anodyne CCN(CC)CCOc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299864119 KK Annotated Anodyne CCN(CC)CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299864120 KK Annotated Anodyne CCOc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(C4CCCC4)c(-c4ccc(F)cn4)n(C)c3c2)cnc1/C=C/C(=O)O ZINC000299864135 KK Annotated Anodyne CCCCC[C@H](CC(=O)CCc1ccc(OC(=O)c2ccc(Cl)nc2)c(OC)c1)Nc1cc(C)ccn1 ZINC000299864184 KK Annotated Anodyne CCCCC[C@@H](CC(=O)CCc1ccc(OC(=O)c2ccc(Cl)nc2)c(OC)c1)Nc1cc(C)ccn1 ZINC000299864185 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccco2)C(=O)/C(=C/c2ccco2)C1 ZINC000299864192 KK Annotated Mild CCCCC[C@@H](CC(=O)CCc1ccc(OC(=O)/C=C/c2ccc(F)cc2)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299864195 KK Annotated Anodyne CCCCC[C@H](CC(=O)CCc1ccc(OC(=O)/C=C/c2ccc(F)cc2)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299864196 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]32)cc1 ZINC000299864198 KK Annotated Anodyne CC(=O)c1ccc(-n2cc(COc3ccc(/C=C/C(=O)c4ccc5c(c4O)CCC(C)(C)O5)cc3)nn2)cc1 ZINC000299864207 KK Annotated Mild N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCCCC3CCCCC3)C2=N)N1CCc1cccc(C(F)(F)F)c1 ZINC000299864214 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCCCC3CCCCC3)C2=N)N1CCCCC1CCCCC1 ZINC000299864247 KK Annotated Anodyne Brc1ccc(-c2nc3sc(-c4ccccc4Br)nn3c2/C=N/C2CCCCC2)cc1 ZINC000299864272 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)c(C)c3)cc2)[nH]1)C(C)C ZINC000299864344 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299864470 KK Annotated Reactive CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCc2cccc(C(F)(F)F)c2)C[C@@H]1CCCC ZINC000299864472 KK Annotated Mild Brc1ccc(-c2nc3sc(-c4ccc(I)cc4)nn3c2/C=N/C2CC2)cc1 ZINC000299864498 KK Annotated Mild COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299864506 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299864507 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](Cc3ccc(C)cc3)O5)ccc2OC)c1 ZINC000299864514 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](Cc3ccc(C)cc3)O5)ccc2OC)c1 ZINC000299864515 KK Annotated Anodyne Cc1ccc(CO/N=C2/C(c3c[nH]c4ccc(Br)cc34)=Nc3ccc(Br)cc32)cc1 ZINC000299864657 KK Annotated Mild CC(=O)c1ccc(-n2cc(COc3ccc(/C=C/C(=O)c4cc5c(cc4O)OC(C)(C)CC5)cc3)nn2)cc1 ZINC000299864672 KK Annotated Mild O=C1NC(=O)N(C2CCN(C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299864673 KK Annotated Anodyne O=C1NC(=O)N(C2CCN(C(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299864674 KK Annotated Anodyne O=C(OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(COC(=O)c4ccccc4)O[C@H]2[C@@H]3OC(=O)c2ccccc2)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000299864738 KK Annotated Anodyne C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(C)cc3)cc12 ZINC000299864824 KK Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(C3CCCCC3)cc12 ZINC000299864836 KK Annotated Mild COc1ccc(C2=NN(C(=O)c3cccc(C(F)(F)F)c3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299864927 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3cccc(C(F)(F)F)c3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299864928 KK Annotated Anodyne Clc1cccc(CO/N=C2/C(c3c[nH]c4ccc(Br)cc34)=Nc3ccc(Br)cc32)c1 ZINC000299864936 KK Annotated Mild O=C1NC(=O)N(C2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)[C@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299864953 KK Annotated Anodyne O=C1NC(=O)N(C2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)[C@@H]1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1 ZINC000299864954 KK Annotated Anodyne CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCCCC2CCCCC2)C[C@@H]1CCCC ZINC000299864974 KK Annotated Mild COc1ccc2ccc([C@@H](C)C(=O)O[C@@H]3C=C4C(=O)C[C@H]5[C@@H]6CC=C(C(C)=O)[C@@]6(C)CC[C@@H]5[C@@]4(C)CC3)cc2c1 ZINC000299865008 KK Annotated Mild CCOC(=O)c1nn(-c2ccccc2)/c(=N/c2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)s1 ZINC000299865137 KK Annotated Mild NCCCC[C@H](N)C(=O)Nc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccc(N)cc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000299865161 KK Annotated Bother COc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299865182 KK Annotated Anodyne COc1ccc(C2=NN(S(=O)(=O)c3ccc(F)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299865183 KK Annotated Anodyne CC1(C)CCc2c(ccc(C(=O)/C=C/c3ccc(OCc4cn(Cc5ccc([N+](=O)[O-])cc5)nn4)cc3)c2O)O1 ZINC000299865272 KK Annotated Mild COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC2)cnc1/C=C/C(=O)O ZINC000299865459 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000299865526 KK Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)S1)c1ccccc1 ZINC000299865527 KK Annotated Bother O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sc(-c3ccc(Cl)cc3)nn12)c1cccs1 ZINC000299865538 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)OCc3cccc(O)c3C)n2)c1 ZINC000299865547 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)OC2[C@H](OCc3ccccc3)[C@H]3OC(C)O[C@@H](C3OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000299865579 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)OC2[C@@H](OCc3ccccc3)[C@H]3OC(C)O[C@@H](C3OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 ZINC000299865580 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@@H](OCc3ccccc3)[C@H]3O[C@H](C)O[C@@H]([C@@H]3OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 ZINC000299865581 KK Annotated Anodyne CC1=C(COC(=O)Cn2nc(-c3cc(C)ccc3OS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2-c2ccccc2)Cc2ccccc21 ZINC000299865588 KK Annotated Anodyne CCOC(=O)C1=C(C)[C@H](c2ccccc2)n2c(s/c(=C/n3cc(Cc4ccc(-c5ccccc5)cc4)c4ccccc43)c2=O)=N1 ZINC000299865593 KK Annotated Anodyne CCOC(=O)C1=C(C)[C@@H](c2ccccc2)n2c(s/c(=C/n3cc(Cc4ccc(-c5ccccc5)cc4)c4ccccc43)c2=O)=N1 ZINC000299865594 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000299865608 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl ZINC000299865609 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000299865610 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl ZINC000299865611 KK Annotated Reactive Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NCCCN3CCCC3=O)n2)c1 ZINC000299865649 KK Annotated Anodyne CC(C)N1C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299865833 KK Annotated Anodyne CC(C)N1C(=O)[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(C2CCN(C(=O)c3ccc(Cl)c(C(F)(F)F)c3)CC2)C1=O ZINC000299865835 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CN(CC)Cc2ccc(N(CC)CC)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299865842 KK Annotated Mild CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCC23CC4CC(CC(C4)C2)C3)C[C@@H]1CCCC ZINC000299865857 KK Annotated Mild CC(C)(C)OC(=O)Cn1cc(-c2cc(O)c(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4cc(Cl)c(-c5cn(CC(=O)OC(C)(C)C)nn5)cc4O)cc(Cl)c3Cl)cc2Cl)nn1 ZINC000299865875 KK Annotated Anodyne O=C(O)Cn1cc(-c2cc(O)c(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4cc(Cl)c(-c5cn(CC(=O)O)nn5)cc4O)cc(Cl)c3Cl)cc2Cl)nn1 ZINC000299865885 KK Annotated Anodyne COc1cc(C2=NO[C@H](COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299865960 KK Annotated Anodyne COc1cc(C2=NO[C@@H](COCc3cn(Cc4cc(-c5ccc(C)cc5)cnc4Cl)nn3)C2)cc(OC)c1OC ZINC000299865961 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CN(Cc2ccc(Oc3ccccc3)cc2)C2CCCCC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299866075 KK Annotated Mild COc1ccc(-n2cc(COc3ccc(/C=C/C(=O)c4ccc5c(c4O)CCC(C)(C)O5)cc3)nn2)c([N+](=O)[O-])c1 ZINC000299866086 KK Annotated Mild C[C@H](CN(C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)cc1 ZINC000299866178 KK Annotated Anodyne C[C@H](CN(C)C)Oc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299866179 KK Annotated Anodyne C[C@H](CN(C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000299866180 KK Annotated Anodyne C[C@H](CN(C)C)Oc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)[C@@H](c3ccccc3)N[C@]23C(=O)Nc2ccccc23)cc1 ZINC000299866181 KK Annotated Anodyne CCCCCCCN1C(=N)N(CCCC[C@H]2CNC(=N)N2CCC23CC4CC(CC(C4)C2)C3)C[C@H]1Cc1cccc2ccccc12 ZINC000299866205 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)OC[C@H]2O[C@@H](n3cc(F)c(O)nc3=O)C[C@@H]2O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299866224 KK Annotated Anodyne COc1ccc2c(c1)/C(=C\C(=O)Nc1ccc3ncccc3c1)C(=O)N2Cc1ccc(Br)cc1 ZINC000299866234 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCC(=O)OCCOCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299866243 KK Annotated Reactive CC[C@H](C)[C@H]1CN(CCCC[C@H]2CNC(=N)N2CC2CCC(C)CC2)C(=N)N1CCc1cccc(C)c1 ZINC000299866250 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@H]2[C@H](C(=O)OCc3ccccc3)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)cc1 ZINC000299866369 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@H](C(=O)OCc3ccccc3)[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)cc1 ZINC000299866370 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@]3(C[C@]5(OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]67)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299866392 KK Annotated Mild C/C(=N\NC(=O)CN1c2c(-c3ccccc3)n[nH]c2-c2ccccc2S1(=O)=O)c1cc(Cl)sc1Cl ZINC000299866402 KK Annotated Reactive N=C1NC[C@H](CCCCN2C[C@@H](Cc3cccc4ccccc34)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCCCC1CCCCC1 ZINC000299866461 KK Annotated Anodyne CCN(CC)Cc1csc(-c2ccc(N3C[C@H](CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)n1 ZINC000299866519 KK Annotated Anodyne COc1ccc(-n2cc(COc3ccc(/C=C/C(=O)c4cc5c(cc4O)OC(C)(C)CC5)cc3)nn2)c([N+](=O)[O-])c1 ZINC000299866522 KK Annotated Mild CCCCC[C@H](CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299866528 KK Annotated Anodyne CCCCC[C@@H](CC(=O)CCc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299866529 KK Annotated Anodyne Brc1ccc(-c2nc3sc(-c4ccccc4Br)nn3c2/C=N/C2CC2)cc1 ZINC000299866543 KK Annotated Mild COc1cc(/C=C/C(=O)C2(C(=O)/C=C/c3ccc(O)c(OC)c3)CCC=C[C@@H]2c2cc(OC)c(OC)cc2OC)ccc1O ZINC000299866667 KK Annotated Mild N=C1NC[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCCCC1CCCCC1 ZINC000299866713 KK Annotated Anodyne COc1ccc(C2=NN(c3ccc(C#N)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299866749 KK Annotated Mild COc1ccc(C2=NN(c3ccc(C#N)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299866750 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2cccc(Cl)c2Cl)cc1 ZINC000299866785 KK Annotated Mild NCCCC[C@H](N)C(=O)Nc1ccc(-c2c3ccc(n3)c(-c3ccc(N)cc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000299866792 KK Annotated Bother CC1=CC(C)=[N+]2C1=C(CCC(=O)N/N=C1\C[C@@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc31)c1c(C)cc(C)n1[B-]2(F)F ZINC000299866816 KK Annotated Reactive CC1=CC(C)=[N+]2C1=C(CCC(=O)N/N=C1\C[C@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc31)c1c(C)cc(C)n1[B-]2(F)F ZINC000299866817 KK Annotated Reactive CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@H]1CCCCO1 ZINC000299866900 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@@H]1CCCCO1 ZINC000299866901 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@@H]1CCCCO1 ZINC000299866902 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](O[C@@H]4CCCCO4)C[C@]12C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O[C@H]1CCCCO1 ZINC000299866903 KK Annotated Anodyne CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(=O)O)c(=O)c5cccc(F)c54)ccc3c2)C1=O ZINC000299866916 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](Cc3ccccc3)O5)ccc2OC)c1 ZINC000299866954 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](Cc3ccccc3)O5)ccc2OC)c1 ZINC000299866958 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(C3CCCCC3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299867097 KK Annotated Anodyne CCOC(=O)C(=NOC(C)(C)C(=O)NCc1ccc(O)c(O)c1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000299867139 KK Annotated Mild COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299867183 KK Annotated Anodyne COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299867185 KK Annotated Anodyne O=C(/C=C/c1cccc(Cl)c1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O ZINC000299867236 KK Annotated Mild CC(C)C[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(O[C@@H]4C[C@@H]5CC[C@H](C4)N5C=O)cc3)c2c1)c1ccccn1 ZINC000299867248 KK Annotated Anodyne CC(C)C[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(O[C@@H]4C[C@@H]5CC[C@H](C4)N5C=O)cc3)c2c1)c1ccccn1 ZINC000299867250 KK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4ccc(C(F)(F)F)cc4)nc3c2)c(C(F)(F)F)n1 ZINC000299867420 KK Annotated Anodyne COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=NN3C(=O)CN(Cc4ccccc4)C3=O)CCc3ccccc3)oc12 ZINC000299867486 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NC(C)(C)CO)n2)c1 ZINC000299867582 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN[C@@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299867583 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN[C@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299867585 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN[C@@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299867587 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN[C@H]3C[C@H]4CC[C@H]3C4)O5)ccc2OC)c1 ZINC000299867590 KK Annotated Anodyne CCCN(CCC)C(=O)[C@H](CC)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000299867625 KK Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21 ZINC000299867656 KK Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21 ZINC000299867657 KK Annotated Anodyne CCN1C(=O)[C@@]2(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21 ZINC000299867658 KK Annotated Anodyne CCN1C(=O)[C@]2(N[C@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccc(OCCN3CCOCC3)cc2)c2ccccc21 ZINC000299867659 KK Annotated Anodyne CCCC/C(=C\c1cc(OCC2CCC(C(F)(F)F)CC2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O ZINC000299867736 KK Annotated Anodyne COc1cc(-c2cc(COCc3cn(Cc4cc(-c5ccccc5)cnc4N4CCSCC4)nn3)on2)cc(OC)c1OC ZINC000299867742 KK Annotated Anodyne N#Cc1ccc(C23C[C@@H]4C[C@H](C2)CC(c2ccc(N(Cc5ccccc5)Cc5ccccc5)cc2)(C4)C3)cc1 ZINC000299867861 KK Annotated Mild O=C1[C@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(CC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc12 ZINC000299867866 KK Annotated Anodyne O=C1[C@@H](Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)N(CC2CCN(Cc3ccccc3)CC2)C(=O)N1Cc1cccc2cnccc12 ZINC000299867868 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc(F)cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(=O)c1ccc(F)cc1 ZINC000299867901 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CN(CC)Cc2cccc(C)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299867922 KK Annotated Mild Cc1ccc(-c2cnc(N3CCSCC3)c(Cn3cc(/C=N/NC(=O)c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 ZINC000299867973 KK Annotated Reactive CCCCC[C@H](CC(=O)CCc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1)n1cc(C)c(=O)n(C(=O)c2ccc(OC)cc2)c1=O ZINC000299867983 KK Annotated Anodyne CCCCC[C@@H](CC(=O)CCc1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1)n1cc(C)c(=O)n(C(=O)c2ccc(OC)cc2)c1=O ZINC000299867984 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)NCCC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299868004 KK Annotated Reactive CCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CC)c(OC)c(CCC(C)C)c3c(=O)c2c(O)c1CCC(C)C ZINC000299868010 KK Annotated Bother CCCCC[C@@H](CC(=O)CCc1ccc(OC(=O)c2ccc(Cl)nc2)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299868011 KK Annotated Anodyne CCCCC[C@H](CC(=O)CCc1ccc(OC(=O)c2ccc(Cl)nc2)c(OC)c1)n1cc(C)c(O)nc1=O ZINC000299868012 KK Annotated Anodyne O=C(/C=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Br)cc21)Nc1ccc2ncccc2c1 ZINC000299868016 KK Annotated Anodyne COc1ccc(C2=NN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299868027 KK Annotated Bother COc1ccc(C2=NN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 ZINC000299868028 KK Annotated Bother CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000299868037 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)N1C/C(=C\c2ccncc2)C(=O)/C(=C/c2ccncc2)C1 ZINC000299868045 KK Annotated Mild O=C(Cn1cc(CN(c2ncccn2)c2nc3ccccc3s2)nn1)Nc1ccc(SC(F)(F)F)cc1 ZINC000299868127 KK Annotated Anodyne Brc1c(Br)c(Br)n(-c2ccc3ncccc3c2Br)c1Br ZINC000299868161 KK Annotated Anodyne CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCC2)cnc1/C=C/C(=O)O ZINC000299868162 KK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1 ZINC000299868184 KK Annotated Anodyne Cn1cc(C(=O)Nc2ccc3oc(SCc4cccc(Br)c4)nc3c2)c(C(F)(F)F)n1 ZINC000299868242 KK Annotated Anodyne CCN(CC)CCCN(CCCN(CC)CC)/C(=N\c1c2ccc(Cl)cc2nc2ccc(OC)nc12)C(C)C ZINC000299868274 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@@H](CCN3CCCCC3)O5)ccc2OC)c1 ZINC000299868286 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc5c(c4oc3=O)NC(=O)[C@H](CCN3CCCCC3)O5)ccc2OC)c1 ZINC000299868287 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(CCC[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C(\C)c3cc(O)c(C)cc3C(=O)O)O2)C[C@H](O)[C@@H]1C ZINC000299868290 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000299868298 KK Annotated Anodyne N=C1NC[C@H](CCCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCc1cccc(C(F)(F)F)c1 ZINC000299868319 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@@]2(CCC[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)c3cc(O)c(C)cc3C(=O)O)O2)C[C@H](O)[C@@H]1C ZINC000299868322 KK Annotated Anodyne Cc1ccc(CN(C[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)C(=O)[C@H](N)C(C)C)cc1 ZINC000299868404 KK Annotated Anodyne COc1cc([C@H]2CC(c3ccc(C)cc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299868444 KK Annotated Anodyne Cc1ccc(-n2cc(COc3ccc(/C=C/C(=O)c4ccc5c(c4O)CCC(C)(C)O5)cc3)nn2)cc1Br ZINC000299868446 KK Annotated Mild COc1cc([C@@H]2CC(c3ccc(C)cc3)=Nc3c(C)nn(-c4ccccc4)c3N2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000299868447 KK Annotated Anodyne CCCCN(CCCC)C(=O)[C@H](CC)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000299868512 KK Annotated Anodyne O=C(c1ccc(SCc2ccccc2)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccc(SCc3ccccc3)cc2O)cc(Cl)c1Cl ZINC000299868580 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(Nc2c[nH]nc2-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)CC1 ZINC000299868591 KK Annotated Anodyne N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=C1\S/C(=C2\SC(c3ccccc3)=NN2c2ccccc2)C(=O)N1c1ccccc1 ZINC000299868668 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1cn2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)cc2n1)C(C)C ZINC000299868796 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2sc(-c3ccc(-c4ccc5c(c4)nc([C@@H]4C[C@H](C)CN4C(=O)[C@@H](NC(=O)OC)C(C)C)n5C)cc3)cc2[nH]1)C(C)C ZINC000299868807 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NCC(C)(C)C)n2)c1 ZINC000299868817 KK Annotated Anodyne CC(C)=CCOC(=O)Cn1nc(-c2cc(C)ccc2OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccccc1 ZINC000299868870 KK Annotated Anodyne CCOC(=O)ON(C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299868917 KK Annotated Mild CCOC(=O)ON(C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299868918 KK Annotated Mild C[C@H]1CN(c2nc(SCCc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000299868928 KK Annotated Mild C[C@@H]1CN(c2nc(SCCc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@@H](C)O1 ZINC000299868929 KK Annotated Mild C[C@H]1CN(c2nc(SCCc3ccc(NC(=O)C(F)(F)F)cc3)c(C#N)c3c2COC(C)(C)C3)C[C@H](C)O1 ZINC000299868930 KK Annotated Mild CCOc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCCC2)cnc1/C=C/C(=O)O ZINC000299868965 KK Annotated Anodyne O=C(/C=C/c1ccc(Cl)c(Cl)c1)c1ccc(OCc2cn([C@H]3CC(=O)N4C[C@@H]5CCCN6CCC[C@@H]([C@H]56)[C@H]4C3)nn2)cc1O ZINC000299868968 KK Annotated Mild CCCCCCCCn1cc(-c2ccc(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4ccc(-c5cn(CCCCCCC)nn5)cc4O)cc(Cl)c3Cl)c(O)c2)nn1 ZINC000299868985 KK Annotated Mild COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2OCc2cccc(-c3cccc(OC)c3)c2)C(C)C)ccc1OC ZINC000299869061 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CN(CC)Cc2cccc(Cl)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299869063 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299869070 KK Annotated Anodyne Cc1ccccc1Nc1nc(SCc2cn(CC(=O)NC(=O)Nc3ccccn3)nn2)nc(-c2ccc(C(C)C)cc2)c1C#N ZINC000299869096 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)N[C@@H]3CCN(C(=O)CCc4ccccc4)C3)n2)c1 ZINC000299869102 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1cc2cc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3)ccc2[nH]1)C(C)C ZINC000299869167 KK Annotated Anodyne CCOP(=O)(OCC)c1c[nH]nc1-c1nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000299869183 KK Annotated Anodyne COc1nc(NC(=O)C2(NC(=O)c3ccc4c(c3)c(C)c(-c3ccc(F)cn3)n4C3CCCCC3)CCCC2)cnc1/C=C/C(=O)O ZINC000299869185 KK Annotated Anodyne CCC1=C[C@H]2CN(/C=C(/C(=O)OC)Cc3c([nH]c4ccc(C)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000299869189 KK Annotated Anodyne CC[C@H](C)[C@H](N)CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000299869317 KK Annotated Anodyne CCOC(=O)Cn1cc(-c2cc(O)c(C(=O)c3[nH]c(Cl)c(Cl)c3-n3c(C(=O)c4cc(Cl)c(-c5cn(CC(=O)OCC)nn5)cc4O)cc(Cl)c3Cl)cc2Cl)nn1 ZINC000299869373 KK Annotated Anodyne CCN(CC)CCNc1cc(Cl)cc2nc3c4cc(Cl)ccc4n(CCN(CC)CC)c3cc12 ZINC000299869386 KK Annotated Bother Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299869391 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2OC(F)F)cc1 ZINC000299869685 KK Annotated Mild CC1=C(C(=O)c2cc(Br)ccc2O)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=O)N1 ZINC000299869690 KK Annotated Mild CC1=C(C(=O)c2cc(Br)ccc2O)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=O)N1 ZINC000299869691 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299869703 KK Annotated Anodyne CC(C)(C)c1ccccc1Cc1cc(C(=O)Nc2ccc(S(=O)(=O)c3ccccc3C(C)(C)C)cc2)c(O)c(O)c1O ZINC000299869831 KK Annotated Clean CN(OC(=O)N1CCOCC1)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299869838 KK Annotated Mild CN(OC(=O)N1CCOCC1)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299869839 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(C7CCC7)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299869849 KK Annotated Anodyne CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@@H]([C@@H]3OCc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)cc1 ZINC000299869860 KK Annotated Reactive CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@@H]([C@H]3OCc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)cc1 ZINC000299869861 KK Annotated Reactive CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)[C@H]3OCc2ccccc2)cc1 ZINC000299869862 KK Annotated Reactive CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@@H]([C@@H]3OCc3ccccc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)cc1 ZINC000299869863 KK Annotated Reactive CCOC(=O)CSc1ccc(C(=O)c2[nH]c(Cl)c(Cl)c2-n2c(C(=O)c3ccc(SCC(=O)OCC)cc3O)cc(Cl)c2Cl)c(O)c1 ZINC000299869869 KK Annotated Anodyne CCOC(=O)ON(C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000299869870 KK Annotated Mild CCOC(=O)ON(C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000299869871 KK Annotated Mild CCC1=C[C@H]2CN(/C=C(/C(=O)OC)Cc3c([nH]c4ccc(I)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000299869944 KK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000299869949 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@H]21 ZINC000299869955 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@@H]21 ZINC000299869956 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@H]2[C@H]1[C@@H](CC(=O)CC(C)C)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000299869957 KK Annotated Mild CCNC(=O)ON(C)C(=O)CO[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299870049 KK Annotated Mild C/C(=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/C(C)=C/[C@H](C)CCC/C=C/[C@@H](C)C/C=C/CCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=O ZINC000299870050 KK Annotated Mild CCNC(=O)ON(C)C(=O)CO[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299870051 KK Annotated Mild C/C(=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/C(C)=C/[C@H](C)CCC/C=C/[C@H](C)C/C=C/CCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=O ZINC000299870052 KK Annotated Mild C/C(=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/C(C)=C/[C@@H](C)CCC/C=C/[C@@H](C)C/C=C/CCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=O ZINC000299870054 KK Annotated Mild C/C(=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)/C(C)=C/[C@@H](C)CCC/C=C/[C@H](C)C/C=C/CCCN(C)C(=N)N)C(=O)NC1=C(O)CCC1=O ZINC000299870055 KK Annotated Mild COCc1ccc(-c2ccc(O)cc2O)c(C(O)(c2ccc(O)cc2)c2ccc(O)cc2)c1C#Cc1ccc(O)cc1 ZINC000299870088 KK Annotated Mild N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=c1\sc(-c2ccccc2)nn1-c1ccccc1 ZINC000299870285 KK Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]2(C)[C@@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000299870307 KK Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000299870308 KK Annotated Mild CCCN(CCCNC(=O)CCCCCCCCCCCNC(=O)OC(C)(C)C)CCc1cccc2c1CC(=O)N2 ZINC000299870347 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N(CCOC)CCOC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299870365 KK Annotated Anodyne C=C1[C@H]2C[C@]3([C@@H]1OC(=O)c1ccccc1)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@]4([C@H]1N(CC)C5)[C@@H]3C[C@@H]2OC(=O)c1ccccc1 ZINC000299870387 KK Annotated Mild C=C(O)C[C@H]1[C@@H](C(=O)O)[C@@]23C4=C5c6c7c8c9c(c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c%21c%22c%23c(c6c6c8c8c%24c9c%11c9c(c%16%12)c%17c%11c%19c%12c%21c%23c6c8c%12c%11c9%24)[C@@H]5[C@@H]5C=%22[C@H]6c8c(c-%14c(c4c85)[C@@H]2[C@H]%13%10)[C@@H]%15[C@@H]%18[C@@H]%206)[C@]73[C@@H]1C(=O)O ZINC000299870398 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)OCc3cc(C)on3)n2)c1 ZINC000299870401 KK Annotated Anodyne C[N+](C)(C)CCO[P@@](=O)(O)OCCCCCCCCCCCCCCCCCCc1ccc(/C(=C2\C=CC=N2)c2cccn2B(F)F)cc1 ZINC000299870441 KK Annotated Bother COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cc5[nH]c([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)nc5s4)cc3F)cc2)[nH]1)C(C)C ZINC000299870576 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(CC(C)(C)O)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299870583 KK Annotated Anodyne O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870701 KK Annotated Anodyne O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870702 KK Annotated Anodyne O=C(c1ccc(OCCN2CCOCC2)cc1)[C@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870703 KK Annotated Anodyne O=C(c1ccc(OCCN2CCOCC2)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000299870704 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CN(CC)Cc2ccc(Oc3ccccc3)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000299870867 KK Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3c4nc5ccccc5c(=O)n4[C@H](C)C(=O)N3[C@@H]1N(C(C)=O)c1ccc(-c3ccc(OC)cc3)cc12 ZINC000299870891 KK Annotated Mild CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO[Si](C)(C)C(C)(C)C)O[C@H]2[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O ZINC000299870927 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2S(C)(=O)=O)cc1 ZINC000299870928 KK Annotated Mild Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NC[C@@H]3CCCO3)n2)c1 ZINC000299870931 KK Annotated Anodyne CCC1=C[C@H]2CN(C1)/C(C(=O)NC(C)C)=C(/C(=O)OC)Cc1c([nH]c3ccc(C)cc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000299870998 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CC(=O)NCc3cnccn3)n2)c1 ZINC000299871015 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC6CN(C(C)C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299871080 KK Annotated Anodyne CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299871124 KK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299871125 KK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299871126 KK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299871127 KK Annotated Reactive Cc1ccc(OS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299871133 KK Annotated Anodyne O=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccc(Br)cc1)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)cc2)SC1=S ZINC000299871179 KK Annotated Clean NCCCC[C@H](N)C(=O)Nc1ccc(-c2c3ccc(n3)c(-c3ccc(N)cc3)c3ccc([nH]3)c(-c3ccc(N)cc3)c3ccc(n3)c(-c3ccc(N)cc3)c3ccc2[nH]3)cc1 ZINC000299871408 KK Annotated Bother CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299871466 KK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299871557 KK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000299871558 KK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000299871559 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(C7COC7)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000299871705 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2cccc(C(F)(F)F)c2)[C@]3(C[C@]5(OC(=O)c2cccc(C(F)(F)F)c2)[C@H]67)[C@@H]1O ZINC000299871718 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N(CC)CC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000299871790 KK Annotated Anodyne CC(=O)C1=NN(c2ccccc2)/C(=C2/S/C(=N\c3nc(-c4ccccc4)cc(-c4ccccc4)c3C#N)N(c3ccccc3)C2=O)S1 ZINC000299871886 KK Annotated Mild CC(=O)ON(C)C(=O)CC[C@@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299871889 KK Annotated Mild CC(=O)ON(C)C(=O)CC[C@H](c1ccc(F)c(F)c1)P(=O)(OCOC(=O)OC(C)(C)C)OCOC(=O)OC(C)(C)C ZINC000299871890 KK Annotated Mild C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)CCC[C@]47[C@H]([C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)[C@]3(C[C@H]5[C@@H]76)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299871891 KK Annotated Mild Cc1ccc(OCc2cccc(C(F)(F)F)c2)c(-c2cc(-c3ccccc3)n(CCN[C@@H]3CCNC3)n2)c1 ZINC000299871943 KK Annotated Anodyne CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@@H](C(=O)O)C[C@H]3O)n2C2CCCCC2)ccn1 ZINC000299871946 KK Annotated Anodyne CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@@H](C(=O)O)C[C@@H]3O)n2C2CCCCC2)ccn1 ZINC000299871947 KK Annotated Anodyne CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)O)C[C@@H]3O)n2C2CCCCC2)ccn1 ZINC000299871948 KK Annotated Anodyne CC(=O)Nc1cc(-c2c(-c3ccc(F)cc3)nc(S[C@@H]3CC[C@H](C(=O)O)C[C@H]3O)n2C2CCCCC2)ccn1 ZINC000299871949 KK Annotated Anodyne Fc1ccc(/C2=C3\C=C[C@@H](N3)/C(c3ccc(F)cc3)=C3/C=CC(=N3)/C(c3ccc(F)cc3)=c3/cc/c([nH]3)=C(\c3ccc(F)cc3)[C@H]3C=CC2=N3)cc1 ZINC000299872043 KK Annotated Anodyne CCC(CC)CC1(O)CCN(C(=O)Nc2cc(Oc3ccc(F)cc3)cc(Oc3ccc(C(=O)N(C)C)cc3)c2)CC1 ZINC000299872058 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C[C@@]2(C)[C@H](CC=C(C)[C@@H]2CC/C(C)=C/COc2ccccc2)C1(C)C ZINC000299872203 KK Annotated Anodyne COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CCC(C)=NO[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000299872383 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N/N=C5\C(=O)C=Cc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c65)c(C)c4)cc3C)cc2)cc1 ZINC000299872392 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)cc1 ZINC000299872412 KK Annotated Mild CO[C@H]1C[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@@H]1O ZINC000299872484 KK Annotated Mild in-man CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@H]1O ZINC000299872485 KK Annotated Mild in-man CO[C@H]1C[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)/C(=N/O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)O[C@@H](C)[C@H]1O ZINC000299872486 KK Annotated Mild in-man CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872491 KK Annotated Anodyne in-man CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000299872495 KK Annotated Bother CC[C@]1(O)O[C@@H]([C@H]2C[C@H](C)[C@H]([C@]3(CC)CC[C@H]([C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O5)O4)O3)O2)[C@@H](C)C[C@H]1C ZINC000299872509 KK Annotated Anodyne in-man CC[C@]1(O)O[C@@H]([C@H]2C[C@H](C)[C@H]([C@]3(CC)CC[C@H]([C@]4(C)CC[C@@]5(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O5)O4)O3)O2)[C@@H](C)C[C@H]1C ZINC000299872510 KK Annotated Anodyne in-man CO[C@H]1C[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299872534 KK Annotated Anodyne in-man CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O ZINC000299872535 KK Annotated Anodyne in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872536 KK Annotated Anodyne in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872537 KK Annotated Anodyne in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872547 KK Annotated Anodyne in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872548 KK Annotated Anodyne in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](NC(C)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872549 KK Annotated Anodyne in-man CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872550 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872551 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000299872552 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@@H]2C(=O)N(c3ccc(-c4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000299872755 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)[C@@H]1c3ccc(C(C)(C)C)cc3[C@@H]2[C@H]2C(=O)N(c3ccc(-c4ccc(Cl)cc4)cc3)C(=O)[C@@H]12 ZINC000299872756 KK Annotated Anodyne CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000299873017 KK Annotated Anodyne CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000299873018 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@H]4O[C@@H]([C@@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000299873046 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000299873047 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)C[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]43O)O[C@@H](C)[C@H]1O ZINC000299873084 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)C[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]43O)O[C@@H](C)[C@@H]1O ZINC000299873085 KK Annotated Anodyne CO[C@H]1C[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)C[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]43O)O[C@@H](C)[C@H]1O ZINC000299873086 KK Annotated Anodyne CO[C@H]1C[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C5CCCCC5)O4)O3)OC(=O)[C@@H]3C=C(C)C[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@]43O)O[C@@H](C)[C@@H]1O ZINC000299873087 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873583 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873584 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873585 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873586 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000299873587 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000299873588 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000299873595 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299873608 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299873609 KK Annotated Anodyne C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]12 ZINC000299873610 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]12 ZINC000299873611 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]12 ZINC000299873612 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@@H]12 ZINC000299873613 KK Annotated Mild Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299873632 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299873633 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000299873638 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000299873639 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000299873644 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC(C)(C)O2)c1ccccc1 ZINC000299873645 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299873654 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299873655 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299873656 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299873669 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299873670 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000299873671 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873681 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873682 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873683 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299873684 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299873712 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299873713 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299873736 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299873737 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@H](C)CC ZINC000299873738 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@@H](C)CC ZINC000299873739 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299873740 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1[C@H](C)CC ZINC000299873741 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000299873758 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000299873759 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c1 ZINC000299873765 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c1 ZINC000299873766 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c1 ZINC000299873767 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c1 ZINC000299873768 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299873769 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299873770 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299873771 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299873795 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299873796 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000299873797 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000299873798 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299873804 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299873805 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299873806 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000299873815 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299873816 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299873817 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873839 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873840 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873841 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873842 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299873847 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299873848 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873882 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873883 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873884 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873885 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873892 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299873893 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000299873894 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299873895 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299873896 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299873905 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299873906 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299873907 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299873908 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299873909 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299873914 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299873915 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2Cl)n3Cc2cccc3ccccc23)CC1 ZINC000299873916 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299873930 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000299873934 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)ccc2c1 ZINC000299873935 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)[C@@H](O)c3ccccc3)ccc2c1 ZINC000299873936 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299873978 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299873979 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299873980 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299874005 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299874006 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299874007 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299874008 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299874009 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299874010 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299874011 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000299874012 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299874017 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299874018 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299874060 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299874061 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000299874077 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000299874078 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299874118 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299874119 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3O)ccc2c1 ZINC000299874122 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3O)ccc2c1 ZINC000299874123 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3O)ccc2c1 ZINC000299874124 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874131 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874132 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874133 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874134 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299874169 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299874170 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299874175 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299874176 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 ZINC000299874227 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2O)cc1 ZINC000299874228 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000299874229 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874259 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874260 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299874272 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299874273 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299874274 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299874275 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000299874318 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000299874319 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)NC67CC8CC(CC(C8)C6)C7)CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299874349 KK Annotated Anodyne CC(C)(C(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)O ZINC000299874350 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)NC67CC8CC(CC(C8)C6)C7)CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299874351 KK Annotated Anodyne CC(C)(C(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)O ZINC000299874352 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCOc3ccccc3)ccc2c1 ZINC000299874364 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCOc3ccccc3)ccc2c1 ZINC000299874365 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299874378 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299874379 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299874380 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299874381 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874386 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874387 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000299874431 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000299874432 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874443 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874444 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874445 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874446 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299874459 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299874460 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299874461 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299874462 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299874463 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299874464 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299874465 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299874466 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299874510 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299874511 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874571 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874572 KK Annotated Anodyne Cc1ccccc1Nc1nc2cc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)ccc2n1Cc1cccc2ccccc12 ZINC000299874573 KK Annotated Anodyne CC[C@H](C)[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000299874574 KK Annotated Anodyne CC[C@H](C)[C@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)C(c1ccccc1)c1ccccc1 ZINC000299874575 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000299874607 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000299874608 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299874643 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299874657 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299874658 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000299874659 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299874670 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299874671 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299874683 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299874684 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299874685 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299874686 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874710 KK Annotated Mild C[C@H]1[C@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299874711 KK Annotated Mild CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874715 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874716 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000299874723 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000299874724 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874727 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874728 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299874733 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299874734 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299874735 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1)OCC ZINC000299874740 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1)OCC ZINC000299874741 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299874752 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299874753 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000299874754 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000299874755 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000299874768 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCCCC1)O2 ZINC000299874769 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299874770 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299874771 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@@H](NC(C)=O)C3)ccc2c1 ZINC000299874780 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N3CC[C@H](NC(C)=O)C3)ccc2c1 ZINC000299874781 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N3CC[C@@H](NC(C)=O)C3)ccc2c1 ZINC000299874782 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874787 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874788 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299874789 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874792 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299874793 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000299874839 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000299874842 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000299874843 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000299874858 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1cccc2ccccc12 ZINC000299874859 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000299874862 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000299874863 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000299874874 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000299874875 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299874878 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299874879 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000299874889 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000299874890 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299874891 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299874892 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299874893 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299874894 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874895 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299874896 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299874914 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299874915 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299874916 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874921 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874922 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874923 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299874924 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299874925 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000299874926 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000299874940 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299874947 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299874948 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299874961 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCc3ccccc32)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299874962 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299874967 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299874968 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299874969 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299874970 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000299875004 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000299875005 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299875028 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299875029 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299875044 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299875045 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000299875050 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000299875051 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000299875079 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000299875080 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cc(OC)ccc3OC)C2)c1 ZINC000299875081 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875084 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875085 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c1 ZINC000299875103 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c1 ZINC000299875104 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c1 ZINC000299875105 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c1 ZINC000299875106 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875110 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875111 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875112 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299875113 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299875120 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299875121 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299875139 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299875140 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC ZINC000299875157 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC ZINC000299875158 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299875171 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299875172 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299875173 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299875174 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299875192 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299875193 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299875212 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299875213 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299875214 KK Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC=C2C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@]3(O)CC[C@@]21C ZINC000299875218 KK Annotated Mild CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299875223 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299875224 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000299875242 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@H](C)c2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000299875243 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299875273 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299875274 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299875275 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299875276 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000299875277 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299875294 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299875295 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299875321 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299875322 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299875323 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299875324 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000299875326 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000299875327 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299875383 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299875384 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299875395 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299875396 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299875397 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299875398 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000299875401 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000299875402 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC ZINC000299875484 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC ZINC000299875485 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875492 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875493 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299875494 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875518 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875519 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875520 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875521 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875541 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875542 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875543 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299875544 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000299875545 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000299875546 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000299875547 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000299875548 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299875555 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299875556 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299875557 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299875558 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299875578 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299875579 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299875580 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299875581 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000299875584 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000299875585 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299875599 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299875600 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299875601 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299875602 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000299875607 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000299875608 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O ZINC000299875609 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000299875650 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000299875651 KK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000299875656 KK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000299875657 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000299875672 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000299875673 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299875674 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299875675 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299875676 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000299875677 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000299875678 KK Annotated Anodyne CC1(C)C(=O)N(Cc2ccccc2)C(=O)C[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 ZINC000299875687 KK Annotated Anodyne CC1(C)C(=O)N(Cc2ccccc2)C(=O)C[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 ZINC000299875688 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)N(Cc7ccccc7)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299875689 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(=O)N(Cc7ccccc7)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299875690 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299875727 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299875728 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000299875729 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)c1 ZINC000299875730 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299875733 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299875734 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299875735 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299875736 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000299875739 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3cc(OC)c(OC)c(OC)c3)ccc2c1 ZINC000299875740 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000299875753 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000299875754 KK Annotated Mild COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299875762 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299875763 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299875818 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299875819 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299875824 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299875825 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299875826 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299875827 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000299875833 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000299875834 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000299875835 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000299875836 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299875842 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299875843 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299875855 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299875856 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000299875866 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000299875867 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299875868 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299875869 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299875913 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299875914 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299875915 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000299875938 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000299875939 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299875960 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299875961 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299875962 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299875963 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299875998 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299875999 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299876007 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299876008 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299876012 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299876013 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000299876014 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCc3ccc(F)cc3)ccc2c1 ZINC000299876015 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876018 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876019 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299876020 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2Br)n3Cc2cccc3ccccc23)CC1 ZINC000299876027 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299876049 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299876050 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299876051 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299876052 KK Annotated Anodyne COc1ccccc1Nc1nc2cc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)ccc2n1Cc1cccc2ccccc12 ZINC000299876059 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299876060 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299876061 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299876114 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299876115 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299876134 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299876135 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000299876161 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000299876162 KK Annotated Mild C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299876163 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299876164 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299876172 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299876173 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299876174 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299876175 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299876225 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299876226 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299876253 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299876254 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299876263 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299876264 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000299876268 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000299876269 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299876277 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299876278 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299876298 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299876299 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299876300 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299876301 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299876316 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000299876317 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299876322 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299876323 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299876324 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299876325 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876326 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876327 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876328 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299876329 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299876334 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H]3CCc4ccccc43)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299876335 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299876342 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299876343 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299876346 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299876347 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876369 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876370 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876371 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876372 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299876373 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299876383 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000299876384 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299876403 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299876404 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299876405 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299876406 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C(F)(F)F)cc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299876426 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C(F)(F)F)cc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299876427 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000299876442 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000299876443 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000299876471 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299876472 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299876473 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000299876480 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000299876481 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299876496 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299876497 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299876507 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299876508 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299876509 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299876510 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299876511 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299876512 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000299876574 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000299876575 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299876584 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299876585 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299876586 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299876587 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299876588 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299876589 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299876610 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299876611 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299876678 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299876679 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299876692 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299876693 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299876694 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299876705 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299876706 KK Annotated Anodyne CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000299876741 KK Annotated Reactive CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000299876742 KK Annotated Reactive CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C ZINC000299876743 KK Annotated Reactive CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C ZINC000299876744 KK Annotated Reactive CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299876752 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299876753 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299876754 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299876755 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299876758 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299876759 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299876760 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299876771 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299876772 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299876773 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299876774 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876804 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299876805 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299876815 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299876816 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299876817 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299876818 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299876836 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299876837 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)[C@@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299876838 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299876839 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000299876860 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000299876861 KK Annotated Mild CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299876866 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299876867 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299876868 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299876869 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299876870 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299876875 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299876876 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299876877 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299876878 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299876897 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299876898 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299876912 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299876913 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299876914 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000299876915 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000299876916 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000299876917 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299876933 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299876934 KK Annotated Anodyne CN1CCC[C@@H]1COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000299876951 KK Annotated Anodyne CN1CCC[C@H]1COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000299876952 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299876976 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299876977 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299876978 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299876979 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299876980 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299876981 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)NCc1ccccc1 ZINC000299877013 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)NCc1ccccc1 ZINC000299877014 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)NCc1ccccc1 ZINC000299877015 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)NCc1ccccc1 ZINC000299877016 KK Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(CCCCNC(=O)OCc5ccc(Cl)cc5Cl)nc4n3)C[C@H]2C)c1 ZINC000299877030 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877053 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877054 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877055 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299877056 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877057 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877058 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877059 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877060 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299877079 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299877080 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299877081 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000299877087 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000299877088 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299877111 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299877112 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299877113 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299877114 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299877115 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299877116 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299877117 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299877118 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299877143 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299877144 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299877145 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299877146 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000299877151 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000299877152 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](C)c3cccc4ccccc34)ccc2c1 ZINC000299877191 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)c3cccc4ccccc34)ccc2c1 ZINC000299877192 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1 ZINC000299877193 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877204 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877205 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877206 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299877235 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299877236 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299877248 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299877249 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299877250 KK Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(CCCCNC(=O)OCc5ccccc5)nc4n3)C[C@H]2C)c1 ZINC000299877255 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299877256 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299877257 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000299877258 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000299877269 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000299877270 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877297 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877298 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877299 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877300 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000299877302 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000299877303 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877310 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877311 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299877312 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299877313 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299877314 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877324 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299877325 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299877342 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299877343 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299877344 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000299877355 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000299877356 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000299877357 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 ZINC000299877358 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877372 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299877373 KK Annotated Anodyne COc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2Cc2cccc3ccccc23)cc1 ZINC000299877382 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299877383 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299877384 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299877385 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299877386 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299877399 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299877400 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299877409 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299877410 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299877411 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299877412 KK Annotated Anodyne CC1(C)C(=O)[C@]2(C(=O)C(=O)N(Cc3ccccc3)C2=O)[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 ZINC000299877413 KK Annotated Anodyne CC1(C)C(=O)[C@]2(C(=O)C(=O)N(Cc3ccccc3)C2=O)[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 ZINC000299877414 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)[C@@H](CC[C@]54C)C(C)(C)C(=O)[C@]64C(=O)C(=O)N(Cc5ccccc5)C4=O)[C@@H]2[C@H]1OC3=O ZINC000299877415 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)[C@@H](CC[C@]54C)C(C)(C)C(=O)[C@]64C(=O)C(=O)N(Cc5ccccc5)C4=O)[C@H]2[C@H]1OC3=O ZINC000299877416 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000299877425 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000299877426 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000299877431 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299877432 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000299877435 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000299877436 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299877437 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299877438 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299877439 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299877440 KK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299877441 KK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299877442 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299877461 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299877462 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299877463 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299877468 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299877469 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299877481 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299877482 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299877487 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299877488 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299877489 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299877521 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299877522 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)c1 ZINC000299877523 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000299877550 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000299877551 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299877552 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299877553 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299877554 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877573 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299877574 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000299877578 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000299877579 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299877580 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299877581 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299877582 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299877583 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12)OCC ZINC000299877595 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12)OCC ZINC000299877596 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877597 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299877598 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299877620 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299877621 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877622 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877623 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299877631 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000299877632 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299877633 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299877634 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299877635 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299877648 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299877649 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299877683 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299877684 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299877685 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299877686 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299877691 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299877692 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299877693 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299877694 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000299877740 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(OC)c1OC ZINC000299877741 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299877750 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299877751 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000299877762 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000299877763 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000299877764 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877785 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877786 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877787 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299877788 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299877789 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299877790 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299877791 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299877792 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000299877831 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000299877832 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299877841 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299877842 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000299877855 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)CC(C)(C)C)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299877856 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299877897 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299877898 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299877899 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299877907 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299877908 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877921 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299877922 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000299877944 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000299877945 KK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299877952 KK Annotated Anodyne C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299877953 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877983 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877984 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877985 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)c1 ZINC000299877986 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299878027 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1 ZINC000299878028 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299878042 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299878043 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878052 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878053 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878054 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878055 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000299878056 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878068 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299878071 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299878072 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299878081 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299878082 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000299878128 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000299878129 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878139 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878140 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878141 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878142 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000299878155 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000299878156 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878157 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878158 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878159 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878160 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299878166 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299878167 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000299878195 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000299878196 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878241 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299878242 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)c1 ZINC000299878247 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)c1 ZINC000299878248 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)c1 ZINC000299878249 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299878250 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299878251 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000299878252 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000299878275 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000299878276 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299878283 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299878284 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000299878295 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCc3c(Cl)cccc3Cl)ccc2c1 ZINC000299878296 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299878297 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299878298 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299878299 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299878300 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299878301 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299878302 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299878303 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299878304 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000299878307 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000299878308 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000299878318 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@H]2CCc3ccccc32)nc(Oc2ccc(OC)cc2)n1 ZINC000299878319 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299878328 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299878329 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299878330 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299878331 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299878347 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299878348 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299878349 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299878350 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299878371 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299878372 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299878373 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299878374 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299878375 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299878376 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299878377 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299878399 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299878400 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000299878413 KK Annotated Anodyne Cc1cccc2c1NC(=O)[C@H](CSCc1ccccc1)N([C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)C2=O ZINC000299878414 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299878421 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299878422 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299878437 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299878438 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc(C)c3)n2)cc1OC ZINC000299878463 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299878464 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299878465 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299878484 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)Nc2cc3ccccc3cc2C(=O)N1[C@@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000299878485 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299878494 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299878495 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299878557 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000299878558 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299878559 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000299878606 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000299878607 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000299878608 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000299878609 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)[C@H](O)c1ccccc1 ZINC000299878630 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299878631 KK Annotated Anodyne Cc1ccc([C@@H]2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000299878638 KK Annotated Anodyne Cc1ccc([C@@H]2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000299878639 KK Annotated Anodyne Cc1ccc([C@@H]2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)C[C@H]2COc2ccc3c(c2)OCO3)cc1 ZINC000299878640 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299878641 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299878642 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878643 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878644 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878645 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299878646 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000299878647 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3c(Cl)cccc3NC(=O)[C@@H]2Cc2ccccc2)cc1 ZINC000299878648 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878669 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878670 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299878689 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299878690 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299878691 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299878698 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299878699 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299878700 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299878715 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299878716 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299878739 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299878740 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299878741 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 ZINC000299878742 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299878752 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299878753 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299878757 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299878758 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299878759 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000299878760 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000299878788 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000299878789 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000299878790 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000299878791 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878802 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878803 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878804 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299878805 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299878806 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000299878807 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000299878809 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000299878810 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299878825 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299878826 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299878827 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299878828 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299878846 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299878847 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299878848 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299878849 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000299878850 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2Cc2cccc3ccccc23)cc1 ZINC000299878857 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299878864 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299878865 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299878866 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878899 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299878900 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299878931 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299878932 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000299878933 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878934 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878935 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878936 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299878937 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)[C@H](O)c1ccccc1 ZINC000299878967 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299878968 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299878971 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299878972 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299878976 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299878977 KK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299878999 KK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299879000 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299879033 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299879034 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000299879040 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000299879041 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299879057 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@H](C)CC ZINC000299879058 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299879059 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299879060 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299879067 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299879068 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299879069 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299879070 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299879086 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299879087 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299879088 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299879101 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299879102 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299879122 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299879123 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299879124 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299879125 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299879128 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299879129 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000299879130 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299879178 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299879179 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299879180 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000299879185 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000299879186 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299879190 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299879191 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299879192 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299879193 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299879206 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299879207 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299879208 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299879209 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879225 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879226 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879227 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879228 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299879239 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299879240 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299879241 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299879242 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299879249 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299879250 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299879251 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299879252 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299879257 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299879258 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299879259 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCCSC)ccc2c1 ZINC000299879296 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCCSC)ccc2c1 ZINC000299879297 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000299879314 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000299879315 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000299879316 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299879321 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299879326 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299879327 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879332 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879333 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299879357 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299879358 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299879359 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000299879360 KK Annotated Mild CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879361 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879362 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879363 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879364 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879365 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879366 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879367 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879368 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299879402 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299879403 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879432 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299879433 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879436 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879437 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879438 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879439 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000299879447 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000299879448 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC ZINC000299879463 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC ZINC000299879464 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000299879465 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC ZINC000299879466 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000299879526 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000299879527 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000299879528 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879535 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879536 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879537 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299879538 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299879550 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299879551 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2cccc(Br)c2)n3Cc2cccc3ccccc23)CC1 ZINC000299879575 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000299879581 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000299879582 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H]7[C@H](C(C)(C)[C@@H]6CC[C@]54C)C7(Cl)Cl)[C@H]2[C@H]1OC3 ZINC000299879592 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H]7[C@H](C(C)(C)[C@H]6CC[C@]54C)C7(Cl)Cl)[C@@H]2[C@H]1OC3 ZINC000299879593 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H]7[C@H](C(C)(C)[C@H]6CC[C@]54C)C7(Cl)Cl)[C@H]2[C@H]1OC3 ZINC000299879594 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H]7[C@H](C(C)(C)[C@@H]6CC[C@]54C)C7(Cl)Cl)[C@@H]2[C@H]1OC3 ZINC000299879595 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299879605 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299879606 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299879611 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299879612 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299879613 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299879614 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299879615 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299879616 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299879628 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299879629 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299879630 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299879631 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299879632 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299879633 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000299879646 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000299879647 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299879650 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299879651 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299879652 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299879670 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299879671 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299879672 KK Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@]23O[C@]4(CC[C@]12C)C3=CC(=O)[C@@H]1C[C@H]2OC(C)(C)O[C@H]2C[C@@]14C ZINC000299879677 KK Annotated Mild CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299879680 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299879681 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299879682 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299879695 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000299879696 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879709 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879710 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1cccc2ccccc12 ZINC000299879711 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299879712 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299879716 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299879717 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299879776 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299879777 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299879790 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299879791 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299879792 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)OCC ZINC000299879793 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299879804 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299879805 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299879806 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299879807 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000299879824 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000299879825 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000299879826 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299879837 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299879838 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299879839 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299879849 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299879850 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299879851 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299879852 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299879869 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299879870 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299879875 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299879876 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000299879902 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299879903 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299879904 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299879905 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299879906 KK Annotated Anodyne COc1ccc(CN2C(=O)C(=O)[C@@]3(C2=O)C(=O)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC[C@H]5[C@@H]6[C@H]7OC(=O)[C@@]6(CCC7(C)C)CC[C@]54C)[C@]23C)cc1 ZINC000299879910 KK Annotated Anodyne COc1ccc(CN2C(=O)C(=O)[C@@]3(C2=O)C(=O)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC[C@@H]5[C@@H]6[C@H]7OC(=O)[C@@]6(CCC7(C)C)CC[C@]54C)[C@]23C)cc1 ZINC000299879911 KK Annotated Anodyne COc1ccc(CN2C(=O)C(=O)[C@@]3(C2=O)C(=O)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC[C@@H]5[C@H]6[C@H]7OC(=O)[C@@]6(CCC7(C)C)CC[C@]54C)[C@]23C)cc1 ZINC000299879912 KK Annotated Anodyne COc1ccc(CN2C(=O)C(=O)[C@@]3(C2=O)C(=O)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC[C@H]5[C@H]6[C@H]7OC(=O)[C@@]6(CCC7(C)C)CC[C@]54C)[C@]23C)cc1 ZINC000299879913 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299879926 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299879927 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299879928 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299879929 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299879954 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000299879955 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299879956 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299879963 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299879964 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1)OCC ZINC000299879965 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1)OCC ZINC000299879966 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299879980 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000299879981 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299879997 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299879998 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299880012 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299880013 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccccc3N)ccc2c1 ZINC000299880014 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccccc3N)ccc2c1 ZINC000299880015 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2C(C)C)cc1 ZINC000299880018 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2C(C)C)cc1 ZINC000299880019 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880060 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880061 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880062 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880063 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299880081 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299880082 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299880083 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299880084 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000299880109 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000299880110 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299880138 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299880139 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880173 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880174 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880175 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880176 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880179 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299880180 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000299880197 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000299880198 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880199 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880200 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880201 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299880206 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299880207 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880212 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299880213 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000299880214 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299880215 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880217 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880218 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880224 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880225 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299880226 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299880242 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299880243 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299880244 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299880245 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299880250 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299880251 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299880254 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299880255 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299880256 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299880257 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000299880260 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000299880261 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000299880278 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000299880279 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299880280 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299880281 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880282 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880283 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880284 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880285 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299880315 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299880316 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000299880330 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000299880331 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299880348 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299880349 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299880357 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299880358 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299880359 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000299880360 KK Annotated Anodyne CC(C)(C)c1cc([C@@H]([P@](=O)(O)[C@H](O)c2cccnc2)[P@](=O)(O)[C@@H](O)c2cccnc2)cc(C(C)(C)C)c1O ZINC000299880361 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299880366 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299880367 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299880374 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299880375 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299880376 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299880377 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880392 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880393 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299880394 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880412 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880413 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299880435 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299880436 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299880443 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299880444 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299880445 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000299880448 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000299880449 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299880450 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299880451 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299880452 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299880453 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000299880468 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC1(CCCCC1)O2 ZINC000299880469 KK Annotated Anodyne COc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000299880470 KK Annotated Anodyne COc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000299880471 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299880472 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299880473 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299880474 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299880507 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299880508 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299880515 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299880516 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000299880521 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000299880522 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000299880527 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000299880528 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299880552 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000299880553 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299880554 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880555 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880556 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccc(N)cc3)ccc2c1 ZINC000299880561 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccc(N)cc3)ccc2c1 ZINC000299880562 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000299880587 KK Annotated Anodyne Cc1ccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1Cl ZINC000299880588 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O)OCc1ccc(Cl)cc1Cl ZINC000299880598 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000299880599 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000299880600 KK Annotated Anodyne CC(C)(C(=O)O)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)NCc1ccccc1 ZINC000299880615 KK Annotated Anodyne CC(C)(C(=O)O)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)NCc1ccccc1 ZINC000299880616 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)NCc6ccccc6)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299880617 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)NCc6ccccc6)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299880618 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](C)[C@@H](O)c3ccccc3)ccc2c1 ZINC000299880631 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000299880632 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)ccc2c1 ZINC000299880633 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000299880644 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000299880645 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299880648 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299880649 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299880650 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299880651 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000299880652 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299880653 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299880654 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000299880667 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000299880668 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880692 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299880693 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880699 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880700 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880701 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880702 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000299880732 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000299880733 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880744 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299880745 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299880746 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880758 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880759 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000299880776 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000299880777 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880785 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880786 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299880787 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299880788 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299880793 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299880794 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299880795 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299880796 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000299880803 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000299880804 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299880847 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299880848 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000299880858 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000299880859 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000299880860 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880861 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299880862 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880883 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880884 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299880892 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299880893 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299880894 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000299880907 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000299880908 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@H]43)ccc2nc1O)OCc1ccccc1Cl ZINC000299880919 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1)c1ccccc1 ZINC000299880933 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1CSCc1ccccc1)c1ccccc1 ZINC000299880934 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880945 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880946 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880947 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000299880948 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880956 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880957 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880958 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880959 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880960 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880961 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880962 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299880963 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880974 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880975 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880976 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CN(C)C(=O)c2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299880977 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880995 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880996 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880997 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299880998 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299880999 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881000 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299881046 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299881047 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000299881048 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299881065 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c(OC)c1OC ZINC000299881066 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000299881067 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c(OC)c1OC ZINC000299881068 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000299881084 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000299881085 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000299881096 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000299881097 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299881098 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299881099 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000299881175 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299881176 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299881177 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299881180 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299881181 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299881194 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299881195 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299881196 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)CCCc3ccc(OC)c(OC)c3)C2)c1 ZINC000299881197 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299881203 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299881204 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299881210 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299881211 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299881212 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccccc4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299881213 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299881226 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299881227 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000299881228 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299881259 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299881260 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881263 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299881264 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299881274 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299881275 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299881276 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299881277 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881300 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881301 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881302 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881303 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000299881320 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)c1 ZINC000299881321 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299881329 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299881330 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCCSC)ccc2c1 ZINC000299881337 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCCSC)ccc2c1 ZINC000299881338 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299881339 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299881340 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299881341 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)nc(Oc2ccc(OC)cc2)n1 ZINC000299881342 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299881351 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299881352 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299881353 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299881354 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3ccccc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299881357 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3ccccc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299881358 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299881364 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299881365 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299881366 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299881372 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299881373 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299881379 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299881380 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299881383 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299881384 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299881389 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299881390 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881397 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881398 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000299881399 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000299881400 KK Annotated Anodyne Cc1cccc(Nc2nc3cc(C(=O)NC[C@@H]4CC[C@@H](C(N)=O)CC4)ccc3n2Cc2cccc3ccccc23)c1 ZINC000299881414 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299881430 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299881431 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299881433 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299881434 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000299881435 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000299881442 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299881450 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299881451 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299881452 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299881470 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299881471 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299881472 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299881473 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299881474 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299881475 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299881480 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299881481 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000299881496 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C[C@H](C)c1ccccc1)C(=O)NCCN1CCOCC1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299881497 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299881498 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299881499 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299881500 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299881501 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccccc3F)ccc2c1 ZINC000299881502 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccccc3F)ccc2c1 ZINC000299881503 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000299881512 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3cccc(OC(F)(F)F)c3)ccc2c1 ZINC000299881513 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299881514 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299881515 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299881518 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299881519 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299881520 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299881521 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299881522 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299881523 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299881524 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299881525 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299881526 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299881527 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299881528 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299881529 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2cccc4ccccc24)n3Cc2cccc3ccccc23)CC1 ZINC000299881537 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299881538 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299881539 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299881543 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299881544 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299881556 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299881557 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299881558 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000299881576 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299881577 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299881578 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881579 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299881580 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299881612 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299881613 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299881614 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000299881615 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299881642 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299881643 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 ZINC000299881644 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000299881661 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000299881662 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299881692 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299881693 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299881694 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299881695 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299881705 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299881706 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299881707 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299881708 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299881725 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299881726 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299881738 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299881739 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299881740 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299881741 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299881748 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000299881749 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299881750 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299881751 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881768 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299881769 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299881778 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299881779 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299881787 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299881788 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000299881801 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000299881802 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299881810 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299881811 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299881828 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299881829 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299881830 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881859 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299881860 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](Cc1ccccc1)C(=O)N2 ZINC000299881878 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](Cc1ccccc1)C(=O)N2 ZINC000299881879 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000299881892 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000299881893 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)[C@H](O)c1ccccc1 ZINC000299881899 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299881900 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc2ccccc12 ZINC000299881923 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc2ccccc12 ZINC000299881924 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(C)c1ccc2nc(O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000299881925 KK Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299881926 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299881927 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299881928 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299881929 KK Annotated Anodyne CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@H]1C[C@@H](O)[C@@]2(C)O[C@H]2/C=C/[C@H](C)[C@@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@@H]2C(=O)O1 ZINC000299881933 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299881947 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299881948 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299881949 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000299881959 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000299881960 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000299881979 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccccc3OC)ccc2c1 ZINC000299881980 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299881983 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299881984 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299882008 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299882009 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000299882013 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000299882014 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000299882028 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299882029 KK Annotated Anodyne O=C(NCCC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299882030 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000299882063 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000299882064 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000299882065 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000299882066 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000299882067 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000299882068 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299882096 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299882097 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299882098 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299882107 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299882108 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299882109 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299882110 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000299882113 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299882114 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299882115 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299882118 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299882119 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H](CO)Cc3ccccc3)ccc2c1 ZINC000299882128 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@@H](CO)Cc3ccccc3)ccc2c1 ZINC000299882129 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](CO)Cc3ccccc3)ccc2c1 ZINC000299882130 KK Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[C@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C[C@H]12 ZINC000299882131 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299882134 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)Cc3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299882135 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299882136 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299882137 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882139 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882140 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299882149 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299882150 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299882151 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299882152 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882153 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299882154 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882171 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882172 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299882223 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299882224 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299882225 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)c(OC)c1OC ZINC000299882226 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299882240 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299882241 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299882245 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299882246 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000299882266 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000299882267 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000299882268 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc(OC)c1 ZINC000299882269 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000299882270 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000299882271 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299882286 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299882287 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299882288 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299882289 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCCSC)ccc2c1 ZINC000299882321 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)NCCCSC)ccc2c1 ZINC000299882322 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299882342 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299882343 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299882344 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000299882365 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000299882366 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1)c1ccccc1 ZINC000299882402 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1)c1ccccc1 ZINC000299882403 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000299882412 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000299882413 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299882414 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299882415 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299882430 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299882431 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299882446 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299882447 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299882457 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000299882458 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000299882471 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000299882472 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000299882495 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000299882496 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299882501 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299882502 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299882519 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299882520 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299882521 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299882534 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299882535 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000299882537 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000299882538 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000299882546 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000299882547 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CN(C)C(=O)c3ccccc3)C2)c1 ZINC000299882548 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@H](CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000299882567 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000299882568 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000299882600 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000299882601 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000299882602 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299882610 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000299882611 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299882612 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@H](CSCc1ccccc1)C(=O)N2 ZINC000299882613 KK Annotated Anodyne Cc1cc(C)c2c(c1)C(=O)N([C@H](C(=O)NCCN1CCOCC1)[C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](CSCc1ccccc1)C(=O)N2 ZINC000299882614 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299882652 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299882653 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299882654 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299882655 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000299882658 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000299882659 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299882695 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299882696 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299882697 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000299882698 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@@H](C)CC ZINC000299882710 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@@H](C)CC ZINC000299882711 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299882712 KK Annotated Anodyne C=CCCCCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(Cl)ccc2NC(=O)[C@H]1[C@H](C)CC ZINC000299882713 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000299882718 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000299882719 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299882720 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299882721 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299882722 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299882723 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000299882731 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000299882732 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299882740 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299882741 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299882742 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[C@@H]1O[C@@H](CCC(C)(C)O)[C@@](C)([C@@H]3CC[C@@]4(O)C5=CC(=O)[C@H]6C[C@H]7O[C@@H](C[C@@]8(C)CCc9c(C)c(O)c(C)c(C)c9O8)O[C@H]7C[C@]6(C)[C@H]5CC[C@]34C)O1)O2 ZINC000299882749 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[C@@H]1O[C@H](CCC(C)(C)O)[C@@](C)([C@@H]3CC[C@@]4(O)C5=CC(=O)[C@H]6C[C@H]7O[C@@H](C[C@@]8(C)CCc9c(C)c(O)c(C)c(C)c9O8)O[C@@H]7C[C@]6(C)[C@H]5CC[C@]34C)O1)O2 ZINC000299882750 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[C@@H]1O[C@@H](CCC(C)(C)O)[C@@](C)([C@@H]3CC[C@@]4(O)C5=CC(=O)[C@H]6C[C@H]7O[C@@H](C[C@@]8(C)CCc9c(C)c(O)c(C)c(C)c9O8)O[C@@H]7C[C@]6(C)[C@H]5CC[C@]34C)O1)O2 ZINC000299882751 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C[C@@H]1O[C@H](CCC(C)(C)O)[C@@](C)([C@@H]3CC[C@@]4(O)C5=CC(=O)[C@H]6C[C@H]7O[C@@H](C[C@@]8(C)CCc9c(C)c(O)c(C)c(C)c9O8)O[C@H]7C[C@]6(C)[C@H]5CC[C@]34C)O1)O2 ZINC000299882752 KK Annotated Mild CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000299882753 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000299882754 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299882759 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299882760 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)c3cccc4ccccc34)ccc2c1 ZINC000299882761 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@@H](C)c3cccc4ccccc34)ccc2c1 ZINC000299882762 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N[C@H](C)c3cccc4ccccc34)ccc2c1 ZINC000299882763 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@H](C[C@H]1Nc1ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n1)C2(C)C ZINC000299882806 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299882807 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299882808 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000299882809 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000299882814 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000299882815 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299882827 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)CN(C)C(=O)c1ccccc1)c1cccc2ccccc12 ZINC000299882828 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000299882834 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000299882835 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000299882836 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)[C@H](O)c1ccccc1 ZINC000299882837 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299882838 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299882839 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299882847 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299882848 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)C(=O)c1ccccc1 ZINC000299882849 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299882850 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299882851 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299882852 KK Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CCC2=C3CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000299882882 KK Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CCC2=C3CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000299882883 KK Annotated Anodyne C=C1[C@@H]([C@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C\[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@H]2[C@@H]1O ZINC000299882910 KK Annotated Mild C=C1[C@@H]([C@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000299882911 KK Annotated Mild C=C1[C@@H]([C@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C\[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@@H]2[C@@H]1O ZINC000299882912 KK Annotated Mild C=C1[C@@H]([C@H](O)C[C@H](C)[C@@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@H]2[C@@H]1O ZINC000299882913 KK Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299882925 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299882926 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299882933 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299882934 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299882935 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299882936 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299882937 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299882938 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299882939 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299882950 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299882951 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882963 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299882964 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NC[C@H](O)c3ccccc3)ccc2c1 ZINC000299882985 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NC[C@@H](O)c3ccccc3)ccc2c1 ZINC000299882986 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299882994 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299882995 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299882996 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299883042 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299883043 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299883047 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299883048 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299883049 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299883050 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299883057 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299883058 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299883059 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299883060 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000299883084 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299883085 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299883086 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000299883087 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299883088 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299883089 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299883090 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299883105 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299883106 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299883117 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1cccc2ccccc12 ZINC000299883118 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)cc1 ZINC000299883161 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)cc1 ZINC000299883162 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)cc1 ZINC000299883163 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000299883200 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000299883201 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cc[nH]c6C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000299883213 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cc[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000299883214 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cc[nH]c6C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000299883215 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cc[nH]c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000299883216 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299883221 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@H]2CSCc2ccccc2)cc1 ZINC000299883222 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299883246 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299883247 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299883262 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000299883263 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299883274 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000299883275 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299883349 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299883350 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299883351 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299883352 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883362 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883363 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000299883369 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000299883370 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000299883375 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCc3ccccc3Br)ccc2c1 ZINC000299883376 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299883393 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cc(OC)c(OC)c(OC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299883394 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299883395 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299883396 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000299883398 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000299883399 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299883413 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000299883414 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000299883419 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000299883420 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000299883423 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000299883424 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1 ZINC000299883435 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299883436 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1 ZINC000299883437 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299883440 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299883441 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000299883442 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000299883443 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CCNC(=O)OCc3ccccc3)C2)cc1 ZINC000299883444 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299883445 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299883446 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299883447 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299883448 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299883478 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299883479 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccc(F)cc2)n3Cc2cccc3ccccc23)CC1 ZINC000299883483 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299883492 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299883493 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3C)s2)c1 ZINC000299883535 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3C)s2)c1 ZINC000299883536 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299883546 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000299883547 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299883548 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000299883584 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1Cl ZINC000299883585 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299883601 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299883602 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299883603 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299883604 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 ZINC000299883605 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299883612 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 ZINC000299883613 KK Annotated Anodyne Cc1cccc(N2CCN(c3ccc4nc(O)c(CCCCNC(=O)OCc5ccccc5Cl)nc4n3)C[C@H]2C)c1 ZINC000299883637 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000299883662 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000299883663 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000299883666 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299883667 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299883668 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000299883678 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N3CC[C@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000299883679 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)ccc2c1 ZINC000299883680 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299883705 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299883706 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299883721 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299883722 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299883723 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCc3ccccc32)cc1OC ZINC000299883724 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000299883725 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299883726 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299883727 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299883737 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299883738 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299883739 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883745 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883746 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3F)s2)c1 ZINC000299883751 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3F)s2)c1 ZINC000299883752 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299883760 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299883761 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299883762 KK Annotated Anodyne CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299883767 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299883768 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299883772 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299883773 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299883774 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)c(OC)c1 ZINC000299883775 KK Annotated Anodyne CN1CCN(C(=O)C[C@@]2(C)[C@H](C(C)(C)C(=O)O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]23C)CC1 ZINC000299883778 KK Annotated Anodyne CN1CCN(C(=O)C[C@@]2(C)[C@H](C(C)(C)C(=O)O)CC[C@]3(C)[C@@H]2CC[C@H]2[C@@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]23C)CC1 ZINC000299883779 KK Annotated Anodyne CN1CCN(C(=O)C[C@@]2(C)[C@H](C(C)(C)C(=O)O)CC[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]23C)CC1 ZINC000299883780 KK Annotated Anodyne CN1CCN(C(=O)C[C@@]2(C)[C@H](C(C)(C)C(=O)O)CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H]5OC(=O)[C@@]4(CCC5(C)C)CC[C@]23C)CC1 ZINC000299883781 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299883787 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299883788 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)CCNC(=O)OCc2ccccc2)C1 ZINC000299883789 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299883815 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299883816 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000299883817 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000299883818 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)CNC(=O)OCc3ccccc3)C2)c1 ZINC000299883819 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299883836 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299883841 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3cccc(OC(F)(F)F)c3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299883842 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000299883874 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000299883875 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299883880 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299883881 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299883882 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299883883 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883901 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299883902 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299883935 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299883936 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000299883958 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)CC1(CCCCC1)O2 ZINC000299883959 KK Annotated Mild COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299883986 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)CCc3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299883987 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000299883993 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000299883994 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299884112 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299884113 KK Annotated Anodyne CC(C)Cn1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2cc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)CC3)ccc21 ZINC000299884124 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000299884127 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299884128 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299884170 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299884171 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299884172 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299884173 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1)c1ccccc1 ZINC000299884203 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1)c1ccccc1 ZINC000299884204 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299884219 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3OC)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299884220 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299884278 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299884279 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299884280 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299884281 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299884322 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299884323 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299884324 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299884328 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299884329 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000299884330 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000299884331 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299884335 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299884336 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884354 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299884355 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884358 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884359 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884360 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884361 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299884367 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299884368 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299884369 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299884370 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000299884396 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000299884397 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299884405 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1 ZINC000299884406 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299884420 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299884421 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299884422 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299884423 KK Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)O ZINC000299884437 KK Annotated Anodyne CC(C)(C(=O)NCc1ccccc1)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)O ZINC000299884438 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)NCc6ccccc6)CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299884439 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)NCc6ccccc6)CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299884440 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884461 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000299884462 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299884467 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299884468 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299884491 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299884492 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299884493 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000299884494 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000299884495 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000299884496 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299884506 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299884507 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299884508 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000299884512 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000299884513 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000299884514 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000299884515 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299884525 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2)c1ccccc1 ZINC000299884526 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000299884557 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000299884558 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000299884585 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299884586 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299884587 KK Annotated Anodyne C[C@H]1[C@@H]2C[C@H](C[C@H]1Nc1ncc(C(=O)N[C@@H]3C[C@H]4C[C@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n1)C2(C)C ZINC000299884588 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000299884595 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccc(-c2ccccc2)cc1 ZINC000299884596 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299884612 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)C1 ZINC000299884613 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884656 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884657 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299884658 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299884672 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299884673 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299884707 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299884708 KK Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299884715 KK Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299884716 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884720 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884721 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000299884743 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000299884744 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000299884753 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000299884754 KK Annotated Anodyne C=Cn1ccc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC[C@@H]4[C@@H]5[C@H](C(=C)C)CC[C@]5(COC(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]43C)[C@@]1(C)C2 ZINC000299884796 KK Annotated Mild C=Cn1ccc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC[C@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(COC(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]43C)[C@@]1(C)C2 ZINC000299884797 KK Annotated Mild C=Cn1ccc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC[C@H]4[C@@H]5[C@H](C(=C)C)CC[C@]5(COC(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]43C)[C@@]1(C)C2 ZINC000299884798 KK Annotated Mild C=Cn1ccc2c1C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(COC(c5ccccc5)(c5ccccc5)c5ccccc5)CC[C@]43C)[C@@]1(C)C2 ZINC000299884799 KK Annotated Mild CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299884800 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299884801 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299884807 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299884808 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299884827 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299884828 KK Annotated Anodyne NC(=O)[C@@H]1CC[C@@H](CNC(=O)c2ccc3c(c2)nc(Nc2ccccc2)n3Cc2cccc3ccccc23)CC1 ZINC000299884834 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299884835 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000299884836 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299884854 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299884855 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299884856 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299884857 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299884874 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299884875 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884876 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000299884877 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@H](O)c1ccccc1 ZINC000299884928 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)[C@@H](O)c1ccccc1 ZINC000299884929 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299884934 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299884935 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000299884953 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)c1 ZINC000299884954 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000299884968 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000299884969 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299885013 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299885014 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299885015 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299885016 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299885029 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299885030 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccccc3OCc3ccccc3)C2)cc1 ZINC000299885031 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885032 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885033 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885034 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885035 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885036 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885037 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299885040 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000299885041 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299885042 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299885046 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299885047 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299885048 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299885049 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000299885050 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000299885051 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299885059 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299885060 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000299885061 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000299885062 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000299885064 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000299885065 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000299885098 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCc3cccc(OC)c3OC)ccc2c1 ZINC000299885099 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299885100 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1OC ZINC000299885101 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299885102 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1OC ZINC000299885103 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299885122 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1 ZINC000299885123 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1 ZINC000299885124 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885125 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299885126 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000299885135 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000299885136 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)CC(C)C)cc1OC ZINC000299885137 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](CO)CC(C)C)cc1OC ZINC000299885138 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299885139 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000299885140 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885162 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885163 KK Annotated Anodyne C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 ZINC000299885171 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 ZINC000299885172 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 ZINC000299885173 KK Annotated Mild C=C(C)[C@H]1CC[C@@]2(C(=O)NCC(=O)NCC(=O)Oc3c(C)c(C)c4c(c3C)CC[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O4)CC[C@]3(C)[C@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]34C)[C@@H]12 ZINC000299885174 KK Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000299885179 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000299885180 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cnccn3)C2)cc1 ZINC000299885181 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000299885182 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000299885183 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299885206 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299885207 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299885208 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299885209 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000299885210 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000299885211 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299885221 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)C1 ZINC000299885222 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299885243 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299885244 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299885266 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)CCCc2ccc(OC)c(OC)c2)C1 ZINC000299885267 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885278 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885279 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885280 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885291 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885292 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299885312 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299885313 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299885320 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299885321 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299885349 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299885350 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299885351 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@H]1C2(C)C ZINC000299885352 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885365 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885366 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299885380 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299885381 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)[C@@H](O)c3ccccc3)ccc2c1 ZINC000299885386 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H](C)[C@H](O)c3ccccc3)ccc2c1 ZINC000299885387 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H](C)[C@@H](O)c3ccccc3)ccc2c1 ZINC000299885388 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299885402 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299885403 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299885404 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299885405 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000299885413 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000299885414 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000299885415 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)ccc1OC ZINC000299885416 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299885423 KK Annotated Anodyne CCC[C@@H](C)C[C@H](C)C[C@H](C)/C(O)=C/C(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1 ZINC000299885430 KK Annotated Mild CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299885431 KK Annotated Anodyne CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2c(Cl)cccc2NC(=O)[C@@H]1CSCc1ccccc1 ZINC000299885432 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000299885434 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000299885435 KK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000299885440 KK Annotated Anodyne Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000299885441 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299885448 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299885449 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885452 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885453 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885454 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)N6CCCCC6)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299885458 KK Annotated Anodyne CC(C)(C(=O)O)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)N1CCCCC1 ZINC000299885459 KK Annotated Anodyne CC(C)(C(=O)O)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)N1CCCCC1 ZINC000299885460 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)N6CCCCC6)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299885461 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299885510 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299885511 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299885512 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299885513 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299885514 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299885515 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(OC)c1OC ZINC000299885516 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(OC)c1OC ZINC000299885517 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885541 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299885542 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885566 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885567 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885568 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885569 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299885572 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)C1 ZINC000299885573 KK Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299885580 KK Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299885581 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000299885582 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000299885583 KK Annotated Mild CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299885588 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000299885589 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299885602 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299885603 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299885604 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000299885605 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299885608 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000299885609 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3)s2)c1 ZINC000299885610 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3)s2)c1 ZINC000299885611 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299885626 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299885627 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000299885628 KK Annotated Anodyne O=C(NCC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000299885629 KK Annotated Anodyne O=C(NCC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299885630 KK Annotated Anodyne O=C(NCC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299885631 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299885642 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299885643 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299885644 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299885645 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299885661 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299885662 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299885702 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299885703 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299885704 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)C[C@H]2C[C@H]1C2(C)C ZINC000299885705 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299885713 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12 ZINC000299885714 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885736 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000299885737 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885770 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885771 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299885784 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1 ZINC000299885785 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885786 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885787 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885788 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@H]3C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc2c1 ZINC000299885789 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299885804 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299885805 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299885814 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000299885815 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299885822 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299885823 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299885824 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2c1 ZINC000299885825 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299885826 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299885827 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299885830 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299885831 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccc(Oc4ccccc4)c3)C2)c1 ZINC000299885832 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885837 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885838 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299885856 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NC[C@@H](O)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000299885857 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885865 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885866 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885867 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000299885868 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885871 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885872 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885873 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000299885874 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299885875 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000299885876 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000299885878 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000299885879 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299885898 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299885899 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000299885900 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299885928 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299885929 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299885943 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299885944 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299885945 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299885948 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299885949 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299885956 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299885957 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000299885958 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299885959 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299885960 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885972 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885973 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299885974 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299885975 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1cccc2ccccc12 ZINC000299885976 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299885981 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000299885982 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000299885994 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000299885995 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000299885996 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000299886015 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccc(F)cc1 ZINC000299886016 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@H]1[C@H](C)CC ZINC000299886032 KK Annotated Anodyne CCCCC/C=C/CC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1[C@H](C)CC ZINC000299886033 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299886052 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000299886053 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCC#N)ccc2c1 ZINC000299886057 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@H]3C(=O)NCCC#N)ccc2c1 ZINC000299886058 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@@H]2[C@H]1OC3=O ZINC000299886059 KK Annotated Anodyne CC(C)(C(=O)O)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)O ZINC000299886060 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]54C)[C@H]2[C@H]1OC3=O ZINC000299886061 KK Annotated Anodyne CC(C)(C(=O)O)[C@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC(=O)[C@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC(=O)O ZINC000299886062 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000299886077 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000299886078 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000299886079 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000299886080 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886086 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886087 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886088 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886089 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299886121 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)c1ccccc1 ZINC000299886122 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000299886128 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000299886129 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299886164 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000299886165 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299886166 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299886167 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)c1 ZINC000299886168 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299886174 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000299886175 KK Annotated Anodyne C[C@H](C[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299886186 KK Annotated Anodyne C[C@H](C[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc3ccccc3cc2NC(=O)[C@@H]1CSCc1ccccc1)CC(C)(C)C ZINC000299886187 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000299886194 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000299886221 KK Annotated Mild CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000299886222 KK Annotated Mild C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886223 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886224 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886225 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886226 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000299886227 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1 ZINC000299886228 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000299886268 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000299886269 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000299886287 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000299886288 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299886333 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299886334 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000299886335 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000299886338 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1OC ZINC000299886339 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000299886340 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CCc2ccccc2)cc1OC ZINC000299886341 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299886357 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299886358 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000299886359 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000299886360 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299886361 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N3CC[C@@H](NC(=O)OC(C)(C)C)C3)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299886362 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299886379 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299886380 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299886381 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299886382 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299886395 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299886396 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000299886397 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299886398 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000299886399 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886403 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886404 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299886411 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)OCC ZINC000299886412 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299886413 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C)OCC ZINC000299886414 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccco3)s2)c1 ZINC000299886421 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccco3)s2)c1 ZINC000299886422 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299886452 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299886453 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886478 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886479 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299886480 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000299886505 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000299886506 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886526 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886527 KK Annotated Anodyne Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/N=N/c1ccc(-c2ccc(/N=N/c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(O)c2)cc1O ZINC000299886552 KK Annotated Clean C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299886582 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299886583 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299886584 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2cccc(Oc3ccccc3)c2)C[C@H]2C[C@H]1C2(C)C ZINC000299886585 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000299886601 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000299886602 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)ccc2c1 ZINC000299886605 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299886606 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)ccc2c1 ZINC000299886607 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299886624 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299886625 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299886626 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299886639 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299886640 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000299886641 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299886644 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299886645 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000299886646 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886664 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886665 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000299886666 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000299886667 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000299886668 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000299886669 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000299886680 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000299886681 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299886682 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C ZINC000299886683 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299886691 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299886692 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000299886693 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000299886694 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886698 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886699 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886700 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886701 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299886713 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000299886714 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000299886732 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000299886733 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@H](C)CCc3ccccc3)ccc2c1 ZINC000299886761 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@H]3C(=O)N[C@@H](C)CCc3ccccc3)ccc2c1 ZINC000299886762 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@H](C)CCc3ccccc3)ccc2c1 ZINC000299886763 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)N[C@@H](C)CCc3ccccc3)ccc2c1 ZINC000299886764 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299886767 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000299886768 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886801 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886802 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886803 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)/C=C/c3ccc(OC)c(OC)c3OC)C2)c1 ZINC000299886804 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000299886815 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299886816 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299886817 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886852 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299886853 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886868 KK Annotated Anodyne C[C@H]1[C@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299886869 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299886905 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)c2cccc3ccccc23)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000299886906 KK Annotated Anodyne CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@]2(C)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@]34CC[C@@]12O4 ZINC000299886911 KK Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299886927 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299886928 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299886929 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)c(OC)c1OC ZINC000299886930 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299886967 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299886968 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000299886971 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc(OC)c1OC ZINC000299886972 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000299886987 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000299886988 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000299887000 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000299887001 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299887002 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000299887003 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299887026 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299887027 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000299887028 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000299887029 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)Cc3ccc(-c4ccccc4)cc3)C2)cc1 ZINC000299887030 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299887049 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299887050 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887070 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887071 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887072 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887073 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299887081 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1cccc2ccccc12 ZINC000299887082 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000299887083 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC1(CCCCC1)O2 ZINC000299887084 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887112 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 ZINC000299887113 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299887114 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299887115 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000299887126 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1Cl ZINC000299887127 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299887128 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299887129 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000299887132 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000299887133 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC000299887134 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299887143 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000299887144 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCC ZINC000299887150 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299887151 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCC ZINC000299887152 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299887158 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299887159 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299887160 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)CCc2ccccc2)cc1 ZINC000299887161 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299887185 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000299887186 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299887222 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299887223 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000299887224 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N[C@H](C)c2cccc3ccccc23)cc1OC ZINC000299887225 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299887233 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299887234 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000299887235 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000299887242 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000299887243 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299887251 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000299887252 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299887266 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299887267 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299887268 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000299887269 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299887294 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000299887295 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299887307 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299887308 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000299887309 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@H](C)c1cccc2ccccc12)OCC ZINC000299887310 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@H](C)c1cccc2ccccc12)OCC ZINC000299887311 KK Annotated Anodyne O=C(NCC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299887314 KK Annotated Anodyne O=C(NCC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C1CCCCC1)OCc1ccccc1 ZINC000299887315 KK Annotated Anodyne O=C(NCC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C1CCCCC1)OCc1ccccc1 ZINC000299887316 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299887320 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299887321 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000299887335 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299887336 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299887337 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000299887338 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000299887339 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299887348 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299887349 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299887350 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)N(C(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)C2)c1 ZINC000299887351 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@H]43)n2)cc1 ZINC000299887361 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@H]43)n2)cc1 ZINC000299887362 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299887394 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000299887395 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000299887403 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000299887404 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000299887417 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299887418 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299887419 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299887451 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299887452 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299887453 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299887497 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299887498 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299887505 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000299887506 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887538 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887539 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887540 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccccc2OCc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887541 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299887577 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000299887578 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299887618 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299887619 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1OC ZINC000299887620 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1OC ZINC000299887621 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887636 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000299887637 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299887721 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c1 ZINC000299887722 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000299887723 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000299887768 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000299887769 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299887773 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299887774 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C3CCCCC3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000299887775 KK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000299887779 KK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000299887780 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887786 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887787 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887788 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cccnc2Oc2ccccc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887789 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299887795 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299887796 KK Annotated Anodyne CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)CNC(=O)OCc2ccccc2)C1 ZINC000299887797 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299887836 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000299887837 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)cc1OC ZINC000299887841 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299887842 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)cc1OC ZINC000299887843 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299887848 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000299887849 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299887856 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299887857 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299887858 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000299887859 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299887892 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299887893 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c(OC)c1OC ZINC000299887894 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299887903 KK Annotated Anodyne CN(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299887904 KK Annotated Anodyne CN(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2)C(=O)c1ccccc1 ZINC000299887905 KK Annotated Anodyne CCCC/C=C/C=C/C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC/C=C/[C@H]1C=C[C@@H](CCCC)[C@H](C(=O)O)[C@H]1C(=O)O)OC(=O)CCCCCCC/C=C/C=C/C=C/CCCC ZINC000299887913 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887914 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887915 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887916 KK Annotated Anodyne C[C@@H]1[C@H](NC(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccc(-c3ccccc3)cc2)C[C@H]2C[C@H]1C2(C)C ZINC000299887917 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000299887949 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000299887950 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299887973 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@H]3CCCC[C@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299887974 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3O)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000299887975 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000299888010 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 ZINC000299888011 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000299888014 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000299888015 KK Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299888020 KK Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299888021 KK Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299888022 KK Annotated Anodyne CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000299888023 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000299888028 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000299888029 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1OC ZINC000299888030 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299888044 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299888045 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299888046 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccc(C(C)(C)C)cc4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299888047 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299888053 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299888054 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299888055 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000299888056 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299888069 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299888070 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299888071 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000299888072 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000299888088 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000299888089 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299888137 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299888138 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299888139 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299888140 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299888158 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000299888159 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299888173 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299888174 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000299888175 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000299888176 KK Annotated Anodyne C[C@@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299888190 KK Annotated Anodyne C[C@H]1[C@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@H]1C2(C)C ZINC000299888191 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299888192 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299888193 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ccc2c1 ZINC000299888194 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCc4ccccc4)C[C@@H]3C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ccc2c1 ZINC000299888195 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000299888196 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@H](O)c1ccccc1 ZINC000299888197 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299888198 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000299888199 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2C2CCCCC2)c(OC)c1OC ZINC000299888208 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299888209 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2C2CCCCC2)c(OC)c1OC ZINC000299888210 KK Annotated Anodyne CCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007104 KK Annotated Anodyne CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007231 KK Annotated Anodyne Cc1cccc(NC(=O)c2ccc(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(NC(=O)Cc3c(F)cccc3Cl)c2)n1 ZINC000003013335 KK Annotated Anodyne CCOC(=O)N1CCc2c(sc(NCc3ccc(N(C)C)cc3)c2C(=O)Nc2ccc(OC)cc2)C1 ZINC000003017612 KK Annotated Clean CCOc1ccccc1/N=C(\O)c1ccc(F)c(S(=O)(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)c1 ZINC000003022393 KK Annotated Mild CCOC(=O)c1ccc(CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(C)c(F)c3)c2)cc1 ZINC000003028624 KK Annotated Anodyne CC(C)N(CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)Cc1ccccc1 ZINC000003042239 KK Annotated Anodyne Cc1ccc2c(c1)[C@@H]1C[N+](C)(CC(=O)c3ccc(Cl)cc3Cl)CC[C@@H]1N2C(=O)c1ccc(F)cc1 ZINC000003180278 KK Annotated Mild O=C(c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1NC2=C(CCC/C2=C\c2ccco2)[C@H]1c1ccco1 ZINC000003181068 KK Annotated Anodyne CCN(CC)[P@](=O)(Nc1ccc(Br)cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1 ZINC000003182992 KK Annotated Mild CCN(CC)[P@@](=O)(Nc1ccc(Br)cc1)c1c(C)nn(CCC#N)c1NC(=O)c1ccc(Cl)cc1 ZINC000003182994 KK Annotated Mild COc1ccc(C(=O)c2sc(Nc3cccc(OC)c3)c(C(=O)Nc3cccc(C)c3C)c2N)cc1 ZINC000003270970 KK Annotated Anodyne CCOc1ccc(CCNC(=O)CSc2nn(-c3ccc(C)c(Cl)c3)c(=S)s2)cc1OCC ZINC000003311128 KK Annotated Anodyne COc1cc(-c2nnc(CSc3nnc(Nc4ccc(Oc5ccccc5)cc4)s3)o2)cc(OC)c1OC ZINC000003334033 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)cc2)c[nH]c1SCC(=O)NCCc1ccc(OC)cc1 ZINC000003366265 KK Annotated Anodyne CCCCCCCCCC/C(Br)=C(/Br)c1nnc2ccccc2c1Br ZINC000301054559 KK Annotated Mild CCOC(=O)[C@@H]([C@@H](OS(=O)(=O)c1ccc(C)cc1)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 ZINC000301054575 KK Annotated Mild CCOC(=O)[C@H]([C@@H](OS(=O)(=O)c1ccc(C)cc1)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 ZINC000301054576 KK Annotated Mild CCOC(=O)[C@@H]([C@H](OS(=O)(=O)c1ccc(C)cc1)C(F)(F)F)N(Cc1ccccc1)Cc1ccccc1 ZINC000301054577 KK Annotated Mild COc1ccc(C(OC[C@@H]2OC[C@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000301054609 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2OC[C@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@H](F)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000301054610 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2OC[C@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000301054611 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2OC[C@H](n3cc(C)c(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000301054612 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C(F)=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000301054662 KK Annotated Reactive CC1(C)O[C@@H]2C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)=C(F)[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@H]2O1 ZINC000301054663 KK Annotated Reactive COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C)C(=O)O)c(OC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC000301054849 KK Annotated Anodyne C[C@@H]1OC(C)(C)N(C(=O)[C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000301055164 KK Annotated Anodyne C[C@@H]1OC(C)(C)N(C(=O)[C@@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000301055165 KK Annotated Anodyne C[C@@H]1OC(C)(C)N(C(=O)[C@@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000301055166 KK Annotated Anodyne C[C@@H]1OC(C)(C)N(C(=O)[C@H](Cc2cn(C(=O)OC(C)(C)C)c3ccccc23)NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000301055167 KK Annotated Anodyne FC(F)(F)c1cc(NC(=S)N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)cc(C(F)(F)F)c1 ZINC000301055168 KK Annotated Anodyne FC(F)(F)c1cc(NC(=S)N[C@H](c2ccccc2)[C@H](c2ccccc2)N2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)cc(C(F)(F)F)c1 ZINC000301055169 KK Annotated Anodyne FC(F)(F)c1cc(NC(=S)N[C@H](c2ccccc2)[C@@H](c2ccccc2)N2Cc3ccc4ccccc4c3-c3c(ccc4ccccc34)C2)cc(C(F)(F)F)c1 ZINC000301055170 KK Annotated Anodyne CN(C)[C@@H]1CCCC[C@@H]1NC(=S)N[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000301055226 KK Annotated Anodyne CN(C)[C@@H]1CCCC[C@@H]1NC(=S)N[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000301055227 KK Annotated Anodyne CN(C)[C@@H]1CCCC[C@@H]1NC(=S)N[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000301055228 KK Annotated Anodyne COC1=C(O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C(=O)C1=O ZINC000030725819 KK Annotated Mild in-man endogenous CC1=C[C@@H](O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=C[C@@H](O)CC1(C)C ZINC000030726543 KK Annotated Bother in-vitro CC1=CC(=O)CC(C)(C)/C1=C\C=C(C)\C=C\C=C(C)\C=C\C=C\C(C)=C\C=C\C(C)=C\C=C1\C(C)=CC(=O)CC1(C)C ZINC000030726567 KK Annotated Mild in-vitro biogenic COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC)c(c1OC)Oc1ccc(cc1)CC3=NCC2)N(C)CC4 ZINC000030726848 KK Annotated Anodyne in-vitro COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN[C@@H]4C2)CCN1C ZINC000030726881 KK Annotated Anodyne in-vitro COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)N(C)CC4 ZINC000030726884 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000030726960 KK Annotated Anodyne in-vitro biogenic CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]3(O)CC(=O)C(C)=C[C@H]3C(=O)O1)O2 ZINC000030727768 KK Annotated Mild in-vitro COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/C=C/C(C)C)n2)n1)OC ZINC000030729502 KK Annotated Anodyne in-vitro 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=C/C=C(\C)CCC=C(C)C ZINC000030729942 KK Annotated Bother in-vitro 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=C(\C)CCCC(C)(C)O ZINC000030729947 KK Annotated Bother in-vitro 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=C(C)/C=C/CC(C)(C)O ZINC000030729951 KK Annotated Bother in-vitro COC(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)/C=C/C=C(\C)CCC=C(C)C ZINC000030729956 KK Annotated Bother in-vitro COC(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)/C=C/C=C(\C)CCCC(C)(C)O ZINC000030729960 KK Annotated Bother in-vitro COC(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)/C=C/C=C(C)/C=C/CC(C)(C)O ZINC000030729963 KK Annotated Bother in-vitro COC(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)/C=C/C=C(C)/C=C/CC(C)(C)OC ZINC000030729966 KK Annotated Bother in-vitro COC(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)/C=C/C=C(C)/C=C/C(=O)C(C)(C)OC ZINC000030729974 KK Annotated Mild in-vitro COC(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/C=C(C)/C=C/C(=O)C(C)(C)OC ZINC000030729980 KK Annotated Mild in-vitro COC(C)(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=C(\C)CCC=C(C)C ZINC000030729985 KK Annotated Bother in-vitro COC(C)(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=C(\C)CCCC(C)(C)O ZINC000030729989 KK Annotated Bother in-vitro COC(C)(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=C(\C)CCCC(C)(C)OC ZINC000030729994 KK Annotated Bother in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O ZINC000030729999 KK Annotated Bother in-vitro COC(C)(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)CC/C=C(\C)CCC=C(C)C ZINC000030730002 KK Annotated Bother in-vitro CC(C)=CCC/C(C)=C/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/CC(C)(C)O ZINC000030730007 KK Annotated Bother in-vitro COC(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)CC/C=C(\C)CCC=C(C)C ZINC000030730012 KK Annotated Bother in-vitro COC(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)CC/C=C(\C)CCCC(C)(C)O ZINC000030730015 KK Annotated Bother in-vitro COC(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)CC/C=C(\C)CCC=C(C)C ZINC000030730020 KK Annotated Mild in-vitro COC(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)CC/C=C(\C)CCCC(C)(C)O ZINC000030730025 KK Annotated Mild in-vitro 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/c1c(C)ccc(C)c1C ZINC000030730035 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000030730039 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000030730044 KK Annotated Bother in-vitro CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000030730054 KK Annotated Bother in-vitro CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@H](O)[C@@H]1O ZINC000030730084 KK Annotated Bother in-vitro CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@H](O)[C@H]1O ZINC000030730090 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000030730098 KK Annotated Bother in-vitro 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(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000030730239 KK Annotated Bother in-vitro CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O ZINC000030730506 KK Annotated Reactive in-vitro CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H](O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@H](O)C(C)(C)O ZINC000030730511 KK Annotated Bother in-vitro CC1=CCCC(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=C/[C@@H]1C(C)=CCCC1(C)C ZINC000030730516 KK Annotated Bother in-vitro CC1=CCCC(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=C/[C@H]1C(C)=CCCC1(C)C ZINC000030730519 KK Annotated Bother in-vitro biogenic COC(C)(C)CCC(=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(\C)CCC=C(C)C ZINC000030730533 KK Annotated Mild in-vitro COC(C)(C)CCC(=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(\C)C(=O)CCC(C)(C)OC ZINC000030730537 KK Annotated Mild in-vitro CC1=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/CC(C)(C)O)C(C)(C)[C@H](O)CC1=O ZINC000030730683 KK Annotated Mild in-vitro CO[C@H]1/C=C/O[C@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000306120711 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H]4C[C@H]([N+]5(C)CCCCC5)C(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306146104 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)C(=O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306146105 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)C(=O)[C@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306146106 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H]4C[C@@H]([N+]5(C)CCCCC5)C(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306146107 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000306146142 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5C=C[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000306146143 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5C=C[C@]4(C)[C@@H]2CC[C@H]1C3 ZINC000306146144 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5C=C[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000306146145 KK Annotated Mild CC1=CC[C@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@H](C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@@]32O ZINC000306146162 KK Annotated Anodyne CC1=CC[C@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@H](C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@]32O ZINC000306146163 KK Annotated Anodyne CC1=CC[C@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@H](C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@@H](C)C1)[C@@]32O ZINC000306146164 KK Annotated Anodyne CC1=CC[C@H]2C[C@@H](C[C@]3(CC[C@H](C)[C@H](C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@@H](C)C1)[C@]32O ZINC000306146165 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000306146203 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@@H](F)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000306146204 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@H]2CC[C@H]1C3 ZINC000306146264 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@@]4(C)[C@@H]2CC[C@H]1C3 ZINC000306146265 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4(C)[C@H]2CC[C@H]1C3 ZINC000306146266 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@]1(O)C[C@@]23CC[C@@H]4c5ccoc5CC[C@]4(C)[C@@H]2CC[C@H]1C3 ZINC000306146267 KK Annotated Mild CN[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@@H]3C)[C@@]54O)C[C@H]2OC)C[C@H]1OC ZINC000306146294 KK Annotated Anodyne CN[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@@H]3C)[C@@]54O)C[C@@H]2OC)C[C@H]1OC ZINC000306146295 KK Annotated Anodyne CN[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@@H]3C)[C@@]54O)C[C@H]2OC)C[C@@H]1OC ZINC000306146296 KK Annotated Anodyne CN[C@@H]1[C@H](C)O[C@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3C(C)=CC[C@H]4C[C@@H](C[C@]5(C=C[C@H](C)[C@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@H](O)[C@@H]5OCC(=CC=C[C@@H]3C)[C@@]54O)C[C@@H]2OC)C[C@@H]1OC ZINC000306146297 KK Annotated Anodyne O[C@@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCCC=CCC1)C[C@]31C[C@@H]3C=CCCCCN3[C@@H]12 ZINC000306146333 KK Annotated Anodyne O[C@@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCCC=CCC1)C[C@]31C[C@H]3C=CCCCCN3[C@@H]12 ZINC000306146334 KK Annotated Anodyne O[C@@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCCC=CCC1)C[C@]31C[C@H]3C=CCCCCN3[C@H]12 ZINC000306146335 KK Annotated Anodyne O[C@@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCCC=CCC1)C[C@]31C[C@@H]3C=CCCCCN3[C@H]12 ZINC000306146336 KK Annotated Anodyne Cn1c2ccc1c(-c1ccc(S(=O)(=O)O)cc1)c1ccc(n1)c(-c1ccc(S(=O)(=O)O)cc1)c1ccc(c(-c3ccc(S(=O)(=O)O)cc3)c3ccc(n3)c2-c2ccc(S(=O)(=O)O)cc2)n1C ZINC000306146408 KK Annotated Bother CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](OC(N)=O)[C@H](O)[C@H](C)O2)C=C[C@H](C)C[C@@H]1C ZINC000306146414 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](OC(N)=O)[C@H](O)[C@H](C)O2)C=C[C@H](C)C[C@H]1C ZINC000306146415 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](OC(N)=O)[C@H](O)[C@H](C)O2)C=C[C@@H](C)C[C@H]1C ZINC000306146416 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](OC(N)=O)[C@H](O)[C@H](C)O2)C=C[C@@H](C)C[C@@H]1C ZINC000306146417 KK Annotated Anodyne CCC1=C(CC)[C@H]2C=c3c(CC)c(CC)c(n3C)=CC3=C(CC)[C@H](CC)C(=Cc4c(CC)c(CC)c(n4C)C=C1N2C)N3C ZINC000306146456 KK Annotated Anodyne CCC1=C(CC)[C@H]2C=c3c(CC)c(CC)c(n3C)=CC3=C(CC)[C@@H](CC)C(=Cc4c(CC)c(CC)c(n4C)C=C1N2C)N3C ZINC000306146457 KK Annotated Anodyne CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C\c1ccc([N+](=O)[O-])o1 ZINC000306146550 KK Annotated Reactive CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C/c1ccc([N+](=O)[O-])o1 ZINC000306146551 KK Annotated Reactive CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C/c1ccc([N+](=O)[O-])o1 ZINC000306146552 KK Annotated Reactive CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)NN=C/C=C\c1ccc([N+](=O)[O-])o1 ZINC000306146553 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@@H]3O[C@]4(CC[C@@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@@H](C)C[C@@H]4C)nc2c1C(=O)O ZINC000306146637 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@@H]3O[C@]4(CC[C@@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000306146638 KK Annotated Anodyne CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@H](CC[C@@H]3/C(=C(\CCC=C(C)C)C(=O)O)[C@H](OC(C)=O)C[C@]32C)[C@]2(C)C=CC(=O)[C@H](C)[C@H]12 ZINC000306146680 KK Annotated Mild CC(=O)O[C@@H]1C(=O)[C@]2(C)[C@H](CC[C@@H]3/C(=C(\CCC=C(C)C)C(=O)O)[C@H](OC(C)=O)C[C@]32C)[C@]2(C)C=CC(=O)[C@H](C)[C@H]12 ZINC000306146681 KK Annotated Mild CCCCCC[C@H](C)C/C(C)=C/[C@H](C)/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1 ZINC000306146694 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C\[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1 ZINC000306146695 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1 ZINC000306146696 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@@H]2O)c(=O)o1 ZINC000306146697 KK Annotated Anodyne C(=N/Cc1ccccc1)\[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CCOCc1ccccc1)OCc1ccccc1 ZINC000306146725 KK Annotated Mild C(=N\Cc1ccccc1)\[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](CCOCc1ccccc1)OCc1ccccc1 ZINC000306146726 KK Annotated Mild C(=N\Cc1ccccc1)\[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](CCOCc1ccccc1)OCc1ccccc1 ZINC000306146727 KK Annotated Mild CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@]4(CC[C@](CC)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@H]1C ZINC000306146783 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@]4(CC[C@](CC)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@H](C)C[C@@H]1C ZINC000306146784 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@]4(CC[C@](CC)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@H](C)C[C@H]1C ZINC000306146785 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@@H]2O[C@]3(C=C[C@H](O)[C@]4(CC[C@](CC)([C@@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C ZINC000306146786 KK Annotated Anodyne CC[C@@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@H](C=C[C@@H]4[C@H](O[C@@H]5C[C@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@H](C)O5)[C@H](C)CC[C@H]42)CC=CCC(C)=C[C@@]3(C)C=C1C(=O)O ZINC000306146798 KK Annotated Mild CC[C@@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@H](C=C[C@H]4[C@@H]2CC[C@@H](C)[C@H]4O[C@@H]2C[C@H](O)[C@H](NC(=O)c4[nH]c(Cl)cc4Cl)[C@H](C)O2)CC=CCC(C)=C[C@@]3(C)C=C1C(=O)O ZINC000306146799 KK Annotated Mild CC[C@@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@H](C=C[C@@H]4[C@H](O[C@@H]5C[C@H](O)[C@H](NC(=O)c6[nH]c(Cl)cc6Cl)[C@H](C)O5)[C@H](C)CC[C@H]42)CC=CCC(C)=C[C@]3(C)C=C1C(=O)O ZINC000306146800 KK Annotated Mild CC[C@@H]1C[C@@]23OC(=O)C(=C2O)C(=O)[C@]2(CC)[C@H](C=C[C@H]4[C@@H]2CC[C@@H](C)[C@H]4O[C@@H]2C[C@H](O)[C@H](NC(=O)c4[nH]c(Cl)cc4Cl)[C@H](C)O2)CC=CCC(C)=C[C@]3(C)C=C1C(=O)O ZINC000306146801 KK Annotated Mild C[C@H](C[C@H](C)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C/[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@H](C)O)O2)O1)C[C@H](C)CCC(=O)O ZINC000306146888 KK Annotated Mild C[C@H](C[C@H](C)C(=O)/C=C(\O)[C@H](C)C[C@H](C)C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@H](C)O)O2)O1)C[C@H](C)CCC(=O)O ZINC000306146889 KK Annotated Mild C[C@H](C[C@H](C)C(=O)/C=C(/O)[C@H](C)C[C@H](C)C/C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)C[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@H](C)O)O2)O1)C[C@H](C)CCC(=O)O ZINC000306146890 KK Annotated Mild CC(C)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](CCCN=C1C(=O)CC(C)(C)CC1=O)C(=O)O ZINC000306146907 KK Annotated Mild CC(C)CCN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCN=C1C(=O)CC(C)(C)CC1=O)C(=O)O ZINC000306146908 KK Annotated Mild CC1=C[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@@](C)(CC2=O)[C@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@H]5O)O[C@H]4C=C1)O2)O3 ZINC000306146922 KK Annotated Anodyne CC1=C[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@@](C)(CC2=O)[C@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@H]4C=C1)O2)O3 ZINC000306146923 KK Annotated Anodyne CC1=C[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@@](C)(CC2=O)[C@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@H]5O)O[C@@H]4C=C1)O2)O3 ZINC000306146924 KK Annotated Anodyne CC1=C[C@H](C)C[C@@]2(C)CC[C@@H](O2)[C@@]23CC[C@@](C)(C[C@@H](O2)[C@H]2O[C@@](C)(CC2=O)[C@H](O)[C@H]2CC[C@@]4(CCC[C@@H](O4)[C@H](C)C(=O)O[C@@H]4C[C@H]([C@]5(O)OCC[C@H](C)[C@@H]5O)O[C@@H]4C=C1)O2)O3 ZINC000306146925 KK Annotated Anodyne CC(=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C\C(=O)O)/C=C/C[C@@H](C)/C=C(C)\C=C\[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306146946 KK Annotated Anodyne CC(=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/C[C@@H](C)/C=C(C)\C=C\[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306146947 KK Annotated Anodyne CC(=C/[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C\C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306146948 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@@H]2[C@H](C)[C@@]3(O[C@H](C[C@H](C)O)[C@@H](C)CC3=O)O[C@H](CC1)[C@H]2C ZINC000306146971 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@@H]2[C@H](C)[C@@]3(O[C@H](C[C@H](C)O)[C@H](C)CC3=O)O[C@H](CC1)[C@H]2C ZINC000306146972 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@H](CC1)O[C@]1(O[C@H](C[C@H](C)O)[C@@H](C)CC1=O)[C@@H]2C ZINC000306146973 KK Annotated Anodyne CC[C@@H]1C=CC=CC[C@H](C)[C@H](O)[C@](C)(O)C(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C=CC(=O)O[C@H]2[C@H](C)[C@@H](CC1)O[C@]1(O[C@H](C[C@H](C)O)[C@H](C)CC1=O)[C@@H]2C ZINC000306146974 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC(=O)[C@@H]3[C@]4(C)CC[C@H](O)[C@H](C)[C@@H]4CC[C@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000306147012 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC(=O)[C@H]3[C@]2(C)CC[C@H]2[C@@H](C)[C@@H](O)CC[C@]23C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000306147013 KK Annotated Anodyne CN[C@@H]1NC(=O)[C@@H]2NCN([C@@H]3C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H](COC(C4CCCCC4)(C4CCC(OC)CC4)C4CCC(OC)CC4)O3)[C@@H]2N1 ZINC000306147121 KK Annotated Mild CN[C@@H]1NC(=O)[C@@H]2NCN([C@@H]3C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(C4CCCCC4)(C4CCC(OC)CC4)C4CCC(OC)CC4)O3)[C@H]2N1 ZINC000306147122 KK Annotated Mild CN[C@@H]1NC(=O)[C@@H]2NCN([C@@H]3C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](COC(C4CCCCC4)(C4CCC(OC)CC4)C4CCC(OC)CC4)O3)[C@@H]2N1 ZINC000306147123 KK Annotated Mild CN[C@@H]1NC(=O)[C@@H]2NCN([C@@H]3C[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@H](COC(C4CCCCC4)(C4CCC(OC)CC4)C4CCC(OC)CC4)O3)[C@H]2N1 ZINC000306147124 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@]4(C)[C@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306147205 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@@]4(C)[C@@H]3C[C@@H]([N+]3(C)CCCCC3)[C@@H]4O)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306147206 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H](O)[C@@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306147207 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@H]3[C@@H](CC[C@]4(C)[C@H](O)[C@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1N1CCCCC1 ZINC000306147208 KK Annotated Bother CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)C=C[C@H](C)C[C@H]1C ZINC000306147215 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)C=C[C@H](C)C[C@@H]1C ZINC000306147216 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)C=C[C@@H](C)C[C@H]1C ZINC000306147217 KK Annotated Anodyne CCC(=O)[C@H](C)[C@H](O)[C@H](C)C[C@H](C)[C@@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@@H](O2)C(C)=CCCC[C@H](O[C@@H]2C[C@H](O)[C@H](O)[C@H](C)O2)C=C[C@@H](C)C[C@@H]1C ZINC000306147218 KK Annotated Anodyne CO[C@@H]1C=CC=CC=CC[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@H](O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)C1 ZINC000306147257 KK Annotated Anodyne CO[C@@H]1C=CC=CC=CC[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)C1 ZINC000306147258 KK Annotated Anodyne CO[C@@H]1C=CC=CC=CC[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)C1 ZINC000306147259 KK Annotated Anodyne CO[C@@H]1C=CC=CC=CC[C@H](OC(=O)[C@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@H](O)C(C)=CCCc2cc(O)cc(c2O)NC(=O)C1 ZINC000306147260 KK Annotated Anodyne CCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C\[C@H](O)[C@H](C)/C=C\C(=O)O)O2)O1 ZINC000306147348 KK Annotated Anodyne CCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@H](C)/C=C\C(=O)O)O2)O1 ZINC000306147349 KK Annotated Anodyne CCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C\[C@H](O)[C@H](C)/C=C/C(=O)O)O2)O1 ZINC000306147350 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C\C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306147361 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C\[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306147362 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C\[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C\C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306147363 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@H](C)[C@H](O)[C@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000306147364 KK Annotated Anodyne COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3CCC[C@@H]4[C@@H]3C=C[C@@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(OC(=O)[C@]34C)C6=O)O[C@@H]2C)O[C@@H](C)[C@H]1O ZINC000306147398 KK Annotated Mild COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3CCC[C@@H]4[C@@H]3C=C[C@@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(OC(=O)[C@]34C)C6=O)O[C@@H]2C)O[C@@H](C)[C@@H]1O ZINC000306147399 KK Annotated Mild COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3CCC[C@@H]4[C@@H]3C=C[C@@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(OC(=O)[C@]34C)C6=O)O[C@@H]2C)O[C@H](C)[C@@H]1O ZINC000306147400 KK Annotated Mild COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@@H]2[C@H](O)C[C@H](O[C@@H]3CCC[C@@H]4[C@@H]3C=C[C@@H]3CCCCC=C[C@@H]5C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(OC(=O)[C@]34C)C6=O)O[C@@H]2C)O[C@H](C)[C@H]1O ZINC000306147401 KK Annotated Mild CC1=CC[C@H]2C[C@@H](C[C@]3(C[C@H](O)[C@H](C)[C@H](/C(C)=C/C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@]32O ZINC000306147411 KK Annotated Anodyne CC1=CC[C@H]2C[C@@H](C[C@]3(C[C@H](O)[C@H](C)[C@H](/C(C)=C\C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@]32O ZINC000306147412 KK Annotated Anodyne CC1=CC[C@H]2C[C@@H](C[C@]3(C[C@H](O)[C@H](C)[C@H](/C(C)=C\C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@@]32O ZINC000306147413 KK Annotated Anodyne CC1=CC[C@H]2C[C@@H](C[C@]3(C[C@H](O)[C@H](C)[C@H](/C(C)=C/C(C)C)O3)O2)OC(=O)[C@@H]2C=C(C)[C@H](O)[C@@H]3OCC(=CC=C[C@H](C)C1)[C@@]32O ZINC000306147414 KK Annotated Anodyne CC(C)CCCC[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@@]3(C)CC[C@@H](OC(=O)c4cc5ccccc5oc4=O)CC3=CC[C@]21C ZINC000306147469 KK Annotated Anodyne CC(C)CCCC[C@@H]1CC[C@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@@H](OC(=O)c4cc5ccccc5oc4=O)CC3=CC[C@]21C ZINC000306147470 KK Annotated Anodyne CC(C)CCCC[C@@H]1CC[C@H]2[C@]1(C)CC[C@H]1[C@@]3(C)CC[C@H](OC(=O)c4cc5ccccc5oc4=O)CC3=CC[C@]21C ZINC000306147471 KK Annotated Anodyne CC(C)CCCC[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@@]3(C)CC[C@H](OC(=O)c4cc5ccccc5oc4=O)CC3=CC[C@]21C ZINC000306147472 KK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000031262450 KK Annotated Mild CCC[n+]1cccc2cc(NC(=O)CCc3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCC)c4)cc3)ccc21 ZINC000031291586 KK Annotated Anodyne C[C@H]1CCCC(C)(C)[C@@H]1CC[C@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C ZINC000031356941 KK Annotated Bother C[C@H]1CCCC(C)(C)[C@@H]1CC[C@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000031356945 KK Annotated Bother in-man C[C@H]1CCCC(C)(C)[C@@H]1CC[C@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@H]1[C@H](C)CCCC1(C)C ZINC000031356948 KK Annotated Bother C[C@H]1CCCC(C)(C)[C@H]1CC[C@@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000031356951 KK Annotated Bother in-man Cc1cc2cc3[nH]c(cc4nc(cc5[nH]c(cc5C)cc1n2)C(C)(C)[C@@H]4CCC(=O)O)c(CCC(=O)O)c3C ZINC000031394541 KK Annotated Bother CCCCOc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000031458349 KK Annotated Bother CC(C)COc1c(C(F)(F)F)cc([N+](=O)[O-])c(Nc2ncc(C(F)(F)F)cc2Cl)c1[N+](=O)[O-] ZINC000031458355 KK Annotated Bother CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000031475744 KK Annotated Anodyne CN(C)c1nc(Nc2c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c2[N+](=O)[O-])c(Cl)cc1C(F)(F)F ZINC000031501452 KK Annotated Bother c1ccc(CN(Cc2ccccc2)c2nc(N(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1 ZINC000031559695 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000031560590 KK Annotated Anodyne CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1 ZINC000031706041 KK Annotated Mild CCCCCCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(OS(=O)(=O)O)cc(OS(=O)(=O)O)c1 ZINC000031706045 KK Annotated Mild O=C1C(c2ccc(O)cc2)=C2C(=C(c3ccc(O)cc3)C(=O)N2CCc2ccc(O)cc2)c2c1[nH]c1c(OS(=O)(=O)O)cccc21 ZINC000031706121 KK Annotated Mild CCCCCc1cc2c(c(O)c1C(=O)O)-c1cc3c(c(O)c1CC2)C(=O)c1c(O)cc(OS(=O)(=O)O)cc1C3(C)C ZINC000031706496 KK Annotated Anodyne CCCCCc1cc2ccc3c(O)c4c(cc3c2c(O)c1C(=O)O)C(C)(C)c1cc(OS(=O)(=O)O)cc(O)c1C4=O ZINC000031707450 KK Annotated Bother Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(/C=C\c2ccccc2)N(c2ccc(Cl)cc2)C1=O ZINC000031841165 KK Annotated Mild COc1ccc(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3C)N=C2/C=C\c2ccccc2)cc1 ZINC000031841167 KK Annotated Mild O/N=C(C(=N/O)\Nc1ccc(-c2ccc(NC(=N/O)/C(=N\O)c3ccccc3)cc2)cc1)/c1ccccc1 ZINC000031851475 KK Annotated Mild CCN(CC)CCC/N=c1\c2cc(OC)ccc2[nH]c2c([N+](=O)[O-])ccc(NCCCN(CC)CC)c12 ZINC000031852787 KK Annotated Bother COc1ccc2c(c1)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2C(=O)c3cc(OC)ccc3[C@@H]2[C@H]1c1ccccc1 ZINC000031862064 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H]2C(=O)c3cc(OC)ccc3[C@@H]2[C@H]1c1ccccc1 ZINC000031862066 KK Annotated Anodyne O=C1C[C@]2(CC[C@@](O)(c3ccc(Cl)cc3)[C@@H](C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 ZINC000031870990 KK Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3ccc(Cl)cc3)[C@@H](C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 ZINC000031870992 KK Annotated Anodyne O=C1C[C@@]2(CC[C@@](O)(c3ccc(Cl)cc3)[C@@H](C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 ZINC000031870994 KK Annotated Anodyne O=C1C[C@@]2(CC[C@](O)(c3ccc(Cl)cc3)[C@@H](C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 ZINC000031870996 KK Annotated Anodyne CCN1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871332 KK Annotated Anodyne CCN1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000031871333 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1ccc(N(C(C)=O)c3ccccc3)cc1[C@]21OC(=O)c2ccccc21 ZINC000031871843 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccc(OC)cc4c2[C@H]2CC[C@H](c4ccccc4)C[C@H]23)cc1 ZINC000031872439 KK Annotated Anodyne COc1cc(/C=C2\CC[C@@H](C)[C@H]3C2=NN(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000031894646 KK Annotated Anodyne COc1cc(/C=C2\CC[C@H](C)[C@H]3C2=NN(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000031894650 KK Annotated Anodyne COc1cc(/C=C2\CC[C@@H](C)c3c2nc(N)c(C#N)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000031894698 KK Annotated Mild COc1cc(/C=C2\CC[C@H](C)c3c2nc(N)c(C#N)c3-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000031894706 KK Annotated Mild CC[C@@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@H]32 ZINC000031897556 KK Annotated Anodyne CC[C@H]1O[C@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@H]32 ZINC000031897561 KK Annotated Anodyne CC[C@@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@H]32 ZINC000031897565 KK Annotated Anodyne CC[C@H]1O[C@@H]2C(CC=C(C)C)=C3O[C@](C)(O)[C@](C)(CC)[C@H](OC(=O)c4ccccc4)C3=C3OC(=O)C=C1[C@H]32 ZINC000031897570 KK Annotated Anodyne CC[C@@H](C(=O)C(=O)[C@@H](CC)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000031900251 KK Annotated Clean CC[C@H](C(=O)C(=O)[C@@H](CC)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000031900255 KK Annotated Clean CC[C@@H](C(=O)C(=O)[C@H](CC)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000031900257 KK Annotated Clean O=c1c(-c2ccccc2)c(SCCN2CCOCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000031901414 KK Annotated Anodyne COC(=O)C[C@@H](c1ccccc1)[C@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905431 KK Annotated Mild COC(=O)C[C@H](c1ccccc1)[C@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905432 KK Annotated Mild COC(=O)C[C@H](c1ccccc1)[C@@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000031905433 KK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccccc1 ZINC000031905611 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccccc1 ZINC000031905612 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1cccs1 ZINC000031905619 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1cccs1 ZINC000031905620 KK Annotated Anodyne CO[C@@H]1O[C@@H](Cc2nnc(C)o2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000031910045 KK Annotated Anodyne CO[C@H]1O[C@@H](Cc2nnc(C)o2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000031910049 KK Annotated Anodyne CO[C@@H]1O[C@H](Cc2nnc(C)o2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000031910052 KK Annotated Anodyne CO[C@H]1O[C@H](Cc2nnc(C)o2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000031910056 KK Annotated Anodyne C#CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1cc(OC)c(OC)c(OC)c1 ZINC000031910584 KK Annotated Mild CC(C)Cc1cc(-c2ccc(-c3ccc(CCCN)cc3CC(C)C)cc2C(C)C)ccc1OCCN ZINC000032011422 KK Annotated Anodyne CCCCCN(CCCCC)Cc1ccc2nc3ccc(CN(CCCCC)CCCCC)cc3nc2c1 ZINC000032038185 KK Annotated Bother N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@@H](c4ccc(F)cc4)N32)[C@@H]1c1ccc(Cl)cc1 ZINC000032050709 KK Annotated Reactive N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@@H](c4ccc(F)cc4)N32)[C@H]1c1ccc(Cl)cc1 ZINC000032050712 KK Annotated Reactive N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@H](c4ccc(F)cc4)N32)[C@@H]1c1ccc(Cl)cc1 ZINC000032050716 KK Annotated Reactive N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@H](c4ccc(F)cc4)N32)[C@H]1c1ccc(Cl)cc1 ZINC000032050720 KK Annotated Reactive CCN(CC)CCC/N=C(\N)c1ccc(-c2ccc(-c3ccc(C(=N)NCCCN(CC)CC)cc3)o2)cc1 ZINC000032052981 KK Annotated Mild O=C1OCc2c1cc1c(Br)cc3c(c1c2-c1cc2c(cc1Br)OCO2)OCO3 ZINC000032064397 KK Annotated Anodyne CCOC(CCCNC[C@@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12)OCC ZINC000032228417 KK Annotated Bother CCOC(CCCNC[C@H](O)c1cc2ccc(C(F)(F)F)cc2c2cc(C(F)(F)F)ccc12)OCC ZINC000032228419 KK Annotated Bother O=C(CCc1ccc2c(c1)[C@H](C(=O)c1ccc(O)cc1O)[C@@H](c1ccc(O)cc1)O2)c1ccc(O)cc1O ZINC000032296462 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(C)\C=C\C=C(/C)C(=O)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000032303217 KK Annotated Mild C=CC1=C(C)C2=N[C@H]1CC1=N[C@@H](Cc3[nH]c(c(CCC(=O)O)c3C)C[C@@H]3N=C(C2)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C ZINC000032787243 KK Annotated Anodyne in-man endogenous C=CC1=C(C)C2=N[C@H]1CC1=N[C@H](Cc3[nH]c(c(CCC(=O)O)c3C)C[C@@H]3N=C(C2)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C ZINC000032787247 KK Annotated Anodyne in-man endogenous C=CC1=C(C)C2=N[C@H]1CC1=N[C@@H](Cc3[nH]c(c(CCC(=O)O)c3C)C[C@H]3N=C(C2)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C ZINC000032787250 KK Annotated Anodyne in-man endogenous COC1=C[C@@H](O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]1O ZINC000032841017 KK Annotated Anodyne in-man endogenous COC(=O)/C(C)=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(OC)c6c(c(CC=C(C)C)c5O[C@]431)O[C@@](C)(CCC=C(C)C)C=C6)C2=O ZINC000328577249 KK Annotated Mild COC(=O)/C(C)=C/C[C@@]12OC(C)(C)[C@H]3C[C@@H](C=C4C(=O)c5c(OC)c6c(c(CC=C(C)C)c5O[C@]431)O[C@](C)(CCC=C(C)C)C=C6)C2=O ZINC000328577250 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)CC[C@H]34)[C@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000328577274 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)CC[C@H]34)[C@@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000328577275 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)CC[C@H]34)[C@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000328577276 KK Annotated Bother CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@@H](OC(C)=O)[C@@H]([N+]5(C)CCCCC5)CC[C@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000328577277 KK Annotated Bother COc1ccc(C2=C(c3ccc(OC)cc3)[C@@]3(c4ccccc4)C(=O)[C@]2(c2ccccc2)[C@@H]2C(=O)N(c4ccccc4[N+](=O)[O-])C(=O)[C@H]23)cc1 ZINC000033353227 KK Annotated Bother N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@@H]1c1ccccc1Cl ZINC000033353953 KK Annotated Reactive N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N[C@@](O)(C(F)(F)F)[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl ZINC000033353964 KK Annotated Reactive C[C@H](c1cccs1)N(Cc1ccco1)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356466 KK Annotated Anodyne C[C@@H](c1cccs1)N(Cc1ccco1)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356467 KK Annotated Anodyne C[C@H](c1cccs1)N(Cc1ccco1)C(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356468 KK Annotated Anodyne C[C@@H](c1cccs1)N(Cc1ccco1)C(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356469 KK Annotated Anodyne C[C@@]1([C@@H](NS(=O)(=O)c2cccc3cccnc23)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000033363675 KK Annotated Anodyne CCO[C@@H]1Nc2cccc(C(=O)OCc3oc(=O)oc3C)c2N1[C@H](C)c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1 ZINC000334163949 KK Annotated Anodyne CCO[C@H]1Nc2cccc(C(=O)OCc3oc(=O)oc3C)c2N1[C@H](C)c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1 ZINC000334163950 KK Annotated Anodyne CC(=O)n1cc([C@@H]2C=C(C(=O)N3CCCCCCC3)O[C@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000033533798 KK Annotated Anodyne CC(=O)n1cc([C@H]2C=C(C(=O)N3CCCCCCC3)O[C@@H](OCc3ccc(CO)cc3)C2)c2ccccc21 ZINC000033533799 KK Annotated Anodyne CCCCc1ccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000033620191 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc(Cl)cc3Cl)nc2c1 ZINC000033651674 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000033681441 KK Annotated Anodyne Cc1ccc(Nc2nc(N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000033692009 KK Annotated Mild CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)C(c2ccccc2)c2ccccc2)nc2ccccn12 ZINC000033699301 KK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755075 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755076 KK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755077 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCOCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755078 KK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755079 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755080 KK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755081 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)C1=C2CCS1 ZINC000033755082 KK Annotated Anodyne CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccccc45)cc3N)cc2)cc1 ZINC000033756286 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5ccc(N)cc45)cc3N)cc2)cc1 ZINC000033756287 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc(C)[n+](CC)c5ccc(N)cc45)cc3N)cc2)cc1 ZINC000033756290 KK Annotated Anodyne CC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CC)c5cc(N)ccc45)cc3N)cc2)cc1 ZINC000033756292 KK Annotated Anodyne O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3cnc4ccccn34)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000033817881 KK Annotated Anodyne C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(-c3cc4ccccc4s3)ccnc12 ZINC000033820014 KK Annotated Anodyne C=C(C)[C@@H]1[C@@H](c2cc(CCN(C)C)ccc2OC)C=C(C)C[C@H]1c1cc(CC[N+](C)(C)[O-])ccc1OC ZINC000033830397 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1[C@H](c2cc(CCN(C)C)ccc2OC)C=C(C)C[C@H]1c1cc(CC[N+](C)(C)[O-])ccc1OC ZINC000033830398 KK Annotated Mild COc1ccc(CCN(C)C)cc1[C@H]1C=C(C)C[C@@H](c2cc(CC[N+](C)(C)[O-])ccc2OC)[C@@H]1C(C)(C)O ZINC000033830399 KK Annotated Bother in-vitro biogenic COc1ccc(CCN(C)C)cc1[C@@H]1C=C(C)C[C@@H](c2cc(CC[N+](C)(C)[O-])ccc2OC)[C@@H]1C(C)(C)O ZINC000033830400 KK Annotated Bother C/C=C/c1ccc2oc(-c3cccc(Oc4cc(-c5oc6ccc(/C=C/C)cc6c5C)ccc4O)c3)c(C)c2c1 ZINC000033830846 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](Oc1ccccc1)[C@@](C)(O)[C@@H](C)C2 ZINC000033831493 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]2(C)[C@H]1[C@@H](CCC=C(C)C)C(=O)O ZINC000033831656 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c4c2O[C@H](c2ccccc2)CC4=O)OC(C)(C)C=C3)c1O ZINC000033832041 KK Annotated Anodyne in-vitro biogenic CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c4c2O[C@@H](c2ccccc2)CC4=O)OC(C)(C)C=C3)c1O ZINC000033832042 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@](C)(O)[C@@H]2Oc1ccccc1 ZINC000033834034 KK Annotated Anodyne in-vitro biogenic COc1ccc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2cc(OC)c(OC)cc2-3)cc1O ZINC000033838859 KK Annotated Anodyne CCCCNC[C@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000033848714 KK Annotated Anodyne CCCCNC[C@@H](O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000033848715 KK Annotated Anodyne CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000033857905 KK Annotated Anodyne CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000033906714 KK Annotated Reactive CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000033913624 KK Annotated Anodyne CCCc1cc2c(n1Cc1cccc(Cl)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000033913628 KK Annotated Anodyne CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@@]3(Cc3ccc(F)cc3)C=C21 ZINC000033913709 KK Annotated Mild CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccccc3)C=C21 ZINC000033913710 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](OC(C)=O)[C@H](C)CC[C@H]12 ZINC000033917168 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](OC(C)=O)[C@@H](C)CC[C@H]12 ZINC000033917169 KK Annotated Mild CC(=O)OC[C@H](C)C1=C(OC(C)=O)C(=O)[C@]2(C)C/C=C(/C)CC/C=C(\C)CC[C@H](OC(C)=O)[C@@H](C)CC[C@@H]12 ZINC000033917170 KK Annotated Mild Clc1ccc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)cc1Cl ZINC000033921591 KK Annotated Mild CCCCOc1ccc([C@@H](C)NCCCNCCC(c2ccccc2)c2ccccc2)cc1OCCCC ZINC000033922525 KK Annotated Anodyne O/N=C1C(=C/c2ccc(Oc3ccccc3)cc2)/CCC[C@@H]/1[C@H](NO)c1ccc(Oc2ccccc2)cc1 ZINC000033937895 KK Annotated Mild O/N=C1C(=C/c2ccc(Oc3ccccc3)cc2)/CCC[C@@H]/1[C@@H](NO)c1ccc(Oc2ccccc2)cc1 ZINC000033937897 KK Annotated Mild O/N=C1C(=C/c2ccc(Oc3ccccc3)cc2)/CCC[C@H]/1[C@@H](NO)c1ccc(Oc2ccccc2)cc1 ZINC000033937899 KK Annotated Mild CCOCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(CC)nn23)c(OC)c1 ZINC000033974116 KK Annotated Anodyne CC(/C=C/C(C)=C/[C@@H]1Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C/C(C)=C/C=C\C(=O)O1)=C\CN(C)C ZINC000033974761 KK Annotated Anodyne CC(C)=CCc1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000033990960 KK Annotated Mild CC(C)c1oc(-c2ccc(Cl)cc2Cl)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12 ZINC000034001583 KK Annotated Anodyne Brc1cc2nc(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)[nH]c2cc1Br ZINC000034001794 KK Annotated Anodyne O=C(O)/C(=C\c1cc(-c2ccc3c(c2)OCO3)n(-c2cc(Cl)ccc2Cl)n1)c1cccc(Cl)c1 ZINC000034001988 KK Annotated Anodyne CC(C)=C[C@H]1O[C@@H]2[C@H](OC3=CC[C@]4(C)[C@@]5(C)c6[nH]c7ccccc7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C(C)(C)O1 ZINC000034002132 KK Annotated Anodyne in-vitro CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000034016202 KK Annotated Reactive CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000034016203 KK Annotated Reactive COc1cc2c(cc1O)CCn1c-2c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(O)cc3oc(=O)c21 ZINC000034039229 KK Annotated Anodyne CC(=O)/C(=C/C=C/[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1)CCl ZINC000034074177 KK Annotated Reactive CCOC(=O)Nc1cc(NCCCCN(CC)CC)c2nc(-c3ccccc3)c(-c3ccccc3)nc2n1 ZINC000034081289 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN/C=C1\C(=O)C=Cc2ccccc21 ZINC000034098043 KK Annotated Reactive COC(=O)[C@H](C/C=C/C(C)(C)O)[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 ZINC000034109001 KK Annotated Anodyne CC(C)=CCc1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000034109038 KK Annotated Mild CN(C)C(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000034109869 KK Annotated Anodyne C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\OC[C@@H](O)COCc1ccco1 ZINC000034149295 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N/OC[C@@H](O)COCc1ccco1 ZINC000034149298 KK Annotated Mild O=C(C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000034158335 KK Annotated Anodyne COCO[C@@H]1CCCC[C@@]1(OCCOCCO[C@@]1(c2ccccc2)CCCC[C@H]1OCOC)c1ccccc1 ZINC000034172373 KK Annotated Anodyne COCc1cc(OC)c(-c2cccc3c(N(CC4CCOCC4)CC4CC4)c(SC)nn23)c(OC)c1 ZINC000034177708 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]13O2)[C@H]1OC1(C)C ZINC000034177804 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)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 ZINC000034177861 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000034178123 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000034178124 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C\CCCCC#CCCCCC[C@H](O)C#CC#CCO ZINC000034212587 KK Annotated Mild CC(C)=CCC1=C(O)[C@]2(C(=O)c3ccccc3)C(=O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)C2(C)C)C1=O ZINC000034272602 KK Annotated Mild Cc1nnnn1-c1ccc(/C(=C\C2CCCCCC2)C(=O)Nc2ncc(Br)s2)cc1Cl ZINC000034315243 KK Annotated Anodyne O=C(CNC1(c2ccc(-c3cccc(F)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000034327264 KK Annotated Anodyne CCNc1cccnc1N1CCN(CC(=O)[C@H]2[C@H](C)C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@]23C)CC1 ZINC000034337357 KK Annotated Anodyne C[C@@H](OCC1(c2ccccc2)CC(NCc2n[nH]c(O)n2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034380107 KK Annotated Anodyne CCCCCC(=O)Cc1cc(O)c(O)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(CCCCC)c1O2 ZINC000034417590 KK Annotated Clean CC(C)NC(=N)c1ccc(OCc2ccc(COc3ccc(C(=N)NC(C)C)cc3)c3ccccc23)cc1 ZINC000034417764 KK Annotated Anodyne CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000034471270 KK Annotated Anodyne CC(C)=CCc1c(O)cc(O)c2c1O[C@]13C(=C[C@]4(CC=C(C)C)C[C@H]1C(C)(C)O[C@@]3(CC=C(C)C)C4=O)C2=O ZINC000034527682 KK Annotated Mild CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@H]21 ZINC000034534980 KK Annotated Anodyne C[C@H]1CCC(=O)[C@@](C)(CC[C@H](O)C(C)(C)O)[C@H]1CC[C@]1(C)[C@@H](C)CC[C@@H]2O[C@]3(O)CC[C@@]21OC3(C)C ZINC000034574984 KK Annotated Anodyne COC(=O)/C(C)=C/[C@H](O)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 ZINC000034580480 KK Annotated Anodyne CCCCCC(=O)Cc1cc(O)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2 ZINC000034582183 KK Annotated Anodyne CCCN1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000034588896 KK Annotated Anodyne C=C/C(=C\C)O[C@H](C=C(C)C)c1c(-c2ccc(OC)cc2)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3 ZINC000034602748 KK Annotated Anodyne in-vitro biogenic CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(C#N)cc43)cc2c1 ZINC000034608615 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(C#N)cc43)cc2c1 ZINC000034608616 KK Annotated Reactive CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000034613245 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 ZINC000034621223 KK Annotated Bother COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)[nH]c2c(OC)c1OC ZINC000034621386 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)[nH]c2c(OC)c1OC ZINC000034621387 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)cc2c1 ZINC000034663552 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)cc2c1 ZINC000034663553 KK Annotated Reactive CC(=O)CC[C@H](c1cc(C[C@@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)ccc1O)C(C)C ZINC000034663565 KK Annotated Anodyne CCN(CC)c1ccc(/C=C2\CCC(/C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 ZINC000034704812 KK Annotated Reactive O=S(=O)(/N=C(\O)c1cc2cc(O)ccc2n1Cc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000034717722 KK Annotated Mild COc1ccc(-c2c(/C(O)=N/S(=O)(=O)c3ccc(F)cc3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 ZINC000034717725 KK Annotated Mild COc1ccc(-c2c(/C(O)=N/S(C)(=O)=O)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 ZINC000034717729 KK Annotated Mild COc1ccc(-c2c(/C(O)=N/S(=O)(=O)c3cccc(C(F)(F)F)c3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 ZINC000034717731 KK Annotated Mild NS(=O)(=O)c1ccc(/N=C(\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1 ZINC000034718067 KK Annotated Mild Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc4ccccc4c3)nc2c1 ZINC000034721330 KK Annotated Anodyne CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)O)c(F)c3)c(C)c2)cc1C)CC ZINC000034776845 KK Annotated Anodyne CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@]2(C)c2cccc3ccccc23)cc1C#N ZINC000034790977 KK Annotated Mild CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)[C@@]2(C)c2cccc3ccccc23)cc1C#N ZINC000034790980 KK Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)CCO[C@H](C(C)(C)C)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3 ZINC000034800338 KK Annotated Mild CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)CCO[C@H](C(C)(C)C)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3 ZINC000034800339 KK Annotated Mild C[C@@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(NC(=O)C(F)(F)F)c(C(F)(F)F)cc2[nH]1 ZINC000034801542 KK Annotated Mild C[C@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc(NC(=O)C(F)(F)F)c(C(F)(F)F)cc2[nH]1 ZINC000034801543 KK Annotated Mild CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 ZINC000034801627 KK Annotated Mild CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 ZINC000034801628 KK Annotated Mild O=C1OC(c2ccc(O)c(I)c2)(c2ccc(O)c(I)c2)c2c1ccc1ccccc21 ZINC000034801981 KK Annotated Anodyne O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000034802105 KK Annotated Anodyne O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000034802112 KK Annotated Anodyne O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000034802114 KK Annotated Anodyne CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802410 KK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802411 KK Annotated Reactive C=CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802416 KK Annotated Reactive C=CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802417 KK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802432 KK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802433 KK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CS(=O)(=O)c2ccccc2)=N1 ZINC000034802436 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CS(=O)(=O)c2ccccc2)=N1 ZINC000034802437 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802446 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802447 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802448 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802449 KK Annotated Reactive CCOC(=O)C1=C(CSc2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802466 KK Annotated Reactive CCOC(=O)C1=C(CSc2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802467 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802476 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802477 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802478 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802479 KK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000034802482 KK Annotated Reactive CCO/C(O)=C1\C(CSc2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000034802483 KK Annotated Reactive CCCCCc1ccc(C(=O)N(CCN(CCCC)CCCC)Cc2ccc(-c3ccc4c(c3)OCO4)nc2)cc1 ZINC000034802895 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2NC(=O)c2ccc3ccccc3n2)CC1 ZINC000034803849 KK Annotated Anodyne CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1cc(F)ccc1F ZINC000034803957 KK Annotated Anodyne CCCCCCCCCCCCCCO[C@@H](COCc1ccc(C#N)cc1)COc1ccc(Cc2noc(O)n2)cc1 ZINC000034804790 KK Annotated Mild CCCCCCCCCCCCCCO[C@H](COCc1ccc(C#N)cc1)COc1ccc(Cc2noc(O)n2)cc1 ZINC000034804793 KK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@@H](COCc1ccc(C#N)cc1)COc1ccc(Cc2noc(O)n2)cc1 ZINC000034804798 KK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@H](COCc1ccc(C#N)cc1)COc1ccc(Cc2noc(O)n2)cc1 ZINC000034804802 KK Annotated Mild FC(F)(F)c1cccc(COc2ccc(-c3cnc4c(-c5nnn[nH]5)cnn4c3C3CCCCC3)cc2)c1 ZINC000034819958 KK Annotated Anodyne C/C1=C/C=C\C(=O)O[C@H](/C=C(C)/C=C/C(C)=C/CN(C)C)Cc2nc(cs2)CCCCC(=O)O[C@@H](C)C1 ZINC000034826605 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](/C(O)=N/c3ccccc3F)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000034855179 KK Annotated Mild COc1ccc([C@H]2[C@H](/C(O)=N/c3ccccc3F)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000034855180 KK Annotated Mild COc1ccc([C@@H]2[C@@H](/C(O)=N/c3ccccc3F)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000034855181 KK Annotated Mild COc1ccc([C@H]2[C@@H](/C(O)=N/c3ccccc3F)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000034855182 KK Annotated Mild Cc1cc(N2CCC(C)CC2)nc2ccc(/N=C(\O)CC/C(O)=N/C[C@@H]3COc4ccccc4O3)cc12 ZINC000034857992 KK Annotated Mild Cc1cc(N2CCC(C)CC2)nc2ccc(/N=C(\O)CC/C(O)=N/C[C@H]3COc4ccccc4O3)cc12 ZINC000034857993 KK Annotated Mild Cc1c(C(=O)N2CCCCC2)sc2nc(SCC(=O)C(C)(C)C)n(CCc3ccccc3)c(=O)c12 ZINC000034858630 KK Annotated Anodyne O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000034859965 KK Annotated Anodyne O=C(c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000034859967 KK Annotated Anodyne O=C(c1nn2c(c1Br)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000034859969 KK Annotated Anodyne O=C(c1nn2c(c1Br)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 ZINC000034859970 KK Annotated Anodyne CCCCCS(=O)(=O)/N=C(\O)CCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl ZINC000034874132 KK Annotated Mild COCc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1C(=S)NC1CCC(F)(F)CC1 ZINC000034875539 KK Annotated Anodyne COc1c(C)cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3oc(=O)n(C)c3c2)cc1C(=O)SC ZINC000034875798 KK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(C(F)(F)F)cc2)nc2ccccn12 ZINC000034889168 KK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1NC(C)=O ZINC000034947317 KK Annotated Anodyne COC[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C(=O)O)c2cc(/C=C/c3ccc(Cl)cc3)ccc2n1 ZINC000034948130 KK Annotated Anodyne C1=C\CCCCCC[n+]2cccc(c2)CCCCCCCCCCCCC[n+]2cccc(c2)CCCCCC/1 ZINC000034950463 KK Annotated Anodyne Cc1ccc(CN2C(=O)C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)C/C=C/[C@@H]2c2ccc(C)cc2)cc1 ZINC000034960838 KK Annotated Anodyne COc1cc([C@@H](CCN2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000034961431 KK Annotated Anodyne CCCCC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000034961471 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)/C=C/c3ccccc3)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961542 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961658 KK Annotated Anodyne COc1cc([C@H]2CC(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000003589072 KK Annotated Clean CCc1c(C)sc(NC(=O)c2cc3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3n2)c1C#N ZINC000003629443 KK Annotated Mild CC(=O)[C@H]1c2c(c(O)c3c(O)cccc3c2-c2c3c(c(O)c4c(O)cccc24)C(=O)C=C(C)[C@H]3C(C)=O)C(=O)C[C@]1(C)O ZINC000003643452 KK Annotated Mild in-vitro O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 ZINC000003670121 KK Annotated Reactive Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000003682824 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000003682835 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000003683025 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000003683030 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000003683047 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000003683050 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000003683053 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000003683054 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000003683055 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000003683104 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000003683117 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000003683137 KK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(CP(=O)(O)O)cc1)c1ccc(C)cc1 ZINC000003777026 KK Annotated Anodyne CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000003785261 KK Annotated Reactive CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccc(Cl)cc2Cl)=NN1 ZINC000003786529 KK Annotated Anodyne CCN(CC)CC#CCCC1([C@]2(O)c3ccccc3Sc3ccc(Cl)cc32)SCCCS1 ZINC000003802099 KK Annotated Mild CCCN(CC#CCCCC1(C2(O)c3ccccc3Sc3ccccc32)SCCCS1)CCC ZINC000003802105 KK Annotated Mild CCCC[C@@H]1S[C@@H](c2cccc(Oc3ccccc3)c2)N(CCCCc2ccc(C(=O)OCC)cc2)C1=O ZINC000003802420 KK Annotated Anodyne CCCC[C@H]1S[C@@H](c2cccc(Oc3ccccc3)c2)N(CCCCc2ccc(C(=O)OCC)cc2)C1=O ZINC000003802424 KK Annotated Anodyne COc1ccc(CCCCCCOc2ccc(C[C@H](O)c3cccc(C(=O)O)c3)nc2/C=C/C(=O)O)cc1 ZINC000003805167 KK Annotated Anodyne CCOP(=O)(OCC)C(C[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1)P(=O)(OCC)OCC ZINC000003805597 KK Annotated Anodyne CCCCN(O)C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000003806286 KK Annotated Anodyne CCCCN(CCCC)CCCOc1ccc(S(=O)(=O)c2c(C3CCCCC3)cn3ccccc23)cc1 ZINC000003809860 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCCCCCN1C(=O)c3ccccc3C1=O)=C2 ZINC000003813968 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N+](CCCCCCCCCCCCN1C(=O)c3ccccc3C1=O)=C2 ZINC000003813969 KK Annotated Anodyne C[N+]1=Cc2ccc(OCCCCCCCCCCN3C(=O)c4ccccc4C3=O)c3c2[C@@]2(C=C[C@H](O)C[C@@H]2O3)CC1 ZINC000003813971 KK Annotated Anodyne C[N+]1=Cc2ccc(OCCCCCCCCCCCCN3C(=O)c4ccccc4C3=O)c3c2[C@@]2(C=C[C@H](O)C[C@@H]2O3)CC1 ZINC000003813972 KK Annotated Anodyne Cn1cnc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)cc(C(CC4CC4)CC4CC4)oc3=O)C3CC3)c2)c1 ZINC000003815636 KK Annotated Anodyne COc1ccc2c(O)c([C@H](c3cccc(NS(=O)(=O)c4cccc5cccnc45)c3)C3CC3)c(=O)oc2c1 ZINC000003815640 KK Annotated Anodyne CC[C@@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2)C2CC2)c(=O)o1 ZINC000003815643 KK Annotated Mild CC(C)N1CCC(NC(=O)c2c(C#N)c3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1 ZINC000003816190 KK Annotated Mild Cc1cccc2c(C#N)c(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cc(-c4ccc(Cl)s4)on3)c12 ZINC000003816191 KK Annotated Mild CCOP(=O)(Cc1ccc(NC(=O)[C@H]2Cc3cc4c(cc3C(=O)[C@H](C)S2)OCO4)cc1)OCC ZINC000003826463 KK Annotated Anodyne N=C(N)c1cccc(Cn2c(C(=O)NCc3cc(Cl)cc(Cl)c3Cl)cc3c(O)cccc32)c1 ZINC000003831872 KK Annotated Anodyne CCCc1ccc2c(c1)-c1ccc(cc1)Cn1c(CCC)nc3ccc(cc3c1=O)NCCCCCCC/C(O)=N\S2(=O)=O ZINC000003842219 KK Annotated Anodyne in-vivo CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)/N=C(\O)CCCCCCCN3C(=O)OCc1ccccc1 ZINC000003843020 KK Annotated Anodyne in-vivo CCCc1nc2ccc3cc2c(=O)n1Cc1ccc(cc1)-c1ccccc1S(=O)(=O)/N=C(/O)CCCCCN3C(=O)OCc1ccccc1 ZINC000003843021 KK Annotated Anodyne in-vivo CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O ZINC000003872863 KK Annotated Mild world N#Cc1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000003873405 KK Annotated Mild in-vitro CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C\C=C(/C)c4ccc(C)c(=O)o4)[C@@]3(C)CC[C@H]2C1(C)C ZINC000003875004 KK Annotated Mild C[C@@H](CC[C@@H]1[C@H](C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C ZINC000003875528 KK Annotated Bother in-man C[C@H]1CCCC(C)(C)[C@@H]1CC[C@@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C ZINC000003875529 KK Annotated Bother in-man C[C@@H](CC[C@@H]1[C@H](C)CCCC1(C)C)[N+](C)(C)CCCCCC[N+](C)(C)[C@H](C)CC[C@H]1[C@H](C)CCCC1(C)C ZINC000003875530 KK Annotated Bother in-man C[C@H]1CCCC(C)(C)[C@H]1CC[C@@H](C)[N+](C)(C)CCCCCC[N+](C)(C)[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C ZINC000003875531 KK Annotated Bother in-man CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N(c3cccc4ccccc34)C2=O)cc1 ZINC000003880295 KK Annotated Clean CCNc1cccnc1N1CCN(CC(=O)[C@H]2[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@@]32C)CC1 ZINC000003913949 KK Annotated Anodyne COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1OC ZINC000003915038 KK Annotated Anodyne COc1cc(CCNCCCOc2ccc(S(=O)(=O)c3c(C(C)C)cn4ccccc34)cc2)cc(OC)c1 ZINC000003915040 KK Annotated Anodyne COc1cc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc(OC)c1 ZINC000003915041 KK Annotated Anodyne CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(CP(=O)(OCC)OCC)cc1)c1ccc(C)cc1 ZINC000003915277 KK Annotated Anodyne C=CC[P@](=O)(Cc1ccc(O[C@@H]2N(C(=O)N[C@H](CCC)c3ccc(C)cc3)C(=O)C2(CC)CC)cc1)OCC ZINC000003915308 KK Annotated Mild CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@](=O)(CCC)O[C@@H](OC(=O)CC)C(C)C)cc1)c1ccc(C)cc1 ZINC000003915311 KK Annotated Anodyne CCN(CC)CCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000003915813 KK Annotated Anodyne CC(=O)N1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCO3)CC1 ZINC000003916714 KK Annotated Anodyne CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3sc(Cl)c(Cl)c3n2)c1 ZINC000003916940 KK Annotated Anodyne CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3sc(F)c(F)c3n2)c1 ZINC000003916945 KK Annotated Anodyne O=C(NCCCn1ccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000003917290 KK Annotated Anodyne CCN(CC)CCC/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000003917972 KK Annotated Bother CCN(CC)CCC[C@@H](C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000003917975 KK Annotated Bother Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O ZINC000003918054 KK Annotated Reactive CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 ZINC000003918735 KK Annotated Anodyne CC[C@@H](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@](O)(Cc2ccc(O)cc2)NC1=O ZINC000003919220 KK Annotated Mild O[C@]12C=C([C@@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000003919431 KK Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ccc(Cl)cc3C=Cc3cc(Br)cnc32)CC1 ZINC000003919623 KK Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ccc(Cl)cc3C=C(Br)c3cc(Br)cnc32)CC1 ZINC000003919625 KK Annotated Anodyne COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@@H]1COc2ccc(OCc3nc4cc(F)c(F)cc4s3)cc2[C@@H]1O ZINC000003919978 KK Annotated Anodyne CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C\CCCC(=O)O)C[C@H]12 ZINC000003920361 KK Annotated Reactive COc1ccccc1CNCCNC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1 ZINC000003921616 KK Annotated Anodyne CCCCc1oc2ccccc2c1S(=O)(=O)c1ccc(OCCCN(C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000003922463 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc45)[C@H](O)[C@H](C)OC6)c2c1)C[C@H](C)OC3 ZINC000003922756 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc45)C[C@H](C)OC6)c2c1)[C@H](O)[C@H](C)OC3 ZINC000003922759 KK Annotated Anodyne CCCOc1c(OCCCn2ccnc2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O ZINC000003922776 KK Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4ccc(-c5nc6cc(Br)c(Br)cc6[nH]5)cc4[nH]3)cc2[nH]1 ZINC000003923420 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000003924688 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000003924689 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000003924690 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000003924698 KK Annotated Mild CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2o1 ZINC000003925169 KK Annotated Anodyne CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000003925170 KK Annotated Anodyne CCCNc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1 ZINC000003925171 KK Annotated Anodyne O=C(O)COc1ccc2[nH]cc(C[C@H](NC(=O)c3ccc4c(c3)nc(-c3ccoc3)n4C3CCCCC3)C(=O)O)c2c1 ZINC000003925296 KK Annotated Anodyne COc1c(SC)c(CCN(C)C)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3ssc2c1OC ZINC000003925306 KK Annotated Bother COc1c(OC)c2c(c(CCN(C)C)c1SC)Sc1c(OC)c(OC)c(SC)c(CCN(C)C)c1S2 ZINC000003925307 KK Annotated Anodyne in-vitro COc1ccc(-n2c3cssc-3c(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2=O)c(OC)c1 ZINC000003925338 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)C[C@H](C)OC3 ZINC000003925457 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)[C@H](OC(C)=O)[C@H](C)OC3 ZINC000003925458 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@H]5OC(C)=O)c2c1)[C@H](O)[C@H](C)OC3 ZINC000003925459 KK Annotated Anodyne CCOC(=O)c1c(CCc2ccc(C(F)(F)F)cc2)nc2c(c1-c1ccc(C(=O)N[C@@H](C)c3ccncc3)cc1)C(=O)N1CCC[C@@H]21 ZINC000003925708 KK Annotated Anodyne O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(-c3ncc(N4CCC(C(F)(F)F)CC4)s3)ccc2C1 ZINC000003926173 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CCOc1ccc2c(c1)OCO2 ZINC000003928338 KK Annotated Anodyne C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)C(=O)C(C)(C)[C@@H]1CC3 ZINC000003929001 KK Annotated Anodyne CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000003929643 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(OC)cc1OC)=C1C(=O)OC(C)(C)OC1=O ZINC000003929645 KK Annotated Anodyne CCCCCc1ccc(CN(C(Nc2ccc(OC)cc2OC)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000003929647 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000003929648 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000003929649 KK Annotated Anodyne COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000003929852 KK Annotated Reactive COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000003929853 KK Annotated Reactive CC(C)CCN1C(=O)[C@@H](NC(=O)Oc2cccc(N(C)C)c2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000003930047 KK Annotated Anodyne C=C1CCC[C@@H]2[C@@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(O)C(=O)c2oc3c(C[C@]4(C)[C@@H](C)CC[C@@]5(C)C(=C)CCC[C@H]54)c(O)c(O)cc3c2C1=O ZINC000003930324 KK Annotated Mild Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NN(CC(C)C)C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 ZINC000003930447 KK Annotated Reactive CCC(CC)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O ZINC000003930613 KK Annotated Clean COc1cc(Cc2cc(OC)c3c(c2O)C(=O)c2c(ccc4c2[C@@H](O)C[C@@H](C)C4)C3=O)c(O)c2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3 ZINC000003931520 KK Annotated Clean in-vitro O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)OCc1ccccc1 ZINC000003931842 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1-c1ccccn1 ZINC000003931846 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1-c1nc2ccccc2s1 ZINC000003931849 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1N1CCOCC1 ZINC000003931851 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1-c1nc2ccccc2o1 ZINC000003931854 KK Annotated Anodyne O=C(NC1COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OC1)c1ccccc1 ZINC000003931858 KK Annotated Anodyne CCCC(CCC)NC(=O)N[C@H](C(=O)C[C@@H](CC(=O)C(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](CC)C(C)(C)C)C1(C(=O)O)CCCC1)C(C)(C)C ZINC000003932339 KK Annotated Anodyne COc1ccc(CCCCCCCCOc2ccc(C[S@](=O)c3cccc(N)c3)nc2/C=C/C(=O)O)cc1 ZINC000003932453 KK Annotated Anodyne in-vivo CCC1(N(CCO)C(=O)c2ccccc2CC[C@H](O)Cc2ccc(C)cc2C(=O)N(CCO)C(C)(C)c2ccccc2)CCCC1 ZINC000003932456 KK Annotated Anodyne CN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1 ZINC000003933053 KK Annotated Bother N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCN(C3CCOCC3)CC2)c1 ZINC000003933471 KK Annotated Mild COc1cc2c(cc1OCCCCOc1cc(-c3ccc(F)cc3)nc(C)n1)N=C[C@@H]1CCCN1C2=O ZINC000003933606 KK Annotated Anodyne CC[C@@H](C)N1C(=O)[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21 ZINC000003933721 KK Annotated Anodyne CC[C@H](C)N1C(=O)[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)N=C(C2CC2)c2ccccc21 ZINC000003933724 KK Annotated Anodyne CCN(CC)C(=O)c1cc(S(=O)(=O)Cc2ccccc2)c(N2CCC(c3ccccc3)CC2)cc1N(CC)CCN(C)C ZINC000003934040 KK Annotated Anodyne CCCC(=O)O[C@H]1[C@@H]([N+]2(C)CCCCCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000003934043 KK Annotated Bother investigational C[C@H](NC(=O)c1c(CN2CCC(N3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 ZINC000003934165 KK Annotated Anodyne Cc1ccc([C@H]2Sc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@H]2OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000003934454 KK Annotated Bother CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OC(=O)NCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000003934869 KK Annotated Anodyne in-vitro CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OCCc2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000003934873 KK Annotated Anodyne COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(C(C)(C)C(=O)O)cc3)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1 ZINC000003936144 KK Annotated Anodyne Cc1oc([C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@H](CC(C)C)OC(=O)N(C)C2CCCCC2)nc1C(=O)O ZINC000003936477 KK Annotated Anodyne O=C(COc1c(F)cc(-c2ccc(C(=O)O)cc2)cc1[N+](=O)[O-])NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000003936961 KK Annotated Bother C=C1C[C@H]2C=Nc3cc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C=N5)c(OC)cc3C(=O)N2C1 ZINC000003937834 KK Annotated Mild Cc1cc(OCCCS(N)(=O)=O)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000003937838 KK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)cc1 ZINC000003938046 KK Annotated Anodyne O=C(O)CC1(CS[C@H](CCc2ccc(Br)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000003938197 KK Annotated Anodyne O=C(O)CC1(CS[C@H](CCc2ccc(F)cc2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)CC1 ZINC000003938224 KK Annotated Anodyne CC(C)(O)c1ccc(CC[C@@H](SCC2(CC(=O)O)CC2)c2cccc(/C=C/c3ccc4sc(Cl)c(Cl)c4n3)c2)cc1 ZINC000003938227 KK Annotated Anodyne CCN1C(=O)c2ccccc2[C@H]1[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000003938812 KK Annotated Anodyne C[C@H]1Oc2ccc(OCc3nc4cc(F)ccc4s3)cc2[C@H](O)[C@@H]1Cc1cccc(NS(=O)(=O)C(F)(F)F)c1 ZINC000003939278 KK Annotated Anodyne COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](O)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C ZINC000003939353 KK Annotated Anodyne COc1cccc(CNc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C(F)(F)F)c2)c1Oc1ccc([N+](=O)[O-])cc1C(=O)O ZINC000003939834 KK Annotated Bother CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCCCCCCC[N+]34CCN(CC3)CC4)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000003939899 KK Annotated Bother COC(=O)c1cc(C[C@H]2SC(=O)NC2=O)ccc1OCCn1c(CCCCC2CCCCC2)nc2ccccc21 ZINC000003940104 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)O[C@H]2OP(=O)(Cc1cccc2ccccc12)O[C@H]1OC(=O)c2c1cc(OC)c(OC)c2OC ZINC000003940478 KK Annotated Anodyne O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 ZINC000003940626 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N(C)C)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000003940988 KK Annotated Anodyne COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl ZINC000003941149 KK Annotated Anodyne investigational CC[C@H](C)[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)OC)cs1)C(C)C)N(CC=C(C)C)CC=C(C)C ZINC000003941198 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000003941222 KK Annotated Anodyne O=C1c2cccc3cc4ccccc4c(c23)C(=O)N1CCNCCCCNCCN1C(=O)c2cccc3cc4ccccc4c(c23)C1=O ZINC000003942185 KK Annotated Bother Cc1cc(-c2c(OCC[C@H]3CCCO3)c3cc(C(=O)Nc4ccncn4)c(Cl)cc3[nH]c2=O)cc(C)c1C ZINC000003942361 KK Annotated Anodyne CC(C)[C@H](OC(=O)N[C@](C)(Cc1cccc(F)c1F)C(=O)NCCCCCCCNC(N)=O)c1ccccc1 ZINC000003942515 KK Annotated Anodyne in-vivo O=C1N(Cc2ccc(CBr)cc2)[C@H](Cc2ccccc2)P(=O)(O)[C@H](Cc2ccccc2)N1Cc1ccc(CBr)cc1 ZINC000003942959 KK Annotated Reactive Nc1ccc(Oc2ccc(C34CC5C[C@H]6[C@@H]3CC3C[C@@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)cc5)cc4)C3)cc2)cc1 ZINC000003943099 KK Annotated Clean Nc1ccc(Oc2ccc(C34CC5C[C@H]6[C@@H]3CC3C[C@@H]4[C@@H](C5)C6(c4ccc(Oc5ccc(N)c(O)c5)cc4)C3)cc2)cc1O ZINC000003943100 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4CC5CCC4CC5)cc3c2[C@H](C)CNCCc2ccc3n[nH]nc3c2)c1 ZINC000003943282 KK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN(C(=O)c2cccc(F)c2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1 ZINC000003943487 KK Annotated Mild Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000003943662 KK Annotated Reactive Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4s3)ccc2[nH]1 ZINC000003943663 KK Annotated Reactive COc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(CNC(=O)N(C)O)c1OCCSc1ccc(Cl)cc1 ZINC000003944216 KK Annotated Anodyne CCCCCC[C@H](C(=O)N1C[C@@H](Oc2ccc(CC(=O)O)cc2)C[C@H]1C(=O)O)n1cnc2cc(-c3ccccc3S(=O)(=O)O)ccc21 ZINC000003944218 KK Annotated Anodyne CC(C)Oc1cccc(CC(=O)N2CCC[C@](CC[N+]3(C)CCC4(CC3)NC(=O)Cc3ccccc34)(c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000003946021 KK Annotated Bother CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000003946775 KK Annotated Anodyne O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCC(O)CC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000003948288 KK Annotated Anodyne O=C(NCCCn1ccnc1)[C@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000003948322 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)/C=C(/C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 ZINC000003948513 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1 ZINC000003949313 KK Annotated Anodyne O=[S@@](c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 ZINC000003949325 KK Annotated Reactive O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1 ZINC000003950111 KK Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@H]2c3ccc(Cl)c(Br)c3CCc3cc(Br)cnc32)CC1 ZINC000003950121 KK Annotated Anodyne CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3c(n2)CCCC3)c1 ZINC000003950734 KK Annotated Anodyne N#CN/C(=N/c1ccc2c(c1)COCO2)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1 ZINC000003950774 KK Annotated Mild CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1cn(C)c2ccccc12 ZINC000003950812 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CCCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000003950886 KK Annotated Anodyne COCCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cc(Br)cs3)c2-c2ccc(OC)c(OC)c2)cc1 ZINC000003951083 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCN3CC(C)C)cc1 ZINC000003951942 KK Annotated Anodyne in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000003952455 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000003952456 KK Annotated Mild COc1ccc2c(c1)[C@@]13C[C@@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000003953202 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN[C@H]5C2)CCN1C ZINC000003954486 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000003955163 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000003955164 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000003955165 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)C1 ZINC000003955166 KK Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccccc4Cl)nc3n2)CC1 ZINC000003955170 KK Annotated Anodyne C[C@@H]([C@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000003955187 KK Annotated Anodyne C[C@H]([C@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000003955189 KK Annotated Anodyne C[C@@H]([C@@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000003955191 KK Annotated Anodyne C[C@H]([C@@H](O)c1ccccc1)N(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000003955194 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000003955199 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000003955200 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000003955203 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000003955207 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(O)(Cc4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000003955208 KK Annotated Anodyne Cc1cccc(C)c1N1CCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)CC1 ZINC000003955211 KK Annotated Anodyne CN(c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1)C1CCCCC1 ZINC000003955212 KK Annotated Anodyne CC(C)(C)c1cc(CCCOc2ccc(NC[C@@H](O)COc3cccc4cnccc34)cc2)cc(C(C)(C)C)c1O ZINC000003955342 KK Annotated Anodyne O=C(O)[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)C1 ZINC000003955526 KK Annotated Anodyne Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000003955738 KK Annotated Anodyne N#Cc1ccc(CN2CCCC3(CCN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3)C2)cc1 ZINC000003956109 KK Annotated Mild Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(CCCCNC(=O)OCc5ccccc5Cl)nc4n3)C[C@@H]2C)c1 ZINC000003956674 KK Annotated Anodyne Cc1nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(F)(F)F)cc4)c3Cl)cccc2s1 ZINC000003960580 KK Annotated Anodyne COC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000003960622 KK Annotated Anodyne CCC(CC)CC(=O)c1c(C(=O)OC)c(-c2ccc(OC)c(OC)c2)c2c(OC)c(OC)c(OC)cc2c1O ZINC000003960894 KK Annotated Anodyne Cn1nc(C[C@@H](CC(=O)O)c2cnc(-c3ccc(Cl)cc3)s2)cc1OCCc1ccc2c(n1)NCCC2 ZINC000003962001 KK Annotated Anodyne C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@](C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000003962169 KK Annotated Anodyne Cc1noc(C)c1S(=O)(=O)NC(=O)c1cc(COc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 ZINC000003962731 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)NC(=O)c1cc(CNc2ccc(-c3ccc(OC(F)F)cc3)cc2)c(C)o1 ZINC000003962751 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CN[C@H](C)C(C)(C)C)cc4)s3)cc(C)c2C)CC1 ZINC000003962969 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000003963006 KK Annotated Anodyne COc1ccc(CCn2c(C(=O)N(C)C)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000003964408 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000003964945 KK Annotated Bother COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000003965314 KK Annotated Mild COc1ccc(-c2ccc3c(n2)CCCN3C[C@H](O)CN2CCCc3nc(-c4ccc(Br)cc4)ccc32)cc1 ZINC000003965545 KK Annotated Anodyne O=C(NCCC[N+]1=CC=N[C@H]1c1ccccc1)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000003965558 KK Annotated Anodyne Cc1cc2c(nc1C)CCCN2C[C@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000003965566 KK Annotated Anodyne Cc1cc2c(nc1C)CCCCN2C[C@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000003965568 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@H]2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl ZINC000003965935 KK Annotated Anodyne CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@H](c4nn[nH]n4)C3)ncn2)cc1C(F)(F)F ZINC000003965941 KK Annotated Anodyne O=C(Nc1ccc(C(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 ZINC000003966302 KK Annotated Anodyne CN(C)C[C@@H](O)COc1ccc(Nc2ncc(Br)c(N(CCCC(F)(F)F)c3ccccc3)n2)cc1 ZINC000003966475 KK Annotated Anodyne C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](Cn2cnc3ccccc32)c2ccccc2)CC1 ZINC000003966491 KK Annotated Mild CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCCCC[N+]34CCN(CC3)CC4)cc2)[C@H]1O ZINC000003970927 KK Annotated Bother C=CC/C=C/N(C)C(=O)CCCCCCCC/C=C/[C@H](CSSC[C@@H](/C=C/CCCCCCCCC(=O)N(C)/C=C/CC=C)NC(C)=O)NC(C)=O ZINC000003973738 KK Annotated Reactive in-vitro CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H]6C[C@@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1 ZINC000003974533 KK Annotated Mild CCC[C@@H](CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1)OC(C)=O ZINC000003974648 KK Annotated Anodyne CCC[C@@H](O)CCCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000003974649 KK Annotated Anodyne in-vitro CCC/C=C/CCCCCCc1cc(O)cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000003974650 KK Annotated Anodyne in-vitro COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC(=O)c5c(cc(OC(C)=O)c(OC(C)=O)c5C=O)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000003974906 KK Annotated Anodyne COc1cc(NC(=O)N[C@@H](C[N+]2(C)CCC(Cc3ccc(Cl)c(Cl)c3)CC2)C(C)C)cc(OC)c1OC ZINC000003976115 KK Annotated Bother in-vitro Cc1nn(-c2ccc(I)cc2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 ZINC000003976421 KK Annotated Clean C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CCC(=O)O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000003976534 KK Annotated Mild C/C1=C/C[C@@H](c2ccc3sc(C)nc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000003976582 KK Annotated Anodyne O=C(Cc1cc[n+]([O-])cc1)N1CCC([C@@H]2c3ncc(Br)cc3C=Cc3cc(Cl)cc(Br)c32)CC1 ZINC000003976956 KK Annotated Anodyne CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000003977797 KK Annotated Anodyne CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000003977799 KK Annotated Anodyne CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@H]2C(C)(C)CCC[C@]32C)cc2c1CC[C@H]1C(C)(C)CCC[C@]21C ZINC000003978242 KK Annotated Anodyne in-vitro CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@@H]2C(C)(C)CCC[C@]32C)cc2c1CC[C@@H]1C(C)(C)CCC[C@]21C ZINC000003978245 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000003978310 KK Annotated Anodyne C[N+]1(CC2CCCCCCC2)CCC(NC(=O)C2c3cc(Br)ccc3Oc3ccc(Br)cc32)CC1 ZINC000003979255 KK Annotated Bother C[C@@H](C(=O)NC1(c2ccccc2)CCC(N2CCC3(CC2)CCC(C)(C)O3)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000003979812 KK Annotated Anodyne NC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000003979814 KK Annotated Anodyne COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCOC(=O)Nc1ccccn1 ZINC000003980528 KK Annotated Anodyne N#C[C@]1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21 ZINC000003981161 KK Annotated Mild Cc1ccc(-c2c3n(c(=O)c4ncccc24)CC[C@@H](C)CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1 ZINC000003981329 KK Annotated Anodyne N=C(NC(=O)Oc1ccc(F)cc1)c1ccc(-c2ccc(-c3ccc(C(=N)NC(=O)Oc4ccc(F)cc4)cc3)o2)cc1 ZINC000003981334 KK Annotated Anodyne COc1ccc(OC(=O)NC(=N)c2ccc(-c3ccc(-c4ccc(C(=N)NC(=O)Oc5ccc(OC)cc5)cc4)o3)cc2)cc1 ZINC000003981335 KK Annotated Anodyne Cc1cc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc(C)c1OS(=O)(=O)c1ccc(C(=O)O)c(O)c1 ZINC000003981793 KK Annotated Anodyne O=C(O)c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(C(=O)c5ccccc5)oc5ccccc45)cc3)cc2C2CCCC2)cc1O ZINC000003981796 KK Annotated Anodyne CCSC[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1 ZINC000003982102 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C(=O)O)=C[C@]34C)[C@]1(C)CC2 ZINC000003982152 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000003982169 KK Annotated Anodyne CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[n+]4ccccc4)cc3)cc2)[C@H]1O ZINC000003985312 KK Annotated Anodyne Cc1cc(C)cc(-c2[nH]c3ccc(C(C)(C)C(=O)N4C5CCC4CC5)cc3c2[C@H](C)CNCCCc2cnc3nccnc3c2)c1 ZINC000003985600 KK Annotated Anodyne CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)cc1 ZINC000003985677 KK Annotated Anodyne CCCC[C@]1(C[C@@](O)(C(=O)Nc2ccc3c(=O)onc(C)c3c2)C(F)(F)F)CCCc2ccccc21 ZINC000003986259 KK Annotated Anodyne CCc1c(CC)c2cc3nc(cc4[nH]c(c(CC)c4CC)c4[nH]c(cc5nc(cc1[nH]2)c(CCCO)c5C)c(CC)c4CC)c(C)c3CCCO ZINC000003986662 KK Annotated Bother in-vitro N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN(C3CCOCC3)CC2)c1 ZINC000003987147 KK Annotated Mild O=C(CN1CCc2cc(-c3ccncc3)ccc2[C@@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000003987149 KK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN(Cc3ccoc3)CC2)c1 ZINC000003987159 KK Annotated Mild COc1ccccc1CN1CCC([C@@H]2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000003987161 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN(CC3CC3)CC2)c1 ZINC000003987162 KK Annotated Mild CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4nncn4CCC)cc2)CCCN3CCC)cc1 ZINC000003988719 KK Annotated Anodyne Cc1cccc(COP(=O)(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)OCc2cccc(C)n2)n1 ZINC000003988818 KK Annotated Anodyne O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000003990479 KK Annotated Reactive O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2o1 ZINC000003990481 KK Annotated Reactive Oc1cc(O)cc(-c2c3nc(cc4ccc([nH]4)c(-c4cc(O)cc(O)c4)c4ccc(cc5ccc2n5)[nH]4)CC3)c1 ZINC000003991133 KK Annotated Bother C=C(Cl)CN1C[C@H](OC[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)OC[C@H]1C(C)C ZINC000003991697 KK Annotated Mild C=C(Cl)CN1C[C@H](OC[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)OCC12CCCC2 ZINC000003991698 KK Annotated Mild COc1cc2c(cc1OCCCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000003991720 KK Annotated Reactive CCOC(=O)CCCCO/N=C(\c1ccc(C(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000003992368 KK Annotated Mild CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(C(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000003992369 KK Annotated Mild O=C(CCS)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1 ZINC000003993267 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000003994194 KK Annotated Reactive COCCOc1cc([N+](=O)[O-])ccc1COC(=O)Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000003994195 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCO)c3ccccc43)[nH]c2c(OC)c1OC ZINC000003994196 KK Annotated Reactive CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 ZINC000003994280 KK Annotated Mild CCO/N=C(\c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3c(Br)cncc3Br)CC2)CC1 ZINC000003994281 KK Annotated Mild O[C@@H]([C@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1 ZINC000003994289 KK Annotated Anodyne O[C@@H]([C@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000003994290 KK Annotated Anodyne CC(C)(C)C(=O)c1ccc(C(=O)OCCC(COC(=O)c2ccc(C(=O)C(C)(C)C)cc2)COC(=O)c2ccc(C(=O)C(C)(C)C)cc2)cc1 ZINC000003994499 KK Annotated Anodyne COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000003994507 KK Annotated Anodyne Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)cc1Cl ZINC000003994949 KK Annotated Anodyne Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2Br)cc1 ZINC000035002826 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)Nc2cccc(F)c2)c2ncccc2c1 ZINC000035002940 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)Nc2cccc(F)c2)c2ncccc2c1 ZINC000035002944 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)Nc2ccccc2OC)c2ncccc2c1 ZINC000035002952 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)Nc2ccccc2OC)c2ncccc2c1 ZINC000035002955 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)NC2CCCCC2)c2ncccc2c1 ZINC000035003006 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)NC2CCCCC2)c2ncccc2c1 ZINC000035003009 KK Annotated Anodyne Cc1ccc(-n2nccc2OCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000035015743 KK Annotated Anodyne COc1ccc(CN(CCc2ccccc2)Cc2c(O)ccc3c(=O)cc(/C=C/c4ccccc4)oc23)cc1 ZINC000035048754 KK Annotated Clean O=C1c2ccccc2SCC[C@@]12[C@H](c1cccs1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000035076796 KK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2cccc(Br)c2)nc2ccccn12 ZINC000035077616 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)COCc2ccccc2)c2ncccc2c1 ZINC000035096000 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)COCc2ccccc2)c2ncccc2c1 ZINC000035096003 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2)c2ncccc2c1 ZINC000035096083 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2)c2ncccc2c1 ZINC000035096085 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(C)c2C(=O)OC(C)C)C[C@@H]1C ZINC000035151533 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)N1CCN(C(=O)c2nc(-c3ccccc3)nc(C)c2C(=O)OC(C)C)C[C@H]1C ZINC000035151535 KK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccn12 ZINC000035168362 KK Annotated Anodyne Cc1ccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@@H]2C)c(C)c1 ZINC000035174437 KK Annotated Anodyne Cc1ccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@H]2C)c(C)c1 ZINC000035174440 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000035229171 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1Cl ZINC000035229174 KK Annotated Anodyne CC(C)(C)c1cc(O)c(OCCOCCOc2c(O)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000035259849 KK Annotated Anodyne COc1cc(CCN(C)C)c2c(c1O)SSc1c(CCN(C)C)cc(OC)c(O)c1SS2 ZINC000035274629 KK Annotated Reactive CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000035324977 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(Cl)cc1 ZINC000035325064 KK Annotated Mild CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(Cl)cc2Cl)nc2ccccn12 ZINC000035343117 KK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2ccc(Br)cc2)nc2ccccn12 ZINC000035419127 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000035602907 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000035602909 KK Annotated Anodyne COC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000035602913 KK Annotated Anodyne Cc1cccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@@H]2C)c1C ZINC000035703007 KK Annotated Anodyne Cc1cccc(NC(=O)N2CCN(C(=O)c3nc(-c4ccccc4)nc(C)c3C(=O)OC(C)C)C[C@H]2C)c1C ZINC000035703009 KK Annotated Anodyne COc1cccc(CC(=O)O)c1OCCCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl ZINC000035802945 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1 ZINC000035803245 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)C1 ZINC000035803246 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(C(F)(F)F)c2)C1 ZINC000035803270 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C(CC[C@@H]3C(=C2)C=CC(=O)OC3(C)C)[C@]2(C)CC[C@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)[C@@]12C ZINC000035851324 KK Annotated Anodyne CNC[C@H](CC(C)C)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1 ZINC000035851368 KK Annotated Anodyne OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccc(Br)cc3)(CC1)CC2 ZINC000035874287 KK Annotated Bother C[C@@H](CC[C@@]1(C)[C@H](C)[C@H](O)C[C@@]2(C)C(COC(=O)/C=C/c3ccc(O)c(O)c3)=CCC[C@@H]21)CC(=O)O ZINC000035903894 KK Annotated Clean in-vitro biogenic CN(C)CCCNc1nccc(-c2c(-c3ccc(C(F)(F)F)cc3)nn3cc(C(F)(F)F)ccc23)n1 ZINC000035904019 KK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000035913045 KK Annotated Anodyne CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 ZINC000035913046 KK Annotated Anodyne CCC(=O)O[C@@H]1c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC(C)(C)[C@@H]1OC(=O)CC ZINC000035923291 KK Annotated Bother Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000035953517 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1cccc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000035953518 KK Annotated Anodyne C[C@@H]1CN(c2ncc(N)cc2Cl)CCN1c1nc2c(-c3ccc(F)cc3)cc(C(F)(F)F)cc2[nH]1 ZINC000035975032 KK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c(C#N)cccc43)cc2c1 ZINC000035975198 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c(C#N)cccc43)cc2c1 ZINC000035975199 KK Annotated Reactive CNC[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000035985888 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000035985889 KK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000035985890 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2)C1 ZINC000035985891 KK Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@@H](C)C2 ZINC000035999388 KK Annotated Anodyne in-vitro biogenic COc1cc2c3cc1Oc1cccc(c1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CC[N+]1(C)C ZINC000036079937 KK Annotated Bother COc1cc2c3cc1Oc1cccc(c1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CC[N+]1(C)C ZINC000036079938 KK Annotated Bother CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@H](C3CC4(CC4)C3)NC[C@@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080057 KK Annotated Anodyne CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H](C3CC4(CC4)C3)NC[C@@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080058 KK Annotated Anodyne CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@H](C3CC4(CC4)C3)NC[C@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080059 KK Annotated Anodyne CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H](C3CC4(CC4)C3)NC[C@H]1C1CC3(CC3)C1)c1cc(Cl)ccc1-2 ZINC000036080060 KK Annotated Anodyne CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036080427 KK Annotated Mild CC(C)(C)c1nc(N2CCN(CCCCn3ccc(-c4ccccc4)cc3=O)CC2)cc(C(F)(F)F)n1 ZINC000036089313 KK Annotated Anodyne CCCCCCCCS(=O)(=O)Nc1cccc([C@@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000036124640 KK Annotated Mild CCCCCCCCS(=O)(=O)Nc1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1 ZINC000036124643 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C/CCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000036124803 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000036124815 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12 ZINC000036124913 KK Annotated Mild O=S(=O)(NC[C@@H]1C[C@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000036126635 KK Annotated Anodyne O=S(=O)(NC[C@H]1C[C@]2(c3ccc(F)cc3)N[C@H]1CC[C@H]2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 ZINC000036126636 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)N[C@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036126660 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@H]1C[C@]2(c3ccccc3)N[C@H]1CC[C@@H]2OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036126661 KK Annotated Anodyne C[C@@H](O[C@@H]1CC[C@@H]2N[C@@]1(c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036126662 KK Annotated Anodyne C[C@@H](O[C@H]1CC[C@@H]2N[C@@]1(c1ccccc1)C[C@H]2S(=O)(=O)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036126663 KK Annotated Anodyne C[C@@H]1CC(N2CCN([C@@H]3CCc4ccc(OCc5noc(-c6ccc(Cl)cc6)n5)cc43)CC2)C[C@H]1C ZINC000036126805 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cccc(OC)c1CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000036126969 KK Annotated Mild O[C@H]([C@H](COCc1ccc(F)cc1)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1 ZINC000036139880 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@H](O)[C@@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000036139894 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccccc1F)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1F ZINC000036139901 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(F)cc1F)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccc(F)cc1F)OCc1ccccc1 ZINC000036139908 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1F)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1F ZINC000036139940 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccc(C)cc2)[C@H](O)[C@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccc(C)cc2)cc1 ZINC000036139962 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1)[C@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1 ZINC000036139973 KK Annotated Anodyne Cc1ccc(COC[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@@H](COCc2ccc(C)cc2)OCc2ccccc2)cc1 ZINC000036139995 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000036140007 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Cl)cc1)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Cl)cc1 ZINC000036140015 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(F)cc1)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(F)cc1 ZINC000036140026 KK Annotated Anodyne O[C@H]([C@H](COCc1c(F)cccc1F)OCc1ccccc1)[C@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccccc1 ZINC000036140033 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1F)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccccc1F)OCc1ccccc1 ZINC000036140039 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000036140047 KK Annotated Anodyne N#Cc1ccc(COC[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000036140050 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000036140241 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000036140244 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000036140263 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000036140268 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCC(=O)N(C)c2ccccc2)(c2ccccc2)OC1=O ZINC000036140274 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCC(=O)N(C)c2ccccc2)(c2ccccc2)OC1=O ZINC000036140278 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCCC(=O)Nc2ccccc2)(c2ccccc2)OC1=O ZINC000036140288 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCCC(=O)Nc2ccccc2)(c2ccccc2)OC1=O ZINC000036140292 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000036140319 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000036140322 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000036140325 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)OC1=O ZINC000036140330 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000036140333 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCCC(=O)N2CCOCC2)(c2ccccc2)OC1=O ZINC000036140336 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@](CCCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000036140340 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1C(=O)C[C@@](CCCCC(=O)N2CCSCC2)(c2ccccc2)OC1=O ZINC000036140344 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC1CCCC1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1 ZINC000036140522 KK Annotated Anodyne Cc1ccc(C)c(N2CCN(Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3CO)CC2)c1 ZINC000036140531 KK Annotated Anodyne CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N/C(=N/C#N)Nc2ccccc2Br)c1O)N1C[C@H](C)O[C@H](C)C1 ZINC000036143835 KK Annotated Mild CCCCC[P+](CCCCC)(CCCCC)Cc1ccc(-c2ccc(C[P+](CCCCC)(CCCCC)CCCCC)cc2)cc1 ZINC000036144054 KK Annotated Mild CCCCC[P+](CCCCC)(CCCCC)Cc1ccc2cc(C[P+](CCCCC)(CCCCC)CCCCC)ccc2c1 ZINC000036144059 KK Annotated Mild C=CCn1c(Br)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000036144196 KK Annotated Mild CC1CCC(N[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036151821 KK Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)cc1 ZINC000036151860 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[C@H]1CCN(C(=O)N2CC[C@@H](NC3CCC(C)(C)CC3)C2)C1 ZINC000036151867 KK Annotated Anodyne COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NC5CCC(C)(C)CC5)C4)C3)s2)c(C)c1 ZINC000036151880 KK Annotated Anodyne CCCCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC=O)=CC3=O)n1 ZINC000036152411 KK Annotated Mild CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CNc2nccs2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000036152698 KK Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CC2CCNCC2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000036152703 KK Annotated Anodyne CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(CNc2ccn(C)n2)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000036152709 KK Annotated Anodyne FC(F)(F)c1ccccc1CN(Cc1csc(Nc2cccc3ccccc23)n1)CC1CCCCC1 ZINC000036159718 KK Annotated Anodyne CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160528 KK Annotated Anodyne CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160555 KK Annotated Anodyne CC(C)(C)C(=O)N(Cc1ccccc1)[C@H]1CCC[C@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160563 KK Annotated Anodyne CC(C)(C)C(=O)N(Cc1ccccc1)[C@@H]1CCC[C@@H](CN(C(=O)c2ccc(F)cc2)c2cccc(OCCN3CCCC3)c2)C1 ZINC000036160568 KK Annotated Anodyne C[C@H]([C@H](O)[C@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000036161758 KK Annotated Anodyne C[C@H]([C@@H](O)[C@H](O)[C@@H](C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000036161766 KK Annotated Anodyne CC[C@@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2CS1(=O)=O ZINC000036175582 KK Annotated Anodyne CC[C@H]1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2CS1(=O)=O ZINC000036175586 KK Annotated Anodyne C[C@@H](c1ccccc1OCCCN1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000036175748 KK Annotated Anodyne C[C@H](c1ccccc1OCCCN1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000036175752 KK Annotated Anodyne CCN(CC)CCCOc1ccccc1[C@@H](C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175756 KK Annotated Anodyne CCN(CC)CCCOc1ccccc1[C@H](C)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175760 KK Annotated Anodyne C[C@@H](c1ccccc1OCCCN1CCOCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175765 KK Annotated Anodyne C[C@H](c1ccccc1OCCCN1CCOCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175768 KK Annotated Anodyne C[C@@H](c1ccccc1OCCCN1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000036175791 KK Annotated Anodyne C[C@H](c1ccccc1OCCCN1CCCC1)N(c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000036175796 KK Annotated Anodyne C[C@@H](c1ccccc1OCCCN1CCCC1)N(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175840 KK Annotated Anodyne C[C@H](c1ccccc1OCCCN1CCCC1)N(c1ccc(C(=O)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000036175843 KK Annotated Anodyne CCCCCCCC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1cccc2ccccc12 ZINC000036177740 KK Annotated Mild CCCCCCCC(=O)OCc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1cccc2ccccc12 ZINC000036177745 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)s1 ZINC000036178547 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)s1 ZINC000036178550 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178553 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1sccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178556 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1cccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)c1 ZINC000036178558 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1cccc(-c2ccc(Oc3ccc(OCC)cc3)c(S(=O)(=O)O)c2)c1 ZINC000036178564 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178567 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccccc1-c1ccc(Oc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178571 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(S(=O)(=O)O)c1 ZINC000036178575 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccccc1-c1ccc(Oc2ccccc2OCC)c(S(=O)(=O)O)c1 ZINC000036178578 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(S(=O)(=O)O)c1 ZINC000036178581 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccccc1-c1ccc(Sc2ccc(OC)cc2)c(S(=O)(=O)O)c1 ZINC000036178584 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178587 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccccc1-c1ccc(Sc2ccc(OCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178590 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178593 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccccc1-c1ccc(Sc2ccc(OCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178598 KK Annotated Mild CCCCCCCCCCC#C[C@H](O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178602 KK Annotated Mild CCCCCCCCCCC#C[C@@H](O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178606 KK Annotated Mild CCCCCCCCCCC#C[C@H](N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178616 KK Annotated Mild CCCCCCCCCCC#C[C@@H](N)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178619 KK Annotated Mild CCCCCCCCCCC#C[C@](C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178622 KK Annotated Mild CCCCCCCCCCC#C[C@@](C)(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1 ZINC000036178625 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 ZINC000036179094 KK Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000036179286 KK Annotated Clean CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000036179290 KK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000036179293 KK Annotated Clean CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000036179296 KK Annotated Clean CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(C)/C=C(C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000036179391 KK Annotated Anodyne CC#Cc1ccc2c(c1)C(=O)N([C@H](C)c1ccc(Cl)cc1N)[C@@H](c1ccc(Cl)cc1)C(=O)N2CCN1CCOCC1 ZINC000036184572 KK Annotated Mild C#Cc1ccc2c(c1)C(=O)N([C@H](C)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O ZINC000036184578 KK Annotated Mild O=C(O)C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000036184586 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CN[C@@H](C)C(C)(C)C)[nH]4)s3)cc(C)c2C)CC1 ZINC000036184846 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cc(CSc3cnc(NC(=O)c4ccc(CN[C@H](C)C(C)(C)C)[nH]4)s3)cc(C)c2C)CC1 ZINC000036184847 KK Annotated Anodyne CCN(CC)CCCCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 ZINC000036185063 KK Annotated Mild CCN(CC)CCCCOc1cccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)c1 ZINC000036185075 KK Annotated Mild CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000036189847 KK Annotated Mild CN(C)C(=O)C[C@@]1(O)CCC[C@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000036189850 KK Annotated Mild CN(C)C(=O)C[C@]1(O)CCC[C@@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000036189853 KK Annotated Mild CN(C)C(=O)C[C@@]1(O)CCC[C@@H](/C=C/[C@H](O)CCCCc2ccc(N=[N+]=[N-])c(I)c2)C1 ZINC000036189856 KK Annotated Mild O=c1cc(-c2ccc(F)cc2)c2cc(Sc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)ccc2o1 ZINC000036222886 KK Annotated Mild CSc1ccc(OC(C)(C)[C@@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242447 KK Annotated Bother CSc1ccc(OC(C)(C)[C@H]2OC[C@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242449 KK Annotated Bother CSc1ccc(OC(C)(C)[C@@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242452 KK Annotated Bother CSc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@H](c3cccnc3)O2)c([N+](=O)[O-])c1 ZINC000036242454 KK Annotated Bother CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000036242783 KK Annotated Anodyne CCc1nnc(/N=C(O)/C(C#N)=C/c2ccc(OCc3ccc(C(F)(F)F)cc3C(F)(F)F)c(OC)c2)s1 ZINC000036243062 KK Annotated Reactive COc1cc(/C=C(C#N)/C(O)=N/c2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000036243064 KK Annotated Reactive COc1cc(/C=C(C#N)/C(O)=N/c2nncs2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000036243069 KK Annotated Reactive COc1cc(/C=C(C#N)/C(O)=N/c2nnc(SC)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000036243071 KK Annotated Reactive COc1cc2c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c(CO)c(CO)cc2cc1OC1CCCC1 ZINC000036243135 KK Annotated Anodyne CC[C@@H](CS[C@@H](CCc1ccccc1C#N)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268374 KK Annotated Mild CC[C@H](CS[C@@H](CCc1ccccc1C#N)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268376 KK Annotated Mild CC[C@@H](CS[C@H](CCc1ccccc1C#N)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268379 KK Annotated Mild O=C(O)CCS[C@@H](CCc1ccccc1-c1nc[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268383 KK Annotated Anodyne O=C(O)CCS[C@H](CCc1ccccc1-c1nc[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268385 KK Annotated Anodyne CC[C@@H](CS[C@@H](CCc1ccccc1C(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268392 KK Annotated Anodyne CC[C@H](CS[C@@H](CCc1ccccc1C(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268394 KK Annotated Anodyne CC[C@@H](CS[C@H](CCc1ccccc1C(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268397 KK Annotated Anodyne CC[C@H](CS[C@H](CCc1ccccc1C(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268398 KK Annotated Anodyne CCOC(=O)Nc1ccccc1CC[C@H](SC[C@H](CC)C(=O)O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268401 KK Annotated Anodyne CCOC(=O)Nc1ccccc1CC[C@H](SC[C@@H](CC)C(=O)O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268403 KK Annotated Anodyne CCOC(=O)Nc1ccccc1CC[C@@H](SC[C@H](CC)C(=O)O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268404 KK Annotated Anodyne CCOC(=O)Nc1ccccc1CC[C@@H](SC[C@@H](CC)C(=O)O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1 ZINC000036268407 KK Annotated Anodyne CC[C@@H](CS[C@@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268409 KK Annotated Anodyne CC[C@H](CS[C@@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268411 KK Annotated Anodyne CC[C@@H](CS[C@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268413 KK Annotated Anodyne CC[C@H](CS[C@H](CCc1ccccc1-c1nnnn1C)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268415 KK Annotated Anodyne CC[C@@H](CS[C@@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268452 KK Annotated Anodyne CC[C@H](CS[C@@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268454 KK Annotated Anodyne CC[C@@H](CS[C@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268456 KK Annotated Anodyne CC[C@H](CS[C@H](CCc1ccccc1-c1nn[nH]n1)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(=O)O ZINC000036268458 KK Annotated Anodyne COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCc1ccccc1 ZINC000036268586 KK Annotated Anodyne COc1cc2c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c(CO)c(CO)cc2cc1OCc1ccccc1 ZINC000036268589 KK Annotated Anodyne [O-][n+]1cccc(C[C@H](c2ccc(OC(F)F)c(OC3CC3)c2)c2cnc(C(O)(C(F)(F)F)C(F)(F)F)s2)c1 ZINC000036268775 KK Annotated Mild O=C(O)C[C@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)no1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000036269231 KK Annotated Anodyne O=C(O)C[C@@H](Cc1cc(OCCc2ccc3c(n2)NCCC3)no1)c1cnc(-c2ccc(Cl)cc2)s1 ZINC000036269235 KK Annotated Anodyne CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000036284539 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1cccc(Cl)c1CCc1cc(Br)ccc1OC ZINC000036284544 KK Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCC1CCCCC1 ZINC000036284552 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(\NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)NC(C)C ZINC000036284581 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(\NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)NC(C)C ZINC000036284586 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(\NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)Nc1ccccc1 ZINC000036284590 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(\NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC)Nc1ccccc1 ZINC000036284597 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(/NC)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC ZINC000036284602 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/NC)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1OC ZINC000036284606 KK Annotated Mild CCN(CC)CCC[C@@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1Cl ZINC000036284655 KK Annotated Mild CCN(CC)CCC[C@H](C)/N=C(/N)NC(=O)c1cccc(F)c1CCc1cc(Br)ccc1Cl ZINC000036284659 KK Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036284675 KK Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000036284679 KK Annotated Mild CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000036286856 KK Annotated Bother CCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O ZINC000036294745 KK Annotated Mild C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cc(I)ccc1N=[N+]=[N-] ZINC000036294799 KK Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](OC)C=C[C@@]31CCN(CCCCCCN1CC[C@@]34C=C[C@H](O)C[C@H]3Oc3c(OC)ccc(c34)C1)C2 ZINC000036294965 KK Annotated Anodyne COC(=O)N(NC(=O)c1c(CN2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 ZINC000036311271 KK Annotated Reactive in-vitro CCCN(Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12)CC(F)(F)C(F)(F)F ZINC000036322218 KK Annotated Mild Fc1cc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2-c2ccc(C(F)(F)F)cc2)cc(F)c1F ZINC000036322368 KK Annotated Mild Fc1cc(F)cc(-c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2-c2ccc(C(F)(F)F)cc2)c1 ZINC000036322372 KK Annotated Mild Fc1cc(-c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2-c2cc(F)c(F)c(F)c2)cc(F)c1F ZINC000036322375 KK Annotated Mild CN(C[C@@H](c1ccc(F)c(F)c1F)N1CCC(N2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036323852 KK Annotated Mild CN(C[C@H](c1ccc(F)c(F)c1F)N1CCC(N2CCCCC2)CC1)C(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036323857 KK Annotated Mild Cn1nnc([C@]2(F)C[C@]3(c4ccccc4)N[C@H]2CC[C@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000036324162 KK Annotated Mild Cn1nnc([C@@]2(F)C[C@]3(c4ccccc4)N[C@H]2CC[C@H]3OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000036324165 KK Annotated Mild C[C@@H](O[C@H]1CCc2n[nH]c(=O)n2C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036324198 KK Annotated Mild CN(C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324249 KK Annotated Anodyne CN(CC[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1)Cc1n[nH]c(O)n1 ZINC000036324321 KK Annotated Anodyne CCN(Cc1nc[nH]n1)[C@@H]1CC[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000036324411 KK Annotated Mild CN(Cc1c[nH]c(O)n1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324435 KK Annotated Anodyne C[C@@H](O[C@H]1CC[C@@H](N(C)C[C@H]2CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000036330258 KK Annotated Mild CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2Cc1c(Cl)cccc1Cl ZINC000036330276 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCC1 ZINC000036330384 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330385 KK Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cc(C)no1 ZINC000036330388 KK Annotated Anodyne CCCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330394 KK Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)Nc1cccnc1 ZINC000036330395 KK Annotated Anodyne CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330397 KK Annotated Anodyne CC(C)(C)CC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000036330402 KK Annotated Anodyne C[C@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(Oc2ccccc2)cc1 ZINC000036330425 KK Annotated Anodyne C[C@@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1ccc(Oc2ccccc2)cc1 ZINC000036330426 KK Annotated Anodyne C[C@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000036330427 KK Annotated Anodyne C[C@@]1(c2cccc3ccccc23)C(=O)N(CCCn2ccnc2)C(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000036330428 KK Annotated Anodyne CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=S)Nc1c(F)cc(F)cc1F ZINC000036331412 KK Annotated Mild N[C@@H](Cn1c(=O)c(-c2cccc(OCC(F)(F)F)c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000036331609 KK Annotated Mild CCOC(=O)c1cn(Cc2ccc(OC)cc2)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331616 KK Annotated Anodyne CCOC(=O)c1cn(Cc2cccc(OC)c2)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331622 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccc(F)cc2)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331624 KK Annotated Anodyne CCOC(=O)c1cn(Cc2ccccc2)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331652 KK Annotated Anodyne CCOC(=O)c1cn(Cc2cccc(F)c2)c2sc(-c3ccc(OC)cc3)c(CN(C)Cc3ccccc3)c2c1=O ZINC000036331658 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 ZINC000036331681 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2ccsc2)CCCC1 ZINC000036331684 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1 ZINC000036331695 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 ZINC000036331698 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 ZINC000036331701 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCCC1 ZINC000036331705 KK Annotated Mild CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccsc2)COC1 ZINC000036331711 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)CCCC[n+]2cccc3ccccc32)CCCC1 ZINC000036331714 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCCC1 ZINC000036331717 KK Annotated Mild CCCCCCCCCCCCCCCCNC(=O)OCC1(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CCCC1 ZINC000036331720 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)N1C(C)=O ZINC000036331725 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000036331727 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000036331735 KK Annotated Mild CC(C)(C)OC(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21 ZINC000036331876 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@@H](C)CC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000036332019 KK Annotated Anodyne CCCOc1c(NC(=O)N(O)[C@@H](C)CC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000036332021 KK Annotated Anodyne O=C(Nc1cccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)c1)c1ccc(F)cc1 ZINC000036338405 KK Annotated Anodyne O=C(Nc1cccc(-c2nc3c(N4C[C@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)c1)c1ccc(F)cc1 ZINC000036338406 KK Annotated Anodyne CN1CCN(Cc2ccc3c(c2)Cc2c-3n[nH]c2-c2ccc(CN(C)C(=O)Nc3cc(F)cc(C(F)(F)F)c3)s2)CC1 ZINC000036338862 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@@H]1c1ccco1 ZINC000036348496 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C[C@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@@H]1c1ccco1 ZINC000036348500 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@@H]1c1ccco1 ZINC000036348505 KK Annotated Anodyne CC(C)(C)OC(=O)[C@H]1C[C@@]2(COCc3ccccc3)C(=O)N(CCCCc3ccccc3)CC(=O)N2[C@@H]1c1ccco1 ZINC000036348509 KK Annotated Anodyne CCCCCCCCCCCCCCCn1nnc([C@H](NC(=O)c2c(C)cccc2C)c2ccccc2)n1 ZINC000036349856 KK Annotated Mild CCCCCCCCCCCCCCCn1nnc([C@@H](NC(=O)c2c(C)cccc2C)c2ccccc2)n1 ZINC000036349859 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](c2ccccc2)N1CCc1ccccc1 ZINC000036350272 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CC)N1CCc1ccccc1 ZINC000036350274 KK Annotated Mild CCCCCCCCCCCCC1=C[C@H](C(=O)O)[C@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCC)[C@H]2[C@H]1C(=O)OC ZINC000036350275 KK Annotated Mild CC(=O)N(C)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000036350448 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@H]2CCN(C3CCC(C)(C)CC3)C2)C1 ZINC000036351485 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)(C)CC3)C2)C1 ZINC000036351486 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@@H](N(C)CCCC3CCCCC3)C2)C1 ZINC000036351591 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCN(C(=O)N2CC[C@H](NCCCc3ccccc3)C2)C1 ZINC000036351605 KK Annotated Anodyne CSc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@H](NCCCc5ccccc5)C4)C3)cc2)cc1 ZINC000036351629 KK Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN(C3CCCC3)CC2)c1 ZINC000036351638 KK Annotated Anodyne COc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN(C3CCCC3)CC2)c1 ZINC000036351639 KK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCN([C@@H]3CCSC3)CC2)c1 ZINC000036351648 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCN([C@H]3CCSC3)CC2)c1 ZINC000036351649 KK Annotated Mild O=C(CN1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351653 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cc(Cl)ccc3Cl)ccc2[C@@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351654 KK Annotated Anodyne O=Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN(C3CCCC3)CC2)c1 ZINC000036351662 KK Annotated Anodyne O=Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H]3C2CCN(C3CCCC3)CC2)c1 ZINC000036351663 KK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)C32CCN(Cc3ccoc3)CC2)c1 ZINC000036351665 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(F)cc(C(F)(F)F)c2)C32CCN(CC3CC3)CC2)c1 ZINC000036351668 KK Annotated Mild O=C(CN1CCc2cc(-c3cccc(F)c3)ccc2[C@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351674 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cccc(F)c3)ccc2[C@@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351675 KK Annotated Anodyne CCc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCCC5CCCCC5)C4)C3)cc2)cc1 ZINC000036351676 KK Annotated Anodyne COc1ccc(-c2ccc(C(=O)N(C)[C@H]3CCN(C(=O)N4CC[C@@H](NCCCC5CCCCC5)C4)C3)cc2)c(C)c1 ZINC000036351687 KK Annotated Anodyne CC1CCC(N(C)[C@@H]2CCN(C(=O)N3CC[C@H](N(C)C(=O)c4ccc(-c5ccc(C(F)(F)F)cc5)cc4)C3)C2)CC1 ZINC000036351693 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cccc(Cl)c3)ccc2[C@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351774 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cccc(Cl)c3)ccc2[C@@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000036351775 KK Annotated Anodyne CC(C)N1CCC([C@@H]2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000036351788 KK Annotated Mild CC(C)N1CCC([C@H]2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000036351789 KK Annotated Mild CN1CCN(CCCN(c2nc3cc(F)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1 ZINC000036351801 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(Cc2nc4cc(Cl)c(F)cc4[nH]2)[C@@H]3C2CCN(CC3CC3)CC2)c1 ZINC000036351836 KK Annotated Mild N#Cc1cccc(-c2ccc3c(c2)CCN(Cc2nc4cc(Cl)c(F)cc4[nH]2)[C@H]3C2CCN(CC3CC3)CC2)c1 ZINC000036351837 KK Annotated Mild CS(=O)(=O)N1CCC(CN(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1 ZINC000036351857 KK Annotated Mild O=C(CCCCCCCCCCCCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc([N+]34CCC(CC3)CC4)ccc2c1 ZINC000036351917 KK Annotated Bother O=C(NCc1ccccc1)[C@@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000036375726 KK Annotated Anodyne O=C(NCc1ccccc1)[C@]1(Cc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000036375979 KK Annotated Anodyne O=C(NCC(F)(F)F)[C@@H]1c2ccccc2C(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(CO)cc1 ZINC000036376088 KK Annotated Anodyne CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(CO)cc1 ZINC000036376179 KK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccc(CO)cc1 ZINC000036376305 KK Annotated Anodyne CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(CO)cc1 ZINC000036376434 KK Annotated Anodyne CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccc(CO)cc1 ZINC000036376450 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCC[C@H](C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000036378317 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCC[C@H](C)C3)c3ccc(N(C)C)cc3)c(OC)cc(OC)c12 ZINC000036378318 KK Annotated Anodyne Cc1ccc(F)c([C@@H]2[C@@H]3C=CC[C@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@@H]3C(=O)N2Cc2ccccc2)c1 ZINC000036378335 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2cccnc2)N[C@H]1c1ccc(Br)cc1 ZINC000036379150 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2ccccn2)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036379161 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CC(C)(C)C2 ZINC000036379186 KK Annotated Mild COc1ccc([C@]23Cc4cc(OC)c(OC)cc4[C@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000036379194 KK Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000036379202 KK Annotated Anodyne O=C1OC2(CCCCC2)CC2=C1[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000036379207 KK Annotated Anodyne CC(C)(C)NS(=O)(=O)c1cccc(-c2nnc(SCc3ccc(C(=O)O)cc3)n2-c2ccccc2)c1 ZINC000036380587 KK Annotated Anodyne COc1ccc2c(c1)Oc1nc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cccc(C(=O)O)c3)c1C2 ZINC000036380865 KK Annotated Anodyne O=S(=O)(c1ccc2c(Cl)cccc2c1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000036381538 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)O[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3c(ccc4ccccc34)[C@@H]2O1 ZINC000036381603 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccs2)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000036381702 KK Annotated Anodyne C=CCC[C@@]1(C(=O)c2ccccc2)C(=O)C(CC=C(C)C)=C(OC)[C@@](CC=C(C)C)(CCC=C(C)C)C1=O ZINC000036381744 KK Annotated Mild C[C@@H]1CC2=CCC[C@@H]2[C@]2(O1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000036381943 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000036381950 KK Annotated Anodyne O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2[C@@]12O[C@H](COc1ccccc1)CC1=C2CCC1 ZINC000036381955 KK Annotated Anodyne CC1=C[C@@H](COCc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000036381964 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000036381989 KK Annotated Anodyne CCCCC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000036382183 KK Annotated Anodyne CCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000036382184 KK Annotated Anodyne COc1ccc([C@@H]2c3c(nc(CCCc4ccccc4)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC ZINC000036382506 KK Annotated Anodyne COc1ccc([C@@H]2c3c(n(CCCc4ccccc4)cnc3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000036382508 KK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccc(-c5ccccc5)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000036382517 KK Annotated Anodyne C=C[C@@H]1c2c(F)cccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(=O)OC)cc2)C1(C#N)C#N ZINC000036382880 KK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(OC(C)=O)cc2)C1(C#N)C#N ZINC000036382904 KK Annotated Mild C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2C(F)(F)F)C1(C#N)C#N ZINC000036382910 KK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(C)(F)F)cc2)C1(C#N)C#N ZINC000036382922 KK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(=O)OC)cc2)C1(C#N)C#N ZINC000036382947 KK Annotated Mild C=C[C@@H]1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(C#N)C#N ZINC000036382951 KK Annotated Mild CC(C)(C)CC(C)(C)N=C1Nc2cc(Cl)c(Cl)cc2N[C@@]12C[C@@H]1CCN3C(=O)CCC[C@H](C2)[C@H]13 ZINC000036383095 KK Annotated Mild COc1ccc([C@@H]2c3c(N)nc(CCCc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000036383187 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C ZINC000036384259 KK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036384312 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036384323 KK Annotated Anodyne COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(Br)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1 ZINC000036387249 KK Annotated Anodyne COc1ccc2c(c1)C(=O)N1[C@H]3c4cc(Br)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000036387256 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N1[C@H]3c4cc(Cl)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000036387259 KK Annotated Anodyne Cc1ccc(CNC(=O)c2cc(-c3ccccc3C)n(C[C@@H]3CC(c4cccc([N+](=O)[O-])c4)=NO3)n2)cc1 ZINC000036387280 KK Annotated Bother Cc1ccc(CNC(=O)c2cc(-c3ccccc3C)n(C[C@H]3CC(c4cccc([N+](=O)[O-])c4)=NO3)n2)cc1 ZINC000036387281 KK Annotated Bother Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccccc2)cc1 ZINC000036387299 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036387314 KK Annotated Anodyne CCOc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387322 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc4c(c3)OCO4)CC=C(C(=O)O)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387323 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)O)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036387325 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000036387339 KK Annotated Anodyne O=C(O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000036387347 KK Annotated Anodyne CCOc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000036387350 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000036387355 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000036387925 KK Annotated Anodyne COc1ccc(-c2c([C@@H]3[C@@H]4C=CC[C@H](C)[C@H]4C(=O)N3Cc3ccccc3)ccc3ccccc23)cc1OC ZINC000036387927 KK Annotated Anodyne C=C[C@@H]1c2c(F)cccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(OC(C)=O)cc2)C1(C#N)C#N ZINC000036388242 KK Annotated Mild COc1cc([C@H](CCN2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(C)cc(=O)oc23)cc(OC)c1OC ZINC000036388429 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036388474 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388489 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000036388517 KK Annotated Anodyne CCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000036388563 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388574 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(CC3CCCCC3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388578 KK Annotated Anodyne COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4ccc(OC)c(OC)c4)cc23)cc(OC)c1 ZINC000036388645 KK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc5c(c4)OCCO5)ccc3n2C)c1 ZINC000036388948 KK Annotated Mild C[C@]1(NC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CCN(CCCc2ccccc2)C1=O ZINC000036389160 KK Annotated Anodyne C[C@@]1(NC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CCN(CCCc2ccccc2)C1=O ZINC000036389161 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C)cc1 ZINC000036389390 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(F)cc1 ZINC000036389393 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036389395 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccc(F)cc1 ZINC000036389398 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(Cl)cc1 ZINC000036389399 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(OC)c1 ZINC000036389403 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000036389406 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(F)c1 ZINC000036389408 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccc(F)cc1 ZINC000036389409 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(F)c1 ZINC000036389414 KK Annotated Anodyne COc1c(C2([C@@H]3CC(=O)O[C@H]3O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)SCCCS2)ccc2c1OCO2 ZINC000036414730 KK Annotated Anodyne CNCC(=O)Nc1c(C(=O)C(C)(C)C)oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12 ZINC000036414773 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000036414884 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](C)C1=C2CC[C@@H]3[C@](C)(CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1=O)[C@H]1OC1(C)C ZINC000036414886 KK Annotated Anodyne COc1cc(-c2cc(OC)c3c(c2O)C/C(C)=C/CC/C(C)=C/C3)c(O)c2c1C/C=C(\C)CC/C=C(\C)C2 ZINC000036414933 KK Annotated Anodyne in-man COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNC5CCCC5)CC4)cc2)CC3)cc1 ZINC000036415213 KK Annotated Anodyne C/C1=C/CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C\CC1 ZINC000036415274 KK Annotated Reactive Cc1c2c(c(O)c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3CC(C)C)C(=O)C[C@@H](c1ccccc1)O2 ZINC000036436170 KK Annotated Mild C=C(C(C)C)[C@H](O)[C@H](OC(C)=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 ZINC000036436433 KK Annotated Mild C=C(C(C)C)[C@@H](O)[C@@H](OC(C)=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 ZINC000036436436 KK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@H]4C)[C@@]3(C)[C@@H](OC(=O)C[C@H](C)O)C[C@H]21 ZINC000036446934 KK Annotated Anodyne CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)Cc2ccc(C(F)(F)F)cc2)c1)C(=O)O ZINC000036757774 KK Annotated Mild CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000036774658 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000036774659 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000036774660 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000036774661 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000036774662 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000036774663 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000036774664 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](O)C[C@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000036774665 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1-c1ccccc1O ZINC000037246100 KK Annotated Anodyne CCOc1ccc2ccccc2c1-c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)OC(C)(C)C ZINC000037246101 KK Annotated Anodyne CCNC(=O)c1cc2c(-c3cc(OCCN4CCC(F)(F)CC4)c(Cl)cc3Cl)nc(N)nc2s1 ZINC000037246103 KK Annotated Anodyne CCN(CC)CCOc1cc(-c2nc(N)nc3sc(C(=O)NCC(F)(F)F)cc23)c(Cl)cc1Cl ZINC000037246118 KK Annotated Anodyne COc1ccc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C4)C2=O)cc1O ZINC000037858166 KK Annotated Mild CC1=C(CCCCCC(=O)NCCCNCCCNC(=O)CCCCCC2=C(C)C(=O)c3cccc(O)c3C2=O)C(=O)c2c(O)cccc2C1=O ZINC000037858541 KK Annotated Mild CN1CCN(CCC(=O)Nc2ccccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000037858550 KK Annotated Anodyne CCCCCCCCCCCCCCCCC1=C[C@H](C(=O)O)[C@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@H]1C(=O)OC ZINC000037858735 KK Annotated Mild O=C(O)Cc1ccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000037866932 KK Annotated Anodyne O=C(O)Cc1cccc(-c2noc(-c3ccccc3Cl)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 ZINC000037866939 KK Annotated Anodyne Cc1ccccc1-c1onc(-c2cccc(CC(=O)O)c2)c1C(=O)NCCOc1ccc(Cl)cc1Cl ZINC000037866940 KK Annotated Anodyne O=C(O)Cc1cccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c1 ZINC000037866941 KK Annotated Anodyne O=S(=O)(Nc1ccc(Sc2nc3cc(Cl)ccc3s2)c(Cl)c1)c1ccc(C(F)(F)F)cc1Cl ZINC000037868313 KK Annotated Anodyne COc1ccc2nc3ccc4ccn(CCN5CCC(CCC6CCN(CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377364988 KK Annotated Bother C1=CN2Cc3ccc4c(c3)Cc3cc(ccc3-4)CN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377364993 KK Annotated Anodyne COc1ccc2nc3ccc4ccn(CCN5CCC(CCCC6CCN(CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377365000 KK Annotated Bother c1ccc2c(c1)nc1ccc3ccn(CCN4CCC(C5CCN(CCn6ccc7ccc8nc9ccccc9c8c7c6)CC5)CC4)cc3c12 ZINC000377386480 KK Annotated Bother CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)[C@H](C)N=C(N1)N23 ZINC000377391274 KK Annotated Mild CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3C(C(=O)OCc4ccc(COC(=O)C5=C(C)N=C6N[C@@H](CCCCCCCCC)C[C@H]7CC[C@@H]5N67)cc4)=C(C)N=C(N1)N32 ZINC000377391280 KK Annotated Mild CCN1C(=O)/C(=C2\Sc3ccc4ccccc4c3N2C)[S+]=C1/C=C1/Oc2c(ccc3ccccc23)N1CC ZINC000377397178 KK Annotated Mild CCN1C(=O)/C(=C2\Sc3ccc4ccccc4c3N2C)[S+]=C1/C=C1\Oc2c(ccc3ccccc23)N1CC ZINC000377397179 KK Annotated Mild COc1ccc2nc3c(C)c4ccn(CC(=O)N(CCCCCN)CCOc5ccc(/C(=C(/Cl)c6ccccc6)c6ccccc6)cc5)cc4c(C)c3c2c1 ZINC000377407361 KK Annotated Bother N=c1cc(-c2ccccc2)ccn1CCCCCCCCCCCCn1cc(-c2ccccc2)ccc1=N ZINC000377438947 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@@H](C(=O)OC/C=C/c5ccccc5)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377474303 KK Annotated Anodyne C1=CN2CCCCCCCCCCN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377482984 KK Annotated Anodyne Nc1ccc2c(=NCc3ccccc3)ccn(CCCCCCCCCC[n+]3ccc(NCc4ccccc4)c4ccc(N)cc43)c2c1 ZINC000377529185 KK Annotated Anodyne C1=CN2CCCCCCCCN3C=CC(=NCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377551731 KK Annotated Anodyne Oc1c2cccc1CN1C=CC(=NCc3ccc(cc3)CN=C3C=CN(C2)c2ccccc23)c2ccccc21 ZINC000377567241 KK Annotated Clean C1=CN2Cc3ccc(cc3)Cc3ccc(cc3)CN3C=CC(=NCc4ccc(cc4)Cc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377567244 KK Annotated Anodyne C1=CN2Cc3ccc(cc3)/C=C\c3ccc(cc3)CN3C=CC(=NCc4ccc(cc4)Cc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377567254 KK Annotated Anodyne C1=CN2Cc3ccc(cc3)-c3ccc(cc3)CN3C=CC(=NCc4ccc(cc4)Cc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377567323 KK Annotated Anodyne CN1C=CC(=C2C3=NC(=C(c4ccc(C(=O)NCCBr)cc4)C4=NC(=C(c5cc[n+](C)cc5)c5ccc([nH]5)C(c5cccc(C(=O)NCCBr)c5)=C5C=CC2=N5)C=C4)C=C3)C=C1 ZINC000377576679 KK Annotated Reactive C1=CN2Cc3ccc4c(c3)Cc3cc(ccc3-4)CN3C=CC(=NCc4ccc(cc4)-c4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377578547 KK Annotated Anodyne CN1C=CC(=C2C3=NC(=C(c4cccc(C(N)=O)c4)C4=NC(=C(c5cc[n+](C)cc5)c5ccc([nH]5)C(c5cccc(C(N)=O)c5)=C5C=CC2=N5)C=C4)C=C3)C=C1 ZINC000377578548 KK Annotated Clean COc1ccc2nc3c(C)c4ccn(CC(=O)NCCCCCNCCOc5ccc(/C(=C(/Cl)c6ccccc6)c6ccccc6)cc5)cc4c(C)c3c2c1 ZINC000377634154 KK Annotated Bother O=C(CCCC[n+]1ccccc1)Sc1ccccc1C(=O)N=C1C=CC(=[S@](=O)(O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)C=C1 ZINC000377634159 KK Annotated Mild Cc1c2n(Cc3ccc(CCc4ccc(Cn5ccc(N(C)c6ccccc6)c6ccc(=N)c(C)c5-6)cc4)cc3)ccc(N(C)c3ccccc3)c-2ccc1=N ZINC000377790972 KK Annotated Anodyne Ic1ccc2c(c1)N(c1ccccc1)c1cc(N=c3ccc4nc5ccc(I)cc5n(-c5ccccc5)c-4c3)ccc1N2 ZINC000377794994 KK Annotated Bother C1=CC(=C2C=CN(CCCc3cnc4ccccc4ncc(CCC[n+]4ccc(-c5ccncc5)cc4)cnc4ccccc4nc3)C=C2)C=CN1 ZINC000377799784 KK Annotated Bother CCn1c2nc3ccc(OC)cc3c-2c(C)c2c(=NCCCNCCCN=c3[nH]ccc4c3c(C)c3c5cc(OC)ccc5[nH]c3[n+]4CC)[nH]ccc21 ZINC000377799877 KK Annotated Bother CCCCCCN1/C(=C/C2=C(O)C(=c3ccc(=c4ccc(=c5ccc(=c6c(=O)c(=Cc7sc8ccccc8[n+]7CCCCCC)c6=O)s5)s4)s3)C2=O)Sc2ccccc21 ZINC000377801664 KK Annotated Mild CCCCCCN1/C(=C\C2=C(O)C(=c3ccc(=c4ccc(=c5ccc(=c6c(=O)c(=Cc7sc8ccccc8[n+]7CCCCCC)c6=O)s5)s4)s3)C2=O)Sc2ccccc21 ZINC000377801665 KK Annotated Mild C1=CN2Cc3ccc(cc3)/C=C\c3ccc(cc3)CN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377803477 KK Annotated Anodyne COc1ccc2nc3c(C(=O)O)cc4ccn(CCN5CCC(C6CCN(CC[n+]7ccc8cc(C(=O)O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377803805 KK Annotated Bother CCN1C(=O)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)[S+]=C1/C=C1\Oc2c(ccc3ccccc23)N1CC ZINC000377805963 KK Annotated Mild CCN1C(=O)/C(=C/C=C2/N(C)c3ccccc3C2(C)C)[S+]=C1/C=C1/Oc2c(ccc3ccccc23)N1CC ZINC000377805964 KK Annotated Mild COc1ccc2nc3ccc4ccn(CCCCCCCCCCn5ccc6ccc7nc8ccc(OC)cc8c7c6c5)cc4c3c2c1 ZINC000377805971 KK Annotated Bother CCN1C(=O)/C(=C/C=C2\SC3=C(CCc4ccccc43)N2C)[S+]=C1/C=C1/Oc2ccc3ccccc3c2N1CC ZINC000377805973 KK Annotated Mild CCN1C(=O)/C(=C/C=C2\SC3=C(CCc4ccccc43)N2C)[S+]=C1/C=C1\Oc2ccc3ccccc3c2N1CC ZINC000377805974 KK Annotated Mild Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1cccc(OCCCCCCCOc2cccc(-c3c4cc(N)ccc4c4ccc(=N)cc-4n3C)c2)c1 ZINC000377805975 KK Annotated Bother COc1ccc2nc3ccc4ccn(CCN5CCC(CC6CCN(CCn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377805978 KK Annotated Bother Oc1ccc2nc3ccc4ccn(CCN5CCC(C6CCN(CCn7ccc8ccc9nc%10ccc(O)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377806020 KK Annotated Bother N=c1cc2c(nn1CCCCCCCCCCCCn1nc3c(cc1=N)-c1ccccc1CC3)CCc1ccccc1-2 ZINC000377806531 KK Annotated Anodyne C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@@H]2c4c6c8c%10c(c4-%17)[C@@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@@]%104C=9[C@@H]8[C@@H]7C5=C6[C@]23C1 ZINC000377806638 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@@H]2c4c6c8c%10c(c4-%17)[C@@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@@]%104C=9[C@@H]8[C@@H]7C5=C6[C@@]23C1 ZINC000377806639 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@@H]2c4c6c8c%10c(c4-%17)[C@@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@@]%104C=9[C@@H]8[C@H]7C5=C6[C@@]23C1 ZINC000377806640 KK Annotated Bother C[N+]1(C)C[C@]23c4c5c6c7c8c9c%10c%11c%12c%13c%14c%15c%16c%17c%18c%19c%20c(c2c2c4c4c6c6c8c%10c8c%12c%10c%14c(c%15%19)c%12c%20c2c2c4c6c8c%10c%122)[C@@H]%18[C@@H]2c4c6c8c%10c(c4-%17)[C@@H]%16[C@@H]%13[C@@]%114C[N+](C)(C)C[C@@]%104C=9[C@@H]8[C@H]7C5=C6[C@]23C1 ZINC000377806641 KK Annotated Bother CN1C=CC(=C2C3=NC(=C(c4cccc(C(=O)O)c4)C4=NC(=C(c5cc[n+](C)cc5)c5ccc([nH]5)C(c5cccc(C(=O)O)c5)=C5C=CC2=N5)C=C4)C=C3)C=C1 ZINC000377807264 KK Annotated Clean Cc1c2ccn(CCN3CCC(C4CCN(CCn5ccc6c(C)c7nc8ccc(O)cc8c7c(C)c6c5)CC4)CC3)cc2c(C)c2c1nc1ccc(O)cc12 ZINC000377807468 KK Annotated Bother C1=CN2Cc3ccc(cc3)-c3cccc(n3)-c3ccc(cc3)CN3C=CC(=NCc4ccc(cc4)Cc4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377807775 KK Annotated Anodyne CN1C=CC(=C2C3=NC(=C(c4cc[n+](C)cc4)C4=NC(=C(c5cccc(C(N)=O)c5)C5=NC(=C(c6cc[n+](C)cc6)c6ccc2[nH]6)C=C5)C=C4)C=C3)C=C1 ZINC000377808480 KK Annotated Clean C1=CN2Cc3ccc(cc3)-c3ccc(cc3)CN3C=CC(=NCc4ccc(cc4)-c4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377808483 KK Annotated Anodyne COc1ccc2nc3c(C(=O)NCC(=O)O)cc4ccn(CCN5CCC(C6CCN(CC[n+]7ccc8cc(C(=O)NCC(=O)O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377810341 KK Annotated Bother N=c1ccn(Cc2ccc(CCCc3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000377810345 KK Annotated Anodyne CN1C=CC(=C2C3=NC(=C(c4cc[n+](C)cc4)C4=NC(=C(c5cccc(C(=O)O)c5)C5=NC(=C(c6cc[n+](C)cc6)c6ccc2[nH]6)C=C5)C=C4)C=C3)C=C1 ZINC000377810347 KK Annotated Clean COc1c2cccc1CN1C=CC(=NCc3ccc(cc3)CN=C3C=CN(C2)c2ccccc23)c2ccccc21 ZINC000377811154 KK Annotated Anodyne Clc1ccc2nc3cn(Cc4ccc(Cn5ccc6c7cc(Cl)ccc7nc-6c5)cc4)ccc-3c2c1 ZINC000377812076 KK Annotated Anodyne CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/CC/C(C)=C/C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000377812856 KK Annotated Anodyne CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/CC/C(C)=C/C(N)=O)[C@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](C/C=C/c3coc(C)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000377812857 KK Annotated Anodyne Clc1ccc2nc3cn(CCCCCCCCCCn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377813286 KK Annotated Anodyne Cn1cccc2ccc(=NC(=O)c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)N=c7ccc8cccn(C)c-8c7)cc6)cc5)cc4)cc3)cc1-2 ZINC000377813722 KK Annotated Anodyne CCCn1ccccc1=Nc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(Nc4cccc[n+]4CCC)cc3)cc2)cc1 ZINC000377813738 KK Annotated Anodyne CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@@H](CC)CCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000377814229 KK Annotated Anodyne Clc1ccc2nc3cn(Cc4cccc(Cn5ccc6c7cc(Cl)ccc7nc-6c5)c4)ccc-3c2c1 ZINC000377815100 KK Annotated Anodyne Cc1c2n(Cc3ccc(CCc4ccc(Cn5ccc(N(C)c6ccc(Cl)cc6)c6ccc(=N)c(C)c5-6)cc4)cc3)ccc(N(C)c3ccc(Cl)cc3)c-2ccc1=N ZINC000377815257 KK Annotated Anodyne Cc1c2n(Cc3ccc(-c4ccc(Cn5ccc(N(C)c6ccc(Cl)cc6)c6ccc(=N)c(C)c5-6)cc4)cc3)ccc(N(C)c3ccc(Cl)cc3)c-2ccc1=N ZINC000377815270 KK Annotated Anodyne Clc1ccc2nc3cn(CCCCCCCCn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377815820 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377815830 KK Annotated Anodyne CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3C(C(=O)OCCCCCCCCOC(=O)C4=C(C)N=C5N[C@@H](CCCCCCCCC)C[C@H]6CC[C@@H]4N56)=C(C)N=C(N1)N32 ZINC000377815832 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)O[C@@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)N=C(N4)N56)=C(C)N=C(N1)N23 ZINC000377815855 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)[C@@H](C)N=C(N1)N23 ZINC000377815857 KK Annotated Mild CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000377815950 KK Annotated Anodyne CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@@H](CC)CCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=N2)N43)O1 ZINC000377815999 KK Annotated Anodyne CCCCCCCCCC1=C(C(=O)OCc2ccc(COC(=O)C3=C(CCCCCCCCC)NC4=N[C@@H](CCCCCCC)C[C@H]5CC[C@@H]3N45)cc2)[C@@H]2CC[C@@H]3C[C@H](CCCCCCC)N=C(N1)N23 ZINC000377819659 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCNC(=N)N)C(CCCCC)=NC(=N1)N32 ZINC000377819826 KK Annotated Mild CCCn1ccc(=Nc2ccc(NC(=O)/C=C/c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CCC)cc5)cc4)cc3)cc2)cc1 ZINC000377819858 KK Annotated Anodyne CCCN1C=CC(=c2ccc(=c3ccc(=C4C=CC(=NC(=O)c5ccc(C(=O)N=C6C=CC(=c7ccc(=c8ccc(=C9C=CN(CCC)C=C9)cc8)cc7)C=C6)cc5)C=C4)cc3)cc2)C=C1 ZINC000377819862 KK Annotated Mild Clc1ccc2nc3cn(CCCCCCCCCCCCn4ccc5c6cc(Cl)ccc6nc-5c4)ccc-3c2c1 ZINC000377819863 KK Annotated Anodyne Cn1c2ccccc2c(=Nc2ccc(NS(=O)(=O)c3ccc(Nc4cc[n+](C)cc4)cc3)cc2)c2ccc(N)cc21 ZINC000377819864 KK Annotated Bother c1ccc2c3ccn(CCCCCCCCCCCCn4ccc5c6ccccc6nc-5c4)cc-3nc2c1 ZINC000377819873 KK Annotated Anodyne Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1cccc(OCCCCCCCCCCOc2cccc(-c3c4cc(N)ccc4c4ccc(=N)cc-4n3C)c2)c1 ZINC000377819877 KK Annotated Bother Cc1c2n(Cc3ccc(-c4ccc(Cn5ccc(N(C)c6ccccc6)c6ccc(=N)c(C)c5-6)cc4)cc3)ccc(N(C)c3ccccc3)c-2ccc1=N ZINC000377819878 KK Annotated Anodyne COc1ccc2nc3ccc4ccn(C[C@H](O)CN5CCC(C6CCN(C[C@@H](O)Cn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819880 KK Annotated Bother COc1ccc2nc3ccc4ccn(C[C@@H](O)CN5CCC(C6CCN(C[C@@H](O)Cn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819881 KK Annotated Bother COc1ccc2nc3ccc4ccn(C[C@@H](O)CN5CCC(C6CCN(C[C@H](O)Cn7ccc8ccc9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819882 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C/C=5)C7)[C@@H]%10[C@@H]4[C@]31C[N+](C)(C)C[C@@]%12%151 ZINC000377819885 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C/C=5)C7)[C@@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@@]%12%151 ZINC000377819886 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C/C=5)C7)[C@@H]%10[C@@H]4[C@]31C[N+](C)(C)C[C@]%12%151 ZINC000377819887 KK Annotated Bother C[C@@H]1[C@@H]2c3cc4/c5c6c7c8c9c%10c6c4c4c3C3=C6c%11c%12c%13c%14c%15c(c9c9c%16c8c(c8/c(c%17c%18c%19c(c(c%11c%11c%19c%19c%17c8c%16c(c%149)c%19c%13%11)[C@@H]62)[C@@H]1C%181C[N+](C)(C)C1)=C\C/C=5)C7)[C@@H]%10[C@@H]4[C@@]31C[N+](C)(C)C[C@]%12%151 ZINC000377819888 KK Annotated Bother Cn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1cccc(OCCOCCOc2cccc(-c3c4cc(N)ccc4c4ccc(=N)cc-4n3C)c2)c1 ZINC000377819892 KK Annotated Bother CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)C[n+]1ccn(c1)CC1=CC(=[N+]([O-])O)C=C(Cn2cc[n+](c2)Cc2ccc(cc2)C3=O)C1=O ZINC000377819911 KK Annotated Mild CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2ccccc21 ZINC000377819944 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OC/C=C/c5ccccc5)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377819946 KK Annotated Anodyne COc1ccc2[nH]c3cc(Cl)ccc3c(=NCCN3CCC(C4CCN(CCn5ccc6ccc7nc8ccc(OC)cc8c7c6c5)CC4)CC3)c2c1 ZINC000377819947 KK Annotated Bother CO[C@]12C=C(c3c4nc5ccccc5c-4ccn3C)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000377819949 KK Annotated Clean CO[C@]12C=C(c3c4nc5ccccc5c-4ccn3C)[C@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000377819950 KK Annotated Clean Cn1ccc(=Nc2ccc(NC(=O)/C=C/c3ccc(N=c4ccn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377819958 KK Annotated Anodyne COc1ccc2nc3c(CN)cc4ccn(CCN5CCC(C6CCN(CCn7ccc8cc(CN)c9nc%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000377819959 KK Annotated Bother CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)C[n+]1cn(c2ccccc21)CC1=CC(=[N+]([O-])O)C=C(Cn2c[n+](c4ccccc42)Cc2ccc(cc2)C3=O)C1=O ZINC000377819961 KK Annotated Mild COc1cc(Cn2c(C)cc(=NCCCCCCCCCCN=c3cc(C)[nH]c4ccccc34)c3ccccc32)cc(OC)c1 ZINC000377819967 KK Annotated Anodyne CCCn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377819973 KK Annotated Anodyne Oc1ccc2nc3ccc4cn(CCN5CCC(C6CCN(CCn7ccc8c(ccc9nc%10ccc(O)cc%10c98)c7)CC6)CC5)ccc4c3c2c1 ZINC000377819978 KK Annotated Bother Cn1c2ccccc2c(=Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](C)cc4)cc3)cc2)c2ccc(N)cc21 ZINC000377819999 KK Annotated Bother CCCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CCC)cc4)cc3)c(N)c2)c2ccccc21 ZINC000377820000 KK Annotated Anodyne CCCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C(C(=O)O[C@H](C)CCCCC[C@H]3C[C@H]4CC[C@H]5C[C@@H](C)N=C(N3)N54)=C(C)NC(=N)N12 ZINC000377820004 KK Annotated Mild C1=CN2Cc3ccc(cc3)Cc3ccc(cc3)CN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377820358 KK Annotated Anodyne Clc1ccc2nc3cn(Cc4ccc(-c5ccc(Cn6ccc7c8cc(Cl)ccc8nc-7c6)cc5)cc4)ccc-3c2c1 ZINC000377820814 KK Annotated Anodyne Cc1c2n(Cc3cccc(-c4cccc(Cn5ccc(N(C)c6ccc(Cl)cc6)c6ccc(=N)c(C)c5-6)c4)c3)ccc(N(C)c3ccc(Cl)cc3)c-2ccc1=N ZINC000377820816 KK Annotated Anodyne Cn1ccc2c3ccccc3nc-2c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000377820937 KK Annotated Clean Cn1ccc2c3ccccc3nc-2c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000377820938 KK Annotated Clean C1=CN2CCCCCCCCCCN3C=CC(=NCc4ccc(cc4)-c4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377825237 KK Annotated Anodyne C1=CN2Cc3ccc(cc3)-c3ccc(cc3)CN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377825242 KK Annotated Anodyne N=c1ccn(Cc2ccc(-c3ccc(-c4ccc(Cn5ccc(=N)c6ccccc65)cc4)cc3)cc2)c2ccccc12 ZINC000377825246 KK Annotated Anodyne c1ccc(N=c2ccn(CCCCCCCCCCn3ccc(=Nc4ccccc4)c4ccccc43)c3ccccc23)cc1 ZINC000377825258 KK Annotated Anodyne C/C=C1/Cn2ccc3c4ccccc4nc-3c2C[C@@H]1C1=CN2c3ccccc3[C@]34CCN5C/C(=C/C)[C@H](C[C@H]53)[C@@H]([C@@H]1O)[C@H]24 ZINC000377827770 KK Annotated Anodyne Oc1c2cc(I)cc1CN1C=CC(=NCc3ccc(cc3)CN=C3C=CN(C2)c2ccccc23)c2ccccc21 ZINC000377829948 KK Annotated Clean CC(=O)Nc1cccc(C2=C3C=CC(=N3)C(c3cc[n+](C)cc3)=C3C=CC(=N3)C(=C3C=CN(C)C=C3)c3ccc([nH]3)C(c3cc[n+](C)cc3)=C3C=CC2=N3)c1 ZINC000377829989 KK Annotated Clean N#CN/C(N=c1ccn(COC(=O)OCCCCCCCCCN)cc1)=N/CCCCCCOc1ccc(Cl)cc1 ZINC000377833738 KK Annotated Mild N=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(=N)c5ccccc54)cc3)cc2)c2ccccc12 ZINC000377833755 KK Annotated Anodyne C=C(O)CNC(=O)c1cc2cc[n+](CCN3CCC(C4CCN(CCn5ccc6cc(C(=O)NCC(=O)O)c7nc8ccc(OC)cc8c7c6c5)CC4)CC3)cc2c2c1[nH]c1ccc(OC)cc12 ZINC000377836375 KK Annotated Mild Cc1c2c(C)c3c(C)c1CN1C=CC(=NCc4cc(cc(c4)CN=C4C=CN(C=C4)C3)CN=C3C=CN(C=C3)C2)C=C1 ZINC000377838550 KK Annotated Anodyne C1=CN2Cc3ccc(cc3)CCc3ccc(cc3)CN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377838554 KK Annotated Anodyne C1=CN2Cc3ccc(cc3)Cc3ccc(cc3)CN3C=CC(=NCc4ccc(cc4)-c4ccc(cc4)CN=C1c1ccccc12)c1ccccc13 ZINC000377840041 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(C)=O)C[C@H](CCNC(C)=O)OC(C)=O)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377840569 KK Annotated Anodyne C1=CN2Cc3cccc(c3)-c3cccc(c3)CN3C=CC(=NCCCCCCCCCCN=C1c1ccccc12)c1ccccc13 ZINC000377841297 KK Annotated Anodyne CCc1c(C)c2cc3nc(cc4[nH]c(c5c(=O)n(OC)c(=O)c6c-5nc(cc1n2)C=6C)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3=C/C=C1/C=Cc2ccccc2N1C ZINC000377841310 KK Annotated Bother CCc1c(C)c2cc3nc(cc4[nH]c(c5c(=O)n(OC)c(=O)c6c-5nc(cc1n2)C=6C)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3=C/C=C1\C=Cc2ccccc2N1C ZINC000377841311 KK Annotated Bother O=C1C(=Cc2ccc(Cl)c(Cl)c2)C(=O)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)C1=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000377841326 KK Annotated Unstable CN1c2ccccc2C(=C(O)Nc2ccc(S(=O)(=O)/N=C3/C=CN=[N+]3c3ccccc3)cc2)c2ccccc21 ZINC000377841338 KK Annotated Mild CN1c2ccccc2C(=C(O)Nc2ccc(S(=O)(=O)/N=C3\C=CN=[N+]3c3ccccc3)cc2)c2ccccc21 ZINC000377841342 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(C)=O)C[C@H](CCNC(C)=O)OC(C)=O)[C@@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000377841456 KK Annotated Anodyne Cc1cc(=NCc2ccccc2)c2ccccc2n1CCCCCCCCCCn1c(C)cc(=NCc2ccccc2)c2ccccc21 ZINC000377843329 KK Annotated Anodyne Oc1c2cc(I)cc1CN=C1C=CN(CCCCCN3C=CC(=NC2)c2ccccc23)c2ccccc21 ZINC000377845667 KK Annotated Clean Clc1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(Cl)cc13 ZINC000377845674 KK Annotated Anodyne FC1(F)CN=C2C=CN(CCCCCN3C=CC(=NCC(F)(F)C1(F)F)c1ccccc13)c1ccccc12 ZINC000377845834 KK Annotated Anodyne CN1C=CC(=c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(=C3C=CC(=NC(=O)c4cnc5ccccc5n4)C=C3)c3ccc2[nH]3)C=C1 ZINC000377845838 KK Annotated Mild O=[N+]([O-])c1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc([N+](=O)[O-])cc13 ZINC000377846050 KK Annotated Bother COc1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(OC)cc13 ZINC000377846051 KK Annotated Anodyne Fc1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(F)cc13 ZINC000377846417 KK Annotated Anodyne FC(F)(F)Oc1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(OC(F)(F)F)cc13 ZINC000377846418 KK Annotated Anodyne FC(F)(F)c1ccc2c(c1)N1C=CC2=NCc2ccc(cc2)CN=C2C=CN(Cc3cccc(c3)C1)c1cc(C(F)(F)F)ccc12 ZINC000377846422 KK Annotated Anodyne Cc1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(C)cc13 ZINC000377846425 KK Annotated Anodyne CCCCCCCCCCCCCCCCN=C1C=CC(=C(O)NS(=O)(=O)c2ccc(C)cc2)C=C1 ZINC000377847125 KK Annotated Mild Clc1cc(Cl)c2c(c1)N1C=CC2=NCc2ccc(cc2)CN=C2C=CN(Cc3cccc(c3)C1)c1cc(Cl)cc(Cl)c12 ZINC000377848798 KK Annotated Anodyne Clc1cc(Cl)c2c(c1)N1C=CC2=NCCCCCN=C2C=CN(CCCCC1)c1cc(Cl)cc(Cl)c12 ZINC000377848801 KK Annotated Anodyne Clc1ccc2c(c1)N1C=CC2=NCc2ccc(cc2)CN=C2C=CN(Cc3cccc(c3)C1)c1cc(Cl)ccc12 ZINC000377848803 KK Annotated Anodyne FC(F)(F)c1ccc2c(c1)C1=NCCCCCN=C3C=CN(CCCCCN2C=C1)c1ccc(C(F)(F)F)cc13 ZINC000377848805 KK Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc([N+](=O)[O-])cc13 ZINC000377848806 KK Annotated Bother CN1C=CC(=c2ccc(=c3ccc(=C4C=CC(=NC(=O)c5ccc(C(=O)N=C6C=CC(=c7ccc(=c8ccc(=C9C=CN(C)C=C9)cc8)cc7)C=C6)cc5)C=C4)cc3)cc2)C=C1 ZINC000377848831 KK Annotated Mild CCN1C=CC(=c2ccc(=c3ccc(=C4C=CC(=NC(=O)c5ccc(C(=O)N=C6C=CC(=c7ccc(=c8ccc(=C9C=CN(CC)C=C9)cc8)cc7)C=C6)cc5)C=C4)cc3)cc2)C=C1 ZINC000377848832 KK Annotated Mild CCn1ccccc1=NC(=O)c1ccc(NC(=O)c2ccc(C(=O)N=C3C=CC(=C(O)Nc4cccc[n+]4CC)C=C3)cc2)cc1 ZINC000377848833 KK Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)CCCCCC(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)cc2)cc1 ZINC000377848834 KK Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](C)cc5)cc4)cc3)cc2)cc1 ZINC000377848835 KK Annotated Anodyne CCn1ccc(=Nc2ccc(NC(=O)CCCCCCC(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)cc2)cc1 ZINC000377848837 KK Annotated Anodyne CCCN1C=CC=CC1=C1C=CC(=NC(=O)c2ccc(C(=O)N=C3C=CC(=C4C=CC=CN4CCC)C=C3)cc2)C=C1 ZINC000377848838 KK Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)CCCCCCC(=O)Nc3ccc(Nc4cc[n+](C)cc4)cc3)cc2)cc1 ZINC000377848839 KK Annotated Anodyne CCn1ccc(=Nc2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)cc4)cc3)cc2)cc1 ZINC000377848840 KK Annotated Anodyne CCCn1ccccc1=NC(=O)c1ccc(NC(=O)c2ccc(C(=O)N=C3C=CC(=C(O)Nc4cccc[n+]4CCC)C=C3)cc2)cc1 ZINC000377848841 KK Annotated Mild CCn1ccc(=Nc2ccc(NC(=O)c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)c(N)c4)cc3)cc2N)cc1 ZINC000377848843 KK Annotated Anodyne CCCCn1cccc2ccc(=NC(=O)Cc3ccc(CC(=O)Nc4ccc5c(ccc[n+]5CCCC)c4)cc3)cc1-2 ZINC000377848844 KK Annotated Anodyne CCn1ccc(=Nc2ccc(NC(=O)CCCCCC(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)cc2)cc1 ZINC000377848845 KK Annotated Anodyne CCn1cccc2ccc(=NC(O)=C3C=CC(=NC(=O)c4ccc(C(=O)Nc5ccc6ccc[n+](CC)c6c5)cc4)C=C3)cc1-2 ZINC000377848847 KK Annotated Mild CN1C=CC(=c2ccc(=c3ccc(=C4C=CC(=NN=Nc5ccc(C(=O)N=C6C=CC(=c7ccc(=c8ccc(=C9C=CN(C)C=C9)cc8)cc7)C=C6)cc5)C=C4)cc3)cc2)C=C1 ZINC000377848849 KK Annotated Mild CCN1C=CC=CC1=C1C=CC(=NC(=O)c2ccc(C(=O)N=C3C=CC(=C4C=CC=CN4CC)C=C3)cc2)C=C1 ZINC000377848850 KK Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](C)cc5)cc4)cc3)cc2)cc1 ZINC000377848856 KK Annotated Anodyne CCn1cccc2ccc(=NC(=O)c3ccc(-c4ccc(-c5ccc(-c6ccc(C(=O)N=c7ccc8cccn(CC)c-8c7)cc6)cc5)cc4)cc3)cc1-2 ZINC000377848858 KK Annotated Anodyne Cn1cccc2ccc(=NC(O)=C3C=CC(=NC(=O)c4ccc(C(=O)Nc5ccc6ccc[n+](C)c6c5)cc4)C=C3)cc1-2 ZINC000377848860 KK Annotated Mild CCn1ccc(=Nc2ccc(NC(=O)/C=C/c3ccc(/C=C/C(=O)Nc4ccc(Nc5cc[n+](CC)cc5)cc4)cc3)cc2)cc1 ZINC000377848861 KK Annotated Anodyne CCCn1ccc(=Nc2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](CCC)cc5)cc4)cc3)cc2)cc1 ZINC000377848862 KK Annotated Anodyne Cc1nccn1CC1=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C2/C=C(C[n+]3cc[nH]c3C)C=C(C(C)(C)C)C2=O)C(=O)C(C(C)(C)C)=C1 ZINC000377848863 KK Annotated Mild CCCn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccccc45)cc3)cc2N)cc1 ZINC000377848904 KK Annotated Anodyne CCCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CCC)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377848905 KK Annotated Anodyne CCn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(CC)c5ccccc45)cc3)cc2N)cc1 ZINC000377848910 KK Annotated Anodyne Cn1ccc(=Nc2ccc(NC(=O)c3ccc(C(=O)N=C4C=CC(=C(O)Nc5ccc[n+](C)c5)C=C4)cc3)cc2)c2cc(N)ccc21 ZINC000377848913 KK Annotated Mild CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377848915 KK Annotated Anodyne CCn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(CC)c5ccc(N)cc45)cc3)cc2N)cc1 ZINC000377848916 KK Annotated Anodyne CCCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CCC)cc4)c(N)c3)c(N)c2)c2ccccc21 ZINC000377848918 KK Annotated Anodyne CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(N=c4ccn(CC)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377848922 KK Annotated Anodyne CCCn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4ccn(CCC)c5ccc(N)cc45)cc3)cc2N)cc1 ZINC000377848924 KK Annotated Anodyne CCn1ccc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)c(N)c3)c(N)c2)c2ccccc21 ZINC000377848925 KK Annotated Anodyne CCCN1C=CC(=C2C=CC(=NC(=O)c3ccc(N=c4ccn(CCC)c5ccccc45)cc3)C=C2)C=C1 ZINC000377848929 KK Annotated Mild Cn1ccc(=Nc2ccc(NC(=O)c3ccc(N=c4c(-c5ccccc5)cn(C)c5ccc(N)cc45)cc3)cc2)cc1 ZINC000377848937 KK Annotated Anodyne CCn1c(C)cc(=Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2cc(N)ccc21 ZINC000377848938 KK Annotated Anodyne CC(=O)Nc1ccc2c(=Nc3ccc(NC(=O)c4ccc(Nc5cc[n+](C)cc5)cc4)cc3)ccn(C)c2c1 ZINC000377848939 KK Annotated Anodyne CCn1ccc(Nc2ccc(C(=O)Nc3ccc(Nc4cc[n+](CC)cc4)cc3)c(N)c2)c2ccc(=N)cc1-2 ZINC000377848946 KK Annotated Anodyne COc1cc(CN(c2ccccc2)c2ccccc2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848955 KK Annotated Anodyne COc1cc(CN(Cc2ccccc2)Cc2ccccc2)c2cc3n(cc-2c1=O)CCc1cc2c(cc1-3)OCO2 ZINC000377848956 KK Annotated Anodyne Nc1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(N)cc13 ZINC000377853461 KK Annotated Anodyne COc1ccc2c(c1)N1C=CC2=NCc2ccc(cc2)CN=C2C=CN(Cc3cccc(c3)C1)c1cc(OC)ccc12 ZINC000377853464 KK Annotated Anodyne FC(F)(F)c1ccc2c(c1)N1C=CC2=NCCCCCN=C2C=CN(CCCCC1)c1cc(C(F)(F)F)ccc12 ZINC000377853466 KK Annotated Anodyne FC(F)(F)c1ccc2c(c1)C1=NCc3ccc(cc3)CN=C3C=CN(Cc4cccc(c4)CN2C=C1)c1ccc(C(F)(F)F)cc13 ZINC000377853468 KK Annotated Anodyne O=C(O)c1ccc(N[N+](=O)c2ccccc2Sc2ccccc2C(=O)O)cc1Sc1ccccc1O ZINC000377853476 KK Annotated Anodyne CCCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C(C(=O)O[C@@H](C)CCCCC[C@@H]3C[C@@H]4CC[C@@H]5C[C@H](C)N=C(N3)N45)=C(C)NC(=N)N12 ZINC000377860907 KK Annotated Mild CO[C@H]1C[C@@]2(O[C@H](C/C=C/c3coc(C)n3)[C@H]1C)O[C@H]([C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/CC/C(C)=C/C(N)=O)OC)[C@H](OP(=O)(O)O)C2(C)C ZINC000377871777 KK Annotated Anodyne COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)[C@@H](C)CC/C=C\C(N)=O)co2)co1 ZINC000377871784 KK Annotated Mild COC(=O)c1nc(-c2nc([C@H](OC)[C@H](C)C(=O)/C=C/C[C@H](O)CC(=O)O[C@H](C[C@H](OC)[C@H](C)CCC(=O)[C@H](C)[C@H](C/C=C/N(C)C=O)OC)[C@H](C)CC/C=C\C(N)=O)co2)co1 ZINC000377871785 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1cccc(F)c1 ZINC000038139172 KK Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2c1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000038139867 KK Annotated Anodyne O=C(c1ccccc1)N(C(=O)c1ccccc1)c1ncnc2c1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2 ZINC000038139868 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/Cc2cc(OC)c(OC)c(OC)c2)N[C@H]1CCc1ccccc1 ZINC000038139870 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(Br)cc1 ZINC000038139871 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(Br)cc1 ZINC000038139872 KK Annotated Anodyne COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@](CCCCN2C(=O)c4ccccc4C2=O)(Cc2cc(OC)c(OC)cc21)O3 ZINC000038139879 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(-c3ccccc3)c(=O)c21 ZINC000038139881 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000038139882 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccccc21 ZINC000038139883 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000038139885 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000038139887 KK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000038139888 KK Annotated Anodyne N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccc(F)cc34)[C@H]2O1 ZINC000038139889 KK Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)OC3=C(C(=O)OC4(CCCCC4)C3)[C@H]2O1 ZINC000038139890 KK Annotated Mild Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000038139892 KK Annotated Mild N#Cc1ccc2c(c1)C[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3cc(-c4ccccc4)oc(=O)c3[C@H]2O1 ZINC000038139893 KK Annotated Mild COc1ccc2c3c(c(=O)oc2c1)[C@H]1O[C@](CCCCN2C(=O)c4ccccc4C2=O)(Cc2c1ccc1ccccc21)O3 ZINC000038139894 KK Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@H]1O[C@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000038139895 KK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)N[C@@H](C)C(=O)OC(C)C)CC3)c(C)c1 ZINC000038139896 KK Annotated Anodyne C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000038139914 KK Annotated Mild COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000038139921 KK Annotated Mild COc1cccc([C@H]2Oc3ccc(OC)cc3/C(=N\O[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@@H]2O)c1 ZINC000038139939 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)CCCCCBr)CC1 ZINC000038140354 KK Annotated Reactive CCCCCCCNC(=O)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)CCCCCBr)CC1 ZINC000038140355 KK Annotated Reactive CCCCCCCNC(=O)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)C2(C)CC2)CC1 ZINC000038140360 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)C2(C)CC2)CC1 ZINC000038140361 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)C2CCCC2)CC1 ZINC000038140362 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)C2CCCC2)CC1 ZINC000038140363 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)C2CCCC2)CC1 ZINC000038140364 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)C2CCCC2)CC1 ZINC000038140365 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)CCCCCBr)CC1 ZINC000038140370 KK Annotated Reactive CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)CCCCCBr)CC1 ZINC000038140371 KK Annotated Reactive CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000038140372 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000038140373 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)C2(C)CC2)CC1 ZINC000038140374 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)C2(C)CC2)CC1 ZINC000038140375 KK Annotated Mild O=C(CCCCCBr)N1CCC(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038140376 KK Annotated Reactive O=C(CCCCCBr)N1CCC(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038140377 KK Annotated Reactive COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NC1Cc2ccccc2C1 ZINC000038140381 KK Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccccc4Cl)c2C3=O)cc1OC ZINC000038140382 KK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000038140386 KK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000038140387 KK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000038140388 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 ZINC000038140390 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000038140391 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000038140392 KK Annotated Anodyne COc1ccc([C@@H]2C=CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140526 KK Annotated Anodyne aggregator COc1ccc([C@H]2C=CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140528 KK Annotated Anodyne aggregator COc1ccc([C@@H]2C=CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1 ZINC000038140530 KK Annotated Anodyne aggregator COc1ccc([C@H]2C=CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2F)cc1 ZINC000038140532 KK Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccc(Br)cc1 ZINC000038140535 KK Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1 ZINC000038140536 KK Annotated Anodyne aggregator Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000038140538 KK Annotated Anodyne aggregator Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000038140539 KK Annotated Bother aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccccc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1 ZINC000038140543 KK Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1 ZINC000038140544 KK Annotated Anodyne aggregator COc1ccc([C@@H]2C=CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140545 KK Annotated Anodyne aggregator COc1ccc([C@@H]2/C=C/CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140546 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140547 KK Annotated Anodyne aggregator COc1ccc([C@H]2/C=C/CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2cccc(F)c2)cc1 ZINC000038140548 KK Annotated Anodyne O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1 ZINC000038140549 KK Annotated Anodyne aggregator COc1ccccc1[C@@H]1C(c2cccc(C)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000038140550 KK Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C(c2cccc(Cl)c2)=NN1c1ccc(Br)cc1 ZINC000038140551 KK Annotated Bother aggregator Cc1ccc(CN2C(=O)C[C@@H](NS(=O)(=O)c3ccc4ccccc4c3)C/C=C/[C@H]2c2ccc(C)cc2)cc1 ZINC000038140558 KK Annotated Anodyne COc1cc([C@@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000038140559 KK Annotated Anodyne COc1cc([C@H](CCN2CCOCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000038140560 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000038140568 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000038140569 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@@]21C ZINC000038140570 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@@]21C ZINC000038140571 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c2OC(=O)C[C@@H]3c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000038141607 KK Annotated Anodyne COc1cc([C@H](CCN2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000038141634 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000038141644 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4cccc(-c5ccc(N(C)C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000038141645 KK Annotated Anodyne O=C1[C@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000038141648 KK Annotated Anodyne O=C1[C@H]2[C@@H](c3cccc(/C=C/c4ccccc4)c3)CC=C[C@@H]2[C@@H](c2ccc(C(F)(F)F)cc2)N1Cc1ccccc1 ZINC000038141650 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@@H](c4cccc(-c5ccc(C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000038141653 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C=CC[C@H](c4cccc(-c5ccc(C)cc5)c4)[C@H]3C(=O)N2Cc2ccccc2)cc1Cl ZINC000038141654 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)c3ccc(C)cc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141658 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3ccc4ccccc4c3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141659 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3ccc4ccccc4c3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141660 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141661 KK Annotated Anodyne CCCCCCC(=O)N1C/C=C/[C@@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000038141662 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141669 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141670 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)Oc3ccc(C(F)(F)F)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141676 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)Oc3ccc(C(F)(F)F)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141677 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(C(=O)Nc3ccccc3-c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141678 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)Nc3ccccc3-c3ccccc3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000038141679 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000038141714 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000038141715 KK Annotated Anodyne COc1ccc([C@@H]2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000038142024 KK Annotated Anodyne COc1ccc([C@H]2Nc3cccc(O)c3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000038142025 KK Annotated Anodyne CN(C)c1ccc([C@H](I)[C@H](I)c2ccnc3ccccc23)cc1 ZINC000038142126 KK Annotated Reactive CN(C)c1ccc([C@@H](I)[C@H](I)c2ccnc3ccccc23)cc1 ZINC000038142127 KK Annotated Reactive CN(C)c1ccc([C@H](I)[C@@H](I)c2ccnc3ccccc23)cc1 ZINC000038142128 KK Annotated Reactive CN(C)c1ccc([C@@H](I)[C@@H](I)c2ccnc3ccccc23)cc1 ZINC000038142129 KK Annotated Reactive O=C1c2ccccc2C(=O)N1CCCC[C@]12Cc3c(ccc4ccccc34)[C@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 ZINC000038142223 KK Annotated Anodyne C#Cc1ccccc1C[C@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000038142235 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2ccc(O)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000038142242 KK Annotated Mild C=CCC[C@@]1(C(=O)c2ccccc2)C(=O)C(CC=C(C)C)=C(OC)[C@](CC=C(C)C)(CCC=C(C)C)C1=O ZINC000038142246 KK Annotated Mild C=CCC[C@]1(C(=O)c2ccccc2)C(=O)C(CC=C(C)C)=C(OC)[C@@](CC=C(C)C)(CCC=C(C)C)C1=O ZINC000038142247 KK Annotated Mild C=CCC[C@]1(C(=O)c2ccccc2)C(=O)C(CC=C(C)C)=C(OC)[C@](CC=C(C)C)(CCC=C(C)C)C1=O ZINC000038142248 KK Annotated Mild C[C@@H]1/C=C/CC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)/C=C/CC(=O)N[C@@H]1c1cccc(Br)c1 ZINC000038142275 KK Annotated Anodyne C[C@@H]1/C=C/CC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)/C=C/CC(=O)N[C@@H]1c1ccc2ccccc2c1 ZINC000038142276 KK Annotated Anodyne C[C@H]1/C=C/CC(=O)N[C@@H](c2ccc3ccccc3c2)[C@@H](C)/C=C/CC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000038142277 KK Annotated Anodyne C[C@@H]1CC2=CCC[C@H]2[C@]2(O1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000038142345 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@H]32)c2c(Br)cccc21 ZINC000038142346 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000038142347 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000038142348 KK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(CC(C)=CC[C@@H](COc4ccccc4)O3)c3c(Br)cccc32)cc1 ZINC000038142349 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000038142350 KK Annotated Anodyne O=C1N(Cc2ccc(Br)cc2)c2cccc(Br)c2[C@@]12O[C@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000038142364 KK Annotated Anodyne COc1ccc([C@H]2c3c(ncn(CCCc4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000038142449 KK Annotated Anodyne COc1ccc([C@H]2c3c(nc(CCCc4ccccc4)[nH]c3=O)Oc3ccc4ccccc4c32)cc1OC ZINC000038142902 KK Annotated Anodyne COc1ccc([C@H]2c3c(n(CCCc4ccccc4)cnc3=N)Oc3ccc4ccccc4c32)cc1OC ZINC000038142904 KK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4ccccc4-c4ccccc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142912 KK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccc(-c5ccccc5)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142913 KK Annotated Anodyne COc1cccc([C@H]2c3c(ncn(-c4cccc(Br)c4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142915 KK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccc(Br)cc4)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142920 KK Annotated Anodyne COc1cccc([C@@H]2c3c(ncn(-c4ccccc4Br)c3=N)Oc3ccc4ccccc4c32)c1 ZINC000038142926 KK Annotated Anodyne CCOC(=O)c1ccc(-n2cnc3c(c2=N)[C@@H](c2cccc(OC)c2)c2c(ccc4ccccc24)O3)cc1 ZINC000038142934 KK Annotated Anodyne Cc1cc(/C=C/c2cccc3sc(C)[n+](CCCCI)c23)ccc1N(CCCl)CCCl ZINC000038142959 KK Annotated Reactive CCCCCCCCCCCCN1C/C(=C\C(=O)OCC)c2cc(C(F)(F)F)ccc2S1(=O)=O ZINC000038143024 KK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)[C@]1(C#N)S(=O)(=O)c1ccccc1 ZINC000038143025 KK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)[C@@]1(C#N)S(=O)(=O)c1ccccc1 ZINC000038143026 KK Annotated Mild C=C[C@@H]1c2cc(C)ccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2C(F)(F)F)C1(C#N)C#N ZINC000038143039 KK Annotated Mild CC(C)CC(=O)N1C/C=C\C[C@@H](c2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000038143058 KK Annotated Anodyne COc1ccc([C@H]2c3c(N)nc(CCCc4ccccc4)nc3Oc3ccc4ccccc4c32)cc1OC ZINC000038143091 KK Annotated Anodyne O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCCN(CCCl)CCCl)ccc(NCCCN(CCCl)CCCl)c21 ZINC000038143213 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCCN(CCCl)CCCl)ccc(NCCCN(CCCl)CCCl)c21 ZINC000038143215 KK Annotated Reactive CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(C(F)(F)F)cc3)c2)C1=O ZINC000038143374 KK Annotated Anodyne CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc(F)c(Cl)c3)c2)C1=O ZINC000038143377 KK Annotated Anodyne CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccccc3Cl)c2)C1=O ZINC000038143381 KK Annotated Anodyne CC[C@H](C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4[C@H](C)[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000038143613 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@]2(C)C(=O)[C@@H](OC(C)=O)[C@H]2[C@H](C)C(=O)C=C[C@@]23C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000038143620 KK Annotated Anodyne [N-]=[N+]=Nc1ccccc1C[C@]1(C(=O)NCCN2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-] ZINC000038143899 KK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-] ZINC000038143903 KK Annotated Mild COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000038143905 KK Annotated Clean COC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-] ZINC000038143910 KK Annotated Mild COC(=O)[C@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000038143943 KK Annotated Mild O=C1N(Cc2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12CCS(=O)(=O)c1ccccc1 ZINC000038143954 KK Annotated Anodyne COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000038143957 KK Annotated Mild O=C1N(Cc2ccccc2)Cc2ccccc2C[C@]12N=C(c1ccc(OCCCO)cc1)O[C@@H]2c1ccccc1 ZINC000038143958 KK Annotated Anodyne O=C1N(Cc2ccccc2)Cc2ccccc2C[C@@]12N=C(c1ccc(OCCCO)cc1)O[C@H]2c1ccccc1 ZINC000038143959 KK Annotated Anodyne COCCCNC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038143990 KK Annotated Mild COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000038143993 KK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-] ZINC000038144008 KK Annotated Mild COC(=O)[C@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1CN=[N+]=[N-] ZINC000038144011 KK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2CN=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1CN=[N+]=[N-] ZINC000038144023 KK Annotated Clean COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-] ZINC000038144036 KK Annotated Mild [N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144069 KK Annotated Mild [N-]=[N+]=Nc1ccccc1C[C@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144077 KK Annotated Mild [N-]=[N+]=NCc1ccccc1C[C@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144079 KK Annotated Clean [N-]=[N+]=NCc1ccccc1C[C@@]1(C(=O)N2CCCCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144088 KK Annotated Clean O=C(c1ccccc1)N1Cc2ccccc2C[C@@]2(N=C(c3ccc(OCCCO)cc3)O[C@H]2c2ccccc2)C1=O ZINC000038144103 KK Annotated Anodyne O=C(c1ccccc1)N1Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]2(Cc2ccccc2)C1=O ZINC000038144104 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@]12N=C(c3ccc(OCCCO)cc3)O[C@H]1c1ccccc1CN(Cc1ccccc1)C2=O ZINC000038144107 KK Annotated Anodyne [N-]=[N+]=NCc1ccccc1C[C@@]1(C(=O)NCc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144109 KK Annotated Clean CC(C)(C)OC(=O)CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(C(=O)c1ccccc1)C2=O ZINC000038144126 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@@]12N=C(c3ccc(OCCCO)cc3)O[C@@H]1c1ccccc1CN(Cc1ccccc1)C2=O ZINC000038144137 KK Annotated Anodyne O=C1N(Cc2ccccc2)Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]12Cc1ccccc1 ZINC000038144138 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@]12N=C(c3ccc(OCCCO)cc3)O[C@H]1c1ccccc1CN(C(=O)c1ccccc1)C2=O ZINC000038144140 KK Annotated Anodyne O=C(c1ccccc1)N1Cc2ccccc2C[C@]2(N=C(c3ccc(OCCCO)cc3)O[C@@H]2c2ccccc2)C1=O ZINC000038144141 KK Annotated Anodyne CN(C)C(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1N=[N+]=[N-] ZINC000038144145 KK Annotated Mild O=C(c1ccccc1)N1Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]2(Cc2ccccc2)C1=O ZINC000038144155 KK Annotated Anodyne [N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)NCc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1 ZINC000038144158 KK Annotated Mild [N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)NCCN2CCOCC2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000038144162 KK Annotated Mild COCCCNC(=O)[C@@]1(Cc2ccccc2N=[N+]=[N-])N=C(c2ccc(OCCCO)cc2)O[C@H]1c1ccccc1 ZINC000038144166 KK Annotated Mild O=C1N(Cc2ccccc2)Cc2ccccc2[C@@H]2OC(c3ccc(OCCCO)cc3)=N[C@]12Cc1ccccc1 ZINC000038144170 KK Annotated Anodyne O=C1N(Cc2ccccc2)Cc2ccccc2[C@H]2OC(c3ccc(OCCCO)cc3)=N[C@@]12CCS(=O)(=O)c1ccccc1 ZINC000038144171 KK Annotated Anodyne [N-]=[N+]=Nc1ccccc1C[C@@]1(C(=O)NCc2ccccc2)N=C(c2ccc(OCCCO)cc2)O[C@@H]1c1ccccc1N=[N+]=[N-] ZINC000038144183 KK Annotated Mild CC(C)CNC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(CO)cc1 ZINC000038144191 KK Annotated Bother COc1ccccc1CN1C(=O)c2ccccc2[C@@]2(Cc3ccccc3N(C(C)C)C2=O)[C@@H]1c1ccc(CO)cc1 ZINC000038144193 KK Annotated Anodyne C[C@]1(C(=O)NC2CC2)c2ccccc2C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(CO)cc1 ZINC000038144218 KK Annotated Anodyne CC(C)NC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(CO)cc1 ZINC000038144219 KK Annotated Anodyne COCCCNC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(CO)cc1 ZINC000038144221 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(CO)cc1 ZINC000038144231 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(CO)cc2)cc1 ZINC000038144282 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Cc3ccccc3N(CCN3CCOCC3)C2=O)[C@H](c2ccc(CO)cc2)N1Cc1ccccc1Cl ZINC000038144291 KK Annotated Anodyne O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)O)[C@H](c2ccc(CO)cc2)N1C1CCCCC1 ZINC000038144297 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccc(CO)cc1 ZINC000038144307 KK Annotated Anodyne COc1ccc(CCN2C(=O)[C@@]3(Cc4ccccc42)c2ccccc2C(=O)N(C2CCCCC2)[C@H]3c2ccc(CO)cc2)cc1 ZINC000038144311 KK Annotated Anodyne Cc1ccc(S[C@]2(C(=O)NC3CC3)CC(=O)N(C3CCCCC3)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000038144321 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]2c1ccc(CO)cc1 ZINC000038144324 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(CO)cc1 ZINC000038144327 KK Annotated Anodyne CN(C)CCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccc(CO)cc1 ZINC000038144333 KK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1Cl)[C@H]2c1ccc(CO)cc1 ZINC000038144336 KK Annotated Anodyne CC(C)CN1C(=O)[C@@]2(c3ccc([N+](=O)[O-])cc3)CC(=O)N(CC3C4CC5CC(C4)CC3C5)[C@@H]2c2ccc(CO)cc21 ZINC000038144337 KK Annotated Bother CCCNC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C2CCCCC2)[C@@H]1c1ccc(CO)cc1I ZINC000038144341 KK Annotated Anodyne COCCCNC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(CO)cc1 ZINC000038144343 KK Annotated Anodyne CN(C)CCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]2c1ccc(CO)cc1 ZINC000038144346 KK Annotated Anodyne CN(C)CCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1Cl)[C@H]2c1ccc(CO)cc1 ZINC000038144348 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Cc3ccccc3N(Cc3ccccc3)C2=O)[C@H](c2ccc(CO)cc2)N1C1CCCCC1 ZINC000038144350 KK Annotated Anodyne Cc1ccc(S[C@]2(C(=O)NC(C)C)CC(=O)N(C3CCCCC3)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000038144352 KK Annotated Anodyne CC(C)NC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(CO)cc1 ZINC000038144353 KK Annotated Bother CC(C)CNC(=O)[C@@]1(C)c2ccccc2C(=O)N(Cc2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(CO)cc1 ZINC000038144354 KK Annotated Anodyne CC(C)N1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1Cl)[C@H]2c1ccc(CO)cc1 ZINC000038144362 KK Annotated Anodyne COc1ccccc1CN1C(=O)c2ccccc2[C@@]2(Cc3ccccc3N(CCCN(C)C)C2=O)[C@@H]1c1ccc(CO)cc1 ZINC000038144368 KK Annotated Anodyne CN(C)CCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(CO)cc1 ZINC000038144379 KK Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(Cl)c(Cl)c3)cc1)N[C@@]2(Cc1ccccc1)C(=O)OC ZINC000038144575 KK Annotated Anodyne CCCCCCCCCCCCCCCC=C1CCC(OCCO[P@@](=O)(O)OCC[N+]2(C)CCOCC2)CC1 ZINC000038144764 KK Annotated Mild CCCCCCCCCCCCCCCC=C1CCC(OCCO[P@@](=O)(O)OCC[N+]2(C)CCCCC2)CC1 ZINC000038144765 KK Annotated Mild C[C@@]12C(=O)N(Cc3ccc(-c4ccccc4)cc3)CC(=O)N1[C@H](/C=C/c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000038145423 KK Annotated Anodyne c1ccc(SCc2cn(C[C@H]3CC[C@@H]([C@@H]4CC[C@H](Cn5cc(CSc6ccccc6)nn5)O4)O3)nn2)cc1 ZINC000038145431 KK Annotated Anodyne C[C@@]12C(=O)Nc3cc(Cl)ccc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000038145741 KK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(Br)cc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000038145743 KK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(Br)cc3C(=O)N1[C@H]1c3cc(Cl)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000038145745 KK Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000038145749 KK Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000038145750 KK Annotated Bother Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccccc2F)cc1 ZINC000038145751 KK Annotated Anodyne COc1cc([C@@H]2CC=C(C(=O)O)[C@H](c3ccccc3F)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145753 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000038145755 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000038145757 KK Annotated Anodyne COc1cc([C@@H]2CC=C(C(=O)O)[C@H](c3cccc(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145759 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000038145761 KK Annotated Anodyne COc1cc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(F)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145763 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000038145765 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000038145766 KK Annotated Anodyne COc1cc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Cl)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000038145767 KK Annotated Anodyne C[C@]1(C(=O)NCCCNc2ncc(C(F)(F)F)cc2Cl)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1 ZINC000038145812 KK Annotated Anodyne C[C@]1(C(=O)NCCCNc2ncc(C(F)(F)F)cc2Cl)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000038145813 KK Annotated Anodyne C[C@@]1(C(=O)NCCCNc2ncc(C(F)(F)F)cc2Cl)C=CC2(CCCCC2)N1C(=O)c1ccccc1 ZINC000038145814 KK Annotated Anodyne C[C@@H]1C=C[C@](Cc2ccccc2)(C(=O)NCCCNc2ncc(C(F)(F)F)cc2Cl)N1C(=O)c1ccccc1 ZINC000038145816 KK Annotated Anodyne CC(C)c1cccc(C(C)C)c1OC(=O)[C@H]1OC(c2ccc(Br)cc2)=C[C@@H]1c1ccc(Br)cc1 ZINC000038146051 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000038146060 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000038146061 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000038146062 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000038146063 KK Annotated Anodyne COC(=O)C1=C(c2ccc(-c3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc2ccccc12 ZINC000038146064 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000038146065 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OC(F)(F)F)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000038146066 KK Annotated Anodyne COc1cc(C2c3c(c(C)c(C)oc3=O)Oc3c(C)c(C)oc(=O)c32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000038146125 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(Br)cc1 ZINC000038146127 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1Br ZINC000038146128 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1C(F)(F)F ZINC000038146130 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000038146131 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000038146133 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146134 KK Annotated Clean COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000038146140 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(Br)cc1 ZINC000038146142 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146143 KK Annotated Clean COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000038146146 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000038146147 KK Annotated Anodyne COC(=O)C1=C(c2ccccc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccc(OC)cc1 ZINC000038146148 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(Br)cc1 ZINC000038146154 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146155 KK Annotated Clean COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000038146158 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1Cl ZINC000038146159 KK Annotated Anodyne COC(=O)C1=C(c2cccc(OCc3ccccc3)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc2[nH]ccc2c1 ZINC000038146162 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(OC)cc1 ZINC000038146165 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cccc(OC)c1 ZINC000038146166 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(Cl)cc1 ZINC000038146168 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc2[nH]ccc2c1 ZINC000038146169 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccc(F)cc1 ZINC000038146171 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCc1ccccc1 ZINC000038146172 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(N(C)C)cc1 ZINC000038146174 KK Annotated Clean NC(=O)C[C@H](NC(=O)c1cccc(Br)c1)c1ccc(NC2CCCCCCCCCCC2)c([N+](=O)[O-])c1 ZINC000038146257 KK Annotated Bother NC(=O)C[C@@H](NC(=O)c1cccc(Br)c1)c1ccc(NC2CCCCCCCCCCC2)c([N+](=O)[O-])c1 ZINC000038146258 KK Annotated Bother NC(=O)C[C@@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000038146259 KK Annotated Clean NC(=O)C[C@H](NC(=O)Cc1cccc2ccccc12)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000038146260 KK Annotated Clean COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000038146287 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000038146288 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000038146289 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000038146291 KK Annotated Mild CCN1/C(=C/C=c2\s/c(=C/c3sc4ccc5ccccc5c4[n+]3CC)n(CC)c2=O)Sc2ccc3ccccc3c21 ZINC000038146311 KK Annotated Anodyne CCN1/C(=C/C=C(Cl)\C=C\c2sc3ccc4ccccc4c3[n+]2CC)Sc2ccc3ccccc3c21 ZINC000038146314 KK Annotated Anodyne CCN1/C(=C/C=c2\s/c(=C/c3sc4ccccc4[n+]3CC)n(-c3ccccc3)c2=O)Sc2ccccc21 ZINC000038146318 KK Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccc4ccccc4c3N2C)s/c1=C/c1oc2c3ccccc3ccc2[n+]1CC ZINC000038146362 KK Annotated Anodyne CCn1c(=O)/c(=C/C=C2/N(C)c3ccccc3C2(C)C)s/c1=C/c1oc2c3ccccc3ccc2[n+]1CC ZINC000038146384 KK Annotated Anodyne CCn1c(=O)/c(=C/C=C2\SC3=C(CCc4ccccc43)N2C)s/c1=C/c1oc2ccc3ccccc3c2[n+]1CC ZINC000038146390 KK Annotated Anodyne CCn1c(=O)/c(=C2\Sc3ccc4ccccc4c3N2C)s/c1=C/c1sc2c3ccccc3ccc2[n+]1CC ZINC000038146407 KK Annotated Anodyne CCN1/C(=C/C=c2\s/c(=C/C3=[N+](CC)[C@@H]4C=Cc5ccccc5[C@@H]4S3)n(CC)c2=O)Sc2ccc3ccccc3c21 ZINC000038146422 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@@H](CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000038146583 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@@H](CCN3CCC[C@H](C)C3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000038146585 KK Annotated Anodyne CCCCCc1cc(=O)oc2c([C@H](CCN3CCC[C@H](C)C3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12 ZINC000038146587 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(NCCc3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1Cl ZINC000038146596 KK Annotated Anodyne Cc1ccc(CNc2cc(N3CCN(c4nc(-c5ccccc5Br)cs4)CC3)c(Cl)cc2[N+](=O)[O-])cc1 ZINC000038146598 KK Annotated Bother CCCn1c([C@@H](C)Nc2nc(-c3cc(Cl)c(N)c(Cl)c3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000038146600 KK Annotated Anodyne CCCn1c([C@H](C)Nc2nc(-c3cc(Cl)c(N)c(Cl)c3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000038146602 KK Annotated Anodyne OCCCn1c(CCCNc2nc(-c3cccc(Br)c3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000038146604 KK Annotated Anodyne CCCn1c([C@@H]2CCCN2c2nc(-c3cccc(Br)c3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000038146606 KK Annotated Anodyne CCCn1c([C@H]2CCCN2c2nc(-c3cccc(Br)c3)cs2)nc2cc(Cl)c(Cl)cc21 ZINC000038146608 KK Annotated Anodyne O=[N+]([O-])c1cc(Cl)c(N2CCN(c3nc(-c4ccccc4Br)cs3)CC2)cc1NCCN1CCCCC1 ZINC000038146610 KK Annotated Bother C[C@H](Nc1nc(-c2cccc(Br)c2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO ZINC000038146612 KK Annotated Anodyne C[C@@H](Nc1nc(-c2cccc(Br)c2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO ZINC000038146614 KK Annotated Anodyne CCCn1c([C@@H](C)Nc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000038146616 KK Annotated Bother CCCn1c([C@H](C)Nc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000038146618 KK Annotated Bother Nc1c(Cl)cc(-c2csc(N3CCC[C@@H]3c3nc4cc(Cl)c(Cl)cc4n3CCOCCO)n2)cc1Cl ZINC000038146620 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4n3CCOCCO)n2)cc1Cl ZINC000038146622 KK Annotated Anodyne COc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(-c4ccncc4)n5CCOCCO)CC3)n2)cc1 ZINC000038146672 KK Annotated Anodyne O=S(=O)(c1ccccc1)[C@@]1(c2ccc(Br)cc2)C[C@@H]2ON=C(c3cccc(Br)c3)[C@@H]2C1 ZINC000038146679 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3scnc3C(C)C)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146815 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(CO)s3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038146821 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N(C)C ZINC000038146824 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCOCC1 ZINC000038146827 KK Annotated Mild CC(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000038146836 KK Annotated Mild CC(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000038146838 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccc(C#N)cc1 ZINC000038146840 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccc(C#N)cc1 ZINC000038146842 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1cccnc1 ZINC000038146844 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1cccnc1 ZINC000038146846 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccccn1 ZINC000038146868 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccccn1 ZINC000038146871 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccncc1 ZINC000038146873 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccncc1 ZINC000038146875 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccccc1 ZINC000038146879 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1ccccc1 ZINC000038146881 KK Annotated Mild CC(=O)Nc1nc(CC[C@]2(C(C)C)CC(=O)C(Sc3cc(C)c(CO)cc3C(C)(C)C)=C(O)O2)cs1 ZINC000038147252 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3csc(C(C)C)n3)(C(C)C)CC2=O)c(C(C)(C)C)cc1CO ZINC000038147255 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN[C@H]5C2)CCN1C ZINC000038147449 KK Annotated Anodyne CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NC1CCCCC1 ZINC000038148174 KK Annotated Mild O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2ccc(Br)cc2Br)cc1NN1CCCCC1 ZINC000038148308 KK Annotated Bother C[C@@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H](C(=O)CN3CCN(c4cc(N5CCCC5)nc(N5CCCC5)n4)CC3)CC[C@H]12 ZINC000038148344 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000038148347 KK Annotated Anodyne N#C/N=C1\N(CCCCCCCOc2ccc(Cl)cc2)C(=O)[C@@H](c2ccccc2)N1c1ccncc1 ZINC000038148515 KK Annotated Mild N#C/N=C1\N(CCCCCCCOc2ccc(Cl)cc2)C(=O)[C@H](c2ccccc2)N1c1ccncc1 ZINC000038148516 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1C/C=C/CCCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000038148656 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C\CCCCCC[C@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000038148658 KK Annotated Anodyne C[C@H]1C/C=C\CCCCCCCCOC(=O)N(C[C@H](O)[C@@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000038148663 KK Annotated Anodyne C[C@H]1C/C=C/CCCCCCCCCOC(=O)N1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000038148667 KK Annotated Anodyne CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000038149117 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)cc1 ZINC000038149121 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C/[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000038149148 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000038149162 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000038149163 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000038149164 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\O[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000038149165 KK Annotated Mild C=CC[C@@H]1C=C[C@H](O/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)[C@H](CO)O1 ZINC000038149170 KK Annotated Mild CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(c4cccc(Oc5ccccc5)c4)C(=O)[C@H]3CC[C@@H]12 ZINC000038149190 KK Annotated Mild Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN(CC(F)(F)F)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000038149635 KK Annotated Mild COC[C@H]1CCCN1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1C ZINC000038149680 KK Annotated Anodyne COC[C@H]1CCCN1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2o1 ZINC000038149682 KK Annotated Anodyne CCS(=O)(=O)Nc1ccc2[nH]c(O)c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c2c1 ZINC000038149784 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC1=C(OC)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O ZINC000038150124 KK Annotated Mild Nc1n(Cc2ccccc2)c2ccccc2[n+]1CCCCCCCCCCCC[n+]1c(N)n(Cc2ccccc2)c2ccccc21 ZINC000038150546 KK Annotated Anodyne O=C1c2ccc(-c3ccc(F)cc3OCc3ccccc3)cc2S(=O)(=O)c2cccc(C(=O)N3CCCC3)c21 ZINC000038151032 KK Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151039 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(F)c4)C(=O)N23)c1 ZINC000038151040 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038151041 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(Cl)c4)C(=O)N23)cc1 ZINC000038151042 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151044 KK Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038151046 KK Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151047 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151050 KK Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038151051 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1 ZINC000038151053 KK Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038151055 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151056 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151057 KK Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038151058 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151059 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038151060 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151061 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(F)c4)C(=O)N23)c1 ZINC000038151062 KK Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000038151064 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1 ZINC000038151067 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038151068 KK Annotated Anodyne CC[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)N1[C@H](c1cccc(C)c1)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000038151069 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038151070 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4cccc(F)c4)C(=O)N23)cc1 ZINC000038151071 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(F)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038151074 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038151075 KK Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151076 KK Annotated Anodyne CCCCCCCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCC2(CC1)CC(c1ccccc1)=NO2 ZINC000038151106 KK Annotated Mild CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCC2(CC1)CC(c1ccccc1)=NO2 ZINC000038151107 KK Annotated Anodyne CCCC[C@H](CC)C(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCC2(CC1)CC(c1ccccc1)=NO2 ZINC000038151108 KK Annotated Anodyne CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)NCCC)ccc1N1CCC2(CC1)CC(c1cccc(Br)c1)=NO2 ZINC000038151112 KK Annotated Anodyne CCCC[C@H](CC)C(=O)Nc1cc(C(=O)NCCC)ccc1N1CCC2(CC1)CC(c1cccc(Br)c1)=NO2 ZINC000038151113 KK Annotated Anodyne CCCCCCCC(=O)Nc1cc(C(=O)NCCC)ccc1N1CCC2(CC1)CC(c1cccc(Br)c1)=NO2 ZINC000038151114 KK Annotated Mild Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3cccc(Br)c3)=NO4)c([N+](=O)[O-])c2)cc1 ZINC000038151118 KK Annotated Bother Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3cccc(Br)c3)=NO4)c(N)c2)cc1 ZINC000038151122 KK Annotated Anodyne Cc1ccc(CNC(=O)c2ccc(N3CCC4(CC3)CC(c3cccc(Br)c3)=NO4)c(NC(=O)c3ccco3)c2)cc1 ZINC000038151123 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151124 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C[C@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151125 KK Annotated Anodyne CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000038151126 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000038151127 KK Annotated Mild O=C(c1ccccc1)N1CCC(C[C@@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151130 KK Annotated Anodyne O=C(c1ccccc1)N1CCC(C[C@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151131 KK Annotated Anodyne O=C(Cc1ccc(F)cc1)N1CCC(C[C@@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151132 KK Annotated Anodyne O=C(Cc1ccc(F)cc1)N1CCC(C[C@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151133 KK Annotated Anodyne CC1(C(=O)N2CCC(C[C@@H]3CC(c4cccc(Br)c4)=NO3)(C(=O)NCC3CCCCC3)CC2)CC1 ZINC000038151134 KK Annotated Anodyne CC1(C(=O)N2CCC(C[C@H]3CC(c4cccc(Br)c4)=NO3)(C(=O)NCC3CCCCC3)CC2)CC1 ZINC000038151135 KK Annotated Anodyne O=C(CCCCCBr)N1CCC(C[C@@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151136 KK Annotated Reactive O=C(CCCCCBr)N1CCC(C[C@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151137 KK Annotated Reactive O=C(C1CCCC1)N1CCC(C[C@@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151138 KK Annotated Anodyne O=C(C1CCCC1)N1CCC(C[C@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 ZINC000038151139 KK Annotated Anodyne CCCCCCCNC(=O)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000038151140 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000038151141 KK Annotated Mild O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCc4ccccc4C3)c2N1Cc1ccc(Br)cc1 ZINC000038151142 KK Annotated Anodyne O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCc4ccccc4C3)c2N1Cc1ccc(Br)cc1 ZINC000038151143 KK Annotated Anodyne Cc1ccc(N2C(=O)N3[C@H](c4ccc(F)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(Cc3ccccc3)C2=O)cc1 ZINC000038151148 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4ccc(OC)cc4)C(=O)N23)cc1 ZINC000038151149 KK Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]21Cc1ccccc1 ZINC000038151150 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(Br)c4)C(=O)N23)cc1 ZINC000038151151 KK Annotated Anodyne Cc1ccc(N2C(=O)N3[C@H](c4ccc(Cl)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(Cc3ccccc3)C2=O)cc1 ZINC000038151152 KK Annotated Anodyne C=C(C=O)[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)ON[C@H](C(=O)OC)c1ccccc1 ZINC000038151776 KK Annotated Reactive C=C(C=O)[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)ON[C@H](C(=O)OC)c1ccccc1 ZINC000038151780 KK Annotated Reactive C=C(C=O)[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)ON[C@@H](C(=O)OC)c1ccccc1 ZINC000038151788 KK Annotated Reactive C=C(C=O)[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)ON[C@@H](C(=O)OC)c1ccccc1 ZINC000038151791 KK Annotated Reactive COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)N23)cc1 ZINC000038152036 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4cccc(C)c4)C(=O)N23)cc1 ZINC000038152037 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038152039 KK Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21Cc1ccccc1 ZINC000038152040 KK Annotated Anodyne CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(C)cc3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038152041 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3ccc(C(F)(F)F)cc3)C(=O)[C@@]21Cc1ccccc1 ZINC000038152044 KK Annotated Anodyne Cc1cccc(N2C(=O)N3[C@H](c4ccc(F)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000038152046 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038152048 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4ccc(C)cc4)C(=O)N23)cc1 ZINC000038152052 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)N23)c1 ZINC000038152055 KK Annotated Anodyne Cc1cccc(N2C(=O)N3[C@H](c4ccc(Cl)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000038152057 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(Br)c4)C(=O)N23)c1 ZINC000038152059 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21Cc1ccccc1 ZINC000038152060 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccccc4)C(=O)N23)c1 ZINC000038152069 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)N23)c1 ZINC000038152077 KK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccc(Br)cc4)[C@@H]4C(=O)N(C(C)(C)C)C(=O)[C@@H]4[C@]3(Cc3ccccc3)C2=O)cc1 ZINC000038152081 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4cccc(Br)c4)C(=O)N23)cc1 ZINC000038152087 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccccc4)C(=O)N(c4ccc(Br)cc4)C(=O)N23)cc1 ZINC000038152093 KK Annotated Anodyne C[C@@]12C(=O)N(c3cccc(Br)c3)C(=O)N1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 ZINC000038152101 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000038152104 KK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4cccc(C)c4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4[C@]3(Cc3ccccc3)C2=O)cc1 ZINC000038152106 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)N23)cc1 ZINC000038152108 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4ccccc4)C(=O)N23)c1 ZINC000038152114 KK Annotated Anodyne CCCCCCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c1C(=O)C(OC)=CC2=O ZINC000038152117 KK Annotated Mild Cc1cccc(N2C(=O)N3[C@H](c4ccc(F)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(Cc3ccccc3)C2=O)c1 ZINC000038152120 KK Annotated Anodyne CCCCCCCCCCCCn1c2nc(=O)n(-c3ccccc3)c(=O)c-2cc2c1C(=O)C(=O)c1ccccc1-2 ZINC000038152178 KK Annotated Mild CN(C[C@@](C)(CCN1CC[C@@H]2[C@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152411 KK Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152412 KK Annotated Anodyne CN(C[C@@](C)(CCN1CC[C@@H]2[C@H](CCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152413 KK Annotated Bother CN(C[C@@](C)(CCN1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000038152414 KK Annotated Bother CC(C)(C)[C@@H]([C@@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000038152514 KK Annotated Anodyne CCCCCCCCCCCCN(C)C(=O)Oc1ccc2c(c1)c1cc3c(C(=O)NCCN(C)C)nccc3c(C)c1n2C ZINC000038152569 KK Annotated Mild O=C(NCCn1c(C(F)(F)F)nc2cc(C(F)(F)F)ccc21)[C@H]1CCCN1c1nc(CN2CCCCC2)cs1 ZINC000038152750 KK Annotated Anodyne Cc1ccc(-c2csc(N(CCO)CCCn3c(C(F)(F)F)nc4cc(C(F)(F)F)ccc43)n2)cc1 ZINC000038152751 KK Annotated Anodyne Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(-c4ccncc4)n5CCOCCO)CC3)n2)cc1 ZINC000038152752 KK Annotated Anodyne Cc1ccc(-c2csc(N3CCN(c4cc5c(cc4Cl)nc(-c4ccncc4)n5CCN4CCCCC4)CC3)n2)cc1 ZINC000038152753 KK Annotated Anodyne Cc1ccc(-c2csc(N3CCN(c4ccc5nc(-c6ccncc6)n(CCN6CCCCC6)c5c4)CC3)n2)cc1 ZINC000038152754 KK Annotated Anodyne CC/C=C\C/C=C/C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H]1O[C@H]([C@@H]2CCCC=C2C)C=CC1=O ZINC000038152939 KK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000038152969 KK Annotated Reactive CCCCCCCCCC[C@@H](O)COCCOC[C@@H](O)C#CCCCCCCC[C@@H]1C[C@H](CC(C)=O)C(=O)O1 ZINC000038153025 KK Annotated Mild CCCCCCCCCC[C@@H](O)COCCOC[C@@H](O)C#CCCCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1 ZINC000038153026 KK Annotated Mild CCCCCCCCCC[C@H](O)COCCOC[C@H](O)C#CCCCCCCC[C@@H]1C[C@H](CC(C)=O)C(=O)O1 ZINC000038153038 KK Annotated Mild CCCCCCCCCC[C@H](O)COCCOC[C@H](O)C#CCCCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1 ZINC000038153039 KK Annotated Mild CCCOC(=O)/C1=C\[C@H]2[C@@H](C[C@H](OC(=O)/C=C/c3cn(C)cn3)[C@]3(C)C=C[C@@]1(OC)O3)C(C)=CC[C@@H]2C(C)C ZINC000038154026 KK Annotated Anodyne CSc1nc(/C=C(\C)[C@@H]2C/C=C/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1 ZINC000038154040 KK Annotated Anodyne C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 ZINC000038154943 KK Annotated Bother C[N+](C)(Cc1ccc(NC(=O)C2=Cc3cc(-c4ccc(N5CCCCC5)cc4)ccc3CCC2)cc1)C1CCOCC1 ZINC000038154946 KK Annotated Bother CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155118 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(N)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155123 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CCc2ccccc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155130 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](COCc2ccccc2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155147 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(O)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000038155150 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](CC2CCCCC2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000038155153 KK Annotated Anodyne CC/C=C\CCOc1cc(CCc2nc(C)c(CC)s2)nc(NCc2cc(Cl)cc(NC(=O)OC(C)C)c2)c1 ZINC000038155694 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000038155899 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000038155900 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(C)(=O)=O ZINC000038155901 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(C)(=O)=O ZINC000038155902 KK Annotated Mild CCC[C@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)Cn3ccnc3)cc2C(C)(C)C)=C(O)O1 ZINC000038155903 KK Annotated Mild CCC[C@@]1(CCc2ccc(O)cc2)CC(=O)C(Sc2cc(C)c(OS(=O)(=O)Cn3ccnc3)cc2C(C)(C)C)=C(O)O1 ZINC000038155904 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000038155905 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000038155906 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000038155907 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccc1 ZINC000038155908 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000038155909 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccs1 ZINC000038155910 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1cccs1 ZINC000038155911 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O ZINC000038155912 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccn1 ZINC000038155914 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccn1 ZINC000038155915 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000038155916 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1cccs1 ZINC000038155917 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(C#N)cc1 ZINC000038155918 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1cccnc1 ZINC000038155919 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(CC(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000038155921 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(CC(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000038155922 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(F)cc1 ZINC000038155923 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccn1 ZINC000038155924 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccccn1 ZINC000038155925 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)N(C)C ZINC000038155926 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000038155927 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000038155928 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000038155929 KK Annotated Mild CCNS(=O)(=O)Nc1cc(C(C)(C)C)c(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)cc1C ZINC000038155932 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccccc1 ZINC000038155933 KK Annotated Mild CCCCCCCCCCCCCCCCOCC1(COC(=O)CCCCC[n+]2ccccc2)COC1 ZINC000038156459 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CO[P@@](=O)(O)OCC[n+]2ccccc2)CCCC1 ZINC000038156460 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)CC(C)(C)C ZINC000038156463 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)CC(C)(C)C ZINC000038156464 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1cccc(C#N)c1 ZINC000038156465 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NC(=O)c1cccc(C#N)c1 ZINC000038156466 KK Annotated Mild COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CCc2ccccc2C1 ZINC000038156546 KK Annotated Mild CC(=O)N1CCC(C(=O)N(CCCN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156573 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCC([S@@](=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156574 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCC([S@](=O)c3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156575 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N(CCCN2CCC(Sc3ccc(F)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1 ZINC000038156576 KK Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCC[N+](C)(C)C)NC(=O)C(C)(C)C ZINC000038156713 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)Nc1ccccn1)NC(=O)C(C)(C)C ZINC000038156715 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)C ZINC000038156717 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(CC[N+](C)(C)C)C(=O)CC)OC ZINC000038157190 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC[N+](C)(C)C)C(=O)CC)OC ZINC000038157191 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(CC[N+](C)(C)C)C(=O)N1CCCC1)OC ZINC000038157192 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC[N+](C)(C)C)C(=O)N1CCCC1)OC ZINC000038157193 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(CC[N+](C)(C)C)C(=O)N(C)C)OC ZINC000038157200 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC[N+](C)(C)C)C(=O)N(C)C)OC ZINC000038157201 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(CC[N+](C)(C)C)C(=O)OC)OC ZINC000038157204 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC[N+](C)(C)C)C(=O)OC)OC ZINC000038157205 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(CC[N+](C)(C)C)C(=O)CCC)OC ZINC000038157206 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC[N+](C)(C)C)C(=O)CCC)OC ZINC000038157207 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(Cc1scc[n+]1CC)C(C)=O)OC ZINC000038157212 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1scc[n+]1CC)C(C)=O)OC ZINC000038157213 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(Cc1csc[n+]1CC)C(C)=O)OC ZINC000038157214 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1csc[n+]1CC)C(C)=O)OC ZINC000038157215 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(CC[N+]1(C)CCCCC1)C(C)=O)OC ZINC000038157218 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(CC[N+]1(C)CCCCC1)C(C)=O)OC ZINC000038157219 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H](COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC(C)=O ZINC000038157220 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)N(CC[N+](C)(C)C)C(C)=O)OC(C)=O ZINC000038157221 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(Cc1csc[n+]1C)C(C)=O)OC ZINC000038157224 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(Cc1csc[n+]1C)C(C)=O)OC ZINC000038157225 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(C[C@@H]1CCC[N+]1(C)CC)C(C)=O)OC ZINC000038157228 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(C[C@@H]1CCC[N+]1(C)CC)C(C)=O)OC ZINC000038157230 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)N(C[C@H]1CCC[N+]1(C)CC)C(C)=O)OC ZINC000038157232 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](COC(=O)N(C[C@H]1CCC[N+]1(C)CC)C(C)=O)OC ZINC000038157233 KK Annotated Mild CC1=NC(=S)N(C(=O)OC2CCN(Cc3ccc(F)cc3)CC2)[C@H](c2ccccc2C(F)(F)F)/C1=C(\O)OC(C)C ZINC000038157237 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000038157238 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)N(C(=O)O[C@H]2CCCN(Cc3ccccc3)C2)C(=O)N1 ZINC000038157239 KK Annotated Anodyne CCCCCCCCCCCCCCCNOC(=O)C[C@H]1CC[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000038157294 KK Annotated Mild CCCCCCCCCCCCCCCNOC(=O)C[C@@H]1CC[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000038157295 KK Annotated Mild CCCCCCCCCCCCCCCNOC(=O)C[C@H]1CC[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1 ZINC000038157296 KK Annotated Mild CCCCCCCCCCCCCCCNOC(=O)C[C@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157297 KK Annotated Mild CCCCCCCCCCCCCCCNOC(=O)C[C@@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157298 KK Annotated Mild CCCCCCCCCCCCCCCNOC(=O)C[C@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157299 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000038157354 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000038157355 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000038157356 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000038157357 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1OC[C@H](COCCCCCC[n+]2ccsc2)O1 ZINC000038157362 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1OC[C@H](COCCCCCC[n+]2ccsc2)O1 ZINC000038157363 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1OC[C@@H](COCCCCCC[n+]2ccsc2)O1 ZINC000038157364 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1OC[C@@H](COCCCCCC[n+]2ccsc2)O1 ZINC000038157365 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157382 KK Annotated Mild CCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157383 KK Annotated Mild CCCCCCCCCCCCCCOC[C@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157384 KK Annotated Mild CCCCCCCCCCCCCCOC[C@@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157385 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157426 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157427 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157428 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1CO[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)C1 ZINC000038157429 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1CO[C@@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157438 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1CO[C@@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157439 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1CO[C@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157440 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1CO[C@H](COCCCCCC[n+]2ccsc2)C1 ZINC000038157441 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1C[C@H](COCCCCCC[n+]2ccsc2)CO1 ZINC000038157442 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COCCCCCC[n+]2ccsc2)CO1 ZINC000038157443 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COCCCCCC[n+]2ccsc2)CO1 ZINC000038157444 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COCCCCCC[n+]2ccsc2)CO1 ZINC000038157445 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1C[C@H](COCCCCC[n+]2ccsc2)CO1 ZINC000038157458 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COCCCCC[n+]2ccsc2)CO1 ZINC000038157459 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COCCCCC[n+]2ccsc2)CO1 ZINC000038157460 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COCCCCC[n+]2ccsc2)CO1 ZINC000038157461 KK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157466 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1CO[C@@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157467 KK Annotated Mild CCCCCCCCCCCCCCCC[C@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157468 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@H]1CO[C@H](COCCCCCCC[n+]2ccsc2)C1 ZINC000038157469 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1C[C@H](COCCCCCCC[n+]2ccsc2)CO1 ZINC000038157470 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COCCCCCCC[n+]2ccsc2)CO1 ZINC000038157471 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COCCCCCCC[n+]2ccsc2)CO1 ZINC000038157472 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COCCCCCCC[n+]2ccsc2)CO1 ZINC000038157473 KK Annotated Mild CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157514 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000038157515 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157516 KK Annotated Anodyne CN(CCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C[C@H](O)COc1ccccc1 ZINC000038157517 KK Annotated Anodyne C=Cc1cnc(N2CCN(c3nc4c(-c5cc(F)c(F)c(F)c5)cc(C(F)(F)F)cc4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157607 KK Annotated Anodyne C[C@@H]1CN(c2ncc(Br)cc2Cl)CCN1c1nc2c(-c3cc(F)c(F)c(F)c3)cc(C(F)(F)F)cc2[nH]1 ZINC000038157608 KK Annotated Anodyne C[C@H](O)c1cnc(N2CCN(c3nc4c(-c5cc(F)c(F)c(F)c5)cc(C(F)(F)F)cc4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157612 KK Annotated Anodyne C[C@@H](O)c1cnc(N2CCN(c3nc4c(-c5cc(F)c(F)c(F)c5)cc(C(F)(F)F)cc4[nH]3)[C@H](C)C2)c(Cl)c1 ZINC000038157613 KK Annotated Anodyne C[C@@H](O)c1cnc(N2CCN(c3nc4c(-c5cc(F)c(F)c(F)c5)cc(C(F)(F)F)cc4[nH]3)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000038157614 KK Annotated Mild C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2c(N(Cc3ccccc3)Cc3ccccc3)cc(C(F)(F)F)cc2[nH]1 ZINC000038157615 KK Annotated Anodyne C[C@@H]1CN(c2ncc(CO)cc2Cl)CCN1c1nc2c(NC(=O)OC(C)(C)C)cc(C(F)(F)F)cc2[nH]1 ZINC000038157617 KK Annotated Anodyne C[C@@H]1CN(c2ncc(CO)cc2C(F)(F)F)CCN1c1nc2c(-c3cc(F)c(F)c(F)c3)cc(C(F)(F)F)cc2[nH]1 ZINC000038157619 KK Annotated Mild C[C@H]1CN(c2nc3c(-c4cc(F)c(F)c(F)c4)cc(C(F)(F)F)cc3[nH]2)CCN1c1ncccc1Br ZINC000038157627 KK Annotated Anodyne C[C@@H]1CN(c2nc3cc(C(F)(F)F)cc(-c4cc(F)c(F)c(F)c4)c3[nH]2)CCN1c1ncccc1Br ZINC000038157628 KK Annotated Anodyne C[C@H]1CN(c2ncccc2Br)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000038157629 KK Annotated Anodyne C[C@@H]1CN(c2ncccc2Br)CCN1c1nc2c(-c3cc(F)c(F)c(F)c3)cc(C(F)(F)F)cc2[nH]1 ZINC000038157630 KK Annotated Anodyne FC(F)(F)c1cc(C2CCC(C(F)(F)F)CC2)c2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1 ZINC000038157638 KK Annotated Mild FC(F)(F)c1cc(-c2cc3ccccc3s2)c2[nH]c(N3CCN(c4ncccc4C(F)(F)F)CC3)nc2c1 ZINC000038157640 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cn1 ZINC000038157641 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)c1 ZINC000038157645 KK Annotated Mild FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cc1 ZINC000038157647 KK Annotated Mild CC(C)S(=O)(=O)N1CCC2(CC1)C[C@@]2(c1ccc(-c2cccc(C#N)c2)cc1)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000038157821 KK Annotated Mild N#Cc1cccc(-c2ccc([C@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(C(=O)N3CCCC3)CC4)cc2)c1 ZINC000038157823 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(C(=O)N3CCCC3)CC4)cc2)c1 ZINC000038157824 KK Annotated Mild CN(C)C(=O)N1CCC2(CC1)C[C@@]2(c1ccc(-c2cccc(C#N)c2)cc1)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 ZINC000038157825 KK Annotated Mild N#Cc1cccc(-c2ccc([C@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(CC(=O)O)CC4)cc2)c1 ZINC000038157827 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(CC(=O)O)CC4)cc2)c1 ZINC000038157828 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(Cc3ccccc3)CC4)cc2)c1 ZINC000038157831 KK Annotated Mild N#Cc1cccc(-c2ccc([C@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(Cc3ccccc3)CC4)cc2)c1 ZINC000038157832 KK Annotated Mild N#Cc1cccc(-c2ccc([C@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(CC3CC3)CC4)cc2)c1 ZINC000038157833 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@]3(c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)CC34CCN(CC3CC3)CC4)cc2)c1 ZINC000038157834 KK Annotated Mild CN(C)S(=O)(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)CC1 ZINC000038157837 KK Annotated Mild CS(=O)(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000038157839 KK Annotated Mild CCN(CC)C(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000038157840 KK Annotated Mild CN(C)C(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000038157841 KK Annotated Mild Cn1cccc1C(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000038157842 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(C(=O)c4cccs4)CC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157843 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(C(=O)C4CC4)CC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157844 KK Annotated Mild CC(=O)N1CCC(=C(c2ccc(-c3cccc(C#N)c3)cc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 ZINC000038157845 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(Cc4nccs4)CC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157846 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(CC(N)=O)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000038157847 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(CCO)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000038157848 KK Annotated Mild Fc1cc2[nH]c(C(=C3CCN(CC4CC4)CC3)c3ccc(-c4cncnc4)cc3)nc2cc1C(F)(F)F ZINC000038157853 KK Annotated Anodyne O=c1ccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c[nH]1 ZINC000038157854 KK Annotated Anodyne N#Cc1c[nH]c(=O)c(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000038157855 KK Annotated Mild N#CCc1cccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157856 KK Annotated Mild N#Cc1cncc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157857 KK Annotated Mild N#Cc1ccc(F)c(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000038157858 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c1 ZINC000038157859 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(Cl)cc(Cl)c4[nH]3)cc2)c1 ZINC000038157861 KK Annotated Mild N#Cc1cccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)c1 ZINC000038157862 KK Annotated Mild N#Cc1cccc(-c2ccc([C@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCN(CC4CC4)CC3)cc2)c1 ZINC000038157866 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCN(CC4CC4)CC3)cc2)c1 ZINC000038157867 KK Annotated Mild N#Cc1cccc(-c2ccc([C@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCN(C4CCCC4)CC3)cc2)c1 ZINC000038157868 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@H](NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCN(C4CCCC4)CC3)cc2)c1 ZINC000038157869 KK Annotated Mild N#Cc1cccc(-c2ccc([C@H](CCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)C3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000038157874 KK Annotated Mild N#Cc1cccc(-c2ccc([C@@H](CCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)C3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000038157875 KK Annotated Mild O=C(CNC1(c2ccc(-c3cc(Cl)ccc3Cl)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157895 KK Annotated Anodyne O=C(CNC1(c2ccc(-c3cccc(Cl)c3)cc2)CCN(C2CCCC2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000038157904 KK Annotated Anodyne O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F ZINC000038157979 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F ZINC000038157980 KK Annotated Mild Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@H](O)C(F)(F)F)c2)ccc1F ZINC000038157981 KK Annotated Mild Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1F ZINC000038157982 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1)C(F)(F)F ZINC000038157983 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1)C(F)(F)F ZINC000038157984 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F ZINC000038157985 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F ZINC000038157986 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F ZINC000038157987 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F ZINC000038157988 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2)c1)C(F)(F)F ZINC000038157989 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2)c1)C(F)(F)F ZINC000038157990 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F ZINC000038157991 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F ZINC000038157992 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F ZINC000038157993 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F ZINC000038157994 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F ZINC000038157995 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F ZINC000038157996 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cc(F)cc(F)c2)c1)C(F)(F)F ZINC000038157997 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cc(F)cc(F)c2)c1)C(F)(F)F ZINC000038157998 KK Annotated Mild O=[N+]([O-])c1c(F)cccc1Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@H](O)C(F)(F)F)c1 ZINC000038157999 KK Annotated Mild O=[N+]([O-])c1c(F)cccc1Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)C[C@@H](O)C(F)(F)F)c1 ZINC000038158000 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(C(F)(F)F)c2)c1)C(F)(F)F ZINC000038158001 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2cccc(C(F)(F)F)c2)c1)C(F)(F)F ZINC000038158002 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(F)(F)F ZINC000038158003 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(F)(F)F ZINC000038158004 KK Annotated Mild C=CCO[C@H](c1ccnc2ccc(OC)cc12)[C@@H]1C[C@@H]2CC[N+]1(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)C[C@@H]2C=C ZINC000038158718 KK Annotated Mild C=C[C@H]1C[N+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@H]2[C@H](OCc1ccccc1)c1ccnc2ccccc12 ZINC000038158719 KK Annotated Mild C=C[C@H]1C[N+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 ZINC000038158720 KK Annotated Mild C=C[C@H]1C[N+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc12 ZINC000038158721 KK Annotated Mild C=C[C@H]1C[N+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12 ZINC000038158722 KK Annotated Mild C=CCO[C@@H](c1ccnc2ccc(OC)cc12)[C@H]1C[C@@H]2CC[N+]1(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)C[C@@H]2C=C ZINC000038158723 KK Annotated Mild C=C[C@H]1C[N+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@@H]2[C@@H](OCc1ccccc1)c1ccnc2ccccc12 ZINC000038158724 KK Annotated Mild C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@@H]2CC[N+]1(Cc1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)C[C@@H]2C=C ZINC000038158725 KK Annotated Mild C=C[C@H]1C[N+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12 ZINC000038158726 KK Annotated Mild CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCOP(=O)(Oc1ccccc1)Oc1ccccc1)CCC[C@@H]3C[C@@H]2C ZINC000038158734 KK Annotated Reactive CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@]13OO2 ZINC000038158739 KK Annotated Reactive CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C ZINC000038159194 KK Annotated Mild CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@H]1C ZINC000038159195 KK Annotated Mild CCCCCCCCN1C(=O)[C@@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@H]1C ZINC000038159205 KK Annotated Mild CCCCCCCCN1C(=O)[C@H](Cc2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)N(C)C(=O)[C@@H]1C ZINC000038159207 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](CC(=O)CC(C)C)[C@H]21 ZINC000038159390 KK Annotated Mild COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000038178034 KK Annotated Clean COc1cc(/C=C2\CC[C@H](C)[C@H]3C2=NN(C(C)=O)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000038179558 KK Annotated Anodyne Nc1ccccc1S[C@H](/C=C/NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 ZINC000038187913 KK Annotated Anodyne Clc1ccc(S[C@H](/C=C/NNC2=N[C@H](c3ccccc3)C(c3ccccc3)=NN2)c2ccccc2)cc1 ZINC000038188060 KK Annotated Anodyne CCOC(=O)Nc1nc(NC(=O)OCC)c2c(ccc3c2ccn3Cc2ccccc2C(F)(F)F)n1 ZINC000038246276 KK Annotated Anodyne CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(NCCO)c(N)n2)cc1 ZINC000038246362 KK Annotated Anodyne Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(C(=O)O)CCCCCCCCC2)c(C)c1 ZINC000038246695 KK Annotated Anodyne COC(=O)c1c(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000038257668 KK Annotated Anodyne CC(C)=CCC1=C2O[C@@H](C(C)(C)O)C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000038264879 KK Annotated Mild O=C(N[C@@H](CCN1C[C@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2C1)c1ccccc1)C1CCCC1 ZINC000038276312 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000038291019 KK Annotated Mild Cc1c(O)c2c(c3c1O[C@]1(O)[C@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000038300777 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@@]1(O)[C@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000038300778 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000038300779 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)O[C@H](c1ccccc1)CC2=O ZINC000038300780 KK Annotated Anodyne CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000038311369 KK Annotated Mild in-vitro O=C(N[C@@H](Cc1c[nH]c2ccc(C3N=NN=N3)cc12)C(=O)O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1 ZINC000038320305 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](Oc1ccccc1)[C@](C)(O)[C@H](C)C2 ZINC000038321999 KK Annotated Anodyne in-vitro biogenic C/C1=C\C[C@@H](c2ccc3sc(C)nc3c2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000038324183 KK Annotated Anodyne CCCCC/C=C\C[C@@]1(OC(C)=O)C=C(I)C(=O)/C1=C\C=C\CCCC(=O)OC ZINC000038324383 KK Annotated Mild CCC[C@@H]1CN(Cc2ccc(CN3C(=O)[C@@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1 ZINC000038324616 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)Cn1ccnc1 ZINC000038344913 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)Cn1ccnc1 ZINC000038344914 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)C=C3)[C@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000038348648 KK Annotated Mild CCCCCCCCCCCCCCc1cccc(OC[C@@H](CO[P@@](=O)(O)Oc2cccc(C[n+]3ccsc3)c2)OC)c1 ZINC000038361381 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@H](CO[P@@](=O)(O)Oc1cccc(C[n+]2csc(C)c2)c1)OC ZINC000038361417 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)Oc1cccc(C[n+]2csc(C)c2)c1)OC ZINC000038361418 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](CO[P@@](=O)(O)Oc1cccc(C[n+]2ccsc2)c1)OC ZINC000038361421 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](CO[P@@](=O)(O)Oc1cccc(C[n+]2ccsc2)c1)OC ZINC000038361422 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](CO[P@@](=O)(O)Oc1ccccc1C[n+]1ccsc1)OC ZINC000038361423 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](CO[P@@](=O)(O)Oc1ccccc1C[n+]1ccsc1)OC ZINC000038361424 KK Annotated Mild CN(C)CCCCOc1cc(F)c(-c2c(Cl)nc(-c3cnccn3)nc2NCC(F)(F)F)c(F)c1 ZINC000038362563 KK Annotated Anodyne O=C(Nc1nncs1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372486 KK Annotated Anodyne O=C(Nc1nncs1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372487 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372488 KK Annotated Anodyne O=C(NCCCc1c[nH]cn1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372493 KK Annotated Anodyne O=C(NCCCc1c[nH]cn1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372494 KK Annotated Anodyne O=C(NCCCn1ccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000038372496 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCC1 ZINC000038372497 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCCC1 ZINC000038372499 KK Annotated Anodyne CC(=O)CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)NCc1cccnc1 ZINC000038372503 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CCC1CCCCC1 ZINC000038372505 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCCCC1 ZINC000038372506 KK Annotated Anodyne COc1cc2cc(COC(C)=O)c(COC(C)=O)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OC ZINC000038377583 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)c7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7C[C@H]6[C@]5(C)CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000038377619 KK Annotated Anodyne in-vivo C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377626 KK Annotated Anodyne C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCN2CCOCC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377627 KK Annotated Anodyne COCCOCCN1C(=O)[C@H](c2ccc(Cl)cc2)N([C@H](C)c2ccc(Cl)cc2N)C(=O)c2cc(I)ccc21 ZINC000038377628 KK Annotated Anodyne C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000038377631 KK Annotated Anodyne O=C(O)CCCCN1C(=O)[C@@H](c2ccc(Cl)cc2)N([C@H](C(=O)O)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21 ZINC000038377637 KK Annotated Anodyne O=C(O)CCCCN1C(=O)[C@H](c2ccc(Cl)cc2)N([C@H](C(=O)O)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21 ZINC000038377638 KK Annotated Anodyne O=C(O)CCCCN1C(=O)[C@@H](c2ccc(Cl)cc2)N([C@@H](C(=O)O)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21 ZINC000038377639 KK Annotated Anodyne O=C(O)CCCCN1C(=O)[C@H](c2ccc(Cl)cc2)N([C@@H](C(=O)O)c2ccc(Cl)cc2)C(=O)c2cc(I)ccc21 ZINC000038377640 KK Annotated Anodyne O=C(O)CCCCNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377653 KK Annotated Anodyne O=C(O)CCNC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2NC(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377654 KK Annotated Anodyne C[C@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377656 KK Annotated Anodyne Nc1cc(Cl)ccc1CN1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377670 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377671 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377672 KK Annotated Anodyne CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC[C@]2(CCCNC2)C1 ZINC000038398331 KK Annotated Anodyne CC(=O)OC[C@]12CCC(C(C)C)=C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000038415457 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC3)C(C)C ZINC000038432535 KK Annotated Mild in-vitro biogenic COc1cc(OC)c2c(c1)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c1cccc(OC)c1N2 ZINC000038432647 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000038432836 KK Annotated Mild in-vitro Cc1cccc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5cccc(C)n5)cc4C)o3)c(C)c2)n1 ZINC000038456937 KK Annotated Anodyne Cc1ccccc1-c1cnc(N(C)C2CCCCC2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O ZINC000038457657 KK Annotated Anodyne O=c1cc(NCC2(CNCc3cn(Cc4ccccc4)c4ccccc34)CCCCC2)[nH]c2ccccc12 ZINC000038474488 KK Annotated Anodyne Cc1cc(C)cc(Sc2c(CSCc3cccs3)c(C)[nH]c(=O)c2I)c1 ZINC000038517075 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)CO)[C@](C)(CCC(=O)O)C3=CC[C@]12C)C(C)C ZINC000038517152 KK Annotated Mild CCOc1ccc(Cc2nc3cc(C(=O)N(CC(F)(F)F)CC(F)(F)F)ccc3n2CC2CC2)cc1 ZINC000038578957 KK Annotated Anodyne O=C1N=C(O)[C@@H]2[C@@H]3C([C@@](O)(c4ccccc4)c4ccccn4)=C[C@@H](/C3=C(/c3ccccc3)c3ccccn3)[C@@H]12 ZINC000038605378 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(O)ccc(O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000038664699 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000038664701 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(O)ccc(O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000038664705 KK Annotated Anodyne C=C(C)[C@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CC/C=C(/C)CO)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000038749906 KK Annotated Mild S=C(N/N=C(C(=N/NC(=S)Nc1ccccc1)/c1ccccc1)\c1ccccc1)Nc1ccccc1 ZINC000038796562 KK Annotated Mild CC(=O)OC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@@]1(C)O ZINC000038804387 KK Annotated Anodyne CC/C=C/C/C=C(/C)[C@H](O)CC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000038806793 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000038913586 KK Annotated Mild in-vitro CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000038913588 KK Annotated Mild in-vitro CC(C)=CCc1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H](C(C)(C)O)O[C@H]4CC[C@]2(C)[C@@]31C ZINC000038945037 KK Annotated Mild CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@@H]1c1cc(N/C(=N/[C@@H](C)C(C)(C)C)NC#N)ccc1OC(F)F ZINC000038972184 KK Annotated Reactive CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@H]1c1cc(N/C(=N/[C@@H](C)C(C)(C)C)NC#N)ccc1OC(F)F ZINC000038972185 KK Annotated Reactive CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@@H]1c1cc(N/C(=N/[C@H](C)C(C)(C)C)NC#N)ccc1OC(F)F ZINC000038972186 KK Annotated Reactive CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@H]1c1cc(N/C(=N/[C@H](C)C(C)(C)C)NC#N)ccc1OC(F)F ZINC000038972187 KK Annotated Reactive CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)O[C@@H]4C)[C@@]3(C)[C@@H](OC(=O)C[C@H](C)O)C[C@H]21 ZINC000038972203 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000038972302 KK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OCc3ccc([N+](=O)[O-])cc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000038972426 KK Annotated Bother C/C(=C\Cc1cc(O)ccc1O)CCC[C@@H](C)[C@@H](C[C@H]1CCC[C@H]2C(C)(C)CCC[C@@]21C)OS(=O)(=O)O ZINC000038972774 KK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OC(=O)c3ccccc3)[C@@H](C)N(C=O)[C@H](C)C4)c(C)cc(OC)c12 ZINC000038993881 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000039015726 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000039015728 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCC#C/C=C\CCCCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000039015730 KK Annotated Mild CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000039072250 KK Annotated Anodyne C/C1=C\CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 ZINC000039072365 KK Annotated Reactive CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)cccc3c2)cc1 ZINC000039122511 KK Annotated Anodyne in-vivo CC(C)=CC[C@@]12C[C@H]3[C@@H]([C@H]4OC4(C)C)[C@@](CC=C(C)C)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000039146810 KK Annotated Anodyne CC(=O)OC[C@]12CCC(C)(C)C[C@H]1[C@]1(C)CC[C@@]3(C)[C@@H]4C(=O)C=C(OC(C)=O)[C@H](C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC2 ZINC000039146997 KK Annotated Mild CN(C)CCCNCc1ccc2nc3c(ccc4cc5cc(CNCCCN(C)C)ccc5nc43)cc2c1 ZINC000039167220 KK Annotated Bother COc1cccc2c(-c3ccc4c(c3OCc3ccc(Cl)cc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000039184014 KK Annotated Anodyne CCN(CC)CCCOC(=O)c1ccc2c(c1)c1cc(C(=O)OCCCN(CC)CC)ccc1n2CC ZINC000039208124 KK Annotated Anodyne COc1ccc(Nc2nc(NCCc3ccccc3F)nc(Nc3ccc4ncccc4c3)n2)cc1OC ZINC000039286897 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3cccc(C(=O)O)c3)sc2c1 ZINC000039289518 KK Annotated Anodyne CCCC[C@@H](CCS(=O)(=O)c1ccccc1)NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(Cl)cc1 ZINC000039290215 KK Annotated Anodyne CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2 ZINC000039350484 KK Annotated Anodyne in-vitro O=C(N/C(=C\c1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000004012678 KK Annotated Anodyne Cc1cccc(N2CCN(c3ccc4[nH]c(=O)c(CCCCNC(=O)OCc5ccc(Cl)cc5Cl)nc4n3)C[C@@H]2C)c1 ZINC000004035948 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000004036332 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004036430 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCN(c4ccc(F)cc4)CC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004036453 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000004036526 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000004036527 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004036590 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004036591 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036598 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004036600 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004037032 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004037041 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000004037053 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000004037055 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004037066 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004037069 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004037176 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004037179 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037218 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004037224 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000004037256 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000004037258 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004037301 KK Annotated Bother CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004037307 KK Annotated Bother CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000004037315 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000004037320 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004037415 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004037425 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004037431 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004037441 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000004037637 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000004037640 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004037708 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1N ZINC000004037721 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041663 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041665 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041673 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041681 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041687 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041692 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041696 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000004041704 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004041780 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004041785 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004041791 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004041795 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042215 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042225 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042239 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042251 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042264 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042273 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042303 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004042319 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004042655 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004042668 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004042702 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004042718 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004042749 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004042751 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004042752 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004042759 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042762 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042764 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042771 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042775 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042778 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042780 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042782 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042794 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042820 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042823 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042829 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042834 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042837 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042840 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042843 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004042847 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004042884 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004042887 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004042891 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004042895 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004043261 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004043265 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004043274 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004043279 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043660 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043665 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043669 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043678 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043687 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043692 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043702 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004043710 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043794 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043802 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043823 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043836 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043946 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043951 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043959 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043971 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043976 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043987 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004043992 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004044000 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044008 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044010 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044012 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044014 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004044016 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004044017 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004044019 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004044025 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044034 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044035 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044037 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044038 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004044043 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004044045 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004044052 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004044054 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044069 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044073 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044079 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004044080 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044261 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044263 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044268 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044271 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044272 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044273 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044276 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044279 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000004044280 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000004044282 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000004044284 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c(OC)c1OC ZINC000004044287 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044312 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044316 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044324 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044328 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004044329 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004044331 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004044333 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004044335 KK Annotated Bother C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004044370 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004044372 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004044374 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 ZINC000004044375 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004044377 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004044379 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004044381 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004044382 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004044433 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004044435 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004044437 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004044440 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044562 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044567 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044576 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000004044587 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044653 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044656 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044663 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000004044666 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044840 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044842 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044846 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044849 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044868 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044870 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004044871 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044941 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044944 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044946 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044953 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044977 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044980 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044981 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004044982 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045008 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045010 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045013 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045015 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045020 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045023 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045026 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004045029 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004045041 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004045043 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004045044 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004045047 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004045089 KK Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004045092 KK Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004045094 KK Annotated Bother C[C@@H](NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004045096 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045480 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045482 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045484 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004045485 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004045654 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004045655 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004045656 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004045657 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045658 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045660 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045662 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045664 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045666 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045667 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045668 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045669 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004045670 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004045672 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004045673 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004045674 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045675 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045676 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045678 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045679 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045680 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045681 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045682 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045683 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045684 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045686 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045689 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004045691 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004045692 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004045693 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004045694 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004045696 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004045697 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004045698 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004045700 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004045701 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004045719 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004045720 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004045722 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004045725 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004045727 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004045730 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004045733 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004045736 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004045746 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004045748 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004045754 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004045755 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004045789 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004045793 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004045797 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004045800 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004045820 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004045822 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004045828 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004045832 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004045835 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004045839 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004045842 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004045844 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000004045851 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004045854 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000004045855 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004045856 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004045886 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004045888 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004045892 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004045894 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004045912 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004045915 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004045918 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004045922 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004045924 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004045926 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004045929 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004045932 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004045941 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004045943 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004045946 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004045949 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004045971 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004045972 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004045975 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004045978 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004045991 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004045992 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004045996 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004045998 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004046000 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004046006 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004046007 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004046011 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004046014 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004046015 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004046020 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004046024 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OCC)cc2)cc1 ZINC000004046048 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(OCC)cc2)cc1 ZINC000004046050 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000004046052 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000004046055 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004046079 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004046081 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004046083 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004046085 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000004046163 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000004046164 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000004046165 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000004046168 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046198 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046200 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046201 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046205 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004046208 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004046209 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004046211 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004046215 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046216 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046219 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046225 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004046229 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004046262 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004046265 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004046267 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004046269 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046325 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046326 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046330 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046333 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046335 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046337 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046341 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046344 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046357 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046359 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046366 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046370 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000004046378 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000004046379 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000004046382 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000004046386 KK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046389 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046391 KK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046393 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004046394 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046397 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046398 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046400 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046402 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046406 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046409 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046411 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004046415 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)c1OC ZINC000004046418 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)c1OC ZINC000004046421 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)c1OC ZINC000004046424 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)c1OC ZINC000004046426 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000004046448 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000004046450 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000004048543 KK Annotated Anodyne CCCCCCN(C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048549 KK Annotated Anodyne CCCCCCN(CCO)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048550 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N(Cc3ccccc3)Cc3ccccc3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048555 KK Annotated Anodyne CC[C@@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048709 KK Annotated Anodyne CC[C@H]1CCCCN1c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048710 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000004048715 KK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000004048716 KK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)C1 ZINC000004048717 KK Annotated Anodyne O=c1[nH]c2ccc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)nc2nc1CSCc1ccccc1 ZINC000004048819 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(Cc4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000004048843 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000004048846 KK Annotated Anodyne CC(C)CN(CC(C)C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000004048848 KK Annotated Anodyne CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1 ZINC000004048849 KK Annotated Anodyne CC1CCN(c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)CC1 ZINC000004048850 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(Cc4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048851 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048852 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048853 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048854 KK Annotated Anodyne COc1ccc(CCN(C)c2ccc3[nH]c(=O)c(CCCCNC(=O)OCc4ccc(Cl)cc4Cl)nc3n2)cc1OC ZINC000004048855 KK Annotated Anodyne CC(C)CN(CC(C)C)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048856 KK Annotated Anodyne CCN(Cc1ccccc1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048857 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000004048862 KK Annotated Anodyne O=C(NCCCc1nc2nc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)ccc2[nH]c1=O)OCc1ccccc1 ZINC000004048873 KK Annotated Anodyne Oc1nc2ccc(N3CCC(=C(c4ccccc4)c4ccccc4)CC3)nc2nc1Cc1ccc(F)cc1 ZINC000004048881 KK Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccccc3Cl)nc2n1)C1CCCCC1 ZINC000004048898 KK Annotated Anodyne CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1 ZINC000004048901 KK Annotated Anodyne CCN(c1ccc2[nH]c(=O)c(CCCCNC(=O)OCc3ccc(Cl)cc3Cl)nc2n1)C1CCCCC1 ZINC000004048902 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004048905 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004049583 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004049584 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049710 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049711 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049712 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004049713 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049714 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049715 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004049716 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004049717 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004049732 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004049733 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004049734 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004049735 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004050254 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004050259 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004050265 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004050268 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050334 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050338 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050343 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004050348 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004050649 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004050654 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004050658 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004050662 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004050689 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004050690 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004050701 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004050708 KK Annotated Bother COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004050812 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004050813 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004050814 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004050816 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051237 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051239 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051243 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004051246 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004052007 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004052008 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004052011 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004052012 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004052013 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004052014 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004052018 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004052021 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004052023 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004052025 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004052053 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004052055 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004052063 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004052065 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004052066 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004052069 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004052075 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004052078 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004052083 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004052085 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004052118 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004052121 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004052129 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004052135 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004052136 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004052137 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004052138 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004052139 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004052238 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004052241 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004052242 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004052244 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004052287 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004052292 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004052293 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004052295 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004052296 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004052299 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004052304 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004052308 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004052410 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004052412 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004052416 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004052417 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004052438 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004052439 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004052440 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004052442 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052674 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052675 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052677 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004052680 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004052722 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004052723 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004052724 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004052725 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004053006 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004053011 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004053016 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004053019 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053174 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053176 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053179 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004053181 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004053345 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004053347 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004053369 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004053374 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004053377 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004053381 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004053383 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004053386 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004053387 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004053389 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004053447 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004053448 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004053449 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004053450 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004053580 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004053584 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004053591 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004053595 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004053855 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004053856 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004053860 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004053865 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004053921 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004053923 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004053929 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004053931 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055288 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055289 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055290 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055291 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004055306 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004055307 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004055308 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004055309 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004055432 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004055433 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004055434 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004055435 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055436 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055437 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055438 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055439 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055440 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055441 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055442 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055443 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004055444 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004055445 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055446 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055447 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055448 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055449 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055450 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055451 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055452 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004055453 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055454 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055455 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055456 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004055457 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004055458 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004055459 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004055460 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004055461 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004055462 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004055463 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004055464 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004055465 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055546 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055547 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055548 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004055549 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055564 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055565 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055566 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055567 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055681 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055682 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004055683 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004055684 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004055685 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004055686 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004055687 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004055688 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055693 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004055694 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055695 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004055696 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055709 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055710 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055713 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004055715 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055717 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004055720 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055721 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004055723 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004055828 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004055829 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004055830 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004055831 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004055832 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004055833 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004055834 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004055835 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004055848 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004055849 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004055850 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004055851 KK Annotated Bother COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004055876 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004055877 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004055878 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c(OC)c1OC ZINC000004055879 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004055888 KK Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004055889 KK Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004055890 KK Annotated Bother C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004055891 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004055892 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004055893 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004055894 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004055895 KK Annotated Bother COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004055896 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004055897 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004055898 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004055899 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055946 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055947 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055948 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004055949 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055950 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055951 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055952 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055953 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055986 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004055987 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055988 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004055989 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056050 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056051 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056052 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004056053 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004056054 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004056055 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004056056 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004056057 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056061 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056062 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004056063 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004056074 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004056075 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004056076 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004056077 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000004075420 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000004075421 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000004075430 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1 ZINC000004075431 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000004075440 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1 ZINC000004075441 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004075442 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004075443 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004075444 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004075445 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004075450 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004075451 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004075460 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004075461 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004075462 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004075463 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004075464 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004075465 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004075466 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004075467 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004075468 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004075469 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075472 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075473 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075474 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004075475 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc(OCC)c2)cc1 ZINC000004075478 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc(OCC)c2)cc1 ZINC000004075479 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc(OCC)c2)cc1 ZINC000004075480 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc(OCC)c2)cc1 ZINC000004075481 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075484 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075485 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075486 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075487 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004075488 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004075489 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004075490 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004075491 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004075496 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004075497 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004075498 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004075499 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004075515 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004075530 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004075531 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004075532 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004075533 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075552 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075553 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075554 KK Annotated Bother CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004075555 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075623 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075624 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075625 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075626 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075627 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075628 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075629 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3cc(Br)ccc3F)[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000004075630 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004075646 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004075654 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004075660 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004075670 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OCC)ccc1OC ZINC000004075683 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OCC)ccc1OC ZINC000004075691 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccccc2OCC)ccc1OC ZINC000004075694 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccccc2OCC)ccc1OC ZINC000004075698 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004075702 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004075709 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004075717 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004075722 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004075727 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004075733 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004075738 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004075745 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004075765 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004075767 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004075772 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004075776 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004075779 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004075782 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004075786 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004075792 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075800 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075807 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075811 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004075824 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004075879 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004075895 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004075898 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004075903 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004075906 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004075913 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004075916 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004075924 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004075973 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004075975 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004075978 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004075981 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004075983 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004075985 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004075988 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004075990 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004076000 KK Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004076002 KK Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004076004 KK Annotated Bother C[C@@H](NC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004076005 KK Annotated Bother CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076126 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076142 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076160 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000004076166 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004076467 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004076468 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004076471 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004076472 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004076477 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004076478 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004076482 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004076484 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004076497 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004076514 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004076536 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004076543 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004076568 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004076570 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004076572 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004076576 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076622 KK Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076629 KK Annotated Bother O=C(NCCOc1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076647 KK Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004076657 KK Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004076661 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004076669 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004076678 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004076687 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004077084 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004077092 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004077106 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004077121 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004077147 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004077156 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004077173 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004077429 KK Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004077437 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004077445 KK Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004077447 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004077449 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004077451 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004077453 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004077455 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004077776 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004077783 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004077789 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004077799 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077803 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077809 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077821 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004077831 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004077835 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004077839 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004077843 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004077847 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004077851 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004077857 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004077862 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004077872 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077877 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077883 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077887 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077890 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077897 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077901 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077905 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004077910 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004077914 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004077922 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004077927 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004077933 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004077939 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004077941 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004077945 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004077950 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004077956 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004077962 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004077968 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004077979 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004078001 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004078004 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004078011 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004078013 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004078021 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004078022 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004078035 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004078043 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004078051 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004078060 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004078070 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004078080 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004078088 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004078098 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004078167 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004078173 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004078184 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004078196 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004078202 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004078214 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)ccc1OC ZINC000004078274 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cccc3ccccc23)ccc1OC ZINC000004078285 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)ccc1OC ZINC000004078294 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cccc3ccccc23)ccc1OC ZINC000004078302 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004078308 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004078316 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004078332 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004078342 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004078348 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004078359 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004078374 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004078386 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004078445 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004078455 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004078457 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004078458 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004078462 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004078463 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004078480 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004078488 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004078505 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004078506 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004078516 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004078521 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004078531 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004078536 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004078550 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004078551 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004078565 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004078574 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004078598 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004078602 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004078616 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000004078628 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004078634 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004078640 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004078644 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000004078662 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004078664 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004078684 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004078686 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004078699 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004078703 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004078712 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004078871 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004078883 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004078896 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004078907 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004078948 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004078952 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004078967 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004078985 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004079004 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004079031 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004079072 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004079096 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004079123 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004079147 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004079252 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004079278 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004079284 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004079311 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004079322 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004079328 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004079458 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004079461 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004079475 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004079490 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004079629 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004079636 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004079664 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004079671 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004079683 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004079691 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004079702 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004079712 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004079733 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004079738 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004079792 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004079798 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004079801 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004079805 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004079809 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004079813 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079829 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079832 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079836 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079838 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079843 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079846 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079848 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079850 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079851 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079853 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079854 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079855 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004079876 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004079879 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004079880 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004079885 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079908 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079913 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079918 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079920 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079922 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079926 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079928 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079930 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079932 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079934 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079936 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079937 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079951 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079953 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079956 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004079959 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004079977 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004079980 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004079987 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004079989 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080001 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080002 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080004 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080006 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080011 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080012 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080014 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080015 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004080054 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004080057 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004080060 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c(OC)c1OC ZINC000004080067 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080096 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080102 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080107 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004080110 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004080114 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004080119 KK Annotated Bother COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004080123 KK Annotated Bother COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004080130 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004080131 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004080137 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004080142 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004080145 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004080166 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004080168 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000004080169 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)c1ccccc1 ZINC000004080170 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004080172 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004080173 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004080190 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004080191 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080195 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080196 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000004080202 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl)c1ccccc1 ZINC000004080203 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004080216 KK Annotated Bother CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000004080217 KK Annotated Bother CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000004080218 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004080219 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F)c1ccccc1 ZINC000004080220 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004080222 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004080224 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cccc2ccccc12 ZINC000004080225 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080227 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080230 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080231 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080234 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004080238 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004080240 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004080241 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004080243 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004080249 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004080251 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004080252 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004080255 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000004080264 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000004080266 KK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080269 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080271 KK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080272 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080273 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1N ZINC000004080274 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004080275 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080276 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080278 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080280 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080281 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004080282 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004080284 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004080286 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004080288 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)c1OC ZINC000004080289 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)c1OC ZINC000004080291 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)c1OC ZINC000004080294 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)c1OC ZINC000004080297 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004080298 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004080300 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004080302 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004080305 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080323 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080324 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080325 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000004080326 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080327 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000004080328 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080329 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080331 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080332 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080333 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000004080334 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000004080338 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080351 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080352 KK Annotated Bother CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004080353 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080354 KK Annotated Bother CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004080355 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080356 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080357 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080358 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080359 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080360 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080367 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080368 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080369 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080370 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004080375 KK Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004080378 KK Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004080381 KK Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004080385 KK Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000004080388 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000004080390 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000004080394 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000004080398 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080402 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080404 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080405 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004080406 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)c1 ZINC000004080413 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)c1 ZINC000004080416 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)c1 ZINC000004080420 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)c1 ZINC000004080423 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1 ZINC000004080440 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1 ZINC000004080443 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000004080447 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000004080450 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080461 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1N ZINC000004080462 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1N ZINC000004080463 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000004080464 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1N ZINC000004080466 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000004080467 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004080480 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004080482 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004080484 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004080486 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1 ZINC000004080489 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1 ZINC000004080491 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000004080493 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000004080495 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004080497 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004080499 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004080502 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004080505 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004080506 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004080509 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004080511 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004080514 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004080525 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004080527 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004080529 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004080531 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004080547 KK Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004080549 KK Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004080551 KK Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004080553 KK Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004080555 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004080557 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004080558 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004080559 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080564 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004080566 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004080568 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000004080569 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004080570 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000004080571 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004080572 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004080574 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004080583 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004080585 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004080587 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004080589 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004080612 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004080613 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004080615 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004080617 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004080618 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004080620 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004080622 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004080624 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004080625 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004080627 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004080629 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004080632 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000004080681 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000004080683 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000004080686 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000004080688 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004080690 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004080693 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004080695 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004080696 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004080724 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004080725 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004080726 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004080727 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080772 KK Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000004080773 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080774 KK Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000004080775 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080777 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004080778 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1 ZINC000004080842 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1 ZINC000004080844 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004080856 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004080857 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004080859 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004080860 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004080891 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004080892 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004080923 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004080924 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004080925 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004080926 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080933 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080935 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080942 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004080948 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004080959 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004080961 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004080964 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004080965 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004080975 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004080979 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004080982 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004080985 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004080991 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004080995 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004080997 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004081002 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004081003 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004081004 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004081008 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004081011 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004081014 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004081016 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004081018 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004081021 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004081024 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004081026 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004081028 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004081029 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004081030 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004081031 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004081032 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004081033 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004081034 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004081035 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004081036 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004081041 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004081056 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004081059 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004081062 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004081064 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004081067 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004081069 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004081070 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004081071 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1OC ZINC000004081072 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000004081074 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081100 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081101 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004081103 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004081105 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004081139 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004081142 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004081145 KK Annotated Anodyne CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000004081147 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081183 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081185 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081189 KK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081191 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081193 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004081194 KK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081196 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004081199 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004081210 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1 ZINC000004081212 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000004081216 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl)c1ccccc1 ZINC000004081217 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004081252 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004081254 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004081256 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004081257 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004081264 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004081267 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004081271 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004081272 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004081276 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004081280 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004081282 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004081284 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004081286 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004081287 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004081289 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004081297 KK Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004081300 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004081302 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004081307 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004081310 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004081311 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004081314 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004081333 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004081334 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004081335 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004081336 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004081467 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004081469 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004081473 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004081477 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081507 KK Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081508 KK Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081509 KK Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081511 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004081528 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004081531 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004081533 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004081536 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004081543 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004081545 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004081547 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004081550 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004081555 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004081556 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004081557 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004081560 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004081568 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004081570 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004081572 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004081574 KK Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081629 KK Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081631 KK Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081632 KK Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004081633 KK Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004081649 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004081650 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004081652 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004081712 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004081713 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004081714 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004081715 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004081727 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004081729 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004081730 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004081731 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004081759 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004081761 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004081764 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004081765 KK Annotated Anodyne C=Cc1c2[nH]c(c1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(C)c1C=C)C2 ZINC000004095530 KK Annotated Anodyne in-man endogenous COc1cc(OC)c2cc3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@@](C)(O)C6)c2c1)C[C@@H](C)O[C@H]3C ZINC000004098438 KK Annotated Anodyne in-vitro COc1cc(OC)c2cc3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)C6)c2c1)C[C@@H](C)O[C@H]3C ZINC000004098439 KK Annotated Anodyne in-vitro COc1cc(OC)c2cc3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@](C)(O)C6)c2c1)C[C@H](C)O[C@H]3C ZINC000004098440 KK Annotated Anodyne in-vitro C=C(C)CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000004098467 KK Annotated Mild in-vitro C[C@@H]1N[C@H](CCCCCCCCCCC2=C[C@@H](CCCCCCCCCC[C@@H]3CC[C@H](O)[C@H](C)N3)[C@H]3CCCN3C2)CC[C@@H]1O ZINC000004098586 KK Annotated Anodyne in-vitro C[C@@H]1N[C@H](CCCCCCCCCCC2=C[C@H](CCCCCCCCCC[C@@H]3CC[C@H](O)[C@H](C)N3)[C@H]3CCCN3C2)CC[C@@H]1O ZINC000004098587 KK Annotated Anodyne in-vitro O=C(C1C(c2ccccc2)C(C(=O)N2C=C([C@H]3CCCCN3)CCC2)C1c1ccccc1)N1C=C([C@H]2CCCCN2)CCC1 ZINC000004098598 KK Annotated Anodyne Oc1ccc(C2=C(c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)c3c(O)cc(O)cc3[C@H]3[C@H]2c2cc(O)cc(O)c2[C@H]3c2ccc(O)cc2)cc1 ZINC000004098625 KK Annotated Anodyne in-vitro C=CCc1ccc(Oc2cc(CC=C)cc(O[C@]3(C)CCC[C@]4(C)CC[C@@H](C(C)(C)O)C[C@H]43)c2O)cc1 ZINC000004098759 KK Annotated Mild in-vitro biogenic COc1cc(O)c2c(=O)c3ccc(Oc4cccc5c(=O)c6c(O)cc7c(c6n(C)c45)[C@H](O)[C@@H](C(C)C)O7)c(O)c3n(C)c2c1 ZINC000004098818 KK Annotated Bother in-vitro CC(C)=CCc1c(O)c([C@@H]2CC(C)(C)Oc3cc(O)c4c(=O)c5ccccc5[nH]c4c32)c(O)c2c(=O)c3ccccc3n(C)c12 ZINC000004098831 KK Annotated Bother in-vitro CC(C)=CCc1c(O)c([C@H]2CC(C)(C)Oc3cc(O)c4c(=O)c5ccccc5[nH]c4c32)c(O)c2c(=O)c3ccccc3n(C)c12 ZINC000004098832 KK Annotated Bother in-vitro CCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)C1(Cl)C2(C)C2(Cl)C(=O)Oc3cc(OP(=S)(OCC)OCC)ccc3C12C ZINC000004098979 KK Annotated Reactive in-vitro Cc1oc2nc1-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)-c1nc(co1)C1=N[C@H](CS1)c1nc-2c(C)o1 ZINC000004102312 KK Annotated Anodyne in-vivo C[C@@H](O)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004102342 KK Annotated Bother in-vitro C[C@H]1c2cccc3c2N(c2cccc(C(=O)O)c2N3)c2cc(C(=O)O)c3nc4cccc([C@@H](C)O)c4nc3c21 ZINC000004102343 KK Annotated Bother in-vitro C[C@H](O)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004102344 KK Annotated Bother in-vitro C[C@H](O)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004102345 KK Annotated Bother in-vitro CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152718 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152719 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152723 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152727 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152729 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152730 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152732 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152733 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152769 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152771 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152772 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004152774 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153085 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153087 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153090 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153092 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153094 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153096 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153098 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153101 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153103 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153104 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153107 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153110 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153112 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153115 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153118 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153119 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153120 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153121 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004153122 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004153123 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004153124 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004153125 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153128 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153129 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153130 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153131 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153132 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153133 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153260 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153261 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153262 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153263 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153278 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153279 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153280 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004153281 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153422 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153423 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153424 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153425 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153426 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153427 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153428 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153429 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004153438 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004153439 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004153440 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccccc2Br)c1 ZINC000004153441 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153442 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153443 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153444 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153445 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153446 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153447 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004153448 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153449 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004153450 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153491 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153492 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153493 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153494 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153495 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153496 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153497 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153498 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153499 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153500 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153501 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153502 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153503 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153504 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153505 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153506 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004153511 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004153512 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004153513 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000004153514 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153515 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153516 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153517 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153518 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153519 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153520 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153521 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153522 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153539 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153540 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153541 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153542 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153543 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153544 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153545 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153546 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153559 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153560 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153561 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153562 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153563 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153564 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153565 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153566 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153614 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153615 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153616 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004153617 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153651 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153652 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153653 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153654 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153655 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153656 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153657 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153658 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153679 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153680 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153681 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153682 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153729 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153730 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153731 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153732 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153733 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153734 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153735 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153736 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153741 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153742 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153743 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153744 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153757 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153758 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153759 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153760 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153782 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153783 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153784 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153785 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153795 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153796 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153797 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153798 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153807 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153808 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153809 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153810 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153811 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153812 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153813 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004153814 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153819 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153820 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153821 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153822 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153844 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153845 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153846 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004153847 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153929 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004153930 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153931 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004153932 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153997 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153998 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004153999 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154000 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154001 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154002 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154003 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004154004 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154047 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154048 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154049 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154050 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154051 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154052 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154053 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154054 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154055 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154056 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154057 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154058 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154059 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154060 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154061 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154062 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154063 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154064 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154065 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154066 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004154067 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004154068 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004154069 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004154070 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154071 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154072 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154073 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154074 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154075 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154076 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154077 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154078 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154079 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154080 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154081 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154082 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154087 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154088 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154089 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154090 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154091 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154092 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154093 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154094 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154099 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154100 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154101 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154102 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154115 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154116 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154117 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154118 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154127 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154128 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154129 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154130 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154135 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154136 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154137 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154138 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154151 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154153 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154159 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154160 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154161 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154162 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154163 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154164 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154165 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154166 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154171 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154172 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154173 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154174 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154187 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154188 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154189 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154190 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004154191 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccccc2OCC)cc1 ZINC000004154192 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004154193 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccccc2OCC)cc1 ZINC000004154194 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004154195 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004154196 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004154197 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004154198 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004154199 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004154200 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004154201 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004154202 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004154207 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004154208 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004154209 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000004154210 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OCC)cc2)cc1 ZINC000004154211 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(OCC)cc2)cc1 ZINC000004154212 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000004154213 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000004154214 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004154219 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004154220 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004154221 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004154222 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154251 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154252 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154253 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154254 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154291 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154292 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154293 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154294 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154315 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154316 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154317 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154318 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154319 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154320 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154321 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154322 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154327 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154328 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154329 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154330 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154337 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154338 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154339 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154340 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154341 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154342 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154343 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154344 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154345 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154346 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154347 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004154348 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154349 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154350 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154351 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154352 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154353 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154354 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154363 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154364 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154365 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004154366 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154371 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154372 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154381 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154382 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154383 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004154384 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154385 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154386 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154387 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154388 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154389 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154390 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154399 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154400 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154401 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004154402 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004154403 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cccc3ccccc23)cc1 ZINC000004154404 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004154405 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cccc3ccccc23)cc1 ZINC000004154406 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004154407 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004154408 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004154409 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004154410 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004154411 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004154412 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004154413 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004154414 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004154423 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004154424 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004154425 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004154426 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004154427 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004154428 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004154429 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004154430 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154457 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154458 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154459 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004154460 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154491 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154492 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154493 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004154494 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154813 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154817 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004154826 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004154827 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154829 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004154838 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004154847 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccccc1F ZINC000004154854 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004155014 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004155019 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccccc1F ZINC000004155025 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccccc1F ZINC000004155034 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004155081 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004155085 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004155092 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004155104 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004155107 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004155108 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004155113 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004155122 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004155134 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004155136 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004155137 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004155138 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004155140 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004155141 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004155143 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004155147 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004155156 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004155157 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004155158 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004155159 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155164 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155165 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155166 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155167 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155168 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155169 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155170 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1OC ZINC000004155171 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155186 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004155187 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccccc3Br)nc2c1 ZINC000004156398 KK Annotated Anodyne CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(OC(C)=O)c(OC(C)=O)c5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000004164775 KK Annotated Anodyne in-vitro CC(=O)OC[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CCc5c(cc(OC(C)=O)c(OC(C)=O)c5C)[C@]4(C)CC[C@@]3(C)[C@H]2C1 ZINC000004164793 KK Annotated Anodyne in-vitro CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@]12C ZINC000004165414 KK Annotated Anodyne in-vitro CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@@H]4[C@]3(C)CC[C@]12C ZINC000004165448 KK Annotated Anodyne in-vitro CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000004165664 KK Annotated Anodyne in-vitro CC(=O)Oc1cc2c(c(C)c1OC(C)=O)C[C@H]1O[C@@]13[C@@]2(C)CC[C@@]1(C)[C@H]2C[C@](C)(C(=O)O)CC[C@]2(C)CC[C@@]13C ZINC000004165687 KK Annotated Anodyne in-vitro CCCCCC(=O)Cc1cc(O)cc(O)c1C(=O)Oc1cc(CC(=O)CCCCC)c(C(=O)O)c(OC)c1 ZINC000004165719 KK Annotated Anodyne in-vitro CC(=O)N1CCC2(CC1)C[C@H](NCCc1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172818 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](NCCc1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172819 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004172826 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004172827 KK Annotated Anodyne C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004172830 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004172832 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004172842 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004172844 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004172846 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004172848 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004172862 KK Annotated Mild C/N=C(\S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004172864 KK Annotated Mild CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004172866 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004172867 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172872 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172873 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172876 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172877 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172878 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172879 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172880 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172881 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172882 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172883 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172884 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172885 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172886 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172887 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172896 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172897 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004172898 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004172899 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172900 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172901 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172902 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172903 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172904 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172905 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172906 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172907 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172908 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172909 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172910 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172911 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172920 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172921 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004172922 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004172923 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172924 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172926 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172928 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172930 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172932 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172934 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172936 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172938 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172940 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172942 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172944 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172946 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000004172948 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000004172950 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000004172952 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000004172954 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172956 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172958 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)/C(S)=N\c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004172960 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)/C(S)=N\c2cccc(C)c2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004172962 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172964 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172965 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172966 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172967 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172968 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172969 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172970 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172971 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172972 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172973 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172974 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172975 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172976 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004172977 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004172978 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004172979 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172984 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004172985 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172988 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004172989 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172990 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004172991 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172992 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004172993 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172994 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004172995 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172996 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004172997 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172998 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004172999 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000004173006 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCN(c4ncccn4)CC3)ccc1O2 ZINC000004173007 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004173008 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004173009 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004173010 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004173011 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000004173012 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000004173013 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000004173014 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000004173015 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000004173016 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000004173017 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000004173018 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000004173019 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000004173020 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000004173021 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000004173022 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000004173023 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000004173024 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000004173025 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000004173026 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000004173027 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000004173030 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000004173031 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000004173032 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000004173033 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173034 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173035 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173036 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173037 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004173038 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004173039 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173040 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173041 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173042 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173043 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173044 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173045 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173046 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173047 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173048 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173049 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004173054 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004173055 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004173056 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004173057 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173058 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173059 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173060 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173061 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004173062 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004173063 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173064 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173065 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173066 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173067 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173068 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173069 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004173078 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004173079 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173082 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173084 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173086 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173088 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173090 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173092 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173094 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173096 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173098 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173100 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173102 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173104 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N/c1ccc(C)c(Cl)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000004173108 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000004173110 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000004173111 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000004173112 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000004173113 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000004173114 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000004173115 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000004173116 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000004173117 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000004173118 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000004173119 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000004173128 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)c1 ZINC000004173129 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000004173130 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)c1 ZINC000004173131 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000004173132 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)c1 ZINC000004173133 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173134 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004173135 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173136 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004173137 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004173138 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004173139 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173140 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000004173141 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173142 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004173143 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173144 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004173145 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173146 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004173147 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173148 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004173149 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004173152 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004173153 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004173154 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004173155 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004173164 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004173165 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004173166 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004173167 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004173168 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004173169 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004173170 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004173171 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004173220 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175663 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175665 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175673 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000004175674 KK Annotated Anodyne in-vitro CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004182728 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004182734 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004182735 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004182751 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004182752 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004182775 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004182778 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004182826 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004182829 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004182844 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004182848 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004182850 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004182854 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004182861 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004182868 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004182875 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004182879 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004182883 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004182887 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000004182930 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000004182933 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004182936 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004182943 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004182958 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004182965 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004182970 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004182977 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004182986 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004182993 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183000 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183011 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183018 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183025 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004183094 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004183105 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183157 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183170 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183182 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183199 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183214 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183222 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000004183235 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000004183242 KK Annotated Mild COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004183408 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004183413 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(C)cc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004183416 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(CCc2ccc(OC)c(OC)c2)C(=O)c2ccc(C)cc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004183424 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004183442 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004183452 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004183461 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004183470 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183478 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183480 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183486 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183494 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183497 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183505 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000004183558 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1OC ZINC000004183564 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004183568 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004183585 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004183596 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004183599 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004183602 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004183607 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004183612 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004183617 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183625 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183630 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183633 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183641 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183647 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183654 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000004183659 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1OC ZINC000004183665 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000004183668 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1OC ZINC000004183674 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004183682 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004183692 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183742 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004183745 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183754 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183761 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183767 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183776 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004183873 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004183882 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183968 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000004183973 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183985 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1OC ZINC000004183992 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004184136 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000004184153 KK Annotated Anodyne COc1ccc(CCN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004184164 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004184182 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004184195 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004184229 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1OC ZINC000004184240 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000004184251 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000004184255 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000004184303 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000004184314 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000004184323 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000004184335 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000004184345 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000004184357 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004184426 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000004184434 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004184440 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000004184467 KK Annotated Anodyne CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004188750 KK Annotated Mild C/N=C(\S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004188781 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004188826 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004188842 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004188852 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004188860 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004188879 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCc3ccccc3N)ccc1O2 ZINC000004188896 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004188934 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NCCCN(C)c3ccccc3)ccc1O2 ZINC000004188949 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004189013 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000004189018 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189033 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189038 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189045 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189050 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189053 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189062 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189071 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189093 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189106 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189126 KK Annotated Anodyne COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189139 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189153 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189159 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189173 KK Annotated Mild COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189198 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189205 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189218 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189233 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189251 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189260 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189264 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189274 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189284 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189290 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189294 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189316 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189329 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189342 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189349 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189357 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189370 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189384 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189394 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189403 KK Annotated Anodyne COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189410 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189428 KK Annotated Mild COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189443 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000004189458 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189466 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000004189481 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004189528 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004189532 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004189537 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000004189542 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189674 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189682 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189686 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189697 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189716 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189723 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189729 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189733 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189738 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004189742 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004190340 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004190346 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004190355 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004190362 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004201120 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004201129 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004201162 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004201167 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004201185 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004201186 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004201229 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004201233 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201851 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201861 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201877 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004201885 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004201960 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004201961 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000004202002 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000004202003 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000004202004 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCCCc4ccccc4)C[C@@H]3C(=O)NCCCN(C)c3ccccc3)ccc2c1 ZINC000004202005 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004202016 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004202017 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004202018 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000004202019 KK Annotated Anodyne Nc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000004202020 KK Annotated Clean Nc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000004202021 KK Annotated Clean Nc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000004202022 KK Annotated Clean Nc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000004202023 KK Annotated Clean CN(CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004202024 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004202025 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004202035 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004202036 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004202038 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004202039 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004202040 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004202041 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004202046 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004202047 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004202057 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004202059 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004202078 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004202079 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004202080 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004202081 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004202082 KK Annotated Anodyne Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1 ZINC000004202083 KK Annotated Anodyne Nc1ccc(CNC(=O)[C@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000004202084 KK Annotated Clean Nc1ccc(CNC(=O)[C@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000004202085 KK Annotated Clean Nc1ccc(CNC(=O)[C@@H]2C[C@@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000004202086 KK Annotated Clean Nc1ccc(CNC(=O)[C@@H]2C[C@H](OCCCc3ccccc3)CN2C(=O)c2ccccc2OCc2ccccc2)cc1 ZINC000004202087 KK Annotated Clean CN(CCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004202088 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004202089 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004202110 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004202111 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004202120 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCCCc3ccccc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004202121 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202236 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202237 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202238 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000004202239 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204499 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204500 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204502 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204503 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204504 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204505 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204507 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204508 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204514 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204515 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204516 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204517 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204531 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204534 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204536 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204540 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204641 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204643 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204644 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204646 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204674 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004204675 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204676 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004204677 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004204694 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004204697 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004204699 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004204702 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004204713 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004204716 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004204718 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004204721 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004204737 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004204739 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004204742 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004204746 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004204762 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004204763 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004204765 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004204767 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004204768 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004204769 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004204770 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2ccc(Cl)cc2F)ccc1OC ZINC000004204771 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204784 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204786 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204790 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204794 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204833 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1OC ZINC000004204836 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204838 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1OC ZINC000004204839 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204931 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204932 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204943 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204947 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204984 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204985 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204990 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004204993 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004206860 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004206862 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004206865 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004206867 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004206915 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004206918 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004206922 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000004206925 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004207253 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004207254 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004207255 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004207256 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207257 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207258 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207259 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004207260 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207261 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004207262 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004207263 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004207266 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004207268 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000004207270 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207275 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207276 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207278 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207279 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207280 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207281 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207283 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)cc1 ZINC000004207285 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207287 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207290 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207293 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004207296 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004207299 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004207300 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004207303 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)c([N+](=O)[O-])cc1OC ZINC000004207306 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004207308 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004207310 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004207314 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000004207316 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004207495 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004207496 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004207497 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004207498 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207513 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207514 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207515 KK Annotated Bother O=C(NCCc1ccc(F)cc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207516 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004207666 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004207669 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004207670 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004207672 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004207674 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004207676 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004207678 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004207680 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207693 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004207696 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207698 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004207699 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207714 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207715 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207716 KK Annotated Bother O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004207717 KK Annotated Bother O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207718 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004207719 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207720 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004207721 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004207808 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004207811 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004207814 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 ZINC000004207817 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004207819 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004207820 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004207822 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004207824 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004207854 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004207858 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004207864 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000004207867 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004207869 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004207871 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004207874 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000004207879 KK Annotated Bother C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004207916 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004207918 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004207919 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F)c1ccc(F)cc1 ZINC000004207921 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004207952 KK Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004207953 KK Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004207955 KK Annotated Bother C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(F)cc1 ZINC000004207957 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004207959 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004207961 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004207963 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000004207964 KK Annotated Bother COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004207966 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004207968 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC ZINC000004207969 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000004207971 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208046 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208047 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208048 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208049 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208050 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208051 KK Annotated Anodyne O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208053 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208055 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208115 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208118 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004208119 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004208121 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208225 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208226 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208227 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)C1 ZINC000004208228 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004208229 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004208230 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004208231 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)C1 ZINC000004208232 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208237 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208238 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208239 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000004208240 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004208251 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004208252 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004208253 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1OC ZINC000004208254 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004208303 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004208304 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004208305 KK Annotated Bother CC(C)(C)c1ccc(CNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004208306 KK Annotated Bother COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004208315 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004208316 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004208317 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000004208318 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004208339 KK Annotated Bother C[C@@H](NC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004208340 KK Annotated Bother C[C@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004208341 KK Annotated Bother C[C@@H](NC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000004208342 KK Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004208426 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCOc1ccccc1 ZINC000004208427 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004208428 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCOc1ccccc1 ZINC000004208429 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208450 KK Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208451 KK Annotated Bother O=C(NCCOc1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208452 KK Annotated Bother O=C(NCCOc1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004208453 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208489 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208490 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208491 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)C1 ZINC000004208492 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004208493 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004208494 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000004208495 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208512 KK Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208513 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208514 KK Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000004208515 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208516 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208517 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208518 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)C1 ZINC000004208519 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208564 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208565 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208566 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208567 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208568 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208569 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208570 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000004208571 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004208572 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208573 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004208574 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004208575 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004208576 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004208577 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004208578 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004208579 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208580 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208581 KK Annotated Anodyne CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208582 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208583 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208584 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208585 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208586 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1 ZINC000004208587 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208588 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208589 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208590 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208591 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004208592 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004208593 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004208594 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000004208595 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004208596 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004208597 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004208598 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)cc1OC ZINC000004208599 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004208602 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004208603 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004208604 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004208605 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004208606 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1OC ZINC000004208607 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004208608 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)c1OC ZINC000004208609 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004208610 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)c1OC ZINC000004208611 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004208616 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004208617 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004208618 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000004208619 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004208620 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000004208621 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004208626 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004208627 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004208628 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004208629 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004208632 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004208633 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004208634 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004208635 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004208636 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)c1 ZINC000004208637 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004208638 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)c1 ZINC000004208639 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004208640 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)c1 ZINC000004208641 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000004208646 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004208647 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000004208648 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000004208649 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004208650 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000004208651 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004208656 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004208657 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004208658 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)c1 ZINC000004208659 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004208662 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004208663 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004208664 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004208665 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004208666 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc(OC)c1 ZINC000004208667 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004208668 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004208669 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004208670 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc(OC)c1 ZINC000004208671 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004208676 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004208677 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004208678 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000004208679 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004208680 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000004208681 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004208686 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004208687 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004208688 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000004208689 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004208702 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc1 ZINC000004208703 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004208704 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc1 ZINC000004208705 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004208706 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000004208707 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004208718 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000004208719 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004208720 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004208721 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004208722 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1 ZINC000004208723 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208808 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208812 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208818 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000004208824 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004208825 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004208826 KK Annotated Bother COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004208827 KK Annotated Bother COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000004208830 KK Annotated Bother COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004208831 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004208832 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004208833 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1OC ZINC000004208837 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004208921 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208923 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cccc2ccccc12 ZINC000004208927 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cccc2ccccc12 ZINC000004208933 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208934 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208936 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208939 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208944 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004208985 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208986 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl ZINC000004208987 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl ZINC000004208989 KK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208996 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004208998 KK Annotated Anodyne COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004209001 KK Annotated Anodyne COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004209003 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209004 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209006 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209007 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209009 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004209010 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004209011 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F ZINC000004209013 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F ZINC000004209018 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)c1OC ZINC000004209019 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)c1OC ZINC000004209022 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)c1OC ZINC000004209028 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)c1OC ZINC000004209034 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004209040 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004209047 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004209058 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004209059 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000004209077 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000004209080 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000004209085 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000004209089 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004209102 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000004209103 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004209116 KK Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004209119 KK Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004209122 KK Annotated Bother COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1OC ZINC000004209127 KK Annotated Bother COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000004209130 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000004209132 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000004209136 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000004209140 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)c1 ZINC000004209155 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)c1 ZINC000004209158 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)c1 ZINC000004209160 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)c1 ZINC000004209162 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)c1 ZINC000004209183 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)c1 ZINC000004209185 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000004209187 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000004209190 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000004209200 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000004209202 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004209215 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004209217 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004209219 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004209223 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)c1 ZINC000004209225 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)c1 ZINC000004209229 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000004209231 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000004209234 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004209237 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004209239 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004209242 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cccc3ccccc23)cc(OC)c1 ZINC000004209244 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004209247 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004209248 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004209250 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)cc(OC)c1 ZINC000004209252 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004209271 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004209276 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004209282 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000004209286 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004209339 KK Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004209343 KK Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004209349 KK Annotated Bother COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000004209354 KK Annotated Bother COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004209359 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004209364 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004209373 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000004209380 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004209399 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000004209407 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004209413 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000004209422 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004209461 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc1 ZINC000004209470 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004209477 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1 ZINC000004209484 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004209530 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004209535 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004209540 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000004209542 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004209549 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)cc1 ZINC000004209550 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004209555 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1 ZINC000004209560 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004209800 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004209804 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004209809 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004209816 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209949 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209953 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209958 KK Annotated Bother O=C(NCc1cccc(OC(F)(F)F)c1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004209967 KK Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004210556 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004210565 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004210573 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004210580 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004210709 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004210717 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004210719 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000004210731 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OCC)ccc1OC ZINC000004210762 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OCC)ccc1OC ZINC000004210767 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OCC)ccc1OC ZINC000004210777 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OCC)ccc1OC ZINC000004210789 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004210797 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004210803 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004210813 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)ccc1OC ZINC000004210820 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004210827 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004210833 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004210842 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)ccc1OC ZINC000004210848 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004210854 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004210862 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004210869 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004210876 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004210880 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004210887 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004210894 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)ccc1OC ZINC000004210904 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004210910 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004210918 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004210925 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)cc1 ZINC000004210933 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004210979 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004210986 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004210991 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004211001 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004211008 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004211010 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004211018 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004211021 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211062 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211064 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004211067 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F ZINC000004211070 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004211117 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(OC)c(OC)cc1Br ZINC000004211126 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004211135 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000004211138 KK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211176 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211179 KK Annotated Anodyne O=C(NC[C@@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211183 KK Annotated Anodyne O=C(NC[C@H](O)c1ccccc1)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F ZINC000004211189 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004211225 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004211226 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004211227 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1OC ZINC000004211232 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004211240 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004211243 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004211248 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004211250 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004211251 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(-c3ccccc3)cc2)cc1OC ZINC000004211252 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004211253 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2F)cc1OC ZINC000004211255 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004211258 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2F)cc1OC ZINC000004211267 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004211291 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004211293 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004211297 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000004211298 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004211301 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004211306 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004211326 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004211327 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004211328 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2Br)cc1OC ZINC000004211330 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004211519 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NCCc1ccccc1F ZINC000004211520 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004211521 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004211522 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211555 KK Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211557 KK Annotated Bother O=C(NCCc1ccccc1F)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211558 KK Annotated Bother O=C(NCCc1ccccc1F)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211561 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004211581 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004211584 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004211586 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)ccc1OC ZINC000004211589 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004211604 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004211606 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004211608 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)ccc1OC ZINC000004211610 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004211618 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004211620 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004211623 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000004211626 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)ccc1OC ZINC000004211627 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)ccc1OC ZINC000004211634 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004211637 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004211640 KK Annotated Bother CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004211641 KK Annotated Bother CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC ZINC000004211643 KK Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004211661 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1OC ZINC000004211663 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004211666 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1OC ZINC000004211668 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211709 KK Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211712 KK Annotated Bother COc1ccccc1CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211714 KK Annotated Bother COc1ccccc1CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004211717 KK Annotated Bother COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004211733 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004211737 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004211742 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004211811 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004211813 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004211814 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(Br)ccc2OC)cc1OC ZINC000004211816 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004211826 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004211828 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004211829 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000004211830 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000004211844 KK Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000004211845 KK Annotated Bother COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000004211846 KK Annotated Bother COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000004211847 KK Annotated Bother COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004211848 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004211850 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004211851 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1OC ZINC000004211852 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212023 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCCN1CCCC1 ZINC000004212027 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212032 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCCN1CCCC1 ZINC000004212039 KK Annotated Anodyne COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)[C@](O)(c1ccccc1OC)CCC2(c1ccccc1)c1ccccc1 ZINC000004212790 KK Annotated Anodyne in-man CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213897 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213899 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213901 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213904 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213907 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213910 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213912 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000004213914 KK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@H](C)CC1 ZINC000004213918 KK Annotated Anodyne C#CCN1CCC2=C(C1)c1c(OC(=O)CCCN3CCCCC3)cc([C@H](C)[C@H](C)CCCCC)cc1OC2(C)C ZINC000004213921 KK Annotated Mild in-man C/C(=C\Cc1c(C)c(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004214146 KK Annotated Anodyne in-man CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214195 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214197 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214200 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214201 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214203 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214204 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214206 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214207 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214211 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214213 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214214 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214215 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214236 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214240 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214244 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214246 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214249 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214251 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1Br ZINC000004214254 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1Br ZINC000004214255 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214257 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214259 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214261 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214263 KK Annotated Anodyne COc1ccc(OCCCN(C)CCCOc2ccc3c(c2)OCO3)c([C@H]2Sc3ccccc3NC2=O)c1 ZINC000004214307 KK Annotated Anodyne in-man Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]1)C3=CC2=O ZINC000004214742 KK Annotated Mild CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214780 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214781 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214783 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214786 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214840 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004214844 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214846 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccccc1Br ZINC000004214848 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214988 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214990 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214992 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004214994 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215025 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215029 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215034 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215038 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215041 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215043 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215046 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215052 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215139 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215140 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215141 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215143 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215144 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215146 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215148 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215151 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215214 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215215 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215216 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC ZINC000004215218 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215246 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215247 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215248 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215251 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215289 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215291 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215292 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000004215294 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215498 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215501 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215502 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215504 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)C3=CC[C@@H]4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000004215539 KK Annotated Anodyne in-man CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215543 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215545 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215547 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004215549 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215667 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215668 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215670 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004215671 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215693 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215696 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215699 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000004215702 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216389 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216390 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216392 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216394 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216443 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216444 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216447 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004216449 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216650 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216651 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216655 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216658 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216661 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216663 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216667 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216672 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216675 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216677 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216681 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216686 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216717 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216719 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216724 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216727 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216729 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216731 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216735 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216738 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216742 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216746 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216749 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004216751 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216778 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216781 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216786 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216790 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216791 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216794 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216797 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216799 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216803 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216805 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216807 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216810 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216869 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216873 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216875 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216876 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216878 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216880 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216882 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004216884 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216967 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216969 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216972 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004216974 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217006 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217010 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217013 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217015 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217018 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217020 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217022 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217024 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217066 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217067 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217068 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217070 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217073 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217076 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217078 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004217081 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217104 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217106 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217109 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217110 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217140 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217142 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217145 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217146 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217148 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217150 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217153 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004217154 KK Annotated Bother CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000004229441 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000004229446 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000004229450 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000004229451 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229538 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229539 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229540 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000004229541 KK Annotated Anodyne O=C(c1cccc(F)c1)N1CCC2(CCCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC1 ZINC000004238004 KK Annotated Mild COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4cccc(c4)C[C@@H]3N(C)CC2)CC[N+]1(C)C ZINC000004245635 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273592 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273593 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273594 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2F)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273595 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273608 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273609 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273610 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273611 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273612 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273613 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273614 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000004273615 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273636 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273637 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273640 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273642 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273675 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273681 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273687 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273694 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273708 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273714 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273718 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273723 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273725 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273730 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273733 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004273737 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004273993 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004273998 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274003 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274016 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274216 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274217 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274220 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004274222 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274260 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274268 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274276 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274283 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274448 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274459 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274467 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004274476 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274570 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274572 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274574 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004274577 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274646 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274647 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274648 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004274650 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274718 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274719 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274720 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000004274722 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274806 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274807 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274809 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274810 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274849 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274850 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274851 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000004274852 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274987 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274988 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccccc1F ZINC000004274989 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCCc1ccccc1F ZINC000004274990 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274991 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004274992 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274993 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCCc1ccccc1F ZINC000004274994 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004275023 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004275024 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004275025 KK Annotated Bother CCCCCCC1=NO[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004275026 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275111 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275112 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275113 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004275114 KK Annotated Anodyne CCCC[C@H](CC)COC(=O)c1ccc(C(=O)OC[C@H](CC)CCCC)cc1C(=O)OC[C@@H](CC)CCCC ZINC000004284474 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004286110 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004286112 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004286115 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)c1 ZINC000004286117 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286381 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286388 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286396 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286405 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000004286526 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000004286534 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000004286541 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccco1)c1ccccc1 ZINC000004286548 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286596 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286601 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286606 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286612 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004286667 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004286676 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004286683 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 ZINC000004286690 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286805 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286809 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286817 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004286824 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004286952 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2N)c(OC)c1OC ZINC000004286972 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)c(OC)c1OC ZINC000004286993 KK Annotated Clean COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)c(OC)c1OC ZINC000004287017 KK Annotated Clean COc1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004287046 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)c(OC)c1OC ZINC000004287064 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004287126 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004287133 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004287140 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccccc1 ZINC000004287147 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004287161 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000004287177 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000004287195 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000004287216 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004287237 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000004287255 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000004287265 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000004287271 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000004287278 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)Cc3ccccc3OCc3ccccc3)C2)cc1 ZINC000004287285 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004287332 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004287339 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004287348 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004287355 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004287372 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000004287388 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000004287403 KK Annotated Clean CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC000004287422 KK Annotated Clean COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004291343 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000004291344 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004291345 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004291346 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004291347 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004291348 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291353 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291354 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291361 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291362 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000004291369 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000004291370 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000004291373 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000004291374 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291375 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291376 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000004291377 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000004291378 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291379 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291380 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291381 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291382 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291383 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291384 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000004291385 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000004291386 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000004291387 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000004291388 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000004291389 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000004291390 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000004291391 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)c1 ZINC000004291392 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000004291393 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCN4CCOCC4)cc32)c1 ZINC000004291394 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000004291395 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000004291396 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291399 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291400 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291407 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291408 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000004291409 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000004291410 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000004291411 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000004291412 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000004291413 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000004291414 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000004291415 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(=O)NCCN3CCOCC3)ccc1O2 ZINC000004291416 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291423 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291424 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291431 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291432 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000004291433 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000004291434 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000004291435 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000004291436 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000004291437 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(=O)NCCCN3CCCC3)ccc1O2 ZINC000004291438 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000004291443 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000004291445 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291447 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291449 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291451 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004291453 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291455 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291457 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291459 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004291461 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291463 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004291465 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000004291467 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000004291469 KK Annotated Mild COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000004291471 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000004291472 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000004291475 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000004291476 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295049 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1ccccc1F ZINC000004295050 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295051 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccccc1F ZINC000004295054 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004295177 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004295178 KK Annotated Bother CCCCCCC1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004295179 KK Annotated Bother CCCCCCC1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000004295180 KK Annotated Bother CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295337 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295343 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295347 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000004295350 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296414 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296415 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296416 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296417 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000004296443 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000004296444 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000004296445 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000004296446 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1 ZINC000004296477 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1 ZINC000004296478 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1 ZINC000004296479 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1 ZINC000004296480 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004296481 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004296482 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296483 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296484 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296485 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296486 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004296513 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004296514 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004296515 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004296516 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000004296538 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000004296539 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296540 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296541 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296542 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296543 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004296559 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004296560 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004296561 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004296562 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296563 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296564 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296565 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296566 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296570 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296571 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296572 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004296573 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000004296584 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000004296585 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1OC ZINC000004296586 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1OC ZINC000004296587 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004296640 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004296641 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004296642 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000004296643 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004296679 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004296680 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004296681 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000004296682 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004296711 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000004296712 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004296745 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000004296746 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296751 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296752 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296753 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004296754 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004296782 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000004296783 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296810 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004296811 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3ccccc3OCC)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296812 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccccc3OCC)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004296813 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004296828 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004296829 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004296830 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004296831 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1Br ZINC000004296832 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCc1ccccc1Br ZINC000004296833 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004296838 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004296839 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004296840 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000004296841 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004296854 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000004296855 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296948 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296949 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004296950 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004296951 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000004296977 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000004296978 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000004296979 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000004296980 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)c1 ZINC000004297012 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)c1 ZINC000004297013 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)c1 ZINC000004297014 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004297187 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1 ZINC000004297196 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004297278 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004297279 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004297280 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 ZINC000004297281 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004297290 KK Annotated Anodyne CN(CCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004297291 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004297292 KK Annotated Anodyne CN(CCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000004297293 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297306 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297307 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297308 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297309 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297318 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297319 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297320 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000004297321 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000004297689 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000004297692 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000004297694 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000004297695 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000004297699 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000004297700 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297731 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297733 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004297735 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000004297736 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297738 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297740 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297742 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297744 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297746 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297749 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004297754 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000004297756 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000004297764 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000004297766 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000004297767 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000004297769 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297770 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297772 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297773 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004297775 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004297777 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004297778 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004297780 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004297781 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000004297783 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000004297785 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@@H](O)CC)cc21 ZINC000004297786 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC[C@H](O)CC)cc21 ZINC000004297788 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004297790 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004297791 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004297793 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000004297794 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000004297796 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000004297797 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000004297799 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000004297800 KK Annotated Anodyne CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004297923 KK Annotated Mild CN=C(S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004297929 KK Annotated Mild CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004297990 KK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000004297994 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004298034 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004298035 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004298036 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000004298037 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004298044 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004298045 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004298046 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004298047 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004298048 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)N[C@H]3CCCCNC3=O)ccc1O2 ZINC000004298049 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000004298050 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000004298051 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004298052 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000004298054 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004298056 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1cccc(C)c1)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000004298058 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004298064 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1cccc(C)c1)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000004298066 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004298068 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N[C@@H]3CCCCNC3=O)ccc1O2 ZINC000004298070 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)NCCCN3CCCC3=O)ccc1O2 ZINC000004298074 KK Annotated Mild COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccc(C)cc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004298094 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccc(C)cc2)CC2(CCN(C(C)=O)CC2)O3)cc1OC ZINC000004298095 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298164 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298165 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298166 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298167 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298172 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298173 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298186 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298187 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298188 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298189 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298194 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298195 KK Annotated Anodyne COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000004298208 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000004298210 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=Nc1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298212 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(S)=Nc1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298214 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298216 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298218 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=Nc1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298220 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=Nc1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298222 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N\c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298224 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N\c1cccc(C)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298226 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298228 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298230 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004298232 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004298234 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298248 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298249 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298252 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298253 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298254 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298255 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298256 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298257 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298270 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298271 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298278 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298279 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004298282 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000004298283 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004298284 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000004298285 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000004298292 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000004298293 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298294 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298295 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298296 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298297 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298298 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298299 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298300 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298301 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298302 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1cccc(SC)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298303 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298304 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004298305 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004298306 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000004298307 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004298308 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000004298309 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298316 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298317 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298318 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004298319 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298320 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298321 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298322 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298323 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298324 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004298325 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)c1 ZINC000004310270 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004310271 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000004310272 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004310273 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004310274 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004310275 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)ccc1OC ZINC000004310276 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004310303 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004310304 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004310305 KK Annotated Anodyne COc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000004310306 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000004310328 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000004310329 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004310330 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc1 ZINC000004310331 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004310332 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc1 ZINC000004310333 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004310349 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004310350 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004310351 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1 ZINC000004310352 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310353 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl ZINC000004310354 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310355 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl ZINC000004310356 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310360 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310361 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310362 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)C1 ZINC000004310363 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000004310374 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000004310375 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc1OC ZINC000004310376 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2c(F)cccc2Cl)cc1OC ZINC000004310377 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004310642 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000004310643 KK Annotated Anodyne CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004310644 KK Annotated Anodyne CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000004310645 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1)OCC ZINC000004313473 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCN(C)c1ccccc1)OCC ZINC000004313477 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1)OCC ZINC000004313482 KK Annotated Anodyne CCOP(=O)(CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCN(C)c1ccccc1)OCC ZINC000004313486 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000004313694 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000004313702 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000004313711 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000004313719 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000004313985 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000004313987 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000004314029 KK Annotated Anodyne COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000004314843 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000004314860 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314886 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314910 KK Annotated Mild COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004314932 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000004314956 KK Annotated Mild CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004314981 KK Annotated Mild CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(S)=Nc1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315008 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)/C(S)=N\c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315044 KK Annotated Mild COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)/C(S)=N\c1ccc(C)c(Cl)c1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315073 KK Annotated Mild COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004315097 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000004315119 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004315141 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000004315159 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315531 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000004315539 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000004315640 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000004315668 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000004320450 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)c(OC)c2OC)c1OC ZINC000004320453 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004320515 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000004320541 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004320544 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004320546 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004320547 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccc(OC)c(OC)c3OC)c2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000004320551 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000004320561 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004320566 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004320567 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc(OC)c(OC)cc2Br)ccc1OC ZINC000004320568 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004320577 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])ccc1OC ZINC000004320578 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccc(OC)c(OC)c2OC)ccc1OC ZINC000004321559 KK Annotated Anodyne CCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004321868 KK Annotated Bother CCCCNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(OC)c(OC)cc1Br ZINC000004321870 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004325895 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)N[C@@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004325901 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004325905 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)N[C@H](CCSC)C(=O)OCC)CC1(CCN(C(C)=O)CC1)O2 ZINC000004325908 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004325912 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004325917 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004325921 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000004325927 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000004325996 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000004326005 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000004326015 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000004326024 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004326636 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004326647 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004326655 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004326666 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004326683 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004326691 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004326708 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004326713 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004326733 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004326747 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004326852 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004326859 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004326871 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004326877 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004326888 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004326902 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004326918 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004326929 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004326943 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004326950 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004326984 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004326998 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327111 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327121 KK Annotated Anodyne COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327128 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327139 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327157 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327170 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327196 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327215 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327270 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327288 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327304 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327332 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327496 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327521 KK Annotated Mild COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327542 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327547 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327557 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327574 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327587 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327596 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327610 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327620 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327638 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327641 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327699 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327706 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327711 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327714 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327717 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327722 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327727 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327735 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327739 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327746 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327754 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327757 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327806 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004327809 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327812 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327821 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327828 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327841 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327850 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327860 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327865 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327873 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327886 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004327893 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327895 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004327899 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327902 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004327908 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000004327913 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000004327918 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000004327925 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1 ZINC000004327932 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327953 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004327959 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327969 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004327974 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327983 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004327992 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004327998 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004328002 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004328015 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004328020 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004328064 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004328068 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000004332936 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000004333114 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000004333118 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000004333151 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCN(C)c3ccccc3)N(C(=O)c3ccccc3OCc3ccccc3)C2)c1 ZINC000004333160 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004334154 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004334158 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334162 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334165 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004334205 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000004334209 KK Annotated Anodyne COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004334213 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004334218 KK Annotated Mild COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004334221 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004334225 KK Annotated Mild COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004334231 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004334237 KK Annotated Mild COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334247 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334252 KK Annotated Mild COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004334256 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004334261 KK Annotated Mild COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004334279 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000004334281 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004334283 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004334286 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004334292 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004334296 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004334301 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000004334304 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334311 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334315 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004334365 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000004334366 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004334367 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000004334369 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334373 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000004334375 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004334376 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000004334377 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004334378 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000004334379 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000004334380 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCCCN4CCCC4=O)cc32)cc1 ZINC000004334381 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004334384 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004334385 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004334386 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000004334387 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004334394 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004334395 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004334396 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000004334397 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004334398 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004334399 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004334402 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000004334403 KK Annotated Anodyne COCCCN(/C(S)=N\c1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334476 KK Annotated Mild COCCCN(/C(S)=N\c1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004334478 KK Annotated Mild CC1(C)C[C@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000004337138 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000004337143 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337172 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004337177 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004337962 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004337974 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000004338394 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000004338404 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000004338442 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000004338446 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004338723 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004338729 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004347137 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004347142 KK Annotated Mild COc1ccc(CCN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347157 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347162 KK Annotated Mild COc1ccc(CN(C(=S)Nc2ccc(C)c(Cl)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004347178 KK Annotated Anodyne COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004347182 KK Annotated Mild COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347197 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347198 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004347199 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004347202 KK Annotated Anodyne COc1ccc(CCN(C(=S)Nc2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004347213 KK Annotated Anodyne COc1ccc(CCN(C(=S)Nc2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004347217 KK Annotated Anodyne COc1ccc(CCN(C(S)=Nc2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347221 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347224 KK Annotated Mild COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347226 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004347232 KK Annotated Anodyne COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004347243 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004347248 KK Annotated Mild CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004347276 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004347279 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004347280 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 ZINC000004347283 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347313 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347314 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347360 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347363 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347390 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004347393 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004353847 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004353853 KK Annotated Anodyne COCCCN(C(=S)Nc1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004353863 KK Annotated Anodyne COCCCN(C(=S)Nc1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004353873 KK Annotated Anodyne COCCCN(/C(S)=N\c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004353898 KK Annotated Mild COCCCN(/C(S)=N\c1ccc(C)c(Cl)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004353916 KK Annotated Mild Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004353987 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004353995 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004354001 KK Annotated Anodyne Cc1ccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004354007 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354176 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354181 KK Annotated Anodyne COCCCN(/C(S)=N\c1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354218 KK Annotated Mild COCCCN(/C(S)=N\c1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354225 KK Annotated Mild COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354234 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354242 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354315 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354324 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354333 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354339 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354350 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354353 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354363 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004354372 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354376 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354380 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354387 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004354397 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354614 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354619 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004354667 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004354674 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004354699 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004354704 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354841 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004354850 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004354997 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004355006 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004355036 KK Annotated Anodyne Cc1ccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1Cl ZINC000004355041 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004355059 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004355069 KK Annotated Mild COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004355168 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004355172 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355234 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355244 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004355281 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004355284 KK Annotated Anodyne COc1ccc(CCN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004355287 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004355295 KK Annotated Mild COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004355301 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000004355306 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355390 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355393 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355400 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355408 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355421 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355425 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355432 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355437 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355455 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355459 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355465 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004355473 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355486 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355493 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355565 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355572 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355646 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355650 KK Annotated Anodyne C/N=C(/S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355678 KK Annotated Mild C/N=C(/S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004355684 KK Annotated Mild COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355739 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355741 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355778 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355783 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355786 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355791 KK Annotated Mild Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000004355806 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1Cl ZINC000004355811 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004355816 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004355820 KK Annotated Anodyne COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004355830 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004355837 KK Annotated Mild COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004355841 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004355846 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(S)=Nc1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004355854 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004355858 KK Annotated Mild COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355867 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355871 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004355875 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004355881 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004355898 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000004355903 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004355921 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004355928 KK Annotated Anodyne COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355943 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355952 KK Annotated Mild COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355963 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004355969 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000004355983 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000004355986 KK Annotated Anodyne COc1ccc(CN(C(=S)Nc2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004355993 KK Annotated Anodyne COc1ccc(CN(C(=S)Nc2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004355998 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004356004 KK Annotated Anodyne COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004356009 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004356018 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(S)=Nc1cccc(C)c1)c1cc(C(N)=O)ccc1O2 ZINC000004356026 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N\c1cccc(C)c1)c1cc(C(N)=O)ccc1O2 ZINC000004356032 KK Annotated Mild COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004356040 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004356043 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356046 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356051 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356055 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356059 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356070 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356071 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356073 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356077 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004356079 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004356082 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356087 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356091 KK Annotated Anodyne CCOC(=O)[C@@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356093 KK Annotated Anodyne CCOC(=O)[C@H](CCSC)NC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 ZINC000004356096 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356432 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356440 KK Annotated Mild COCCCN(/C(S)=N\c1ccc(C)c(Cl)c1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356480 KK Annotated Mild COCCCN(C(S)=Nc1ccc(C)c(Cl)c1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356488 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004356505 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004356517 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356543 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356549 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356639 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356644 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356650 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356653 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356681 KK Annotated Anodyne COCCCN(C(=O)Nc1ccccc1-c1ccccc1)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000004356684 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356718 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356723 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356728 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356732 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356872 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004356877 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356931 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000004356935 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004356945 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004356949 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000004356952 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000004356956 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004357028 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004357032 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004357042 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004357045 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360412 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360421 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004360429 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(S)=Nc1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004360435 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360450 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(S)=Nc1ccc(C)c(Cl)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360459 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360480 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360491 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(S)=Nc1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004360501 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000004360508 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360660 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360665 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(N)=O)ccc1O2 ZINC000004360668 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(N)=O)ccc1O2 ZINC000004360672 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000004360675 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000004360677 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360680 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360684 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360689 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360692 KK Annotated Anodyne COc1ccc(CCN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360696 KK Annotated Mild COc1ccc(CCN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360702 KK Annotated Mild COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360707 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360709 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000004360711 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000004360714 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360748 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360750 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360766 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000004360769 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360841 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360846 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360880 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360884 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360911 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360915 KK Annotated Anodyne COc1ccc(CN(C(S)=Nc2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004360926 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004360933 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360946 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2ccc(C)c(Cl)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004360953 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360959 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360962 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360988 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)/C(S)=N\c1cccc(C)c1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004360995 KK Annotated Mild COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004361001 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000004361004 KK Annotated Mild COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN(CCCl)CCCl)c3)c2c1 ZINC000004367007 KK Annotated Reactive COc1ccc(CN(C(S)=Nc2cccc(C)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004380412 KK Annotated Mild COc1ccc(CN(/C(S)=N\c2cccc(C)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000004380422 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004380455 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000004380460 KK Annotated Anodyne CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(=C(Br)Br)[C@H]2SC1 ZINC000004383711 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000004391782 KK Annotated Anodyne CCOC(=O)/N=C(\N)c1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1 ZINC000004392964 KK Annotated Mild in-man O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004416935 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004416938 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004416948 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)Cc1ccccc1OCc1ccccc1 ZINC000004416957 KK Annotated Anodyne COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3c(Cl)cccc3Cl)=CN21 ZINC000004425220 KK Annotated Anodyne COc1ccccc1[C@@H]1C(C(=O)OCCN(C)C)=C(C)N=C2SC(c3ccc(Cl)cc3Cl)=CN21 ZINC000004425222 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2Cl)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425225 KK Annotated Anodyne CCC1=C(C(=O)OCCN(C)C)[C@@H](c2ccccc2OC)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425228 KK Annotated Anodyne CC1=C(C(=O)OCCN(C)C)[C@H](c2ccccc2OC(C)C)N2C=C(c3c(Cl)cccc3Cl)SC2=N1 ZINC000004425231 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)c(C)c3C=O ZINC000004429636 KK Annotated Bother CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000040163158 KK Annotated Anodyne in-man CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCCC2)c2c(c1)OC(C)(C)C1=C2C[C@@H](C)CC1 ZINC000040163160 KK Annotated Anodyne in-man CC1=CC(=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=C/[C@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000040164345 KK Annotated Mild in-man endogenous CC1=CC(=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=C/[C@@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000040164346 KK Annotated Mild in-man endogenous CC1=CC(=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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000040164347 KK Annotated Mild in-man endogenous CC1=CC(=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=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000040164348 KK Annotated Mild in-man endogenous C=CC1=C(C)C2=N[C@@H]1CC1=N[C@@H](Cc3[nH]c(c(CCC(=O)O)c3C)C[C@@H]3N=C(C2)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C ZINC000040164362 KK Annotated Anodyne in-man endogenous CC1=CC(=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=C/[C@H]1C(C)=CC(=O)CC1(C)C ZINC000040164366 KK Annotated Mild 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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164368 KK Annotated Bother 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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164369 KK Annotated Bother in-man endogenous 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@H](O)[C@](C)(O)CCC=C(C)C ZINC000040164401 KK Annotated Bother in-man endogenous 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@@H](O)[C@](C)(O)CCC=C(C)C ZINC000040164402 KK Annotated Bother in-man endogenous 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@H](O)[C@@](C)(O)CCC=C(C)C ZINC000040164403 KK Annotated Bother in-man endogenous 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@@H](O)[C@@](C)(O)CCC=C(C)C ZINC000040164404 KK Annotated Bother in-man endogenous CC1=CC=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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164406 KK Annotated Bother in-man endogenous CC1=CC=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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000040164407 KK Annotated Bother in-man endogenous CC1=CC=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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164408 KK Annotated Bother in-man endogenous CC1=CC=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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000040164409 KK Annotated Bother 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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164412 KK Annotated Bother in-man endogenous 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)CC[C@H](O)[C@](C)(O)CCC=C(C)C ZINC000040164414 KK Annotated Bother in-man endogenous 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)CC[C@@H](O)[C@](C)(O)CCC=C(C)C ZINC000040164415 KK Annotated Bother in-man endogenous 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)CC[C@H](O)[C@@](C)(O)CCC=C(C)C ZINC000040164416 KK Annotated Bother in-man endogenous 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)CC[C@@H](O)[C@@](C)(O)CCC=C(C)C ZINC000040164417 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000040164419 KK Annotated Mild CC1=CC(=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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164433 KK Annotated Mild in-man endogenous CC1=CC(=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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000040164434 KK Annotated Mild 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=C\C1=C(C)C[C@@H](O)CC1(C)C ZINC000040164437 KK Annotated Bother in-man endogenous COC1=C[C@H](O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@@H]1O ZINC000040165410 KK Annotated Anodyne in-man endogenous COC1=C[C@H](O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H]1O ZINC000040165411 KK Annotated Anodyne in-man endogenous COC1=C[C@@H](O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H]1O ZINC000040165412 KK Annotated Anodyne in-man endogenous C/C(=C\C[C@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040373965 KK Annotated Clean C/C(=C\C[C@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040373969 KK Annotated Clean C/C(=C\C[C@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040373972 KK Annotated Clean C/C(=C\C[C@]12O[C@@]1(C(F)F)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040373976 KK Annotated Clean C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040375164 KK Annotated Reactive C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040375166 KK Annotated Reactive C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040375170 KK Annotated Reactive C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040375172 KK Annotated Reactive O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(-c2ccccc2)c2ccccc2n2cnnc12 ZINC000040379156 KK Annotated Anodyne O=C(O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000040380299 KK Annotated Anodyne O=C(O[C@H](CN1CCN(C/C=C/c2ccccc2)CC1)Cn1c2ccccc2c2ccccc21)c1ccccc1 ZINC000040380300 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccccc2F)C[C@H]1N1CCc2ccccc2C1 ZINC000040380396 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccccc2F)C[C@@H]1N1CCc2ccccc2C1 ZINC000040380397 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(OC)cc2)N(c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000040391230 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(OC)cc2)N(c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000040391233 KK Annotated Anodyne CC1=NN(/C(C)=N\OC(=O)c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2OCc2ccc(F)cc2)C1 ZINC000040391300 KK Annotated Mild CC1=NN(/C(C)=N\OC(=O)c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2OCc2ccc(F)cc2)C1 ZINC000040391303 KK Annotated Mild O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000040392206 KK Annotated Reactive Fc1cc(-c2cc(-c3nnc(COc4ccccc4Cl)o3)c3ccccc3n2)c(Cl)cc1Cl ZINC000040392885 KK Annotated Anodyne Fc1cc(-c2cc(-c3nnc(COc4ccc(Cl)cc4)o3)c3ccccc3n2)c(Cl)cc1Cl ZINC000040392962 KK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040393023 KK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2C(F)(F)F)C[C@H]1N1CCc2ccccc2C1 ZINC000040393036 KK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccccc2C(F)(F)F)C[C@@H]1N1CCc2ccccc2C1 ZINC000040393037 KK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1N1CCc2ccccc2C1 ZINC000040393180 KK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1N1CCc2ccccc2C1 ZINC000040393181 KK Annotated Anodyne C[C@@H]1COc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000040393231 KK Annotated Anodyne C[C@H]1COc2c(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c(F)cc3c(=O)c(C(=O)O)cn1c23 ZINC000040393232 KK Annotated Anodyne O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccccc1Cl ZINC000040393890 KK Annotated Clean COCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040394131 KK Annotated Anodyne COCCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000040394134 KK Annotated Anodyne COCCN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040394136 KK Annotated Anodyne COCCN(C(=O)Cc1ccc(Cl)cc1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000040394138 KK Annotated Anodyne Cc1cc(-n2ccc(-c3nccs3)n2)c2[nH]c(=O)n(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2n1 ZINC000040394190 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000040394202 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000040394204 KK Annotated Anodyne CC1=NN(/C(C)=N\OC(=O)c2ccc(Cl)cc2Cl)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040394427 KK Annotated Mild CC1=NN(/C(C)=N\OC(=O)c2ccc(Cl)cc2Cl)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C1 ZINC000040394428 KK Annotated Mild CC1=C(CC[C@@H]2[C@@](C)(O)CC[C@@H]3OC(C)(C)C(=O)CC[C@]32C)[C@@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O ZINC000040394523 KK Annotated Mild CCCC[C@@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040394541 KK Annotated Anodyne CCCC[C@H](C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)s1 ZINC000040394542 KK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C ZINC000040394743 KK Annotated Anodyne Cc1nc(C(F)(F)F)c(Br)c(O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040394809 KK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(Br)cc2)cc1 ZINC000040395256 KK Annotated Reactive CC(C)(C)c1nc(NCC(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1 ZINC000040395268 KK Annotated Anodyne C/C(=N/OC(=O)c1ccccc1[N+](=O)[O-])N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccccc1F ZINC000040395373 KK Annotated Mild C/C(=N/OC(=O)c1ccccc1[N+](=O)[O-])N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccccc1F ZINC000040395374 KK Annotated Mild COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc(Br)cc2)cc1 ZINC000040395604 KK Annotated Reactive Cc1ccccc1Nc1nc2ccc(CC(=O)N3C[C@@H](F)C[C@H]3COC3CCC(C(=O)O)CC3)cc2o1 ZINC000040401111 KK Annotated Anodyne C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1O ZINC000040401585 KK Annotated Reactive COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3F)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000040404049 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3F)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000040404052 KK Annotated Anodyne Clc1ccc2[nH]c3c[n+](Cc4cccc(C[n+]5ccc6c(c5)[nH]c5ccc(Cl)cc56)c4)ccc3c2c1 ZINC000040404322 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040405009 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040405012 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040405015 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c(OC(C)=O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040405018 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040405798 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040405801 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040405804 KK Annotated Anodyne COc1ccc(/C=C/C(=N\c2nnc(SCc3ccc(Cl)cc3)s2)c2ccc(Cl)cc2)cc1 ZINC000040406058 KK Annotated Mild CCCCCC(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000040406336 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(-c4ccco4)cc3)C[C@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040406538 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(-c4ccco4)cc3)C[C@@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000040406541 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040407236 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000040407239 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040407242 KK Annotated Anodyne COc1ccccc1-n1nc(-c2cc(OC)c(OC)c(OC)c2)c2nc(-c3ccc(Cl)cc3)nnc21 ZINC000040407626 KK Annotated Anodyne COc1cc(-c2c3c(n4c2-c2cc(OC)c(OC)c(O)c2CC4)COc2cc(O)c(OC)cc2-3)ccc1O ZINC000040408988 KK Annotated Anodyne N=C(CCCCCCCCCCCC/C(N)=N\OC(=O)Nc1ccccc1)NOC(=O)Nc1ccccc1 ZINC000040412141 KK Annotated Mild Cc1ccccc1-n1c(-c2sc(Nc3ccc(Cl)cc3)nc2-c2ccccc2)nc2ccccc2c1=O ZINC000040412608 KK Annotated Anodyne CN1C[C@@H](c2ccc(Cl)cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000040413384 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000040413943 KK Annotated Anodyne COc1ccc([C@@H]2CN(C)[C@@]3(C(=O)c4cccc5cccc3c45)[C@]23CCc2c([nH]c4ccccc24)C3=O)cc1 ZINC000040420264 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000040420581 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]23C)O1 ZINC000040421566 KK Annotated Anodyne Cc1cc(-n2ccc(-c3nccs3)n2)c2nc(C)n(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2n1 ZINC000040421794 KK Annotated Anodyne O=C1O[C@H](O)C(c2cccc(-c3csc4ccccc34)c2)=C1c1cccc(-c2csc3ccccc23)c1 ZINC000040421909 KK Annotated Anodyne O=C1O[C@@H](O)C(c2cccc(-c3csc4ccccc34)c2)=C1c1cccc(-c2csc3ccccc23)c1 ZINC000040421911 KK Annotated Anodyne C=CC(=O)Nc1cc2c(Cc3cccc(Br)c3)ncnc2cc1SCCCN(CC)CC ZINC000040422124 KK Annotated Anodyne Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040422134 KK Annotated Mild Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040422136 KK Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC1(CCC1)C2 ZINC000040422140 KK Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC1(CCC1)C2 ZINC000040422142 KK Annotated Mild CSc1ccc(Cc2nnc3sc(-c4ccc(-c5cc(Cl)c(Cl)cc5Cl)o4)nn23)cc1 ZINC000040422144 KK Annotated Anodyne Cc1[nH]n(C2CCCCC2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040422170 KK Annotated Mild Cc1[nH]n(C2CCCCC2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040422172 KK Annotated Mild Cc1ccc(-n2[nH]c(C)c([C@@]3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)cc1 ZINC000040422351 KK Annotated Mild Cc1ccc(-n2[nH]c(C)c([C@]3(C(F)(F)F)C(=O)N(c4ccccc4)C4=C3C(=O)CC(C)(C)C4)c2=O)cc1 ZINC000040422353 KK Annotated Mild CN1C(=O)[C@@]2(c3ccccc31)N(C(c1ccccc1)c1ccccc1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000040422607 KK Annotated Anodyne CN1C(=O)[C@]2(c3ccccc31)N(C(c1ccccc1)c1ccccc1)C(=O)C2(c1ccccc1)c1ccccc1 ZINC000040422609 KK Annotated Anodyne COCCCn1c(NC(=O)c2cccc(Br)c2)nc2cc(CN(C)C3CCCCC3)ccc21 ZINC000040423635 KK Annotated Anodyne COCCCn1c(NC(=O)c2ccc(C(F)(F)F)cc2)nc2cc(CN(C)C3CCCCC3)ccc21 ZINC000040423783 KK Annotated Anodyne CCOCCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1 ZINC000040424163 KK Annotated Anodyne CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000040424319 KK Annotated Anodyne Fc1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)c(F)c1 ZINC000040424959 KK Annotated Anodyne O=C(c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1)N1CCCCC1 ZINC000040425026 KK Annotated Anodyne C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@@H](C(C)(C)O)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000040425250 KK Annotated Reactive CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(S(=O)(=O)c3ccccc3)cc21 ZINC000040425313 KK Annotated Anodyne CN1C[C@H](c2cccc(F)c2)[C@]2(CCC/C(=C\c3cccc(F)c3)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000040425437 KK Annotated Mild Cc1ccc(/C=C2\CCC[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)CN(C)[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000040428750 KK Annotated Mild CC(C)C(=O)NC1CCN(c2cnc(-c3ccc(C(F)(F)F)cc3)c(-c3ccncc3Cl)n2)CC1 ZINC000040429308 KK Annotated Anodyne CN(c1ccc2c(c1)nc(Cc1ccc3c(c1)CCO3)n2CC1CCCCC1)S(=O)(=O)c1ccccc1 ZINC000040431092 KK Annotated Anodyne Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(CN(C)C5CCCCC5)ccc4n3CC(C)(C)O)s2)o1 ZINC000040431175 KK Annotated Anodyne COc1c(C2([C@@H]3CC(=O)O[C@H]3O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)SCCCS2)ccc2c1OCO2 ZINC000040440533 KK Annotated Anodyne C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000040441876 KK Annotated Clean C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040441877 KK Annotated Clean C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000040441878 KK Annotated Clean C/C(=C\C[C@]1(C)C(=O)c2ccccc2C(=O)[C@]1(O)CF)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000040441879 KK Annotated Clean CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447661 KK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447662 KK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040447675 KK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040447676 KK Annotated Reactive CCCCc1ccc(SCC2=NC(C)=C(C#N)[C@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 ZINC000040447708 KK Annotated Reactive CCCCc1ccc(SCC2=NC(C)=C(C#N)[C@@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 ZINC000040447709 KK Annotated Reactive CCOC(=O)Nc1ccc(C(=O)CCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)cc1 ZINC000040465505 KK Annotated Anodyne CCCC[N+](CCCC)(CCCC)Cc1ccc(-c2ccc(C[N+](CCCC)(CCCC)CCCC)cc2)cc1 ZINC000040480395 KK Annotated Bother CN(CCCCCCN1CCCCC1)CCSSCCN(C)CCCCCCN1CCCCC1 ZINC000040506262 KK Annotated Reactive COC(=O)C/C=C/C1=CO[C@]23CC[C@H]1[C@@]2(C)C[C@@H](OC(C)=O)[C@H]1[C@H]3CC[C@@H]2C[C@@H](OC(C)=O)CC[C@]12C ZINC000040510712 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000040533527 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000040533529 KK Annotated Mild CCCCOP(=O)(OCCCC)[C@H](Nc1nc2c(C)cccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000040564437 KK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](Nc1nc2c(C)cccc2s1)c1ccc(C(F)(F)F)cc1 ZINC000040564441 KK Annotated Anodyne CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)Oc1ccc(O)c(C=O)c1 ZINC000040565152 KK Annotated Anodyne COc1cc(C2SCCS2)cc(Br)c1Oc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000040565394 KK Annotated Bother COc1ccc2c(c1)Oc1cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000040566990 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc1[C@]21OC(=O)c2ccccc21 ZINC000040566991 KK Annotated Anodyne COc1cc(-n2cnc3cc(-c4ccc(C(F)(F)F)cc4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040567637 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OS(=O)(=O)c3ccc(C)cc3)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000040568346 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OS(=O)(=O)c3ccc(C)cc3)ccc1[C@]21OC(=O)c2ccccc21 ZINC000040568348 KK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1C(=O)OC ZINC000040576576 KK Annotated Anodyne CCOC[C@H]1C[C@@](CC(C)C)(C(=O)O)N(C(=O)c2ccc(C(C)(C)C)c(OC)c2)[C@H]1c1nccs1 ZINC000040576912 KK Annotated Anodyne CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1cccc(C(=O)OC)c1 ZINC000040576992 KK Annotated Anodyne O=C(O[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2 ZINC000040592286 KK Annotated Anodyne CCCN1C[C@H]2SC(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cc3)=C(Cl)[C@H]2C1 ZINC000040602130 KK Annotated Anodyne O=C1/C(=C/c2cn(Cc3ccccc3Br)c3ccc(Br)cc23)N2CCC1CC2 ZINC000040602727 KK Annotated Mild COC(=O)C[C@]1(C)[C@@H]2CC[C@]3(C)C(=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]34)[C@]2(C)CC[C@H]1C(C)(C)C(=O)OC ZINC000040614177 KK Annotated Anodyne COC(=O)C[C@@]1(C)[C@@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@H]21 ZINC000040614178 KK Annotated Anodyne COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@H]21 ZINC000040614179 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@H]2[C@@]1(C)CC(=O)O ZINC000040616201 KK Annotated Anodyne COC(=O)C(C)(C)[C@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@H]2[C@@]1(C)CC(=O)O ZINC000040616202 KK Annotated Anodyne COC(=O)C(C)(C)[C@@H]1CC[C@@]2(C)C3=CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@H]4[C@]3(C)CC[C@@H]2[C@@]1(C)CC(=O)O ZINC000040616203 KK Annotated Anodyne N[C@H](CO)[C@H](O)/C=C/CCCCCCCCCCNC(=O)c1ccc2ccc3cccc4ccc1c2c34 ZINC000040617221 KK Annotated Bother C1=Nc2ccccc2NC=C(CCC[n+]2ccccc2)C=Nc2ccccc2NC=C1CCC[n+]1ccccc1 ZINC000040619725 KK Annotated Anodyne C[C@]1(c2cccc(CC(=O)O)c2)c2cc(C(=O)O)sc2C(=O)c2c1c1ccccc1n2Cc1ccccc1 ZINC000040632353 KK Annotated Anodyne C[C@@]1(c2cccc(CC(=O)O)c2)c2cc(C(=O)O)sc2C(=O)c2c1c1ccccc1n2Cc1ccccc1 ZINC000040632355 KK Annotated Anodyne CCOc1cc(OCCBr)c2c(=O)c(OCC)c(-c3ccc(OCC)c(OCC)c3)oc2c1 ZINC000040640627 KK Annotated Reactive C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040646189 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000040646191 KK Annotated Mild S=c1[nH]ncn1[C@@H]1O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000040651523 KK Annotated Anodyne CC(C)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000040651527 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCCCCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000040651569 KK Annotated Anodyne CCC[C@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000040651574 KK Annotated Anodyne in-vitro CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\C)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000040651576 KK Annotated Anodyne CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040663183 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040663185 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040663186 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040663188 KK Annotated Reactive CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040669896 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040669899 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040669991 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000040669994 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000040676497 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc2c(c1)OCO2 ZINC000040676501 KK Annotated Anodyne CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040685287 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040685289 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000040685292 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000040685295 KK Annotated Reactive CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)C=C2COc1ccccc1C(F)(F)F ZINC000040753524 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C(=S)SCCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000040762734 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@@H](c4cccc(Br)c4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040763314 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3O[C@H](c4cccc(Br)c4)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000040763315 KK Annotated Mild CC(C)NCCCN(CCCCN(CCCN)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000040763475 KK Annotated Anodyne COc1cc(/C=C(\C#N)c2ccccn2)cc(-c2cc(/C=C(\C#N)c3ccccn3)cc(OC)c2O)c1O ZINC000040786387 KK Annotated Reactive COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)N[C@H]2c2ccccc2C)c2ncccc2c1 ZINC000040789637 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)N[C@@H]2c2ccccc2C)c2ncccc2c1 ZINC000040789639 KK Annotated Anodyne CCOC(=O)N[C@@H](c1cccs1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000040791326 KK Annotated Anodyne CCOC(=O)N[C@@H](c1cccs1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000040791327 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000040801509 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000040801512 KK Annotated Anodyne CCN(CC)CCOc1ccc(N(C(=O)Nc2c(Cl)cccc2Cl)c2cc(NC)ncn2)cc1 ZINC000040812739 KK 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)Cc1ccc(Cl)cc1Cl ZINC000040818729 KK Annotated Anodyne COc1cc(-n2cnc3cc(-c4ccc(Cl)c(Cl)c4)sc3c2=O)ccc1OCCN1CCCC1 ZINC000040828210 KK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040836272 KK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040836274 KK Annotated Anodyne COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)/C(=C(C)/C=C/C=C(C)/C=C/C=C(\C)C(=O)O)C(=O)C[C@H]32)C1(C)C ZINC000040846892 KK Annotated Mild CCOc1cc(F)c(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847354 KK Annotated Anodyne CCOc1cc(F)c(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847356 KK Annotated Anodyne CCCOc1cc(F)c(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847358 KK Annotated Anodyne CCCOc1cc(F)c(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000040847360 KK Annotated Anodyne Cc1nc(C(C)C)n(C2C[C@@H]3CC[C@H](C2)N3CC[C@H](NC(=O)C2CCC(F)(F)CC2)c2ccccc2)n1 ZINC000040848233 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccccc2)C[C@H]1N1CCc2ccccc2C1 ZINC000040848273 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccccc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000040848274 KK Annotated Anodyne CCOc1cc(F)c(C[C@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F ZINC000040849029 KK Annotated Anodyne CCOc1cc(F)c(C[C@@H](CC)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1F ZINC000040849031 KK Annotated Anodyne CCc1ccccc1[C@@H]1CC(c2cccc(Br)c2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040849148 KK Annotated Anodyne CCc1ccccc1[C@H]1CC(c2cccc(Br)c2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000040849150 KK Annotated Anodyne COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc(-c2cnc([C@@H](C)/C=C/C=C/C(C)C)s2)n1)OC ZINC000040860484 KK Annotated Anodyne CC(C)OCc1nc(Nc2ccc(C(F)(F)F)nc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1 ZINC000040860651 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(N3CCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000040860986 KK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(Br)c1 ZINC000040861239 KK Annotated Anodyne CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@]2(CCCNC2)C1 ZINC000040863505 KK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@]2(CCCNC2)C1 ZINC000040863507 KK Annotated Anodyne CCCC[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@@]2(CCCNC2)C1 ZINC000040863509 KK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC[C@@]2(CCCNC2)C1 ZINC000040863512 KK Annotated Anodyne CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc(O)c(I)c3)cc2)CCC1(C)C ZINC000040864071 KK Annotated Anodyne O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c2cccc(-c3cccc(O)c3)c21 ZINC000040864306 KK Annotated Anodyne CN[C@@H](C)C(=O)Nc1ccc(Oc2ccc(OC)cc2)c(C(=O)NCc2csc(-c3cccs3)n2)c1 ZINC000040865145 KK Annotated Anodyne CCN(C(=O)Oc1ccc(Cl)cc1)C1CCN([C@@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040865897 KK Annotated Anodyne CCN(C(=O)Oc1ccc(Cl)cc1)C1CCN([C@H](C)C[C@H](NC(=O)C2CCC2)c2ccccc2)CC1 ZINC000040865899 KK Annotated Anodyne CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000040866575 KK Annotated Anodyne CCOC(=O)/N=C(\NC(C)C)c1ccc(-c2ccc(-c3ccc(/C(=N/C(=O)OCC)NC(C)C)cc3)o2)cc1 ZINC000040866971 KK Annotated Mild CC1=C(CC[C@H]2[C@](C)(O)CC[C@H]3OC(C)(C)C(=O)CC[C@@]32C)[C@]2(C)CCC(=O)C(C)(C)C2=C(O)C1=O ZINC000040867318 KK Annotated Mild COc1cc2cc(c1OC)Oc1ccc(cc1)CCc1ccc(OC)c(OC)c1Oc1cccc(c1)CC2 ZINC000040873129 KK Annotated Anodyne Cc1cc(Cl)ccc1OCc1nnc(-c2cc(-c3cc(F)c(Cl)cc3Cl)nc3ccccc23)o1 ZINC000040873612 KK Annotated Anodyne Cc1cc(OCc2nnc(-c3cc(-c4cc(F)c(Cl)cc4Cl)nc4ccccc34)o2)ccc1Cl ZINC000040873614 KK Annotated Anodyne CC(C)c1onc(CCc2ccccc2)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000040874778 KK Annotated Anodyne CC(C)(C)c1nc(-c2ccc(F)cc2)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1 ZINC000040874924 KK Annotated Anodyne Cc1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000040875713 KK Annotated Anodyne CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1F ZINC000040875806 KK Annotated Mild CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1F ZINC000040875809 KK Annotated Mild O=C(OCc1cccc(C(F)(F)F)c1)c1cc(CO)cc(C(=O)OCc2cccc(C(F)(F)F)c2)c1 ZINC000040876493 KK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000040877174 KK Annotated Reactive CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000040878686 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000040878690 KK Annotated Anodyne O=C(O)CCCCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc(-c2ccc3ccccc3c2)[nH]1 ZINC000040879071 KK Annotated Bother Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)[C@H]2n2ccnc2)c(Cl)c1 ZINC000040880524 KK Annotated Anodyne CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Oc2ccccc2)cc1Cl ZINC000040881271 KK Annotated Mild CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Oc2ccccc2)cc1Cl ZINC000040881275 KK Annotated Mild C#CCSc1cnc2ccccc2c1SCC#CCSc1c(SCC#C)cnc2ccccc12 ZINC000040891581 KK Annotated Mild CNCCCOc1cc(F)c(-c2c(Cl)nc(-c3ccccn3)nc2N[C@@H](C)C(F)(F)F)c(F)c1 ZINC000040891765 KK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000040892636 KK Annotated Anodyne Cc1cccc(-c2ccccc2[C@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)c1 ZINC000040892640 KK Annotated Anodyne Cc1cccc(-c2ccccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)c1 ZINC000040892642 KK Annotated Anodyne Cc1cc([C@@](N)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2C)ccc1Cl ZINC000040893045 KK Annotated Anodyne COc1ccc(-c2c3c(n4c2-c2cc(OC)c(OC)cc2CC4)COc2cc(O)c(OC)cc2-3)cc1O ZINC000040894563 KK Annotated Anodyne [N-]=[N+]=NCc1cc(CN2C(=O)CN(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc(N=[N+]=[N-])c1 ZINC000040895686 KK Annotated Mild CCOC(=O)/C(=C/C=C/c1ccccc1)C(=O)Oc1c(C2SCCS2)ccc2c1C=CC(C)(C)O2 ZINC000040897188 KK Annotated Anodyne CC(C)(C#N)c1ccc(CC[C@]2(C3CCCC3)CC(=O)[C@H](Cc3cn4ccccc4n3)C(=O)O2)cc1F ZINC000040897918 KK Annotated Mild CC(C)(C#N)c1ccc(CC[C@@]2(C3CCCC3)CC(=O)[C@H](Cc3cn4ccccc4n3)C(=O)O2)cc1F ZINC000040897921 KK Annotated Mild COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(OCc4ccccc4)c(Br)cc32)c1 ZINC000040898137 KK Annotated Anodyne COc1cc(OC)cc([C@@H]2C3=C(COC3=O)Nc3cc(OCc4ccccc4)c(Br)cc32)c1 ZINC000040898140 KK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccccc1Br ZINC000040898177 KK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1ccc(Br)cc1 ZINC000040898488 KK Annotated Anodyne Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2nccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040898658 KK Annotated Anodyne Cc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000040898757 KK Annotated Bother CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000040899419 KK Annotated Mild COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccccc1)C(=O)Nc1cccc2cccnc12 ZINC000040900290 KK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1Cl ZINC000040900309 KK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1Cl ZINC000040900314 KK Annotated Anodyne C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@@H]1c1ccccc1Cl ZINC000040900317 KK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 ZINC000040900601 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 ZINC000040900605 KK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 ZINC000040900608 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(C(=O)O)cc2)cc1 ZINC000040900611 KK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C(=O)O)c2)cc1 ZINC000040900675 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C(=O)O)c2)cc1 ZINC000040900678 KK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C(=O)O)c2)cc1 ZINC000040900681 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(C(=O)O)c2)cc1 ZINC000040900684 KK Annotated Clean COc1cc2c(cc1OCCCCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000040913383 KK Annotated Mild Clc1ccc2[nH]c3c[n+](Cc4ccc(C[n+]5ccc6c(c5)[nH]c5ccc(Cl)cc56)cc4)ccc3c2c1 ZINC000040913390 KK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccc(-c3ccco3)cc2)C[C@H]1N1CCc2ccccc2C1 ZINC000040914160 KK Annotated Anodyne Cc1oc(-c2ccccc2F)nc1N1N=C(c2ccc(-c3ccco3)cc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000040914162 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccnc3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000040914220 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccnc3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000040914222 KK Annotated Mild Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](NCc2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000040914545 KK Annotated Anodyne CC(=O)O[C@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)[C@@H](OC(C)=O)O1 ZINC000040914760 KK Annotated Anodyne CC(=O)O[C@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]32C)[C@@H](OC(C)=O)O1 ZINC000040914762 KK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@@]23C)[C@@H](OC(C)=O)O1 ZINC000040914763 KK Annotated Anodyne CC(=O)O[C@@H]1OC(=O)C=C1[C@H]1C[C@@H]2[C@H](CC[C@@H]3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]32C)[C@@H](OC(C)=O)O1 ZINC000040914764 KK Annotated Anodyne Cc1[nH]nc(OCC(=O)Nc2ccc(C#CC(C)(C)CO)cc2Cl)c1-c1ccc(C(C)(C)C)cc1Cl ZINC000040915244 KK Annotated Mild O=C1CS[C@@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040915939 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040915941 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3F)C[C@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000040916616 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3F)C[C@@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000040916618 KK Annotated Anodyne Clc1ccc2[nH]c3c[n+](CCCCCCCC[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000040916669 KK Annotated Anodyne COc1cccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccc(Cl)cc4)nnc32)c1 ZINC000040916922 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000040916975 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000040916977 KK Annotated Anodyne CCSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1C)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040917199 KK Annotated Anodyne CCO[C@]1(CC)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1 ZINC000040917454 KK Annotated Anodyne COc1ccc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2ccc(Cl)cc2)cc1 ZINC000040917972 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3F)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000040917999 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3F)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000040918000 KK Annotated Anodyne CCn1c(SC)nc2nc3c(c(-c4ccc(Cl)cc4)c2c1=O)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918486 KK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)OCC12CC3CC(CC(C3)C1)C2 ZINC000040918524 KK Annotated Anodyne COc1cc(COC(=O)c2ccccc2)c(-c2ccccc2COC(=O)c2ccccc2)c(OC)c1OC ZINC000040918642 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](Cl)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918644 KK Annotated Reactive CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](Cl)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918645 KK Annotated Reactive CCSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1CC)CCC/C3=C/c1ccc(Cl)cc1 ZINC000040918646 KK Annotated Anodyne COc1cc(-c2nn(-c3ccc(Cl)cc3)c3nnc(-c4ccc(Cl)cc4)nc23)cc(OC)c1OC ZINC000040918665 KK Annotated Anodyne CN(C)CCCn1c(-c2cncc(-c3cc4cc(O)ccc4n3CCCN(C)C)c2)cc2cc(O)ccc21 ZINC000040918847 KK Annotated Anodyne COc1ccc(-n2nc(-c3cc(OC)c(OC)c(OC)c3)c3nc(-c4ccc(Cl)cc4)nnc32)cc1 ZINC000040918898 KK Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040918929 KK Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000040918930 KK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCCC/C=C\CC#CC(=O)O ZINC000040919189 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCC/C=C\CCCCCCCCCCCC/C=C\CC#CC(=O)O ZINC000040919190 KK Annotated Mild Cc1c(-c2nnc(C3CCCCCC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000040919214 KK Annotated Anodyne O=C1CC2(CCN(C(=O)N3c4ccccc4Oc4ccccc43)CC2)Oc2ccc(N3CCCC3=O)cc21 ZINC000040934271 KK Annotated Anodyne CC(C)C[C@@H]1C2=C(O[C@@H](C3=C(O)C(C)(C)C(=O)C(C)(C)C3=O)[C@H]1C(C)C)C(C)(C)C(=O)C(C)(C)C2=O ZINC000040934766 KK Annotated Mild O=c1c2ccccc2nc(-c2sc(Nc3ccc(Cl)cc3)nc2-c2ccccc2)n1-c1ccccc1 ZINC000040937058 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccs3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000040937456 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccs3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000040937458 KK Annotated Mild C[C@@H](O[C@H]1CN(C2=CC(=O)CC2)C[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000040937629 KK Annotated Mild C[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000040938313 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 ZINC000040939289 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000040939677 KK Annotated Anodyne CC1(C)OC2=C(C(=O)c3ccccc3C2=O)[C@H]2c3cc(Br)cc(Br)c3OC[C@H]21 ZINC000040939716 KK Annotated Mild CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(NC(=O)CCC(=O)OCC)cccn12 ZINC000040939865 KK Annotated Anodyne c1ccc(CCO/C(=N\c2ccccc2)SS/C(=N/c2ccccc2)OCCc2ccccc2)cc1 ZINC000040939869 KK Annotated Reactive O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(c1ccc(F)cc1)c1ccccc1S2(=O)=O ZINC000040940211 KK Annotated Anodyne CC(C)=CC[C@]12C[C@@H]3[C@H](C=C(C)C)[C@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000040940427 KK Annotated Anodyne CC(C)CCc1cc(N(Cc2cccc3ccccc23)C(=O)OC(C)(C)C)nc(NCc2ccccc2)n1 ZINC000040949445 KK Annotated Anodyne CC(C)c1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040949554 KK Annotated Mild CC(C)c1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040949556 KK Annotated Mild O=C(c1ccccc1)N1CCC(c2nc3c(Nc4ccc(Cl)c(Cl)c4)nc4ccccc4c3[nH]2)CC1 ZINC000040949983 KK Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccc(-c3ccccc3)cc2)=CC(=O)C[C@H]1C ZINC000040950128 KK Annotated Mild C=CC(=O)O[C@@H](Cc1ccccc1)CN1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000040951394 KK Annotated Anodyne Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040951831 KK Annotated Mild Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(C2CCCCC2)C2=C1C(=O)CC(C)(C)C2 ZINC000040951833 KK Annotated Mild CCc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040951872 KK Annotated Mild CCc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 ZINC000040951874 KK Annotated Mild Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2cncs2)c(-c2ccccc2)c1 ZINC000040952506 KK Annotated Anodyne Cc1ccccc1-c1cccc(CN2CCC3(CC2)C(NC2CCCCC2)=NC(=O)N3c2cccc(F)c2)c1 ZINC000040953874 KK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1cc(Cl)ccc1N2c1ccc(Cl)c(Cl)c1 ZINC000040954539 KK Annotated Anodyne CCOC(=O)c1sc2c(c1N)S(=O)(=O)c1ccc(Cl)cc1N2c1ccc(Cl)c(Cl)c1 ZINC000040956193 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(C)ccc2F)C1 ZINC000040957695 KK Annotated Anodyne N#Cc1c(F)c(F)c(-n2cc(C(=O)OCc3ccccc3)c(=O)c3cc(F)c(F)c(F)c32)c(F)c1F ZINC000040957853 KK Annotated Mild CN(C)CCN1C(=O)c2c(c3c4cc(OCc5ccccc5)ccc4[nH]c3c3[nH]c4ccncc4c23)C1=O ZINC000040972556 KK Annotated Bother CN(C)CCN1C(=O)c2c(c3c4cnccc4[nH]c3c3[nH]c4cc(OCc5ccccc5)ccc4c23)C1=O ZINC000040972630 KK Annotated Bother CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Sc3ccccc3)ccc21 ZINC000040973110 KK Annotated Anodyne CC(C)c1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000040973809 KK Annotated Anodyne Cn1c(=O)[nH]c2nccc(Oc3ccc(NC(=O)c4cccc(SC(F)(F)F)c4)c4ccccc34)c21 ZINC000040973836 KK Annotated Anodyne Clc1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000040974812 KK Annotated Anodyne Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@@H](CC(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000040975364 KK Annotated Anodyne Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@H](CC(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000040975366 KK Annotated Anodyne CCCCC1(CCCC)OC(c2ccc(Cl)cc2Cl)=NN1C(=O)NC(=O)c1ccccc1Cl ZINC000040975562 KK Annotated Anodyne CCc1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000040976128 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(F)cc(Cl)c2)C1 ZINC000040976788 KK Annotated Anodyne O/C(=N\c1ccccc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(/C(O)=N/c3ccccc3)cc2)cc1 ZINC000040976982 KK Annotated Mild Cc1ccccc1/C=C1\CCC[C@@]2(C1=O)[C@@H](c1ccccc1C)CN(C)[C@@]21C(=O)c2cccc3cccc1c23 ZINC000040977083 KK Annotated Mild CCCCC1(CCCC)OC(c2ccc(Cl)cc2Cl)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000040979994 KK Annotated Anodyne CCCCCCCN=c1ccn(CCCCCCCCCCCCn2ccc(=NCCCCCCC)cc2)cc1 ZINC000042764626 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000042764888 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)OCc1cc(=O)c(OC(=O)C(C)(C)C)co1 ZINC000042765201 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]1O)n1ccnc1 ZINC000042784525 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)C[C@H]1O)n1ccnc1 ZINC000042784526 KK Annotated Mild CCCCCCCCN1C(=O)NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C1=O ZINC000042784529 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(C)=O ZINC000042784531 KK Annotated Mild CCCCCCCCCCCCCCCCOC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(C)=O ZINC000042784532 KK Annotated Mild C[C@@H](NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(F)(F)F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000042784604 KK Annotated Mild CCc1sc(CCc2cc(N3CCOCC3)cc(N[C@H](C)c3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C ZINC000042797762 KK Annotated Anodyne Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4cn3)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12 ZINC000042802678 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5CC)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042802802 KK Annotated Mild C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000042802829 KK Annotated Anodyne COc1cccc2c1c(-c1c3c4c(cc5c(c4c4cccc(OC)c14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1 ZINC000042802894 KK Annotated Bother in-vitro COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(Br)cc1)C(C)(C)O2 ZINC000042802948 KK Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)S1)c1ccc(C)cc1 ZINC000042803121 KK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)S1)c1ccc(C)cc1 ZINC000042803126 KK Annotated Mild CC1=C2O[C@]34OC(C)(C)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000042803134 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c2c(c3oc4c(c(=O)c3c1O)C[C@@H]1c3c(c(O)cc(O)c3-4)OC1(C)C)C=CC(C)(C)O2 ZINC000042803156 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c2c(c3oc4c(c(=O)c3c1O)C[C@H]1c3c(c(O)cc(O)c3-4)OC1(C)C)C=CC(C)(C)O2 ZINC000042803161 KK Annotated Anodyne COc1cc2c(cc1OC/C=C\COCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000042803185 KK Annotated Mild C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/CCCCCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000042803226 KK Annotated Mild O=C1O[C@H](O)C(c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)=C1c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000042803315 KK Annotated Anodyne O=C1O[C@@H](O)C(c2cccc(-c3ccc(Oc4ccccc4)cc3)c2)=C1c1cccc(-c2ccc(Oc3ccccc3)cc2)c1 ZINC000042803320 KK Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3cccc([N+](=O)[O-])c3)s1)n2CCC(N)=O ZINC000042803429 KK Annotated Bother O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccc(O)cc56)[C@@H]1CC4)[C@H]23 ZINC000042803504 KK Annotated Anodyne Cc1cccc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)n1 ZINC000042803519 KK Annotated Mild Cc1cccc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OCc3ccccc3)cc2F)n1 ZINC000042803524 KK Annotated Mild O=C(NCCCN1CCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042803584 KK Annotated Anodyne O=C(NCCN1CCCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042803634 KK Annotated Anodyne CC(=O)Oc1cc2c(cc1OC(C)=O)-c1oc3c(CC=C(C)C)c4c(c(OC(C)=O)c3c(=O)c1[C@@H](C=C(C)C)O2)C=CC(C)(C)O4 ZINC000042803918 KK Annotated Anodyne CC(=O)Oc1cc2c(cc1OC(C)=O)-c1oc3c(CC=C(C)C)c4c(c(OC(C)=O)c3c(=O)c1[C@H](C=C(C)C)O2)C=CC(C)(C)O4 ZINC000042803922 KK Annotated Anodyne CCOC(=O)CCC[C@@H]1C[C@H]2C[C@](/C=C/c3ccccc3)(Oc3cc4c(c(O)c32)C(=O)C[C@@H](c2ccccc2)O4)O1 ZINC000042803926 KK Annotated Anodyne FC(F)(F)c1cc(N[C@H](c2ccc(Cl)cc2)c2ccc(CN3CCCC3)cc2)c2cccc(C(F)(F)F)c2n1 ZINC000042803935 KK Annotated Anodyne FC(F)(F)c1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc(CN3CCCC3)cc2)c2cccc(C(F)(F)F)c2n1 ZINC000042803940 KK Annotated Anodyne CCO[C@H]1[C@@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1 ZINC000042804146 KK Annotated Anodyne CCO[C@H]1[C@H](C(=O)[C@H]2[C@@H](/C(C)=C/[C@@H](C)CC)C(C)=C[C@@]3(C)C[C@@H](C)CC[C@H]23)C(=O)N[C@@]1(O)Cc1ccc(O)cc1 ZINC000042804155 KK Annotated Anodyne O=C1CCCN2[C@H]3[C@@]45C=C(c6nccc7c6[nH]c6ccccc67)[C@@H]6CCN(CCCC/C=C\CC4)C[C@@]63C[C@@]2(CC1)O5 ZINC000042804180 KK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000042804226 KK Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)c2ccc(-c3cc(-c4cccnc4)nn3CCc3ccccc3)s2)cc1 ZINC000042804289 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)c2ccc(-c3cc(-c4cccnc4)nn3CCc3ccccc3)s2)cc1 ZINC000042804294 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(C)(C)O2 ZINC000042804332 KK Annotated Bother COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(O)c4oc5c6c(cc(OC)c5ooc4c31)CCN(C)[C@H]6C2 ZINC000042804349 KK Annotated Bother COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc(O)c5c(=O)cc(C)oc5c4c3OC)c2c1 ZINC000042804389 KK Annotated Bother in-vitro COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC[C@@]5(COC(C)=O)[C@@H](CCC(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000042804499 KK Annotated Anodyne Nc1nc(-c2c[nH]c3nccc(Oc4ccc(NC(=O)NC(=O)Cc5ccc(F)cc5)cc4F)c23)cs1 ZINC000042804545 KK Annotated Anodyne COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NC(C)C)c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1 ZINC000042804770 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(C)(C)O2 ZINC000042804846 KK Annotated Bother CN[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC3=CC[C@]12C)CC[C@H](NC(=O)c1ccccc1)[C@@]4(C)C=O ZINC000042804883 KK Annotated Mild Cc1ccccc1-c1cc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)ccc1-c1nc2ccccc2s1 ZINC000042804899 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(-c4ccco4)cc3)C[C@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000042804927 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(-c4ccco4)cc3)C[C@@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000042804932 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN[C@@H]4C2)CCN1C ZINC000042804937 KK Annotated Anodyne CC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@@](C)(O)[C@H](O)CCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 ZINC000042805012 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(OC)cc(O)c([C@@H](c3ccc(O)cc3)[C@@H](C)[C@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000042805109 KK Annotated Anodyne COc1ccccc1/C=C/c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000042805171 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000042805209 KK Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)C3=C2OC(C)(C)[C@H]2COc4ccc5ccccc5c4[C@@H]32)[C@@H]2c3c(ccc4ccccc34)OC[C@@H]21 ZINC000042805214 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cscn1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042805267 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cscn1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042805273 KK Annotated Mild CCNC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)[nH]1 ZINC000042805301 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c1cc(/C=C/c2ccccc2)nc(NCc2cccc3ccccc23)n1 ZINC000042805306 KK Annotated Anodyne COC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)[C@@]1(C)CC2 ZINC000042805345 KK Annotated Anodyne in-vitro CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000042805359 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCCCC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1 ZINC000042805391 KK Annotated Anodyne CC(=O)N[C@H]1CC[C@H]2[C@@H]3NC(=O)C=C4C[C@@H](OC(=O)c5ccc(C)c(N(CCCl)CCCl)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000042805401 KK Annotated Reactive 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(Cc3ccccc3)[C@H]1[C@H]2C ZINC000042805424 KK Annotated Mild CCCCC1(CCCC)OC(c2cc(OC)c(OC)c(OC)c2)=NN1C(=O)NC(=O)c1c(F)cccc1F ZINC000042805466 KK Annotated Anodyne CC[C@H]1CCCN(CCc2c3n(c4ccccc24)[C@@](CO)(c2[nH]c4ccccc4c2CCN2CCC[C@@H](CC)C2)CC[C@H]3CO)C1 ZINC000042805515 KK Annotated Anodyne CC[C@H]1CCCN(CCc2c([C@@]3(CO)CC[C@@H](CO)c4c(CCN5CCC[C@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000042805521 KK Annotated Anodyne CCN(CCCC(=O)N[C@@H](CC(N)=O)c1ccc(C)cc1)c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000042805606 KK Annotated Anodyne CCN(CCCC(=O)N[C@H](CC(N)=O)c1ccc(C)cc1)c1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000042805611 KK Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)CC[C@H](C)Nc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805628 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)CC[C@H](C)Nc2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000042805633 KK Annotated Anodyne Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)c(C)o1 ZINC000042805645 KK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C[C@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@](O)(CO)CC[C@H]21 ZINC000042805650 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C[C@@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@](O)(CO)CC[C@H]21 ZINC000042805655 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C[C@H](O)C3=CC(=O)O[C@H]3OC(=O)/C=C/c3ccccc3)[C@](O)(CO)CC[C@H]21 ZINC000042805661 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C[C@@H](O)C3=CC(=O)O[C@H]3OC(=O)/C=C/c3ccccc3)[C@](O)(CO)CC[C@H]21 ZINC000042805666 KK Annotated Anodyne CC(C)[C@]1(O)C(=O)[C@@H]2C3=C(CC[C@H]4C(C)(C)CCC[C@]34C)[C@H]1[C@H]1[C@](O)(C(C)C)C(=O)C=C3[C@@]4(C)CCCC(C)(C)[C@@H]4CC[C@]321 ZINC000042805715 KK Annotated Mild [O-][n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000042805876 KK Annotated Anodyne C1=C[C@]23C[C@]45CN6CCCC/C=C\CC[C@@](C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]4CC6)(O2)[C@@H]5N3CCCC1 ZINC000042805896 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CN)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000042805922 KK Annotated Mild O=C([C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccc(Oc2ccccc2)cc1)N1CCC(c2ccc(F)cc2)CC1 ZINC000042805954 KK Annotated Anodyne CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000042806014 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](OC(C)=O)c3c(cc(OC)c4c(=O)c5cc6ccccc6cc5n(C)c34)OC2(C)C)cc1 ZINC000042806032 KK Annotated Bother CC(=O)O[C@@H](CC=C(C)C)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@@H](OC(C)=O)CC[C@]21C ZINC000042806101 KK Annotated Mild CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000042806147 KK Annotated Anodyne COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)C1=O)[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@]1(C)CC3 ZINC000042806197 KK Annotated Anodyne COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)C1=O)[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CC3 ZINC000042806203 KK Annotated Anodyne COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)C1=O)[C@]1(C)CC[C@H]([C@H](C)CC[C@H](O)C(C)(C)O)[C@@]1(C)CC3 ZINC000042806216 KK Annotated Anodyne COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1C[C@]2(C)C3=C(CC[C@H]2C(C)(C)C1=O)[C@]1(C)CC[C@H]([C@H](C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CC3 ZINC000042806221 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000042806278 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CNC(Cc2cc(OC)c(OC)c(OC)c2)=N1 ZINC000042806311 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cccc(F)n1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042806315 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cccc(F)n1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042806320 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)O2 ZINC000042806336 KK Annotated Bother C=C[C@]1(C)C[C@@H](OC(=O)Cn2cc(CCCc3ccccc3)nn2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000042806341 KK Annotated Mild COc1cc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C2=O)C4=O)ccc1O ZINC000042806348 KK Annotated Mild COc1cc2ccnc3c2cc1Oc1cc(ccc1O)C[C@H]1c2c(cc(OC)c(c2O)OCc2ccc(cc2)C3)CCN1C ZINC000042806405 KK Annotated Clean Cc1cccc(-n2nc(C(=O)N(c3ccccc3)c3ccccc3)cc2C)c1C(=O)N1Cc2ccccc2C[C@@H]1CO ZINC000042806474 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5ccc(F)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042806478 KK Annotated Mild Cc1cc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)no1 ZINC000042806551 KK Annotated Mild Cc1cc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OCc3ccccc3)cc2F)no1 ZINC000042806556 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(C)(C)O2 ZINC000042806587 KK Annotated Bother Clc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c[nH]c3ccccc23)cc1 ZINC000042806592 KK Annotated Mild CC(C)[C@H]1C(=O)Nc2ccc(NCCCN(C)C)cc2-c2nc3cc(C(=O)N4CCN(c5ccc(F)cc5)CC4)ccc3n21 ZINC000042806644 KK Annotated Anodyne C=C(C)[C@@H](C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000042806661 KK Annotated Mild C=C(C)[C@H](C)CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000042806666 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#CC(=O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000042806672 KK Annotated Mild O=C1c2cccc3cccc(c23)[C@]12N[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCC/C(=C\c2ccccc2)C1=O ZINC000042806721 KK Annotated Mild O=C1CC[C@H]2C[C@]34CN5CCCC/C=C\CC[C@@]6(C=C(c7nccc8c7[nH]c7ccccc78)[C@@H]3CC5)O[C@H](CC1)N2[C@@H]64 ZINC000042806732 KK Annotated Anodyne Clc1ccc2[nH]c3c[n+](Cc4ccc(-c5ccc(C[n+]6ccc7c(c6)[nH]c6ccc(Cl)cc67)cc5)cc4)ccc3c2c1 ZINC000042806794 KK Annotated Anodyne CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000042806812 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OCOC)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000042806816 KK Annotated Mild COc1ccc(CCC(=O)c2c(OC)cc(O)c([C@H](c3ccc(O)cc3)[C@@H](C)[C@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000042806850 KK Annotated Anodyne COc1ccc2c(c1OC)[C@@H](C[C@@]1(C)C=Cc3c(c4cccc(OC)c4n(C)c3=O)O1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000042806939 KK Annotated Anodyne in-man COc1ccc2c(c1OC)[C@@H](C[C@]1(C)C=Cc3c(c4cccc(OC)c4n(C)c3=O)O1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000042806945 KK Annotated Anodyne in-man COc1ccc2c(c1OC)[C@H](C[C@@]1(C)C=Cc3c(c4cccc(OC)c4n(C)c3=O)O1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000042806950 KK Annotated Anodyne in-man biogenic COc1ccc2c(c1OC)[C@H](C[C@]1(C)C=Cc3c(c4cccc(OC)c4n(C)c3=O)O1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000042806955 KK Annotated Anodyne in-man N#Cc1ccc(/N=C(\O)c2cc[n+](CCCCCCCCCC[n+]3ccc(/C(O)=N/c4ccc(C#N)cc4)cc3)cc2)cc1 ZINC000042806985 KK Annotated Mild COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(Nc1ccc4ccccc4c1)=CC3=O)C2=O ZINC000042807068 KK Annotated Mild O[C@H]1/C=C/C[C@]2(O)C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@H]21 ZINC000042807160 KK Annotated Anodyne CCOC(=O)CCC[C@@H]1C[C@H]2C[C@](/C=C/c3ccccc3)(Oc3cc4c(c(O)c32)C(=O)C[C@H](c2ccccc2)O4)O1 ZINC000042807233 KK Annotated Anodyne CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1 ZINC000042807415 KK Annotated Anodyne COC(=O)[C@@H]1[C@@H](c2ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c2)c2c(cc(OC)c(OC)c2OC)C[C@H]1CO ZINC000042807480 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C/CCCC/C=C/CCCCC#C[C@@H](O)C#CCCCCCCCC[C@H](O)C#C ZINC000042807535 KK Annotated Mild C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccc(O)cc6)C(C)(C)[C@@H]5C[C@H](O)[C@]43C)[C@@H]2[C@H]1C(=O)O ZINC000042807744 KK Annotated Anodyne CCOP(=O)(OCC)C(O)(CCCCCCn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(OCC)OCC ZINC000042807769 KK Annotated Anodyne C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042807774 KK Annotated Reactive C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042807781 KK Annotated Reactive C=C(c1ccc(Oc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042807786 KK Annotated Reactive COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)cc1 ZINC000042807923 KK Annotated Bother COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)cc1 ZINC000042807928 KK Annotated Bother COc1ccc2c(c1)CN([C@@H]1CC(c3ccc(-c4ccco4)cc3)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042808017 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccc(-c4ccco4)cc3)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042808022 KK Annotated Anodyne CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000042808114 KK Annotated Anodyne CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C[C@@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000042808119 KK Annotated Anodyne CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C[C@H](O)C1=CC(=O)O[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000042808122 KK Annotated Anodyne CC(=O)OC[C@]1(O)CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C[C@@H](O)C1=CC(=O)O[C@H]1OC(=O)/C=C/c1ccccc1 ZINC000042808126 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)C[C@H]1C[C@H](O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000042808131 KK Annotated Mild CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@H]2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CC[C@]4(O)C(=C3)C=CC(=O)OC4(C)C)[C@]12C ZINC000042808179 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)C[C@H]1C[C@@H](O)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000042808346 KK Annotated Mild C=C[C@@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](/C=C3\c4[nH]c5ccccc5c4CN4CC[C@H]3/C(=C\C)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000042808486 KK Annotated Anodyne C=C[C@H]1CN(C)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](/C=C3\c4[nH]c5ccccc5c4CN4CC[C@H]3/C(=C\C)C4)C[C@@H]1[C@H]2C(=O)OC ZINC000042808491 KK Annotated Mild COc1ccc2c(c1)CN([C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042808517 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042808522 KK Annotated Anodyne CC(=O)OC[C@@]1(COS(=O)(=O)O)C(=O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)CC(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000042808546 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]24CN(C)[C@@H](C)[C@H]2CC[C@@H]34)C1 ZINC000042808570 KK Annotated Anodyne CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000042808672 KK Annotated Bother C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000042808698 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)N(C)C)CC[C@@]23C)CC2=C[C@@H](O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC000042808852 KK Annotated Anodyne CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000042808971 KK Annotated Anodyne C=C1CC[C@@H]([C@H]2C[C@H]3C(C)(C)CCC[C@]3(C)c3cc(O)c(C(C)C)cc32)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000042809051 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccco1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042809081 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccco1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042809086 KK Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 ZINC000042833758 KK Annotated Mild C/C(=C\Cc1cc(O)ccc1O)CCC[C@@H](C)[C@@H](C[C@@H]1CCC[C@H]2C(C)(C)CCC[C@@]12C)OS(=O)(=O)O ZINC000042833777 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](NC(=O)c6ccccc6)CCC(=CC3=CC[C@]2(C)[C@H]1[C@H](C)N(C)C)[C@@H]45 ZINC000042833811 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000042833821 KK Annotated Mild COc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Nc1ccc(N(CCCl)CCCl)cc1 ZINC000042833839 KK Annotated Reactive CCc1[nH]c2ccccc2c1C(=N/c1nc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)co1)/N=N/c1ccc(OC)cc1 ZINC000042833849 KK Annotated Mild Cc1ccc([C@@H](CC(N)=O)NC(=O)[C@H]2C[C@H](c3cc(-c4cccnc4)nn3-c3ccc(Cl)c(Cl)c3)C2(C)C)cc1 ZINC000042833900 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)[C@H]2C[C@H](c3cc(-c4cccnc4)nn3-c3ccc(Cl)c(Cl)c3)C2(C)C)cc1 ZINC000042833902 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC)c3)=C1O)C2=O ZINC000042834001 KK Annotated Mild COc1cc2c(cc1OC/C=C/COCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000042834012 KK Annotated Mild CC(C)[C@@H]1CC[C@]2(CO[C@@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000042834016 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(CO[C@@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000042834017 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(CO[C@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000042834019 KK Annotated Anodyne CC(C)[C@@H]1CC[C@]2(CO[C@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000042834021 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN[C@@H]4C2)CCN1C ZINC000042834027 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN=C3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000042834058 KK Annotated Anodyne COc1ccc2c(c1OC)[C@H](CC1=C[C@H]3[C@H](C(C)C)CC[C@@](C)(OC)[C@@H]3CC1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000042834072 KK Annotated Anodyne CN1C[C@H](c2ccc(Cl)cc2Cl)[C@]2(CCC/C(=C\c3ccc(Cl)cc3Cl)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000042834076 KK Annotated Mild O=c1[nH]nc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000042834134 KK Annotated Anodyne COc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4cccc5c(NCCN(C)C)ccc(c45)C3=O)c(OC)c2)ccc1N ZINC000042834153 KK Annotated Anodyne CO[C@]12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@]34[C@H](C1)[C@](C)(CO)O[C@]4(CC=C(C)C)C2=O)C(C)(C)[C@@H](C)O5 ZINC000042834171 KK Annotated Mild COc1ccc2c(-c3c4c5c(cc6c(c5c5cc(OC)ccc35)OCO6)CCN4)c3c4c(cc5c(c4c2c1)OCO5)CCN3 ZINC000042834199 KK Annotated Bother in-vitro COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(\C=O)CC/C=C(\C)CC/C=C(\C)C3)cc3c(c12)OCO3 ZINC000042834223 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000042834242 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@](C)(O)C(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000042834252 KK Annotated Mild CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)[C@]3(O)C[C@]12CO3 ZINC000042834254 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3(O)[C@H](OC(C)=O)C[C@@]21C)C(C)C ZINC000042834256 KK Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H]1O ZINC000042834284 KK Annotated Mild COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(\C)CC/C=C(\C)C3)cc3c(c12)OCO3 ZINC000042834286 KK Annotated Reactive in-vitro biogenic c1cc2cc(c1)C[n+]1ccn(c1)Cc1cc3ccccc3nc1Oc1ccccc1Oc1nc3ccccc3cc1Cn1cc[n+](c1)C2 ZINC000042834312 KK Annotated Anodyne C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/C(=O)C#C ZINC000042834329 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/C(=O)C#C ZINC000042834331 KK Annotated Mild CCC(=O)OC[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1OC(=O)CC)C3(C)C ZINC000042834340 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5CC)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042834406 KK Annotated Mild N[C@@H](Cn1c(=O)c(-c2ccc(COC(=O)C3CC3)cc2)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000042834513 KK Annotated Anodyne C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCc3ccccc3)CN(CCCc3ccccc3)C2)C1=O ZINC000042834519 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000042834527 KK Annotated Anodyne S=c1n(CN2CCN(Cn3nc(-c4ccncc4)n(-c4ccccc4)c3=S)CC2)nc(-c2ccncc2)n1-c1ccccc1 ZINC000042834556 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)c3ccc(O)c(OC)c3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000042834559 KK Annotated Anodyne in-vitro biogenic CO[C@@]1(C)CO[C@@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000042834561 KK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](CO)(COS(=O)(=O)O)C(=O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000042834571 KK Annotated Anodyne COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)[C@@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000042834608 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)[C@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000042834610 KK Annotated Mild c1cc2nc(c1)C[n+]1ccn(c1)Cc1cc3ccccc3nc1Oc1ccccc1Oc1nc3ccccc3cc1Cn1cc[n+](c1)C2 ZINC000042834624 KK Annotated Anodyne O=C1CCCN2[C@H]3[C@@]45C=C(c6nccc7c6[nH]c6ccc(O)cc67)[C@@H]6CCN(CCCC/C=C\CC4)C[C@@]63C[C@@]2(CC1)O5 ZINC000042834640 KK Annotated Anodyne C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCN3CCC(c4ccccc4)CC3)nn2)O1 ZINC000042834649 KK Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](COCc2ccccc2)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 ZINC000042834652 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](COCc2ccccc2)[C@@H](O)[C@@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)O1 ZINC000042834654 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](COCc2ccccc2)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000042834656 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)CCC(=O)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 ZINC000042834671 KK Annotated Anodyne O=C1C(C2=C3c4ccccc4N[C@H]3/C(=C\c3ccc(O)cc3)C2=O)=C2C(=Nc3ccccc32)/C1=C\c1ccc(O)cc1 ZINC000042834693 KK Annotated Mild O=C1C(C2=C3c4ccccc4N[C@@H]3/C(=C\c3ccc(O)cc3)C2=O)=C2C(=Nc3ccccc32)/C1=C\c1ccc(O)cc1 ZINC000042834695 KK Annotated Mild O=[N+]([O-])c1ccc(/N=C(\O)c2cc[n+](CCCCCCCCCC[n+]3ccc(/C(O)=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000042834697 KK Annotated Mild Cc1cc(Cl)c(OCCOc2ncc(C3=C(C(=O)N(Cc4cccc(C)c4C)C4CC4)[C@H]4CNC[C@@H](C3)N4)s2)c(Cl)c1 ZINC000042834705 KK Annotated Anodyne CCN(C(=O)CCCOc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1)[C@@H](CC(N)=O)c1ccc(C)cc1 ZINC000042834717 KK Annotated Anodyne CCN(C(=O)CCCOc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1)[C@H](CC(N)=O)c1ccc(C)cc1 ZINC000042834719 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)CC[C@@]2(C)CCC[C@H]2C(C)(C)O[C@@H]3CC(=O)O[C@]23CC1=O ZINC000042834723 KK Annotated Anodyne O=C1/C(=C/c2ccccc2Cl)CCC[C@]12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000042834727 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5-c5ccc(OC)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042834729 KK Annotated Mild COC(=O)[C@]1(C)[C@@H](OS(=O)(=O)O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000042834747 KK Annotated Anodyne O=C(Nc1ncnc2ncn([C@H]3C=C(F)C(=O)[C@@H](COC(c4ccccc4)(c4ccccc4)c4ccccc4)O3)c12)c1ccccc1 ZINC000042834765 KK Annotated Mild CCCCCc1cc(OC(=O)c2c(O)cc(OC(=O)c3c(O)cc(O)cc3CCC)cc2CCC)cc(O)c1C(=O)O ZINC000042834769 KK Annotated Anodyne in-vitro CC(=O)O[C@@H]1C[C@H]2[C@@H]([C@H](O)C=C3C[C@@H](O)CC[C@@]32CO)[C@@H]2CC[C@H]([C@H](C)[C@H]3C[C@]3(C)[C@H](C)C(C)C)[C@]21C ZINC000042834789 KK Annotated Anodyne C[C@H](CC(=O)[C@H](C)[C@@H](C)C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3 ZINC000042834809 KK Annotated Anodyne C[C@H](C(=O)O)[C@@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3 ZINC000042834811 KK Annotated Anodyne CCO[C@@H](/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000042834815 KK Annotated Mild CCO[C@H](/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000042834817 KK Annotated Mild CC1=C[C@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000042834827 KK Annotated Anodyne COc1ccc2c(c1OC)[C@@H](CC1=C[C@H]3[C@H](C(C)C)CC[C@](C)(OC)[C@@H]3CC1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000042834877 KK Annotated Anodyne C/C(=N/NC(N)=S)c1sc2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n2c1C)CCC/C4=C/c1ccc(Cl)cc1 ZINC000042834915 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ncn[nH]1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042834937 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ncn[nH]1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042834939 KK Annotated Mild COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@H]4[C@H](C)C[C@]5(C[C@@H](C)C(=O)O5)O[C@@H]4C[C@@]1(C)[C@@H]3CC[C@H]2C(C)(C)O ZINC000042834947 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OCOC)C(C)(C)[C@@H]1CC3)C(C)C ZINC000042834973 KK Annotated Mild CCc1[nH]c2ccccc2c1C(=N/c1nc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)co1)/N=N/c1ccc(Cl)cc1 ZINC000042834976 KK Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCOc1ccc(C(=O)N3CCCC3)cc1)C2 ZINC000042834979 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN[C@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000042834995 KK Annotated Anodyne Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)co1 ZINC000042835002 KK Annotated Mild Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OCc3ccccc3)cc2F)co1 ZINC000042835004 KK Annotated Mild CCC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c(c(C)c3CC)C=C3c4ccccc4C(=C2)C3(OC)OC)C(CC)=C1CC ZINC000042835027 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000042835029 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3C(F)(F)F)C[C@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000042835041 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3C(F)(F)F)C[C@@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000042835043 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@]1(C)O ZINC000042835057 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000042835077 KK Annotated Mild CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)/C=C/[C@H]1[C@H](C)[C@@H](O)CCC1(C)C ZINC000042835093 KK Annotated Anodyne CC(=O)N[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(=O)c5ccc(C)c(N(CCCl)CCCl)c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000042835095 KK Annotated Reactive COc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3c(C)cccc23)c1 ZINC000042835112 KK Annotated Reactive CC1(C)CCC[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]4[C@@H](OC(=O)CC(C)(C)C(=O)O)C[C@]23C)O1 ZINC000042835144 KK Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)[C@@H]2CCCN(Cc3cc(-c4cccnc4)nn3-c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000042835155 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)[C@@H]2CCCN(Cc3cc(-c4cccnc4)nn3-c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000042835157 KK Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)[C@H]2CCCN(Cc3cc(-c4cccnc4)nn3-c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000042835159 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)[C@H]2CCCN(Cc3cc(-c4cccnc4)nn3-c3ccc(Cl)c(Cl)c3)C2)cc1 ZINC000042835161 KK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](N2CCCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000042835174 KK Annotated Anodyne C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000042835198 KK Annotated Reactive C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000042835201 KK Annotated Reactive C=C(c1ccc(OCCCOc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000042835205 KK Annotated Reactive ClCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000042835219 KK Annotated Reactive CC(C)(O)[C@H](O)CC[C@@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]([C@@]3(C)CC[C@@H]4OC(C)(C)[C@H](Br)CC[C@@]4(C)O3)O2)O1 ZINC000042835221 KK Annotated Reactive CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C ZINC000042835225 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000042835231 KK Annotated Mild COc1ccc(F)cc1CC[C@@H]1CC[C@H](CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1 ZINC000042835245 KK Annotated Anodyne COc1ccc(F)cc1CC[C@H]1CC[C@H](CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1 ZINC000042835248 KK Annotated Anodyne COc1ccc(F)cc1CC[C@@H]1CC[C@@H](CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1 ZINC000042835251 KK Annotated Anodyne COc1ccc(F)cc1CC[C@H]1CC[C@@H](CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1 ZINC000042835254 KK Annotated Anodyne COc1cc(/C=N/Nc2nncc3ccccc23)cc(-c2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1O ZINC000042835262 KK Annotated Mild COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000042835264 KK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000042835266 KK Annotated Anodyne O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@]34CC[C@@H](CCCN3[C@@H]21)O4 ZINC000042835278 KK Annotated Anodyne COc1ccc2c(c1)OC[C@H]1Oc3cc(O)ccc3[C@@H](c3cc([C@@H]4COc5cc(O)ccc5C4)ccc3OC)[C@@]21O ZINC000042835288 KK Annotated Anodyne COc1ccc2c(c1)OC[C@H]1Oc3cc(O)ccc3[C@H](c3cc([C@@H]4COc5cc(O)ccc5C4)ccc3OC)[C@@]21O ZINC000042835290 KK Annotated Anodyne COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(c4O)OCc4ccc(cc4)C[C@H]3NCC2)CCN1C ZINC000042835292 KK Annotated Clean COc1cc2c3cc1Oc1cc(ccc1O)C[C@H]1c4c(cc(OC)c(c4O)OCc4ccc(cc4)C[C@@H]3NCC2)CCN1C ZINC000042835294 KK Annotated Clean O=C1/C(=C/c2ccc(F)cc2)CCC[C@]12[C@@H](c1ccc(F)cc1)[C@@H]1CCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000042835302 KK Annotated Mild CO[C@@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@H]4CC=C6C[C@@H](c7ccccc7)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000042835320 KK Annotated Anodyne Cc1cccc(-c2cc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)c1C ZINC000042835324 KK Annotated Anodyne Clc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)co2)c2c[nH]c3ccccc23)cc1 ZINC000042835335 KK Annotated Mild Cc1ccccc1/C=C1\CCC[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@H](c1ccccc1)N[C@@]21C(=O)c2cccc3cccc1c23 ZINC000042835341 KK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000042835376 KK Annotated Anodyne CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)[C@@H](O)[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000042835378 KK Annotated Mild COc1ccc(Nc2cc3c(c(Nc4ccc(OC)cc4)c2C(C)C)C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)C3)cc1 ZINC000042835380 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@@H]2OC(=O)C(C)=C[C@H]2O)[C@@]2(C)CCC3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C ZINC000042835394 KK Annotated Anodyne in-vitro Cc1[nH]c2ccccc2c1C(=N/c1nc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cs1)/N=N/c1ccc(Cl)cc1 ZINC000042835396 KK Annotated Mild CCc1[nH]c2ccccc2c1C(=N/c1nc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cs1)/N=N/c1ccc(Cl)cc1 ZINC000042835401 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5-c5ccccc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042835442 KK Annotated Mild COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(F)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000042835463 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(F)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000042835465 KK Annotated Clean CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cccc(Cl)n1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042835471 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cccc(Cl)n1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042835473 KK Annotated Mild Cn1ccc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21 ZINC000042835481 KK Annotated Anodyne COC(=O)[C@@]1(O)C[C@@]2(C)[C@@H](C(=O)C[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000042835541 KK Annotated Anodyne CC(C)C1=CC2=C[C@H]3Oc4c(c(C(C)C)cc5c4[C@]4(C)CCCC(C)(C)C4=CC5=O)O[C@]34C(C)(C)CCC[C@@]4(C)C2=C(O)C1=O ZINC000042835543 KK Annotated Mild in-vitro biogenic O[C@@H]1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@@H]1CC4)[C@H]23 ZINC000042835583 KK Annotated Anodyne CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1 ZINC000042835633 KK Annotated Anodyne Oc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@@]4(C6)C[C@@]67CC[C@@H](CCCN6[C@@H]54)O7)nccc3c2c1 ZINC000042835647 KK Annotated Anodyne Clc1ccc(/C=C/C(=N\c2nnc(SCc3ccc(Cl)cc3)s2)c2ccc(Cl)cc2)cc1 ZINC000042835677 KK Annotated Mild Fc1ccc(N2N=C(c3ccc(Cl)cc3Cl)[C@@H](n3ccnc3)[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000042835688 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(C)=O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000042835733 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(C)=O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000042835735 KK Annotated Anodyne COc1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)O[C@H](C)C4(C)C ZINC000042835737 KK Annotated Bother COc1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)O[C@@H](C)C4(C)C ZINC000042835739 KK Annotated Bother Fc1ccc(N2N=C(c3ccc(Br)cc3)[C@H](n3ccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000042835752 KK Annotated Anodyne C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@@H]1C(=C)C=O ZINC000042835787 KK Annotated Reactive COCCOCCN1C[C@@H](C)C[C@H]2O[C@]3(CC[C@@H]4C(=C(C)C3)C[C@H]3[C@H]4CCC4=CC(=O)CC[C@@]43C)[C@H](C)[C@@H]21 ZINC000042835796 KK Annotated Mild CC[C@H](C)/C=C(\C)[C@H]1C(C)=C[C@@]2(C)C[C@@H](C)CC[C@@H]2[C@H]1C(=O)[C@@H]1C(=O)N[C@@]2(Cc3ccc(O)cc3)OC(C)(C)O[C@H]12 ZINC000042835804 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H](OC(C)=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]12C ZINC000042835828 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5ccc(Cl)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042835853 KK Annotated Mild COc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)co2)c2c(C)[nH]c3ccccc23)cc1 ZINC000042835887 KK Annotated Mild O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000042835892 KK Annotated Anodyne CN1C[C@H](c2cccc3ccccc23)[C@]2(CCC/C(=C\c3cccc4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000042850728 KK Annotated Mild C=C(C)[C@H](OC(C)=O)[C@H](C[C@@H](C)C1=C2C[C@H](OC(C)=O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(C)=O ZINC000042850734 KK Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(-c4ccccc4)cc3)nn2)O1 ZINC000042850811 KK Annotated Mild COc1ccc(C[C@H]2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CCN2C)cc1-c1cc(C=O)ccc1O ZINC000042850828 KK Annotated Anodyne O=S(=O)(c1ccc(Nc2ncnc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1)N1CCCC1 ZINC000042850903 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(C)=O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccc(O)cc2)C[C@H]1C ZINC000042850945 KK Annotated Anodyne C/C(=C\C=C\[C@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4cc5c(cc34)C3=CC(C)(C)OC(C)(C)[C@H]3C5)[C@@]12C)C(=O)O ZINC000042850957 KK Annotated Anodyne CC(C)=CCC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000042850980 KK Annotated Anodyne CN1C/C(=C\c2cccs2)C(=O)[C@]2(C1)[C@@H](c1cccs1)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000042851005 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5ccccc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000042851033 KK Annotated Mild CC(C)(C)CN1CCCC[C@@H]1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000042851057 KK Annotated Anodyne CC(C)(C)CN1CCCC[C@H]1CNc1nc(Oc2cccc3[nH]c(=O)c(N)nc23)cc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000042851060 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cccnc1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042851068 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1cccnc1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042851071 KK Annotated Mild O=C(NCCN1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000042851074 KK Annotated Anodyne COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc5c(c4Oc4ccc(cc4)C[C@@H]3N(C(C)=O)CC2)OCO5)CCN1C ZINC000042851097 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OCOC)[C@H](OCOC)C(C)(C)[C@@H]1CC3)C(C)C ZINC000042851106 KK Annotated Mild CCC(C#N)(CC)c1ccc(CC[C@]2(C3CCCC3)CC(=O)[C@@H](Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1F ZINC000042851157 KK Annotated Mild CCC(C#N)(CC)c1ccc(CC[C@@]2(C3CCCC3)CC(=O)[C@@H](Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1F ZINC000042851160 KK Annotated Mild COc1cc(-c2c3c(n4c2-c2cc(OC)c(OC)c(OC)c2CC4)COc2cc(OC(C)=O)c(OC)cc2-3)ccc1OC(C)=O ZINC000042851174 KK Annotated Anodyne C/C(=C\c1ccccc1)c1ccc(C(=O)Nc2nc3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1 ZINC000042851177 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000042851183 KK Annotated Anodyne Cc1ccc(/C=C2\CCC[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000042851190 KK Annotated Mild Cc1cc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)nn1C ZINC000042851253 KK Annotated Mild Cc1cc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OCc3ccccc3)cc2F)nn1C ZINC000042851256 KK Annotated Mild Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)[C@]23C(=O)N(C)c2ccccc23)cc1 ZINC000042851274 KK Annotated Anodyne Cc1ccc(C2(c3ccc(C)cc3)C(=O)N(C(c3ccccc3)c3ccccc3)[C@@]23C(=O)N(C)c2ccccc23)cc1 ZINC000042851277 KK Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccc(C(F)(F)F)cc3)s1)n2CCC(N)=O ZINC000042851311 KK Annotated Anodyne Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OCc3ccccc3)cc2F)c(C)o1 ZINC000042851409 KK Annotated Mild CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)CCC(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000042851415 KK Annotated Anodyne COCCN(CCC(=O)N[C@H](CC(N)=O)c1ccc(C)cc1)Cc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000042851424 KK Annotated Anodyne COCCN(CCC(=O)N[C@@H](CC(N)=O)c1ccc(C)cc1)Cc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000042851427 KK Annotated Anodyne CC#CCSc1cnc2ccccc2c1SCC#CCSc1c(SCC#CC)cnc2ccccc12 ZINC000042851455 KK Annotated Mild Cc1[nH]c2ccccc2c1C(=N/c1nc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)co1)/N=N/c1ccc(Cl)cc1 ZINC000042851470 KK Annotated Mild [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000042851486 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccncc1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042851513 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccncc1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000042851516 KK Annotated Mild CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12CO ZINC000042851613 KK Annotated Anodyne C[C@@H]1N[C@H](CCCCCCCCCCc2cc(CCCCCCCCC[C@@H]3CC[C@H](O)[C@H](C)N3)c[n+]3c2C=CC3)CC[C@@H]1O ZINC000042851715 KK Annotated Anodyne COC(=O)[C@]1(C)[C@@H](OS(=O)(=O)O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000042851775 KK Annotated Anodyne CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)c2ccccc2n2nnnc12 ZINC000042851799 KK Annotated Anodyne C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)c2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042851858 KK Annotated Reactive C=C(c1cccc(Oc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)c1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042851861 KK Annotated Reactive C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042851866 KK Annotated Reactive C=C(c1ccc(Oc2cccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000042851869 KK Annotated Reactive COC(=O)[C@@H]1[C@@H](OS(=O)(=O)O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC(=O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000042851873 KK Annotated Anodyne CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1Cl ZINC000042851897 KK Annotated Mild CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1Cl ZINC000042851900 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000042852063 KK Annotated Bother in-vitro biogenic CC(=O)Oc1cc2c(cc1OC(C)=O)-c1oc3c(CC=C(C)C)c4c(c(O)c3c(=O)c1[C@@H](C=C(C)C)O2)C=CC(C)(C)O4 ZINC000042852072 KK Annotated Anodyne CC(=O)Oc1cc2c(cc1OC(C)=O)-c1oc3c(CC=C(C)C)c4c(c(O)c3c(=O)c1[C@H](C=C(C)C)O2)C=CC(C)(C)O4 ZINC000042852075 KK Annotated Anodyne CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Oc2ccccc2Br)cc1Cl ZINC000042852136 KK Annotated Mild CC(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Oc2ccccc2Br)cc1Cl ZINC000042852139 KK Annotated Mild O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(-c3ncc(-c4ccc(F)cc4)s3)ccc2C1 ZINC000042852171 KK Annotated Anodyne Cc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 ZINC000042852189 KK Annotated Reactive Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1N1CCc2ccccc2C1 ZINC000042852210 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1N1CCc2ccccc2C1 ZINC000042852213 KK Annotated Anodyne CC[C@H](C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000042852245 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000042852354 KK Annotated Anodyne CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1Br ZINC000042852404 KK Annotated Mild CC(C)C(=O)N1c2cccc(O)c2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1Br ZINC000042852407 KK Annotated Mild COc1cc(-c2nnc3c(n2)c(-c2cc(OC)c(OC)c(OC)c2)nn3-c2ccc(Cl)cc2)cc(OC)c1OC ZINC000042852482 KK Annotated Anodyne C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCC4)OO3)c2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000042852485 KK Annotated Reactive C=C(c1cccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)c1)[C@H]1COC2(CCCC2)OO1 ZINC000042852489 KK Annotated Reactive C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCC4)OO3)c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000042852492 KK Annotated Reactive C=C(c1ccc(Oc2cccc(C(=C)[C@H]3COC4(CCCC4)OO3)c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000042852496 KK Annotated Reactive CC(=O)O[C@H]1C[C@H]2[C@@H](CCC3=CC(=O)C=C[C@@]32C)[C@]23CC[C@]([C@H](C)[C@@H](CCC(C)C)OC(C)=O)(O[C@@]12C)O3 ZINC000042852500 KK Annotated Mild CC(=O)O[C@@H](CCC(C)C)[C@@H](C)[C@]12CC[C@@]3(O1)[C@@H]1CCC4=CC(=O)C=C[C@]4(C)[C@H]1C[C@H](OC(C)=O)[C@]3(C)O2 ZINC000042852503 KK Annotated Mild C#C[C@@H](O)/C=C/CCC/C=C\CCCCCCCC/C=C\CCCCCCCC/C=C\CCC/C=C/[C@H](O)C#C ZINC000042852543 KK Annotated Mild COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CNc5nccs5)CC4)cc2)CC3)cc1 ZINC000042852596 KK Annotated Anodyne O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(S(=O)(=O)c3nc4ccccc4s3)c12)c1cc(Cl)c(Cl)s1 ZINC000042852599 KK Annotated Mild CC(=O)O[C@@H](CC=C(C)C)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@H](O)CC[C@]21C ZINC000042852643 KK Annotated Mild COc1ccc(C(OCCNCc2cc(F)c(O)c(F)c2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000042852696 KK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cccc2c1O[C@@](C)(C(C)(C)C)O2 ZINC000042852699 KK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCOC(=O)c1cccc2c1O[C@](C)(C(C)(C)C)O2 ZINC000042852703 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 ZINC000042852718 KK Annotated Bother CC(=O)O[C@@H]1C=C2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]12C ZINC000042852721 KK Annotated Anodyne COC(=O)[C@@]1(O)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000042852730 KK Annotated Anodyne CCn1cc(C(=O)O)c(=O)c2cc(Oc3ccc(C)cc3)c(Oc3ccc(C)cc3)c(Oc3ccc(C)cc3)c21 ZINC000042852761 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042852792 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042852795 KK Annotated Anodyne COC(=O)[C@@H]1[C@@H](OS(=O)(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@H]([C@H](C)CC(=O)C=C(C)C)[C@@]1(C)CC3 ZINC000042875264 KK Annotated Anodyne CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000042875343 KK Annotated Anodyne Cc1ccc(-n2nncc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000042875351 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](Nc2ccccc2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000042875360 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](Nc2ccccc2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000042875363 KK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)OCc1ccc(I)cc1 ZINC000042875398 KK Annotated Anodyne CCOC(=O)[C@@H](c1cccc2ccccc12)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000042875408 KK Annotated Anodyne CCOC(=O)[C@H](c1cccc2ccccc12)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000042875411 KK Annotated Anodyne CCOC(=O)[C@@H](c1cccc2ccccc12)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000042875414 KK Annotated Anodyne CCOC(=O)[C@H](c1cccc2ccccc12)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000042875417 KK Annotated Anodyne CCCCCCCCCCCCC/C=C1/C(=O)O[C@@]2(C)O[C@H](CCCCCCCCCCCCC)O[C@@H]12 ZINC000042875427 KK Annotated Mild C/C(=N/O)c1sc2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n2c1C)CCC/C4=C/c1ccc(Cl)cc1 ZINC000042875441 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(=O)CC(C)C)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000042875472 KK Annotated Mild in-vitro Cc1cc(-n2ccc(-c3nccs3)n2)c2c(n1)N(c1ccc(C(F)(F)F)cc1C(F)(F)F)S(=O)(=O)C2 ZINC000042875544 KK Annotated Anodyne C/C(=C\C(=O)N(C)[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)C(F)(F)F ZINC000042875612 KK Annotated Anodyne C/C(=C/C(=O)N(C)[C@@H](Cc1ccccc1)[C@H](O)CN(Cc1cccs1)S(=O)(=O)c1cc(F)c(F)cc1F)C(F)(F)F ZINC000042875616 KK Annotated Anodyne Cc1cc(NC(=O)Nc2ccccc2C)c(Cl)cc1CC(=O)N1C[C@@H](F)C[C@H]1COc1ccc(C(=O)O)cc1 ZINC000042875702 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3F)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042875866 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3F)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000042875870 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3C(F)(F)F)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000042875874 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3C(F)(F)F)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000042875878 KK Annotated Anodyne Cc1ccc(S(=O)(=O)c2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)c(C)c1 ZINC000042875938 KK Annotated Mild Cc1ccc(Sc2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)c(C)c1 ZINC000042875982 KK Annotated Mild CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](Nc2ccc(Cl)cc2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000042876003 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](Nc2ccc(Cl)cc2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000042876007 KK Annotated Anodyne C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000042876044 KK Annotated Reactive C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000042876049 KK Annotated Reactive C=C(c1ccc(Oc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000042876056 KK Annotated Reactive O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3nc4ccccc4s3)c12)c1cc(Cl)c(Cl)s1 ZINC000042876067 KK Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccc(C(F)(F)F)cc3)nn2)O1 ZINC000042876082 KK Annotated Mild C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)c2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000042876108 KK Annotated Reactive C=C(c1cccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)c1)[C@H]1COC2(CCCCC2)OO1 ZINC000042876114 KK Annotated Reactive C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000042876119 KK Annotated Reactive C=C(c1ccc(Oc2cccc(C(=C)[C@H]3COC4(CCCCC4)OO3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000042876126 KK Annotated Reactive COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(F)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000042876143 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(F)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000042876147 KK Annotated Anodyne COC(=O)[C@H](C/C=C/C(C)(C)OO)[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 ZINC000042876423 KK Annotated Anodyne Cc1c(O)cc2c(c1O)C(=O)C1=C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O ZINC000042876461 KK Annotated Reactive CO[C@@H]1C[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)C2=C1[C@@]1(C)[C@H](O)C[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC2=O ZINC000042876472 KK Annotated Anodyne COc1ccc(C[C@H]2C3=C(CCCC3)CCN2c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)cc1 ZINC000042876582 KK Annotated Bother COc1ccc(C[C@@H]2C3=C(CCCC3)CCN2c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C(C)(C)C)cc1 ZINC000042876586 KK Annotated Bother O=C(O)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000042876639 KK Annotated Mild Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccc(-c3ccco3)cc2)C[C@H]1N1CCc2ccccc2C1 ZINC000042876810 KK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccc(-c3ccco3)cc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000042876814 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C([C@@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000042876872 KK Annotated Mild CCc1c(-c2nnc(C3(c4ccccc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000042876903 KK Annotated Anodyne C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CC3CCCCC3)CN(CCCc3ccccc3)C2)C1=O ZINC000042876928 KK Annotated Anodyne O=C(O)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000042876950 KK Annotated Mild CN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(-c3nnc(Nc4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000042877021 KK Annotated Mild CCCCCCCCC[C@H](O)CCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000042877061 KK Annotated Mild CCCCCCCCC[C@@H](O)CCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000042877065 KK Annotated Mild CCCCCCCCC[C@H](O)CCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000042877069 KK Annotated Mild CCCCCCCCC[C@@H](O)CCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000042877073 KK Annotated Mild Cc1ccc(OC[C@H]2O[C@@H](n3cc(Cn4ccc5c(Cl)ncnc54)nn3)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000042877236 KK Annotated Anodyne C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000042877246 KK Annotated Reactive Cc1c(O)cc2c(c1O)C(=O)[C@H]1C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O ZINC000042877353 KK Annotated Reactive C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4C(=CC[C@H](NC(=O)c5ccccc5)C4(C)C)CC3=CC[C@]12C)N(C)C ZINC000042877383 KK Annotated Anodyne CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)c4c3C[C@@](CCCCC)(OCC)OC4=O)c2c(=O)o1 ZINC000042877656 KK Annotated Anodyne CCCCCc1cc2cc(O)cc(Oc3c(O)cc(O)c4c3C[C@](CCCCC)(OCC)OC4=O)c2c(=O)o1 ZINC000042877660 KK Annotated Anodyne CC(C)CNc1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000042877664 KK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OCc3ccc(Br)cc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000042877919 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc([N+](=O)[O-])cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000042878044 KK Annotated Bother CCc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000042878180 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cc2ccccc2s1)c1ccc(Cl)cc1 ZINC000042878192 KK Annotated Anodyne O=C1[C@H](CCC(O)(c2ccccc2)c2ccccc2)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)cc1 ZINC000042878245 KK Annotated Anodyne O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccc(Cl)c(Cl)c3)c12)c1cc(Cl)c(Cl)s1 ZINC000042878337 KK Annotated Mild CCN(CC)CCCNc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1 ZINC000042878466 KK Annotated Anodyne CCCCCC[C@H]1C[C@@H](COC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)CN(CCCc2ccccc2)C1 ZINC000042878527 KK Annotated Anodyne CCOP(=O)(OCC)C(O)(CCCCn1c2c(c3ccccc31)CCCc1ccccc1-2)P(=O)(OCC)OCC ZINC000042878566 KK Annotated Anodyne CC(C)c1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000042878592 KK Annotated Anodyne COc1cccc(-c2cccc3c2CC[C@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@H](O)C(F)(F)F)c1 ZINC000042878637 KK Annotated Mild COc1cccc(-c2cccc3c2CC[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@H](O)C(F)(F)F)c1 ZINC000042878640 KK Annotated Mild COc1ccc([C@H]2C=CC[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000042878730 KK Annotated Anodyne COc1ccc([C@H]2/C=C/C[C@H](NS(=O)(=O)c3ccc4ccccc4c3)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000042878735 KK Annotated Anodyne COc1cc(OC)cc(-c2c3c(n4c2-c2cc(OC)c(OC)c(O)c2CC4)COc2cc(O)c(OC)cc2-3)c1 ZINC000042878787 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)C6=C(C[C@@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000042878875 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@@H]4CC[C@]4(C)C6=C(C[C@@H]45)C(=O)C=CC6=O)[C@]3(C)CC[C@@H]12 ZINC000042878878 KK Annotated Mild Cc1cc(C(=O)N(C(=S)OCCN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2)ccc1Br ZINC000042878952 KK Annotated Anodyne CN(CC(=O)Nc1ccc(NC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000042878956 KK Annotated Bother CCn1cc(C(=O)O)c(=O)c2cc(F)c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c21 ZINC000042878961 KK Annotated Anodyne C=C(C)[C@H]1Cc2cc(Cc3c(O)c4c(c5c3O[C@@]3(C)OC[C@H](C)[C@H]3C5)O[C@@]3(C)OC[C@H](C)[C@H]3C4)ccc2O1 ZINC000042879008 KK Annotated Mild C=C(C)[C@@H]1Cc2cc(Cc3c(O)c4c(c5c3O[C@@]3(C)OC[C@H](C)[C@H]3C5)O[C@@]3(C)OC[C@H](C)[C@H]3C4)ccc2O1 ZINC000042879012 KK Annotated Mild O=S(=O)(/N=C(\O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1)c1ccccc1Cl ZINC000042881910 KK Annotated Mild Cn1cc(/C=C/C(O)=N/S(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(F)c3)cccc21 ZINC000042887420 KK Annotated Mild O=[N+]([O-])c1ccc(C2=NO[C@H](c3ccc(N4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)cc3)C2)o1 ZINC000042887448 KK Annotated Bother O=[N+]([O-])c1ccc(C2=NO[C@@H](c3ccc(N4CCC(Oc5ccc(C(F)(F)F)cc5)CC4)cc3)C2)o1 ZINC000042887452 KK Annotated Bother CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccccc3)s1)n2CCC(N)=O ZINC000042887574 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(Cl)c3Cl)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000042887662 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(Cl)c3Cl)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000042887665 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000042887883 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C(C)C)[C@]2(CO)CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@@H]12)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000042887886 KK Annotated Anodyne in-vitro COc1ccc(Sc2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1OC ZINC000042887904 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000042887990 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(F)c3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000042887993 KK Annotated Mild CCc1c(-c2nnc(C3(c4ccc(C)cc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000042888012 KK Annotated Anodyne CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000042888043 KK Annotated Anodyne CC(C)[C@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000042888052 KK Annotated Anodyne CC(C)[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000042888055 KK Annotated Anodyne NC[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 ZINC000042888099 KK Annotated Anodyne Cc1c(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cccc1Nc1c2ccccc2nc2c(C)cccc12 ZINC000042888782 KK Annotated Reactive C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3cccc4ccccc34)nn2)O1 ZINC000042888796 KK Annotated Mild CC1=C2C(=CC(C)(C)[C@@H]2OC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C(=O)[C@](C)(O)C12CC2 ZINC000042888881 KK Annotated Reactive CCOC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000042888972 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]23C)O1 ZINC000042889041 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CSc2snnc2-c2ccc(Cl)cc2Cl)c(Br)c1 ZINC000042889132 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1ccc(OC(F)(F)C(F)F)cc1)C(F)(F)F ZINC000042889226 KK Annotated Mild CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@](=O)(F)OCC)cc(OC)c2O)c1)OCC ZINC000042889257 KK Annotated Reactive CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@@](=O)(F)OCC)cc(OC)c2O)c1)OCC ZINC000042889261 KK Annotated Reactive O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000042889280 KK Annotated Bother O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c1N2 ZINC000042889284 KK Annotated Bother CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 ZINC000042889361 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(/C)C(=O)/C=C/C(C)=C/C=C/C(C)(C)O)[C@@]3(C)CC[C@H]2[C@@]1(C)C(=O)O ZINC000042889532 KK Annotated Mild in-vitro CCC[C@@H](CC(=O)O)C1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)[C@@H](C)CC)(C1=O)C3=O ZINC000042889542 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)[C@@H](C)CC)(C1=O)C3=O ZINC000042889546 KK Annotated Mild CCC[C@@H](CC(=O)O)C1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)[C@H](C)CC)(C1=O)C3=O ZINC000042889550 KK Annotated Mild CCC[C@H](CC(=O)O)C1=C2O[C@H](C(C)(C)O)C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](C(=O)[C@H](C)CC)(C1=O)C3=O ZINC000042889554 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000042889694 KK Annotated Mild Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1C(C)C ZINC000042889810 KK Annotated Anodyne OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3cccc(Br)c3)(CC1)CC2 ZINC000042889830 KK Annotated Bother CCCCCCCCCCCCCC(=O)O[C@@H](c1ccc(Br)cc1)c1cnc(SC)o1 ZINC000042889987 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](c1ccc(Br)cc1)c1cnc(SC)o1 ZINC000042889991 KK Annotated Mild O=C1/C(=C/c2ccccc2)CCC[C@]12[C@@H](c1ccccc1)[C@@H]1CCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000042890333 KK Annotated Mild N#Cc1cnc2c(Br)cc(NCc3cn(Cc4cccnc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000042890343 KK Annotated Mild COc1ccc([C@H]2S[C@@H](CC(=O)NCCC3=CCc4ccccc43)C(=O)N2c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000042890664 KK Annotated Anodyne COc1ccc([C@@H]2S[C@@H](CC(=O)NCCC3=CCc4ccccc43)C(=O)N2c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000042890671 KK Annotated Anodyne COc1ccc([C@H]2S[C@H](CC(=O)NCCC3=CCc4ccccc43)C(=O)N2c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000042890678 KK Annotated Anodyne COc1ccc([C@@H]2S[C@H](CC(=O)NCCC3=CCc4ccccc43)C(=O)N2c2ccc(C(N)=O)c(Cl)c2)cc1 ZINC000042890684 KK Annotated Anodyne C/C(=C/SS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O)n1c(C(=O)c2ccc(Cl)cc2)noc1=O ZINC000042890817 KK Annotated Reactive CCCCCCCCCCCCCCCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000042891208 KK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000042891213 KK Annotated Mild COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@@H]2CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 ZINC000042891886 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 ZINC000042891893 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@H]2CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 ZINC000042891899 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 ZINC000042891905 KK Annotated Reactive O=C(OCC1c2ccccc2-c2ccccc21)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 ZINC000042892098 KK Annotated Reactive CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000042919868 KK Annotated Mild CCn1c2ccc3cc2c2cc(ccc21)CSc1ccccc1NC(=O)c1cccc(n1)C(=O)Nc1ccccc1SC3 ZINC000042919912 KK Annotated Anodyne Cc1cc2c(CCc3ccccc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(CCc3ccccc3)c(O)c(O)cc2c1O ZINC000042919914 KK Annotated Clean CCN(C(=O)CN(c1cc2c(C)nsc2cc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1)c1cccc(C)n1 ZINC000042919931 KK Annotated Anodyne CCCCC1(CCCC)OC(c2cc(OC)c(OC)c(OC)c2)=NN1C(=O)NC(=O)c1cc(F)c(OC)c(F)c1F ZINC000042919933 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000042919980 KK Annotated Anodyne in-vitro O=C1/C(=C/c2ccccc2)CCC[C@]12[C@@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000042920068 KK Annotated Mild C[C@@](Cc1ccc(Oc2cc(N3CCN(Cc4cccc5ccccc45)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000042920078 KK Annotated Anodyne O=C1C=CC[C@H](C[C@@H]2C[C@H]3C[C@](/C=C/c4ccccc4)(Oc4c(C(=O)/C=C/c5ccccc5)c(O)cc(O)c43)O2)O1 ZINC000042920134 KK Annotated Mild in-vitro COc1ccc2cc1Oc1cccc(c1)C[C@H]1c3cc(O)c(c(OC)c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)=C3C2 ZINC000042920177 KK Annotated Bother CCCCCCCCCCCCCCCCCCOC(=O)C[C@H]1C[C@@H](O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000042920215 KK Annotated Mild CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)O[C@@H](C)OC(=O)C(C)(C)C ZINC000042920232 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN(CCNC1C2CC3CC(C2)CC1C3)C(=O)O[C@H](C)OC(=O)C(C)(C)C ZINC000042920233 KK Annotated Anodyne CO[C@@]12C=C3C(=C(C)C(=O)C(O)=C3[C@@H]3O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]1C)[C@H](C)[C@H](O)[C@H]3C)O2 ZINC000042920236 KK Annotated Mild COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/C34CC5CC(CC(C5)C3)C4)c(C(=O)O)c1O)CC2 ZINC000042920247 KK Annotated Mild CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000042920253 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000042920254 KK Annotated Anodyne COc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C(\c3ccccc3)c3ccccc3C(=O)O)nn2)cc1 ZINC000042920259 KK Annotated Mild CC(=O)O[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000042920555 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)CCc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000042920557 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@@]3(C=CC(C)(C)OC3=C(C(=O)c3ccccc3)C1=O)C2=O ZINC000042920592 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](C(=O)/C(C)=C/C)[C@H](C)[C@H]1C)OCO3 ZINC000042920612 KK Annotated Mild O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)C[C@H]1/C=C/c1ccccc1 ZINC000042920658 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)C[C@@H]1/C=C/c1ccccc1 ZINC000042920660 KK Annotated Bother CCc1[nH]c2ccccc2c1C(=N/c1nc(-c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)cs1)/N=N/c1ccc(OC)cc1 ZINC000042920901 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccccc4)=C2OC1(C)C)C3=O ZINC000042920922 KK Annotated Mild COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc3c(c1O)C(=O)N1c4ccccc4S[C@H]31)CC2 ZINC000042920936 KK Annotated Clean COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc3c(c1O)C(=O)N1c4ccccc4S[C@@H]31)CC2 ZINC000042920938 KK Annotated Clean CN1C[C@H](c2ccccc2Cl)[C@]2(CCC/C(=C\c3ccccc3Cl)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000042920956 KK Annotated Mild C[C@@](Cc1ccc(Oc2cc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000042920988 KK Annotated Anodyne NC(=O)CN(CC1CCCCC1)C(=O)CCCOc1cc(-c2cccnc2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000042921058 KK Annotated Anodyne C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@H](O)C(C)(C)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000042921144 KK Annotated Reactive C/C=C(\C)C(=O)[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)c2ccccc2)[C@H](C)[C@H]1C ZINC000042921341 KK Annotated Mild CCn1c2ccc3cc2c2cc(ccc21)CSc1ccccc1NC(=O)c1cccc(c1)C(=O)Nc1ccccc1SC3 ZINC000042921535 KK Annotated Anodyne CCOC(=O)c1cc2c(CN3CCCCC3)c(O)c(OC)cc2nc1CSc1ccc(F)c(F)c1 ZINC000042921815 KK Annotated Clean CS(=O)(=O)c1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000042922081 KK Annotated Anodyne O=C(CN1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000042922096 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000042922236 KK Annotated Mild CCOP(=O)(CCCCN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000042923072 KK Annotated Mild CC(C)NC(=N)c1ccc2cc(-c3ccc(Oc4ccc(-c5cc6ccc(C(=N)NC(C)C)cc6[nH]5)cc4)cc3)[nH]c2c1 ZINC000042924200 KK Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000042924215 KK Annotated Anodyne CCCCCC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000042963493 KK Annotated Anodyne NCCCC[C@H](NC(=O)c1cccc(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000042963497 KK Annotated Anodyne NCCCC[C@H](NC(=O)c1ccc(F)c(F)c1)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000042963798 KK Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCCCCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000042963947 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1CCN(CCCN)CCCN(C)CCCCN(C)CCCCN1C ZINC000042964116 KK Annotated Mild CCCCCCCCCCCCC[C@H]1CCN(CCCN)CCCN(C)CCCCN(C)CCCCN1C ZINC000042964119 KK Annotated Mild c1cc(-c2nc3ccccc3c3nc4ccccc4n23)cc(-c2nc3ccccc3c3nc4ccccc4n23)c1 ZINC000042964122 KK Annotated Bother c1ccc(C(CCNCCCNCCCCNCCCNCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000042964771 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000042964858 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccc(F)cc1)c1ccc[n+]([O-])c1 ZINC000042964878 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccc(F)cc1)c1ccc[n+]([O-])c1 ZINC000042964881 KK Annotated Anodyne CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCC4CC4)c4ccccc4)ccc32)cc1)C(=O)O ZINC000042965122 KK Annotated Mild COc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C/c1ccc(OCCOc2ccc(C=O)cc2)cc1 ZINC000042965324 KK Annotated Mild O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccc(F)cc1)c1ccc(=O)[nH]c1 ZINC000042965374 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccc(F)cc1)c1ccc(=O)[nH]c1 ZINC000042965376 KK Annotated Anodyne CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1 ZINC000042965702 KK Annotated Anodyne Cc1ccc(CN2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)c2ccccc12 ZINC000042965750 KK Annotated Anodyne c1cc(-c2nc3ccccc3c3nc4ccccc4n23)nc(-c2nc3ccccc3c3nc4ccccc4n23)c1 ZINC000042965890 KK Annotated Bother c1ccc2c(c1)nc(-c1ccc(-c3nc4ccccc4c4nc5ccccc5n34)cc1)n1c3ccccc3nc21 ZINC000042965932 KK Annotated Bother C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)N1CCCCC1 ZINC000042966454 KK Annotated Anodyne C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)N1CCCCC1 ZINC000042966456 KK Annotated Anodyne COc1cc(C(C)(C)C)cc(C(C)(C)C)c1CNCCCNCCCNCCCNCc1c(OC)cc(C(C)(C)C)cc1C(C)(C)C ZINC000042966492 KK Annotated Anodyne O=C(O)Cc1coc(-c2ccc(Cn3c(=O)n(C(c4ccccc4)c4ccccc4)c(=O)c4ccccc43)cc2)n1 ZINC000042966501 KK Annotated Anodyne c1ccc(C(CCNCCCNCCCNCCCNCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000042966656 KK Annotated Anodyne O=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000042966684 KK Annotated Bother CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1C=CC[C@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@]13O2 ZINC000042966710 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)[C@H]1C=CC[C@H]3C(C)(C)O[C@@]4(CC=C(C)C(=O)C4)[C@@]13O2 ZINC000042966714 KK Annotated Mild COc1cc(-c2ccc3c(c2)Nc2ccc(C(C)(C)C(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1[N+](=O)[O-] ZINC000042966831 KK Annotated Bother CC(C)(C)c1ccc(CN2CCN(c3cc(Oc4ccc(C[C@](C)(Oc5ccccc5)C(=O)O)cc4)nc(N)n3)CC2)cc1 ZINC000042966896 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccc(F)cc1)c1c[nH]c(=O)c(Cl)c1 ZINC000042967381 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccc(F)cc1)c1c[nH]c(=O)c(Cl)c1 ZINC000042967384 KK Annotated Anodyne COc1ccc(CNC2=NC(=O)/C(=C/c3cn(CCCCCOc4ccc(C#N)cc4)c4ccccc34)N2)cc1OC ZINC000042988738 KK Annotated Mild COc1ccc([C@H](NC(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccc(F)cc2)cn1 ZINC000042988859 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)CC2CCN(Cc3ccn(-c4ccc(C(F)(F)F)cc4)c3)CC2)c2ccc(F)cc2)cn1 ZINC000042988861 KK Annotated Anodyne COc1ccc(-c2ccn(C[C@H](O)c3cc(F)ccc3Oc3nc4ccc([N+](=O)[O-])cc4cc3Cc3ccccc3)n2)cc1 ZINC000042989187 KK Annotated Bother COc1ccc(-c2ccn(C[C@@H](O)c3cc(F)ccc3Oc3nc4ccc([N+](=O)[O-])cc4cc3Cc3ccccc3)n2)cc1 ZINC000042989189 KK Annotated Bother COc1cccc(-c2ccn(C[C@H](O)c3cc(F)ccc3Oc3nc4ccc([N+](=O)[O-])cc4cc3Cc3ccccc3)n2)c1 ZINC000042989191 KK Annotated Bother COc1cccc(-c2ccn(C[C@@H](O)c3cc(F)ccc3Oc3nc4ccc([N+](=O)[O-])cc4cc3Cc3ccccc3)n2)c1 ZINC000042989193 KK Annotated Bother COc1cc(N[C@@H](C)CCCNC(=O)NCCNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000042989253 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000042989255 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000042989257 KK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C(\C(=O)/C=C/C3=C(C)CCCC3(C)C)C(=O)/C=C/c3ccc(O)c(OC)c3)ccc21 ZINC000042989367 KK Annotated Mild NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccccc3)cc2s1 ZINC000042989463 KK Annotated Mild O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1cc(OCCC(F)(F)F)ccc1OCCC(F)(F)F ZINC000042989652 KK Annotated Anodyne CCN(C[C@@](O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1C ZINC000042989941 KK Annotated Anodyne CCN(C[C@](O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1C ZINC000042989943 KK Annotated Anodyne Cc1csc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1-c1nc2ccccc2s1 ZINC000042990043 KK Annotated Anodyne C[C@@](Cc1ccc(Oc2cc(N3CCN(c4cccc(Cl)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000042990070 KK Annotated Anodyne O=S(=O)(/N=C(\S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccccc1 ZINC000042990072 KK Annotated Mild O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)C1CCCCC1 ZINC000043009132 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccn(S(=O)(=O)c5c(Cl)nc6sccn56)c4c3)cn2)CC1 ZINC000043009161 KK Annotated Anodyne COc1cccc(NC(=S)Nc2ccc3nc(Oc4ccc(F)cc4[C@H](C)O)c(Cc4ccccc4)cc3c2)c1 ZINC000043009883 KK Annotated Anodyne COc1cccc(NC(=S)Nc2ccc3nc(Oc4ccc(F)cc4[C@@H](C)O)c(Cc4ccccc4)cc3c2)c1 ZINC000043009887 KK Annotated Anodyne Cc1ccc(CN2CCC(=Cc3ccc(C(=O)N[C@H](C)c4ccc(Br)cc4)cc3)CC2)c(C)c1 ZINC000043009985 KK Annotated Anodyne C[C@H](Nc1cc(N2CCOCC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043010855 KK Annotated Anodyne C[C@@H](c1ccccc1)N1CCc2c([nH]c3ccc(Br)cc23)-c2c(I)ccnc21 ZINC000043010867 KK Annotated Anodyne O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000043010888 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)CN3CCOCC3)c(Cc3ccccc3)cc2c1 ZINC000043010933 KK Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)CN3CCOCC3)c(Cc3ccccc3)cc2c1 ZINC000043010936 KK Annotated Bother O=C(Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccccc1 ZINC000043010975 KK Annotated Bother C[C@H](Nc1cc(Nc2ccc(F)cc2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043011440 KK Annotated Anodyne CCN(C[C@@](O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C ZINC000043012028 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccc(F)cc1 ZINC000043012286 KK Annotated Anodyne Cc1ccc(C(=O)NC(=S)N2CCc3c(OCCCCCOc4ccc(Cl)cc4)cccc32)cc1 ZINC000043012628 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2)s1 ZINC000043012727 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2)s1 ZINC000043012732 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2O)s1 ZINC000043012738 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2O)s1 ZINC000043012744 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2c(Nc3cccc(C(=O)O)c3)cccc2c1 ZINC000043013025 KK Annotated Anodyne COc1ccc(CCNC(=O)/C=C/C=C2\OC(/C=C/c3ccccc3)=Nc3c2oc2ccc(Br)cc32)cc1OC ZINC000043013046 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1cccs1 ZINC000043013284 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000043013300 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000043013304 KK Annotated Anodyne S=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)Oc1ccccc1 ZINC000043013342 KK Annotated Anodyne CCOC(=O)c1onc(-c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1C(=O)OCC ZINC000043013578 KK Annotated Anodyne c1ccc2c(c1)nc(-c1ccc(-c3nc4ccccc4c4nc5ccccc5n34)s1)n1c3ccccc3nc21 ZINC000043014747 KK Annotated Bother CN(C)c1ccc(C(=O)NC(=S)N2CCc3c(OCCCCCOc4ccc(Cl)cc4)cccc32)cc1 ZINC000043015419 KK Annotated Anodyne Brc1ccc2[nH]c3c(c2c1)CCN(CC(c1ccccc1)c1ccccc1)c1nccc(I)c1-3 ZINC000043015963 KK Annotated Anodyne FC(F)(F)Sc1ccc(CNCCCNCCCNCCCNCc2ccc(SC(F)(F)F)cc2)cc1 ZINC000043016054 KK Annotated Anodyne CCCC[C@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(OC)nc1 ZINC000043017325 KK Annotated Anodyne CCCC[C@@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(OC)nc1 ZINC000043017329 KK Annotated Anodyne N#Cc1ccc(C(=O)NC(=S)N2CCc3c(OCCCCCOc4ccc(Cl)cc4)cccc32)cc1 ZINC000043018323 KK Annotated Mild COc1c(O)cc2c(c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)[C@H]2OC(=O)/C=C/c1ccccc1 ZINC000043018586 KK Annotated Anodyne CC(=O)O[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000043018632 KK Annotated Anodyne CC(=O)O[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000043018634 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCCCC3)c2ncccc2c1 ZINC000043018788 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](Cc3ccccc3)NC23CCCCCC3)c2ncccc2c1 ZINC000043018791 KK Annotated Anodyne CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C(F)(F)F)n1 ZINC000043018975 KK Annotated Anodyne Cc1csc(N(S(=O)(=O)c2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c1-c1nc2ccccc2s1 ZINC000043019351 KK Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2nc(Oc3ccc(F)cc3[C@H](C)O)c(Cc3ccccc3)cc2c1 ZINC000043020559 KK Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2nc(Oc3ccc(F)cc3[C@@H](C)O)c(Cc3ccccc3)cc2c1 ZINC000043020562 KK Annotated Anodyne COc1cc(/C=N/n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)ccc1O ZINC000043020740 KK Annotated Mild Clc1ccc(C[C@H](CNc2cc(NC3CCCCCC3)ncn2)c2cccc(Br)c2)cc1 ZINC000043020957 KK Annotated Anodyne O=Nc1c(-c2ccc(-c3cc4ccccc4oc3=O)cc2)nc2sc(Cc3noc4ccccc34)nn12 ZINC000043021086 KK Annotated Anodyne COc1ccc([C@@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000043021955 KK Annotated Clean COc1ccc([C@H]2CC(c3cc4ccccc4o3)=NN2C(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(O)c1 ZINC000043021957 KK Annotated Clean O=c1c(CSC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)coc2ccccc12 ZINC000043021997 KK Annotated Anodyne N#Cc1ccc(OCCCCCn2cc(/C=C3\N/C(=N/Cc4ccccc4)N=C3O)c3ccccc32)cc1 ZINC000043022005 KK Annotated Mild O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1cc2ccccc2s1 ZINC000043022325 KK Annotated Anodyne O=S(=O)(C=C=Cc1ccccc1C#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000043022389 KK Annotated Mild O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)Cn3ccc(-c4cccc(Cl)c4)n3)c(Cc3ccccc3)cc2c1 ZINC000043022550 KK Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)Cn3ccc(-c4cccc(Cl)c4)n3)c(Cc3ccccc3)cc2c1 ZINC000043022553 KK Annotated Bother C[C@H](Nc1cc(Nc2ccccc2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043022756 KK Annotated Anodyne O=C(O)CCCN1CC[C@H]2c3ccccc3N(Cc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)[C@H]2C1 ZINC000043023421 KK Annotated Anodyne O=C(O)CCCN1CC[C@@H]2c3ccccc3N(Cc3cccc(/C=C/c4ccc5ccc(Cl)cc5n4)c3)[C@H]2C1 ZINC000043023423 KK Annotated Anodyne O=C1Nc2ccccc2C1(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000043024745 KK Annotated Anodyne COc1ccccc1NC(=S)Nc1ccc2nc(Oc3ccc(F)cc3[C@H](C)O)c(Cc3ccccc3)cc2c1 ZINC000043024812 KK Annotated Anodyne COc1ccccc1NC(=S)Nc1ccc2nc(Oc3ccc(F)cc3[C@@H](C)O)c(Cc3ccccc3)cc2c1 ZINC000043024816 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccccc1[N+](=O)[O-] ZINC000043024819 KK Annotated Bother Oc1ccc(CCN2CCc3c([nH]c4ccc(Br)cc34)-c3c(I)ccnc32)cc1 ZINC000043025112 KK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)o2)c1 ZINC000043025162 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC(=O)c1ccccc1)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000043059163 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1ccc(-c2nc3sc(Cc4noc5ccccc45)nn3c2Br)cc1 ZINC000043059227 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/C=C/c1ccccc1 ZINC000043059323 KK Annotated Mild O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccc(Cl)cc1 ZINC000043059358 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1 ZINC000043059807 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1 ZINC000043059811 KK Annotated Anodyne O=C(/C=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c1oc1ccc(Br)cc21)N1CCOCC1 ZINC000043059875 KK Annotated Anodyne Clc1nccc2c1-c1[nH]c3ccc(Br)cc3c1CCN2CC(c1ccccc1)c1ccccc1 ZINC000043060548 KK Annotated Anodyne CSc1nccc(S(=O)(=O)c2ccc(S(=O)(=O)Nc3sccc3-c3nc4ccccc4s3)s2)n1 ZINC000043061609 KK Annotated Anodyne CC(C)n1c(=O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CCCCCN(C)CCc2c[nH]c3ccccc23)cc2ccccc21 ZINC000043061794 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2sc(-c3cccc(C(=O)O)c3)cc2c1 ZINC000043061882 KK Annotated Anodyne CC(C)CCn1c(CN2C(=O)/C(=N/OCc3ccc(C(=O)N(C)C)cc3)c3ccccc32)nc2ccccc21 ZINC000043062052 KK Annotated Mild COc1ccc(/C=N/n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000043062073 KK Annotated Mild N#CSc1c(-c2ccc(-c3cc4ccccc4oc3=O)cc2)nc2sc(Cc3noc4ccccc34)nn12 ZINC000043062708 KK Annotated Reactive O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 ZINC000043063106 KK Annotated Bother O=C(Cn1c2ccccc2c2nc3ccccc3nc21)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 ZINC000043063110 KK Annotated Bother O=C(CCCC[C@@H]1CCSS1)NCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O ZINC000043063287 KK Annotated Reactive O=C(CCCC[C@H]1CCSS1)NCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O ZINC000043063291 KK Annotated Reactive N#Cc1ccc(OCCCCCn2cc(/C=C3\N=C(S)NC3=O)c3cc(Br)ccc32)cc1 ZINC000043063457 KK Annotated Mild CN(C)c1ccc(/C=N/n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000043063600 KK Annotated Mild O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000043064023 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000043064030 KK Annotated Anodyne C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)n1ccnc1 ZINC000043064399 KK Annotated Anodyne C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)n1ccnc1 ZINC000043064404 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000043064722 KK Annotated Anodyne CC(C)[C@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 ZINC000043065093 KK Annotated Mild in-vitro CC(C)[C@@H](C(=O)O[C@@H](C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 ZINC000043065098 KK Annotated Mild in-vitro CC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 ZINC000043065102 KK Annotated Mild in-vitro CC(C)[C@@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1 ZINC000043065105 KK Annotated Mild in-vitro CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCc4ccccc4)c4ccccc4)ccc32)cc1)C(=O)O ZINC000043065700 KK Annotated Mild O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/c1ccc(Cl)cc1 ZINC000043065866 KK Annotated Mild O=C(N[C@@H](Cc1cnc[nH]1)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 ZINC000043065928 KK Annotated Anodyne CC(C)CCn1c(CN2C(=O)/C(=N/Oc3ccc(Br)cc3)c3ccccc32)nc2ccccc21 ZINC000043066908 KK Annotated Mild CCCCNc1nc(NCCCC)nc(Nc2nc(SC)cc(-c3cc(OC)c(OC)c(OC)c3)n2)n1 ZINC000043066996 KK Annotated Anodyne C[C@H](O)c1cc(F)ccc1Oc1nc2ccc(NC(=S)NCc3ccc(Cl)cc3)cc2cc1Cc1ccccc1 ZINC000043067317 KK Annotated Anodyne C[C@@H](O)c1cc(F)ccc1Oc1nc2ccc(NC(=S)NCc3ccc(Cl)cc3)cc2cc1Cc1ccccc1 ZINC000043067320 KK Annotated Anodyne CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(SC)n1 ZINC000043067743 KK Annotated Anodyne CCCCC(CCCC)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)c1cc(F)c(OC)c(F)c1F ZINC000043067903 KK Annotated Reactive CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000043068489 KK Annotated Mild CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C/C(=O)OC(C(F)(F)F)C(F)(F)F ZINC000043068494 KK Annotated Mild CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1[C@H](Br)C(Br)(Br)Br ZINC000043068506 KK Annotated Reactive in-vitro CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1[C@H](Br)C(Br)(Br)Br ZINC000043068511 KK Annotated Reactive in-vitro CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1[C@H](Br)C(Br)(Br)Br ZINC000043068516 KK Annotated Reactive in-vitro COc1ccc(NC(=S)Nc2ccc3nc(Oc4ccc(F)cc4[C@H](C)O)c(Cc4ccccc4)cc3c2)cc1 ZINC000043068629 KK Annotated Anodyne COc1ccc(NC(=S)Nc2ccc3nc(Oc4ccc(F)cc4[C@@H](C)O)c(Cc4ccccc4)cc3c2)cc1 ZINC000043068634 KK Annotated Anodyne CCOC(=O)/C=C/C=C1\OC(/C=C(\Cl)c2ccc(Cl)cc2)=Nc2c1oc1ccc(Br)cc21 ZINC000043069208 KK Annotated Anodyne COC(=O)c1ccc(CO/N=C2/C(=O)N(Cc3nc4ccccc4n3CCC(C)C)c3ccccc32)cc1 ZINC000043069492 KK Annotated Mild CCCC[C@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1 ZINC000043071036 KK Annotated Anodyne CCCC[C@@H](NC(=O)CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1 ZINC000043071040 KK Annotated Anodyne NCCCOc1ccc(CN(C(=O)c2ccccc2OCCCN)c2nc3ccc(Oc4ccc(O)cc4)cc3s2)cc1 ZINC000043071351 KK Annotated Anodyne CCC(CC)Nc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)ncn1 ZINC000043071767 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(O)cc2)s1 ZINC000043072371 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(O)cc2)s1 ZINC000043072379 KK Annotated Anodyne C[C@@H](NC(=O)c1ccc(C=C2CCN(Cc3cccc4c3OCO4)CC2)cc1)c1ccc(Br)cc1 ZINC000043073329 KK Annotated Anodyne CCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C)n1 ZINC000043073339 KK Annotated Anodyne COc1ccc(-c2nnc(SC3=C(Br)C(=O)O[C@@H]3O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)s2)cc1 ZINC000043073812 KK Annotated Anodyne COc1ccc(-c2nnc(SC3=C(Br)C(=O)O[C@@H]3O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)s2)cc1 ZINC000043073815 KK Annotated Anodyne COc1ccc(-c2nnc(SC3=C(Br)C(=O)O[C@@H]3O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)s2)cc1 ZINC000043073818 KK Annotated Anodyne COc1ccc(-c2nnc(SC3=C(Br)C(=O)O[C@@H]3O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)s2)cc1 ZINC000043073821 KK Annotated Anodyne Cc1ccc2oc(=O)c(C(=O)NCCCCCCCCNC(=O)CCCC[C@@H]3CCSS3)c(O)c2c1 ZINC000043074417 KK Annotated Reactive Cc1ccc2oc(=O)c(C(=O)NCCCCCCCCNC(=O)CCCC[C@H]3CCSS3)c(O)c2c1 ZINC000043074420 KK Annotated Reactive N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCCc1ccc(I)cc1 ZINC000043074751 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccc(Br)cc1 ZINC000043074787 KK Annotated Anodyne CCCCCNc1cc(N[C@@H](C)[C@@H](Cc2ccc(Cl)cc2)c2cccc(Br)c2)nc(C(F)(F)F)n1 ZINC000043074835 KK Annotated Anodyne CCN(C[C@](O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1Cl ZINC000043075240 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000043075344 KK Annotated Mild COc1cc(/C=N/n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc(OC)c1OC ZINC000043075347 KK Annotated Mild O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000043075662 KK Annotated Anodyne CC1CCN(c2cc(N[C@@H](C)[C@@H](Cc3ccc(Cl)cc3)c3cccc(Br)c3)ncn2)CC1 ZINC000043075855 KK Annotated Anodyne CC(C)=CCC1=C2OC(C)(C)[C@@H](CC=C(C)C)C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O ZINC000043077074 KK Annotated Mild O=S(=O)(C=C=Cc1ccccc1C#CC#Cc1ccccc1C#CCS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000043078031 KK Annotated Mild CCN(C[C@@](O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F ZINC000043079150 KK Annotated Anodyne CCN(C[C@](O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1F ZINC000043079152 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@@H](c1ccccc1)c1c[nH]cn1 ZINC000043079428 KK Annotated Anodyne O=C(CC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N[C@H](c1ccccc1)c1c[nH]cn1 ZINC000043079432 KK Annotated Anodyne O=S(=O)(NC1=C(c2nc3ccccc3s2)[C@H]2CCCC[C@@H]2S1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043080334 KK Annotated Anodyne O=S(=O)(NC1=C(c2nc3ccccc3s2)[C@H]2CCCC[C@H]2S1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043080337 KK Annotated Anodyne O=S(=O)(NC1=C(c2nc3ccccc3s2)[C@@H]2CCCC[C@@H]2S1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043080340 KK Annotated Anodyne O=S(=O)(NC1=C(c2nc3ccccc3s2)[C@@H]2CCCC[C@H]2S1)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000043080343 KK Annotated Anodyne C[C@H](Nc1cc(N2CCC(C(F)(F)F)CC2)ncn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000043080717 KK Annotated Anodyne CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCO)cc1-c1ccccc1Cl ZINC000043082647 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000043100520 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000043100526 KK Annotated Mild CCCCCCCCCCCCCCCCCCSC[C@@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OCC ZINC000043101135 KK Annotated Mild CCCCCCCCCCCCCCCCCCSC[C@](C)(CO[P@@](=O)(O)OCC[N+](C)(C)C)OCC ZINC000043101139 KK Annotated Mild CC1(C)C=C(C(F)(F)F)c2cc(Cl)c(OCCCOc3ccc(CC(C)(C)C(=O)O)cc3)cc2O1 ZINC000043103317 KK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc(-c4cccnc4)cc(-c4ccccn4)c3)o2)c1 ZINC000043117544 KK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)o2)c1 ZINC000043117547 KK Annotated Anodyne c1ccc(C(CCNCCCCNCCCNCCC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000043118134 KK Annotated Anodyne Cc1cc(-c2[nH]ncc2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1 ZINC000043118490 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccc(C(F)(F)F)cc1 ZINC000043119731 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccc2ccccc2c1 ZINC000043119957 KK Annotated Anodyne O=C(NCc1ccc(S(=O)(=O)Nc2sccc2-c2nc3ccccc3s2)s1)c1ccc(Cl)cc1 ZINC000043120067 KK Annotated Anodyne O=C1C2=C(Nc3[nH]nc(-c4ccsc4)c3[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000043120162 KK Annotated Mild O=C1C2=C(Nc3[nH]nc(-c4ccsc4)c3[C@@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21 ZINC000043120163 KK Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(Cl)cc2)s1 ZINC000043120164 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccc(Cl)cc2)s1 ZINC000043120166 KK Annotated Anodyne CC1(C)C=Cc2c(-c3cccc4c3Sc3ccccc3S4)cc3oc(=O)cc(-c4ccccc4)c3c2O1 ZINC000043120276 KK Annotated Anodyne COc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cc1OCCO ZINC000043120389 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CCN(CCc2c[nH]cn2)C1=O)COS(=O)(=O)O ZINC000043120781 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc(-c2ccccc2)n1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000043121628 KK Annotated Mild CCN(C[C@@](O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043121655 KK Annotated Anodyne CCN(C[C@](O)(CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1ccccc1 ZINC000043121658 KK Annotated Anodyne Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1 ZINC000043122264 KK Annotated Anodyne CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccncc2)s1 ZINC000043122387 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccncc2)s1 ZINC000043122391 KK Annotated Anodyne CC(C)NC(=N)c1ccc(OCc2cccc3c(COc4ccc(C(=N)NC(C)C)cc4)cccc23)cc1 ZINC000043122671 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[S@](=O)[C@@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000043122715 KK Annotated Anodyne O=C(NC(=S)N1CCc2c(OCCCCCOc3ccc(Cl)cc3)cccc21)c1ccsc1 ZINC000043123423 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(c1)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)c1cccc(OC(C)=O)c1N2 ZINC000043128937 KK Annotated Anodyne Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NS(=O)(=O)c4cc(F)c(F)cc4F)o3)cc(F)cc12 ZINC000043129961 KK Annotated Anodyne COc1cc(N)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 ZINC000043130471 KK Annotated Reactive O=C(OCc1ccc(Cl)cc1)c1cn(Cc2ccc(Cl)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O ZINC000043151812 KK Annotated Anodyne COc1cc2c(=O)c(C(=O)OCc3ccccc3C)cn(Cc3ccc(C(F)(F)F)cc3F)c2cc1OC ZINC000043151816 KK Annotated Anodyne CCC[C@@H](C)/C=C/C=C/[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C ZINC000043152082 KK Annotated Anodyne COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(N)=O)c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1 ZINC000043152309 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc(C(F)(F)F)cs2)c2ccc(Cl)cn2)c1 ZINC000043153364 KK Annotated Mild Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1 ZINC000043153366 KK Annotated Anodyne Cc1nc(N[C@](Cc2ccccc2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)sc1C ZINC000043153367 KK Annotated Anodyne Fc1cc(OC(F)(F)C(F)F)cc([C@@](Cc2ccccc2)(Nc2nc(C(F)(F)F)cs2)c2ccc(Cl)cn2)c1 ZINC000043153368 KK Annotated Mild CCCCCCCCCCCCCCCCOCCO[P@@]1(=O)CO[C@@H](Cn2cnc(N)nc2=O)CO1 ZINC000043153593 KK Annotated Mild CCCCCCCCCCCCCCCCOCCO[P@]1(=O)CO[C@@H](Cn2cnc(N)nc2=O)CO1 ZINC000043153594 KK Annotated Mild O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(-c2ccccc2)c2ccccc2n2nnnc12 ZINC000043154409 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@@H]2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1 ZINC000043169184 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1 ZINC000043169186 KK Annotated Anodyne CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000043170088 KK Annotated Anodyne C[C@@H](n1ncc2cc(NCc3ccc(Cl)cc3)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000043170595 KK Annotated Anodyne in-vivo NC1=Nc2cnc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000043171637 KK Annotated Anodyne NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCOCC1)CCc1cccc(c1)O3 ZINC000043171641 KK Annotated Anodyne NC1=Nc2cc(F)c3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000043171643 KK Annotated Anodyne CC(C)c1cc2c(c(-c3ccc(F)cc3)c1[C@@H](F)c1ccc(C(F)(F)F)cc1)[C@@H](O)CC1(CCC1)O2 ZINC000043172582 KK Annotated Anodyne in-vivo COc1cc2c(cc1OCCCCOc1cc3c(cc1OC)C(=O)N1CC(F)(F)C[C@H]1C=N3)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000043173110 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000043173944 KK Annotated Anodyne CCCCCCCC/C=C/[C@]12C(=O)[C@H]3O[C@H]3[C@H](O)[C@H]1[C@H]1C(=C[C@@H]2CCCCCCCC)C(=O)[C@H]2O[C@H]2[C@@H]1O ZINC000043174197 KK Annotated Mild O=c1c2ccncc2c(Cc2ccc(Cl)cc2)nn1C[C@H]1CCCN1CCCCc1ccc(OCCCN2CCCCCC2)cc1 ZINC000043175214 KK Annotated Anodyne Cc1ccnc(NCc2cnc(-c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)O)cc3)s2)c1 ZINC000043176804 KK Annotated Anodyne O=C(CSC(=O)N1CCCc2cc(Cl)cc(Cl)c21)Nc1ccc(C(=O)NCc2ccccc2)cc1Cl ZINC000043177910 KK Annotated Anodyne CC[C@](NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)(C(=O)O)c1ccccc1 ZINC000043178769 KK Annotated Anodyne CC[C@@](NC(=O)c1ccc2ccccc2c1OCc1ccc(C(F)(F)F)cc1)(C(=O)O)c1ccccc1 ZINC000043178770 KK Annotated Anodyne O=C(NC1(C(=O)O)CCOCC1)c1cc(F)c2ccccc2c1OCc1ccc(SC(F)(F)F)cc1 ZINC000043178771 KK Annotated Anodyne COc1ccc(/C(=C/c2c(Cl)cncc2Cl)OC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1OC ZINC000043178906 KK Annotated Anodyne in-vivo CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000043193736 KK Annotated Anodyne CC(=O)N1[C@H]2CCC[C@@H]1C=C(CN1[C@H]3CC[C@@H]1CC(NC(=O)Nc1cc(F)cc(C(F)(F)F)c1)C3)C2 ZINC000043194031 KK Annotated Anodyne CC(C)(C)CC[C@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000043194397 KK Annotated Mild CC(C)(C)C#C[C@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000043194398 KK Annotated Mild CCOC(=O)c1ccc(-n2c(CC)c(C3CCN(CCCSc4ccc(F)cc4)CC3)c3ccc(F)cc32)nc1 ZINC000043195446 KK Annotated Anodyne Cc1cc(C#N)cc(Cl)c1Oc1nc(NC2CCN(c3cccc(C(N)=O)c3)CC2)ncc1Br ZINC000043196044 KK Annotated Mild CC(C)C1=C(C(=O)N2[C@@H](C)CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000043196242 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc4ncccc4c32)cc1 ZINC000043196361 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccccc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000043196519 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000043196529 KK Annotated Anodyne COC(=O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000043196830 KK Annotated Mild Nc1nc2c(c(-c3c(Cl)cc(Cl)cc3OCCCC(F)(F)F)n1)CN(C(=O)NC1CCC1)C2 ZINC000043197651 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 ZINC000043197829 KK Annotated Anodyne O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1 ZINC000043199516 KK Annotated Anodyne C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000043199630 KK Annotated Reactive C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000043199631 KK Annotated Reactive C=C(c1ccc(Oc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000043199632 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)O[C@@](C)(CC(=O)C=C(C)C)[C@@H](O)C2 ZINC000043199795 KK Annotated Mild CN(C)CCCN(C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)C1 ZINC000043199963 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccc(F)cc4)CC3)cc1C)C2 ZINC000043199975 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccc(C)cc4)CC3)cc1C)C2 ZINC000043199976 KK Annotated Mild COc1cccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000043200302 KK Annotated Anodyne CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)cc(Cl)c3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000043200605 KK Annotated Anodyne CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)ccc3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000043200606 KK Annotated Anodyne CCOC(=O)c1cc2c(N3CCC[C@H](Nc4nc(N)c(C(C)=O)s4)C3)nc(-c3ccc(Cl)cc3Cl)cn2n1 ZINC000043201673 KK Annotated Anodyne CCOC(=O)c1cc2c(N3CCC[C@@H](Nc4nc(N)c(C(C)=O)s4)C3)nc(-c3ccc(Cl)cc3Cl)cn2n1 ZINC000043201674 KK Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4c(C)cc(C)cc4N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000043201895 KK Annotated Anodyne CCCO[C@@H](c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC)C(C)(C)C ZINC000043202275 KK Annotated Anodyne investigational CCCO[C@H](c1cccc(-c2csc(NC(=O)c3cc(Cl)c(/C=C(\C)C(=O)O)c(Cl)c3)n2)c1OC)C(C)(C)C ZINC000043202276 KK Annotated Anodyne investigational Fc1cccc(-c2nc3cnn(Cc4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)no4)cc-3n2)c1F ZINC000043202278 KK Annotated Mild CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)CC(C)(C)O2 ZINC000043203227 KK Annotated Anodyne CN(C/C=C/C(=O)N1CCc2c(sc3ncnc(Nc4cc(O)c(Cl)c(Cl)c4)c23)C1)C(C)(C)C ZINC000043203720 KK Annotated Anodyne CCCCCS(=O)(=O)/N=C(\O)[C@H]1C[C@@H]1c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000043204035 KK Annotated Mild CC(C)CCN(Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)O)c1)Cc1ccc(F)c(F)c1 ZINC000043205307 KK Annotated Anodyne CC(C)CCN1[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)O)c2)CCC[C@@H]1C(F)(F)F ZINC000043205312 KK Annotated Anodyne CC(C)CCN1C[C@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)O)c2)CC[C@@H]1C(F)(F)F ZINC000043205314 KK Annotated Anodyne C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000043206341 KK Annotated Mild COc1cc(N2CCN(C3CCN(c4ccc(F)c5c(OC)cc(C(F)(F)F)nc45)CC3)CC2)c2ncccc2c1 ZINC000043206372 KK Annotated Anodyne O=C(Nc1ccc(-c2nnn[nH]2)cc1F)[C@H](C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21 ZINC000043206478 KK Annotated Anodyne Cc1c(F)cccc1Cc1nccc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c12 ZINC000043206829 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC[C@@H]1CCSS1 ZINC000043206943 KK Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc(-c4ccc(OC(F)(F)F)cc4)[nH]c3c2)c1F ZINC000043207322 KK Annotated Anodyne COc1cc2c(cc1OCCCOc1ccc(-c3cc4ccccc4c4ccccc34)cc1)N=C[C@@H]1CCCN1C2=O ZINC000043207413 KK Annotated Bother CN(C)c1ccc(-c2nc3cc(/C=C/C4=C(C#N)C(=C(C#N)C#N)OC4(C)C)ccc3s2)c2ccccc12 ZINC000043207531 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CSc2cccc(CO)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000043207706 KK Annotated Mild CCCOc1ccc(-c2ccc(Cn3cc4nc(-c5cccc(F)c5F)nc-4cn3)nn2)c(C(F)(F)F)c1 ZINC000043207852 KK Annotated Anodyne Fc1cccc(-c2nc3cnn(Cc4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)nc4)cc-3n2)c1F ZINC000043207853 KK Annotated Mild Fc1cccc(-c2nc3cnn(Cc4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4)cc-3n2)c1F ZINC000043207855 KK Annotated Mild CN1C[C@@](C)(c2cc(F)cc(F)c2)N(C/C=C/c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2 ZINC000043207902 KK Annotated Anodyne COc1cc(-c2ccc(COc3ccc4c(c3)[C@@](C)(CC(=O)O)CC4)cc2[C@H](OC)C(C)(C)C)c(F)cn1 ZINC000043208050 KK Annotated Anodyne O=C(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1)Oc1ccc(N(CCCl)CCCl)cc1 ZINC000043208638 KK Annotated Reactive C[C@@H]1CC(C)(C)N[C@H](C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 ZINC000043211860 KK Annotated Reactive C[C@@H]1CC(C)(C)N[C@@H](C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 ZINC000043211864 KK Annotated Reactive C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000043215342 KK Annotated Reactive in-vitro C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000043215343 KK Annotated Reactive in-vitro C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000043215344 KK Annotated Reactive in-vitro C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O ZINC000043215345 KK Annotated Reactive in-vitro COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)[C@@H]5OC(C)=O)c2c1)C[C@H](C)OC3 ZINC000043215390 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN/C(=N\c1cc(C)nc2ccccc12)Nc1nccs1 ZINC000043226365 KK Annotated Mild CCCCCCCCN=C1CCN(CCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)CC1 ZINC000043226384 KK Annotated Mild COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c([C@H]4C(=O)c5c(OC)cc(OC)cc5O[C@H]4c4ccc(OC)cc4)c3O2)cc1 ZINC000043226613 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c([C@@H]4C(=O)c5c(OC)cc(OC)cc5O[C@H]4c4ccc(OC)cc4)c3O2)cc1 ZINC000043226617 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@H]([C@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@@H]2O ZINC000043226831 KK Annotated Anodyne CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@@H]2O ZINC000043226833 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000043241967 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000043241971 KK Annotated Anodyne CSc1ccc(P(CCP(c2ccc(SC)cc2)c2ccc(SC)cc2)c2ccc(SC)cc2)cc1 ZINC000043242301 KK Annotated Reactive CCc1cc(Oc2cccc(N(Cc3cccc(C(F)(F)C(F)(F)F)c3)C[C@@H](O)C(F)(F)F)c2)ccc1Cl ZINC000043242341 KK Annotated Mild COc1ccc(P(CCP(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000043242400 KK Annotated Reactive CN(C)c1ccc(P(CCP(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000043260082 KK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(CSc2ccccc2)=N1 ZINC000043260375 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(CSc2ccccc2)=N1 ZINC000043260379 KK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(CSc2ccccc2)=N1 ZINC000043260589 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(CSc2ccccc2)=N1 ZINC000043260594 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000043260639 KK Annotated Reactive CCO/C(O)=C1\C(C[S@@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000043260642 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000043260647 KK Annotated Reactive CCO/C(O)=C1\C(C[S@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000043260650 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@](=O)c2ccccc2)=N1 ZINC000043260775 KK Annotated Reactive CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000043260780 KK Annotated Reactive CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000043260784 KK Annotated Reactive CCOC(=O)C1=C(C[S@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000043260787 KK Annotated Reactive CCOC(=O)C1=C(C[S@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000043260791 KK Annotated Reactive C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1ccc(C)c(F)c1 ZINC000043260940 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1ccsc1 ZINC000043261053 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cc(O)cc(O)c1 ZINC000043273750 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cccc(OC)c1 ZINC000043273773 KK Annotated Anodyne CCCCCCCCCCCCO/N=C(\CCCCCC)c1cc(OC)c2c(c1OC)C(=O)C=CC2=O ZINC000043273846 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cc(F)cc(F)c1 ZINC000043273883 KK Annotated Anodyne CCCCCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000043273885 KK Annotated Mild CCCCCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000043273887 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1ccccc1 ZINC000043273925 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cccc(O)c1C ZINC000043273944 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC[C@@H](CC[P@@](=O)(O)OCC[N+](C)(C)C)n1cncn1 ZINC000043274077 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CC[P@@](=O)(O)OCC[N+](C)(C)C)n1cncn1 ZINC000043274079 KK Annotated Mild CCCCCCCCN1C(=O)NC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)C1=O ZINC000043278778 KK Annotated Mild CCCC[C@H]1C(=O)N([C@@H](C2SCCCS2)[C@H]2OC(C)(C)O[C@H]2[C@@H]2COC(C)(C)O2)[C@H]1/C(C)=C/c1ccccc1 ZINC000043278780 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)[C@@H](OC(C)=O)C=C1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)[C@H](O)CCC(C)C ZINC000043284669 KK Annotated Anodyne CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCc4c3C)C(=O)[C@]1(C)CC ZINC000043300247 KK Annotated Bother CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCc4c3C)[C@@](O)(CC)[C@]1(C)O ZINC000043300541 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000043307412 KK Annotated Anodyne C[C@]1(c2ccccc2)c2cc(C(=O)O)sc2C(=O)c2c1c1ccccc1n2Cc1ccc(OCC(=O)O)cc1 ZINC000043322894 KK Annotated Anodyne C[C@@]1(c2ccccc2)c2cc(C(=O)O)sc2C(=O)c2c1c1ccccc1n2Cc1ccc(OCC(=O)O)cc1 ZINC000043322897 KK Annotated Anodyne CCCCCCCCCCS(=O)(=O)N[C@@H](CCCCCC)COS(=O)(=O)CCCOCc1ccccc1 ZINC000043323530 KK Annotated Mild CCCCCCCCCCS(=O)(=O)N[C@H](CCCCCC)COS(=O)(=O)CCCOCc1ccccc1 ZINC000043323533 KK Annotated Mild C[N+](C)(C)Cc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(O)c(C[N+](C)(C)C)c4)c4ccc(cc5ccc2[nH]5)n4)n3)ccc1O ZINC000043328105 KK Annotated Clean CCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000043328189 KK Annotated Mild CCCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000043334966 KK Annotated Mild COC(=S)CCCC=C(c1cc(Cl)c(OC)c(C(=S)OC)c1)c1cc(Cl)c(OC)c(C(=S)OC)c1 ZINC000043334976 KK Annotated Anodyne CCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000043334988 KK Annotated Mild CCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O ZINC000043335124 KK Annotated Mild CCCCCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000043335174 KK Annotated Mild CCCCCCCCCCc1sc(NS(=O)(=O)/C=C/c2ccccc2Cl)nc1-c1ccccc1 ZINC000043335206 KK Annotated Mild CCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000043335229 KK Annotated Mild CCCCCCC/N=C1\C[C@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000043352500 KK Annotated Mild CCCCCCC/N=C1\C[C@@H](c2cccc(C(F)(F)F)c2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000043352503 KK Annotated Mild CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1Cc1ccccc1 ZINC000043352592 KK Annotated Mild CCCC[C@]1([C@@H](O)/C=C/C(C)=C/C(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1 ZINC000043352621 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCNC[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043352637 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCNC[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043352640 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCNC[C@H](O)COC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 ZINC000043352642 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCNC[C@@H](O)COC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 ZINC000043352644 KK Annotated Mild CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 ZINC000043352714 KK Annotated Mild CCCC[C@@]1(OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000043352774 KK Annotated Anodyne CCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1 ZINC000043356544 KK Annotated Anodyne CCCCCCCCCCCC(=O)N1C(=O)O[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H]1CCC ZINC000043356579 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](OC(C)=O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000043356652 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)OC)[C@@H](OC(C)=O)C[C@@H]5O[C@H](C[C@]12C)[C@]31C[C@]541)C(C)C ZINC000043356675 KK Annotated Mild C=C(C)[C@@H]1CC[C@H]([C@H]2CC[C@@]3(C)[C@@H]4CC[C@H]5[C@](C)(C(=O)OC)[C@@H](O)C[C@H](O)[C@@]56C[C@@]46CC[C@]23C)[C@@H](OC)O1 ZINC000043356678 KK Annotated Mild CCCCCCCCCCOc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1OCCCCCCCCCC ZINC000043356699 KK Annotated Mild CCCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)NCc1ccncc1)NC(=O)C(C)(C)C ZINC000043361972 KK Annotated Mild C=C(OCCCCCCCCCCC)[C@@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCC ZINC000043362100 KK Annotated Mild C=C(OCCCCCCCCCCC)[C@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCC ZINC000043362102 KK Annotated Mild O=[N+]([O-])c1ccc(SCCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 ZINC000043362177 KK Annotated Reactive C=C(OCCCCCCCCCCCCCCC)[C@@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCCCCCC ZINC000043365819 KK Annotated Mild C=C(OCCCCCCCCCCCCCCC)[C@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCCCCCC ZINC000043365821 KK Annotated Mild CO/N=C1\C[C@]2(C)CC[C@@H]3C4=C[C@@H]5O[C@@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C[C@H]1N ZINC000043380045 KK Annotated Anodyne CO/N=C1\C[C@]2(C)CC[C@H]3C4=C[C@@H]5O[C@@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C[C@H]1N ZINC000043380047 KK Annotated Anodyne CO/N=C1\C[C@]2(C)CC[C@@H]3C4=C[C@@H]5O[C@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C[C@H]1N ZINC000043380049 KK Annotated Anodyne CO/N=C1\C[C@]2(C)CC[C@H]3C4=C[C@@H]5O[C@]6(CC(C)(C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@]3(C)[C@@]2(C)C[C@H]1N ZINC000043380051 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000043381910 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000043381911 KK Annotated Reactive CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000043382007 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Br ZINC000043382009 KK Annotated Mild C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)C3 ZINC000043382070 KK Annotated Anodyne Nc1ccc2c(NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cc(N)ccc3c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 ZINC000043393694 KK Annotated Clean O=[N+]([O-])c1ccc(/N=N/c2c3cc(O)ccc3c(NNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3cc(O)ccc23)c([N+](=O)[O-])c1 ZINC000043393714 KK Annotated Clean COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000043397010 KK Annotated Anodyne CCCCCCCCCCCCNCCCCCCN(CCCCCCCCCCCC)/[N+]([O-])=N/O ZINC000043397138 KK Annotated Mild CN(C)CCCCCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCCCCN(C)C)c2ccccc12 ZINC000043397157 KK Annotated Mild Nc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1N ZINC000043409134 KK Annotated Reactive c1cc2c(cc1COCCCCCCNCCSSCCNCCCCCCOCc1ccc3c(c1)OCO3)OCO2 ZINC000043409178 KK Annotated Reactive CN(CCCCCCN1CNc2ccccc2C1)CCSSCCN(C)CCCCCCN1CNc2ccccc2C1 ZINC000043409256 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000043411366 KK Annotated Reactive COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000043411416 KK Annotated Reactive CC(=O)O[C@@H]1[C@H](c2ccc(=O)oc2)[C@@]2(C)CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@]34C)[C@]23O[C@H]13 ZINC000043411550 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000043422718 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043422726 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043422727 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043422728 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043422729 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)C[C@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000043422762 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)C[C@@H]1O[C@@H](SC/C=C/c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000043422763 KK Annotated Mild COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000043422812 KK Annotated Anodyne COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000043422813 KK Annotated Anodyne COc1cc(OC)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000043422814 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000043427032 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000043427034 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000043427037 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000043427040 KK Annotated Anodyne CCCCCCCCCCCC=C1CCC(OCCO[P@@](=O)(O)OCC[N+]2(C)CCCCC2)CC1 ZINC000043427317 KK Annotated Mild CCCCCCCCCCCC=C1CCC(OCCO[P@@](=O)(O)OCC[N+]2(C)CCOCC2)CC1 ZINC000043427436 KK Annotated Mild CCCCCCCCCCCCCC=C1CCC(OCCO[P@@](=O)(O)OCC[N+]2(C)CCOCC2)CC1 ZINC000043439575 KK Annotated Mild C=C1C=CCC(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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000043443130 KK Annotated Mild CC[N+](C)(CCCCCCOCCCCCCCCOCCCCCC[N+](C)(CC)Cc1ccccc1OC)Cc1ccccc1OC ZINC000043443132 KK Annotated Bother O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(CCCc2nnn[nH]2)cc1 ZINC000043443293 KK Annotated Mild CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@H](C)[C@]13CC ZINC000043443369 KK Annotated Anodyne O=C(N1CCc2ccccc2C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043443398 KK Annotated Mild CCCCCCCO[C@@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)O[C@@H]2CO[C@@H](c3ccc(OC)cc3)O[C@@H]12 ZINC000043450361 KK Annotated Mild O=C(NCCCCCc1nnn[nH]1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000043450410 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CNc1ccc(Cc2nnn[nH]2)cc1 ZINC000043450435 KK Annotated Mild O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(/C=C/CN3CCN(c4ccccc4)CC3)cc1C2)c1ccc(Cl)s1 ZINC000043450691 KK Annotated Anodyne CC1=C(Br)C=C(C#N)C(=O)[C@H]1Cn1cncc1COCc1ccc(C#N)cc1-c1ccc2c(c1)OCO2 ZINC000043462788 KK Annotated Reactive CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000043462829 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)/C(=N\O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000043462840 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)/C(=N\O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@@H]1[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 ZINC000043462846 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1N[C@@H](c2cc(OC)c(OC)c(OC)c2)SC1(C)C ZINC000043470176 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1N[C@H](c2cc(OC)c(OC)c(OC)c2)SC1(C)C ZINC000043470178 KK Annotated Mild CCCCCCCCCCCCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000043481696 KK Annotated Mild CCCCCCCCCCCCCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000043481699 KK Annotated Mild CCCCCCCCCCCCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000043481707 KK Annotated Mild CCCCCCCCCCCCCCC(COC(=O)C[n+]1ccccc1)COC(=O)C[n+]1ccccc1 ZINC000043481808 KK Annotated Mild CCCCCCCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S ZINC000043481893 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000043481982 KK Annotated Mild CC(=O)OC[C@@]12CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000043482127 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000043482130 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000043482133 KK Annotated Reactive CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O ZINC000043482136 KK Annotated Reactive N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCCCCCCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 ZINC000043490899 KK Annotated Reactive CCN(CC)C(=O)O[C@@H]1c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC(C)(C)[C@@H]1OC(=O)N(CC)CC ZINC000043491052 KK Annotated Bother ClP1(Cl)=N[P@]2(Cl)=N[P@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 ZINC000043491197 KK Annotated Reactive ClP1(Cl)=N[P@]2(Cl)=N[P@@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 ZINC000043491200 KK Annotated Reactive ClP1(Cl)=N[P@@]2(Cl)=N[P@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 ZINC000043491203 KK Annotated Reactive ClP1(Cl)=N[P@@]2(Cl)=N[P@@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 ZINC000043491207 KK Annotated Reactive CCc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)[C@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CC)c(C)c3CC ZINC000043504308 KK Annotated Anodyne CN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cc2nnn(C)n2)cc1 ZINC000043504412 KK Annotated Mild CN(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cc2nnnn2C)cc1 ZINC000043504502 KK Annotated Mild CCCCCCCCCCCCN=c1ccn(CCCCCCCCCn2ccc(=NCCCCCCCCCCCC)cc2)cc1 ZINC000043504573 KK Annotated Mild C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@]3(CC[C@@H]12)C[S@](=O)[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2C1)C3 ZINC000043511423 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)C[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)CS3 ZINC000043511664 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000043523651 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(O)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000043523734 KK Annotated Reactive CC(C)NCCCN(CCCCN(CCCNC(C)C)Cc1ccc2ccccc2c1)Cc1ccc2ccccc2c1 ZINC000043523788 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000043523821 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000043523848 KK Annotated Reactive COC(=O)c1c(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)c2n1CCc1cc(O)c(OC)cc1-2 ZINC000043523864 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=CC1(C)C ZINC000043523876 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(OCC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000043523913 KK Annotated Reactive O=C(/C=C/CCCCCCCCCCBr)C[C@H](O)CCCCCCCCCCBr ZINC000043523972 KK Annotated Reactive O=C(/C=C/CCCCCCCCCCBr)C[C@@H](O)CCCCCCCCCCBr ZINC000043523974 KK Annotated Reactive O=C(Nc1ccc2cc3ccccc3nc2c1COC(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccc([N+](=O)[O-])cc1 ZINC000043524119 KK Annotated Bother COC(=O)c1c(-c2cc(O)c(O)cc2O)c(-c2cc(OC)ccc2OC)c2c3cc(OC)c(O)cc3ccn12 ZINC000043524257 KK Annotated Clean CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000043524309 KK Annotated Reactive COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 ZINC000043524330 KK Annotated Bother C=CCCC(=O)O[C@@H]1c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC(C)(C)[C@@H]1OC(=O)CCC=C ZINC000043524333 KK Annotated Mild Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 ZINC000043524385 KK Annotated Reactive Cc1cc(N)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 ZINC000043524507 KK Annotated Reactive COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)c1ccccc1)C(C)(C)O2 ZINC000043524513 KK Annotated Bother CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C(C)C1(C)C ZINC000043531530 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(O)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000043531569 KK Annotated Reactive COc1ccc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)cc1N ZINC000043531609 KK Annotated Reactive CCC(=O)OCc1cc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCO3)ccc1S(=O)(=O)/N=C(\O)CC ZINC000043531735 KK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C(C)[C@@H]1C ZINC000043531751 KK Annotated Anodyne COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)N[C@@H](C)c3ccccc3)C=CC(=O)[C@]12C ZINC000043531795 KK Annotated Mild COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)N[C@H](C)c3ccccc3)C=CC(=O)[C@]12C ZINC000043531798 KK Annotated Mild OCc1cc(O)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 ZINC000043531842 KK Annotated Reactive CC(C)c1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000043531906 KK Annotated Anodyne CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)Oc1cc(OC)ccc1[C@]21OC(=O)c2ccccc21 ZINC000043531936 KK Annotated Anodyne CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)Oc1cc(OC)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000043531939 KK Annotated Anodyne CCO/C(O)=C/C=C(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1 ZINC000043531966 KK Annotated Mild CCO/C(O)=C/C=C(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000043531971 KK Annotated Mild CCO/C(O)=C/C=C(C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000043531975 KK Annotated Mild COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)O ZINC000043532060 KK Annotated Anodyne COc1cc(C2=NN(C(=O)COc3ccc4ccccc4c3)[C@@H](Cc3ccccc3)C2)c(C)cc1OCC(=O)O ZINC000043532062 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000043532093 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc1[C@]21OC(=O)c2ccccc21 ZINC000043532097 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCCCC(F)(F)C(F)(F)F)C(=O)O ZINC000043532117 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCCCC(F)(F)C(F)(F)F)C(=O)O ZINC000043532120 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc1[C@]21OC(=O)c2ccccc21 ZINC000043532129 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000043532134 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@@H](CCCCC(F)(F)C(F)(F)F)C(=O)O ZINC000043532138 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@H](CCCCC(F)(F)C(F)(F)F)C(=O)O ZINC000043532141 KK Annotated Anodyne CCC(=O)OCc1cc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)ccc1S(=O)(=O)/N=C(\O)CC ZINC000043532179 KK Annotated Mild CCC(=O)OCc1cc(-n2nc(C(F)F)cc2-c2ccc(OC)c(C)c2)ccc1S(=O)(=O)/N=C(\O)CC ZINC000043532316 KK Annotated Mild Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](OCCOC(=O)COc1cccc(C3(C(F)(F)F)N=N3)c1)C2(C)C ZINC000043543814 KK Annotated Clean Cc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2n1-c1ccc(OC(C)C)cc1 ZINC000043543835 KK Annotated Anodyne Cc1cccc(N2CCN(Cc3cn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)nn3)CC2)c1 ZINC000043543886 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(C(=O)OCc3ccccc3)CC2)nn1)OC1CCCC1 ZINC000043543905 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(C3CCCCC3)CC2)nn1)OC1CCCC1 ZINC000043543953 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)C3CCCCC3)nn2)CC1 ZINC000043543991 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cccc(O)c3)CC2)nn1)OC1CCCC1 ZINC000043543994 KK Annotated Anodyne COc1c(Br)cc(Br)cc1Oc1c(Br)ccc(Br)c1OC ZINC000043544022 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC[C@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544029 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC[C@@H](c3ccccc3)C2)nn1)OC1CCCC1 ZINC000043544030 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)NCC)CC[C@]3(C)[C@@H](CC[C@@]4(C)[C@@]3(C)CC[C@@]3(C)C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@]12C ZINC000043544070 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)NCC)CC[C@]3(C)[C@H](CC[C@@]4(C)[C@@]3(C)CC[C@@]3(C)C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@]12C ZINC000043544071 KK Annotated Mild C=C1CCCC(C)(C)[C@@H]1C[C@H](OC(=O)c1ccccc1)/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000043552609 KK Annotated Mild COc1ccc(-c2nn(-c3ccccc3)cc2C(c2c[nH]c3ccc([N+](=O)[O-])cc23)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000043552732 KK Annotated Bother 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)COC(=O)c1ccccc1 ZINC000043552744 KK Annotated Mild CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@](C)([C@@H](OC(C)=O)C[C@@H]3[C@@]4(C)CCC[C@](C)(CC)[C@@H]4CC[C@@]23C)[C@@H](C(=O)O)[C@@H]1C(C)=O ZINC000043552799 KK Annotated Anodyne CC[C@@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@](C)([C@@H](OC(C)=O)C[C@@H]3[C@@]4(C)CCC[C@](C)(CC)[C@@H]4CC[C@@]23C)[C@@H](C(=O)O)[C@@H]1C(C)=O ZINC000043552801 KK Annotated Anodyne C=C1C(=O)[C@@]23CC[C@H]4[C@H](C(=O)OC)C[C@@H](OC(=O)[C@@H]5OC(c6ccccc6)=N[C@H]5c5ccccc5)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000043552810 KK Annotated Mild C=C1C(=O)[C@@]23CC[C@@H]4[C@H](C(=O)OC)C[C@@H](OC(=O)[C@@H]5OC(c6ccccc6)=N[C@H]5c5ccccc5)C[C@@]4(C)[C@@H]2CC[C@@H]1C3 ZINC000043552812 KK Annotated Mild COc1c(SC)c(CCN(C)C)c2sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c1OC ZINC000043552814 KK Annotated Bother in-vitro Cc1cc2c3c4c(c(O)c5c(=O)c(C)cc(c6c7c(c(=O)c(c1O)c26)[C@@H](C)O[C@@H](C)C7)c53)[C@@H](C)O[C@@H](C)C4 ZINC000043552875 KK Annotated Bother C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000043552887 KK Annotated Mild CCCCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NCCC)=CC3=O)n1 ZINC000043552899 KK Annotated Mild CCCCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)CCl)=CC3=O)n1 ZINC000043552932 KK Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000043562035 KK Annotated Anodyne C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C ZINC000043562051 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C ZINC000043562052 KK Annotated Mild O=C(NN(C(=O)c1ccccc1)C(=O)c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 ZINC000043562105 KK Annotated Reactive CCCc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000043562172 KK Annotated Anodyne CCCc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc([C@H](O)CC)cc31)c1cc(O)cc(O)c1C2=O ZINC000043562173 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000043569460 KK Annotated Anodyne C=C(c1ccc(OC)cc1)[C@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 ZINC000043569534 KK Annotated Reactive CCCCCCCCCCCNC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000043569834 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)c(F)c2)c1)C(F)(F)F ZINC000043574578 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)c(F)c2)c1)C(F)(F)F ZINC000043574579 KK Annotated Mild CCCCCCCCCC[C@H](O)COCCOC[C@@H](O)CCCCCCCCCCCCC1=CC(C)(C)N(C)C1=O ZINC000043574708 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2CC(F)(F)F)c1)C(F)(F)F ZINC000043574722 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2CC(F)(F)F)c1)C(F)(F)F ZINC000043574724 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br ZINC000043574748 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(CC(F)(F)F)c2)c1)C(F)(F)F ZINC000043574790 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(CC(F)(F)F)c2)c1)C(F)(F)F ZINC000043574792 KK Annotated Mild CCCCCCCCCCCCCCCCN(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043574801 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCCO[P@@]1(=O)CO[C@@H](Cn2cnc(N)nc2=O)CO1 ZINC000043574803 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCCO[P@]1(=O)CO[C@@H](Cn2cnc(N)nc2=O)CO1 ZINC000043574805 KK Annotated Mild O[C@@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2OC(F)(F)F)c1)C(F)(F)F ZINC000043574820 KK Annotated Mild O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(OCc2ccccc2OC(F)(F)F)c1)C(F)(F)F ZINC000043574822 KK Annotated Mild CC[C@@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCC1 ZINC000043574862 KK Annotated Mild CC[C@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCC1 ZINC000043574864 KK Annotated Mild CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000043574867 KK Annotated Reactive COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCc3ccc4c(OC)ccc(OC)c4c3)=C(OOC(C)(C)C)CC[C@@H]12 ZINC000043574869 KK Annotated Reactive CCCCCCCCCCC#Cc1cn(COCCO)c(=O)n(C#CCCCCCCCCCC)c1=O ZINC000043587290 KK Annotated Mild Brc1ccc(Cn2ccc3nc(-c4cc(Br)cc(Br)c4)nc-3c2)cc1 ZINC000043587300 KK Annotated Anodyne O=[N+]([O-])[C@H]1[C@H](c2ccccc2Br)CCN(Cc2cccnc2)[C@@H]1c1ccc(O)c(I)c1 ZINC000043587316 KK Annotated Bother COC(=O)Nc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000043587317 KK Annotated Bother CCCCCCCCCCCCCCCCCCO[P@@]1(=O)CO[C@@H](Cn2cnc(N)nc2=O)CO1 ZINC000043587447 KK Annotated Mild CCCCCCCCCCCCCCCCCCO[P@]1(=O)CO[C@@H](Cn2cnc(N)nc2=O)CO1 ZINC000043587449 KK Annotated Mild CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000043587451 KK Annotated Reactive CCCCCCCCCCCCCCc1sc2nc(SC)n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000043587530 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)NCCNC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043589865 KK Annotated Mild CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)n1cc(CCCCCCCCCCCCC)nn1 ZINC000043589900 KK Annotated Mild CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)n1cc(CCCCCCCCCCCCC)nn1 ZINC000043589910 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043589919 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(=O)C(F)(F)F)c1ccc(C(=O)[C@@H](C(=O)OCC)C(=O)OC(C)(C)C)cc1 ZINC000043599072 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(=O)C(F)(F)F)c1ccc(C(=O)[C@H](C(=O)OCC)C(=O)OC(C)(C)C)cc1 ZINC000043599075 KK Annotated Mild CCCCCCCCCCCCCCCCNc1ccc(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000043599237 KK Annotated Mild CCCCCCCCCCCCCCCCNc1ccc(/C(O)=N/S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000043599771 KK Annotated Mild CCC/C(=N\OCc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000043606147 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606149 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(C(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606150 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606151 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(N(C)C)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606152 KK Annotated Mild CC/C(=N\OCc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000043606155 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(SC)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606194 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(SC)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606196 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C=N/OCc1ccc(C(F)(F)F)cc1C(F)(F)F)C(F)(F)F ZINC000043606202 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1/C(=N/OCc1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccccc1)C(F)(F)F ZINC000043606233 KK Annotated Mild CCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000043606240 KK Annotated Mild C/C(=N\OCc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000043606787 KK Annotated Mild CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)OC(=O)CNC=O ZINC000043617246 KK Annotated Mild CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)CC(C)C)[C@H](O)[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000043617250 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)[C@H](O)[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000043617305 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)CC[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000043617332 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(=O)c2cc(F)c(Cl)nc2Cl)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000043617348 KK Annotated Mild CCCCCCCCCCCC(=O)[C@]1(O)C[C@H](C(=O)OCC)C(C(=O)OCC)=C2N(Cc3ccccc3)CCN21 ZINC000043617393 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(=O)COCC(=O)O)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000043617434 KK Annotated Mild COc1cc([C@H]2C(C#N)=C(NC(=O)Nc3ccccc3)Oc3cc(N(C)C)ccc32)cc(Br)c1OC ZINC000043617500 KK Annotated Reactive COc1cc([C@@H]2C(C#N)=C(NC(=O)Nc3ccccc3)Oc3cc(N(C)C)ccc32)cc(Br)c1OC ZINC000043617502 KK Annotated Reactive CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000043617565 KK Annotated Mild CCCCCCCCCCCCCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C2CCCCC2)cc1 ZINC000043617578 KK Annotated Mild Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)Oc3ccccc3)nn2)CC1 ZINC000043620360 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC1=C(C)C(=O)[C@](C)(CN2c3ccccc3[C@]3(O)CCO[C@H]23)C1=O ZINC000043620439 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccc(Cl)cc3)CC2)nn1)OC1CCCC1 ZINC000043620442 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043620453 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043620454 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043627803 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H](C/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000043627825 KK Annotated Anodyne CCCCCCCCC#Cc1cn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)[nH]c1=O ZINC000043627909 KK Annotated Mild Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)C3CCCC3)nn2)CC1 ZINC000043628008 KK Annotated Anodyne C[C@@H](NC(=O)[C@@](C)(Cc1cn(P(=O)(O)O)c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 ZINC000043628078 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccccn3)CC2)nn1)OC1CCCC1 ZINC000043628084 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000043640895 KK Annotated Mild C=C1C(=O)O[C@@H]2CC(C)=C([C@@H](C)CCCOC(C)=O)[C@H](OC(=O)/C(Cc3ccccc3)=N/OCCCC)[C@H]12 ZINC000043641012 KK Annotated Mild CCNc1cccnc1N1CCN(CC(=O)[C@H]2[C@H](C)C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@]23C)CC1 ZINC000043641047 KK Annotated Anodyne CCNc1cccnc1N1CCN(CC(=O)[C@H]2[C@H](C)C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4=CC[C@]23C)CC1 ZINC000043641048 KK Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)[C@@H](CSc1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F ZINC000043641079 KK Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)[C@H](CSc1ccc(Cl)cc1)S(=O)(=O)C(F)(F)F ZINC000043641080 KK Annotated Anodyne C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000043649074 KK Annotated Anodyne in-vivo O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC(O)(c3ccccc3)CC2)nn1)OC1CCCC1 ZINC000043649323 KK Annotated Anodyne CCN(CC)C(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 ZINC000043649332 KK Annotated Anodyne COC(=O)[C@@H](CCCCCCCC[C@@H]1c2ccc(O)cc2SC[C@]1(C)c1ccc(O)cc1)CCCC(F)(F)C(F)(F)F ZINC000043649431 KK Annotated Anodyne COC(=O)[C@H](CCCCCCCC[C@@H]1c2ccc(O)cc2SC[C@]1(C)c1ccc(O)cc1)CCCC(F)(F)C(F)(F)F ZINC000043649435 KK Annotated Anodyne CCCCCCO[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1OC ZINC000043649605 KK Annotated Mild CN(C)CCCNC(=O)c1cc(C(C)(C)C)cc2c1Oc1c(C(=O)NCCCN(C)C)cc(C(C)(C)C)cc1C2(C)C ZINC000043649621 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C[C@H](C)CC)cc2OC(=O)C[C@H](C)CC)c(OC(=O)C[C@@H](C)CC)c1 ZINC000043649673 KK Annotated Anodyne CC[C@H](C)CC(=O)Oc1ccc(C(=O)c2ccc(OC(=O)C[C@@H](C)CC)cc2OC(=O)C[C@H](C)CC)c(OC(=O)C[C@@H](C)CC)c1 ZINC000043649676 KK Annotated Anodyne CCOP(=O)(OCC)C(CCC(=O)c1cccc(I)c1)P(=O)(OCC)OCC ZINC000043649756 KK Annotated Anodyne COc1ccc(-c2nc(S(=O)(=O)C(F)(F)C(Br)Br)[nH]c2-c2ccc(OC)cc2)cc1 ZINC000043649883 KK Annotated Reactive C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(C)cc2)[C@@]3(C)C1(C)C ZINC000043663798 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(C)cc2)[C@@]3(C)C1(C)C ZINC000043663800 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043663885 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043663886 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043663944 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)CC(C)C)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043663946 KK Annotated Mild CCCCCCCCCCCCOS(=O)(=O)/N=C(\O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C ZINC000043664219 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)OC[C@H](O)COC(C)=O)cc1 ZINC000043664435 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)OC[C@@H](O)COC(C)=O)cc1 ZINC000043664436 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OCc4ccccc4)cc2)[C@@]3(C)C1(C)C ZINC000043664467 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(OCc4ccccc4)cc2)[C@@]3(C)C1(C)C ZINC000043664469 KK Annotated Mild CCCCCCCCCCCCN=c1ccn(CCCCCCn2ccc(=NCCCCCCCCCCCC)cc2)cc1 ZINC000043664475 KK Annotated Mild CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000043676441 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccc(O)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000043676444 KK Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(F)cc2)[C@@]3(C)C1(C)C ZINC000043676544 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(F)cc2)[C@@]3(C)C1(C)C ZINC000043676546 KK Annotated Mild CCOC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676564 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676567 KK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@](C)(C[C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]1[C@@H](CC(=O)CC(C)C)CC(C)=C1C(=O)C=C(C)[C@H]12 ZINC000043676569 KK Annotated Mild CCOC(=O)N[C@@H](c1cccc(F)c1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676612 KK Annotated Anodyne CCOC(=O)N[C@@H](c1cccc(F)c1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043676615 KK Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)NCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043676909 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)NCCCC)c2ccccc2)[C@@]3(C)C1(C)C ZINC000043676912 KK Annotated Mild CCCCCCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCCCCCC)cc2)cc1 ZINC000043676943 KK Annotated Mild CCCCCCCN=c1ccn(CCCCCCCCCCCCCCn2ccc(=NCCCCCCC)cc2)cc1 ZINC000043677295 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccc(F)c2)[C@@]3(C)C1(C)C ZINC000043677336 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2cccc(F)c2)[C@@]3(C)C1(C)C ZINC000043677339 KK Annotated Mild CCCCCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCCCCC)cc2)cc1 ZINC000043682700 KK Annotated Mild CCCCCCCCCN=c1ccn(CCCCCCCCCn2ccc(=NCCCCCCCCC)cc2)cc1 ZINC000043682732 KK Annotated Mild CCCCCCCCCN=c1ccn(CCCCCCCCn2ccc(=NCCCCCCCCC)cc2)cc1 ZINC000043682764 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000043683031 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCC(CO[P@@](=O)(O)OCC[N+](C)(C)C)(OC)OC ZINC000043683117 KK Annotated Mild O=C(NCCCCN1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1)c1ccc(-c2ccc(N3CCCC3=O)cc2)cc1 ZINC000043692901 KK Annotated Unstable CC[C@@H]1CO[C@@H]2[C@@H](C)O[C@@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@]45C(=O)O)C[C@H]12 ZINC000043692950 KK Annotated Mild CCCCCCCCC/C=C\CCCCCCCN1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000043692967 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 ZINC000043692986 KK Annotated Mild CO[C@H]1CN(Cc2ccc(SC)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000043693022 KK Annotated Mild CCCCCCCCCCCCCC[C@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000043693044 KK Annotated Mild CCCCCCCCCCCCCC[C@@H](O)CN1CCN(C2c3ccccc3CCc3ccccc32)CC1 ZINC000043693046 KK Annotated Mild CO[C@H]1CN(CC=C(Cl)Cl)C[C@H](OC[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)O[C@@H]1C ZINC000043693050 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@@H]4[C@H](C(C)C)CO[C@@H]4[C@@H](C)O2)[C@@]13C(=O)O ZINC000043693067 KK Annotated Mild CO[C@H]1CN(Cc2ccccc2)C[C@H](OC[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)O[C@@H]1C ZINC000043693069 KK Annotated Mild COc1ccc(CN2C[C@H](OC)[C@@H](C)O[C@@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@]45C(=O)O)C2)cc1 ZINC000043693135 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@H]2C[C@H]4[C@H](OCC4(C)C)[C@@H](C)O2)[C@@]13C(=O)O ZINC000043693137 KK Annotated Mild CO[C@H]1CN(Cc2ccc(C#N)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000043693145 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1c(-c2ccccc2)c(-c2ccccc2)n2ccc(C=O)cc12 ZINC000043693403 KK Annotated Mild CCOC(=O)N[C@@H](c1ccc(F)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043705842 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(F)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043705843 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043705990 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043705992 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043705998 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043706000 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043706025 KK Annotated Anodyne CCOC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043706027 KK Annotated Anodyne C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(Cl)cc2)[C@@]3(C)C1(C)C ZINC000043706033 KK Annotated Mild C=C1C[C@@]23O[C@]2(c2ccccc21)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccc(Cl)cc2)[C@@]3(C)C1(C)C ZINC000043706034 KK Annotated Mild CCCCCCCCCCN=c1ccn(CCCCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1 ZINC000043706038 KK Annotated Mild CCCCCCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1 ZINC000043706043 KK Annotated Mild CCCCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043706053 KK Annotated Anodyne CCCCNC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@H](C)c4ccccc4[C@@]21O3 ZINC000043706055 KK Annotated Anodyne CCCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCCC)cc2)cc1 ZINC000043706070 KK Annotated Mild CCCCCCCCN=c1ccn(CCCCCCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1 ZINC000043706093 KK Annotated Mild CCCCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1 ZINC000043706112 KK Annotated Mild CCCCCCCCCN=c1ccn(CCCCCCn2ccc(=NCCCCCCCCC)cc2)cc1 ZINC000043706127 KK Annotated Mild CCCCCCCCCCN=c1ccn(CCCCCCCCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1 ZINC000043706176 KK Annotated Mild CCCCCCCCCCCCN=c1ccn(CCCCCCCn2ccc(=NCCCCCCCCCCCC)cc2)cc1 ZINC000043706293 KK Annotated Mild CCCCCCCCCN=c1ccn(CCCCCCCCCCCCn2ccc(=NCCCCCCCCC)cc2)cc1 ZINC000043706309 KK Annotated Mild CCCCCCCCN=c1ccn(CCCCCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1 ZINC000043706310 KK Annotated Mild CCCCCCCCCCCCN=c1ccn(CCCCCCCCn2ccc(=NCCCCCCCCCCCC)cc2)cc1 ZINC000043706618 KK Annotated Mild CCCCCCCCN=c1ccn(CCCCCCCCCn2ccc(=NCCCCCCCC)cc2)cc1 ZINC000043706654 KK Annotated Mild CCCCc1ccc(S(=O)(=O)CC2=NC(C)=C(C#N)[C@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 ZINC000043799608 KK Annotated Reactive CCCCc1ccc(S(=O)(=O)CC2=NC(C)=C(C#N)[C@@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 ZINC000043799611 KK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@@](=O)c2ccccc2)=N1 ZINC000043799617 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@@](=O)c2ccccc2)=N1 ZINC000043799620 KK Annotated Reactive C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1ccc(C)c(O)c1 ZINC000043799623 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cccc(O)c1 ZINC000043799654 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cccc(Cl)c1 ZINC000043799786 KK Annotated Anodyne CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCBr)C(CSc2ccccc2)=N1 ZINC000043799789 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCBr)C(CSc2ccccc2)=N1 ZINC000043799791 KK Annotated Reactive CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(CSc2ccccc2)=N1 ZINC000043799870 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(CSc2ccccc2)=N1 ZINC000043799873 KK Annotated Reactive C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1sccc1C ZINC000043815671 KK Annotated Anodyne CCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1)S(C)(=O)=O ZINC000043834112 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 ZINC000043834464 KK Annotated Mild CCCCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000043845671 KK Annotated Mild CCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O ZINC000043845692 KK Annotated Mild CCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)S(C)(=O)=O ZINC000043845761 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]3C=C(C(C)C)[C@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000043860519 KK Annotated Mild COc1ccc(CN2C[C@H](OC[C@@]3(C)C[C@@H]4[C@H](C)CC[C@H]4[C@]4(C=O)C[C@H]3C=C(C(C)C)[C@H]4C(=O)O)C[C@@H]2C)cc1 ZINC000043860521 KK Annotated Mild CCCCCCC/N=C1\C[C@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000043860540 KK Annotated Mild CCCCCCC/N=C1\C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2c1c(=O)c1cc(Cl)ccc1n2O ZINC000043860542 KK Annotated Mild CCCCCCCCCCCCCCCCNC[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043860592 KK Annotated Mild CCCCCCCCCCCCCCCCNC[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000043860594 KK Annotated Mild CCCCCCCCCCCCCCCCNC[C@H](O)COC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 ZINC000043860596 KK Annotated Mild CCCCCCCCCCCCCCCCNC[C@@H](O)COC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]12 ZINC000043860598 KK Annotated Mild O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@H]21 ZINC000043860602 KK Annotated Anodyne CCC(=O)Oc1cc(C[C@H](C)[C@H](C)Cc2cc(OC(=O)CC)c(OC(=O)CC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC(=O)CC ZINC000043860777 KK Annotated Reactive CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CNC(=O)NCc1ccncc1)NC(=O)C(C)(C)C ZINC000043860820 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@@H]2C[C@H](C)N(Cc4ccc5c(c4)OCO5)C2)[C@@]13C(=O)O ZINC000043860879 KK Annotated Mild CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CS[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000043871669 KK Annotated Mild C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)C=C[C@H]1C ZINC000043871700 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)C=C[C@H]1C ZINC000043871703 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)C=C[C@H]1C ZINC000043871706 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)C=C[C@H]1C ZINC000043871709 KK Annotated Anodyne CC(C)C1=C[C@@H]2C[C@@]3(C=O)[C@@H]4CC[C@@H](C)[C@H]4C[C@]2(CO[C@@H]2C[C@H](C)N(Cc4ccccc4)C2)[C@@]13C(=O)O ZINC000043871803 KK Annotated Mild CCC[P+](CCC)(CCC)Cc1ccc(-c2ccc(C[P+](CCC)(CCC)CCC)cc2)cc1 ZINC000043871872 KK Annotated Mild O=c1c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(O)c1O ZINC000043888181 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000043888214 KK Annotated Mild O=[N+]([O-])c1ccc(SCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 ZINC000043888623 KK Annotated Reactive C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[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]2[C@H]1OC(C)=O ZINC000043889163 KK Annotated Anodyne C/C=C(\C)C(=O)N[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C)=CC[C@H]32)[C@H]1OC(C)=O ZINC000043889166 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 ZINC000043910318 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 ZINC000043910322 KK Annotated Reactive C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@@]1(CS[C@@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)C1)[C@H]2O ZINC000043910836 KK Annotated Anodyne C=C(OCCCCCCCCCCCCC)[C@@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCCCC ZINC000043910884 KK Annotated Mild C=C(OCCCCCCCCCCCCC)[C@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCCCC ZINC000043910888 KK Annotated Mild CC(C)N(CCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCN(C(C)C)C(C)C)c2ccccc12)C(C)C ZINC000043919920 KK Annotated Mild CCCCCCCCNc1c(Br)cc2c3c(cccc13)C(=O)N(CCCCCCCC)C2=O ZINC000043919963 KK Annotated Mild COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000043920070 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000043920072 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000043920074 KK Annotated Anodyne COc1cc(O)c2c(OC)c3c(cc2c1-c1c(O)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000043920076 KK Annotated Anodyne CCCCCCCCCCCCCC=C1CCC(OCCO[P@@](=O)(O)OCC[N+]2(C)CCCCC2)CC1 ZINC000043920078 KK Annotated Mild CCCCCCCc1ccc(C/C=C\[C@@H](SCc2cccc(/C=C/C(=O)O)c2)[C@@H](O)CCCC(=O)O)cc1 ZINC000043920159 KK Annotated Mild COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000043920301 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000043920303 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@@H](C)C3=O ZINC000043920305 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c(OC)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000043920307 KK Annotated Anodyne CCCCCCCCCCN=c1ccn(CCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1 ZINC000043938636 KK Annotated Mild CCCCCCCCCCCCCCCCS(=O)(=O)Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O ZINC000043938676 KK Annotated Mild CCCCCCCCCCN=c1ccn(CCCCCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1 ZINC000043938679 KK Annotated Mild CCCCCCCCCCN=c1ccn(CCCCCCCCCCn2ccc(=NCCCCCCCCCC)cc2)cc1 ZINC000043938720 KK Annotated Mild CN(C)CCCOC(=O)C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 ZINC000043939038 KK Annotated Reactive CN(C)CCCOC(=O)C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 ZINC000043939040 KK Annotated Reactive CCCCCCCCCCCCCCCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043946911 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCO[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043946917 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCO[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043946923 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCO[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043946928 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043947172 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043947177 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043947181 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000043947186 KK Annotated Mild CCCCCCCCCCCCCCC1CCC(OCCO[P@@](=O)(O)OCC[N+](C)(C)C)CC1 ZINC000043947509 KK Annotated Mild CCCCCCCCCCCCCCCc1cccc(OCC)c1CSc1nc2ccccc2s1 ZINC000043947518 KK Annotated Mild N=C(N/N=C/c1c2ccccc2c(/C=N/NC(=N)N[C@@H]2CCc3ccccc32)c2ccccc12)N[C@H]1CCc2ccccc21 ZINC000043967918 KK Annotated Mild Cc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000043967991 KK Annotated Anodyne CC(C)/N=C(/N/N=C/c1c2ccccc2c(/C=N/N=C(NC(C)C)NC(C)C)c2ccccc12)NC(C)C ZINC000043968066 KK Annotated Mild CCCCCCCCCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000043990470 KK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000043990712 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000043990717 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000043990722 KK Annotated Anodyne O=C(N[C@@H]1CCCc2cccnc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000044004969 KK Annotated Mild O=C(N[C@H]1CCCc2cccnc21)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000044004973 KK Annotated Mild CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@H](CC)[C@]13CC ZINC000044005057 KK Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@](C)(CC[C@@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000044005197 KK Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@](C)(CC[C@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000044005200 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@](C)(CC[C@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000044005203 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)C(=O)[C@@H]1CS[C@H](c2cc(OC)c(OC)c(OC)c2)N1 ZINC000044005522 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C(=O)[C@@H]1CS[C@@H](c2cc(OC)c(OC)c(OC)c2)N1 ZINC000044005527 KK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000044018132 KK Annotated Mild CCCCCCCCCCCCCCCCCCO[C@]1(c2ccc(Cl)cc2)SC=C(C)n2c1noc2=O ZINC000044018135 KK Annotated Mild C[C@@]12CC[C@@H]3[C@]4(C)CCC(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@](C)(CC[C@@H]2[C@]4(C)CCC(=O)[C@@]4(C)CC[C@@]21C)C3 ZINC000044018231 KK Annotated Anodyne C[C@@]12CC[C@@H]3[C@]4(C)CCC(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@](C)(CC[C@H]2[C@]4(C)CCC(=O)[C@@]4(C)CC[C@@]21C)C3 ZINC000044018233 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC(=O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)C[C@@]1(C)[C@@](C)(CC[C@H]2[C@]4(C)CCC(=O)[C@@]4(C)CC[C@@]21C)C3 ZINC000044018234 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000044018399 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000044018401 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(C)=O)O[C@H](OC(C)=O)[C@]32[C@@H](OC(=O)c2ccccc2)C[C@H]1C ZINC000044018403 KK Annotated Anodyne C=C1CCCC(C)(C)[C@@H]1C[C@@H](OC(=O)c1ccccc1)/C(C)=C/CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000044018492 KK Annotated Mild COc1c(OC)c2c(c(CCN(C)C)c1SC)Sc1c(CCN(C)C)c(SC)c(OC)c(OC)c1S2 ZINC000044018545 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000044018595 KK Annotated Mild C=C(C)[C@H]1CC[C@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000044018597 KK Annotated Mild C=C(C)[C@@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000044018599 KK Annotated Mild C=C(C)[C@H]1CC[C@@H](C)[C@@]23CC=C(C)[C@]2(C1)Oc1c(cc2c(c1C)C=C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]12C)O3 ZINC000044018601 KK Annotated Mild CCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)CC/C=C\Cn1ccc(=O)[nH]c1=O ZINC000044031607 KK Annotated Mild Cc1cc2c(cc1C)COc1ccccc1C(=O)Nc1ccccc1SCc1ccccc1NC(=O)c1ccccc1OC2 ZINC000044031632 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(OCC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000044031853 KK Annotated Reactive OCc1cc(O)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000044031899 KK Annotated Reactive N#CC(CCSC(=S)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1)(c1ccccc1)c1ccccc1 ZINC000044031908 KK Annotated Mild COC(=O)c1c(-c2cc(OC)c(O)cc2O)c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000044031962 KK Annotated Anodyne N#CC(CCSC(=S)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000044031972 KK Annotated Mild N#CC(CCSC(=S)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1 ZINC000044031974 KK Annotated Mild COC(=O)c1c(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000044031986 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1CC(C)=CC(=O)O1 ZINC000044032061 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)COc2cc(O)ccc2[C@H]1CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F ZINC000044032160 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)COc2cc(O)ccc2[C@H]1CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F ZINC000044032162 KK Annotated Anodyne CCC(=O)OCc1cc(-n2nc(C(F)F)cc2-c2ccc(Br)cc2)ccc1S(=O)(=O)/N=C(\O)CC ZINC000044032184 KK Annotated Mild COC(=O)c1c(-c2ccc(OC(F)(F)F)cc2)c(-c2ccc(OC(F)(F)F)cc2)c2c3cc(OC)c(O)cc3ccn12 ZINC000044032203 KK Annotated Anodyne COC(=O)c1c(-c2ccc(O)c(OC)c2)c(-c2ccc(O)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000044032205 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)COc2cc(O)ccc2[C@H]1CCCCCCCCCNC(=O)NCCCC(F)(F)C(F)(F)F ZINC000044032262 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000044052495 KK Annotated Reactive CN(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052552 KK Annotated Anodyne CN(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F ZINC000044052555 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044052562 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044052565 KK Annotated Anodyne COc1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2[nH]5)n4)n3)cc1 ZINC000044052609 KK Annotated Bother CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(OC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000044052707 KK Annotated Reactive O=C1CCc2cc(Br)c(cc2Br)Oc2cc(cc(Br)c2O)CCN1 ZINC000044052761 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(CC)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000044052782 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(C)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000044052816 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(CC)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000044052994 KK Annotated Reactive C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044053009 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044053012 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044053021 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044053024 KK Annotated Anodyne Cc1ccc(N)cc1Nc1c2ccccc2nc2c(OCCCCN(CCCl)CCCl)cccc12 ZINC000044053084 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(C(=O)O)c1)C(=O)Nc1ccc(C)cc1-2 ZINC000044053131 KK Annotated Reactive C[C@]1(c2ccc(O)cc2)COc2cc(O)ccc2[C@H]1CCCCCCCCCNS(=O)(=O)NCCCC(F)(F)C(F)(F)F ZINC000044053162 KK Annotated Anodyne CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1-2 ZINC000044053174 KK Annotated Reactive O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccc(F)cc3F)CC2)nn1)OC1CCCC1 ZINC000044053191 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000044053278 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000044053281 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000044053317 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000044053321 KK Annotated Anodyne CCC1=C(C)C2=N/C1=C\c1[nH]c(c(CC)c1CC)/C=c1\[nH]/c(c(C)c1CC)=C\C1=N[C@@H](C=C1)/C(c1ccccc1)=c1/cc/c([nH]1)=C/2 ZINC000044053339 KK Annotated Anodyne COc1cc(CCN(C)C)c2sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c1O ZINC000044053357 KK Annotated Bother CC(C)(C)NCc1c(O)cc(-c2ccc(Cl)cc2)c(CNC(C)(C)C)c1Nc1cc[n+]([O-])c2cc(Cl)ccc12 ZINC000044053360 KK Annotated Clean O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccccc3Cl)CC2)nn1)OC1CCCC1 ZINC000044053449 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cccc(Cl)c3)CC2)nn1)OC1CCCC1 ZINC000044053452 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F ZINC000044069170 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F ZINC000044069174 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@@]12CCO[C@@H]1N(C[C@]1(C)C(=O)C(C)=C(CCCC)C1=O)c1ccccc12 ZINC000044069219 KK Annotated Mild C=CCCC(=O)O[C@@H]1[C@H](OC(C)=O)c2c(cc(OC)c3c(=O)c4c5ccccc5ccc4n(C)c23)OC1(C)C ZINC000044069229 KK Annotated Mild COC(=O)c1c(-c2cc(OC)c(O)cc2OC)c(-c2ccc(O)c(OC)c2)c2c3cc(OC)c(O)cc3ccn12 ZINC000044069294 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@]1(OCCN(CCC#N)c1ccccc1)c1ccccc1 ZINC000044069346 KK Annotated Mild COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@]1(OCCN(CCC#N)c1ccccc1)c1ccccc1 ZINC000044069350 KK Annotated Mild COC(=O)[C@@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@@]1(OCCN(CCC#N)c1ccccc1)c1ccccc1 ZINC000044069354 KK Annotated Mild COC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)c2ccccc2[C@@]1(OCCN(CCC#N)c1ccccc1)c1ccccc1 ZINC000044069358 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC(c3ccccc3)CC2)nn1)OC1CCCC1 ZINC000044069410 KK Annotated Anodyne CCOC(=O)N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cc(Cl)ccc3C)CC2)nn1 ZINC000044069566 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044069568 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044069571 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3CC)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044069574 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)n3ccnc3CC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044069577 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccncc3)CC2)nn1)OC1CCCC1 ZINC000044069595 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCC3)nn2)CC1 ZINC000044069624 KK Annotated Anodyne C=C/C=C\[C@H](C)C[C@@H](C)[C@H](O)CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C/C=C\C(=O)OC ZINC000044069663 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3ccc(F)cc3)CC2)nn1)OC1CCCC1 ZINC000044069669 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CCOC3)nn2)CC1 ZINC000044069682 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)CC/C=C\Cn1ccc(N)nc1=O ZINC000044069703 KK Annotated Mild CO/N=C(\Cl)CCC/C=C(\c1cc(C)c(OC)c(/C(Cl)=N/OC)c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000044069973 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)[C@@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000044086548 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(\C)[C@H](/C=C/C(C)(C)O)OC)[C@@]3(C)CC[C@H]21 ZINC000044086551 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/[C@H](O)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000044086720 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/[C@@H](O)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000044086723 KK Annotated Mild COc1cc2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000044086846 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCc1sc2nc(SCC#N)n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000044087018 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)N(CCO)C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000044093532 KK Annotated Mild C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000044093543 KK Annotated Reactive C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 ZINC000044093547 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)NCCCNC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000044093589 KK Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](OC)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000044093594 KK Annotated Anodyne CCCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000044093765 KK Annotated Mild CCCCCCCCN(C(=O)Nc1ccc(OC(F)(F)F)cc1)[C@H]1Cc2ccc(SC(C)(C)C(=O)O)cc2C1 ZINC000044093767 KK Annotated Mild O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@H]1CC4)[C@H]23 ZINC000044093984 KK Annotated Anodyne in-vivo O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@H]1CC4)[C@H]23 ZINC000044093989 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)[C@]2(CC[C@H](OC(C)C)O2)C1=O ZINC000044117305 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)[C@]2(CC[C@@H](OC(C)C)O2)C1=O ZINC000044117311 KK Annotated Mild CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000044117686 KK Annotated Anodyne N[C@@H](CO)[C@H](O)/C=C/CCCOC(=O)CCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000044118055 KK Annotated Bother CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 ZINC000044118571 KK Annotated Mild CCCCCCCCCCCCCCc1cccc(OC[C@H](CO[P@@](=O)(O)Oc2cccc(C[n+]3ccsc3)c2)OC)c1 ZINC000044118709 KK Annotated Mild CC(C)/C(=N\OCc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F ZINC000044138222 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(=O)c2ccc(Br)cc2)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000044138239 KK Annotated Mild CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)OC(=O)CNC=O ZINC000044138302 KK Annotated Mild CC(=O)O[C@H]1[C@@H](O)[C@H](O)C(C)(C)[C@@H]2CC[C@@H]3[C@]4(CC[C@]5(C)[C@@H]([C@H](C)CCC=C(C)C)CC[C@@]35C)C[C@@]214 ZINC000044138401 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)CC3CCCC3)nn2)CC1 ZINC000044146170 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)NC(C)C)nn2)CC1 ZINC000044157106 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CC=C(c3ccc(Cl)cc3)CC2)nn1)OC1CCCC1 ZINC000044157165 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)c3ccco3)nn2)CC1 ZINC000044181385 KK Annotated Anodyne CCc1c(C)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)[C@]1(C)C5=CCC(C#N)(C#N)C1(C#N)C#N)c(C)c4CC)c(C)c3CC ZINC000044181607 KK Annotated Clean CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000044181670 KK Annotated Anodyne CCCCOC(=O)N[C@@H](c1ccncc1)[C@@H](O)C(=O)O[C@H]1C[C@@H]2C(C)(C)[C@@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000044181673 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1cccc(F)c1 ZINC000044181768 KK Annotated Anodyne CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)OC[C@@H](COC(C)=O)OC(C)=O)cc1 ZINC000044182143 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)c1ccc(C(=O)OC[C@H](COC(C)=O)OC(C)=O)cc1 ZINC000044182146 KK Annotated Mild c1ccc2c(c1)CN(CCCCCCNCCSSCCNCCCCCCN1CNc3ccccc3C1)CN2 ZINC000044182296 KK Annotated Reactive CCCCCCCCCCOCCCCCCO[C@@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000044201849 KK Annotated Mild CCCCCCCCCCOCCCCCCO[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000044201851 KK Annotated Mild CCCCCCCCCCOCCCCCCO[C@@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000044201853 KK Annotated Mild CCCCCCCCCCOCCCCCCO[C@H]1C[C@@H](COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)CO1 ZINC000044201856 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@H]1Cc2ccc(O)c(O)c2O[C@H]1c1ccc(O)c(O)c1 ZINC000044201862 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@@H](CC[P@@](=O)(O)OCC[N+](C)(C)C)n1ccnc1 ZINC000044201886 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC[C@H](CC[P@@](=O)(O)OCC[N+](C)(C)C)n1ccnc1 ZINC000044201888 KK Annotated Mild O=C(OCc1ccccc1)c1c(OCc2ccccc2)c(Cc2ccc(Cl)cc2)nc2c3c(ccc12)CCCC3 ZINC000044201962 KK Annotated Anodyne CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F ZINC000044202139 KK Annotated Reactive CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F ZINC000044202141 KK Annotated Reactive CCCCCCCCc1cc2cn(C/C=C3\OC(=O)C(OCc4ccccc4)=C3OCc3ccccc3)c(=O)nc2o1 ZINC000044220952 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C/C=C\C(=O)O1 ZINC000044221319 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@@]2(C)CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 ZINC000044221322 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OO[C@@]2(C)CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 ZINC000044221328 KK Annotated Reactive CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccccc1)C(=O)Nc1ccc(C)cc1-2 ZINC000044221352 KK Annotated Reactive CN(CCCCCCNCc1ccccc1N)CCSSCCN(C)CCCCCCNCc1ccccc1N ZINC000044221692 KK Annotated Reactive COc1cc2c(c3c1c(=O)c1c4ccccc4ccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)C(C)(C)O2 ZINC000044221774 KK Annotated Bother COc1cccc(CN2C[C@H](OC)[C@@H](C)O[C@@H](OC[C@]34C[C@@H]5[C@H](C)CC[C@H]5[C@]5(C=O)C[C@H]3C=C(C(C)C)[C@]45C(=O)O)C2)c1 ZINC000044246905 KK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(Sc2ccc(C)cc2)=C(Sc2ccc(C)cc2)C1=O ZINC000044246999 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@H](C)[C@@H]2OC(=O)c1ccccc1 ZINC000044247285 KK Annotated Anodyne COc1cc2c([nH]c3c4c(c(C)cc32)OC(C)(C)C=C4)c(-c2c(O)c(OC)cc3c2[nH]c2c4c(c(C)cc23)OC(C)(C)C=C4)c1O ZINC000044247305 KK Annotated Anodyne O=C(O)c1cccc(C(CC(=O)c2ccc(F)cc2C(F)(F)F)CC(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000044247317 KK Annotated Mild CCCCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(C)=O)=CC3=O)n1 ZINC000044247378 KK Annotated Mild CO[C@H]1CN(Cc2ccc(Cl)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000044264768 KK Annotated Mild CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)C2=C(COC2=O)[C@H]1[C@@H]1C2=C(C(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(C)=O ZINC000044265126 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044265538 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCCC[C@H](CCCC(F)(F)C(F)(F)F)C(=O)O ZINC000044265542 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCCNS(=O)(=O)CCCC(F)(F)C(F)(F)F ZINC000044265596 KK Annotated Anodyne COC(=O)[C@@H]1[C@@H](OS(=O)(=O)O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C[C@@H](O)C=C(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]13 ZINC000044280208 KK Annotated Anodyne O=C1[C@@H]2CCCCCCN2[C@H]2[C@@]3(O)C=C(c4nccc5c4[nH]c4ccc(O)cc45)[C@@H]4CCN(CCCC/C=C\CC3)C[C@@]142 ZINC000044280275 KK Annotated Anodyne CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3cccc(C(F)(F)F)c3)s1)n2CCC(N)=O ZINC000044280306 KK Annotated Anodyne C/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4cc5c(cc34)C3=CC(C)(C)OC(C)(C)[C@H]3C5)[C@@]12C)C(=O)O ZINC000044280314 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](OC(C)=O)[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3(O)[C@H](OC(C)=O)C[C@@]21C)C(C)C ZINC000044280432 KK Annotated Mild CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000044280452 KK Annotated Anodyne CCCCCCCCCCCC(=O)N1C(=O)O[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H]1CCC ZINC000044280490 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCCCC[C@H](O)C#C ZINC000044280493 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CCCCC#CC(=O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044280509 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CCCCC#CC(=O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044280512 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000044280555 KK Annotated Mild CCCCCCCCCCCCCCCCO[C@H]1N([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)N=C(O)[C@]1(C)Cl ZINC000044280563 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5-c5ccc(F)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044280570 KK Annotated Mild Cc1cccc2c(Nc3cc(CO)cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12 ZINC000044280608 KK Annotated Reactive CC(C)=CCC/C(C)=C/Cc1c2c(c(O)c3c(=O)c4c(oc13)-c1c(O)cc(O)c3c1[C@@H](C4)C(C)(C)O3)C=CC(C)(C)O2 ZINC000044280724 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c2c(c(O)c3c(=O)c4c(oc13)-c1c(O)cc(O)c3c1[C@H](C4)C(C)(C)O3)C=CC(C)(C)O2 ZINC000044280727 KK Annotated Anodyne in-vitro biogenic COc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc(O)c4c(=O)cc(C)oc4c3c1OC)c(O)c1c(=O)cc(C)oc12 ZINC000044280734 KK Annotated Bother in-vitro CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccncn1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000044280782 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccncn1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000044280785 KK Annotated Mild CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)/C=C/N(c1ccccc1)c1ccc2ccccc2c1 ZINC000044280791 KK Annotated Mild CC[C@H](C)[C@H]1[C@](C)(O)C(=O)[C@@]2(O)C[C@](C)(O)C[C@@H](C)[C@@H]2[C@]1(C)C(=O)/C=C/N(c1ccccc1)c1ccc2ccccc2c1 ZINC000044280794 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5-c5ccc(C)c(C)c5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044280803 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O ZINC000044280809 KK Annotated Mild C=C(COC(=O)c1ccc(O)cc1)[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 ZINC000044280823 KK Annotated Mild CC(=O)N[C@H]1CC[C@H]2[C@@H]3NC(=O)C=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044280830 KK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(CO[C@@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044280943 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(CO[C@@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044280946 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(CO[C@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044280949 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(CO[C@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044280952 KK Annotated Mild C[n+]1ccc2c([nH]c3ccccc32)c1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000044281047 KK Annotated Clean CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc21 ZINC000044281091 KK Annotated Bother CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc21 ZINC000044281094 KK Annotated Bother Clc1ccc2[nH]c3c[n+](CCCCCCCCCCCC[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000044281100 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN=C3Cc1ccc(cc1)COc1c(OC)cc3c(c1O)[C@H](C2)N(C)CC3 ZINC000044281145 KK Annotated Clean O=C1c2cccc3cccc(c23)[C@]12N[C@@H](c1ccccc1)[C@H](c1ccc(Cl)cc1)[C@]21CCC/C(=C\c2ccc(Cl)cc2)C1=O ZINC000044281168 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/[C@H](OC)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000044281192 KK Annotated Mild COC(=O)[C@@]1(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]3CC(=O)/C(=C(C)/C=C/C=C(C)/C=C/[C@@H](OC)C(C)(C)O)[C@@]3(C)CC[C@H]21 ZINC000044281193 KK Annotated Mild CN1CCc2cc3c4cc2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2c(cc(O)c(c2O4)O3)CCN1C ZINC000044281214 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000044281217 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1cccc(Br)c1)C(C)(C)O2 ZINC000044281380 KK Annotated Bother CC[C@H]1CCCN(CCc2c3n(c4ccccc24)[C@@H](c2[nH]c4ccccc4c2CCN2CCC[C@@H](CC)C2)CCC3)C1 ZINC000044281403 KK Annotated Anodyne CC[C@H]1CCCN(CCc2c([C@H]3CCCc4c(CCN5CCC[C@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000044281406 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCOc1cccc([C@H](C)N3CCOCC3)c1)C2 ZINC000044281448 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCOc1cccc([C@@H](C)N3CCOCC3)c1)C2 ZINC000044281452 KK Annotated Anodyne COc1ccc2c(c1OC)[C@@H](CC1=C[C@H]3[C@H](C(C)C)CC[C@@](C)(OC)[C@@H]3CC1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000044281472 KK Annotated Anodyne CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000044281486 KK Annotated Anodyne Cc1ccc(/C=C2\CCC[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000044281492 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5C)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044281514 KK Annotated Mild CCCCCCCCCCCCC(=O)Oc1c(-c2c(C)cc(OC)c3c(OC)cccc23)ccc2c1[C@@H](C)N(C=O)[C@H](C)C2 ZINC000044281536 KK Annotated Mild C=CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC=C)cc3)c(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)c2)cc1 ZINC000044281541 KK Annotated Mild COc1ccc2c(c1)CN([C@@H]1CC(c3ccc(-c4ccco4)cc3)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000044281569 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccc(-c4ccco4)cc3)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000044281572 KK Annotated Anodyne CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(OC)c2)cn1 ZINC000044281581 KK Annotated Anodyne Oc1ccc(/C=C/[C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@@H]3C[C@H](CCc4ccc(O)cc4)O[C@H](c4ccc(O)cc4)[C@@H]23)cc1 ZINC000044281597 KK Annotated Anodyne in-vitro biogenic CC(C)=C[C@@H]1C[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@](C)(CCC(=O)O)[C@@H](C(C)(C)O)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]32C)CO1 ZINC000044281606 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c1cc(CCc2cccc3ccccc23)nc(NCc2ccccc2)n1 ZINC000044281660 KK Annotated Anodyne CCCC[C@@H]1C(=O)N(CC2CCN(CC(F)F)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044281663 KK Annotated Anodyne CCCC[C@H]1C(=O)N(CC2CCN(CC(F)F)CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044281666 KK Annotated Anodyne COc1ccc(/C=C/c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ccccc5)ccc4n3CCC(N)=O)s2)cc1 ZINC000044281696 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)c3c(cc(OC)c4c(=O)c5cc6ccccc6cc5n(C)c34)OC2(C)C)cc1 ZINC000044281702 KK Annotated Bother CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5C)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044281705 KK Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2)CCC[C@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000044281711 KK Annotated Mild C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000044281790 KK Annotated Anodyne in-man c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@H]3c4cccn4C[C@@H]23)cc1 ZINC000044281793 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@H]3c4cccn4C[C@H]23)cc1 ZINC000044281796 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@@H](c4ccccc4)[C@H]4Cn6cccc6[C@H]4N5)ccc3N[C@H]3c4cccn4C[C@@H]23)cc1 ZINC000044281800 KK Annotated Anodyne c1ccc([C@H]2c3cc(Cc4ccc5c(c4)[C@H](c4ccccc4)[C@@H]4Cn6cccc6[C@@H]4N5)ccc3N[C@@H]3c4cccn4C[C@@H]32)cc1 ZINC000044281803 KK Annotated Anodyne Cc1ccc(/C(N)=N/c2ccc(-c3ccc(-c4ccc(/N=C(\N)c5ccc(C)cn5)cc4OC(C)C)o3)c(OC(C)C)c2)nc1 ZINC000044281809 KK Annotated Mild CCCCCCCCCCNC(=O)c1cccc(Sc2ccc(NC(=O)NC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000044281834 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5cccc(C)c5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044281854 KK Annotated Mild Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 ZINC000044304952 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5CCCC)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044304955 KK Annotated Mild COc1cc2c3c(c(-c4c5c6c(cc7c(c6c6ccccc46)OCO7)CCN5)c4ccccc4c3c1OC)NCC2 ZINC000044304977 KK Annotated Bother CC(=O)O[C@@H]1C[C@H]([C@H](C)[C@H]2CC=C(C)C(=O)O2)[C@@]2(C)CCC3=C(CC[C@@H]4C(=C3)C=CC(=O)OC4(C)C)[C@]12C ZINC000044304987 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCC/C=C\[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000044305002 KK Annotated Mild O[C@]12C=C(C3=NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CC/C=C\CCCC1)C[C@@]31CC/C=C\CCCCN[C@@H]21 ZINC000044305013 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1cccc(Cl)c1)C(C)(C)O2 ZINC000044305059 KK Annotated Bother CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@H]1[C@H](C)C(=O)CCC1(C)C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C ZINC000044305076 KK Annotated Anodyne Cc1cccc2c(Nc3cc(CO)cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12 ZINC000044305088 KK Annotated Reactive C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](OC(=O)/C=C/c3ccc(OC(=O)CCCCCCCCCCCCCCCCC)cc3)[C@@H]12 ZINC000044305107 KK Annotated Mild Cc1ccc(/C=C2\CCC[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@H](c2ccccc2)N[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000044305139 KK Annotated Mild C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000044305145 KK Annotated Reactive C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000044305149 KK Annotated Reactive C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000044305154 KK Annotated Reactive O=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)N1CCN(c2ncnc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000044305157 KK Annotated Anodyne COc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c[nH]c3ccccc23)cc1 ZINC000044305172 KK 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@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000044305182 KK Annotated Mild CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)[C@]4(C)CCCN4CC(C)C)ncn3)cccc2s1 ZINC000044305185 KK Annotated Anodyne COc1cc(O)c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)C2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000044305204 KK Annotated Mild in-vitro biogenic COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](O)c3c(cc(OC)c4c(=O)c5cc6ccccc6cc5n(C)c34)OC2(C)C)cc1OC ZINC000044305210 KK Annotated Bother COc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 ZINC000044305246 KK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)CN)C(C)(C)[C@@H]1CC3)C(C)C ZINC000044305265 KK Annotated Mild CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2C(O)=NC(=O)[C@@H]12 ZINC000044305301 KK Annotated Reactive CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2C(O)=NC(=O)[C@@H]12 ZINC000044305304 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000044305328 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000044305331 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000044305335 KK Annotated Reactive CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000044305352 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)CN(C)[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000044305374 KK Annotated Mild COC(=O)CC[C@@]1(C)[C@@H](C(C)(C)O)C[C@@H](OC(=O)[C@H](O)C(C)C)[C@@]2(C)C3=CC[C@@H]([C@H]4CO[C@H](C=C(C)C)C4)[C@]3(C)CC[C@H]12 ZINC000044305483 KK Annotated Anodyne in-vitro biogenic CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](C)C1=C(O)C(=O)c2c(ccc3c2CCCC3(C)C)C1=O ZINC000044305525 KK Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1cc3c(cc1OC)CCN[C@@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000044305562 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccc(-c4ccco4)cc3)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000044305578 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccc(-c4ccco4)cc3)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000044305580 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1cccc2ccccc12)c1cc(CCc2ccccc2)nc(NCc2cccc3ccccc23)n1 ZINC000044305650 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000044305702 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000044305705 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1Cl)C(C)(C)O2 ZINC000044305753 KK Annotated Bother C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044305756 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044305759 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044305762 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044305765 KK Annotated Mild Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@@H](CCc2ccccc2)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000044305808 KK Annotated Anodyne Cc1c(O)c(C(=O)CCc2ccccc2)c(O)c([C@H](CCc2ccccc2)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000044305811 KK Annotated Anodyne Cc1ccc([C@@H](CC(N)=O)NC(=O)CCCOc2c(CCCO)c(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000044305855 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)CCCOc2c(CCCO)c(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000044305858 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5ccc(OC)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044305864 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)CCC)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044305962 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)CCC)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044305965 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5C)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044305975 KK Annotated Mild COC(=O)CC[C@]1(COC(C)=O)C2=CC[C@]3(C)[C@@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)CC[C@@]3(C)C2=CC[C@H]1C(C)(C)O ZINC000044306008 KK Annotated Anodyne CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)c(C(=O)Oc2cc(O)c(C(=O)O)c(CCC)c2)c(CCC)c1 ZINC000044306113 KK Annotated Anodyne in-vitro COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(C)(C)O2 ZINC000044306123 KK Annotated Bother CC1(C)[C@@H](OC(=O)c2ccccc2C(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000044306150 KK Annotated Anodyne COc1cc(OC)c2c(c1)c(-c1c(OC)cc3cc4oc(C)cc(=O)c4c(O)c3c1OC)c(O)c1c(=O)cc(C)oc12 ZINC000044306194 KK Annotated Bother in-vitro CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(/C=C/c3ccccc3C(F)(F)F)s1)n2CCC(N)=O ZINC000044306200 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccccc1)c1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1 ZINC000044306249 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000044306318 KK Annotated Anodyne C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@@H]1C(=C)C=O ZINC000044306374 KK Annotated Reactive CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4[C@@H](O)C[C@]23C)O1 ZINC000044306377 KK Annotated Anodyne CO[C@H](/C=C/C(C)(C)O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O ZINC000044306403 KK Annotated Mild in-vitro CO[C@@H](/C=C/C(C)(C)O)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O ZINC000044306406 KK Annotated Mild in-vitro C=C(C)[C@@H]1CC[C@]2(CO[C@@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044306445 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(CO[C@H]3CCCCO3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044306448 KK Annotated Mild CCOC(=O)/N=C(/Nc1ccc(-c2ccc(-c3ccc(N/C(=N/C(=O)OCC)NC(C)C)cn3)cc2)nc1)NC(C)C ZINC000044306533 KK Annotated Mild C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](OC(=O)/C=C/c3ccc(OC(=O)CCCCCCC/C=C\CCCCCC)cc3)[C@@H]12 ZINC000044306538 KK Annotated Mild CC(=O)O[C@H]1C=C2[C@@H]3CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]3(C)CC[C@]2(O)[C@@]2(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]12 ZINC000044306632 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)[C@@H]4CCCN4CC(C)C)ncn3)cccc2s1 ZINC000044306653 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)cc4)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000044306662 KK Annotated Mild C/C(=C\[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]24C)C(=O)O1)CO ZINC000044306666 KK Annotated Anodyne CC(C)=CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000044306719 KK Annotated Anodyne Oc1ccc2[nH]c3c(c2c1)CCN=C3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@H]4CC=CCCCN4[C@@H]21)C3 ZINC000044306845 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1nccs1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000044306850 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1nccs1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000044306854 KK Annotated Mild O=Cc1ccc(O)c([C@H]2c3cc(O)cc4c3[C@H](c3cc(O)cc(O)c3[C@@H]2c2ccc(O)cc2)[C@@H](c2ccc(O)cc2)O4)c1 ZINC000044306872 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000044306896 KK Annotated Mild COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3C(F)(F)F)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000044306911 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3C(F)(F)F)=NN1c1nc(-c3ccccc3C(F)(F)F)oc1C)CC2 ZINC000044306915 KK Annotated Anodyne C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@H]21 ZINC000044306979 KK Annotated Anodyne COc1cc(OC)cc(-c2c3c(n4c2-c2cc(OC)c(OC)c(O)c2CC4)COc2cc(OC(C)=O)c(OC)cc2-3)c1 ZINC000044306997 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccccc2C(F)(F)F)C[C@H]1N1CCc2ccccc2C1 ZINC000044307086 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccccc2C(F)(F)F)C[C@@H]1N1CCc2ccccc2C1 ZINC000044307090 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc(O)c5c(=O)cc(C)oc5c4c3OC)c2c1 ZINC000044307365 KK Annotated Bother C=CCCCC[C@@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000044307373 KK Annotated Reactive C=CCCCC[C@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000044307378 KK Annotated Reactive C=CCCCC[C@@H](C)CCCCCC#CCC[C@@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000044307382 KK Annotated Reactive C=CCCCC[C@H](C)CCCCCC#CCC[C@@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000044307386 KK Annotated Reactive COc1cc2c(cc1OCCCSc1nnc3n1S(=O)(=O)c1ccccc1N3c1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000044307445 KK Annotated Anodyne C#C[C@H](O)/C=C\CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCC/C=C/[C@@H](O)C#C ZINC000044307461 KK Annotated Mild COC(=O)/C(C)=C/[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c([nH]c6cc7c(cc56)C5=CC(C)(C)OC(C)(C)[C@H]5C7)[C@]4(C)[C@@]3(C)CC[C@]2(O)O1 ZINC000044307465 KK Annotated Anodyne CC1=CC(=O)CC(C)(C)[C@@]1(O)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 ZINC000044307471 KK Annotated Mild COc1ccc2c(c1OC)[C@H](CC1=C[C@H]3[C@H](C(C)C)CC[C@](C)(OC)[C@H]3CC1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000044307493 KK Annotated Anodyne C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044307504 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044307507 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044307510 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044307513 KK Annotated Mild CCCCCCCCCCC(CCCCCCCCCC)OC(=O)C[C@H]1C[C@H](O)C[C@@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000044307638 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000044307700 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[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 ZINC000044307716 KK Annotated Mild CC(C)C[C@@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000044307725 KK Annotated Anodyne C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@H]1C(=C)C=O ZINC000044307819 KK Annotated Reactive CC(C)=CCC/C(C)=C/C[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C2O)C1(C)C ZINC000044307827 KK Annotated Mild COc1cc2c(cc1OC/C=C\COCCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000044307844 KK Annotated Mild CN(CCc1nccc2c1[nH]c1cc(Br)ccc12)CCc1nccc2c1[nH]c1cc(Br)ccc12 ZINC000044307849 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@@H]3C)[C@]21C ZINC000044307880 KK Annotated Anodyne CC[C@@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@@H]3C)[C@]21C ZINC000044307883 KK Annotated Anodyne C[N+](C)=c1ccc2c(-c3ccc(C(=S)N4CCCCC4)s3)c3cc4c5c(c3sc-2c1)CCCN5CCC4 ZINC000044307900 KK Annotated Bother Cc1cccc(C(=O)N2c3cccc(O)c3NC3=C([C@@H]2c2ccc(OCc4ccccc4)cc2F)S(=O)(=O)CC(C)(C)C3)n1 ZINC000044307926 KK Annotated Anodyne Cc1cccc(C(=O)N2c3cccc(O)c3NC3=C([C@H]2c2ccc(OCc4ccccc4)cc2F)S(=O)(=O)CC(C)(C)C3)n1 ZINC000044307929 KK Annotated Anodyne Cc1ccc(-c2c(C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnnn3c3ccccc23)cc1 ZINC000044307993 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C/CCCC/C=C/CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000044307999 KK Annotated Mild CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044308008 KK Annotated Clean CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044308011 KK Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@]4(C)CC[C@@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000044308015 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C/CCCC/C=C/CC/C=C/C#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000044308052 KK Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc(NC(=O)c3ccc(NCCNC(=N)N)c(-c4ccccc4)c3)cc2)cc1 ZINC000044308062 KK Annotated Mild O/C(=N\c1ccc(F)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(/C(O)=N/c3ccc(F)cc3)cc2)cc1 ZINC000044308072 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000044308081 KK Annotated Anodyne O/C(=N\c1ccc(Cl)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(/C(O)=N/c3ccc(Cl)cc3)cc2)cc1 ZINC000044308122 KK Annotated Mild C/C(=C\[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c([nH]c6cc7c(cc56)C5=CC(C)(C)OC(C)(C)[C@H]5C7)[C@]4(C)[C@@]3(C)CC[C@]2(O)O1)C(=O)O ZINC000044308142 KK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000044308148 KK Annotated Anodyne Cc1ccc(/N=C(\O)c2cc[n+](CCCCCCCCCC[n+]3ccc(/C(O)=N/c4ccc(C)cc4)cc3)cc2)cc1 ZINC000044308180 KK Annotated Mild CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)C[C@@H](O)[C@@]34C)[C@@H]2C1 ZINC000044308235 KK Annotated Anodyne in-vitro O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2sc4c(n12)ON[C@@H]4c1ccccc1)/C(=C\c1ccc(Cl)cc1)CCC3 ZINC000044308238 KK Annotated Anodyne O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2sc4c(n12)ON[C@H]4c1ccccc1)/C(=C\c1ccc(Cl)cc1)CCC3 ZINC000044308241 KK Annotated Anodyne O=C(OC1CCCCC1)c1ccc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000044308272 KK Annotated Anodyne N#Cc1ccc(-c2cc(C(=O)Nc3ccc(N(Cc4ccccc4)Cc4ccccc4)cc3)ccc2NCCNC(=N)N)cc1 ZINC000044308290 KK Annotated Mild Cc1ccc(-c2c(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3nnnn3c3ccccc23)cc1 ZINC000044308306 KK Annotated Anodyne CO[C@H]1CN(CC2=CCCCC2)C[C@H](OC[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)O[C@@H]1C ZINC000044323523 KK Annotated Mild CCCCCCCCCCCCN1Cc2c(n(CC(=O)c3ccccc3)c3cc(-c4ccccc4)nn3c2=O)C1=O ZINC000044324063 KK Annotated Mild CCCCCCCCCCCCOC(CN1CC[N+]2(CCCC2)CC1)CN1CC[N+]2(CCCC2)CC1 ZINC000044324174 KK Annotated Mild CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 ZINC000044350649 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(C)(C)O2 ZINC000044350667 KK Annotated Bother C=C(C)[C@H](OC(C)=O)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(C)=O)C[C@]13O2)OC(C)=O ZINC000044350676 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(C)(C)O2 ZINC000044350688 KK Annotated Bother CC(C)CC(=O)c1c(O)c(Cc2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c(O)c(C(=O)CC(C)C)c1O ZINC000044350700 KK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000044350709 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN=C5C2)CCN1C ZINC000044350745 KK Annotated Anodyne COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000044350758 KK Annotated Anodyne O=C(NCCCN1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2c1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 ZINC000044350775 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccccn1)[C@H]2c1ccc(OCc2ccccc2)cc1F ZINC000044350832 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(O)cccc1N(C(=O)c1ccccn1)[C@@H]2c1ccc(OCc2ccccc2)cc1F ZINC000044350835 KK Annotated Mild N=C(Nc1ccc(-c2cc(-c3ccccc3)c(-c3ccc(NC(=N)c4ccccn4)cc3)o2)cc1)c1ccccn1 ZINC000044350841 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C/COc2cc(c3ccccc3c2)-c2c(ccc3ccccc23)OCCCC(=O)N[C@H](CCCCN)C(=O)N1 ZINC000044350977 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5ccc(C)c(C)c5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044351046 KK Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc3[nH]c(-c4ccc(NC(=O)CNC(=N)N)cc4)cc3c2)cc1 ZINC000044351087 KK Annotated Mild C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 ZINC000044351091 KK Annotated Mild COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)C/C=C\C(C)(C)O)CC[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)ccc1O ZINC000044351107 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccc(-c3ccco3)cc2)C[C@H]1N1CCc2ccccc2C1 ZINC000044351109 KK Annotated Anodyne Cc1oc(-c2ccccc2C(F)(F)F)nc1N1N=C(c2ccc(-c3ccco3)cc2)C[C@@H]1N1CCc2ccccc2C1 ZINC000044351111 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(OC)cc2)N(c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000044351131 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(OC)cc2)N(c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000044351133 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(OC)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000044351135 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(OC)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000044351137 KK Annotated Anodyne CC1=C(Cc2cc(O)ccc2O)[C@]2(C)CCC[C@@](C)(CC[C@@]3(O)[C@H](C)CC[C@@H]4OC(C)(C)CCC[C@@]43C)[C@H]2CC1 ZINC000044351159 KK Annotated Anodyne O=C(OCCOC(=O)c1c2ccccc2nc2c1[nH]c1ccccc12)c1c2ccccc2nc2c1[nH]c1ccccc12 ZINC000044351177 KK Annotated Bother C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]23C(=C[C@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000044351207 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@H]3C)[C@]21C ZINC000044351216 KK Annotated Anodyne CC[C@@H](O)CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C3=C(C(=O)O[C@H]3C)[C@]21C ZINC000044351218 KK Annotated Anodyne CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)[C@H]4CCCN4CC(C)C)ncn3)cccc2s1 ZINC000044351231 KK Annotated Anodyne C/C(=C\[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23C=C[C@@H]2[C@@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]24C)C(=O)O1)CO ZINC000044351238 KK Annotated Anodyne COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)C[C@H]2C[C@@H](O)CCc1ccc(O)cc1 ZINC000044351247 KK Annotated Mild in-vitro biogenic C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@H](O)C#CCCCC/C=C\CCCCCCCC[C@H](O)C#C ZINC000044351253 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@@H](O)C#CCCCC/C=C\CCCCCCCC[C@H](O)C#C ZINC000044351256 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@H](O)C#CCCCC/C=C\CCCCCCCC[C@@H](O)C#C ZINC000044351258 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C\C#C[C@@H](O)C#CCCCC/C=C\CCCCCCCC[C@@H](O)C#C ZINC000044351260 KK Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@H](OC(=O)CCCCCCCCCCCCCCC)C1 ZINC000044351270 KK Annotated Mild C=C(C)[C@H]1Cc2oc(cc2C(=O)OC)[C@H](C(=C)C)[C@H]2C=C(C(=O)O2)[C@@H](OC(=O)CCCCCCCCCCCCCCC)C1 ZINC000044351272 KK Annotated Mild COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1 ZINC000044351309 KK Annotated Bother in-man CCCC[C@@H]1C(=O)N(Cc2ccc(F)cc2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044351315 KK Annotated Anodyne CCCC[C@H]1C(=O)N(Cc2ccc(F)cc2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000044351317 KK Annotated Anodyne [O-][N+]1=C(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@H]5C=CCCCCN5[C@@H]32)C4)c2[nH]c3ccccc3c2CC1 ZINC000044351348 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000044351371 KK Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(N3CCN(C4CCC5(CC4)OOC4(O5)C5CC6CC(C5)CC4C6)CC3)c2c1 ZINC000044351390 KK Annotated Reactive COc1cc2c(cc1OC/C=C/COCCC#Cc1ccccc1C#Cc1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000044351420 KK Annotated Mild Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1ccc(-c2cccc3cccnc23)cc1 ZINC000044351438 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000044351456 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000044351460 KK Annotated Anodyne Cc1ccccc1-c1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000044351464 KK Annotated Anodyne CO/N=C\c1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000044351470 KK Annotated Mild CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@H]1[C@H](C)[C@@H](O)CCC1(C)C)/C=C/[C@H]1[C@H](C)C(=O)CCC1(C)C ZINC000044351504 KK Annotated Anodyne C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000044351508 KK Annotated Reactive C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000044351510 KK Annotated Reactive C=C(c1ccc(OCCCOc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000044351513 KK Annotated Reactive CC(C)C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000044351518 KK Annotated Anodyne COc1ccc2c(c1)CN([C@@H]1CC(c3ccccc3C(F)(F)F)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000044351529 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccccc3C(F)(F)F)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000044351531 KK Annotated Anodyne COc1ccccc1Nc1cc2c(c(Nc3ccccc3OC)c1C(C)C)C[C@@H]1[C@](C)(CCC[C@@]1(C)C(=O)O)C2 ZINC000044351550 KK Annotated Anodyne O=C1/C(=C/c2ccccc2Cl)CCC[C@]12[C@@H](c1ccccc1Cl)[C@@H]1CCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000044351552 KK Annotated Mild c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4onc5ccccc45)c(-c4ccccc4)c3)cc2)cc1 ZINC000044351586 KK Annotated Anodyne COC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000044351589 KK Annotated Anodyne in-vitro COc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c(C)[nH]c3ccccc23)cc1 ZINC000044351593 KK Annotated Mild CO[C@H]1O[C@@H]([C@H](O)C(C)(C)OC)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 ZINC000044351595 KK Annotated Anodyne CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OS(=O)(=O)O)[C@@](C)(COS(=O)(=O)O)[C@@H]1CC3 ZINC000044351671 KK Annotated Anodyne C#CCCCCCCCCCCCCCCCC/C=C\CCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000044351673 KK Annotated Mild COc1ccc(F)c(CCC[C@@H]2CC[C@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351700 KK Annotated Anodyne COc1ccc(F)c(CCC[C@H]2CC[C@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351702 KK Annotated Anodyne COc1ccc(F)c(CCC[C@@H]2CC[C@@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351704 KK Annotated Anodyne COc1ccc(F)c(CCC[C@H]2CC[C@@H](CCNCCCCCN3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)O2)c1 ZINC000044351707 KK Annotated Anodyne CNC(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12)c1ncc(-c2ccc3ccccc3c2)[nH]1 ZINC000044351721 KK Annotated Anodyne O=C1c2cccc3cccc(c23)[C@]12N[C@@H](c1ccccc1)[C@H](c1ccccc1Cl)[C@]21CCC/C(=C\c2ccccc2Cl)C1=O ZINC000044351729 KK Annotated Mild COc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000044351735 KK Annotated Anodyne Nc1ccc(/C=C2/CCCc3c2nc2nc4sc5c(n4c(=O)c2c3-c2ccc(Cl)cc2)ON[C@@H]5c2cccs2)cc1 ZINC000044351765 KK Annotated Anodyne Nc1ccc(/C=C2/CCCc3c2nc2nc4sc5c(n4c(=O)c2c3-c2ccc(Cl)cc2)ON[C@H]5c2cccs2)cc1 ZINC000044351767 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\C#CC(=O)OC ZINC000044351771 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\C#CC(=O)OC ZINC000044351773 KK Annotated Mild O=c1/c(=C/c2ccccc2)sc2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCC/C4=C/c1ccc(Cl)cc1 ZINC000044351814 KK Annotated Anodyne CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1 ZINC000044351846 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000044351901 KK Annotated Anodyne C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](OC(=O)/C=C/c3ccc(OC(=O)CCCCCCCCCCCCCCC)cc3)[C@@H]12 ZINC000044351921 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCOC(C)=O)[C@H](C(C)(C)COC(C)=O)CC[C@]43C)[C@@H]12 ZINC000044351935 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)O2 ZINC000044351947 KK Annotated Bother CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)C[C@@H]1CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)O)[C@@H](O)CC[C@]2(C)[C@@H]31 ZINC000044351949 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](c1ccc(OC)c(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c1)[C@H]1C(=O)OC[C@@H]1C2 ZINC000044351992 KK Annotated Anodyne COc1ccc2c(c1OC)[C@@H](CC1=C[C@H]3[C@H](C(C)C)CC[C@](C)(OC)[C@H]3CC1)N(C)c1c-2ccc2cc3c(cc12)OCO3 ZINC000044352014 KK Annotated Anodyne O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2C(F)(F)F)CN1C(=O)Nc1ccc(Cl)cc1 ZINC000044352026 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@H](C2)N(C)CC4)OCO3 ZINC000044352039 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5-c5cccc(C)c5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044352041 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044352047 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044352049 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044352051 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044352053 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/C(=O)C#C ZINC000044352065 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CC/C=C/C#C[C@@H](O)C#CCCCC/C=C\CCCCCC/C=C/C(=O)C#C ZINC000044352067 KK 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(CCOCCO)[C@H]1[C@H]2C ZINC000044352069 KK Annotated Mild CC(C)Nc1ccc(-n2c(C(=O)O)c(-c3ccc(OC(C)C)cc3)c3cc(Cc4ccc(C(C)(C)C)cc4)ccc32)cc1 ZINC000044352113 KK Annotated Anodyne CCOC1(OCC)C2=CC3=NC(=CC4=NC(=Cc5[nH]c(c(C)c5CC)C=C1c1ccccc12)C(CC)=C4CC)C(CC)=C3C ZINC000044352182 KK Annotated Anodyne COc1cc(O)c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@@H](c3ccc(O)cc3)C2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000044352188 KK Annotated Mild in-vitro biogenic FC(F)(F)c1ccc(Nc2nc(CNC3CCCCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1 ZINC000044352220 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000044352245 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000044352247 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000044352249 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccc(OC)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000044352251 KK Annotated Clean CO[C@@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C(C)(C)[C@@H](C)O4)C2=C1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C ZINC000044352269 KK Annotated Anodyne CO[C@@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C(C)(C)[C@H](C)O4)C2=C1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C ZINC000044352271 KK Annotated Anodyne CO[C@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C(C)(C)[C@@H](C)O4)C2=C1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C ZINC000044352273 KK Annotated Anodyne CO[C@H]1Cc2c(oc3c(CC=C(C)C)c4c(c(O)c3c2=O)C(C)(C)[C@H](C)O4)C2=C1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C ZINC000044352275 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)C[C@@H](O)[C@@]34C)[C@H]2C1 ZINC000044352284 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O ZINC000044352310 KK Annotated Mild COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(Cl)cc(Cl)c3O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000044352313 KK Annotated Reactive C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)S(=O)(=O)c6ccc(C#N)cc6)CC[C@]5(C)[C@H]4CC[C@]23CN1C ZINC000044352330 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5CCCC)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044352408 KK Annotated Mild COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3nc(O)c4ccccc4n3)c(SCc3ccccc3)cc2Cl)cc1 ZINC000044352426 KK Annotated Anodyne CC(=O)O[C@H]1C(NC(=O)c2ccccc2)=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]12 ZINC000044352430 KK Annotated Anodyne CC(C)c1ccccc1[C@@H]1CC(c2cccc(Br)c2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000044352505 KK Annotated Anodyne CC(C)c1ccccc1[C@H]1CC(c2cccc(Br)c2)=NN1c1nc2nc3ccccc3nc2s1 ZINC000044352507 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000044352558 KK Annotated Mild in-man endogenous COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)c(C[C@]3(C)[C@@H](C)CC[C@]4(C)C(C)=CCC[C@H]43)c2)cc1 ZINC000044352567 KK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1N1CCc2ccccc2C1 ZINC000044352602 KK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1N1CCc2ccccc2C1 ZINC000044352604 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(COCc3ccccc3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1 ZINC000044352613 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@@H]23 ZINC000044352633 KK Annotated Anodyne in-vivo CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)[nH]c(=O)nc-6n5-c5ccc(Cl)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000044352637 KK Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@@]3(C)O[C@@H]3[C@H]3[C@@H](O)[C@@H](COC(=O)c4ccccc4)C[C@]3(OC(=O)/C=C/c3ccccc3)C1=O)C2(C)C ZINC000044352652 KK Annotated Mild CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000044358289 KK Annotated Anodyne in-vitro COc1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C)cccc12 ZINC000044358294 KK Annotated Reactive CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1)OCC ZINC000044358349 KK Annotated Mild FC(F)(F)c1ccc(Nc2nc(CN3CCOCC3)nc3cc(-c4ncccc4C(F)(F)F)ccc23)cn1 ZINC000044358422 KK Annotated Anodyne CC(C)Nc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3cc(Br)ccc3c2Br)n1 ZINC000044358505 KK Annotated Mild CC(=O)O[C@H]1C[C@@H]2[C@](C)(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)/C1=C(C)/C=C/C=C(\C)[C@H](CC=C(C)C)OC(C)=O ZINC000044358540 KK Annotated Anodyne C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C/C#CC(=O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000044358550 KK Annotated Mild C#CCCCCCCCCCCCCCCCC/C=C\CC/C=C/C#CC(=O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000044358555 KK Annotated Mild CC1=C[C@H](c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)[C@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)CC1 ZINC000044358570 KK Annotated Bother in-man CO[C@]12C=C(c3c4[nH]c5ccccc5c4cc[n+]3C)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000044358603 KK Annotated Clean CC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000044358638 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000044358732 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccccc1Cl)C(C)(C)O2 ZINC000044359064 KK Annotated Bother CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/CC(C)C)CC[C@H]4[C@]34O[C@@H]4[C@H](OC(C)=O)[C@@]2(O)C1 ZINC000044359069 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O2 ZINC000044359119 KK Annotated Bother Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(OCC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044359144 KK Annotated Anodyne CCNc1nc(Nc2ccc(C#N)cc2)nc(Oc2ccc3cc(Br)ccc3c2Br)n1 ZINC000044359178 KK Annotated Mild CC(=O)N[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044359280 KK Annotated Reactive CO[C@@H](/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000044359339 KK Annotated Mild in-vitro CO[C@H](/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000044359344 KK Annotated Mild in-vitro CC1=CC(=O)CC(C)(C)[C@@]1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000044359456 KK Annotated Mild C=C(C)C[C@@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000044359492 KK Annotated Mild CN1C/C(=C\c2ccc(-c3cccs3)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(-c3cccs3)cc1)CN(C)[C@@]21C(=O)Nc2ccccc21 ZINC000044359532 KK Annotated Mild C[C@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)cn3)c3ccc(-c4ncccc4C(F)(F)F)cc3n2)C[C@@H](C)O1 ZINC000044359556 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O2 ZINC000044359783 KK Annotated Bother O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccc(Br)cc1 ZINC000044359815 KK Annotated Clean CCCCCCCCCCCC1=C(O)/C(=C2\C(=O)Oc3c2cc(OC)c(O)c3CCCCCCCCCCC)OC1=O ZINC000044359857 KK Annotated Mild in-vitro biogenic COc1cccc(/C=C/c2ccc(C(=O)Nc3nc4cc(N(C)C(=O)c5ccccc5)ccc4n3CCC(N)=O)s2)c1 ZINC000044359883 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@H]2OC(C)(C)O[C@@H]2C(C)(C)[C@@H]1CC3)C(C)C ZINC000044359915 KK Annotated Mild COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)N(C)C)c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1 ZINC000044359981 KK Annotated Anodyne FC(F)(F)c1cccc(CN(CCCOc2cccc3[nH]ccc23)CC(c2ccccc2)c2ccccc2)c1Cl ZINC000044360473 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)CC/C=C/[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000044360572 KK Annotated Anodyne C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000044360638 KK Annotated Reactive C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000044360644 KK Annotated Reactive C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000044360651 KK Annotated Reactive CC(=O)N[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000044360752 KK Annotated Reactive C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC1 ZINC000044360843 KK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC1 ZINC000044360849 KK Annotated Anodyne NCc1cccc(C[C@@H]2O[C@@H](CC(=O)NCc3ccccc3F)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccccc32)c1 ZINC000044360892 KK Annotated Anodyne C/C(=N/OC(=O)c1ccccc1[N+](=O)[O-])N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000044360908 KK Annotated Mild C/C(=N/OC(=O)c1ccccc1[N+](=O)[O-])N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000044360915 KK Annotated Mild Nn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1cc(F)c(Cl)cc1Cl ZINC000044360967 KK Annotated Anodyne Cc1c(/N=C(O)/C(C#N)=C2\SC=C(c3ccc(Cl)cc3)N2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000044360982 KK Annotated Reactive FC(F)(F)c1ccc(Nc2nc(N3CCCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000044361019 KK Annotated Anodyne C=CCNC(=O)c1cccc(Sc2ccc(NC(=O)NC(=O)c3ccc(OC)c(OC)c3Cl)cc2)c1 ZINC000044361031 KK Annotated Mild FC(F)(F)c1ccc(Nc2nc(N3CCOCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000044361133 KK Annotated Anodyne C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@]12C[C@H](O)[C@@H]([C@@]1(C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)O2 ZINC000044361213 KK Annotated Anodyne CC(C)C(=O)OCn1cc(CCNc2ncnc3ccsc23)s/c1=N\C(=O)Nc1cccc(Cl)c1 ZINC000044361254 KK Annotated Anodyne C[C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCc1cccc(I)c1 ZINC000044361551 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(C)=O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044361635 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC(C)=O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000044361640 KK Annotated Mild O=C(N/N=C/c1ccc(Br)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 ZINC000044361896 KK Annotated Reactive COC(=O)[C@H](C)N[P@@](=O)(OCCCNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)Oc1ccc(Cl)cc1 ZINC000044362111 KK Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCCNC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)Oc1ccc(Cl)cc1 ZINC000044362118 KK Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)Oc1ccc(Cl)cc1 ZINC000044362125 KK Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCCNC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)Oc1ccc(Cl)cc1 ZINC000044362131 KK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4cc5ccccc5o4)c(-c4ccccc4)c3)cc2)cc1 ZINC000044386264 KK Annotated Anodyne Cc1c(/N=C(O)/C(C#N)=C2\SC=C(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000044386285 KK Annotated Reactive C[C@@H](c1nccs1)N(C)C(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)NC(=O)C[C@H](C)C(Cl)(Cl)Cl ZINC000044386291 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000044386323 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000044386326 KK Annotated Clean CC1=C[C@H](c2c(O)c(C(=O)CCc3ccccc3)c(O)c([C@H]3C=C(C)CC[C@@H]3C(C)C)c2O)[C@@H](C(C)C)CC1 ZINC000044386359 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(NCC3CC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000044386373 KK Annotated Anodyne Cc1cc(-n2ccc(-c3nccs3)n2)c2nc(C(F)(F)F)n(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2n1 ZINC000044386402 KK Annotated Mild CC(=O)O[C@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)[C@H](O)CCC(C)C)[C@@]2(C)CC[C@H](O)[C@H](OC(C)=O)[C@H]12 ZINC000044386443 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(Cl)cc3Cl)C[C@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000044386449 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(Cl)cc3Cl)C[C@@H]2N2CCc3ccccc3C2)c(C)o1 ZINC000044386452 KK Annotated Anodyne CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC[C@]2(CCCNC2)C1 ZINC000044386543 KK Annotated Anodyne CCCCC#Cc1ccc(-c2c(C)c(C(=O)NN3C[C@H]4CCC[C@H]4C3)nn2-c2ccc(Cl)cc2Cl)s1 ZINC000044386552 KK Annotated Mild CCCCC#Cc1ccc(-c2c(C)c(C(=O)NN3C[C@H]4CCC[C@@H]4C3)nn2-c2ccc(Cl)cc2Cl)s1 ZINC000044386555 KK Annotated Mild CCCCC#Cc1ccc(-c2c(C)c(C(=O)NN3C[C@@H]4CCC[C@H]4C3)nn2-c2ccc(Cl)cc2Cl)s1 ZINC000044386559 KK Annotated Mild COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(Br)cc2)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000044386741 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(Br)cc2)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000044386743 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(N3CCCC3)nc3sc(Nc4c(Cl)cccc4Cl)nc23)cc1 ZINC000044386780 KK Annotated Anodyne COc1cc(C)c2c(c1)O[C@@]1(C)Cc3cc4c(c(O)c3[C@@H]2O1)C(=O)c1c(O)c(Cl)c(O)c(Cl)c1C4(C)C ZINC000044386840 KK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC1 ZINC000044386856 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000044386859 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O1 ZINC000044386862 KK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC1 ZINC000044386865 KK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC1 ZINC000044386868 KK Annotated Anodyne C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000044387123 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000044387127 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000044387130 KK Annotated Reactive CCN(CC)c1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000044387173 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000044387205 KK Annotated Anodyne COCCN(C)c1nc(Nc2ccc(C(F)(F)F)cc2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000044387305 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](OC(C)=O)[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000044387389 KK Annotated Mild CC1=C[C@H](c2c(O)c(C(=O)CCc3ccccc3)c(O)c([C@H]3C=C(C)CC[C@H]3C(C)C)c2O)[C@H](C(C)C)CC1 ZINC000044387492 KK Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(NCCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)c2c1 ZINC000044387501 KK Annotated Reactive O=C1CCC[C@@H]2C[C@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c3c2O[C@H](c2ccccc2)CC3=O)O1 ZINC000044387590 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C([C@@H](CC(=O)O)c3ccccc3)=C3O[C@@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000044387620 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C([C@@H](CC(=O)O)c3ccccc3)=C3O[C@@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000044387623 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000044387628 KK Annotated Mild CC(=O)Nc1cccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2O)c1 ZINC000044387638 KK Annotated Anodyne CC(=O)O[C@@H]1CO[C@@H](Oc2cc(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)cc2C)[C@@H](O)[C@@H]1O ZINC000044387687 KK Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)Oc1ccc(Cl)cc1 ZINC000044387699 KK Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)Oc1ccc(Cl)cc1 ZINC000044387702 KK Annotated Anodyne COC(=O)[C@H](C)N[P@@](=O)(OCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1)Oc1ccc(Cl)cc1 ZINC000044387705 KK Annotated Anodyne COC(=O)[C@H](C)N[P@](=O)(OCCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1)Oc1ccc(Cl)cc1 ZINC000044387708 KK Annotated Anodyne O=C1CCC[C@@H]2C[C@H](C[C@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000044387807 KK Annotated Mild CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000044387910 KK Annotated Anodyne CSc1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000044387991 KK Annotated Anodyne CS(=O)(=O)c1nc(Nc2ccc(C(F)(F)F)c(Cl)c2)c2nc(Nc3c(Cl)cccc3Cl)sc2n1 ZINC000044387994 KK Annotated Anodyne CC[C@@H](C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000044388029 KK Annotated Anodyne COc1cccc2c(-c3ccc4c(c3OCc3ccc(C(F)(F)F)cc3)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 ZINC000044388065 KK Annotated Anodyne COc1c(Br)cc(Br)c(Br)c1Oc1ccccc1Br ZINC000044388142 KK Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)c2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)c1 ZINC000044388239 KK Annotated Mild COc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccccc1Br ZINC000044388306 KK Annotated Anodyne Fc1cc(-c2cc(-c3nnc(COc4ccc(Cl)cc4Cl)o3)c3ccccc3n2)c(Cl)cc1Cl ZINC000044388321 KK Annotated Anodyne COc1cc(O)ccc1[C@H]1Oc2cc3oc(=O)ccc3cc2[C@@H]2C=C(C)C[C@@H](c3ccc(O)cc3OC)[C@H]12 ZINC000044388347 KK Annotated Anodyne in-vivo CC(C)c1onc(COc2c(Cl)cc(Cl)cc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000044388363 KK Annotated Anodyne O=S1(=O)N[C@]2(CN1CC(F)(F)F)[C@H]1CC[C@@H]2Cc2cc(-c3cn(-c4ccc(Cl)c(Cl)c4)cn3)ccc2C1 ZINC000044388483 KK Annotated Anodyne CCc1c(-c2nnc(C3(c4ccc(C)cc4)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000044403950 KK Annotated Anodyne COc1cccc(S(=O)(=O)c2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)c1 ZINC000044403954 KK Annotated Mild CO[C@@H]1C[C@@]2(C)[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]2(C)C2=C1[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]2O ZINC000044404002 KK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)C[C@@H](C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000044404014 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000044404029 KK Annotated Mild in-vitro C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@H](OC(=O)CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@@H](O)C[C@H]1C ZINC000044404033 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2OC)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000044404037 KK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4nc5ccccc5o4)c(-c4ccccc4)c3)cc2)cc1 ZINC000044404089 KK Annotated Anodyne O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccc(F)cc3F)c12)c1cc(Cl)c(Cl)s1 ZINC000044404101 KK Annotated Mild C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](c3ccccc3)CN(CCCc3ccccc3)C2)C1=O ZINC000044404135 KK Annotated Anodyne C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c1oc1c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000044404182 KK Annotated Mild C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c(O)c2c1oc1c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000044404186 KK Annotated Mild C=C(C)[C@@H](O)Cc1c(O)c(C(=O)[C@H](C)CC)c(O)c2c1oc1c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000044404190 KK Annotated Mild Cn1c(Sc2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)nc2ccccc21 ZINC000044404335 KK Annotated Mild COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1c(CC=C(C)C)cc(OC)c(OC)c1CC=C(C)C)[C@@H](O)C2=O ZINC000044404394 KK Annotated Anodyne CO[C@@H](/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000044404483 KK Annotated Mild CO[C@H](/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000044404487 KK Annotated Mild Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(OCc3ccccc3)cc2F)cs1 ZINC000044404540 KK Annotated Mild Cc1nc(C(=O)N2c3cccc(O)c3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(OCc3ccccc3)cc2F)cs1 ZINC000044404543 KK Annotated Mild CC(C)c1onc(-c2c(Cl)cncc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000044404630 KK Annotated Anodyne Cn1nc(-c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)cc1-c1ccc(Cl)c(Cl)c1 ZINC000044404641 KK Annotated Anodyne CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1 ZINC000044404728 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(O)c2-c2c(cc(OC)c(OC)c2OC)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000044404744 KK Annotated Anodyne O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccc(Cl)cc3Cl)c12)c1cc(Cl)c(Cl)s1 ZINC000044404880 KK Annotated Mild CN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(-c3nnc(Nc4ccc(Cl)cc4)s3)c(-c3ccccc3)n2)cc1 ZINC000044404920 KK Annotated Mild Cc1ccc(Nc2nnc(-c3cn(-c4ccc(S(=O)(=O)/N=C/N(C)C)cc4)nc3-c3ccccc3)s2)cc1 ZINC000044404924 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@@H](C(C)(C)OC(C)=O)O4)CC[C@]23C)C1(C)C ZINC000044405172 KK Annotated Anodyne C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](C3CCCCC3)CN(CCCc3ccccc3)C2)C1=O ZINC000044405361 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H](CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2c2cc3c(cc2Br)OCO3)cc1 ZINC000044405431 KK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2C(F)(F)F)C[C@H]1N1CCc2ccccc2C1 ZINC000044405502 KK Annotated Anodyne Cc1oc(-c2ccc(F)cc2F)nc1N1N=C(c2ccccc2C(F)(F)F)C[C@@H]1N1CCc2ccccc2C1 ZINC000044405506 KK Annotated Anodyne O=c1c2cc(Br)ccc2nc(CSc2nnc(-c3ccncc3)o2)n1/N=C/c1ccc(Cl)cc1 ZINC000044405575 KK Annotated Mild CC(C)c1onc(CCc2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000044405796 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000044405824 KK Annotated Anodyne in-vitro CC(C)c1onc(COc2ccccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)O)c2)c(Cl)c1 ZINC000044405940 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C(C)(C)[C@@H](O)[C@H](O)C[C@]4(C)C3=C[C@H](OC(C)=O)[C@@]21C)C(C)C ZINC000044406043 KK Annotated Mild CCCCCCCCCCCCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044406056 KK Annotated Mild CCCCCCCCCCCCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1C ZINC000044406060 KK Annotated Mild CCCCCCCCC[C@H](O)CCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000044406072 KK Annotated Mild CCCCCCCCC[C@@H](O)CCCCC[C@@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000044406076 KK Annotated Mild CCCCCCCCC[C@H](O)CCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000044406079 KK Annotated Mild CCCCCCCCC[C@@H](O)CCCCC[C@H]1CC(=O)NCCCN(C)CCCCN(C)CCCN1 ZINC000044406083 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000044406204 KK Annotated Mild CN1C[C@@H](c2ccc(Br)cc2)[C@@]2(CCc3c([nH]c4ccccc34)C2=O)C12C(=O)c1ccccc1C2=O ZINC000044406233 KK Annotated Clean C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](NC(=O)c5ccccc5)CC[C@]4(O)CC3=CC[C@]12C)N(C)C ZINC000044406349 KK Annotated Anodyne in-vitro biogenic C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/C(=O)C#C ZINC000044406479 KK Annotated Mild C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(Cl)cc(Cl)c1O ZINC000044406485 KK Annotated Reactive c1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4noc5ccccc45)c(-c4ccccc4)c3)cc2)cc1 ZINC000044406594 KK Annotated Anodyne O=[P@](O)(OCCBr)OCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCCBr ZINC000044406717 KK Annotated Reactive CCN/C(=N/c1ccc(OCCn2c3ccccc3c3ccccc32)cc1)SCc1ccc(C(=O)OC)cc1 ZINC000044406822 KK Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](OC(C)=O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000044416811 KK Annotated Anodyne CCCCCCCCCCCC[C@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000044416867 KK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC=C2C3=C(C(=O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000044416890 KK Annotated Mild COc1cc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3nnc(-c4ccc(Cl)cc4)nc23)cc(OC)c1OC ZINC000044417043 KK Annotated Anodyne Cc1[nH]nc(OCC(=O)Nc2ccc(C#CC(C)(C)C(=O)O)cc2Cl)c1-c1ccc(C(C)(C)C)cc1Cl ZINC000044417103 KK Annotated Mild COC(C)(C)/C=C/C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C ZINC000044417142 KK Annotated Anodyne N#Cc1cc(NC(=O)CN2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)SC2=S)ccc1C(F)(F)F ZINC000044417154 KK Annotated Mild O=C1C([C@]2([C@@]3(C4=Nc5ccccc5C4=O)Nc4ccccc4C3=O)Nc3ccccc3C2=O)=Nc2ccccc21 ZINC000044417281 KK Annotated Anodyne O=C1C([C@]2([C@]3(C4=Nc5ccccc5C4=O)Nc4ccccc4C3=O)Nc3ccccc3C2=O)=Nc2ccccc21 ZINC000044417285 KK Annotated Anodyne O=C1C([C@@]2([C@]3(C4=Nc5ccccc5C4=O)Nc4ccccc4C3=O)Nc3ccccc3C2=O)=Nc2ccccc21 ZINC000044417289 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3C(F)(F)F)C[C@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000044417368 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccccc3C(F)(F)F)C[C@@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000044417372 KK Annotated Anodyne Cc1[nH]nc(OCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c1-c1ccc(C(C)(C)C)cc1Cl ZINC000044417381 KK Annotated Anodyne O=C(CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S)NCc1ccc(C(F)(F)F)cc1 ZINC000044417400 KK Annotated Clean O[C@@H](CN1c2cccc(-c3ccc(OC(F)(F)F)cc3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000044417507 KK Annotated Mild O[C@@H](CN1c2cccc(-c3ccc(OC(F)(F)F)cc3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000044417511 KK Annotated Mild COc1ccc(N[C@H]2NC(SC)=Nc3nc4c(c(-c5ccc(Cl)cc5)c32)CCC/C4=C/c2ccc(Cl)cc2)cc1 ZINC000044417566 KK Annotated Anodyne COc1ccc(N[C@@H]2NC(SC)=Nc3nc4c(c(-c5ccc(Cl)cc5)c32)CCC/C4=C/c2ccc(Cl)cc2)cc1 ZINC000044417569 KK Annotated Anodyne O=c1oc(-c2ccc(O)cc2)cn2cc(-c3ccc(O)c(I)c3)c(-c3ccc(O)cc3)c12 ZINC000044417659 KK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000044417786 KK Annotated Anodyne CC(C)=C[C@H](O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000044417790 KK Annotated Anodyne CCCCCCCCCC[C@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000044417934 KK Annotated Reactive CCCCCCCCCC[C@@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000044417939 KK Annotated Reactive C[C@@H](C(=O)N(C)Cc1ccccc1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3ccc(Br)cc3)nn2)O1 ZINC000044418046 KK Annotated Mild CN1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21 ZINC000044418055 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000044418074 KK Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000044418168 KK Annotated Anodyne CC[C@@H]1C(C)=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C/C(=O)[C@]23C(=O)N[C@@H]([C@H](C)c2c[nH]c4ccccc24)[C@H]13 ZINC000044418229 KK Annotated Mild Sc1nnc(CO[C@@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418308 KK Annotated Anodyne Sc1nnc(CO[C@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418312 KK Annotated Anodyne COc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)co2)c2c[nH]c3ccccc23)cc1 ZINC000044418425 KK Annotated Mild CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@H](CC3CCC3)C(=O)O)C[C@@H]2c2ccccc2)CC1 ZINC000044418477 KK Annotated Anodyne C/C(=N\NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(Cl)cc(Cl)c1O ZINC000044418615 KK Annotated Reactive Sc1nnc(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418739 KK Annotated Anodyne Sc1nnc(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418742 KK Annotated Anodyne Cc1ccc(-n2nccc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044418753 KK Annotated Anodyne Cc1ccc(-n2ncc(C)c2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044418757 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@@H](O)CC=C(C)C)[C@@]3(C)CC[C@H]2[C@@]1(C)CO ZINC000044418835 KK Annotated Mild COc1ccc2c(c1)CN([C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000044418888 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccc(F)cc3F)oc1C)CC2 ZINC000044418892 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)/C=C/CCC(=O)O1 ZINC000044418896 KK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418944 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418948 KK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418952 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2cccc(Br)c2)cc1 ZINC000044418956 KK Annotated Clean O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044418976 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044418980 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044418984 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044418989 KK Annotated Reactive COc1cccc(S(=O)(=O)N(Cc2cccs2)C[C@@H](O)[C@H](Cc2ccccc2)Nc2cc(F)c(F)c(O)c2F)c1 ZINC000044419029 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(Cl)cc3Cl)C[C@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000044419033 KK Annotated Anodyne C=Cc1ccccc1-c1nc(N2N=C(c3ccc(Cl)cc3Cl)C[C@@H]2N2CCc3ccc(OC)cc3C2)c(C)o1 ZINC000044419041 KK Annotated Anodyne CCOC(=O)[C@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419051 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419054 KK Annotated Clean CCOC(=O)[C@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419058 KK Annotated Clean CCOC(=O)[C@@]1(C(C)=O)[C@@H](c2ccc(N(C)C)cc2)N1c1ccc(/N=N/c2ccc(Br)cc2)cc1 ZINC000044419061 KK Annotated Clean O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000044419073 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000044419249 KK Annotated Anodyne CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3cc(C(F)(F)F)cc(C(F)(F)F)c23)on1 ZINC000044419253 KK Annotated Mild COc1cc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000044419257 KK Annotated Reactive CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 ZINC000044419354 KK Annotated Reactive CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 ZINC000044419358 KK Annotated Reactive CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 ZINC000044419361 KK Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000044430304 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000044430305 KK Annotated Mild in-vitro biogenic CCCCO[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](CC)C(C)C)[C@@]2(C)CC[C@H](O)C[C@]12O ZINC000044430309 KK Annotated Anodyne Cc1ccc(-c2c(SCC(=O)Nc3ccc(-c4ccc(CC(=O)O)cc4)cc3Cl)cnn2C)c(Cl)c1 ZINC000044430324 KK Annotated Anodyne Cc1ccc(-c2ncsc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044430331 KK Annotated Anodyne CCc1c(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(SCc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC000044430338 KK Annotated Bother CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(NC(=O)[C@H]4CCCN4Cc4cccc(OC(F)(F)F)c4)ccc3CC[C@H]2O)cc1 ZINC000044430342 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@H](c2cccc(Cl)c2)N(c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000044430366 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2cccc(Cl)c2)N(c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000044430368 KK Annotated Anodyne Cc1ccc(-c2ncoc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044430382 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@@H]1OC(=O)CCCC[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000044430385 KK Annotated Anodyne Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 ZINC000044430413 KK Annotated Reactive COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2cccs2)N(c2ccc(OC)cc2)[C@H]1c1cccs1 ZINC000044430422 KK Annotated Clean COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2cccs2)N(c2ccc(OC)cc2)[C@@H]1c1cccs1 ZINC000044430424 KK Annotated Clean COc1cc(/C(=N\Nc2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)nnc2O)cc(OC)c1OC ZINC000044430453 KK Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H](N(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000044430455 KK Annotated Anodyne COC(=O)[C@@H]1[C@@H](OS(=O)(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@H]([C@H](C)C[C@@H](O)C=C(C)C)[C@@]1(C)CC3 ZINC000044430459 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H]1CC[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)CCCCC(=O)O1 ZINC000044430484 KK Annotated Anodyne Cc1ccc(-c2c(SCC(=O)Nc3ccc(-c4ccc(OCC(=O)O)cc4)cc3Cl)ccn2C)c(Cl)c1 ZINC000044430514 KK Annotated Anodyne O=C(CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000044430530 KK Annotated Anodyne CCN(CC)Cc1ccc(OCCCCCCN2CC[C@@]34C=C[C@H](O)C[C@@H]3Oc3c(OC)ccc(c34)C2)cc1 ZINC000044430540 KK Annotated Anodyne Cc1ccc(-n2c(C)cnc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044430577 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)C[C@H]1OC[C@]23O[C@H]2[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)C[C@@]132 ZINC000044430613 KK Annotated Mild Cc1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C)cccc12 ZINC000044430617 KK Annotated Reactive CCCCCCCCCCCCCCCCOCCCO[P@@]1(=O)CO[C@@H](CN2CCC(=N)NC2=O)CO1 ZINC000044430663 KK Annotated Mild CCCCCCCCCCCCCCCCOCCCO[P@]1(=O)CO[C@@H](CN2CCC(=N)NC2=O)CO1 ZINC000044430665 KK Annotated Mild CC(C)(C)c1ccc(-c2c[nH]nc2OCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000044430690 KK Annotated Anodyne Cn1cc(/C=C/C(O)=N/S(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)c(Cl)c3)cccc21 ZINC000044430692 KK Annotated Mild Cn1cc(/C=C/C(O)=N/S(=O)(=O)c2cc(F)c(F)cc2F)c2c(Oc3ccc(Cl)cc3Cl)cccc21 ZINC000044430693 KK Annotated Mild N#Cc1cccc(-c2cccc3c2CC[C@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@H](O)C(F)(F)F)c1 ZINC000044430705 KK Annotated Mild N#Cc1cccc(-c2cccc3c2CC[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@H](O)C(F)(F)F)c1 ZINC000044430707 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN[C@@H]5C2)OCO4)CCN1C ZINC000044430711 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1 ZINC000044430726 KK Annotated Bother CC(C)(C)C(=O)OCn1cc(CCNc2ncnc3ccsc23)s/c1=N\C(=O)Nc1cccc(Cl)c1 ZINC000044430728 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044430778 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044430780 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044430781 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 ZINC000044430783 KK Annotated Reactive COC1=C(OC)C(=O)[C@]23COc4c5c(cc(c42)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](C)[C@H](C)CC3=C1)OCO5 ZINC000044430789 KK Annotated Mild CCn1cc(C(=O)O)c(=O)c2cc(Sc3ccccc3)c(Sc3ccccc3)c(Sc3ccccc3)c21 ZINC000044430816 KK Annotated Anodyne Clc1ccc2[nH]c3c[n+](CCCCCCCCCC[n+]4ccc5c(c4)[nH]c4ccc(Cl)cc45)ccc3c2c1 ZINC000044430868 KK Annotated Anodyne Cc1c(-c2nnc(C(C)(C)C)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000044430877 KK Annotated Anodyne O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccc(Cl)cc3)c12)c1cc(Cl)c(Cl)s1 ZINC000044430914 KK Annotated Mild COc1ccc(Sc2c[nH]c3cccc(OC/C(O)=N/S(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1 ZINC000044430915 KK Annotated Mild O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2nc(O)c3ccccc3n2)c(SCc2ccccc2)cc1Cl ZINC000044431030 KK Annotated Anodyne Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3nc(O)c4ccccc4n3)c(SCc3ccccc3)cc2Cl)cc1 ZINC000044431062 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2nc(O)c3ccccc3n2)c(SCc2ccccc2)cc1Cl ZINC000044431064 KK Annotated Anodyne CC(=O)CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000044431226 KK Annotated Anodyne C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@@H](c3ccccc3)N(C(=O)CCl)[C@H](c3ccccc3)C2)cc1 ZINC000044431255 KK Annotated Reactive C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@H](c3ccccc3)N(C(=O)CCl)[C@H](c3ccccc3)C2)cc1 ZINC000044431257 KK Annotated Reactive CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](N2CCOCC2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000044431385 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](N2CCOCC2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000044431388 KK Annotated Anodyne CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 ZINC000044431468 KK Annotated Reactive CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 ZINC000044431470 KK Annotated Reactive CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 ZINC000044431474 KK Annotated Reactive C[C@@H](C(=O)N1CCCC1)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 ZINC000044431485 KK Annotated Mild Brc1ccc(/C=C/CSSC/C=C/c2ccc(Br)cc2Br)c(Br)c1 ZINC000044431489 KK Annotated Reactive COc1ccc2c(c1)CN([C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000044431497 KK Annotated Anodyne COc1ccc2c(c1)CN([C@H]1CC(c3ccc(Cl)cc3Cl)=NN1c1nc(-c3ccccc3F)oc1C)CC2 ZINC000044431500 KK Annotated Anodyne CC(=O)c1sc2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n2c1C)CCC/C4=C/c1ccc(Cl)cc1 ZINC000044431672 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](N2CCNCC2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000044431674 KK Annotated Anodyne CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](N2CCNCC2)N1)CCC/C3=C/c1ccc(Cl)cc1 ZINC000044431677 KK Annotated Anodyne O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccc(F)cc3Cl)c12)c1cc(Cl)c(Cl)s1 ZINC000044431800 KK Annotated Mild O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccccc3Cl)c12)c1cc(Cl)c(Cl)s1 ZINC000044431803 KK Annotated Mild Nc1ncc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)nc1NCc1c(Cl)cccc1Cl ZINC000044460263 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)C(CC=C(C)C)=C(O)[C@]1(C(=O)C(C)C)C2=O ZINC000044675967 KK Annotated Mild in-vitro biogenic COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000004500181 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000004500182 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000004500183 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)c1 ZINC000004500184 KK Annotated Anodyne CCCCC(CCCC)OC(=O)CCCCCCCCCCOC(=O)Cc1ccc(N=c2cc3oc4cc(N(C)C)ccc4nc-3c3ccccc23)cc1 ZINC000004517685 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000004528359 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000004528361 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000004528363 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000004528367 KK Annotated Anodyne O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 ZINC000004613450 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000004618460 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000004618463 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000004618468 KK Annotated Reactive Cc1cccc(O)c1C(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004654668 KK Annotated Bother in-vitro Cc1cccc(O)c1C(=O)O[C@H](C)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004654669 KK Annotated Bother in-vitro Cc1cccc(O)c1C(=O)O[C@@H](C)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004654670 KK Annotated Bother in-vitro Cc1cccc(O)c1C(=O)O[C@H](C)c1cccc2nc3c(C(=O)O)cc4c(c3nc12)[C@H](C)c1cccc2c1N4c1cccc(C(=O)O)c1N2 ZINC000004654671 KK Annotated Bother in-vitro CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000004654972 KK Annotated Anodyne in-vitro CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004654973 KK Annotated Anodyne in-vitro CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000004654974 KK Annotated Anodyne in-vitro CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCO[C@H](CO)COCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000004654975 KK Annotated Anodyne in-vitro Nc1c(/N=N/c2ccc(S(=O)(=O)O)cc2)cc(S(=O)(=O)O)c2ccc(/N=N/c3cccc4ccccc34)c(O)c12 ZINC000004707914 KK Annotated Clean C=C(C)CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000004772185 KK Annotated Mild in-man endogenous C=C(C)CC[C@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O)C(=C)C ZINC000004772186 KK Annotated Mild in-man endogenous N=C(N)NC(=N)Nc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4cc([N+](=O)[O-])ccc34)cc2)cc1 ZINC000004774219 KK Annotated Clean O=C1N=C(O)[C@@H]2[C@H]3C=C([C@@](O)(c4ccccc4)c4ccccn4)[C@H](/C3=C(/c3ccccc3)c3ccccn3)[C@@H]12 ZINC000004775911 KK Annotated Anodyne in-vitro O=C(O)C[C@H](Cc1ccccc1)NC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000004790664 KK Annotated Anodyne Cc1ccc(/N=N/c2c(N)c(C)cc(/N=N/c3ccc(/N=N/c4ccc(O)c(C(=O)O)c4)cc3)c2N)c(S(=O)(=O)O)c1 ZINC000004822064 KK Annotated Clean O=C(NCCCCc1nc2nc(N3CCc4ccccc4C3)ccc2[nH]c1=O)OCc1ccc(Cl)cc1Cl ZINC000004830470 KK Annotated Anodyne COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1C/C(=C\C(=O)NCCCN3C(=O)c4cccc5cccc(c45)C3=O)CN1C2=O ZINC000004847344 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(c4c5nc(cc6[nH]c(cc1n2)c(C=O)c6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@H](CCC(=O)O)[C@@H]3C ZINC000004887165 KK Annotated Bother Cc1cc2c(C(C)C)c(O)c(O)c(/C=N\O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/O)c2c1O ZINC000004914515 KK Annotated Mild Cc1ccc([C@@]2(C)CC/C(=N/N=C3\CC[C@](C)(c4ccc(C)c(C)c4)c4cc(C)c(C)cc43)c3cc(C)c(C)cc32)cc1C ZINC000004994261 KK Annotated Mild O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OC[C@@H]4CCCCN4)cccc3c2-c2ccncc2)c1 ZINC000045166875 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1cccc(-c2nn3c(OC[C@H]4CCCCN4)cccc3c2-c2ccncc2)c1 ZINC000045166877 KK Annotated Anodyne O=S(=O)(c1csc2ccccc12)N(CCC(O)(C(F)(F)F)C(F)(F)F)Cc1cccc(O)c1 ZINC000045166891 KK Annotated Anodyne O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@@H]1CN1CC[C@H](O)C1 ZINC000045166956 KK Annotated Anodyne O=C(c1cccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)s2)c1)N1CCCC[C@H]1CN1CC[C@H](O)C1 ZINC000045166959 KK Annotated Anodyne CN(C)CCN(C)Cc1nc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)ccnc3c2)cs1 ZINC000045167000 KK Annotated Anodyne COc1c(C2CCN(CCCC/N=C(O)/C=C/c3ccccc3C(F)(F)F)CC2)ccc2c1CCCC2 ZINC000045167046 KK Annotated Mild O=S(=O)(Nc1cccc(CCN2CCCC[C@@H]2CCN2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167582 KK Annotated Anodyne O=S(=O)(Nc1cccc(CCN2CCCC[C@H]2CCN2CCCC2)c1)c1ccc(Oc2ccccc2)cc1 ZINC000045167585 KK Annotated Anodyne COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)C[C@H]1C ZINC000045167600 KK Annotated Anodyne CC(C)c1ccc(NC(=O)N2CCc3ccc(OCCN(C(C)C)C(C)C)cc32)c(Br)c1 ZINC000045167664 KK Annotated Anodyne O=S(=O)(c1cc2ccccc2s1)N(CCC(O)(C(F)(F)F)C(F)(F)F)Cc1cccc(O)c1 ZINC000045167872 KK Annotated Anodyne CN1CCc2cc(NS(=O)(=O)c3ccc(-c4ccc(Cl)s4)cc3)c(N3CCCCC3)cc2CC1 ZINC000045167882 KK Annotated Anodyne Cc1ccc(Cn2cnc(N3C[C@H](C)N[C@H](C)C3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045168809 KK Annotated Anodyne Cc1ccc(Cn2cnc(N3C[C@@H](C)N[C@H](C)C3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045168812 KK Annotated Anodyne Cc1ccc(Cn2cnc(N3C[C@H](C)N[C@@H](C)C3)cc2=O)cc1NC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000045168815 KK Annotated Anodyne Cc1nc(-c2cccc(C(=O)N(Cc3cncn3Cc3cccc(C(F)(F)F)c3)CC3CC3)c2)cs1 ZINC000045186984 KK Annotated Anodyne N#Cc1ccc(/C=C/C(O)=N/C2CCC(CCN3CCc4ccc(-c5cnccn5)cc4CC3)CC2)cc1 ZINC000045187750 KK Annotated Mild CC(C)(CNCc1cc(Cl)cc(Cl)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045188710 KK Annotated Anodyne CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1F)CCN(C)CC2 ZINC000045189335 KK Annotated Anodyne Cc1nnc2c(N(C(=O)NCCc3ccccc3)C(=O)NCCc3ccccc3)cc3cc(Cl)ccc3n12 ZINC000045189762 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)N[C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000045190167 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)N[C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000045190170 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)N[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000045190173 KK Annotated Anodyne C[C@@H](Cc1ccc(Cl)cc1)Nc1nc(NC2CCCC2)nc(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000045190299 KK Annotated Mild C[C@H](Cc1ccc(Cl)cc1)Nc1nc(NC2CCCC2)nc(N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000045190302 KK Annotated Mild CC(C)(C)c1ccc(CN(C[C@@H](O)CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1 ZINC000045191090 KK Annotated Anodyne CNCCN(C)C(=O)Oc1c(Cl)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000045191548 KK Annotated Anodyne CCCNCc1ccc(-c2ccc(CN(Cc3cnc(C)cn3)C(=O)/C=C/c3ccccc3C)cc2)nc1 ZINC000045191854 KK Annotated Anodyne CC(C)CNCc1ccc(-c2ccc(CN(CCCN3CCN(C)CC3)C(=O)CCC3CCCC3)cc2)cc1 ZINC000045191968 KK Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(ccn3[C@@H]3CCCN(Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192987 KK Annotated Anodyne Cc1cc(C(=O)Nc2ccc3c(ccn3[C@H]3CCCN(Cc4ccc(C(F)(F)F)cc4F)CC3)c2)no1 ZINC000045192989 KK Annotated Anodyne CC(C)CNCc1ccc(-c2ccc(CN(CCCN3CCN(C)CC3)C(=O)/C=C/c3ccccc3)cc2)cc1 ZINC000045193165 KK Annotated Anodyne CC(C)COc1ccc2ccccc2c1CNCCCCCCNCc1c(OCC(C)C)ccc2ccccc12 ZINC000045194708 KK Annotated Anodyne CCc1c(CCNCCCCCCNC(C)(C)Cc2ccc3c(c2CC)OCO3)ccc(OC)c1OC ZINC000045194902 KK Annotated Anodyne COc1c(C2CCN(CCCC/N=C(O)/C=C/c3cc4cc(Cl)ccc4o3)CC2)ccc2c1CCCC2 ZINC000045195019 KK Annotated Mild COc1cc(NC(=O)/C=C/c2cc(F)cc(F)c2F)cc(OCCN2CCC(O)(c3ccccc3)CC2)c1 ZINC000045195283 KK Annotated Anodyne CC(C)C[C@@H](C)NC(=O)[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045195347 KK Annotated Anodyne CC(C)C[C@H](C)NC(=O)[C@@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045195351 KK Annotated Anodyne CC(C)C[C@@H](C)NC(=O)[C@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045195353 KK Annotated Anodyne CC(C)C[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3cc(Cl)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000045195356 KK Annotated Anodyne Cc1[nH]c(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(=O)c1I ZINC000045195406 KK Annotated Anodyne N#Cc1ccc2c(c1)CN(CCC1CCC(NC(=O)c3cc4cc(OC(F)(F)F)ccc4[nH]3)CC1)CC2 ZINC000045195450 KK Annotated Mild CC(C)CCN(Cc1cncn1Cc1cccc(C(F)(F)F)c1)C(=O)c1cncc(-c2ccccc2)c1 ZINC000045195824 KK Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnc(-c3cccc(-c4cncnc4)c3)o2)c1 ZINC000045196173 KK Annotated Anodyne Fc1ccc2nc(-c3ccc(-c4ccc(CN5CCC(CCN6CCCCC6)CC5)cc4)s3)[nH]c2c1 ZINC000045201268 KK Annotated Anodyne Cc1ccc(-c2ccc3c(c2)C=C(C(=O)NC2CCN(CCNC(=O)c4cccs4)CC2)CCC3)cc1 ZINC000045201487 KK Annotated Anodyne Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)c2ccccc2)c1Cl ZINC000045201586 KK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5c(C)cccc5[nH]4)s3)c2)c1 ZINC000045201639 KK Annotated Anodyne COc1cc(NCC2(CNCc3cn(Cc4ccccc4)c4ccccc34)CCCCC2)nc2ccccc12 ZINC000045201698 KK Annotated Anodyne CC(C)(C)c1ccc(CNCC(C)(C)c2nc(-c3ccnc(N)n3)c(-c3ccc(Cl)c(O)c3)[nH]2)cc1 ZINC000045201871 KK Annotated Anodyne Cc1ccccc1C1CCN(C2CCC(NC(=O)c3ccc(-c4cc(C(F)(F)F)nn4C)s3)CC2)CC1 ZINC000045202211 KK Annotated Anodyne COc1ccc(Cn2c(Nc3cccc(C(F)(F)F)c3)nc3cc(C(=O)NC(C)C)cnc32)cc1Cl ZINC000045202381 KK Annotated Anodyne CC(C)Oc1cc2c(cc1NS(=O)(=O)c1ccc(-c3ccc(Cl)s3)cc1F)CCN(C)CC2 ZINC000045202456 KK Annotated Anodyne O=c1ccc2ccc(F)c3c2n1C[C@H]3CN1CCC(NCc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000045202725 KK Annotated Anodyne O=c1ccc2ccc(F)c3c2n1C[C@@H]3CN1CCC(NCc2ccc(-c3cccc(Cl)c3)nc2)CC1 ZINC000045202726 KK Annotated Anodyne Oc1ccc(Br)cc1-c1nc2ccc(Cl)cc2nc1-c1cc(Br)ccc1O ZINC000045202841 KK Annotated Clean Cc1cc2nc(-c3cc(Br)ccc3O)c(-c3cc(Br)ccc3O)nc2cc1C ZINC000045209973 KK Annotated Clean CC(C)(CNCCOc1ccc(Cl)cc1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045210033 KK Annotated Anodyne COc1ccccc1CCC(C)(C)NC(=O)C[C@@H](CCc1ccccc1)Nc1ccc(C#N)c2ccccc12 ZINC000045210690 KK Annotated Mild COc1ccccc1CCC(C)(C)NC(=O)C[C@H](CCc1ccccc1)Nc1ccc(C#N)c2ccccc12 ZINC000045210695 KK Annotated Mild O=C(NCc1ccccn1)[C@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000045211434 KK Annotated Anodyne O=C(NCc1ccccn1)[C@@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000045211438 KK Annotated Anodyne CC(C)(CNCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000045227508 KK Annotated Anodyne CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N/Nc1cccc(-c2cccc(/N=C(/O)OC(C)(C)C)c2)c1O ZINC000045227858 KK Annotated Mild c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)ccc1OCCCCCOc1ccc(C2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000045227891 KK Annotated Anodyne c1cc(C2=N[C@H]3CCCC[C@@H]3N2)ccc1OCCCCCOc1ccc(C2=N[C@@H]3CCCC[C@@H]3N2)cc1 ZINC000045227894 KK Annotated Anodyne c1cc(C2=N[C@@H]3CCCC[C@@H]3N2)ccc1OCCCCCOc1ccc(C2=N[C@@H]3CCCC[C@H]3N2)cc1 ZINC000045227899 KK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CN5CCN(c6ccncc6)CC5)cc4)s3)nc2c1 ZINC000045227987 KK Annotated Anodyne O=C1COc2ccccc2N1C/C=C(\CN1CCC(c2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000045228992 KK Annotated Anodyne COc1ccc(CNC2Cc3ccccc3C2)cc1-c1ccc(S(=O)(=O)NCc2ccccc2)s1 ZINC000045229139 KK Annotated Anodyne N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)c3cc4ccc(Br)cc4[nH]3)CC1)C2 ZINC000045229219 KK Annotated Mild COc1cccc([C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2OC)Nc2ccc(C#N)c3ccccc23)c1 ZINC000045230445 KK Annotated Mild CCCCN(CCCC)CC[C@H](O)/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000045230704 KK Annotated Anodyne CCCCN(CCCC)CC[C@@H](O)/C(=C\c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000045230706 KK Annotated Anodyne CCN(CC)CCCN(CCCN(CC)CC)c1cc(C)nc(Nc2ccc(Br)cc2)n1 ZINC000045230952 KK Annotated Anodyne Cc1ccc(N)cc1-c1nc(NC2CC(C)(C)NC(C)(C)C2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000045231152 KK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)[C@@H]2C)n1 ZINC000045245041 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)[C@@H]2C)n1 ZINC000045245042 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@@H]2C)n1 ZINC000045245043 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)[C@@H]2C)n1 ZINC000045245044 KK Annotated Mild Cc1ccc(OCCCCN(Cc2ccc(C(=O)NO)cc2)c2ncc(-c3ccc(C)cc3)s2)cc1 ZINC000045245111 KK Annotated Anodyne Cc1ccc(NC(=O)c2c(NC(=O)[C@@H](C)c3ccc(C(=O)c4ccccc4)cc3)c(C#N)c3n2CCC3)cc1 ZINC000045245194 KK Annotated Mild Cc1ccc(NC(=O)c2c(NC(=O)[C@H](C)c3ccc(C(=O)c4ccccc4)cc3)c(C#N)c3n2CCC3)cc1 ZINC000045245195 KK Annotated Mild Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(C5CCCCC5)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045245362 KK Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccc(F)cc5)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045245473 KK Annotated Anodyne CCNc1nc(NCc2ccc(NC(=O)C3CCN(Cc4ccccc4)CC3)cc2)c2ccc(C)cc2n1 ZINC000045245712 KK Annotated Anodyne CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2C)S/C1=N\c1sc2ccc(Cl)cc2[n+]1C ZINC000045245873 KK Annotated Mild Cc1cc(C)cc(Oc2c(CSCc3cccc(C#N)c3)c(C)[nH]c(=O)c2I)c1 ZINC000045253222 KK Annotated Mild Cc1nc2sc3c(c2c2nc(Oc4ccc(Br)cc4)n(-c4ccccc4)c(=O)c12)CCCC3 ZINC000045253338 KK Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@@H](CNC(=O)Nc1ccc(F)cc1)CC3=O ZINC000045253681 KK Annotated Anodyne CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](CNC(=O)Nc1ccc(F)cc1)CC3=O ZINC000045253683 KK Annotated Anodyne CCOC(=O)c1cc([C@H](Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c2ccccc2)on1 ZINC000045254057 KK Annotated Anodyne CCOC(=O)c1cc([C@@H](Oc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)c2ccccc2)on1 ZINC000045254059 KK Annotated Anodyne NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000045254252 KK Annotated Anodyne C[C@H](NC(=O)C(C)(C)Nc1cc(C(F)(F)F)ccn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000045254606 KK Annotated Mild CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1 ZINC000045254725 KK Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@@](CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1 ZINC000045254728 KK Annotated Anodyne CC(=O)c1ccc2c3c(cc(N)c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl ZINC000045254886 KK Annotated Reactive CC(=O)c1ccc2c3c(cc(N)c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl ZINC000045254888 KK Annotated Reactive CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000045255818 KK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000045255821 KK Annotated Mild O=C(CSc1snnc1-c1ccc(Br)cc1Br)Nc1ccccc1F ZINC000045256338 KK Annotated Anodyne O=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)ncnc32)cc1)Nc1cccc(Cl)c1Cl ZINC000045256454 KK Annotated Anodyne CCCCNC(=O)NCc1ccc(CN2C(=N)NC(CC3CCCCC3)(CC3CCCCC3)C2=O)cc1 ZINC000045256941 KK Annotated Anodyne CCc1nc2c(o1)C(=O)C(Sc1ccc(CC)c(CC)c1)=C(Sc1ccc(CC)c(CC)c1)C2=O ZINC000045257838 KK Annotated Mild Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045259030 KK Annotated Anodyne CSC(Nc1c(C#N)c(SC)nn1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1)=C(C#N)C#N ZINC000045259442 KK Annotated Reactive Cc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc45)cc3)CC2)cc1 ZINC000045259514 KK Annotated Anodyne CC1=CC(C)(C)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OCc3ccc(C(F)(F)F)cc3)cc21 ZINC000045260089 KK Annotated Clean O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@H](c2ccc(OC(F)(F)F)cc2)C1 ZINC000045261160 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[C@H]1C1=NO[C@@H](c2ccc(OC(F)(F)F)cc2)C1 ZINC000045261163 KK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)[C@@H]2C)n1 ZINC000045283709 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)[C@@H]2C)n1 ZINC000045283711 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(OC)cc3)N[C@@H](c3ccc(OC)cc3)[C@@H]2C)n1 ZINC000045283716 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(OC)cc3)N[C@@H](c3ccc(OC)cc3)[C@@H]2C)n1 ZINC000045283718 KK Annotated Mild OCCCC1CCN(c2c(-c3nnc(S)n3-c3ccccc3)cnc3c(C(F)(F)F)cccc23)CC1 ZINC000045283929 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3Cc3c(O)cc(O)cc31)c1cc(C)cc(O)c1C2=O ZINC000045284088 KK Annotated Anodyne COc1ccc(-c2nc(-c3ccccc3Cl)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000045286185 KK Annotated Anodyne CCC(CC)[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccnn1Cc1ccc(OC)cc1 ZINC000045286218 KK Annotated Anodyne CCC(CC)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1ccnn1Cc1ccc(OC)cc1 ZINC000045286220 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000045287099 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000045287101 KK Annotated Anodyne Sc1nnc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n1-c1ccc(Cl)cc1 ZINC000045287534 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)c1 ZINC000045288165 KK Annotated Clean COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(O)c1 ZINC000045288167 KK Annotated Clean O=C1c2ccccc2S[C@H](c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288173 KK Annotated Anodyne O=C1c2ccccc2S[C@@H](c2c[nH]c3ccccc23)N1c1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000045288175 KK Annotated Anodyne Cc1cc(C)cc(Sc2c(CSc3nccs3)c(C)[nH]c(=O)c2I)c1 ZINC000045288192 KK Annotated Clean COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2Sc2ncc(C)c(C)n2)c(OC)c1OC ZINC000045288210 KK Annotated Anodyne COc1cccc(C(=O)N(CCC[C@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(F)cc2)c1 ZINC000045288931 KK Annotated Anodyne COc1cccc(C(=O)N(CCC[C@@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(F)cc2)c1 ZINC000045288934 KK Annotated Anodyne COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2Sc2nnc(C)s2)c(OC)c1OC ZINC000045289059 KK Annotated Anodyne C[C@H](C(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000045289477 KK Annotated Mild C[C@@H](C(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000045289480 KK Annotated Mild COc1cc(-c2c(-c3ccc(O)c(O)c3)cn3c2-c2cc(OC)c(OC(C)C)cc2CC3)ccc1OC(C)C ZINC000045289514 KK Annotated Clean CC(C)=CCC/C(C)=C/[C@@H](Cc1ccc(OC(F)(F)F)cc1)NCCNC1C2CC3CC(C2)CC1C3 ZINC000045289822 KK Annotated Anodyne CC(C)=CCC/C(C)=C/[C@H](Cc1ccc(OC(F)(F)F)cc1)NCCNC1C2CC3CC(C2)CC1C3 ZINC000045289825 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)CCn1cc(-c3ccc(O)c(O)c3)c(-c3cc(OC)c(OC)c(OC)c3)c1-2 ZINC000045289966 KK Annotated Clean COc1cc2c(cc1OC(C)C)CCn1cc(-c3ccc(O)cc3)c(-c3cc(OC)c(OC)c(OC)c3)c1-2 ZINC000045290573 KK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc(CNC[C@@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045290931 KK Annotated Anodyne CC(C)(C)OC(=O)n1ccc2cc(CNC[C@](O)(Cn3cncn3)c3ccc(Cl)cc3Cl)ccc21 ZINC000045290934 KK Annotated Anodyne O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)ccc1Br ZINC000045291132 KK Annotated Clean NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccccc2Br)c1 ZINC000045291574 KK Annotated Anodyne CC(=O)c1c(C)cn(Cc2c(C)[nH]c(=O)c(I)c2Sc2cc(C)cc(C)c2)c1C ZINC000045299791 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Cl)cc1 ZINC000045299849 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Cl)cc1 ZINC000045299851 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Cl)cc1 ZINC000045299853 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Cl)cc1 ZINC000045299855 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 ZINC000045300491 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 ZINC000045300493 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 ZINC000045300495 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 ZINC000045300497 KK Annotated Reactive Cc1ccc([C@H]2[C@H](c3cccs3)[C@@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000045300872 KK Annotated Anodyne Cc1ccc([C@H]2[C@@H](c3cccs3)[C@@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000045300874 KK Annotated Anodyne CCc1c(C(=O)NC2CCC(N3CCC(c4ccccc4C)CC3)CC2)[nH]c2ccc(Br)cc12 ZINC000045301212 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)Nc1cccc(F)c1 ZINC000045301544 KK Annotated Anodyne CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(OC)cc1)C(=O)Nc1cccc(F)c1 ZINC000045301546 KK Annotated Anodyne CC(C)(C)CCN1CCN([C@@H](CNCc2ccccc2)Cc2ccc(O)cc2)C[C@@H]1Cc1ccc(O)cc1 ZINC000045301711 KK Annotated Anodyne Cc1cc([C@@H]2CCCCN2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1 ZINC000045301744 KK Annotated Anodyne Cc1cc([C@H]2CCCCN2C)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1 ZINC000045301746 KK Annotated Anodyne O=C(CCCCCNC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)N[C@H]1CCCc2ccccc21 ZINC000045302247 KK Annotated Anodyne O=C(CCCCCNC(=O)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1)N[C@@H]1CCCc2ccccc21 ZINC000045302248 KK Annotated Anodyne Cc1cc(-c2ncc[nH]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1 ZINC000045302300 KK Annotated Anodyne COc1cc(Nc2ccnc3cc(-c4nccs4)ccc23)ccc1OCCCc1nc2ccccc2[nH]1 ZINC000045302369 KK Annotated Anodyne Cn1c(NC(=O)[C@H]2CCCN(C(=O)c3ccc(O)c(-c4ccc(Cl)c(Cl)c4)c3)C2)nc2ccccc21 ZINC000045302388 KK Annotated Anodyne O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(CNCCc3ccccn3)cc2)cc1)C[C@@H]1CCCCN1 ZINC000045302481 KK Annotated Anodyne O=C(CCC1CCCC1)N(Cc1ccc(-c2ccc(CNCCc3ccccn3)cc2)cc1)C[C@H]1CCCCN1 ZINC000045302482 KK Annotated Anodyne O=[N+]([O-])c1ccc(Nc2nc(N/N=C/c3cc(Cl)cc(Cl)c3O)nc(Nc3ccccc3)n2)cc1 ZINC000045302691 KK Annotated Mild Cc1c(-c2nnc(S)n2CCc2ccccc2)c(=O)oc2ccc3c(-c4ccccc4)cc(=O)oc3c12 ZINC000045302901 KK Annotated Bother O=C1O[C@@](c2ccccc2)(c2ccccn2)CN1C1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000045302963 KK Annotated Anodyne O=C1O[C@](c2ccccc2)(c2ccccn2)CN1C1CCN(Cc2cccn2-c2ccc(Cl)cc2)CC1 ZINC000045302964 KK Annotated Anodyne CCCC[C@@H](CC)C(=O)N(CCC[C@@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccc(OC)c(OC)c1 ZINC000045302977 KK Annotated Anodyne CCCC[C@H](CC)C(=O)N(CCC[C@@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccc(OC)c(OC)c1 ZINC000045302978 KK Annotated Anodyne CCCC[C@@H](CC)C(=O)N(CCC[C@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccc(OC)c(OC)c1 ZINC000045302979 KK Annotated Anodyne CCCC[C@H](CC)C(=O)N(CCC[C@H](C)Nc1cc(OC)cc2cccnc12)Cc1ccc(OC)c(OC)c1 ZINC000045302980 KK Annotated Anodyne CN(C)CCC1CCN(CCS(=O)(=O)c2cccc(Nc3ccc(-c4cccc(F)c4)cn3)c2)CC1 ZINC000045303104 KK Annotated Anodyne COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)-c1nc(N)sc1-c1cccc(c1)O2 ZINC000045315619 KK Annotated Anodyne Cn1nccc1C(=O)NCCNCc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000045317801 KK Annotated Anodyne Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3F)c3n(c2=O)CCCC3)CC1 ZINC000045318168 KK Annotated Anodyne COc1cc(N2C(N)=C(C#N)[C@@H](c3c(O)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045318606 KK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3c(O)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000045318610 KK Annotated Reactive COc1cc2c(cc1OC)-c1c(-c3cc(OC)c(OC)c(OC)c3)c(-c3cc(F)ccc3OC)cn1CC2 ZINC000045319042 KK Annotated Anodyne CN(Cc1ccc(-c2ccccc2S(C)(=O)=O)cc1)C(=O)[C@@H]1CCC[C@H]1C1=NO[C@@](C)(c2ccccc2)C1 ZINC000045319075 KK Annotated Anodyne CN(Cc1ccc(-c2ccccc2S(C)(=O)=O)cc1)C(=O)[C@@H]1CCC[C@H]1C1=NO[C@](C)(c2ccccc2)C1 ZINC000045319081 KK Annotated Anodyne COc1ccc(C(=O)N(CCC[C@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccccc2OC)cc1 ZINC000045319210 KK Annotated Anodyne COc1ccc(C(=O)N(CCC[C@@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccccc2OC)cc1 ZINC000045319214 KK Annotated Anodyne Oc1ccc(CCCNc2nc(NCc3ccccc3-c3ccccc3)nc(NC3CCNCC3)n2)cc1 ZINC000045319225 KK Annotated Anodyne CCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 ZINC000045320343 KK Annotated Anodyne CCC[C@H]1CN(Cc2ccc(CN3C(=N)N[C@@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1 ZINC000045320347 KK Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc(N(C)C)nc2c1 ZINC000045320769 KK Annotated Anodyne NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccc3[nH]c4ccccc4c3c2)c1 ZINC000045321197 KK Annotated Anodyne Cc1cc(C)cc(Oc2c(Cn3cncc3-c3ccccc3)c(C)[nH]c(=O)c2I)c1 ZINC000045321295 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)CCC2CCCC2)c2ncccc2c1 ZINC000045321525 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)CCC2CCCC2)c2ncccc2c1 ZINC000045321529 KK Annotated Anodyne CCCN(CCC)CCCN(CCCN(CCC)CCC)c1cc(C)nc(Nc2ccc(Cl)cc2)n1 ZINC000045321709 KK Annotated Anodyne COc1ccc([C@]23Oc4cc(OC)cc(OC)c4[C@@]2(O)C2(C[C@H]3c3ccccc3)SCCCS2)cc1 ZINC000045321957 KK Annotated Anodyne CS(=O)(=O)NCCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045324153 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cscn3)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000045324695 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(-c3cscn3)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000045324698 KK Annotated Anodyne CS(=O)(=O)NCCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045324852 KK Annotated Anodyne C[C@@H](/N=C(/Nc1ccc(-c2ccccc2)cc1)Nc1ccc(C#N)cc1O)c1ccc(Br)cc1 ZINC000045324863 KK Annotated Mild CC1(C)Cc2c([nH]c3ccccc23)C(CCCCCCCCC2=NC(C)(C)Cc3c2[nH]c2ccccc32)=N1 ZINC000045324866 KK Annotated Anodyne Cc1cccc(NC(=O)CSc2snnc2-c2ccc(Br)cc2Br)c1C ZINC000045325030 KK Annotated Anodyne C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)OC)c(CCC(=O)O)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000045329780 KK Annotated Bother Cc1[nH]c2cc(Cl)ccc2c1C1=CCN(CCN2CCOc3c(Br)cccc3C2=O)CC1 ZINC000045335034 KK Annotated Anodyne CS(=O)(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045335519 KK Annotated Anodyne NC(=O)c1c(-c2ccc(NCc3cc(Cl)ccc3Cl)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N ZINC000045335526 KK Annotated Anodyne Cc1ccc(CSCOC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)OCSCc2ccc(C)cc2)cc1 ZINC000045336599 KK Annotated Mild CC(C)(C)CCN1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000045336855 KK Annotated Anodyne Cc1ccc(-c2[nH]c(C(C)(C)C)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc1 ZINC000045337222 KK Annotated Anodyne CCNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCNC(=O)OC)c2cccc(Cl)c2)C1 ZINC000045338006 KK Annotated Anodyne O=C(NCC1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1)c1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000045338334 KK Annotated Bother O=C(NCC1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1)c1ccc(O)c(-c2cccc([N+](=O)[O-])c2)c1 ZINC000045338337 KK Annotated Bother COc1cccc(CCc2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2C[C@@H]2CNCCO2)c1 ZINC000045338627 KK Annotated Anodyne COc1cccc(CCc2nc3c(N4CCC(Cc5ccccc5)CC4)cccc3n2C[C@H]2CNCCO2)c1 ZINC000045338629 KK Annotated Anodyne N#Cc1ccc(C(=O)NCC[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)cc1 ZINC000045338772 KK Annotated Mild Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N(C)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000045339115 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NCc3ccccc3)c(C)c(C)c2O1 ZINC000045339177 KK Annotated Anodyne Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCC=C[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045339201 KK Annotated Mild Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCC=C[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045339203 KK Annotated Mild Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCN[C@@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045339434 KK Annotated Mild Cc1cc(F)ccc1[C@H]1CNCCN1C(=O)N1CCCN[C@H]1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000045339436 KK Annotated Mild Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl ZINC000045340365 KK Annotated Reactive COc1ccc(-c2cc(-c3ccccc3)nc3ncn4c(=O)c5cc(Br)ccc5nc4c23)cc1 ZINC000045340371 KK Annotated Bother Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(N[C@@H](C)CNc2cnc3cc(Cl)ccc3c2)n1 ZINC000045348445 KK Annotated Anodyne Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(N[C@H](C)CNc2cnc3cc(Cl)ccc3c2)n1 ZINC000045348448 KK Annotated Anodyne Cc1ccnc(NCc2sccc2-c2ccc(C[C@H](NC(=O)c3c(C)cc(C)cc3C)C(=O)O)cc2)c1 ZINC000045350340 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000045350743 KK Annotated Mild Cc1ccc2nc(/N=C3\C(=O)N(CN(c4ccccc4)c4ccccc4)c4cccc(Cl)c43)sc2c1 ZINC000045353715 KK Annotated Mild Cc1ccccc1Nc1nc(NCCNc2cnc3cc(Cl)ccc3c2)nc(Nc2ccccc2C)n1 ZINC000045354551 KK Annotated Anodyne CC(C)CC[C@H](c1cnc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045355164 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000045355473 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000045355477 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)Nc3ccccc3)c(C)c(C)c2O1 ZINC000045355865 KK Annotated Anodyne Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl ZINC000045356251 KK Annotated Reactive COc1cccc(COc2cc3c(c(C)c2C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC3)c1 ZINC000045356728 KK Annotated Anodyne CCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045357013 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000045357374 KK Annotated Bother Cc1ccc(-c2csc3ncn4c(=O)c5cc(Br)cc(Br)c5nc4c23)cc1 ZINC000045357649 KK Annotated Bother CC(C)CC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045358542 KK Annotated Anodyne Cc1cc2nc(N3CCCC[C@@H]3CO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045358763 KK Annotated Anodyne Cc1cc2nc(N3CCCC[C@H]3CO)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045358765 KK Annotated Anodyne COc1cc(OC)cc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000045364018 KK Annotated Anodyne Fc1c(COC[C@H](Cc2c[nH]cn2)Nc2nccc(-c3ccc4ccccc4c3)n2)cccc1C(F)(F)F ZINC000045364197 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O ZINC000045365107 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O ZINC000045365110 KK Annotated Anodyne CC(C)C[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045365614 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](CC2CCC2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000045365617 KK Annotated Anodyne CCCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045366097 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2c1 ZINC000045366708 KK Annotated Bother COc1cc(OC)c2c(c1)N(CC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c1cccc(OC)c1N2 ZINC000045366847 KK Annotated Anodyne COc1cc(OC)c2c(c1)N(CC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c1cccc(OC)c1N2 ZINC000045366850 KK Annotated Anodyne COc1cc(OC)c2c(c1)N(CC[C@@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c1cccc(OC)c1N2 ZINC000045366853 KK Annotated Anodyne COc1cc(OC)c2c(c1)N(CC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c1cccc(OC)c1N2 ZINC000045366856 KK Annotated Anodyne COC[C@@H]1CCCN1c1nc2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000045367331 KK Annotated Anodyne CC(C)CC[C@H](c1ncc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045367555 KK Annotated Anodyne c1cc2c([n+](CCCc3ccc(-c4ccc(CCC[n+]5cccc6c5CCCC6)cc4)cc3)c1)CCCC2 ZINC000045367769 KK Annotated Anodyne O=c1[nH]c2cccc(Oc3cccc(NS(=O)(=O)c4cc(C(F)(F)F)cc(Cl)c4F)c3)c2[nH]1 ZINC000045368074 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccc(F)cc3)nc3ccccn23)CC1 ZINC000045368294 KK Annotated Anodyne CC[C@@H]1[C@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@@H]1C ZINC000045368782 KK Annotated Anodyne CC[C@H]1[C@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@@H]1C ZINC000045368786 KK Annotated Anodyne CC[C@@H]1[C@@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@@H]1C ZINC000045368790 KK Annotated Anodyne CC[C@H]1[C@@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[C@@H]1C ZINC000045368793 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C34CC5CC(CC(C5)C3)C4)nc2c1 ZINC000045369113 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2ccccc2F)c2ncccc2c1 ZINC000045370306 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2ccccc2F)c2ncccc2c1 ZINC000045370311 KK Annotated Anodyne CC(C)CC[C@H](c1ccc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045370382 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)c(OC)c1 ZINC000045370851 KK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2OC(=O)c2cccc(C(F)(F)F)c2)nc2ccccn12 ZINC000045370870 KK Annotated Anodyne O=C1OCc2c1cc1ccc3c(c1c2-c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCO3 ZINC000045371065 KK Annotated Anodyne CCCCCc1ccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045371133 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C)c2ncccc2c1 ZINC000045371174 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C)c2ncccc2c1 ZINC000045371179 KK Annotated Anodyne O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cc(Br)cc(Br)c1O ZINC000045371184 KK Annotated Clean Cc1ccn(CC(=O)N2CCOc3c(cc(-c4csc5ccccc45)cc3OCCc3ccccn3)C2)n1 ZINC000045372353 KK Annotated Anodyne COc1cccc(COc2c(C)c(C)c3c(c2C)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)c1 ZINC000045372437 KK Annotated Anodyne CCCCOc1ccc(C(=O)Oc2ccccc2-c2nc3cc(C)ccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000045373006 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(F)cc2)c2ncccc2c1 ZINC000045373107 KK Annotated Clean COc1cc(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(F)cc2)c2ncccc2c1 ZINC000045373111 KK Annotated Clean CC(C)CC[C@H](c1cnc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045374180 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000045374378 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000045374382 KK Annotated Anodyne COc1cc(CN(CC[C@H](c2ccccc2)c2c(O)ccc3ccccc23)Cc2ccccc2)cc(OC)c1 ZINC000045375292 KK Annotated Anodyne Cc1cc2nc(N3CCCC[C@@H]3CN(C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384717 KK Annotated Anodyne Cc1cc2nc(N3CCCC[C@H]3CN(C)C)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045384722 KK Annotated Anodyne O=C(O)c1ccc(C(=O)N(Cc2cccc(Oc3ccccc3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O ZINC000045384964 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)Nc3ccccc3)c(C)c(C)c2O1 ZINC000045385765 KK Annotated Anodyne Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(-c3ccccc3)[nH]2)c2ccc(C3CCCCC3)cc2)o1 ZINC000045387895 KK Annotated Anodyne Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(-c3ccccc3)[nH]2)c2ccc(C3CCCCC3)cc2)o1 ZINC000045387899 KK Annotated Anodyne O=C1S/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N1Cc1cccc(Br)c1 ZINC000045388554 KK Annotated Anodyne CC(C)CC[C@H](c1ccnc(C(F)(F)F)n1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045388833 KK Annotated Anodyne c1cc(-c2ccc(CCC[n+]3ccc4c(c3)CCCC4)cc2)ccc1CCC[n+]1ccc2c(c1)CCCC2 ZINC000045389903 KK Annotated Anodyne O=S(=O)(NC1CCCCC1)[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1 ZINC000045390067 KK Annotated Anodyne COc1cccc([C@@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@H](O)C(F)(F)F)c1 ZINC000045390269 KK Annotated Anodyne COc1cccc([C@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@H](O)C(F)(F)F)c1 ZINC000045390273 KK Annotated Anodyne COCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045390335 KK Annotated Anodyne COc1ccc(-c2csc(-c3ccc(C)nc3)n2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)oc12 ZINC000045391480 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc(OC)c1OC ZINC000045392068 KK Annotated Mild CC(C)CC[C@H](c1ccc(C(F)(F)F)nn1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045392130 KK Annotated Anodyne O=C1OCc2cc3ccc4c(c3c(-c3ccc(OCc5ccccc5)c(OCc5ccccc5)c3)c21)OCO4 ZINC000045392553 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000045484725 KK Annotated Anodyne CCOP(=O)(CCCN1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000045484828 KK Annotated Mild CCOP(=O)(CN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000045495575 KK Annotated Mild CCOP(=O)(CN1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000045495769 KK Annotated Mild C=C(C)[C@@H](O)Cc1ccc(-c2oc3c(CC=C(C)C)c(O)c4c(c3c(=O)c2O)OC(C)(C)CC4)cc1O ZINC000045495808 KK Annotated Mild in-vitro O=C(Cc1ccccc1)N(CCCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000045496488 KK Annotated Anodyne Cc1ccc(N(C(=O)c2cccc(Cl)c2Cl)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000045496499 KK Annotated Anodyne O=C(Cc1ccccc1)N(CCNCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000045496563 KK Annotated Anodyne N/C(=N\c1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@H]1Cc3ccccc3N21 ZINC000045496867 KK Annotated Mild N/C(=N\c1ccccc1)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@@H]1Cc3ccccc3N21 ZINC000045496869 KK Annotated Mild COc1ccc(/C=C/c2c3c(cc[n+]2Cc2ccccc2)c2ccccc2n3CCCc2ccccc2)cc1 ZINC000045497182 KK Annotated Anodyne C=C(C)[C@@H](O)Cc1ccc(-c2oc3c4c(c(CC=C(C)C)c(O)c3c(=O)c2O)OC(C)(C)CC4)cc1O ZINC000045497512 KK Annotated Mild in-vitro CCCNC(=O)Nc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2C)o1 ZINC000045497571 KK Annotated Anodyne CCOP(=O)(CCN1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000045498321 KK Annotated Mild CC(C)CN(C(=O)OC(C)(C)C)c1cc(CCc2cccc3ccccc23)nc(NCc2ccccc2)n1 ZINC000045506288 KK Annotated Anodyne Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(CN(C)c5ccccc5)ccc4n3CC(C)(C)O)s2)o1 ZINC000045506303 KK Annotated Anodyne Cc1ncc(-c2ccc(C(=O)Nc3nc4cc(CNc5ccccc5)ccc4n3CC(C)(C)O)s2)o1 ZINC000045506306 KK Annotated Anodyne CC1(C)OC[C@H]([C@H]2O[P@@](=O)(c3ccccc3)[C@H](Nc3ccc4ccccc4c3)[C@H]3OC(C)(C)O[C@H]32)O1 ZINC000470501760 KK Annotated Anodyne C[C@@H]1CCC(=NOC(=O)COc2ccc(Br)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000472780896 KK Annotated Mild C[C@H]1CCC(=NOC(=O)COc2ccc(Br)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000472780966 KK Annotated Mild O=C1CCCCCCCCCCC(=NOC(=O)COc2ccc(Br)cc2Cl)CCCO1 ZINC000472802918 KK Annotated Mild CC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473081236 KK Annotated Anodyne CC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473081237 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(O[C@H]3C[C@@H]4C[C@@H]4C3)c2)n(C(C)C)n1 ZINC000473081240 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OC3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473081241 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OC3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)n1 ZINC000473081242 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cccc(OC)c2O1 ZINC000473081248 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cccc(OC)c2O1 ZINC000473081249 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473081250 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473081251 KK Annotated Anodyne CCCCCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(C)=O)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473081300 KK Annotated Mild CCCCCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(C)=O)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473081301 KK Annotated Mild COc1ccc(-n2ncc3c2CCc2cc(S(=O)(=O)c4ccccc4)c(OCc4ccccc4)nc2-3)cc1 ZINC000473081305 KK Annotated Anodyne Cc1[nH]c2ccc(Br)cc2c1CCN(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000473081477 KK Annotated Anodyne CC(C)C(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473081579 KK Annotated Anodyne CC(C)C(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473081586 KK Annotated Anodyne CC(C)C(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473081590 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n(C(C)C)n1 ZINC000473081683 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(Br)cc3)N(CCCl)CCCl)cc(O)c21 ZINC000473081758 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(Br)cc3)N(CCCl)CCCl)cc(O)c21 ZINC000473081759 KK Annotated Reactive O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 ZINC000473081785 KK Annotated Anodyne O=C(CCCCCC(=O)N1CCC[C@H]1c1ccco1)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1 ZINC000473081786 KK Annotated Anodyne CC(=O)C1=NN(c2ccc(C)cc2)/C(=C2\S/C(=N/c3nc(-c4c(C)n(C)n(-c5ccccc5)c4=O)cs3)N(c3ccccc3)C2=O)S1 ZINC000473081788 KK Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3cccs3)[C@H]3[C@@H](OC(=O)c4cccs4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473081802 KK Annotated Mild CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OCC(C)C)c2)n(C(C)C)n1 ZINC000473082050 KK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccc(N(C)C)cc3)[C@H]3[C@@H](OC(=O)c4ccc(N(C)C)cc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473082054 KK Annotated Mild CCOC(=O)C1=C(C)N(c2ccccc2)/C(=C2\S/C(=N/c3nc(-c4c(C)n(C)n(-c5ccccc5)c4=O)cs3)N(c3ccccc3)C2=O)S1 ZINC000473082131 KK Annotated Mild CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc([N+](=O)[O-])ccc2O1 ZINC000473082150 KK Annotated Bother CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc([N+](=O)[O-])ccc2O1 ZINC000473082152 KK Annotated Bother CC(=O)C1=NN(c2ccc(Cl)cc2)/C(=C2\S/C(=N/c3nc(-c4c(C)n(C)n(-c5ccccc5)c4=O)cs3)N(c3ccccc3)C2=O)S1 ZINC000473082181 KK Annotated Mild CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)N(Cc4ccccc4)Cc4ccccc4)O3)O2)O1 ZINC000473082280 KK Annotated Anodyne CCCN(CCC)C(=O)[C@@H](C)[C@H](OC)[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](CC)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C ZINC000473082415 KK Annotated Anodyne CC(C)n1[nH]c(=NC(=O)C2CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473082477 KK Annotated Anodyne CC(C)n1[nH]c(=NC(=O)C2CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473082478 KK Annotated Anodyne CC(C)n1[nH]c(=NC(=O)C2CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473082479 KK Annotated Anodyne CN1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)c2)[C@@H](c2ccccc2)C1 ZINC000473082482 KK Annotated Anodyne CN1CCN(C(=O)CCCCCC(=O)Nc2cccc(Nc3nccc(=Nc4cc(C5CC5)[nH]n4)[nH]3)c2)[C@H](c2ccccc2)C1 ZINC000473082483 KK Annotated Anodyne COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCC(Cl)Cl ZINC000473082508 KK Annotated Reactive COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@@H](Cl)CCCCCC(Cl)Cl ZINC000473082509 KK Annotated Reactive Cc1c(-c2csc(/N=C3/S/C(=C4/SCC(=O)N4c4ccccc4)C(=O)N3c3ccccc3)n2)c(=O)n(-c2ccccc2)n1C ZINC000473082632 KK Annotated Mild CCN(CC)C(=O)[C@@H](C)[C@H](OC)[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](CC)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)O2)C[C@H](O)[C@H]1C ZINC000473082638 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2ccccc2O1 ZINC000473082730 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2ccccc2O1 ZINC000473082734 KK Annotated Anodyne CC(C)n1[nH]c(=NC(=O)OC2(C)CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@H]3C2)c1 ZINC000473082846 KK Annotated Anodyne CC(C)n1[nH]c(=NC(=O)OC2(C)CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@@H]3C[C@H]3C2)c1 ZINC000473082866 KK Annotated Anodyne CC(C)n1[nH]c(=NC(=O)OC2(C)CC2)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(N2C[C@H]3C[C@@H]3C2)c1 ZINC000473082868 KK Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCN3CCC(O)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473082883 KK Annotated Anodyne Cc1ccccc1-c1nc2ncccn2c1CN1CCN(Cc2c(-c3ccccc3C)nc3ncccn23)CC1 ZINC000473082935 KK Annotated Anodyne O=c1c(S(=O)(=O)c2ccccc2)cc2c(n1Cc1ccccc1)-c1cnn(-c3ccc(Cl)cc3)c1CC2 ZINC000473082955 KK Annotated Anodyne C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 ZINC000473083000 KK Annotated Mild CC(C)OC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 ZINC000473083005 KK Annotated Reactive C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)C34CC5CC(CC(C5)C3)C4)[C@H]3[C@@H](OC(=O)C45CC6CC(CC(C6)C4)C5)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473083052 KK Annotated Mild COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)c3ccccc3Nc3cccc(Cl)c3C)c(OC)c2)ccc1O ZINC000473083118 KK Annotated Mild CC[C@@](C)(OCc1ccccc1)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O ZINC000473083124 KK Annotated Clean CC[C@](C)(OCc1ccccc1)c1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O ZINC000473083133 KK Annotated Clean COc1ccccc1C(=O)OC[C@]1(C)CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)c4ccccc4OC)[C@@H]3[C@H]1O)C2(C)C ZINC000473083238 KK Annotated Mild Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473083252 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473083258 KK Annotated Clean COC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@H](c2ccc(Cl)cc2)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000473083291 KK Annotated Anodyne COc1ccc(-c2csc(/N=C/c3cc(/C=C/C(=O)c4ccc(C)cc4)cc(C(C)(C)C)c3O)n2)cc1 ZINC000473083311 KK Annotated Mild COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](n4cc(-c5ccc(F)cc5)nn4)C(=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O ZINC000473083315 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083430 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083431 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083438 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473083440 KK Annotated Clean CC(=O)Nc1cc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473083498 KK Annotated Anodyne CC(=O)Nc1cc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)n1 ZINC000473083517 KK Annotated Anodyne CC(=O)Nc1cc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473083521 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1ccc(I)cc1 ZINC000473083628 KK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)[C@H]3[C@@H](OC(=O)c4ccc(-c5ccccc5)cc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473083642 KK Annotated Mild CCOc1cccc2c1OC(NC)=C([N+](=O)[O-])[C@@H]2c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 ZINC000473083650 KK Annotated Anodyne CCOc1cccc2c1OC(NC)=C([N+](=O)[O-])[C@H]2c1ccc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 ZINC000473083654 KK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]3[C@@H](OC(=O)c4ccc5ccccc5c4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473083697 KK Annotated Mild O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(Cl)cc3)N(CCCl)CCCl)cc(O)c21 ZINC000473083710 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(Cl)cc3)N(CCCl)CCCl)cc(O)c21 ZINC000473083719 KK Annotated Reactive CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)cc1OC)OCC3 ZINC000473083950 KK Annotated Mild CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)cc1OC)OCC3 ZINC000473083952 KK Annotated Mild Clc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Cl)cc4Cl)nc4ncccn34)CC2)c(Cl)c1 ZINC000473083982 KK Annotated Anodyne COc1ccc(N2N=C(C(C)=O)S/C2=C2/S/C(=N/c3nc(-c4c(C)n(C)n(-c5ccccc5)c4=O)cs3)N(c3ccccc3)C2=O)cc1 ZINC000473084038 KK Annotated Mild C/C(=N/CCc1ccc(F)cc1)Nc1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 ZINC000473084045 KK Annotated Mild Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473084060 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473084063 KK Annotated Clean COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCCN3CCC(O)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473084066 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C2CCC2)n1 ZINC000473084098 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C2CCC2)n1 ZINC000473084109 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C2CCC2)n1 ZINC000473084111 KK Annotated Anodyne COc1cc(CN(CCc2c(C)[nH]c3ccc(Br)cc23)Cc2cc(OC)c3c(c2)OCO3)cc2c1OCO2 ZINC000473084159 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473084198 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473084209 KK Annotated Clean Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5[C@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)cn1 ZINC000473084214 KK Annotated Mild Cc1cn(-c2ccc(-c3cn([C@H]4CCc5c(F)cccc5[C@@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)cn1 ZINC000473084224 KK Annotated Mild Cc1cn(-c2ccc(-c3cn([C@@H]4CCc5c(F)cccc5[C@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)cn1 ZINC000473084226 KK Annotated Mild Cc1cn(-c2ccc(-c3cn([C@@H]4CCc5c(F)cccc5[C@@H](CC(F)(F)F)C4=O)nn3)cc2OC(F)(F)F)cn1 ZINC000473084228 KK Annotated Mild CCCCCCCCCCCCN(CCCCCCCCCCCC)S(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O ZINC000473084265 KK Annotated Mild C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@H]3[C@@H](OC(=O)c4ccc(C(F)(F)F)cc4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473084523 KK Annotated Mild CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2ccccc2O1 ZINC000473084540 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2ccccc2O1 ZINC000473084543 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Br)cc(Br)c2O1 ZINC000473084546 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Br)cc(Br)c2O1 ZINC000473084548 KK Annotated Anodyne CCC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473084744 KK Annotated Anodyne CCC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473084745 KK Annotated Anodyne CCC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473084746 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000473084968 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Cl)cc(Cl)c2O1 ZINC000473084996 KK Annotated Anodyne C/C1=C\[C@@H]2[C@H](CC[C@]3(CO3)[C@H](OC(=O)c3cccc(C)c3)[C@H]3[C@@H](OC(=O)c4cccc(C)c4)[C@@H](C)C[C@]3(O)C1=O)C2(C)C ZINC000473085018 KK Annotated Mild C[C@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1)c1ccco1 ZINC000473085088 KK Annotated Anodyne C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(=Nc3cc(C4CC4)[nH]n3)[nH]2)c1)c1ccco1 ZINC000473085092 KK Annotated Anodyne COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085172 KK Annotated Anodyne COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@@H]3N(C)C[C@@H]2c1ccccc1)OCO4 ZINC000473085182 KK Annotated Anodyne COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473085185 KK Annotated Anodyne COc1cc2c3c(c1OCc1ccc(Br)cc1)-c1cc4c(cc1C[C@@H]3N(C)C[C@H]2c1ccccc1)OCO4 ZINC000473085186 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085276 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085277 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2c(C=O)c(C)cc(Cl)c2O1 ZINC000473085467 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2c(C=O)c(C)cc(Cl)c2O1 ZINC000473085476 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(OC)ccc2O1 ZINC000473085553 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(OC)ccc2O1 ZINC000473085554 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085561 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Br)ccc2O1 ZINC000473085562 KK Annotated Anodyne CO[C@@H]1[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2[C@H]2O[C@@]2(COC(=O)c2ccc(C(F)(F)F)cc2)CC[C@H]2[C@@H]1C2(C)C ZINC000473085575 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473085577 KK Annotated Anodyne CNC1=C([N+](=O)[O-])[C@@H](c2ccc(N3CCN(c4ccnc5cc(Cl)ccc45)CC3)cc2)c2cc(Cl)ccc2O1 ZINC000473085578 KK Annotated Anodyne CC(=O)C1=NN(c2ccccc2)/C(=C2\S/C(=N/c3nc(-c4c(C)n(C)n(-c5ccccc5)c4=O)cs3)N(c3ccccc3)C2=O)S1 ZINC000473085805 KK Annotated Mild CC(C)OC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473085812 KK Annotated Anodyne CC(C)OC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473085834 KK Annotated Anodyne CC(C)OC(=O)N=c1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)[nH]1 ZINC000473085836 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC#N)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473085967 KK Annotated Mild COc1cccc(C(=O)O[C@H]2[C@@H](C)C[C@]3(O)C(=O)/C(C)=C/[C@@H]4[C@H](CC[C@]5(CO5)[C@H](OC(=O)c5cccc(OC)c5)[C@@H]23)C4(C)C)c1 ZINC000473085977 KK Annotated Mild CCOC(=O)Cn1cc(COC2=C[C@@]3(C)C(=CC2=O)C=C[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2C[C@@H]2O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]23)nn1 ZINC000473086050 KK Annotated Mild COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCN3CCCCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473086084 KK Annotated Anodyne O=C(Nc1ccc(I)cc1)Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000473086102 KK Annotated Bother CC(=O)Nc1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473086141 KK Annotated Anodyne CCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2N=[N+]=[N-])cc1 ZINC000473086374 KK Annotated Clean CCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2N=[N+]=[N-])cc1 ZINC000473086377 KK Annotated Clean CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C2CCCC2)n1 ZINC000473086379 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C2CCCC2)n1 ZINC000473086380 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C2CCCC2)n1 ZINC000473086381 KK Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCN3CCC(O)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473086410 KK Annotated Anodyne O=C(CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23)OCc1ccc(N(CCCl)CCCl)cc1 ZINC000473086418 KK Annotated Reactive O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccc(O)cc4)[C@H]2O3)cc1 ZINC000473086650 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccc(O)cc4)[C@H]2O3)cc1 ZINC000473086651 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(-c7ccccc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473086687 KK Annotated Mild CCCC[C@H]1OC(=O)c2cc(NC(=O)N3C(=O)C(c4ccc(OC)c(OC)c4)=C(c4ccc(OC)c(OC)c4)C3=O)ccc21 ZINC000473086704 KK Annotated Anodyne CCCC[C@@H]1OC(=O)c2cc(NC(=O)N3C(=O)C(c4ccc(OC)c(OC)c4)=C(c4ccc(OC)c(OC)c4)C3=O)ccc21 ZINC000473086705 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccc(F)cc4)[C@H]2O3)cc1 ZINC000473086787 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccc(F)cc4)[C@H]2O3)cc1 ZINC000473086790 KK Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCCN3CCCCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473086862 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1O ZINC000473086911 KK Annotated Clean CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)C[C@]4(CC)OCCc5c4[nH]c4c(CC)cccc54)c(OC)c2)cc1OC)OCC3 ZINC000473086923 KK Annotated Mild CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)C[C@@]4(CC)OCCc5c4[nH]c4c(CC)cccc54)c(OC)c2)cc1OC)OCC3 ZINC000473086925 KK Annotated Mild CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)Oc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)C[C@@]4(CC)OCCc5c4[nH]c4c(CC)cccc54)c(OC)c2)cc1OC)OCC3 ZINC000473086927 KK Annotated Mild O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccccc4O)[C@H]2O3)cc1 ZINC000473086946 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccccc4O)[C@H]2O3)cc1 ZINC000473086947 KK Annotated Anodyne C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 ZINC000473086983 KK Annotated Mild CCCCOC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 ZINC000473086996 KK Annotated Reactive COc1ccc(C(=O)Cn2cc(COC3=C[C@@]4(C)C(=CC3=O)C=C[C@@H]3[C@@H]4CC[C@@]4(C)[C@H]3C[C@@H]3O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]34)nn2)cc1 ZINC000473087352 KK Annotated Mild CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000473087446 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(Cc7ccccc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473087466 KK Annotated Mild CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@H](c2ccccc2)N(c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000473087546 KK Annotated Anodyne Cc1cccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473087569 KK Annotated Anodyne Cc1cccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473087579 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473087590 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473087591 KK Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCN3CCN(C)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473087601 KK Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCN3CCOCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473087666 KK Annotated Anodyne COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](n4cc(-c5ccccn5)nn4)C(=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O ZINC000473087899 KK Annotated Anodyne O=C(Nc1ccc(I)cc1)Nc1nc(-c2cc3cc(Br)ccc3o2)cs1 ZINC000473087902 KK Annotated Anodyne COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCCN3CCOCC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473087904 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC(=O)c7cccc(Br)c7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473087925 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)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 ZINC000473087936 KK Annotated Anodyne COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H]([C@H](NC(=O)[C@H]4CCCN4C(=O)OC(C)(C)C)C(=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(C)=O)C[C@H]1C[C@H]3OC(C)=O ZINC000473087939 KK Annotated Anodyne CCCOC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 ZINC000473087990 KK Annotated Reactive COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCCN3CCN(C)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473088007 KK Annotated Anodyne CCOc1cc(F)ccc1NS(=O)(=O)c1ccc2c(c1)CN(C(=O)Nc1ccc(C(C)(C)C)cc1)C2 ZINC000473088010 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4cccc(O)c4)[C@H]2O3)cc1 ZINC000473088032 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4cccc(O)c4)[C@H]2O3)cc1 ZINC000473088033 KK Annotated Anodyne O=C(CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23)Nc1ccc(N(CCCl)CCCl)cc1 ZINC000473088039 KK Annotated Reactive COC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473088074 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473088075 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC(=O)c7ccccc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473088472 KK Annotated Mild CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(C)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000473088474 KK Annotated Clean CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(CC2CC2)n1 ZINC000473088490 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(CC2CC2)n1 ZINC000473088491 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(CC2CC2)n1 ZINC000473088497 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473088578 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2nnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473088583 KK Annotated Clean O=C(N[C@@H]1c2cc(N=C(Nc3ccc(F)cc3)C(F)(F)F)ccc2C[C@H]1O)c1ccc(Br)cc1 ZINC000473088599 KK Annotated Mild C[n+]1c(C#Cc2ccc(-c3cccc(Cl)c3)cc2)cccc1C#Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000473088669 KK Annotated Mild CCOC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 ZINC000473088674 KK Annotated Reactive COc1cc2c(O[C@@H]3OC[C@@H](OC)[C@H](OC)[C@H]3OCCCCCCCCN3CCN(CCO)CC3)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000473088693 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccc(C(F)(F)F)cc4)[C@H]2O3)cc1 ZINC000473088714 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccc(C(F)(F)F)cc4)[C@H]2O3)cc1 ZINC000473088715 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473088728 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473088729 KK Annotated Anodyne COc1ccc(-c2csc(/N=C/c3cc(/C=C/C(=O)c4cccs4)cc(C(C)(C)C)c3O)n2)cc1OC ZINC000473088990 KK Annotated Mild Clc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ncccn34)CC2)cc1 ZINC000473089017 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473089024 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2ccco2)S1 ZINC000473089029 KK Annotated Clean Brc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(Br)cc4)nc4ncccn34)CC2)cc1 ZINC000473089030 KK Annotated Anodyne COc1ccc(-c2oc3c(CC=C(C)C)c(OCCCOC(=O)CCCC(=O)O)cc(O)c3c(=O)c2OCCCOC(=O)CCCC(=O)O)cc1 ZINC000473089048 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(C)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(C)cc1 ZINC000473089059 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473089077 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473089078 KK Annotated Anodyne COc1ccc(Cn2cc(COC3=C[C@@]4(C)C(=CC3=O)C=C[C@@H]3[C@@H]4CC[C@@]4(C)[C@H]3C[C@@H]3O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]34)nn2)cc1 ZINC000473089117 KK Annotated Mild Cc1c(CNC(=O)c2ccc(C(F)(F)F)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C(F)(F)F)cc1)CCC2 ZINC000473089147 KK Annotated Anodyne O=S(=O)(c1ccc(-c2ccc3[nH]ccc(=Nc4ccc(OCc5ccccc5)c(Cl)c4)c3c2)cc1)N1CCOCC1 ZINC000473089356 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(CC(C)(C)C)n1 ZINC000473089595 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(CC(C)(C)C)n1 ZINC000473089599 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(CC(C)(C)C)n1 ZINC000473089601 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473089643 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473089652 KK Annotated Clean COc1ccc(C(=O)/C=C/c2cc(/C=N/c3nc(-c4ccc(OC)cc4)cs3)c(O)c(C(C)(C)C)c2)cc1 ZINC000473089708 KK Annotated Mild CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(Oc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)cc21 ZINC000473089742 KK Annotated Clean CC(=O)Cn1cc(COC2=C[C@@]3(C)C(=CC2=O)C=C[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2C[C@@H]2O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]23)nn1 ZINC000473089755 KK Annotated Mild CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000473089756 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC(=O)c7ccc(Br)cc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473089775 KK Annotated Mild COc1ccc(-c2oc3c(CC=C(C)C)c(OCCCOC(=O)CCC(=O)O)cc(O)c3c(=O)c2OCCCOC(=O)CCC(=O)O)cc1 ZINC000473089835 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC(=O)c7cccc(O)c7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473089903 KK Annotated Mild O=C(O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473089909 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1cccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473089910 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)OC[C@@](C)(O)[C@@H](O)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=O ZINC000473089918 KK Annotated Mild CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OCF)cc1 ZINC000473089923 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OCF)cc1 ZINC000473089924 KK Annotated Anodyne CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000473090026 KK Annotated Anodyne Cc1ccc(-c2nc3ncccn3c2CN2CCN(Cc3c(-c4ccc(C)cc4)nc4ncccn34)CC2)cc1 ZINC000473090035 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(C)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 ZINC000473090054 KK Annotated Clean c1ccc2cc(-c3nc4ncccn4c3CN3CCN(Cc4c(-c5ccc6ccccc6c5)nc5ncccn45)CC3)ccc2c1 ZINC000473090060 KK Annotated Anodyne Cc1ccccc1OS(=O)(=O)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1 ZINC000473090238 KK Annotated Anodyne Cc1ccccc1OS(=O)(=O)[C@H]1C[C@H]2O[C@H]1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1 ZINC000473090240 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(CC(=O)c7ccc(O)cc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473090251 KK Annotated Mild COc1ccc(-c2csc(/N=C/c3cc(/C=C/C(=O)c4ccc(C)cc4)cc(C(C)(C)C)c3O)n2)cc1OC ZINC000473090565 KK Annotated Mild COC(=O)C1=C(Nc2ccc(C)cc2)C[C@@H](c2ccc(C)cc2)N(c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000473090696 KK Annotated Anodyne CCCCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000473090709 KK Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)ccc1C(F)(F)F ZINC000473090787 KK Annotated Bother COc1cccc(-c2ccc(C#Cc3cccc(C#Cc4ccc(-c5cccc(OC)c5)cc4)[n+]3C)cc2)c1 ZINC000473090807 KK Annotated Mild COc1ccc2c(c1)c1cn(C)ccc-1[n+]2CCCCCCCCC[n+]1c2ccn(C)cc-2c2cc(OC)ccc21 ZINC000473090810 KK Annotated Anodyne OCCn1ccc2[n+](CCCCCCCCC[n+]3c4ccn(CCO)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473090874 KK Annotated Anodyne CCn1ccc2[n+](CCCCCCCCC[n+]3c4ccn(CC)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473090947 KK Annotated Anodyne CCCCCCc1cn([C@@H]2C(=O)[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)OC)[C@H]3[C@H]2[C@@]2(C)CC[C@@H](OC(C)=O)C[C@H]2C[C@H]3OC(C)=O)nn1 ZINC000473091464 KK Annotated Anodyne Cc1ccn2c(CN3CCN(Cc4c(-c5ccccc5)nc5nc(C)ccn45)CC3)c(-c3ccccc3)nc2n1 ZINC000473091470 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473091487 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cccs2)S1 ZINC000473091488 KK Annotated Clean COc1ccccc1OS(=O)(=O)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1 ZINC000473091556 KK Annotated Anodyne COc1ccccc1OS(=O)(=O)[C@H]1C[C@H]2O[C@H]1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1 ZINC000473091558 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccc(Br)cc4)[C@H]2O3)cc1 ZINC000473091796 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccc(Br)cc4)[C@H]2O3)cc1 ZINC000473091812 KK Annotated Anodyne COc1ccc(C(=O)/C=C/c2cc(/C=N/c3nc(-c4ccc(OC)c(OC)c4)cs3)c(O)c(C(C)(C)C)c2)cc1 ZINC000473092089 KK Annotated Mild COc1cccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473093167 KK Annotated Anodyne COc1cccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)c1 ZINC000473093175 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccccc4C(F)(F)F)[C@H]2O3)cc1 ZINC000473093997 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccccc4C(F)(F)F)[C@H]2O3)cc1 ZINC000473093998 KK Annotated Anodyne Cc1c(CNC(=O)c2ccc(C3CCCCC3)cc2)c(C)[n+]2c(c1CNC(=O)c1ccc(C3CCCCC3)cc1)CCC2 ZINC000473094018 KK Annotated Anodyne Cc1cccc(C)c1OS(=O)(=O)[C@H]1C[C@H]2O[C@H]1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1 ZINC000473094061 KK Annotated Anodyne Cc1cccc(C)c1OS(=O)(=O)[C@@H]1C[C@H]2O[C@H]1C(c1ccc(NC(=O)CCCCCCC(=O)O)cc1)=C2c1ccc(O)cc1 ZINC000473094063 KK Annotated Anodyne CCCn1ccc2[n+](CCCCCCCCC[n+]3c4ccn(CCC)cc-4c4ccccc43)c3ccccc3c-2c1 ZINC000473094719 KK Annotated Anodyne COc1ccc(OS(=O)(=O)[C@@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473094832 KK Annotated Anodyne COc1ccc(OS(=O)(=O)[C@H]2C[C@H]3O[C@H]2C(c2ccc(NC(=O)CCCCCCC(=O)O)cc2)=C3c2ccc(O)cc2)cc1 ZINC000473094834 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4cccc5ccccc45)[C@H]2O3)cc1 ZINC000473095017 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4cccc5ccccc45)[C@H]2O3)cc1 ZINC000473095023 KK Annotated Anodyne Cc1ccc(C(=O)Cn2cc(COC3=C[C@@]4(C)C(=CC3=O)C=C[C@@H]3[C@@H]4CC[C@@]4(C)[C@H]3C[C@@H]3O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]34)nn2)cc1 ZINC000473095148 KK Annotated Mild C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C=CC5=CC(=O)C(OCc6cn(Cc7ccc(CN=[N+]=[N-])cc7)nn6)=C[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 ZINC000473095659 KK Annotated Mild O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccc(Cl)cc4)[C@H]2O3)cc1 ZINC000473095700 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccc(Cl)cc4)[C@H]2O3)cc1 ZINC000473095707 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(=C\Cc1cc(O)ccc1O)C(=O)O[C@@H](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)[C@](C)(O)CO ZINC000473095810 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(=C/Cc1cc(O)ccc1O)C(=O)O[C@@H](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)[C@](C)(O)CO ZINC000473095821 KK Annotated Anodyne O=S(=O)(c1ccc2c(c1)OCCO2)N(c1ccccc1)c1ccnc2ccc(-c3ccc(O)cc3)cc12 ZINC000473095850 KK Annotated Anodyne N=C(NC1CCC(O)CC1)c1ccc2cc(-c3ccc(-c4cc5ccc(C(=N)NC6CCC(O)CC6)cc5[nH]4)cc3)[nH]c2c1 ZINC000473096144 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)N2Cc3ccc(S(=O)(=O)Nc4ccc(F)cc4Cl)cc3C2)cc1 ZINC000473096771 KK Annotated Anodyne Fc1ccccc1-c1csc(N2N=C(c3cccs3)C[C@H]2c2cc3c(cc2Br)OCO3)n1 ZINC000473096806 KK Annotated Anodyne Fc1ccccc1-c1csc(N2N=C(c3cccs3)C[C@@H]2c2cc3c(cc2Br)OCO3)n1 ZINC000473096807 KK Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4c(ccc5ccccc45)N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473096812 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(ccc5ccccc45)N(CC(F)(F)F)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473096823 KK Annotated Anodyne O=C1N(Cc2ccccc2)c2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1ccccc1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473096832 KK Annotated Anodyne C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)C3=C[C@@H]12 ZINC000473096868 KK Annotated Mild CC(=O)Nc1cn(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n1 ZINC000473096884 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)ccc1OC(=O)CCCO[N+](=O)[O-] ZINC000473096934 KK Annotated Anodyne CCCCCCCCCCCC(=O)Oc1ccc(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473096997 KK Annotated Mild C[C@@H]1CC[C@H]2C(CN3CCCC[C@H]3[C@H](O)c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000473097150 KK Annotated Reactive C[C@@H]1CC[C@H]2C(CN3CCCC[C@@H]3[C@H](O)c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000473097157 KK Annotated Reactive CCC(=O)N[C@@H]1CC[C@@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(O[C@H](C)CC)cc4[C@@H]3c3ccc(Cl)cc3)cc2)CC1 ZINC000473097816 KK Annotated Anodyne CC(=O)Nc1cc(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)n(C(C)C)n1 ZINC000473097871 KK Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1Cc1cccc(Br)c1 ZINC000473097876 KK Annotated Anodyne CCOc1ccc(-c2nc(NS(=O)(=O)c3ccccc3C(F)(F)F)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473097900 KK Annotated Clean Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccc(O)cc3)N2CCc2ccccc2)cc1 ZINC000473097929 KK Annotated Anodyne Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccc(O)cc5)N4C[C@@H]3Cc3ccc(O)cc3)N2CCc2ccccc2)cc1 ZINC000473097959 KK Annotated Anodyne Cc1cc(/C=C/c2ccc(/C=C/c3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)cc2)cc(C)c1[N+](=O)[O-] ZINC000473098246 KK Annotated Bother O=C1N(Cc2ccccc2)c2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473099123 KK Annotated Anodyne CC1(C)CC[C@@H](Cc2c3c(c(O)c4c2O[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)C(=O)C[C@@H](c2ccc(O)cc2O)O3)C(C)(C)O1 ZINC000473099738 KK Annotated Anodyne CC1(C)CC[C@H](Cc2c3c(c(O)c4c2O[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)C(=O)C[C@@H](c2ccc(O)cc2O)O3)C(C)(C)O1 ZINC000473099741 KK Annotated Anodyne COc1cc(C(=O)n2c(-c3cn(C)c4ccc(Br)cc34)nc3ccccc32)cc(OC)c1OC ZINC000473100520 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]32C)nc2ccccc12 ZINC000473100621 KK Annotated Mild CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(C)C)CC3)cc1)[C@@H]2c1ccc(Cl)cc1 ZINC000473100632 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4C[C@H](OC(C)=O)[C@@]32C)nc2ccccc12 ZINC000473100638 KK Annotated Mild CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OCC3CCC3)c2)n(C(C)C)n1 ZINC000473100641 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473100655 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)n1 ZINC000473100656 KK Annotated Anodyne Cc1cc(-n2cc3c(n2)CCCC3)ccc1[C@@H](CCC(F)(F)F)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cn1 ZINC000473100683 KK Annotated Anodyne Cc1cc(-n2cc3c(n2)CCCC3)ccc1[C@H](CCC(F)(F)F)Nc1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cn1 ZINC000473101439 KK Annotated Anodyne Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 ZINC000473101769 KK Annotated Anodyne CCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473101882 KK Annotated Anodyne CCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473101885 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(OCC(F)(F)F)c2)n(C(C)C)n1 ZINC000473101897 KK Annotated Anodyne CCCCCCCCCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)CCCC)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473101989 KK Annotated Mild CCCCCCCCCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)CCCC)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473102005 KK Annotated Mild Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H](c3ccc(O)cc3)[C@@H]3c5cc(O)cc(O)c5[C@@H](c5ccc(O)cc5)[C@H]43)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000473102961 KK Annotated Anodyne Oc1ccc([C@H]2Oc3c(c(O)cc4c3[C@@H](c3ccc(O)cc3)[C@@H]3c5cc(O)cc(O)c5[C@@H](c5ccc(O)cc5)[C@H]43)[C@H]2c2cc(O)cc(O)c2)cc1 ZINC000473102962 KK Annotated Anodyne Oc1ccc([C@@H]2Oc3c(c(O)cc4c3[C@@H](c3ccc(O)cc3)[C@@H]3c5cc(O)cc(O)c5[C@@H](c5ccc(O)cc5)[C@H]43)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000473102963 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@H](S(=O)(=O)Oc4ccccc4)[C@H]2O3)cc1 ZINC000473103957 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc(C2=C(c3ccc(O)cc3)[C@H]3C[C@@H](S(=O)(=O)Oc4ccccc4)[C@H]2O3)cc1 ZINC000473103962 KK Annotated Anodyne CCOc1ccc(-c2nc(NS(=O)(=O)c3ccsc3Cl)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473104007 KK Annotated Clean CCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473104178 KK Annotated Anodyne CCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473104190 KK Annotated Anodyne Cc1cc(C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(F)cc2)NC(=O)[C@@H]3Cc2ccccc2)c1 ZINC000473104900 KK Annotated Anodyne Cc1cc(C)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(F)cc2)NC(=O)[C@H]3Cc2ccccc2)c1 ZINC000473104901 KK Annotated Anodyne CCCCCCCCCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(C)=O)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473104903 KK Annotated Mild CCCCCCCCCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(C)=O)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473104904 KK Annotated Mild CC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473104905 KK Annotated Anodyne CC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)c3ccc(C(F)(F)F)cc3)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473104906 KK Annotated Anodyne CC(C)n1nc(CC(N)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1 ZINC000473105013 KK Annotated Anodyne O=C(CCCO[N+](=O)[O-])Oc1ccc(Cl)cc1C(=O)Oc1ccc(-c2cc(=S)ss2)cc1 ZINC000473105300 KK Annotated Anodyne O=C(CCCO[N+](=O)[O-])Oc1ccc(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)cc1Cl ZINC000473105312 KK Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1Cc1ccc(Br)cc1 ZINC000473105431 KK Annotated Anodyne CC(=O)Nc1nc(C(C)C)c(-c2cnc(N(C)C(=O)c3c(F)cccc3Cl)c(N3CCCCC3)c2)s1 ZINC000473105454 KK Annotated Anodyne CCCCCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)CCCC)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473105474 KK Annotated Mild CCCCCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)CCCC)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473105490 KK Annotated Mild O=C(CCCO[N+](=O)[O-])Oc1cccc(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1Cl ZINC000473105556 KK Annotated Anodyne CCCCCCCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(=O)CCCC)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473105920 KK Annotated Mild CCCCCCCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(=O)CCCC)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473105921 KK Annotated Mild COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCOc1ccc(CNc3ccc4[nH]ccc4c3)cc1)C2 ZINC000473105955 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C(=O)CCc1cccc(Nc3c(Cl)cccc3Cl)c1)C2 ZINC000473105956 KK Annotated Anodyne COc1ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000473105976 KK Annotated Anodyne COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1Cc1cccc(Cl)c1 ZINC000473105984 KK Annotated Anodyne CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccc(Oc3no[n+]([O-])c3-c3ccccc3)cc21 ZINC000473105992 KK Annotated Clean COc1ccc(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)cc1OC(=O)CCCO[N+](=O)[O-] ZINC000473106436 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CC[C@@H]4CCCC[C@H]4N(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473106440 KK Annotated Anodyne COc1cc(-c2cn([C@@H]3CC[C@@H]4CCCC[C@H]4N(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000473106441 KK Annotated Anodyne CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3OC)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473106839 KK Annotated Clean CCCCCCCCCC(=O)Oc1ccc(CO[P@](=O)(OCc2ccc(OC(C)=O)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473106841 KK Annotated Mild CCCCCCCCCC(=O)Oc1ccc(CO[P@@](=O)(OCc2ccc(OC(C)=O)cc2)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473106842 KK Annotated Mild CCCCCCCCCC(=O)Oc1ccc(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2C=C[C@H](n3cc(C)c(O)nc3=O)O2)cc1 ZINC000473106916 KK Annotated Mild CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c(C)c3)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000473106919 KK Annotated Clean O=c1c2cc3c(cc2n(Cc2nc(-c4ccc(C(F)(F)F)cc4)no2)c(=O)n1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)OCO3 ZINC000473107469 KK Annotated Anodyne Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccccc5)N4C[C@@H]3Cc3ccccc3)N2CCc2ccccc2)cc1 ZINC000473107473 KK Annotated Anodyne CC(C)[C@H]1CN=C2C=C3N(CCc4ccccc4)[C@@H](Cc4ccc(O)cc4)CN3[C@@H](Cc3ccccc3)CN21 ZINC000473107595 KK Annotated Anodyne COc1cc([C@@H]2[C@H]3CCCN3[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@]23N=C(c2ccccc2)OC3=O)cc(OC)c1OC ZINC000473107604 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H](NC(=O)NCCCNc3cccc4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000473107741 KK Annotated Anodyne C/C1=C/C(=O)O[C@H](C(C)(C)C)C[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC1 ZINC000473107761 KK Annotated Anodyne C/C1=C/C(=O)O[C@H](C(C)(C)C)C[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC1 ZINC000473107762 KK Annotated Anodyne C/C1=C/C(=O)O[C@H](C(C)(C)C)C[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC1 ZINC000473107763 KK Annotated Anodyne C/C1=C/C(=O)O[C@H](C(C)(C)C)C[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)C[C@@H](O)CCC1 ZINC000473107764 KK Annotated Anodyne COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(C(C)(C)C)cc12 ZINC000473107770 KK Annotated Anodyne CN1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@]2(N=C(c3ccccc3)OC2=O)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000473107784 KK Annotated Anodyne CC(C)=CCc1c(C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2C(=O)OC(C)(C)C)c2ccccc2n1C(=O)OC(C)(C)C ZINC000473108050 KK Annotated Anodyne O=C1Nc2ccc(Cl)cc2[C@@]12N1CCC[C@@H]1[C@@H](c1cccc(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473108262 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000473108490 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000473108515 KK Annotated Anodyne C=C1[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)(C)C(=O)O)[C@](C)(CC(=O)O)C3=C[C@@H]12 ZINC000473108820 KK Annotated Mild CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1Cn1c(S)nc2ccc(OC(F)F)cc21 ZINC000473109147 KK Annotated Anodyne CC(C)=CCc1ccc2[nH]cc(C3=C(O)C(=O)[C@](O)(c4c[nH]c5ccc(CC=C(C)C)cc45)C(=O)C3=O)c2c1 ZINC000473109185 KK Annotated Mild CC(C)=CCc1ccc2[nH]cc(C3=C(O)C(=O)[C@@](O)(c4c[nH]c5ccc(CC=C(C)C)cc45)C(=O)C3=O)c2c1 ZINC000473109186 KK Annotated Mild CC(C)C[C@H]1CN2C(=CC3=NC[C@H](Cc4ccccc4)N3C[C@@H]2Cc2ccc(O)cc2)N1CCc1ccccc1 ZINC000473109221 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000473109392 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1COCc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C ZINC000473109492 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NCC(=O)OC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000473110107 KK Annotated Anodyne Cc1ccc(N2C(=O)[C@H](NC(=O)NCCNc3cccc4cc(Cl)ccc34)[C@@H]2/C=C/c2ccccc2)cc1 ZINC000473110112 KK Annotated Anodyne Oc1ccc(C[C@H]2CN3C(=CC4=NC[C@H](Cc5ccc(O)cc5)N4C[C@@H]3Cc3ccccc3)N2CCc2ccccc2)cc1 ZINC000473110414 KK Annotated Anodyne CCN1/C(=C/C=C/c2sc3ccc(OCCCO[N+](=O)[O-])cc3[n+]2CC)Sc2ccc(OCCCO[N+](=O)[O-])cc21 ZINC000473110968 KK Annotated Clean C=C1[C@@H]2CC3=C(CC[C@@H](C(C)(C)C(=O)O)[C@]3(C)CC(=O)O)[C@]2(C)CC[C@@H]1[C@H](C)CC/C=C(/C)C(=O)O ZINC000473111401 KK Annotated Mild CC(=O)O[C@H]1CCC[C@H](O)C[C@H](C(C)(C)C)OC(=O)/C=C(/C)CCC[C@H](O)C[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC1 ZINC000473111450 KK Annotated Anodyne CC(=O)O[C@@H]1CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C\C(=O)O[C@H](C(C)(C)C)C[C@H](O)CCC1 ZINC000473111453 KK Annotated Anodyne CC(=O)O[C@@H]1CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C\C(=O)O[C@@H](C(C)(C)C)C[C@H](O)CCC1 ZINC000473111455 KK Annotated Anodyne CC(=O)O[C@H]1CCC[C@H](O)C[C@@H](C(C)(C)C)OC(=O)/C=C(/C)CCC[C@H](O)C[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC1 ZINC000473111456 KK Annotated Anodyne O=C1Nc2ccccc2[C@@]12N1CCC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)[C@@]21N=C(c2ccccc2)OC1=O ZINC000473111474 KK Annotated Anodyne CC[N+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1 ZINC000473111495 KK Annotated Bother COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)N=C2c2ccccc2)c1 ZINC000473111510 KK Annotated Clean COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)N=C2c2ccccc2)cc1 ZINC000473111521 KK Annotated Clean CC1=C(/N=N/c2ccc(C)cc2)N=C(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)NN1 ZINC000473111613 KK Annotated Clean CC1=C(/N=N/c2ccc(C)cc2)N=C(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)NN1 ZINC000473111614 KK Annotated Clean N=c1[nH]cc(-c2cnn(CC(=O)N3CCCCC3)c2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 ZINC000473111703 KK Annotated Anodyne O=C(c1nc(-c2c[nH]c3cc(I)ccc23)c[nH]1)c1c[nH]c2cc(I)ccc12 ZINC000473111831 KK Annotated Anodyne COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4OC)cc3)N=C2c2ccccc2)cc1 ZINC000473112061 KK Annotated Clean O=C(NCCNC(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473112146 KK Annotated Anodyne COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCC/C=C/[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@]34C)[C@H](O)[C@@H]2O)O[C@H](C)[C@H]1O ZINC000473112233 KK Annotated Anodyne COc1ccc(Cl)c(C)c1C(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3CCC[C@@H]4[C@@H]3C=C[C@H]3CCCC/C=C/[C@@H]5C=C(C(=O)O)[C@H](C)C[C@]56OC(=O)C(=C6O)OC(=O)[C@]34C)[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O ZINC000473112234 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)c(C)c1C ZINC000473112320 KK Annotated Anodyne CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c3c(=O)n(c2=O)CCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c(c(=O)n(c2=O)CCCCC1)C3 ZINC000473112466 KK Annotated Bother CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c3c(=O)n(c2=O)CCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c(c(=O)n(c2=O)CCCCC1)C3 ZINC000473112479 KK Annotated Bother CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c3c(=O)n(c2=O)CCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)c(c(=O)n(c2=O)CCCCC1)C3 ZINC000473112482 KK Annotated Bother COc1cc(N[C@@H](C)CCCN=c2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473112556 KK Annotated Bother COc1cc(N[C@H](C)CCCN=c2nc(-c3ccc([N+](=O)[O-])cc3)c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473112559 KK Annotated Bother CCCC[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@H]2CN2C(=O)C(=O)NC[C@H]2Cc2ccc3ccccc3c2)C(=O)C(=O)N1CCC12CC3CC(CC(C3)C1)C2 ZINC000473112726 KK Annotated Anodyne O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2ccccc2Br)nc(Cc2ccc(F)cc2)n1 ZINC000473112736 KK Annotated Bother C[C@H]1C[C@H]([C@H](Br)C(C)(C)OCc2cn(Cc3ccccc3)nn2)O[C@@]12CC[C@]1(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]21 ZINC000473112750 KK Annotated Reactive COc1ccc([C@H](COc2ccc([C@H]3O[C@H](c4ccc(OC[C@H](OC)c5ccc(OC)c(OC)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)OC)cc1OC ZINC000473112841 KK Annotated Anodyne COc1cccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)N=C2c2ccccc2)c1 ZINC000473112898 KK Annotated Clean CC(=O)N[C@@H](CCCCn1cc2c3c1C[C@@](C)(O)[C@H]3C[C@@]1(C)CC[C@@]3(O[C@@H](C=C(C)C)C[C@@H]3C)[C@@H]1C=C2)C(=O)O ZINC000473112959 KK Annotated Anodyne Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Cl)cc1 ZINC000473112974 KK Annotated Clean Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Cl)cc1 ZINC000473112977 KK Annotated Clean O=C(O)CC1[C@H]2CC3C[C@H]1CC(Oc1ccc(C(=O)NCCNC(=O)c4ccc(-c5ccccc5)cc4)cc1)(C3)C2 ZINC000473113002 KK Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4c5c(cn(CCc6ccc(O)cc6)c5C[C@@]4(C)O)C=C[C@@H]23)O1 ZINC000473113097 KK Annotated Anodyne CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113173 KK Annotated Bother CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113178 KK Annotated Bother CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113181 KK Annotated Bother CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])Cc2ccc(cc2)C1 ZINC000473113185 KK Annotated Bother CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccncc1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)C(F)(F)F ZINC000473113262 KK Annotated Reactive CC(C)c1c(Cc2ccc(O)c(O)c2)cc2c(c1[N+](=O)[O-])CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc(O)c(O)c1 ZINC000473113543 KK Annotated Clean Cc1ccccc1-c1ccc(C(=O)NCCNC(=O)c2ccc(OC3[C@H]4CC5C[C@H]3CC(C(=O)O)(C5)C4)cc2)cc1 ZINC000473113603 KK Annotated Anodyne CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4c5c(cn(CCCCCCn6cc7c8c6C[C@@](C)(O)[C@H]8C[C@@]6(C)CC[C@@]8(O[C@@H](C=C(C)C)C[C@@H]8C)[C@@H]6C=C7)c5C[C@@]4(C)O)C=C[C@@H]23)O1 ZINC000473113672 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN=c2nc(-c3ccccc3[N+](=O)[O-])c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473113699 KK Annotated Bother COc1cc(N[C@H](C)CCCN=c2nc(-c3ccccc3[N+](=O)[O-])c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473113700 KK Annotated Bother CC1=C(/N=N/c2ccc(Cl)cc2)N=C(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)NN1 ZINC000473113744 KK Annotated Clean CC1=C(/N=N/c2ccc(Cl)cc2)N=C(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)NN1 ZINC000473113780 KK Annotated Clean COc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(OC)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC ZINC000473113950 KK Annotated Anodyne O=C(NCCCNC(=O)c1ccc2ccccc2c1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473113969 KK Annotated Anodyne O=C(Cn1c(=O)ccn(CCCCOCc2ccc(Br)cc2)c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000473114014 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]32C)nc2ccccc12 ZINC000473114068 KK Annotated Mild CCOC(=O)c1c(-c2ccc(F)cc2)nc(=NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473114081 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)cc2)nc(=NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473114083 KK Annotated Anodyne O=C(NCCNC(=O)c1ccc(-c2c(Cl)cccc2Cl)cc1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473114111 KK Annotated Anodyne O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2cccc(Br)c2)nc(Cc2ccc(F)cc2)n1 ZINC000473114354 KK Annotated Bother COc1cc(-c2cccc(C(=O)/C=C/c3c(-c4ccc(F)cc4)nc4sc(C)nn34)n2)cc(OC)c1OC ZINC000473114385 KK Annotated Mild Cc1cccc(C)c1-c1ccc(C(=O)NCCNC(=O)c2ccc(OC3[C@H]4CC5C[C@H]3CC(C(=O)O)(C5)C4)cc2)cc1 ZINC000473114581 KK Annotated Anodyne COc1ccc(-c2nc3sc(C)nn3c2/C=C/C(=O)c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000473114600 KK Annotated Mild C#CCCCCOC(C)(C)[C@@H](Br)[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C=O)=CC[C@@H]23)O1 ZINC000473114721 KK Annotated Reactive O=c1oc2ccc3ccccc3c2cc1-c1cc(-c2ccc(Br)cc2)nc(Cc2ccc(F)cc2)n1 ZINC000473114944 KK Annotated Bother CC(=O)N[C@@H](CCCC/N=C/C1=CC[C@H]2[C@@]3(CC[C@]2(C)C[C@H]2[C@@H]1C(=O)C[C@@]2(C)O)O[C@@H](C=C(C)C)C[C@@H]3C)C(=O)O ZINC000473114981 KK Annotated Mild COc1cc(N[C@@H](C)CCCN=c2nc(-c3ccccc3)c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473115207 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN=c2nc(-c3ccccc3)c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473115214 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)cc2)nc(=NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473115404 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)cc2)nc(=NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)[nH]c1C ZINC000473115405 KK Annotated Anodyne C#C[C@H](O)C#CCCCCCCCCCCc1cn(CCCCc2ccc3ccc4cccc5ccc2c3c45)nn1 ZINC000473115503 KK Annotated Mild O=C(NCCNC(=O)c1ccc(-c2ccccc2Cl)cc1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473115504 KK Annotated Anodyne O=C(NCCNC(=O)c1ccc(-c2ccccc2)c(Cl)c1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473115508 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN=c2nc(-c3cccc([N+](=O)[O-])c3)c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473115857 KK Annotated Bother COc1cc(N[C@H](C)CCCN=c2nc(-c3cccc([N+](=O)[O-])c3)c(C(=O)OC(C)C)c(C)[nH]2)c2ncccc2c1 ZINC000473115858 KK Annotated Bother C#CCO[C@@H]1[C@@H](C)[C@H](OC(=O)NCCCCCCCNC(=N)NC(=O)NC)[C@@H](C)C(=O)O[C@H](CC)C(C)(C)[C@@H]2OC(C)(C)O[C@H]([C@@H]2C)[C@H](C)C[C@@]1(C)O ZINC000473115893 KK Annotated Mild O=C(O)CC1[C@H]2CC3C[C@H]1CC(Oc1ccc(C(=O)NCCNC(=O)c4ccc5ccccc5c4)cc1)(C3)C2 ZINC000473115913 KK Annotated Anodyne COc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccccc4C)cc3)N=C2c2ccccc2)cc1 ZINC000473115919 KK Annotated Clean Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000473116258 KK Annotated Clean Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000473116259 KK Annotated Clean C#C[C@H](O)C#CCCCCCCCCCCc1cn(CC2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)nn1 ZINC000473116536 KK Annotated Mild CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000473116714 KK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000473116715 KK Annotated Reactive CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@H](Cl)CC(C)(C)C2)C1 ZINC000473116716 KK Annotated Reactive CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@@H](Cl)CC(C)(C)C2)C1 ZINC000473116717 KK Annotated Reactive CC[N@@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1 ZINC000473116728 KK Annotated Bother CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1 ZINC000473116729 KK Annotated Bother CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(C)cc(=O)n(c2=O)CCCCC1 ZINC000473116730 KK Annotated Bother CC[N@+]1(Cc2ccccc2[N+](=O)[O-])CCCCCC[N@@+](CC)(Cc2ccccc2[N+](=O)[O-])CCCCCn2c(=O)cc(C)n(c2=O)CCCCC1 ZINC000473116731 KK Annotated Bother O=C(NCCNC(=O)c1ccc(-c2c(F)cccc2F)cc1)c1ccc(OC2[C@H]3CC4C[C@H]2CC(C(=O)O)(C4)C3)cc1 ZINC000473117446 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1cc(CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4C[C@H](OC(C)=O)[C@@]32C)nc2ccccc12 ZINC000473117873 KK Annotated Mild O=C1NC[C@@H](Cc2ccc3ccccc3c2)N(C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc4ccccc4c3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000473117926 KK Annotated Anodyne O=C1NC[C@@H](Cc2ccc3ccccc3c2)N(C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@@H](Cc3ccc4ccccc4c3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000473117933 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N(c2ccccc2)c2ccnc3ccc(-c4ccc(O)cc4)cc23)cc1 ZINC000473117989 KK Annotated Anodyne Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Br)cc1 ZINC000473118014 KK Annotated Clean Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc(Br)cc1 ZINC000473118015 KK Annotated Clean Cc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4[C@@H]3c3ccc(Cl)cc3)nc2C)cc1 ZINC000473118840 KK Annotated Clean Cc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4[C@H]3c3ccc(Cl)cc3)nc2C)cc1 ZINC000473118857 KK Annotated Clean CCCN(CCCNC(=O)CCCCCCC(=O)NCCCN(CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2 ZINC000473119272 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNCC5CCOCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000473119275 KK Annotated Clean COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)c3cc(OC)c(OC)c(OC)c3)c1)C2=O ZINC000473119324 KK Annotated Anodyne C=CCOC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OCC=C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473119552 KK Annotated Mild C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000473119627 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNC5CCOCC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000473120278 KK Annotated Clean CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(C(C)(C)C)C3=O ZINC000473120486 KK Annotated Reactive C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCOCCOCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000473120498 KK Annotated Reactive CC[N+](CC)(CC)CCOCCOCCOCCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 ZINC000473120505 KK Annotated Bother C[C@@]12C(=O)c3ccccc3C(=O)[C@]1(C)C[C@@H]1C(=CC[C@@H]3C(=O)NC(=O)[C@@H]31)[C@@H]2c1ccc(C(F)(F)F)cc1 ZINC000473120510 KK Annotated Clean Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000473120543 KK Annotated Clean Cc1nc(N2Nc3onc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)sc1/N=N/c1ccc([N+](=O)[O-])cc1 ZINC000473120544 KK Annotated Clean CCCO[C@H]1O[C@@]2(OCCC)C[C@@](C)(O)[C@H]3C[C@@]4(C)CC[C@@]5(O[C@@H](C=C(C)C)C[C@@H]5C)[C@@H]4CC=C1[C@H]32 ZINC000473120729 KK Annotated Anodyne COc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000473121065 KK Annotated Anodyne Cc1ccc(N=c2c(C(N)=O)c[nH]c3ccc(-c4csc(NC(=S)Nc5ccccc5)n4)cc23)cc1 ZINC000473121067 KK Annotated Anodyne Clc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000473121154 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCOCCOCCOCCOCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000473121155 KK Annotated Reactive CN1c2ccc(NCc3ccc(-c4noc(CCCCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473121163 KK Annotated Clean CN1c2ccc(NCc3ccc(-c4noc(CCCCCCC(=O)NO)n4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473121164 KK Annotated Clean Brc1ccc2[nH]c(-c3ccccc3)c(-c3nc(-c4ccccc4)c(-c4ccccc4)n3-c3ccccc3)c2c1 ZINC000473121169 KK Annotated Anodyne COc1ncc(-c2cc3c(-c4ccncc4)ncnc3s2)cc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000473121575 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCOCCOCCOCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000473121806 KK Annotated Reactive COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c1)C2=O ZINC000473121856 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c1)C2 ZINC000473121871 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c1)C2 ZINC000473121873 KK Annotated Anodyne CCCCOC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OCCCC)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473121924 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@@H]1OC(=O)[C@H](Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O ZINC000473121979 KK Annotated Mild Cc1cc(O)c2c(c1)[C@H]1OC(=O)[C@H](Cc3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)N1C1=C2C(=O)c2cccc(O[C@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)c2C1=O ZINC000473121999 KK Annotated Mild O=S(=O)(NCC/C=C1/c2ccccc2Sc2ccc(Cl)cc21)c1ccc(OC(F)(F)F)cc1 ZINC000473122139 KK Annotated Clean CCn1c2ccccc2c2cc(C(=O)OCCCCCCCCOC(=O)c3cc4c5ccccc5n(CC)c4c(C)n3)nc(C)c21 ZINC000473122374 KK Annotated Anodyne COc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4[C@@H]3c3ccc(Cl)cc3)nc2C)cc1 ZINC000473122447 KK Annotated Clean COc1ccc(/N=N/c2sc(N3Nc4onc(-c5ccccc5)c4[C@H]3c3ccc(Cl)cc3)nc2C)cc1 ZINC000473122456 KK Annotated Clean C[C@H]1[C@H](OC(=O)CCC(=O)NCCCNc2c3c4ccccc4nc-3n(C)c3ccccc23)O[C@@H]2O[C@@]3(C)CC[C@H]4CCC[C@@H]1[C@]42OO3 ZINC000473122462 KK Annotated Reactive C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCCCCCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000473122468 KK Annotated Reactive O=C(CCCCCCC[C@H](O)c1ccccc1)c1c(O)cc(O)c([C@@H](CCc2ccccc2)c2ccc(O)cc2O)c1O ZINC000473122476 KK Annotated Anodyne O=C(CCCCCCC[C@H](O)c1ccccc1)c1c(O)cc(O)c([C@H](CCc2ccccc2)c2ccc(O)cc2O)c1O ZINC000473122479 KK Annotated Anodyne O=C1NC[C@@H](Cc2ccc(O)cc2)N(C[C@@H]2CCCN2C[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000473122517 KK Annotated Anodyne CCn1c2ccccc2c2cc(C(=O)OCCCCCCOC(=O)c3cc4c5ccccc5n(CC)c4c(C)n3)nc(C)c21 ZINC000473122639 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(C1CCCCC1)C3=O ZINC000473123079 KK Annotated Reactive CCCCCCCCC(=O)Nc1ccc(C[C@H]2C(=O)O[C@@H]3c4cc(C)cc(O)c4C4=C(C(=O)c5c(O[C@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)cccc5C4=O)N23)cc1 ZINC000473123096 KK Annotated Mild CCCCCCCCC(=O)Nc1ccc(C[C@H]2C(=O)O[C@H]3c4cc(C)cc(O)c4C4=C(C(=O)c5c(O[C@H]6C[C@@H](O)[C@@H](O)[C@H](C)O6)cccc5C4=O)N23)cc1 ZINC000473123101 KK Annotated Mild CN1CCN(C(=O)c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(-c4ccc(Oc5ccccc5)cc4)c23)CC1 ZINC000473123146 KK Annotated Anodyne COc1ccc(NC(=S)NS(=O)(=O)c2ccc(N3N=C(c4ccco4)C[C@@H]3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000473123162 KK Annotated Clean COc1ccc(NC(=S)NS(=O)(=O)c2ccc(N3N=C(c4ccco4)C[C@H]3c3ccc(N(C)C)cc3)cc2)cc1 ZINC000473123167 KK Annotated Clean CCCN(CCCNC(=O)CCCCCCCCCCCCCCC(=O)NCCCN(CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2 ZINC000473123198 KK Annotated Anodyne COc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4ccco4)C[C@@H]3c3c4ccccc4cc4ccccc34)cc2)cc1 ZINC000473123250 KK Annotated Bother COc1ccc(NC(=O)NS(=O)(=O)c2ccc(N3N=C(c4ccco4)C[C@H]3c3c4ccccc4cc4ccccc34)cc2)cc1 ZINC000473123251 KK Annotated Bother O=S(=O)(NC(=S)NCc1ccccc1)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2c3ccccc3cc3ccccc23)cc1 ZINC000473123278 KK Annotated Bother O=S(=O)(NC(=S)NCc1ccccc1)c1ccc(N2N=C(c3ccco3)C[C@H]2c2c3ccccc3cc3ccccc23)cc1 ZINC000473123279 KK Annotated Bother C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCCCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000473123540 KK Annotated Reactive Cc1nc(C(=O)OCCCCCCCCCCOC(=O)c2cc3c4ccccc4n(C)c3c(C)n2)cc2c3ccccc3n(C)c12 ZINC000473123738 KK Annotated Anodyne O=C(NCc1ccccc1)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2c3ccccc3cc3ccccc23)cc1 ZINC000473124036 KK Annotated Bother O=C(NCc1ccccc1)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2c3ccccc3cc3ccccc23)cc1 ZINC000473124043 KK Annotated Bother COc1ccc(C(=O)O[C@H]2CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6C[C@H](O)[C@@]5(O)C[C@]4(C)CC[C@H]3[C@@]2(C)C(=O)O)cc1O ZINC000473124099 KK Annotated Anodyne C[C@H]1[C@H](OC(=O)CCC(=O)NCC(C)(C)CNc2c3c4ccccc4nc-3n(C)c3ccc(Br)cc23)O[C@@H]2O[C@@]3(C)CC[C@H]4CCC[C@@H]1[C@]42OO3 ZINC000473124151 KK Annotated Reactive CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(CCc1ccccc1)C3=O ZINC000473124154 KK Annotated Reactive CCOC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OCC)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473124545 KK Annotated Anodyne COC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OC)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473124680 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c1)C2 ZINC000473124766 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)c1)C2 ZINC000473124769 KK Annotated Anodyne NC(=O)c1c[nH]c2ccc(-c3csc(NC(=S)Nc4ccccc4)n3)cc2c1=Nc1ccc(Br)cc1 ZINC000473124773 KK Annotated Anodyne CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccc3ccccc3c2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473124810 KK Annotated Anodyne CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc3ccccc3c2)N(CCC23CC4CC(CC(C4)C2)C3)C(=O)C1=O ZINC000473124818 KK Annotated Anodyne 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(=O)OCc1ccccc1 ZINC000473124822 KK Annotated Mild Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2c3ccccc3cc3ccccc23)cc1 ZINC000473124842 KK Annotated Bother Cc1ccccc1NC(=O)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2c3ccccc3cc3ccccc23)cc1 ZINC000473124843 KK Annotated Bother O=C(Cn1c(=O)c(I)cn(CCCCCOc2ccc(Br)cc2)c1=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000473124847 KK Annotated Anodyne CS(=O)(=O)O[C@@H]1CCCN(C(=O)CCn2cc(-c3c[nH]c(=N)c4c(-c5ccc(Oc6ccccc6)cc5)csc34)cn2)C1 ZINC000473124884 KK Annotated Mild CS(=O)(=O)O[C@H]1CCCN(C(=O)CCn2cc(-c3c[nH]c(=N)c4c(-c5ccc(Oc6ccccc6)cc5)csc34)cn2)C1 ZINC000473124904 KK Annotated Mild COc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)C(=O)c5ccc(OC)c(O)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1O ZINC000473124921 KK Annotated Anodyne CCCN(CCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCCCN(CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2 ZINC000473125486 KK Annotated Anodyne Brc1ccc(-n2c(-c3c(-c4ccccc4)[nH]c4ccc(Br)cc34)nc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000473125488 KK Annotated Anodyne 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(=O)OCCCC ZINC000473125572 KK Annotated Mild CCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000473125693 KK Annotated Reactive CN1c2ccc(NCc3ccc(-c4nnc(CCCCCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473125706 KK Annotated Clean CN1c2ccc(NCc3ccc(-c4nnc(CCCCCCC(=O)NO)o4)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473125707 KK Annotated Clean CCCN(CCCNC(=O)CCCCCCCCCCC(=O)NCCCN(CCC)CCc1cccc2c1CC(=O)N2)CCc1cccc2c1CC(=O)N2 ZINC000473125747 KK Annotated Anodyne O=C1NC[C@@H](Cc2ccc3ccccc3c2)N(C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000473125784 KK Annotated Anodyne O=C1NC[C@@H](Cc2ccc3ccccc3c2)N(C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)C1=O ZINC000473125788 KK Annotated Anodyne CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5nccc(OCC(F)(F)F)c5C)cc4)c3cc21 ZINC000473125811 KK Annotated Anodyne CC1=CCC[C@@H]2[C@@]3(C)[C@@H](OC(=O)c4ccccc4)C[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000473126074 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)C(=O)/C(=C/c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)CO2 ZINC000473126322 KK Annotated Mild COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(=O)c3ccc(F)c(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)c1)C2 ZINC000473126333 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c1)C2=O ZINC000473126404 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(CCO)C3=O ZINC000473126413 KK Annotated Reactive C#CCOC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OCC#C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473126421 KK Annotated Mild CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC(=O)OCc6ccccc6)[C@H](C(C)(C)C(=O)OCc6ccccc6)CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000473126423 KK Annotated Anodyne CCCCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000473126435 KK Annotated Reactive C=CCOc1cc(C(=O)O[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OCC=C)c1OCC=C ZINC000473126498 KK Annotated Mild COC(=O)c1ccc2c(c1)c(NCCCNC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5CCC[C@@H]([C@H]1C)[C@]53OO4)c1c3ccccc3nc-1n2C ZINC000473126596 KK Annotated Reactive CN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000473126706 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(C(=O)c2cn3nc(-c4ccc(F)cc4)cc(C(C)(C)C)c3n2)C(C)(C)C1 ZINC000473126755 KK Annotated Anodyne CCCCCCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000473126769 KK Annotated Reactive CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473127008 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473127009 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473127010 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)[C@H]5[C@H](C[C@@H](c6ccoc6)[C@H]5C)O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000473127142 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)[C@H]5[C@H](C[C@@H](c6ccoc6)[C@@H]5C)O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000473127147 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)[C@H]5[C@H](C[C@@H](c6ccoc6)[C@H]5C)O[C@H](OC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000473127152 KK Annotated Anodyne COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(F)c(NC(=O)c3ccc(OC)c(OC)c3)c1)C2=O ZINC000473127168 KK Annotated Anodyne NC(=O)c1c[nH]c2ccc(-c3csc(NC(=S)Nc4ccccc4)n3)cc2c1=Nc1ccc(Cl)cc1 ZINC000473127297 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 ZINC000473127324 KK Annotated Reactive COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H](OC(=O)c1ccc(F)c(NC(=O)c3ccc(F)c(NC(=O)c4ccc(OC)c(OC)c4)c3)c1)C2 ZINC000473127354 KK Annotated Anodyne NC(=O)c1c[nH]c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2c1=Nc1ccc(Br)cc1 ZINC000473127357 KK Annotated Mild COc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)O[C@@H]4Cc5c(OC)cc(OC)cc5O[C@@H]4c4cc(OC)c(OC)c(OC)c4)ccc3F)ccc2F)cc1 ZINC000473127370 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CNc5ccc6c(c5)OCCOCCOCCOCCO6)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000473127437 KK Annotated Clean CCn1c2ccccc2c2cc(C(=O)OCCCCCCCCCOC(=O)c3cc4c5ccccc5n(CC)c4c(C)n3)nc(C)c21 ZINC000473127532 KK Annotated Anodyne CN(C)CCCOc1ccc2oc(=O)c(-c3ccc(OC4=CC(=O)c5cc6ccccc6cc5C4=O)cc3)cc2c1 ZINC000473127554 KK Annotated Mild CN1c2ccc(NCc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21 ZINC000473127566 KK Annotated Clean CN1c2ccc(NCc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21 ZINC000473127569 KK Annotated Clean CCCOC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OCCC)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000473127997 KK Annotated Anodyne COC(=O)c1ccc2c(c1)c(NCC(C)(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5CCC[C@@H]([C@H]1C)[C@]53OO4)c1c3ccccc3nc-1n2C ZINC000473128003 KK Annotated Reactive Cc1nc(C(=O)OCCCCCCOC(=O)c2cc3c4ccccc4n(C)c3c(C)n2)cc2c3ccccc3n(C)c12 ZINC000473128091 KK Annotated Anodyne CN(C)c1ccc(/C=C/C(=O)c2ccc3[nH]cc(C(N)=O)c(=Nc4ccc(Br)cc4)c3c2)cc1 ZINC000473128121 KK Annotated Mild Cc1nc(C(=O)OCCCOC(=O)c2cc3c4ccccc4n(C)c3c(C)n2)cc2c3ccccc3n(C)c12 ZINC000473128145 KK Annotated Anodyne C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)CCc4ccc(O)cc4)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 ZINC000473128322 KK Annotated Anodyne CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473128461 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473128466 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473128469 KK Annotated Mild COC(=O)N[C@@H](C(=O)N1CCC[C@@]1(C)C(=O)Nc1ccc(-c2ccc(NC(=O)[C@]3(C)CCCN3C(=O)[C@H](NC(=O)OC)c3ccccc3)cc2)cc1)c1ccccc1 ZINC000473128535 KK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1OC(F)(F)F)C2 ZINC000473128612 KK Annotated Bother C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5OC=C[C@@H]4[C@]1(C)[C@@H]32 ZINC000473129048 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473129060 KK Annotated Mild CC(C)CC(=O)c1c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473129061 KK Annotated Mild CC(C)CC(=O)c1c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473129062 KK Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]c(-c4cccc(Cl)c4)c3c2)c1F)c1cccnc1 ZINC000473129462 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c([C@H](CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O ZINC000473129611 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@@H](CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c([C@@H](CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O ZINC000473129613 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](CC(C)C)C2=C(O)CC(C)(C)CC2=O)c(O)c([C@@H](CC(C)C)C2=C(O)CC(C)(C)CC2=O)c1O ZINC000473129614 KK Annotated Mild CC1(C)C(=O)CC[C@@]2(C)[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(C)C3=CC[C@@H](C4=CC(=O)OC4)[C@]3(C)CC[C@H]21 ZINC000473130111 KK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OC(C)(C)C)c3ccccc43)cc2c1 ZINC000473130914 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OC(C)(C)C)c3ccccc43)cc2c1 ZINC000473130915 KK Annotated Reactive CO[C@@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)[C@H]([C@H](O)C(C)(C)O)O1 ZINC000473130935 KK Annotated Anodyne CO[C@H]1C[C@H]([C@@H]2CC[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]24C)[C@H]([C@H](O)C(C)(C)O)O1 ZINC000473130936 KK Annotated Anodyne O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1c(Cl)cc(-c3ccc(OC(F)(F)F)cc3)cc1Cl)C2 ZINC000473131264 KK Annotated Bother CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000473131316 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000473131317 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C ZINC000473131318 KK Annotated Mild CCCCCC(=O)c1c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c(O)c2c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@H]2C(C)C ZINC000473131319 KK Annotated Mild CC(C)C(=O)c1cc2c(c3c1OC1=C(C(=O)c4ccccc41)[C@H]3C(C)C)OC1=C(C(=O)c3ccccc31)[C@@H]2C(C)C ZINC000473131322 KK Annotated Mild CC(C)C(=O)c1cc2c(c3c1OC1=C(C(=O)c4ccccc41)[C@@H]3C(C)C)OC1=C(C(=O)c3ccccc31)[C@@H]2C(C)C ZINC000473131323 KK Annotated Mild CC(C)C(=O)c1cc2c(c3c1OC1=C(C(=O)c4ccccc41)[C@H]3C(C)C)OC1=C(C(=O)c3ccccc31)[C@H]2C(C)C ZINC000473131324 KK Annotated Mild CC(C)C(=O)c1cc2c(c3c1OC1=C(C(=O)c4ccccc41)[C@@H]3C(C)C)OC1=C(C(=O)c3ccccc31)[C@H]2C(C)C ZINC000473131325 KK Annotated Mild CC(C)[C@@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473131777 KK Annotated Mild CC(C)[C@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473131779 KK Annotated Mild CC(C)[C@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473131781 KK Annotated Mild CC(C)[C@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473131782 KK Annotated Mild COc1ccc2c(ccc3c(-c4cc5c(cc4OC)-c4c(cc(O)cc4OC)CC5)c(O)cc(OC)c32)c1 ZINC000473131827 KK Annotated Bother CCCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000473131947 KK Annotated Reactive C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)[C@@H](C[C@H](C#N)P(=O)(OCC)OCC)C3=O ZINC000473131954 KK Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)[C@@H](C[C@@H](C#N)P(=O)(OCC)OCC)C3=O ZINC000473131961 KK Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)[C@H](C[C@H](C#N)P(=O)(OCC)OCC)C3=O ZINC000473131966 KK Annotated Mild C=C(C)[C@H]1CC[C@@]23C[C@H](CC[C@H]2[C@]1(C)CCC(=O)OC)[C@H](C[C@@H](C#N)P(=O)(OCC)OCC)C3=O ZINC000473131972 KK Annotated Mild COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)NCCC(C)C)c2)cn1 ZINC000473132027 KK Annotated Anodyne CC(C)C1=C[C@]23Oc4c(C(C)C)cc5c(c4O[C@@]2(C(=O)C1=O)[C@]12CO[C@@H]3C[C@H]1C(C)(C)C[C@H](O)C2)[C@]12CO[C@@H]5C[C@H]1C(C)(C)C[C@H](O)C2 ZINC000473132073 KK Annotated Mild CC(C)C1=C[C@@]23Oc4c(C(C)C)cc5c(c4O[C@]2(C(=O)C1=O)[C@]12CO[C@@H]3C[C@H]1C(C)(C)C[C@H](O)C2)[C@]12CO[C@@H]5C[C@H]1C(C)(C)C[C@H](O)C2 ZINC000473132095 KK Annotated Mild O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccc(OC(F)(F)F)cc3)cc1C(F)(F)F)C2 ZINC000473132407 KK Annotated Bother COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)N(C)c4nnc(C)s4)cc3)cc(C(=O)NCCc3ccccc3F)c2)cn1 ZINC000473132462 KK Annotated Anodyne COc1ccc(-c2cc(CNc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc(C(=O)NCCc3ccccc3F)c2)cn1 ZINC000473132754 KK Annotated Anodyne CC(C)[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000473133064 KK Annotated Mild CC(C)[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000473133065 KK Annotated Mild CC(C)[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@@H](C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)C(C)C)c1O ZINC000473133066 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5O[C@H](OC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000473133086 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@H]5O[C@@H](OC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000473133087 KK Annotated Anodyne CC(C)[C@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473133106 KK Annotated Mild CC(C)[C@@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473133107 KK Annotated Mild CC(C)[C@H](C1=C(O)CC(C)(C)CC1=O)c1c(O)c(C(=O)c2ccccc2)c(O)c([C@H](C2=C(O)CC(C)(C)CC2=O)C(C)C)c1O ZINC000473133108 KK Annotated Mild O=S(=O)(Nc1ccc(F)c(C#Cc2cnc3n[nH]c(-c4ccccc4Cl)c3c2)c1F)c1cccnc1 ZINC000473133133 KK Annotated Mild CC(C)C[C@@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(=O)C(C)C)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473133374 KK Annotated Mild CC(C)C[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(=O)C(C)C)c(O)c([C@@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473133375 KK Annotated Mild CC(C)C[C@H](C1=C(O)C(C)(C)C(=O)C(C)(C)C1=O)c1c(O)c(C(=O)C(C)C)c(O)c([C@H](CC(C)C)C2=C(O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000473133376 KK Annotated Mild CC(C)=CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3O[C@@]3(C)CO)O[C@H]2O)C1(C)C ZINC000473133728 KK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473133730 KK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473133731 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3[C@@H]4[C@@H](O)C(C)(C)[C@@H](C(C)C)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473133761 KK Annotated Anodyne CCc1nn2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473133994 KK Annotated Clean CC(C)CCN=c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)[nH]c(-c2ccc3c(c2)OCO3)c1C#N ZINC000473134011 KK Annotated Mild COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2ccccc2C)c1 ZINC000473134032 KK Annotated Anodyne COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)ccc2c1 ZINC000473134034 KK Annotated Reactive COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134049 KK Annotated Clean COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134050 KK Annotated Clean COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134051 KK Annotated Clean COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(OC)c(OC)c4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134052 KK Annotated Clean CCCCn1cc(CCCOc2ccc(C(=O)NCCCCN(CCC)CCc3ccc(O)c4nc(O)ccc34)cc2OC)nn1 ZINC000473134084 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@]23C[C@H]4C(C)(C)c5ccccc5C(=O)[C@]45C(=O)[C@](CC=C(C)C)(C2=O)[C@@H](CC=C(C)C)[C@@]1(C)[C@]53O ZINC000473134113 KK Annotated Anodyne C=C1CCC[C@H]2[C@@]3(C)[C@@H](OC(=O)c4ccccc4)C[C@@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000473134126 KK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)O[C@@]1(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C)C3=O ZINC000473134156 KK Annotated Anodyne CC[C@H](C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)O[C@@]1(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C)C3=O ZINC000473134167 KK Annotated Anodyne CC[C@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000473134209 KK Annotated Mild CC[C@@H](C)C(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C1=O ZINC000473134216 KK Annotated Mild CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)[C@@H](C(C)C)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473134322 KK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)[C@H](C(C)C)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473134331 KK Annotated Anodyne O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1c(-c2ccccc2)nn2ccc(Cl)cc12 ZINC000473134389 KK Annotated Clean COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134421 KK Annotated Clean COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473134422 KK Annotated Clean COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134423 KK Annotated Clean COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Cl)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473134424 KK Annotated Clean N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NCCCc1ccccc1 ZINC000473134457 KK Annotated Mild N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NCCCCc1ccccc1 ZINC000473134465 KK Annotated Mild N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NCCc1ccccc1 ZINC000473134467 KK Annotated Mild COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1CC(=O)c1c(OC)c(C)cc(O)c1C(=O)c1c(OC)cccc1OC ZINC000473134820 KK Annotated Anodyne N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NCC(c1ccccc1)c1ccccc1 ZINC000473134832 KK Annotated Mild O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1c(C2CC2)nn2ccc(Cl)cc12 ZINC000473134839 KK Annotated Clean COc1ccc(-c2c(C#N)c(N)nc(SCc3nc(-c4ccc(Cl)cc4)sc3Br)c2C#N)cc1 ZINC000473134880 KK Annotated Mild C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)c3ccc(O)cc3)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC(C)=O)C[C@H]1C ZINC000473134949 KK Annotated Anodyne CC(C)N1[C@@H]2C=C(c3cnc(NCc4ccc5c(c4)OCC5)c(C(=O)NC[C@H]4COc5ccccc5O4)c3)C[C@H]1CC2 ZINC000473134964 KK Annotated Anodyne N#Cc1c(-c2ccc3c(c2)OCO3)cc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1NC1CC1 ZINC000473134973 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)[C@]2(C[C@H]3[C@@H](CC[C@@]3(C)O)[C@](C)(O)C2)C(=O)C(C(=O)C(C)C)=C1O ZINC000473135016 KK Annotated Mild CCc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1 ZINC000473135071 KK Annotated Clean CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 ZINC000473135105 KK Annotated Anodyne CCCn1cc(-c2cnc(NCc3ccc4ncsc4c3)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 ZINC000473135110 KK Annotated Anodyne Cc1nn2ccc(C(C)C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473135112 KK Annotated Clean CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 ZINC000473135138 KK Annotated Anodyne CCCn1cc(-c2cnc(NCc3ccc4sccc4c3)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 ZINC000473135143 KK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@@H]4C(C)(C)O[C@@]1(O)[C@@]4(/C=C/C(C)(C)O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473135239 KK Annotated Anodyne CC(C)=C[C@@H]1OC(C)(C)[C@@H]2C[C@@H]3C[C@@]4(C/C=C(\C)CC/C=C/C(C)C)C(=O)[C@@]12C(=O)[C@](C(=O)c1ccccc1)(C4=O)C3(C)C ZINC000473135270 KK Annotated Anodyne CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCc5cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@H]67)nn5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000473135291 KK Annotated Anodyne COc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1 ZINC000473135352 KK Annotated Clean Cc1cn([C@H]2C[C@H](N3C(=O)CS[C@H]3c3c4ccccc4cc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473135381 KK Annotated Reactive Cc1cn([C@H]2C[C@H](N3C(=O)CS[C@@H]3c3c4ccccc4cc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473135386 KK Annotated Reactive CN(CCCN1c2ccccc2CCc2ccc(Cl)cc21)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000473135400 KK Annotated Anodyne CC1=CCC[C@@H]2[C@@]1(C)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1cccnc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000473135421 KK Annotated Anodyne C/C(=C\C[C@]12C[C@H]3C[C@H]4C(C)(C)CC[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C)CC/C=C/C(C)C ZINC000473135469 KK Annotated Anodyne C/C(=C\C[C@]12C[C@H]3C[C@@H]4C(C)(C)CC[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C)CC/C=C/C(C)C ZINC000473135470 KK Annotated Anodyne CN(C)CCN=c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)[nH]c(-c2ccc3c(c2)OCO3)c1C#N ZINC000473135480 KK Annotated Mild NCCCC[C@@H]1N=C(c2ccc(-c3ccccc3)cc2)c2[nH]c(C(=O)O)cc2N(CCc2ccc(O)cc2)C1=O ZINC000473135524 KK Annotated Anodyne COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473135598 KK Annotated Clean COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000473135600 KK Annotated Clean COc1ccc(/C=C2\CCC[C@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473135601 KK Annotated Clean COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C2=NC(=O)/C(=C/c4ccc(Br)cc4)S2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000473135602 KK Annotated Clean CC[C@@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000473135635 KK Annotated Anodyne CC[C@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000473135636 KK Annotated Anodyne CC1=CCC[C@@H]2[C@@]1(C)[C@@H](OC(=O)c1cccnc1)[C@H](OC(=O)c1ccccc1)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 ZINC000473135650 KK Annotated Anodyne CC(C)=CC[C@]12C[C@H]3C[C@H]4C(C)(C)O[C@@H](C=C(C)C)[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473135657 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2n2nncc2-c2ccc3cc(OC)ccc3c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000473135738 KK Annotated Anodyne CC(C)CCC[C@](C)(O)c1ccc(COC(=O)c2ccc([C@@](C)(O)CCCC(C)C)c(O)c2)cc1O ZINC000473135762 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3nncc3-c3ccc(Oc4ccccc4)cc3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473135771 KK Annotated Reactive N#Cc1c(SCc2nc(-c3ccc(Cl)cc3)sc2Br)[nH]c(=N)c(C#N)c1-c1ccc2c(c1)OCO2 ZINC000473135815 KK Annotated Mild CC(C)=CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@H]2O)C1(C)C ZINC000473135858 KK Annotated Anodyne CC[C@@H](C)C1=C(C=O)C[C@]2(C)[C@@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]12)C3=O ZINC000473135859 KK Annotated Reactive CC[C@H](C)C1=C(C=O)C[C@]2(C)[C@@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]12)C3=O ZINC000473135860 KK Annotated Reactive Brc1ccc(C2=NN(c3ccccc3)[C@]3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1 ZINC000473135875 KK Annotated Anodyne Brc1ccc(C2=NN(c3ccccc3)[C@@]3(C2)c2ccccc2-c2nc4ccccc4nc23)cc1 ZINC000473135876 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3[C@H](C=C(C)C)[C@](CC=C(C)C)(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473135898 KK Annotated Anodyne C/C(=C\C[C@]12C[C@H]3C[C@@H]4C(C)(C)O[C@@]1(O)[C@@]4(/C=C/C(C)(C)O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C)CC/C=C/C(C)C ZINC000473135902 KK Annotated Anodyne CCC(CC)N=c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)[nH]c(-c2ccc3c(c2)OCO3)c1C#N ZINC000473135950 KK Annotated Mild N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NCc1ccccc1 ZINC000473135975 KK Annotated Mild CCNc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)cc(-c2ccc3c(c2)OCO3)c1C#N ZINC000473136007 KK Annotated Mild Cc1nn2ccc(C(C)(C)C)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136023 KK Annotated Clean CC(C)=CC[C@]12C[C@@H]3[C@@H]4[C@@H](O)C(C)(C)[C@@H](C(C)C)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C ZINC000473136122 KK Annotated Anodyne CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)cn1 ZINC000473136190 KK Annotated Anodyne CCCn1cc(-c2cnc(NCc3ccc4occc4c3)c(C(=O)NC[C@@H]3COc4ccccc4O3)c2)cn1 ZINC000473136194 KK Annotated Anodyne N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NC1CCCC1 ZINC000473136232 KK Annotated Mild CC[C@@H](C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)C[C@H](CC=C(C)C)[C@@]1(C)CC[C@@H](C(C)(C)O)OC2=C(CC=C(C)C)C3=O ZINC000473136254 KK Annotated Mild CCCCN=c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)[nH]c(-c2ccc3c(c2)OCO3)c1C#N ZINC000473136317 KK Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@H]1Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000473136330 KK Annotated Mild CC1(C)OC2=C(C(=O)C(=O)c3ccccc32)[C@@H]1Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)cc1 ZINC000473136331 KK Annotated Mild Cc1nn2ccc(C(F)(F)F)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136344 KK Annotated Clean Cc1nn2c(C)cccc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136352 KK Annotated Clean C#CCCCOC(=O)/C=C/C1=CC[C@H]2[C@@]3(CC[C@]2(C)C[C@H]2[C@@H]1C(=O)C[C@@]2(C)O)O[C@@H](C=C(C)C)C[C@@H]3C ZINC000473136362 KK Annotated Mild N#Cc1c(SCc2csc(-c3ccc(Cl)cc3)n2)[nH]c(=N)c(C#N)c1-c1ccc2c(c1)OCO2 ZINC000473136379 KK Annotated Mild COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2c1 ZINC000473136422 KK Annotated Reactive C#CCNc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)cc(-c2ccc3c(c2)OCO3)c1C#N ZINC000473136461 KK Annotated Mild N#Cc1c(-c2ccc3c(c2)OCO3)[nH]c(SCc2csc(-c3ccc(Cl)cc3)n2)nc1=NC1CCCCC1 ZINC000473136467 KK Annotated Mild COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](C(C)C)(C(C)C)C(C)C)ccc2c1 ZINC000473136486 KK Annotated Reactive CC(=O)Oc1cc(/C=N\C[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)cc(OC(C)=O)c1OC(C)=O ZINC000473136601 KK Annotated Mild O=C(NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1)c1cnn2ccc(Cl)cc12 ZINC000473136627 KK Annotated Clean COc1ccc(-c2c(C#N)c(N)nc(SCc3nc(-c4ccc(Cl)cc4)sc3Cl)c2C#N)cc1 ZINC000473136632 KK Annotated Mild Cc1nn2ccc(-c3ccccc3)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473136704 KK Annotated Clean O=C(NCCCN1c2ccccc2CCc2ccc(Cl)cc21)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000473136744 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2c(CC=C(C)C)cc(CC=C(C)C)c(CC=C(C)C)c2c1/C=C1\NC(=O)[C@H](C)NC1=O ZINC000473136929 KK Annotated Mild Cc1ccn2nc(C)c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c2c1 ZINC000473136947 KK Annotated Clean CC(C)N=c1nc(SCc2csc(-c3ccc(Cl)cc3)n2)[nH]c(-c2ccc3c(c2)OCO3)c1C#N ZINC000473137004 KK Annotated Mild Cc1cn([C@H]2C[C@H](n3nncc3-c3cccc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473137040 KK Annotated Reactive N#Cc1c(SCc2nc(-c3ccc(Cl)cc3)sc2Cl)[nH]c(=N)c(C#N)c1-c1ccc2c(c1)OCO2 ZINC000473137205 KK Annotated Mild Cc1ccc(Cn2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)cc2-c2ccc(Cl)c(C)c2)cc1 ZINC000473137241 KK Annotated Anodyne COc1cccc(OC)c1C(=O)c1c(O)cc(C)c(OC)c1C1=C(c2c(OC)cccc2OC)c2c(O)cc(C)c(OC)c2C1=O ZINC000473137253 KK Annotated Mild Cc1nn2ccc(Cl)cc2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473137276 KK Annotated Clean O=S(=O)(N[C@H]1CCOC2(C1)c1ccccc1CCc1ccccc12)c1ccc(OC(F)(F)F)cc1 ZINC000473137301 KK Annotated Anodyne O=S(=O)(N[C@@H]1CCOC2(C1)c1ccccc1CCc1ccccc12)c1ccc(OC(F)(F)F)cc1 ZINC000473137305 KK Annotated Anodyne Cc1nn2cccc(C)c2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000473137314 KK Annotated Clean CNC(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1O[C@@H]1CCN(C(=O)c2cc(Br)ccc2NC(=O)OC(C)(C)C)C1 ZINC000473137602 KK Annotated Anodyne CNC(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1O[C@H]1CCN(C(=O)c2cc(Br)ccc2NC(=O)OC(C)(C)C)C1 ZINC000473137603 KK Annotated Anodyne O=S(=O)(N[C@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccc(OC(F)(F)F)cc1 ZINC000473137633 KK Annotated Anodyne O=S(=O)(N[C@@H]1CCC2(OC1)c1ccccc1CCc1ccccc12)c1ccc(OC(F)(F)F)cc1 ZINC000473137634 KK Annotated Anodyne Cc1ccc2c(C(=O)NCc3ccc(N4CCC(c5ccc(OC(F)(F)F)cc5)CC4)cc3)c(C)nn2c1 ZINC000473137658 KK Annotated Clean CC(=O)Oc1cc(C(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)cc(OC(C)=O)c1OC(C)=O ZINC000473137663 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3nncc3-c3cc4ccccc4c4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O ZINC000473137667 KK Annotated Reactive COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCN2C(=O)C(=O)c3ccccc32)nn1 ZINC000473144197 KK Annotated Mild CCCCCCCCCOc1cc(COc2c(Cl)cc(CN=c3nn[nH][nH]3)cc2OC)cc([N+](=O)[O-])c1 ZINC000473144249 KK Annotated Mild CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)S(=O)(=O)c1cnn(C)c1 ZINC000473144465 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)S(=O)(=O)CC1CC1 ZINC000473144671 KK Annotated Anodyne COC(=O)[C@@H]1N2C(=O)C(Br)(Br)[C@H]2S[C@@]1(C)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000473145009 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccccc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473145136 KK Annotated Mild O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CC[C@@H](F)C1)CC2 ZINC000473145150 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CC[C@@H](F)C1)CC2 ZINC000473145152 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(OCCn3cc(CN4C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/4C)nn3)cc2O)cc1 ZINC000473145190 KK Annotated Mild Cn1c(Nc2c(Cl)ccc(CNC(=O)c3cccc[n+]3[O-])c2Cl)nc2cc(C(=O)NCCC(F)(F)F)c(N3CCC(C(F)(F)F)CC3)cc21 ZINC000473145567 KK Annotated Anodyne CN(CCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2)S(=O)(=O)C1CCC1 ZINC000473145690 KK Annotated Anodyne C[C@@]1(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)S[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccccc1 ZINC000473145771 KK Annotated Anodyne CCCCCCCCCCCCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)O)cc21 ZINC000473145784 KK Annotated Mild CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473145825 KK Annotated Anodyne COc1ccc(C(=O)OCCN(C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)cc(C(F)(F)F)c1 ZINC000473145945 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473146017 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473146027 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473146631 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473146664 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccc(Cl)cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473146700 KK Annotated Mild COc1ccc(C(=O)OCCN(C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)ccc1OC(F)(F)F ZINC000473146720 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccc(Br)cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3ccccc32)nn1 ZINC000473146740 KK Annotated Mild COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCN3C(=O)C(=O)c4cc(Cl)ccc43)nn2)c(OC)c1 ZINC000473146846 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473146927 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473146935 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc(Br)c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3ccccc32)nn1 ZINC000473147440 KK Annotated Mild CCCCCCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)OC(C)(C)C)cc21 ZINC000473147460 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473147476 KK Annotated Mild CC1=C(C)C(=O)C(CC[C@](C)(O)C(=O)NCCCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CCCC3)=C(C)C1=O ZINC000473147717 KK Annotated Mild CC1=C(C)C(=O)C(CC[C@@](C)(O)C(=O)NCCCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CCCC3)=C(C)C1=O ZINC000473147723 KK Annotated Mild CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3ccc(OC)nc3)ccc2OC(F)(F)F)c1 ZINC000473147749 KK Annotated Anodyne S=C(Nc1ccccc1Cl)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Cl ZINC000473147897 KK Annotated Reactive CCOP(=O)(OCC)[C@H](Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 ZINC000473148645 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1 ZINC000473148646 KK Annotated Anodyne COc1cccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCN4C(=O)C(=O)c5cc(Cl)ccc54)nn3)c(OC)c2)c1 ZINC000473148659 KK Annotated Mild CCCCCCCCCCCCCCCCNC(=O)CN1C(=O)[C@@H](CC(C)C)N=C(C)c2ccc(C(=O)OC(C)(C)C)cc21 ZINC000473149114 KK Annotated Mild COc1cc(CN(CC(=O)O)Cc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000473149129 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccs2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473149179 KK Annotated Mild COc1ccc(C(=O)OCCN(C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cnn(C)c2)ccc1OC(F)(F)F ZINC000473149203 KK Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(C(F)(F)F)cc2c1=Nc1ccc(NCCCN2CCN(CC)CC2)cc1 ZINC000473149652 KK Annotated Anodyne COc1ccc(-c2ccc(OC(F)(F)F)c(NC(=O)Nc3cc(C(=O)OCCN(C)C)ccc3OC)c2)cn1 ZINC000473149674 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473149913 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473149929 KK Annotated Anodyne COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCN4C(=O)C(=O)c5cc(Cl)ccc54)nn3)c(OC)c2)cc1 ZINC000473150006 KK Annotated Mild CC1=C(C)C(=O)C(CC[C@](C)(O)C(=O)N[C@H](O)CCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CCCC3)=C(C)C1=O ZINC000473150183 KK Annotated Mild CC1=C(C)C(=O)C(CC[C@@](C)(O)C(=O)N[C@@H](O)CCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CCCC3)=C(C)C1=O ZINC000473150187 KK Annotated Mild CC1=C(C)C(=O)C(CC[C@](C)(O)C(=O)N[C@@H](O)CCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CCCC3)=C(C)C1=O ZINC000473150189 KK Annotated Mild CC1=C(C)C(=O)C(CC[C@@](C)(O)C(=O)N[C@H](O)CCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CCCC3)=C(C)C1=O ZINC000473150190 KK Annotated Mild CC(C)C[C@H]1N=C(c2ccccc2)c2ccc(C(=O)OC(C)(C)C)cc2N(Cc2ccc(C3CCCCC3)cc2)C1=O ZINC000473150191 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473150270 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473150273 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473150299 KK Annotated Mild COc1ccc2[nH]c3c(c(=NCCCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473150349 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473150364 KK Annotated Anodyne C#CCCC/C=C(\C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CC)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)CC ZINC000473150394 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473150478 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473150496 KK Annotated Anodyne COc1cccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCN4C(=O)C(=O)c5cc(Br)ccc54)nn3)c(OC)c2)c1 ZINC000473150870 KK Annotated Mild CC1=N[C@H](CC(C)C)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473150876 KK Annotated Anodyne CC1=N[C@@H](CC(C)C)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473150878 KK Annotated Anodyne S=C(Nc1ccccc1Br)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Br ZINC000473150883 KK Annotated Reactive CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C=C(N[C@@H](Cc2cc3ccccc3[nH]2)C(=O)O)C1=O ZINC000473150892 KK Annotated Mild CCN(CC)C(=O)Oc1cc2oc3cc(O)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000473150897 KK Annotated Bother Fc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1F ZINC000473150916 KK Annotated Reactive COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473150933 KK Annotated Mild COc1ccc(C(=O)OCCN(C(C)C)C(C)C)cc1NC(=O)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F ZINC000473150988 KK Annotated Anodyne CC(C)(C)c1ccc(Nc2ccc(F)cc2NCCC[N+](C)(C)Cc2ccc(Cl)cc2Cl)cc1 ZINC000473151217 KK Annotated Bother COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCN4C(=O)C(=O)c5cc(Cl)ccc54)nn3)c(OC)c2)cc1OC ZINC000473151521 KK Annotated Mild C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(S(F)(F)(F)(F)F)cc1)Cc1ccc(Cl)cc1Cl ZINC000473151535 KK Annotated Reactive COc1cc(/C=C/C(=O)/C=C/c2ccc(Br)cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473151549 KK Annotated Mild CC(=O)O[C@@H](C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O)[C@H](O)C(C)(C)O ZINC000473151553 KK Annotated Mild CC(=O)O[C@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O[C@@H]1C(C)(C)O ZINC000473151562 KK Annotated Anodyne CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000473151592 KK Annotated Anodyne CC(C)(C)[C@H](Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000473151596 KK Annotated Anodyne CC(C)(C)[C@@H](Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCC(F)(F)F)OCC(F)(F)F ZINC000473151597 KK Annotated Anodyne O=[P@]1(c2ccccc2)C=C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000473151601 KK Annotated Anodyne O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1F ZINC000473151872 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473152106 KK Annotated Anodyne CCCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473152110 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152112 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@H](OC)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152113 KK Annotated Anodyne CN1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)CC2)CC1 ZINC000473152114 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1)C1CC1 ZINC000473152119 KK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473152121 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1O ZINC000473152122 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 KK Annotated Anodyne CCCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473152125 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1)C1CC1 ZINC000473152126 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@H](O)C2)CC1)C1CC1 ZINC000473152134 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473152135 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C(C)C)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473152151 KK Annotated Anodyne CO[C@@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473152157 KK Annotated Anodyne CO[C@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473152158 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccccc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473152324 KK Annotated Mild COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCN4C(=O)C(=O)c5cc(Br)ccc54)nn3)c(OC)c2)cc1 ZINC000473152392 KK Annotated Mild Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473152447 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473152448 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152451 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152452 KK Annotated Anodyne CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3cncnc3)ccc2OC(F)(F)F)c1 ZINC000473152461 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473152604 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCN=c1c3c([nH]c4cc(Cl)ccc14)CCCC3)O2 ZINC000473152607 KK Annotated Anodyne O=C(Nc1ccc(O)cc1)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccc(Cl)cc3)cc2)C1=O ZINC000473152621 KK Annotated Anodyne CCN(CC)CCOC(=O)c1ccc(OC)c(NC(=O)Nc2cc(-c3ccc4[nH]ccc4c3)ccc2OC(F)(F)F)c1 ZINC000473152660 KK Annotated Anodyne COc1ccc2c([nH]c3c(-c4c(O)c(C)cc5c4[nH]c4c(OC)c(OC)ccc45)c(O)c(C)cc32)c1C=O ZINC000473152692 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152734 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473152735 KK Annotated Anodyne COn1c2ccccc2c2cc(COCc3ccc4c(c3)c3cc(Cc5ccc6c(c5)c5ccccc5n6OC)ccc3n4OC)ccc21 ZINC000473152875 KK Annotated Anodyne COc1ccc(C(=O)OCCN(C)C)cc1NC(=O)Nc1cc(-c2ccc3[nH]ccc3c2)ccc1OC(F)(F)F ZINC000473152918 KK Annotated Anodyne CCOC(=O)c1c[nH]c2ccc(C(F)(F)F)cc2c1=Nc1ccc(OCCCN2CCN(CC)CC2)cc1 ZINC000473153102 KK Annotated Anodyne CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c2cc(C(=O)O)ccc21 ZINC000473153106 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc(Br)c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 ZINC000473153239 KK Annotated Mild C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(C(F)(F)F)cc1)Cc1ccc(Cl)cc1Cl ZINC000473153240 KK Annotated Bother CC1=N[C@@H](Cc2ccccc2)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153252 KK Annotated Anodyne CC1=N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(C3CCCCC3)cc2)c2cc(C(=O)OC(C)(C)C)ccc21 ZINC000473153253 KK Annotated Anodyne COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCN4C(=O)C(=O)c5cc(Br)ccc54)nn3)c(OC)c2)cc1OC ZINC000473153254 KK Annotated Mild O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1Br ZINC000473153269 KK Annotated Reactive O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1Br ZINC000473153271 KK Annotated Reactive CC[C@H](C)[C@@H]1N=C(C)c2ccc(C(=O)OC(C)(C)C)cc2N(Cc2ccc(C3CCCCC3)cc2)C1=O ZINC000473153283 KK Annotated Anodyne N#Cc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000473153302 KK Annotated Mild Cc1ccc2c(c1)c(-c1cncc(N)c1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153305 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2Cl)ccc1Cl ZINC000473153331 KK Annotated Anodyne Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3cc(=O)c4c(C)ccc(F)c4[nH]3)c(Cl)c2)n1 ZINC000473153352 KK Annotated Anodyne COCCOCCOCCOCCN(C)c1ccc(C=C2CC(=Cc3ccc(N(C)CCOCCOCCOCCOC)cc3)C2)cc1 ZINC000473153364 KK Annotated Clean Cc1ccc2c(c1)c(-c1nn[nH]n1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153369 KK Annotated Anodyne CCCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCc4nc(C)c(C)nc4C)c4ccccc4)ccc23)cc1 ZINC000473153396 KK Annotated Mild CCCCCCOC(=O)N=C(N)c1ccc(C[C@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCc4nc(C)c(C)nc4C)c4ccccc4)ccc23)cc1 ZINC000473153405 KK Annotated Mild Cc1ccc2c(c1)c(C(N)=O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153422 KK Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)C)[C@@H]1Cc1ccc(C(N)=NC(=O)OC(C)C)cc1)c1ccccc1 ZINC000473153444 KK Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)C)[C@H]1Cc1ccc(C(N)=NC(=O)OC(C)C)cc1)c1ccccc1 ZINC000473153453 KK Annotated Mild Cc1ccc2c(c1)c(C)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153630 KK Annotated Clean Cc1ccc2c(c1)c(/C=C/C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153685 KK Annotated Anodyne CCCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCC)c4ccccc4)ccc23)cc1 ZINC000473153687 KK Annotated Mild CCCCCCOC(=O)N=C(N)c1ccc(C[C@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCC)c4ccccc4)ccc23)cc1 ZINC000473153688 KK Annotated Mild CCCCC[C@H](Br)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O ZINC000473153898 KK Annotated Reactive CCCCC[C@@H](Br)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O ZINC000473153899 KK Annotated Reactive Cc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000473153906 KK Annotated Anodyne Cc1ccc2c(c1)cc1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153921 KK Annotated Anodyne C=C(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(OC/C=C/CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c(OC)c1 ZINC000473153925 KK Annotated Mild Cc1ccc2c(c1)c(C(F)(F)F)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153944 KK Annotated Anodyne S=C(Nc1cccc(Br)c1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1cccc(Br)c1 ZINC000473153988 KK Annotated Reactive O=C1N(c2cnc(OCC3CCCC3)c(Cl)c2)c2cc3onc(NS(=O)(=O)C4CC4)c3cc2C12CC2 ZINC000473154071 KK Annotated Anodyne Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1ccc(F)cc1)C3 ZINC000473154078 KK Annotated Anodyne Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(C(F)(F)F)c1)C3 ZINC000473154243 KK Annotated Anodyne Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(Cl)c1)C3 ZINC000473154247 KK Annotated Anodyne Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3ccc4c(C)ccc(F)c4n3)c(Cl)c2)n1 ZINC000473154256 KK Annotated Anodyne Cc1cccc([C@@]2(NC(=O)c3c(Cl)cc(-n4cnc(C)n4)cc3Cl)CCc3nn4cc(C)ccc4c3C2)c1 ZINC000473154283 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473154317 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2CC(C)(C)C[C@H]3C4=CC[C@@H]5[C@@]6(C)C=C[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)C[C@@H](O)[C@@]23CO)[C@H](O)[C@H]1OC(=O)/C(C)=C\C ZINC000473154326 KK Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)(C)C)[C@H]1Cc1ccc(C(N)=NC(=O)OC(C)(C)C)cc1)c1ccccn1 ZINC000473154339 KK Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)(C)C)[C@@H]1Cc1ccc(C(N)=NC(=O)OC(C)(C)C)cc1)c1ccccn1 ZINC000473154340 KK Annotated Mild CCCc1cnc(N)c(C/N=C(/NC(=O)c2ccc(Cl)cc2)Nc2ccc(N(C(=O)c3ccccc3)c3ccccc3)cc2)n1 ZINC000473154356 KK Annotated Mild CCS(=O)(=O)N(CC(=O)OC)c1ccc(CN(c2ccc(CN(Cc3cccc(Cl)c3)S(C)(=O)=O)cc2)S(=O)(=O)Cc2ccccc2)cc1 ZINC000473154373 KK Annotated Anodyne CCCc1cnc(N)c(C/N=C(/NC#N)Nc2ccc(N(C(=O)c3ccccc3)c3ccccc3)cc2)n1 ZINC000473154381 KK Annotated Mild COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCN3C(=O)C(=O)c4cc(Br)ccc43)nn2)c(OC)c1 ZINC000473154395 KK Annotated Mild Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3ccc4nc(C)[nH]c4c3)c(Cl)c2)n1 ZINC000473154408 KK Annotated Anodyne [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN(CCNc4ccnc5cc(Cl)ccc45)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 ZINC000473154541 KK Annotated Reactive Cn1cc(-c2cnc3nc(OCc4cc(F)c(Oc5ccc(C(F)(F)F)nc5)c(F)c4)ccn23)cn1 ZINC000473154594 KK Annotated Anodyne COCCOCCOCCOCCOCCN(C)c1ccc(C=C2CC(=Cc3ccc(N(C)CCOCCOCCOCCOCCOC)cc3)C2)cc1 ZINC000473154607 KK Annotated Clean Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3nc(O)c4c(C)ccc(F)c4n3)c(Cl)c2)n1 ZINC000473154620 KK Annotated Anodyne FC(F)(F)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000473154646 KK Annotated Reactive Cc1ccc2c(c1)c(/C=N/O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473154669 KK Annotated Mild Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(Cl)c(Cl)c1 ZINC000473154771 KK Annotated Anodyne C1=C(c2ccc3c(c2)CN(Cc2ccccc2)CO3)COc2cc3c(cc21)CN(Cc1ccccc1)CO3 ZINC000473154772 KK Annotated Anodyne O=C1O/C(=C\Cn2cnc3ccn(C/C=C4\OC(=O)C(OCc5ccccc5)=C4OCc4ccccc4)c3c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473154795 KK Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OCC(C)C)[C@@H]1Cc1ccc(C(N)=NC(=O)OCC(C)C)cc1)c1ccccn1 ZINC000473154826 KK Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OCC(C)C)[C@H]1Cc1ccc(C(N)=NC(=O)OCC(C)C)cc1)c1ccccn1 ZINC000473154827 KK Annotated Mild COc1ccc2[nH]c3c(c(=NCCCCNC(=O)[C@@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473154885 KK Annotated Anodyne COc1ccc2[nH]c3c(c(=NCCCCNC(=O)[C@]4(C)CCc5c(C)c(O)c(C)c(C)c5O4)c2c1)CCCC3 ZINC000473154886 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccs2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473154913 KK Annotated Mild Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnn3)cc2Cl)(c2ccccc2)CC1 ZINC000473154933 KK Annotated Anodyne CCCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCc4nc(C)c(C)nc4C)c4ccccn4)ccc23)cc1 ZINC000473154963 KK Annotated Mild CCCCCCOC(=O)N=C(N)c1ccc(C[C@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCc4nc(C)c(C)nc4C)c4ccccn4)ccc23)cc1 ZINC000473154964 KK Annotated Mild Cc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C)cc2)cc1 ZINC000473154974 KK Annotated Reactive CCN(CC)c1ccc(/C=C2\CC/C(=C\c3ccc(N(CCOCCOCCOCCOCCOC)CCOCCOCCOCCOCCOC)cc3)C2=O)cc1 ZINC000473155028 KK Annotated Mild Cc1ccc2c(c1)c(C1CC1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473155056 KK Annotated Clean CCCCCCCCCCCCN1C(=O)C=C(Br)C1=C(Br)Br ZINC000473155060 KK Annotated Mild COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473155073 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2cccs2)[C@@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473155074 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473155075 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2cccs2)[C@@H](C(=O)c2ccc(Cl)cc2)S3)cc(OC)c1OC ZINC000473155076 KK Annotated Anodyne O=C1O/C(=C\Cn2cc(I)c3c(Cl)ncnc32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473155087 KK Annotated Anodyne CC(=O)Nc1c(Cl)cc(CNC(=N)NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2c2ccccc2)cc1Cl ZINC000473155132 KK Annotated Anodyne Fc1ccc(Oc2c(F)cc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2F)cc1C(F)(F)F ZINC000473155166 KK Annotated Anodyne Cc1ccc2c(c1)c(C#N)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473155180 KK Annotated Mild CCOP(=O)(OCC)[C@H](Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000473155198 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(C)(C)C ZINC000473155199 KK Annotated Anodyne Cc1ccc2c(c1)c(C(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnc(C)n3)cc2Cl)(c2ccccc2)CC1 ZINC000473155208 KK Annotated Anodyne CCN(CC)c1ccc(C=C2CC(=Cc3ccc(N(CCOCCOCCOCCOC)CCOCCOCCOCCOC)cc3)C2)cc1 ZINC000473155257 KK Annotated Clean COc1cc(/C=C/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473155269 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(COc3ccn4c(-c5cncnc5)cnc4n3)cc2C(F)(F)F)ccc1Cl ZINC000473155295 KK Annotated Anodyne Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)ccc1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000473155298 KK Annotated Anodyne CCCCCCCCCC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O ZINC000473155987 KK Annotated Mild Cc1ccc2c(c1)c([C@H](O)C(F)(F)F)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473156001 KK Annotated Anodyne Cc1ccc2c(c1)c([C@@H](O)C(F)(F)F)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473156010 KK Annotated Anodyne CCCCCCOC(=O)N=C(N)c1ccc(C[C@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc23)cc1 ZINC000473156141 KK Annotated Mild CCCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2NCCn3c2nc2cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc23)cc1 ZINC000473156142 KK Annotated Mild CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)CC1c2cccc(O)c2C(=O)c2c(O)cccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000473156145 KK Annotated Anodyne Fc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(F)c2)c1 ZINC000473156147 KK Annotated Reactive CCCCCCOC(=O)N=C(N)c1ccc(C[C@H]2c3nc4cc(C(=O)N(CCC(=O)OCC)c5ccccn5)ccc4n3CCN2C(=O)OCCCCCC)cc1 ZINC000473156179 KK Annotated Mild CCCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2c3nc4cc(C(=O)N(CCC(=O)OCC)c5ccccn5)ccc4n3CCN2C(=O)OCCCCCC)cc1 ZINC000473156183 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccc(Cl)cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473156972 KK Annotated Mild O=C1O/C(=C\Cn2cnc3c(Cl)c(F)nc(F)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473157048 KK Annotated Anodyne O=C1O/C(=C\Cn2cnc3ncc(Br)c-3c2)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473157136 KK Annotated Anodyne Cc1ccc(S(=O)(=O)OCCCO[C@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1 ZINC000473157221 KK Annotated Mild Cc1ccc(S(=O)(=O)OCCCO[C@@H]2Cn3cc(C=O)c4ccc5c6ccccc6n(c5c43)C2)cc1 ZINC000473157225 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccc(Br)cc2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473157229 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473157232 KK Annotated Mild [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN(CCC(C)C)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 ZINC000473157274 KK Annotated Reactive Cc1ccc2c3c(nn2c1)CC[C@](NC(=O)c1c(Cl)cc(-n2cnc(C)n2)cc1Cl)(c1cccc(F)c1)C3 ZINC000473158155 KK Annotated Anodyne O=C1O/C(=C\Cn2cnc3cncc(Br)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473158199 KK Annotated Anodyne CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OCc2ccccc2)[C@@H]1Cc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1)c1ccccn1 ZINC000473158325 KK Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OCc2ccccc2)[C@H]1Cc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1)c1ccccn1 ZINC000473158340 KK Annotated Mild COc1ncc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cn1 ZINC000473158396 KK Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(SC(F)(F)F)cc1 ZINC000473159055 KK Annotated Anodyne CN(C)C[C@@]1(O)CC[C@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473159062 KK Annotated Anodyne CN(CCO)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473159082 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159089 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@H](N(C)C)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159091 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159092 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CC[C@H](O)C5)CC4)c3c2)cc(Cl)c1O ZINC000473159096 KK Annotated Anodyne CN(CCO)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473159098 KK Annotated Anodyne COc1cc([C@H](C)n2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000473159099 KK Annotated Anodyne COc1cc([C@@H](C)n2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)cc1 ZINC000473159101 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN(C)CCO)CC4)c3c2)cc(Cl)c1O ZINC000473159155 KK Annotated Anodyne CN(C)[C@@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473159159 KK Annotated Anodyne CCN(CC)c1ccc(C=C2CC(=Cc3ccc(N(CCOCCOCCOCCOCCOC)CCOCCOCCOCCOCCOC)cc3)C2)cc1 ZINC000473159162 KK Annotated Clean CN(C)[C@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473159164 KK Annotated Anodyne O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000473159165 KK Annotated Reactive COc1cc([C@H](C)n2cnc3cc(-c4cnn(C)c4)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159166 KK Annotated Anodyne COc1cc([C@@H](C)n2cnc3cc(-c4cnn(C)c4)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159169 KK Annotated Anodyne CN(C)C[C@@]1(O)CC[C@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473159172 KK Annotated Anodyne CN(C)[C@@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473159174 KK Annotated Anodyne CN(C)[C@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473159176 KK Annotated Anodyne Cc1ccc2c(c1)c(CC(=O)O)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473159188 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@H](O)C2)CC1)C1CC1 ZINC000473159195 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](O)C2)CC1)C1CC1 ZINC000473159200 KK Annotated Anodyne COc1cc([C@H](C)n2cnc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159204 KK Annotated Anodyne COc1cc([C@@H](C)n2cnc3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159206 KK Annotated Anodyne COc1cc([C@@H](C)n2cnc3cc(-c4ccc(F)cc4)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159231 KK Annotated Anodyne COc1cc([C@H](C)n2cnc3cc(-c4ccc(F)cc4)ccc32)ccc1OCc1ccc(C(F)(F)F)nc1 ZINC000473159234 KK Annotated Anodyne CO[C@@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473159256 KK Annotated Anodyne CO[C@H]1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)C1 ZINC000473159260 KK Annotated Anodyne CN1CCN(C[C@@H]2CC[C@@H](N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)CC2)CC1 ZINC000473159271 KK Annotated Anodyne CCCCCOC(=O)N=C(N)c1ccc(C[C@H]2c3nc4cc(C(=O)N(CCC(=O)OCC)c5ccccn5)ccc4n3CCN2C(=O)OCCCCC)cc1 ZINC000473159281 KK Annotated Mild COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000473159282 KK Annotated Anodyne CCCCCOC(=O)N=C(N)c1ccc(C[C@@H]2c3nc4cc(C(=O)N(CCC(=O)OCC)c5ccccn5)ccc4n3CCN2C(=O)OCCCCC)cc1 ZINC000473159291 KK Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)C)[C@H]1Cc1ccc(C(N)=NC(=O)OC(C)C)cc1)c1ccccn1 ZINC000473159404 KK Annotated Mild CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc1n2CCN(C(=O)OC(C)C)[C@@H]1Cc1ccc(C(N)=NC(=O)OC(C)C)cc1)c1ccccn1 ZINC000473159419 KK Annotated Mild O=C1O/C(=C\Cn2cnc3c(F)nc(F)c(Cl)c32)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000473159487 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc(Br)c2)ccc1OCc1cn(CCN2C(=O)C(=O)c3cc(Br)ccc32)nn1 ZINC000473159648 KK Annotated Mild Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3cnc4[nH]c(C)cc4c3)c(Cl)c2)n1 ZINC000473159774 KK Annotated Anodyne Fc1cc(COc2ccn3c(-c4cncnc4)cnc3n2)cc(F)c1Oc1ccc(Cl)c(C(F)(F)F)c1 ZINC000473159788 KK Annotated Anodyne Fc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(F)cc2)cc1 ZINC000473159858 KK Annotated Reactive [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)[C@@H](c4ccccc4)N(CCC(C)C)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 ZINC000473160495 KK Annotated Reactive [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)[C@H](c4ccccc4)N(CCC(C)C)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 ZINC000473160496 KK Annotated Reactive COc1c(Cl)cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3n2)cc1Cl ZINC000473164856 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473164923 KK Annotated Anodyne N[C@@H]1CC[C@@H](n2cc(N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)CC1 ZINC000473164931 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CNCCF)CC1)C1CC1 ZINC000473164969 KK Annotated Anodyne N[C@@H]1CCCN(c2ccc(N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473164996 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CCN(C)C)CC1 ZINC000473165008 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(C(F)(F)F)cc2)S3)cc(OC)c1OC ZINC000473165182 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)S3)cc(OC)c1OC ZINC000473165184 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(C(F)(F)F)cc2)S3)cc(OC)c1OC ZINC000473165186 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)S3)cc(OC)c1OC ZINC000473165187 KK Annotated Anodyne CC[C@H](C)C(=O)[C@@]12C(=O)C3=C(O[C@@H](C(C)(C)O)C3)[C@@](C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000473165235 KK Annotated Mild CC[C@H](C)C(=O)[C@@]12C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@@](C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000473165239 KK Annotated Mild CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473165246 KK Annotated Anodyne O=C(c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CNCCF)CC1)C1CC1 ZINC000473165267 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473165289 KK Annotated Anodyne C=C(CCl)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000473165290 KK Annotated Reactive CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(CN2CCCC2)cc1 ZINC000473165323 KK Annotated Anodyne CN[C@@H]1CC[C@@H](n2cc(N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)CC1 ZINC000473165333 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](O)C2)CC1 ZINC000473165342 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@H](O)C2)CC1 ZINC000473165343 KK Annotated Anodyne COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C/[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1Cl ZINC000473165380 KK Annotated Anodyne C=C(CCl)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000473165417 KK Annotated Reactive FC(F)(F)c1cc(Oc2ccc(CCOc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl ZINC000473165424 KK Annotated Anodyne C/C1=C\CC(C)(C)/C=C/C(=O)N(Cc2cn(CCOc3ccc(C(=O)/C=C/c4ccc(C)cc4)c(O)c3)nn2)/C(C)=C/CC1 ZINC000473165439 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCCCN2C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/2C)cc1 ZINC000473166229 KK Annotated Mild C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000473166233 KK Annotated Anodyne COc1cccc(/C=C/C(=O)c2ccc(OCCCN3C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/3C)cc2)c1 ZINC000473166244 KK Annotated Mild COc1ccc2[nH]cc(/C=N/Nc3nc(-c4cc5cc(Br)cc(Br)c5oc4=O)cs3)c2c1 ZINC000473166251 KK Annotated Mild COc1ccc2c(OC[C@@H]3C[C@H]4C(=O)N(C)CCCC/C=C/[C@@H]5C[C@@]5(C(=O)NS(=O)(=O)C5(C)CC5)NC(=O)N34)cc(-c3nc(C(C)C)cs3)nc2c1C ZINC000473167138 KK Annotated Anodyne COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c2c1C[C@H](C/C=C/c1ccc(O)cc1)[C@@H](c1ccc(O)cc1)O2 ZINC000473167199 KK Annotated Anodyne COc1cc(O)c(C(=O)CCc2ccc(O)cc2)c2c1C[C@@H](C/C=C/c1ccc(O)cc1)[C@H](c1ccc(O)cc1)O2 ZINC000473167208 KK Annotated Anodyne CC[C@H](C)C(=O)[C@]12C(=O)[C@](C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C1=C2O[C@@H](C(C)(C)O)C1 ZINC000473167394 KK Annotated Mild CC[C@H](C)C(=O)[C@]12C(=O)[C@](C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1 ZINC000473167397 KK Annotated Mild COc1ccc(-c2cnc3nc(OCc4ccc(Oc5ccc(Cl)c(C(F)(F)F)c5)cc4)ccn23)cc1 ZINC000473167422 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccc(OCCn3cc(CN4C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/4C)nn3)cc2O)cc(OC)c1OC ZINC000473167937 KK Annotated Mild O=C(N[C@@H](CCCn1cc(-c2ccc(I)cc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000473168046 KK Annotated Anodyne COc1cc(-c2nccc3nc(-c4cccc5ccn(S(=O)(=O)c6ccccc6)c45)[nH]c23)cc(OC)c1OC ZINC000473168055 KK Annotated Anodyne COc1ccccc1/C=C/C(=O)c1ccc(OCCn2cc(CN3C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/3C)nn2)cc1O ZINC000473168091 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCCCN3C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/3C)cc2)cc1 ZINC000473168171 KK Annotated Mild COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2cccc4ccccc24)S3)cc(OC)c1OC ZINC000473168273 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2cccc4ccccc24)S3)cc(OC)c1OC ZINC000473168279 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2cccc4ccccc24)S3)cc(OC)c1OC ZINC000473168284 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2cccc4ccccc24)S3)cc(OC)c1OC ZINC000473168287 KK Annotated Anodyne C/C=C1/CN[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@H]1[C@@H]2C(=O)OC ZINC000473168850 KK Annotated Anodyne C/C1=C\CC(C)(C)/C=C/C(=O)N(Cc2cn(CCOc3ccc(C(=O)/C=C/c4ccc(C(C)C)cc4)c(O)c3)nn2)/C(C)=C/CC1 ZINC000473168852 KK Annotated Mild O=c1c2ccc(Cl)cc2sc2c(N3CCC(CCCC4CCNCC4)CC3)nc3ccccc3c12 ZINC000473169041 KK Annotated Bother O=C(N[C@@H](CCCn1cc(-c2ccc(Br)cc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000473169064 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@H]4C[C@H](CC)[C@H]3[C@H]5C4)C[C@H]1[C@@H]2C(=O)OC ZINC000473169092 KK Annotated Anodyne O=c1oc2c(Br)cc(Br)cc2cc1-c1csc(N/N=C/c2c[nH]c3ccccc23)n1 ZINC000473169284 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCCCN3C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/3C)cc2)cc1OCCCN1CCOCC1 ZINC000473169942 KK Annotated Mild O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@@H](c1ccc(O)cc1)[C@H](C/C=C/c1ccc(O)cc1)C2 ZINC000473169985 KK Annotated Anodyne O=C(CCc1ccccc1)c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](C/C=C/c1ccc(O)cc1)C2 ZINC000473169986 KK Annotated Anodyne CCn1cc(/C=N/Nc2nc(-c3cc4cc(Br)cc(Br)c4oc3=O)cs2)c2ccccc21 ZINC000473170118 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)N=C(N4)N56)[C@@H](C)N=C(N1)N23 ZINC000473170775 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(CSc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl ZINC000473170921 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(CCCOc3ccn4c(-c5cncnc5)cnc4n3)cc2)ccc1Cl ZINC000473170931 KK Annotated Anodyne [N-]=[N+]=NC[C@H]1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)N1C(=O)Nc1cn(C(=N)O)c2ccccc12 ZINC000473171435 KK Annotated Clean C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cc4c(cc3OC)C(=O)[C@@]3(CCN5C[C@H]6C[C@H](CC)[C@H]5[C@H]3C6)N4)C[C@H]1[C@@H]2C(=O)OC ZINC000473171747 KK Annotated Anodyne Cc1[nH]c2ccccc2c1/C=N/Nc1nc(-c2cc3cc(Br)cc(Br)c3oc2=O)cs1 ZINC000473171758 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCCn3cc(CN4C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/4C)nn3)cc2O)cc1OCCCN1CCOCC1 ZINC000473171764 KK Annotated Mild COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)c2ccc(-c4ccccc4)cc2)S3)cc(OC)c1OC ZINC000473171822 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)c2ccc(-c4ccccc4)cc2)S3)cc(OC)c1OC ZINC000473171831 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@@H](C(=O)c2ccc(-c4ccccc4)cc2)S3)cc(OC)c1OC ZINC000473171832 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@@H](C(=O)c2ccc(-c4ccccc4)cc2)S3)cc(OC)c1OC ZINC000473171835 KK Annotated Anodyne C/C1=C\CC(C)(C)/C=C/C(=O)N(CCCOc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)/C(C)=C/CC1 ZINC000473172372 KK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(-c2cn(CCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)nn2)cc1 ZINC000473172450 KK Annotated Anodyne COc1cccc(/C=C/C(=O)c2ccc(OCCn3cc(CN4C(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C/4C)nn3)cc2O)c1 ZINC000473172453 KK Annotated Mild O=C(N[C@@H](CCCn1cc(-c2ccc(Cl)cc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000473172558 KK Annotated Anodyne COc1cc(-c2nccc3nc(-c4cccc5c4ccn5S(=O)(=O)c4ccccc4)[nH]c23)cc(OC)c1OC ZINC000473172597 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(O[C@@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000473172600 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](C=C3[C@@H]4CC[C@H]5Cc6nc7c(nc6C[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C[C@@H]2CC[C@H]3C4=C[C@@H]5O[C@]6(O[C@](C)(CO)C[C@H]6O)[C@@H](C)[C@]5(O)[C@@]4(C)[C@H](O)C[C@@H]3[C@@]2(C)C7)O[C@]12CCC(C)(C)O2 ZINC000473172609 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@@H]2CO)CC1 ZINC000473179703 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](N)C2)CC1 ZINC000473179704 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@H](N)C2)CC1 ZINC000473179705 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473179708 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCN(C)CC2)CC1 ZINC000473179713 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](N)C2)CC1 ZINC000473179716 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@H](N)C2)CC1 ZINC000473179717 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCNCC2)CC1 ZINC000473179718 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CCC[C@@H](N)C5)CC4)c3c2)cc(Cl)c1O ZINC000473179720 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CCC[C@H](N)C5)CC4)c3c2)cc(Cl)c1O ZINC000473179721 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@H](N)C2)CC1 ZINC000473179727 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@@H](N)C2)CC1 ZINC000473179728 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCN(C)CC2)CC1 ZINC000473179741 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CCC[C@@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179743 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CCC[C@H]5CO)CC4)c3c2)cc(Cl)c1O ZINC000473179744 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(C)=O)c(=N[C@@H]4CC[C@@H](CN5CCN(C)CC5)CC4)c3c2)cc(Cl)c1O ZINC000473179746 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@H]2CO)CC1 ZINC000473179770 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@@H]2CO)CC1 ZINC000473179773 KK Annotated Anodyne CCN(CC)C[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1 ZINC000473179788 KK Annotated Anodyne CCN(CC)C[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473179790 KK Annotated Anodyne N[C@@H](O)c1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1 ZINC000473180335 KK Annotated Anodyne N[C@H](O)c1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)O)c1 ZINC000473180346 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@H](CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473182561 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3cc(C(F)(F)F)c(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473182926 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@H]2CO)CC1 ZINC000473182929 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](C(=O)N(C)C)CC1 ZINC000473183000 KK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473183001 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@H](N)C2)CC1 ZINC000473183011 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCC[C@@H](N)C2)CC1 ZINC000473183012 KK Annotated Anodyne CC(=O)c1c[nH]c2cc(C)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473183025 KK Annotated Anodyne CC(=O)c1c[nH]c2cc(C)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](N)C2)CC1 ZINC000473183036 KK Annotated Anodyne CC(=O)c1c[nH]c2cc(C)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CC[C@H](N)C2)CC1 ZINC000473183042 KK Annotated Anodyne CCN(c1cc(-c2ccc(C(=O)NCCCO)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473183082 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3cc(C(F)(F)F)c(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473183156 KK Annotated Anodyne CCN(CC)CCO[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473183196 KK Annotated Anodyne CCN(CC)CCO[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473183237 KK Annotated Anodyne CCN(c1cc(-c2ccc(C(=O)N3CCC3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473183264 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000473183275 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000473183375 KK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473183376 KK Annotated Anodyne CC(=O)c1c(C)[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473183399 KK Annotated Anodyne CCN(C)C[C@@H]1CC[C@@H](N=c2c(C(C)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473183400 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CCC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)nc23)CC1 ZINC000473194372 KK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@H](N)C2)nc1 ZINC000473194435 KK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@@H](N)C2)nc1 ZINC000473194436 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CCC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 ZINC000473194459 KK Annotated Anodyne CN(CC#N)C[C@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473194485 KK Annotated Mild CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN2CC[C@@H](F)C2)CC1 ZINC000473194492 KK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473194495 KK Annotated Anodyne CCC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473194498 KK Annotated Anodyne CC(C)C(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CCC[C@@H](N)C2)nc1 ZINC000473194814 KK Annotated Anodyne N[C@H]1CCCN(c2ccc(N=c3c(C(=O)C4CCC4)c[nH]c4ccc(-c5cc(F)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473194889 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C(C)(C)C)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473197538 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCCN2)CC1 ZINC000473197679 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CCCC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473197772 KK Annotated Anodyne C[C@@H](N)C(=O)N[C@@H]1CC[C@@H](N=c2c(C(=O)C(C)(C)C)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473197784 KK Annotated Anodyne C[C@H](N)C(=O)N[C@@H]1CC[C@@H](N=c2c(C(=O)C(C)(C)C)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473197791 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](C(=O)NCCN(C)C)CC1 ZINC000473197797 KK Annotated Anodyne CS(=O)(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473197852 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000473197877 KK Annotated Anodyne CC(=O)c1c[nH]c2cc(F)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473197878 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](C(=O)N2CCN(C)CC2)CC1 ZINC000473197882 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000473198576 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@H](N)C(C)C)CC1 ZINC000473198577 KK Annotated Anodyne C[C@@H](N)C(=O)N[C@@H]1CC[C@@H](N=c2c(C(=O)C(C)(C)C)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473198578 KK Annotated Anodyne C[C@H](N)C(=O)N[C@@H]1CC[C@@H](N=c2c(C(=O)C(C)(C)C)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473198579 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C)c3ccccc3)C2=O)cc1 ZINC000473198584 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](C(=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c3ccccc3)C2=O)cc1 ZINC000473198585 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c3ccccc3)C2=O)cc1 ZINC000473198586 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](C(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C)c3ccccc3)C2=O)cc1 ZINC000473198587 KK Annotated Anodyne COc1cc(-c2cc3c(=N[C@@H]4CC[C@@H](CN5CCCC5)CC4)c(C(C)=O)c[nH]c3cc2F)cc(Cl)c1O ZINC000473198588 KK Annotated Anodyne CC(=O)c1c[nH]c2cc(F)c(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473198599 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000473198709 KK Annotated Anodyne CC(=O)c1c[nH]c2cc(F)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473198770 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CCCC4)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473199099 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C(C)(C)C)c[nH]c3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1 ZINC000473199359 KK Annotated Anodyne CS(=O)(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1=N[C@@H]1CC[C@@H](CN2CCCC2)CC1 ZINC000473199389 KK Annotated Anodyne CCN(CC)[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1 ZINC000473200833 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=NC[C@@H]4CC[C@@H](N(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200839 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)CC(C)C)c(=N[C@@H]4CC[C@@H](N(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473200890 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](N5CCCC5)CC4)c3c2)cc(Cl)c1O ZINC000473200915 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473201003 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@@H](CN(C)C)CC4)c3c2)cc(Cl)c1O ZINC000473201020 KK Annotated Anodyne CN(C)[C@@H]1CC[C@@H](CN=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473201100 KK Annotated Anodyne CCCS(=O)(=O)N(CCOc1ccc2c(c1)[C@@H](Cc1cccc(Cl)c1)[C@@H](NC(=O)OCC)CC2)C1CC1 ZINC000473210154 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(S(C)(=O)=O)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1 ZINC000473210196 KK Annotated Anodyne COc1ccc(COc2ccc(Cn3c(=N)[nH]c4cc(-c5ccc(P(C)(C)=O)nc5)ccc43)cc2OC)cc1 ZINC000473210249 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3ccc(O)c(OC(F)(F)F)c3)nc2c1=N[C@@H]1CC[C@@H](CN(C)C)CC1 ZINC000473213149 KK Annotated Anodyne CN(C)C[C@@H]1CC[C@@H](N=c2c(C(=O)C3CC3)c[nH]c3ccc(-c4cc(Cl)c(O)c(Cl)c4)nc23)CC1 ZINC000473213151 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(OCCN(C)C)nc1 ZINC000473213418 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CC[C@@H](N(C)C)C2)nc1 ZINC000473213453 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(N2CC[C@H](N(C)C)C2)nc1 ZINC000473213457 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CCN(C)C)CC1 ZINC000473213472 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1ccc(CN2CCN(C)CC2)cc1 ZINC000473213486 KK Annotated Anodyne N[C@H]1CCCN(c2ccc(N=c3c(C(=O)C4CC4)c[nH]c4ccc(-c5cc(Cl)c(O)c(Cl)c5)nc34)cn2)C1 ZINC000473213488 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=Nc1cccc(CCN2CCCC2)c1 ZINC000473213497 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(F)c(O)c(Cl)c3)nc2c1=Nc1cccc(CCN2CCCC2)c1 ZINC000473213504 KK Annotated Anodyne CC(=O)c1c[nH]c2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1=N[C@@H]1CC[C@@H](CN2CCOCC2)CC1 ZINC000473213511 KK Annotated Anodyne CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)nc2c1N1CCC(CCN2CCCC2)CC1 ZINC000473213527 KK Annotated Anodyne O=C(O)CN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)CC1 ZINC000473215174 KK Annotated Anodyne O=C(O)CN1CCC[C@@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 ZINC000473215197 KK Annotated Anodyne O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 ZINC000473215206 KK Annotated Anodyne O=C(O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215209 KK Annotated Anodyne Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215228 KK Annotated Anodyne O=C(O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215230 KK Annotated Anodyne O=C(O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215237 KK Annotated Anodyne O=C(O)CCN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215238 KK Annotated Anodyne COc1cc(Cn2c(=N)[nH]c3cc(-c4cnn(C)c4)cnc32)ccc1OCc1ccc(C(F)(F)C(F)(F)F)cc1 ZINC000473215247 KK Annotated Anodyne O=C(O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215284 KK Annotated Anodyne O=C(O)CN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 ZINC000473215312 KK Annotated Anodyne O=C(O)CCN1CCC(c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)CC1 ZINC000473215329 KK Annotated Anodyne O=C(O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 ZINC000473215337 KK Annotated Anodyne COc1ccc(COc2ccc(Cn3cnc4cc(N5CCC(C(C)(C)N)CC5)ccc43)cc2OC)cn1 ZINC000473215371 KK Annotated Anodyne NC(=O)CN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215423 KK Annotated Anodyne COc1cc(-c2ccc3[nH]cc(C(=O)C4CC4)c(=N[C@@H]4CC[C@H](CN(C)CC#N)CC4)c3c2)cc(Cl)c1O ZINC000473215453 KK Annotated Mild O=C(O)CCN1CC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215474 KK Annotated Anodyne O=C(O)CN1CC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215480 KK Annotated Anodyne O=C(O)CCN1CCC(Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)CC1 ZINC000473215487 KK Annotated Anodyne O=C(O)CN1CCCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215493 KK Annotated Anodyne O=C(O)CN1CCCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215494 KK Annotated Anodyne O=C(O)CN1CCC(c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)CC1 ZINC000473215498 KK Annotated Anodyne CCN(CC)C(=O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215499 KK Annotated Anodyne O=C(O)CN1CCC/C(=C2/N(CC(=O)O)c3ccccc3N2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215507 KK Annotated Anodyne O=C(O)CCN1CCC[C@@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2C1CCCCCCCCC1 ZINC000473215515 KK Annotated Anodyne NC(=O)CN1CCC[C@H]1c1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215516 KK Annotated Anodyne O=C(O)CN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215521 KK Annotated Anodyne O=C(O)CCN1CC(c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473215527 KK Annotated Anodyne COCCOCCOCCN1CCC[C@@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 ZINC000473215529 KK Annotated Anodyne COCCOCCOCCN1CCC[C@H](c2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@@H]2C[C@H]3CCC[C@H](C3)C2)C1 ZINC000473215530 KK Annotated Anodyne CS(=O)(=O)NCCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473215532 KK Annotated Anodyne CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000473220502 KK Annotated Anodyne CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)OC(C)(C)C)cc2)cc1 ZINC000473220513 KK Annotated Anodyne CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc3c(c2)CN=N3)cc1 ZINC000473220568 KK Annotated Anodyne CNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc3c(c2)CN=N3)cc1 ZINC000473220575 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473220603 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473220624 KK Annotated Anodyne CC(=O)c1ccc(Cl)c(F)c1/C=C/C(=O)N1CCc2c(-c3ccc(C(N)=O)cc3)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)O)cc1 ZINC000473220716 KK Annotated Anodyne CN(C)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)O)cc2)cn1 ZINC000473220772 KK Annotated Anodyne CN(C)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)O)cc2)cn1 ZINC000473220788 KK Annotated Anodyne CN(C)CCNC(=O)c1ccc(-c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@H]3C(=O)Nc2ccc(C(=O)OCc3ccccn3)cc2)cc1 ZINC000473220810 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473227405 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473227416 KK Annotated Anodyne COc1cc(CN(C[C@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473227418 KK Annotated Anodyne COc1cc(CN(C[C@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473227420 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473227422 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473227423 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473227436 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473227445 KK Annotated Anodyne Cc1cc(CN(C[C@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473227446 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CSC1=O ZINC000473227452 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CSC1=O ZINC000473227463 KK Annotated Anodyne C[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473227481 KK Annotated Anodyne C[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473227483 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473227509 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228734 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228736 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228737 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228740 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3C)ccc1OCCN1C(=O)CCC1=O ZINC000473228750 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3c2ccc(Cl)c3C)ccc1OCCN1C(=O)CCC1=O ZINC000473228752 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCn1c(=O)ccn(C)c1=O ZINC000473228754 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228759 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228760 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1CCCN1C(=O)CCC1=O ZINC000473228761 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)c(C)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473228763 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)c(C)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473228764 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CSC1=O ZINC000473228769 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CSC1=O ZINC000473228770 KK Annotated Anodyne CC[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(CCCN2C(=O)CCC2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228771 KK Annotated Anodyne CC[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(CCCN2C(=O)CCC2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228772 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228774 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228775 KK Annotated Anodyne CC[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228780 KK Annotated Anodyne CC[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228781 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228788 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CSC1=O ZINC000473228798 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CSC1=O ZINC000473228799 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1C#CCN1C(=O)CCC1=O ZINC000473228801 KK Annotated Mild COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CCC1=O ZINC000473228803 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CCC1=O ZINC000473228804 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228807 KK Annotated Anodyne C[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228809 KK Annotated Anodyne C[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228810 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228813 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(C)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228814 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1CCCN1C(=O)CCC1=O ZINC000473228815 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1CCCN1C(=O)CCC1=O ZINC000473228816 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1[C@@H]1C[C@@H]1CN1C(=O)CCC1=O ZINC000473228819 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1[C@H]1C[C@@H]1CN1C(=O)CCC1=O ZINC000473228820 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1[C@@H]1C[C@H]1CN1C(=O)CCC1=O ZINC000473228821 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1[C@H]1C[C@H]1CN1C(=O)CCC1=O ZINC000473228822 KK Annotated Anodyne CC[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228828 KK Annotated Anodyne CC[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228829 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1CCCN1C(=O)CN(C)C1=O ZINC000473228831 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CN(C)C1=O ZINC000473228833 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1CCCN1C(=O)CN(C)C1=O ZINC000473228834 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1CCCN1C(=O)CCC1=O ZINC000473228836 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228893 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228894 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228895 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)c(C)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228897 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)c(C)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473228898 KK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(Cl)c2)[C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000473228905 KK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(Cl)c2)[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000473228915 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228920 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473228930 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228940 KK Annotated Anodyne CC[C@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(OC)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228948 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1/C=C/CN1C(=O)CCC1=O ZINC000473228951 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1/C=C/CN1C(=O)CCC1=O ZINC000473228953 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CSC1=O ZINC000473228959 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)COC1=O ZINC000473228961 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCCC1=O ZINC000473228966 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCCC1=O ZINC000473228967 KK Annotated Anodyne C[C@@H](c1ccc2c(c1)CCO2)N(Cc1ccc(CCCN2C(=O)CCC2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228969 KK Annotated Anodyne C[C@H](c1ccc2c(c1)CCO2)N(Cc1ccc(CCCN2C(=O)CCC2=O)c(Cl)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473228970 KK Annotated Anodyne CN1CC(=O)N(CCOc2ccc(CN(C[C@@H]3CC[C@@H](C(=O)O)CC3)[C@@H]3CCc4cc(Cl)ccc43)cc2Cl)C1=O ZINC000473228973 KK Annotated Anodyne CN1CC(=O)N(CCOc2ccc(CN(C[C@@H]3CC[C@@H](C(=O)O)CC3)[C@H]3CCc4cc(Cl)ccc43)cc2Cl)C1=O ZINC000473228974 KK Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229038 KK Annotated Anodyne Cc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229044 KK Annotated Anodyne CCc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229075 KK Annotated Anodyne CCc1cc(CN([C@H]2C[C@@H](C(=O)O)C2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473229076 KK Annotated Anodyne CC[C@@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)[C@H]1C[C@@H](C(=O)O)C1 ZINC000473229085 KK Annotated Anodyne CC[C@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)[C@H]1C[C@@H](C(=O)O)C1 ZINC000473229087 KK Annotated Anodyne N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@H](CCC(=O)N(C[C@@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233224 KK Annotated Anodyne N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@H](CCC(=O)N(C[C@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233225 KK Annotated Anodyne N=C1Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(C[C@H]1CCC(=O)N1)C1CCCCC1)C1CCCCC1 ZINC000473233226 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O ZINC000473233238 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CC2(CCCC2)CC1=O ZINC000473233245 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(C(F)(F)F)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473233275 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(C(F)(F)F)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473233278 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCC3)ccc1OCCN1C(=O)CCC1=O ZINC000473233295 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCC3)ccc1OCCN1C(=O)CCC1=O ZINC000473233297 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473233304 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O ZINC000473233314 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)c2ccccc2C1=O ZINC000473233317 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O ZINC000473233327 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)[C@H]2C[C@@H]2C1=O ZINC000473233329 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)[C@H]2C[C@H]2C1=O ZINC000473233335 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)[C@@H]2C[C@H]2C1=O ZINC000473233338 KK Annotated Anodyne Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 ZINC000473234886 KK Annotated Reactive Cc1c(O)c(CNCC(=O)OCc2ccccc2)c(C)c(C(=O)Oc2c(C)c(C)c(C(=O)Oc3c(C)c(C)c(C(=O)O)c(O)c3C)c(O)c2C)c1O ZINC000473234905 KK Annotated Clean CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(C)C)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O ZINC000473235125 KK Annotated Anodyne Cl[P@]12=NP(N3CCC4(CC3)OCCO4)(N3CCC4(CC3)OCCO4)=N[P@]3(Cl)=N[P@@]4(=N1)N(CCCN4Cc1ccccc1O3)Cc1ccccc1O2 ZINC000473235162 KK Annotated Reactive Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 ZINC000473235170 KK Annotated Reactive Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 ZINC000473235319 KK Annotated Reactive Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 ZINC000473235327 KK Annotated Reactive O=C(O)CCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473236387 KK Annotated Anodyne CS(=O)(=O)NCCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473236395 KK Annotated Anodyne O=C(O)CN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236398 KK Annotated Anodyne CS(=O)(=O)NCCN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473236402 KK Annotated Anodyne O=C(O)CN1CCCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236419 KK Annotated Anodyne O=C(O)CCN1CCC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236422 KK Annotated Anodyne CCN(CC)C(=O)CN1CCC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473236449 KK Annotated Anodyne Cn1ccnc1CN1CCOC[C@H]1Cc1nc2ccccc2n1[C@@H]1C[C@@H]2CCC[C@H](C1)N2[C@H]1C[C@H]2CCCC[C@H](C2)C1 ZINC000473236472 KK Annotated Anodyne O=C(O)CCN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473236495 KK Annotated Anodyne CCN(CC)C(=O)CN1CC[C@@H](Cc2nc3ccccc3n2[C@@H]2C[C@@H]3CCC[C@H](C2)N3[C@H]2C[C@H]3CCCC[C@H](C3)C2)C1 ZINC000473236520 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240692 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240693 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240703 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240704 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CCC(=O)C(=O)N[C@H](Cc3ccccc3)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240764 KK Annotated Anodyne CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N(CCC(=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OC(C)(C)C)C2=O)cc1 ZINC000473240767 KK Annotated Anodyne CCN(c1cc(-c2cccc3cccnc23)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243758 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473243775 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473243776 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473243791 KK Annotated Anodyne CCN(c1cc(-c2ccc(-c3nn[nH]n3)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243792 KK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000473243795 KK Annotated Anodyne CC(=O)N[C@H]1CC[C@@H](N(C)c2cc(-c3ccc(CN(C)C)cc3)cc(C(=O)NCc3c(C)cc(C)nc3O)c2C)CC1 ZINC000473243806 KK Annotated Anodyne Cc1ccc([C@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)C[C@@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000473243820 KK Annotated Anodyne Cc1ccc([C@@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(C)c2)C[C@@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000473243827 KK Annotated Anodyne CCN(c1cc(-c2cnn(C)c2C)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243843 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243875 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243879 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CCC1=O ZINC000473243880 KK Annotated Anodyne CCN(c1cc(-c2cnc(C)cn2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243881 KK Annotated Anodyne CCc1ccc([C@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)C[C@@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000473243892 KK Annotated Anodyne CCc1ccc([C@@H](C)N(Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)C[C@@H]2CC[C@@H](C(=O)O)CC2)cc1 ZINC000473243893 KK Annotated Anodyne COCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@@H](/C=N/CCOCCOCCOC)C(=O)C(O)=C4C(C)C)c(O)c12 ZINC000473243898 KK Annotated Mild COCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@H](/C=N/CCOCCOCCOC)C(=O)C(O)=C4C(C)C)c(O)c12 ZINC000473243905 KK Annotated Mild Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473243922 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CN(C)C1=O ZINC000473243929 KK Annotated Anodyne CCN(c1cc(-c2cscn2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473243954 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243975 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473243976 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473243977 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473243978 KK Annotated Anodyne Cc1cc2c(c(O)c1-c1c(C)cc3c(C(C)C)c(O)c(O)c(/C=N/N4CCN(C)CC4)c3c1O)[C@@H](/C=N/N1CCN(C)CC1)C(=O)C(O)=C2C(C)C ZINC000473243988 KK Annotated Mild Cc1cc2c(c(O)c1-c1c(C)cc3c(C(C)C)c(O)c(O)c(/C=N/N4CCN(C)CC4)c3c1O)[C@H](/C=N/N1CCN(C)CC1)C(=O)C(O)=C2C(C)C ZINC000473243996 KK Annotated Mild CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O ZINC000473244340 KK Annotated Anodyne C=CCN/C=C1\C(=O)C(O)=C(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)/C(=C/NCC=C)C(=O)C(O)=C4C(C)C)c(O)c21 ZINC000473244363 KK Annotated Mild O=C(O)[C@@H]1CC[C@@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000473244391 KK Annotated Anodyne O=C(O)[C@@H]1CC[C@@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000473244393 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473244409 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473244444 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473244457 KK Annotated Anodyne CCN(c1cc(-c2ccco2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244459 KK Annotated Anodyne CCN(c1cc(-c2ccncc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244475 KK Annotated Anodyne C[C@H](c1ccc(Cl)c(F)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473244479 KK Annotated Anodyne C[C@@H](c1ccc(Cl)c(F)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473244488 KK Annotated Anodyne CCN(c1cc(-c2cnc(C)nc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244490 KK Annotated Anodyne CCN(c1cc(-c2cn(C)nc2C)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244548 KK Annotated Anodyne CCN(c1cc(-c2ccc(C(F)(F)F)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244549 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1SCCN1C(=O)CCC1=O ZINC000473244563 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O ZINC000473244585 KK Annotated Anodyne COCCOCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@H](/C=N/CCOCCOCCOCCOC)C(=O)C(O)=C4C(C)C)c(O)c12 ZINC000473244586 KK Annotated Mild COCCOCCOCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@@H](/C=N/CCOCCOCCOCCOC)C(=O)C(O)=C4C(C)C)c(O)c12 ZINC000473244591 KK Annotated Mild CCN(c1cc(-c2cccnc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244612 KK Annotated Anodyne CCN(c1cc(-c2c(C)noc2C)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244642 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473244665 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473244668 KK Annotated Anodyne CCN(c1cc(-c2nccs2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244688 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473244925 KK Annotated Anodyne CCc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O ZINC000473244928 KK Annotated Anodyne CCN(c1cc(-c2ccc(S(C)(=O)=O)cc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473244952 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1SCCN1C(=O)CCC1=O ZINC000473244967 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473245017 KK Annotated Anodyne Cc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H](C)c2ccc(Cl)c(Cl)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473245021 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(OCCN2C(=O)CCC2=O)cc1)C[C@@H]1CC[C@@H](C(=O)O)CC1 ZINC000473245058 KK Annotated Anodyne CCN(c1cc(-c2ccsc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473245073 KK Annotated Anodyne COCCOC(C/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@H](/C=N/CC(OCCOC)OCCOC)C(=O)C(O)=C4C(C)C)c(O)c12)OCCOC ZINC000473245236 KK Annotated Mild COCCOC(C/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@@H](/C=N/CC(OCCOC)OCCOC)C(=O)C(O)=C4C(C)C)c(O)c12)OCCOC ZINC000473245241 KK Annotated Mild Brc1ccc(CNc2ccc3c(c2)[C@H]2c4cc(NCc5ccc(Br)cc5)ccc4[C@H](C3)N3CCC[C@@H]23)cc1 ZINC000473245299 KK Annotated Anodyne CCN(c1cc(-c2ccccc2)cc(C(=O)NCc2c(C)cc(C)nc2O)c1C)[C@@H]1CC[C@@H](N(C)C)CC1 ZINC000473245312 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@@H]2CCc3cc(Cl)c(F)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473245318 KK Annotated Anodyne COc1cc(CN(C[C@@H]2CC[C@@H](C(=O)O)CC2)[C@H]2CCc3cc(Cl)c(F)cc32)ccc1OCCN1C(=O)CCC1=O ZINC000473245319 KK Annotated Anodyne COCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@H](/C=N/CCOC)C(=O)C(O)=C4C(C)C)c(O)c12 ZINC000473245330 KK Annotated Mild COCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(c3O)[C@@H](/C=N/CCOC)C(=O)C(O)=C4C(C)C)c(O)c12 ZINC000473245331 KK Annotated Mild CCOC(=O)N1CCC(N/C=C2\C(=O)C(O)=C(C(C)C)c3cc(C)c(-c4c(C)cc5c(c4O)/C(=C/NC4CCN(C(=O)OCC)CC4)C(=O)C(O)=C5C(C)C)c(O)c32)CC1 ZINC000473245334 KK Annotated Mild Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cc(F)cc3c(CCCC(=O)O)c(C)n(CCCC(=O)O)c23)cc1 ZINC000473247085 KK Annotated Mild 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](OC(=O)c2cccnc2)CCC(=O)[C@H]13 ZINC000473247100 KK Annotated Anodyne CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3sc4c(=O)[nH]c(=N)[nH]c4c32)C(F)(F)[C@@H]1O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1 ZINC000473247161 KK Annotated Anodyne CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3sc4c(=O)[nH]c(=N)[nH]c4c32)C(F)(F)[C@@H]1O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1 ZINC000473247164 KK Annotated Anodyne CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@@H]1[C@@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)O[C@@H](n2cnc3sc4c(=O)[nH]c(=N)[nH]c4c32)C1(F)F ZINC000473247167 KK Annotated Anodyne CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3sc4c(=O)[nH]c(=N)[nH]c4c32)C(F)(F)[C@@H]1O[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1 ZINC000473247170 KK Annotated Anodyne Fc1c(Br)ccc(Br)c1[C@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473247222 KK Annotated Anodyne Fc1c(Br)ccc(Br)c1[C@@H]1C[C@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473247223 KK Annotated Anodyne Fc1c(Br)ccc(Br)c1[C@@H]1C[C@@H](c2cccc(Br)c2)N=C2N=NNN21 ZINC000473247224 KK 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](OC(=O)/C=C/c2ccccc2)CCC(=O)[C@H]13 ZINC000473247256 KK 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](OC(=O)/C=C/c2ccccc2)CC[C@H](OC(=O)/C=C/c2ccccc2)[C@H]13 ZINC000473247491 KK 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](OC(=O)CCC(=O)O)CC[C@H](OC(=O)CCC(=O)O)[C@H]13 ZINC000473247515 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473247549 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cncn2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473247550 KK Annotated Clean CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)C[C@H]2c1ccc(Cl)cc1Cl ZINC000473247558 KK Annotated Anodyne Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc(-c4cc(C(N)=O)ccc4Cl)cc3)cccc21 ZINC000473247571 KK Annotated Anodyne Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CCCC(=O)O)c(C)n(CCC(=O)O)c23)cc1 ZINC000473247606 KK Annotated Mild 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](OC(=O)CCC(=O)O)CCC(=O)[C@H]13 ZINC000473247699 KK Annotated Anodyne Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2cccc3c(CCCC(=O)O)c(C)n(CC(=O)O)c23)cc1 ZINC000473247761 KK Annotated Mild Cc1c(Cl)cccc1CCCCOc1ccc(C#Cc2c(F)ccc3c(CCCC(=O)O)c(C)n(CCCC(=O)O)c23)cc1 ZINC000473247906 KK Annotated Mild C/C=C1\CN2C(=O)[C@]3(c4ccc(OC)cc4/N=N/c4cc(OC)ccc4[C@@]45C[C@H]6[C@H]7CO[C@@H]4C[C@H]7/C(=C/C)CN6C5=O)C[C@H]2[C@H]2CO[C@@H]3C[C@@H]12 ZINC000473247944 KK Annotated Clean CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1c(Cl)cccc1Cl)CC(=O)C[C@H]2c1c(Cl)cccc1Cl ZINC000473248220 KK 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](OC(C)=O)CC/C(=N\OC(C)=O)[C@H]13 ZINC000473248312 KK Annotated Mild Cc1c(CCCC(=O)O)c2cccc(/C=C/c3ccc(OCCCCc4cc(F)c(F)c(F)c4F)cc3)c2n1CC(=O)O ZINC000473248660 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473248719 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2cnc3ccccc32)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473248720 KK Annotated Clean O=C(Cn1cc(COc2cccc3c(C(F)(F)F)cc(=O)oc23)nn1)Nc1c(C(F)(F)F)n[nH]c1-c1ccccc1 ZINC000473248982 KK Annotated Anodyne CC(C)n1nc(C(N)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(OCC(F)(F)F)c1 ZINC000473249065 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n([C@H](C)C2CC2)n1 ZINC000473249339 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n([C@H](C)C2CC2)n1 ZINC000473249340 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n([C@@H](C)C2CC2)n1 ZINC000473249341 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n([C@@H](C)C2CC2)n1 ZINC000473249342 KK 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](OC(=O)c2cccnc2)CC[C@H](OC(=O)c2cccnc2)[C@H]13 ZINC000473249396 KK Annotated Anodyne Cc1c(CCCC(=O)O)c2cccc(/C=C/c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(=O)O ZINC000473249598 KK Annotated Anodyne CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(COC(=O)/C=C/c5ccccc5)CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@H](OC(=O)/C=C/c2ccccc2)[C@H]13 ZINC000473249647 KK Annotated Anodyne Cc1c(CCCC(=O)O)c2cccc(/C=C/c3ccc(OCCCCc4c(F)c(F)cc(F)c4F)cc3)c2n1CC(=O)O ZINC000473249738 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@H]3c2cc(C(F)(F)F)ccc2C(F)(F)F)ccc1-c1cnc(C)o1 ZINC000473249925 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@H]3c2cc(C(F)(F)F)ccc2C(F)(F)F)ccc1-c1cnc(C)o1 ZINC000473249926 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(F)cccc3Cl)c(-c3ccccc3)c2)n(C(C)C)n1 ZINC000473249928 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473249941 KK Annotated Clean Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1CC(c2cccs2)=NN1C1=NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1 ZINC000473249942 KK Annotated Clean CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(Cl)cccc3Cl)c(N3C[C@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473249943 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(Cl)cccc3Cl)c(N3C[C@@H]4C[C@H]4C3)c2)n(C(C)C)n1 ZINC000473249944 KK Annotated Anodyne CC(=O)Nc1cc(-c2ccc(N(C)C(=O)c3c(Cl)cccc3Cl)c(N3C[C@H]4C[C@@H]4C3)c2)n(C(C)C)n1 ZINC000473249945 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N(C)C)CC3)nc1)C(=O)C2 ZINC000474602174 KK Annotated Anodyne Cn1c(COCc2ccc(C(F)(F)F)cc2)c(/C=C2/C(=O)ON=C2C(F)(F)F)c2cc(F)ccc21 ZINC000474602547 KK Annotated Mild Cn1c(COCc2cn(Cc3ccc(OC(F)(F)F)cc3)nn2)c(/C=C2/C(=O)ON=C2C(F)(F)F)c2cc(F)ccc21 ZINC000474604008 KK Annotated Mild CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)Cc2ccc3ccccc3c2)C(=O)c2ccccc2C1=O ZINC000474604755 KK Annotated Mild CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCN4CCCNCCNCCCNCC4)ccc(c23)C1=O ZINC000474605102 KK Annotated Mild COc1cc(-c2nc(CNC(=S)SCc3ccccc3)cc3c4ccccc4n(C)c23)cc(OC)c1OC ZINC000474605829 KK Annotated Clean C=CCCOC(=O)CC[C@@]1(C)[C@H](C(=C)C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000474605846 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc(O)cc(Nc3ccc(C)cc3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000474605937 KK Annotated Mild N#Cc1c[nH]c2ccc(-c3cccc(N4CCOCC4)c3)cc2c1=Nc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000474606042 KK Annotated Mild CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)Cc2cccc3ccccc23)C(=O)c2ccccc2C1=O ZINC000474607074 KK Annotated Mild CC1=C[C@H]2Cc3[nH]c4ccccc4c(=NCCCCCCCCCCN=c4c5c([nH]c6ccccc46)CCCC5)c3[C@@H](C1)C2 ZINC000474607079 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(Br)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474607811 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc(O)cc(Nc3cccc(Cl)c3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000474608420 KK Annotated Mild CCCC[C@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000474608437 KK Annotated Bother CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)Oc1cc(C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000474608438 KK Annotated Bother CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474608497 KK Annotated Mild CN1CCN(S(=O)(=O)c2ccc(-c3ccc4[nH]cc(C#N)c(=Nc5ccc(OCc6ccccc6)c(Cl)c5)c4c3)cc2)CC1 ZINC000474609000 KK Annotated Mild C=CCCOC(=O)C[C@@]1(C)[C@H](C(C)(C)C(=O)OCC=C)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]12C ZINC000474609037 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CC(=O)N(C)C4)CC3)nc1)C(=O)C2 ZINC000474609367 KK Annotated Anodyne Cn1c2ccccc2c2cc(CNC(=S)SCc3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)c21 ZINC000474609603 KK Annotated Clean O=S(=O)(c1ccc(C2=C[C@@H]3C(=Nc4ccc(OCc5ccccc5)c(Cl)c4)N=CN[C@@H]3S2)cc1)N1CCOCC1 ZINC000474609654 KK Annotated Mild O=S(=O)(c1ccc(C2=C[C@@H]3C(=Nc4ccc(OCc5ccccc5)c(Cl)c4)N=CN[C@H]3S2)cc1)N1CCOCC1 ZINC000474609655 KK Annotated Mild O=S(=O)(c1ccc(C2=C[C@H]3C(=Nc4ccc(OCc5ccccc5)c(Cl)c4)N=CN[C@H]3S2)cc1)N1CCOCC1 ZINC000474609656 KK Annotated Mild O=S(=O)(c1ccc(C2=C[C@H]3C(=Nc4ccc(OCc5ccccc5)c(Cl)c4)N=CN[C@@H]3S2)cc1)N1CCOCC1 ZINC000474609657 KK Annotated Mild CN1CCCN(S(=O)(=O)c2ccc(-c3ccc4[nH]cc(C#N)c(=Nc5ccc(OCc6ccccc6)c(Cl)c5)c4c3)cc2)CC1 ZINC000474609676 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSc2nc(O)cc(Nc3ccc(OC)cc3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000474609689 KK Annotated Mild COc1cc(-c2nc(CNC(=S)SCc3ccccc3)cc3c2[nH]c2ccccc23)cc(OC)c1OC ZINC000474609728 KK Annotated Clean Fc1cccc(COc2ccc(N=C3N=CN[C@@H]4SC(c5cccc(N6CCOCC6)c5)=C[C@H]34)cc2Cl)c1 ZINC000474609731 KK Annotated Mild Fc1cccc(COc2ccc(N=C3N=CN[C@H]4SC(c5cccc(N6CCOCC6)c5)=C[C@H]34)cc2Cl)c1 ZINC000474609732 KK Annotated Mild Fc1cccc(COc2ccc(N=C3N=CN[C@H]4SC(c5cccc(N6CCOCC6)c5)=C[C@@H]34)cc2Cl)c1 ZINC000474609733 KK Annotated Mild Fc1cccc(COc2ccc(N=C3N=CN[C@@H]4SC(c5cccc(N6CCOCC6)c5)=C[C@@H]34)cc2Cl)c1 ZINC000474609734 KK Annotated Mild CC1=NOC(=O)/C1=C/c1c(COCc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)n(C)c2ccc(F)cc12 ZINC000474609754 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@@H]3CC[C@@H](N4CNC(=O)C4)CC3)cc1)C(=O)C2 ZINC000474609888 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4CC=C(O[Si](C)(C)C(C)(C)C)C[C@]43C=N)[C@@]2(C)CCC12OCCO2 ZINC000474609892 KK Annotated Reactive CC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)Cc2ccc(-c3ccccc3)cc2)C(=O)c2ccccc2C1=O ZINC000474609938 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474609970 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 ZINC000474610001 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)N2CCc3cc(C(=O)NCCN(Cc4ccc(F)cc4)C(C)(C)C)ccc3C2)c(C)c1 ZINC000474610012 KK Annotated Anodyne N#Cc1c[nH]c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2c1=Nc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000474610036 KK Annotated Mild FC(F)(F)c1ccc(-c2nc(CNC(=S)SCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 ZINC000474610075 KK Annotated Clean CO[C@H]1[C@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000048016091 KK Annotated Anodyne in-vitro Cc1cnc(CN(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000048307327 KK Annotated Bother O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCc2ccccc21)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048307346 KK Annotated Anodyne O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCc2ccccc21)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048307347 KK Annotated Anodyne O=C(Nc1cccc(Cl)c1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000048307356 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(Nc2nnc(-c3ccc(OCC(=O)NC[C@@H]4CC[C@H]5C[C@@H]4C5(C)C)c([N+](=O)[O-])c3)o2)cc1 ZINC000048307364 KK Annotated Bother O=C(Oc1ccc([C@@H]2CNCCc3c2cc(OC(=O)c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c3Cl)cc1)c1ccc(O)cc1 ZINC000048307403 KK Annotated Anodyne O=C(Oc1ccc([C@H]2CNCCc3c2cc(OC(=O)c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c3Cl)cc1)c1ccc(O)cc1 ZINC000048307404 KK Annotated Anodyne COc1ccc(NC(=O)/C=C\c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1OCCN(C(C)C)C(C)C ZINC000048307406 KK Annotated Anodyne COc1ccc(NC(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)cc1OCCN(C(C)C)C(C)C ZINC000048307407 KK Annotated Bother CCCCN(CCCC)CC[C@H](O)/C(=C/c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000048308790 KK Annotated Anodyne CCCCN(CCCC)CC[C@@H](O)/C(=C/c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1N ZINC000048308793 KK Annotated Anodyne CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(-c4cc(=O)[nH]c(Nc5ccccc5Cl)n4)cc3[nH]2)cc1 ZINC000048308854 KK Annotated Anodyne O=C(NCC1CCC(C(=O)NCc2cccc3ccccc23)CC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048308913 KK Annotated Anodyne COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C(=C\c4ccc(C#N)cc4)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000048308951 KK Annotated Mild COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)/C(=C/c4ccc(C#N)cc4)c4ccc(-c5ccccc5)cc4)CC3)c2c1 ZINC000048308954 KK Annotated Mild CCCC[C@@H]1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000048998248 KK Annotated Anodyne CCCC[C@H]1CN(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000048998249 KK Annotated Anodyne CCCC[C@@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048998250 KK Annotated Anodyne CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000048998251 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)(C)O ZINC000048998527 KK Annotated Mild Clc1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(Cl)c(Cl)c5)O4)cc3)O2)cc1Cl ZINC000049015614 KK Annotated Anodyne Clc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccc(Cl)c(Cl)c5)O4)cc3)O2)cc1Cl ZINC000049015619 KK Annotated Anodyne Clc1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccc(Cl)c(Cl)c5)O4)cc3)O2)cc1Cl ZINC000049015622 KK Annotated Anodyne C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000049015738 KK Annotated Mild in-vitro biogenic CS(=O)(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c32)c(Cl)c1 ZINC000049016107 KK Annotated Anodyne CCCCN(CCCC)CC1(CN(CCCC)CCCC)COc2ccc3c(C)cc(=O)oc3c2C1=O ZINC000049031433 KK Annotated Anodyne Cc1c(C(=O)N/N=C(/C=C/c2ccccc2)C(=N/Nc2ccccc2)\N2CCCCC2)oc2ccccc12 ZINC000049033256 KK Annotated Reactive NC(=O)c1cc(Br)c2c(c1)nc(NCc1ccccc1Cl)n2C[C@H]1CCCCC[C@H]1O ZINC000049033524 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@]2(C)[C@@H](Br)CCC(=C)[C@H]2Cc2cc(ccc2O)C(=O)O1 ZINC000049034258 KK Annotated Reactive c1ccc(-c2nc3ccccc3c3cc4ccccc4n23)c(-c2nc3ccccc3c3cc4ccccc4n23)c1 ZINC000049034304 KK Annotated Bother C[C@H](O)C(=O)N[C@@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049034759 KK Annotated Anodyne in-vivo C[C@H](O)C(=O)N[C@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049034761 KK Annotated Anodyne in-vivo CCCN(Cc1ccc(F)cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049035014 KK Annotated Anodyne CCOc1nc(-c2ccc(OC)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049035039 KK Annotated Mild CN(C)c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(N(C)C)cc2)cc1 ZINC000049035976 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049036615 KK Annotated Bother C[C@@H](O)NC(=O)[C@@H]1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049036698 KK Annotated Anodyne in-vivo C[C@@H](O)NC(=O)[C@H]1CC(C)(C)N(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049036700 KK Annotated Anodyne in-vivo CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N1C[C@H]2C[C@@H]1CN2C)OC(=O)Cc1ccccc1 ZINC000049037231 KK Annotated Anodyne CCCCCC[C@H](C/C=C\CCCCCCCC(=O)N1C[C@@H]2C[C@H]1CN2C)OC(=O)Cc1ccccc1 ZINC000049037233 KK Annotated Anodyne CCOc1nc(-c2ccc([N+](=O)[O-])cc2)c(SC2CCCCC2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049037507 KK Annotated Mild CCCN(Cc1ccc(Cl)cc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049045570 KK Annotated Anodyne CCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049045936 KK Annotated Mild C[C@H](NC(=O)c1cccc2ccn(Cc3cc(Cl)cc(OC(F)(F)F)c3)c12)c1ccc(C(=O)O)cc1 ZINC000049046202 KK Annotated Anodyne O=C(O)Cc1cccc(-c2noc(-c3ccccc3)c2C(=O)NCCOc2cc(Cl)cc(Cl)c2)c1 ZINC000049049062 KK Annotated Anodyne c1cc(-c2nc3ccccc3c3cc4ccccc4n23)cc(-c2nc3ccccc3c3cc4ccccc4n23)c1 ZINC000049049122 KK Annotated Bother CC(C)(O)C(=O)N[C@@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049049171 KK Annotated Anodyne in-vivo CC(C)(O)C(=O)N[C@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049049175 KK Annotated Anodyne in-vivo CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2c1 ZINC000049049509 KK Annotated Anodyne c1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(-c4nc5ccccc5c5cc6ccccc6n45)cc3)n21 ZINC000049049583 KK Annotated Bother CC(C)CCN1Cc2cc(CC(C)C)c(NCCNC(=O)OC(C)(C)C)cc2N[C@@H](CC(C)C)C1=O ZINC000049050751 KK Annotated Anodyne O=C(c1sc2ccccc2c1Cl)n1nc(-c2ccc([N+](=O)[O-])s2)cc1-c1ccc(Cl)cc1 ZINC000049050874 KK Annotated Bother CCCCN(Cc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049051180 KK Annotated Anodyne Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC[C@@H]4Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1 ZINC000049051644 KK Annotated Anodyne Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC[C@H]4Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1 ZINC000049051648 KK Annotated Anodyne COc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049052150 KK Annotated Mild Cc1c(C(=O)NN/C=C(\NNC(=O)c2oc3ccccc3c2C)c2ccc(Cl)cc2)oc2ccccc12 ZINC000049053530 KK Annotated Reactive CC(C)(C)c1ccc(C(=O)Nn2c(CC3CCCCC3)nc3c(-c4ccc(Cl)cc4)n[nH]c3c2=O)cc1 ZINC000049054199 KK Annotated Anodyne Cc1cccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)c1 ZINC000049054256 KK Annotated Anodyne CCCN(CCCN(C)C)C1=C[C@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054337 KK Annotated Anodyne CCCN(CCCN(C)C)C1=C[C@@H](Cc2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1 ZINC000049054340 KK Annotated Anodyne O=C(/C=C/c1cccc2c1OCO2)N1CCN(C(=O)CCCCC(c2ccccc2)c2ccccc2)CC1 ZINC000049055648 KK Annotated Anodyne Oc1ccc(CN(Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049067325 KK Annotated Anodyne Nc1ncc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)nc1NCc1c(Cl)cccc1Cl ZINC000049068484 KK Annotated Anodyne COc1ccc(CCOc2ccc3c(c2)c(CCN)cn3CCCCCc2ccc(SC)cc2)cc1 ZINC000049068728 KK Annotated Anodyne O=c1c2ccccc2nc(-c2cc(-c3ccncc3)c(N3CCOCC3)s2)n1-c1ccc(Cl)cc1 ZINC000049068847 KK Annotated Anodyne CSCCCC(=O)SCC[C@H](CCCCC(=O)OCCN(C)C)SC(=O)CCCSC ZINC000049071043 KK Annotated Anodyne CSCCCC(=O)SCC[C@@H](CCCCC(=O)OCCN(C)C)SC(=O)CCCSC ZINC000049071045 KK Annotated Anodyne CN(C)c1ccc(CCCCCn2c3c(c4cc(OCCc5ccc(O)cc5)ccc42)C[C@@H](N)CC3)cc1 ZINC000049071319 KK Annotated Anodyne CN(C)c1ccc(CCCCCn2c3c(c4cc(OCCc5ccc(O)cc5)ccc42)C[C@H](N)CC3)cc1 ZINC000049071321 KK Annotated Anodyne CSc1nc2ccc(N(C/C=C/c3ccccc3)C/C=C/c3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000049071960 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12N[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049072417 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12N[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]21CCCCC1=O ZINC000049072419 KK Annotated Anodyne CCOc1ccc2ccc(-c3cc4ccc(-c5cc6ccccc6nc5OCC)cc4nc3OCC)cc2n1 ZINC000049072584 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000049072629 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@]13CN(c1ccccc1)CCC3=O)C(=O)N2 ZINC000049072631 KK Annotated Anodyne CCn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049072869 KK Annotated Anodyne CCn1cncc1[C@](O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049072871 KK Annotated Anodyne O=c1c2ccccc2nc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)n1-c1ccc(Cl)cc1 ZINC000049073010 KK Annotated Anodyne O=C(CCCC[C@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1)Nc1ccccc1Cl ZINC000049073232 KK Annotated Anodyne O=C(CCCC[C@@H](CCSC(=O)c1ccccc1)SC(=O)c1ccccc1)Nc1ccccc1Cl ZINC000049073234 KK Annotated Anodyne O=c1c2ccccc2nc(-c2cc(-c3ccncc3)c(N3CCOCC3)s2)n1-c1ccccc1Cl ZINC000049073332 KK Annotated Anodyne CN[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C ZINC000049087534 KK Annotated Anodyne CN[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C ZINC000049087537 KK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C)c1cncn1C ZINC000049087971 KK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(F)cccc1F)cc(=O)n2C)c1cncn1C ZINC000049087973 KK Annotated Anodyne CCn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088414 KK Annotated Anodyne CCn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049088415 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 ZINC000049088583 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2ccccc2N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 ZINC000049088584 KK Annotated Anodyne Cc1ccc(OS(=O)(=O)c2ccccc2N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 ZINC000049088585 KK Annotated Anodyne CCc1ccc([C@@](OC)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2CC)cc1 ZINC000049088871 KK Annotated Anodyne CCc1ccc([C@](OC)(c2ccc3c(c2)c(-c2cccc(Cl)c2)cc(=O)n3C)c2cncn2CC)cc1 ZINC000049088872 KK Annotated Anodyne CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C)c1cncn1C ZINC000049088878 KK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccc(Cl)cc1)cc(=O)n2C)c1cncn1C ZINC000049088879 KK Annotated Anodyne NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3 ZINC000049088915 KK Annotated Anodyne NC1=Nc2ccc3cc2CN1[C@@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCCc1cccc(c1)O3 ZINC000049088916 KK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C ZINC000049089010 KK Annotated Anodyne CCn1cncc1[C@@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049089112 KK Annotated Anodyne CCn1cncc1[C@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049089113 KK Annotated Anodyne CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12 ZINC000049089954 KK Annotated Anodyne CC1(C)C[C@H](NC(=O)C2(O)CC2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049109483 KK Annotated Anodyne CC1(C)C[C@@H](NC(=O)C2(O)CC2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049109485 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C)n3)CC2(C)C)cc1F ZINC000049109627 KK Annotated Clean CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049110519 KK Annotated Anodyne CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)cccc3C)CC1)CC2 ZINC000049110521 KK Annotated Anodyne COC1=Cc2c(nc3ccccc3c2N2N=C(CSc3nnc(-c4ccncc4)o3)CC2=O)[C@H](Cl)C1 ZINC000049110584 KK Annotated Reactive COC1=Cc2c(nc3ccccc3c2N2N=C(CSc3nnc(-c4ccncc4)o3)CC2=O)[C@@H](Cl)C1 ZINC000049110586 KK Annotated Reactive Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)c3cc4cc(C(C)(C)C)cc(C(C)(C)C)c4oc3=O)cc2)cc1 ZINC000049111083 KK Annotated Anodyne COc1ccc(Cn2ncc3[nH]c(-c4cc(NC(=O)Nc5c(F)cc(F)c(C)c5F)ccc4C)nc32)cc1 ZINC000049112013 KK Annotated Anodyne CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(NCCCO)c(N)n2)cc1 ZINC000049112114 KK Annotated Anodyne O=C1/C(=C/c2cccs2)CN(P(=O)(Oc2ccccc2)Oc2ccccc2)C/C1=C\c1cccs1 ZINC000049112230 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@H]1CC(C)(C)OC2=CC(=O)[C@]3(CC=C(C)C)C(=O)[C@@]21CC[C@]3(C)CCC=C(C)C ZINC000049112641 KK Annotated Mild O=C(CSc1nc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]1)c1ccccc1 ZINC000049112706 KK Annotated Anodyne CCn1cncc1[C@@](OC)(c1ccc(C(C)C)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049112843 KK Annotated Anodyne CCn1cncc1[C@](OC)(c1ccc(C(C)C)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049112844 KK Annotated Anodyne Cc1cc2[nH]nc(/C=C/c3cccc(NC(=O)N4CCN(C)CC4)c3)c2cc1NC(=O)Cc1cccs1 ZINC000049113248 KK Annotated Anodyne COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)C[C@H]3CCl ZINC000049114317 KK Annotated Reactive CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049114373 KK Annotated Anodyne CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2 ZINC000049114376 KK Annotated Anodyne CCn1cncc1[C@@](NC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049115045 KK Annotated Anodyne CCn1cncc1[C@](NC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049115049 KK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049116565 KK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049116570 KK Annotated Anodyne CCCCCCCCCNC(=S)N/N=C/c1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(cc(O)c(C)c1O)C3=O ZINC000049589027 KK Annotated Mild CC(C)NC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000049589425 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000049592834 KK Annotated Mild CC[C@H]1OC(=O)C[C@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CCN2CCCCCC2)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C ZINC000049592836 KK Annotated Anodyne CC[C@H](O)c1c(CN2CCN(c3cc(C)ccc3C)CC2)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 ZINC000049592936 KK Annotated Anodyne CCCCCC[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1O[C@@H](OC)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049592942 KK Annotated Anodyne CCCCCC[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1O[C@@H](OC)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049592944 KK Annotated Anodyne COc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1C[N+](C)(C)C ZINC000049593003 KK Annotated Bother C=C1CC[C@@H]2O[C@@H]1CC/C(C)=C/[C@@H]1C(=C(C)C[C@H]3C(=O)C[C@H](C)CCC[C@H](C)C(=O)C[C@H](C(C)C)C(=O)C[C@@]13C(=O)OC)[C@H](O)C[C@@]2(C)O ZINC000049593036 KK Annotated Mild Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2CO)CC1 ZINC000049599647 KK Annotated Anodyne CN(C)Cc1cc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)ccc1O ZINC000049599750 KK Annotated Clean CCN(C(=O)c1cn(-c2cc(OC)cc(OCCCCCC[N+]34CCN(CC3)CC4)c2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049599891 KK Annotated Bother CCN(C(=O)c1cn(-c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049599897 KK Annotated Bother O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCOc3ccccc3)cc2)cc1)C[C@@H]1CCCCN1 ZINC000049604902 KK Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCOc3ccccc3)cc2)cc1)C[C@H]1CCCCN1 ZINC000049604903 KK Annotated Anodyne CCCCCCCCCCN1C(=O)[C@@H]2[C@H](CCCCNC(C)=O)N[C@@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@@H]2C1=O ZINC000049604909 KK Annotated Mild CCCNCc1ccc(-c2ccc(CN(Cc3cnc(C)cn3)C(=O)c3nn(-c4ccccc4)nc3C)cc2)nc1 ZINC000049604914 KK Annotated Anodyne CN1CCC(C(=O)N(Cc2ccc(-c3ccc(CNCCc4ccccc4)cn3)cc2)C2Cc3ccccc3C2)CC1 ZINC000049604926 KK Annotated Anodyne CC(=O)Nc1ccc(OCCCN(Cc2ccccc2OC(F)(F)F)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 ZINC000049604931 KK Annotated Mild Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)N(CCNC(C)C)C(C)C)c1Br ZINC000049604935 KK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)c3)nc2c1 ZINC000049604937 KK Annotated Anodyne Cc1cccc(CCCNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000049604941 KK Annotated Anodyne C[C@@H](CNC(=O)[C@@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604943 KK Annotated Anodyne C[C@H](CNC(=O)[C@@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604944 KK Annotated Anodyne C[C@@H](CNC(=O)[C@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604945 KK Annotated Anodyne C[C@H](CNC(=O)[C@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000049604946 KK Annotated Anodyne N#Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCCN(C(=O)[C@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C/c5ccccc5)CC4)CC3)cc2)cc1 ZINC000049604951 KK Annotated Mild N#Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCCN(C(=O)[C@@H](c4ccc5c(c4)OCO5)N4CCN(C/C=C/c5ccccc5)CC4)CC3)cc2)cc1 ZINC000049604952 KK Annotated Mild C[C@H]1CN(c2ccc(NC(=O)c3ccsc3)cc2C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000049604985 KK Annotated Anodyne C[C@H]1CN(c2ccc(NC(=O)c3ccsc3)cc2C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)C[C@H](C)O1 ZINC000049604986 KK Annotated Anodyne C[C@@H]1CN(c2ccc(NC(=O)c3ccsc3)cc2C(=O)N2CCN(Cc3ccc(C(C)(C)C)cc3)CC2)C[C@@H](C)O1 ZINC000049604987 KK Annotated Anodyne CC(C)(CNCc1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccnc(N)n2)[nH]1 ZINC000049604995 KK Annotated Anodyne CCC(CC)(Cc1ccccc1)NC(=O)[C@H](Cc1ccc(OC)c(OC)c1)Nc1ccc(C#N)c2ccccc12 ZINC000049605000 KK Annotated Mild Cc1cc(OCCCN2CCCC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(C#N)cc(C(F)(F)F)c1 ZINC000049605019 KK Annotated Mild FC(F)(F)c1ccc(N2CCCN(Cc3cccc(-c4ccccc4CNCc4ccc5c(c4)OCO5)c3)CC2)nc1 ZINC000049605037 KK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3cccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)c3)nc2c1 ZINC000049605062 KK Annotated Anodyne CCN(CC)/C(=N\CCCCCC/N=C(\NC(=N)c1ccc(Cl)cc1)N(CC)CC)NC(=N)c1ccc(Cl)cc1 ZINC000049605065 KK Annotated Mild CN1CCC(C(=O)N(Cc2ccc(-c3ccc(CNCCc4ccccc4)cn3)cc2)Cc2cccc(F)c2)CC1 ZINC000049605074 KK Annotated Anodyne O=C(NCC1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605090 KK Annotated Anodyne O=C(NCC1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1)c1ccc(O)c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605091 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000049605094 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@]2(C(=O)O)C[C@@H](OCc3ccccc3)CN12 ZINC000049605095 KK Annotated Anodyne Cc1cc(C(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000049605128 KK Annotated Bother Cc1cc(C(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H](C)CN(C)C)ccc1[N+](=O)[O-] ZINC000049605129 KK Annotated Bother CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CNC4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049605134 KK Annotated Anodyne Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)NCCCCN1CCC(c2ccc3c(c2OCCO)CCCC3)CC1 ZINC000049605142 KK Annotated Mild O=C(NCCSCc1c(F)cccc1Cl)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCc1c[nH]cn1 ZINC000049605145 KK Annotated Anodyne CN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)nc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049605159 KK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)CCN(CCC1CCC(/N=C(O)\C(=C\c3ccc(Cl)cc3Cl)c3ccc(-c4ccccc4)cc3)CC1)CC2 ZINC000049605167 KK Annotated Mild Brc1ccc(Nc2ccnc3cc(-c4nccs4)ccc23)cc1Oc1ccnc2cc(-c3nccs3)ccc12 ZINC000049605202 KK Annotated Anodyne CC(=O)Nc1ccc(OCCCCN(Cc2ccccc2C(F)(F)F)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 ZINC000049605211 KK Annotated Mild CCCCCc1cc(OC(=O)CCCN(CC)CC)c2c(c1)OC(C)(C)C=C2C1=CCN(Cc2ccc3ccccc3c2)CC1 ZINC000049605219 KK Annotated Anodyne CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OCCCCNC(N)=O)cc23)[C@@H](CC)C1 ZINC000049605226 KK Annotated Mild CCCCCCNC(=O)[C@@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000049605253 KK Annotated Anodyne CCCCCCNC(=O)[C@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000049605254 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)C(c3ccccc3)c3ccccc3)nc2c1 ZINC000049605258 KK Annotated Anodyne N#Cc1ccc(NC(=O)c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4OCCO[C@@H]4CCCCO4)CCCC5)CC3)cc2)cc1 ZINC000049605264 KK Annotated Mild N#Cc1ccc(NC(=O)c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4OCCO[C@H]4CCCCO4)CCCC5)CC3)cc2)cc1 ZINC000049605265 KK Annotated Mild O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C[C@@H]1CCCCN1 ZINC000049605276 KK Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C[C@H]1CCCCN1 ZINC000049605277 KK Annotated Anodyne N#Cc1cc(N(CCCOc2cccc(OC(F)(F)F)c2)Cc2ccccc2C(F)(F)F)ccc1C(F)(F)F ZINC000049605284 KK Annotated Mild Fc1ccc([C@@H]2NC(SCCSC3=N[C@@H](c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N3)=N[C@@H]2c2ccc(F)cc2)cc1 ZINC000049605285 KK Annotated Anodyne Fc1ccc([C@@H]2N=C(SCCSC3=N[C@H](c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N3)N[C@H]2c2ccc(F)cc2)cc1 ZINC000049605286 KK Annotated Anodyne Fc1ccc([C@@H]2NC(SCCSC3=N[C@H](c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N3)=N[C@@H]2c2ccc(F)cc2)cc1 ZINC000049605287 KK Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H](C(=O)c3ccccc3)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000049605321 KK Annotated Anodyne N#Cc1ccc(S(=O)(=O)N2[C@H](c3cccc([N+](=O)[O-])c3)[C@H](C(=O)c3ccccc3)N(C3CCCCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000049605322 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C4OCCO4)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(COCc2cccc(C#N)c2)[C@]13C(=O)OC(c1ccccc1)c1ccccc1 ZINC000049605354 KK Annotated Mild N=C(/N=C(/NCCCCCCN/C(=N\C(=N)Nc1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1)Nc1ccc(Cl)cc1 ZINC000049605376 KK Annotated Mild COc1cc(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccc3ccccc23)c2ncccc2c1 ZINC000049605395 KK Annotated Clean COc1cc(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2cccc3ccccc23)c2ncccc2c1 ZINC000049605396 KK Annotated Clean O=C(NCCCCN1CC=C(c2ccc3c(c2OCC2CC2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049605404 KK Annotated Anodyne N#Cc1ccc(-c2ccc(C(=O)NCCCCN3CCC(c4ccc5c(c4OCc4ccncc4)CCCC5)CC3)cc2)cc1 ZINC000049605412 KK Annotated Mild C[C@@H](CNC(=N)c1cccc(C(=N)NC[C@@H](C)Oc2cccc(C3CCCCC3)c2)n1)Oc1cccc(C2CCCCC2)c1 ZINC000049605462 KK Annotated Anodyne CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000049605474 KK Annotated Anodyne CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4Cc5ccccc5C4)cc3)nc2)cc1 ZINC000049605475 KK Annotated Anodyne CCN(CC)/C(=N/C(=N)Nc1ccc(Cl)cc1)NCCCCCCCCN/C(=N\C(=N)Nc1ccc(Cl)cc1)N(CC)CC ZINC000049605497 KK Annotated Mild O=C1c2cccc(N3CCC[C@H](C(=O)N4CCCC[C@@H]4c4cccnc4)C3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000049605506 KK Annotated Anodyne O=C1c2cccc(N3CCC[C@@H](C(=O)N4CCCC[C@@H]4c4cccnc4)C3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000049605507 KK Annotated Anodyne CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OCCN4CCNCC4)cc23)[C@@H](CC)C1 ZINC000049605510 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)NC(=O)C2CCN(C(=O)CSc3ccccc3)CC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000049605512 KK Annotated Mild CCCCCCCC1=NN2C(=N)/C(=C\c3cc(Br)c(OCc4ccc(F)cc4)c(OCC)c3)C(=O)N=C2S1 ZINC000049605582 KK Annotated Mild CC(C)CCNC(=O)[C@@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000049605589 KK Annotated Anodyne CC(C)CCNC(=O)[C@H]1Cc2c([nH]c3ccc(Br)cc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000049605590 KK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccc(NC(=S)NCCCNCCCCNCCCN)cc3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000049605619 KK Annotated Bother COc1ccccc1Cc1cc(-c2ccc(Cl)cc2)nnc1N/N=C/c1ccc(OCCOc2ccc(C=O)cc2OC)c(OC)c1 ZINC000049605636 KK Annotated Mild O=C(Nc1ccccc1F)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605648 KK Annotated Anodyne COc1ccc(CCN(C)CCCOc2ccc(NC(=O)COc3cccc4sc5ccccc5c(=O)c34)cc2)cc1OC ZINC000049605675 KK Annotated Bother O=C(NC[C@@H]1COc2ccccc2O1)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCSCc1c(F)cccc1Cl ZINC000049605677 KK Annotated Anodyne O=C(NC[C@H]1COc2ccccc2O1)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCSCc1c(F)cccc1Cl ZINC000049605678 KK Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccn3)cc2)cc1)C[C@@H]1CCCCN1 ZINC000049605695 KK Annotated Anodyne O=S(=O)(/C=C/c1ccccc1)N(Cc1ccc(-c2ccc(CNCCc3ccccn3)cc2)cc1)C[C@H]1CCCCN1 ZINC000049605696 KK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)cc2)c1 ZINC000049605700 KK Annotated Anodyne O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049605725 KK Annotated Anodyne O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049605726 KK Annotated Anodyne O=C(N[C@@H]1C[C@@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605734 KK Annotated Anodyne O=C(N[C@H]1C[C@@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605735 KK Annotated Anodyne O=C(N[C@@H]1C[C@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605736 KK Annotated Anodyne O=C(N[C@H]1C[C@H]1c1ccccc1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049605737 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1)N(CC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000049605761 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605789 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605790 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605791 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049605792 KK Annotated Anodyne CCN(CC)CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049605795 KK Annotated Anodyne N#Cc1ccc2c(c1)CN(C1CCC(NC(=O)/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC1)CCC2 ZINC000049605826 KK Annotated Mild C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)[C@]1(C)C5=CCC(C#N)(C#N)C1(C#N)C#N)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000049605894 KK Annotated Clean CC1(CCn2c(Cn3c(=O)n(Cc4cc(I)c(O)c(I)c4)c4ccccc43)nc3ccccc32)N=N1 ZINC000049605903 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1c1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1c1ccccc1 ZINC000049605925 KK Annotated Anodyne CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCCCCCC[N+]34CCN(CC3)CC4)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049605952 KK Annotated Bother C=Cc1c(C)c2cc3nc(cc4nc(cc5[nH]c(cc1[nH]2)[C@]1(C)C5=CCC(C(=O)OC)=C1C(=O)OC)c(C)c4CCC(=O)OC)c(CCC(=O)OC)c3C ZINC000049605953 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1Cc1ccccc1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1Cc1ccccc1 ZINC000049605977 KK Annotated Anodyne CCN(C(=O)c1cn(-c2cc(OC)cc(OCCCCCCC[N+]34CCN(CC3)CC4)c2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049605978 KK Annotated Bother CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCCCCC[N+]34CCN(CC3)CC4)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049606019 KK Annotated Bother C/C=C/C=C(/O[C@H]1[C@H](O)[C@H](OC[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)O[C@H](C)[C@H]1O)C(=O)C(CC)CC ZINC000049606038 KK Annotated Mild CCCCN(CCCC)CCCN(CCCN(CCCC)CCCC)c1cc(C)nc(Nc2ccc(Cl)cc2)n1 ZINC000049613931 KK Annotated Anodyne Cc1nn(-c2ccccc2)nc1C(=O)N(Cc1ccc(-c2ccc(CNCCc3ccc(S(C)(=O)=O)cc3)cn2)cc1)C1CC1 ZINC000049613954 KK Annotated Anodyne OC(/C=C/c1ccc(Cl)c(Cl)c1)=N/CCCCCN1CCC[C@H](CCC/N=C(/O)c2ccc3c(c2)OCO3)C1 ZINC000049614016 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2C(=O)/C=C/c1ccccc1 ZINC000049614155 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccco5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049614201 KK Annotated Anodyne CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)CN1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000049614240 KK Annotated Anodyne CN([C@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)CN1CCN(c2ccccc2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000049614244 KK Annotated Anodyne ClCCN(CCCl)CCCCOc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3ccccc3nc12 ZINC000049614292 KK Annotated Reactive CCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](C[N+](C)(C)C2CCCC2)[C@H]1O ZINC000049614324 KK Annotated Mild Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 ZINC000049614335 KK Annotated Anodyne CCCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C(C(=O)O[C@H](C)CCCCC[C@H]3C[C@H]4CC[C@H]5C[C@@H](C)NC(=[N+]54)N3)=C(C)NC(N)=[N+]12 ZINC000049614471 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@@H]1CC[C@H]2C(C(=O)O[C@@H](C)CCCCC[C@@H]3C[C@@H]4CC[C@@H]5C[C@H](C)NC(=[N+]45)N3)=C(C)NC(N)=[N+]12 ZINC000049614490 KK Annotated Mild O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)cc(F)c4)c4cnccc34)ccc21 ZINC000049614497 KK Annotated Clean COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2C(=O)c1ccccc1 ZINC000049614569 KK Annotated Anodyne Cc1cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCC3CCCCC3)c(O)c(O)cc2c1O ZINC000049614649 KK Annotated Clean Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@]23CC[C@@]2(C3=O)[C@@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000049614935 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@]23CC[C@]2(C3=O)[C@@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000049614939 KK Annotated Anodyne Cc1csc(N(S(=O)(=O)c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)c1-c1nc2ccccc2s1 ZINC000049615128 KK Annotated Anodyne CCN1/C(=C\C=C\c2sc3ccc(-c4nc5ccccc5s4)cc3[n+]2CC)Sc2ccc(-c3nc4ccccc4s3)cc21 ZINC000049615304 KK Annotated Clean COc1ccc(C(=O)c2ccc(OCC(=O)N3CCC(CCCC4CCN(C(=S)Nc5ccc(F)cc5)CC4)CC3)cc2)c(OC)c1 ZINC000049615309 KK Annotated Anodyne CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NC(c3ccccc3)c3ccccc3)c2)CC1 ZINC000049615364 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CCCC1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CCCC1 ZINC000049615380 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CC1)N1CCc2ccc(Cl)c(Cl)c2[C@@H]1C1CC1 ZINC000049615422 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5C)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049615449 KK Annotated Anodyne ClCCN(CCCl)CCCCOc1cccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000049615537 KK Annotated Reactive CCn1c2ccc3cc2c2cc(ccc21)CSc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1SC3 ZINC000049615565 KK Annotated Anodyne CC[C@@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc1)c1ccc(I)cc1 ZINC000049615692 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(C)(=O)=O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049615798 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)NCCc6ccc(CC)cc6)c(O)c(O)cc5c4O)c(C)cc23)cc1 ZINC000049615816 KK Annotated Clean Cc1cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NC3Cc4ccccc4C3)c(O)c(O)cc2c1O ZINC000049615871 KK Annotated Clean C=C(C)C(=O)Oc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000049615958 KK Annotated Mild COc1ccc(NC(=S)N2CCC(CCCC3CCN(C(=O)COc4ccc(C(=O)c5ccc(OC)cc5OC)cc4)CC3)CC2)cc1 ZINC000049616005 KK Annotated Anodyne C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NCCCCCCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049616019 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC)cc(OC(C)=O)c(C(=O)CCCCC)c2OC(C)=O)C1=O ZINC000049616087 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC)cc(OC(C)=O)c(C(=O)CCCCC)c2OC(C)=O)C1=O ZINC000049616091 KK Annotated Mild CCCCCCCCCCCCNC(=S)N/N=C/c1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(cc(O)c(C)c1O)C3=O ZINC000049616290 KK Annotated Mild CC(C)=C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1[S@@](=O)CC(=O)OC(C)(C)C ZINC000049625501 KK Annotated Anodyne CC(C)=C(C(=O)OCc1ccccc1)N1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1[S@](=O)CC(=O)OC(C)(C)C ZINC000049625503 KK Annotated Anodyne C[C@@H]1CCCCN1CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049625512 KK Annotated Anodyne C[C@H]1CCCCN1CCCNc1ncc2c(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c(F)c3)nn(C)c2n1 ZINC000049625515 KK Annotated Anodyne Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000049625669 KK Annotated Anodyne CC(C)(C)c1ccc(CNC(=O)COc2ccc(-c3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2[N+](=O)[O-])cc1 ZINC000049625741 KK Annotated Bother Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)N(C)[C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625760 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@@H](C)N(C)[C@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625763 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(NC(=O)c4coc5ccc(N6C[C@H](C)N(C)[C@@H](C)C6)cc45)cc3)c(C)c2)no1 ZINC000049625765 KK Annotated Anodyne O=C(CC1CCCC1)N(CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000049625786 KK Annotated Anodyne C[C@H](NCCC1CCC(NC(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc12 ZINC000049625894 KK Annotated Anodyne C[C@@H](NCCC1CCC(NC(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CC1)c1cccc2ccccc12 ZINC000049625896 KK Annotated Anodyne Fc1ccc(-c2nc(NCc3cccc(C(F)(F)F)c3)nn2-c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000049625910 KK Annotated Mild O=C(NCCCCN1CCC(c2ccc3c(c2OCc2ccncc2)CCCC3)CC1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000049625917 KK Annotated Anodyne CCCCNC(=O)c1cc(CNC2CCCCC2)ccc1-c1cccc(CNCc2ccc(-c3ccccc3)cc2)c1 ZINC000049625934 KK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4ccc(CNCc5cnn(-c6ccccc6)n5)cc4)s3)nc2c1 ZINC000049625935 KK Annotated Anodyne CCN(CC)Cc1ccc2c(=O)cc(CCc3cccc(F)c3F)n(CC(=O)N(Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3)C(C)C)c2c1 ZINC000049625995 KK Annotated Anodyne O=C(NCCCN(Cc1ccc(F)cc1)c1ccccn1)[C@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049626126 KK Annotated Anodyne O=C(NCCCN(Cc1ccc(F)cc1)c1ccccn1)[C@@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049626128 KK Annotated Anodyne CC(=O)Nc1cccc(CN(Cc2ccc(-c3ccc(CNCc4cccnc4)cn3)cc2)C(=O)Cc2cccnc2)c1 ZINC000049626227 KK Annotated Anodyne CCN(CC)CCCN(CCCN(CC)CC)c1cc(C)nc(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049626257 KK Annotated Anodyne CCCCN(CCCC)CCCN(CCCN(CCCC)CCCC)c1cc(C)nc(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049626295 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000049626316 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000049626319 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000049626321 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000049626323 KK Annotated Anodyne CCN1CCC(N(CCCCCCc2ccc(C(F)(F)F)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626326 KK Annotated Anodyne CCN1CCC(N(CCCCCCCCc2ccc(C(F)(F)F)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049626350 KK Annotated Anodyne CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1ccc(-c2cnc(NC(C)=O)[nH]2)cc1 ZINC000049626378 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1cnc2c(c1)nc(-c1c[nH]c(-c3ccccc3)n1)n2CCc1c[nH]cn1 ZINC000049626386 KK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)c2)c1 ZINC000049626398 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N(C(=O)OCc2ccccc2)[C@H]1Cc1ccccc1C1CCCC1 ZINC000049626407 KK Annotated Anodyne CCN(CC)/C(=N/C(=N)Nc1ccc(C)cc1)NCCCCCCN/C(=N\C(=N)Nc1ccc(C)cc1)N(CC)CC ZINC000049626472 KK Annotated Mild O=S(=O)(c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2c(c(-c3ccc(F)cc3)c1)CCN(CC1CC1)CC2 ZINC000049626537 KK Annotated Anodyne COc1ccc(Nc2nc(N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000049626592 KK Annotated Mild COC(=O)c1ccc(NC(=O)c2ccc(CCN3CCC(c4nc(COCC(F)(F)F)c(-c5ccc(F)cc5)o4)CC3)cc2)cc1 ZINC000049626607 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(CCN3CCC(c4nc(COCC(F)(F)F)c(-c5ccc(F)cc5)o4)CC3)cc2)cc1 ZINC000049626671 KK Annotated Reactive Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3cccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)cc2)c1 ZINC000049626701 KK Annotated Anodyne O=C(NCCCCN1CCC(c2ccc3c(c2OCCO)CCCC3)CC1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1CO ZINC000049626703 KK Annotated Anodyne OC(/C=C/c1ccc(Cl)c(Cl)c1)=N/CCCCCN1CCC(CCC/N=C(/O)c2ccc3c(c2)OCO3)CC1 ZINC000049626706 KK Annotated Mild Oc1ccc(CCNc2nc(NCc3ccccc3-c3ccc(C(F)(F)F)cc3)nc(NC3CCNCC3)n2)cc1 ZINC000049626839 KK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1N(Cc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049626904 KK Annotated Bother CCOC(=O)/C(=N\OC(C)(C)C(=O)NCc1ccc(O)c(O)c1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000049626944 KK Annotated Mild COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N/N3C(=O)CN(Cc4ccccc4)C3=O)CCc3ccccc3)oc12 ZINC000049626948 KK Annotated Mild CC(C)CCNCc1ccc(OCc2ccccc2COc2ccc(CNCCC(C)C)cc2I)c(I)c1 ZINC000049626952 KK Annotated Anodyne CC(=O)Nc1ccc(OCCCCN(Cc2ccccc2OC(F)(F)F)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 ZINC000049626994 KK Annotated Mild CC(C)(CNCc1cccc(Oc2cccc(C(F)(F)F)c2)c1)c1nc(-c2ccnc(N)n2)c(-c2ccc(Cl)c(O)c2)[nH]1 ZINC000049627022 KK Annotated Anodyne CC1(C)[C@H]2CC[C@@H](CNc3nc(NCC(=O)Nc4ccc5ccccc5c4)nc(N4CCC(N5CCCC5)CC4)n3)[C@@H]1C2 ZINC000049627032 KK Annotated Anodyne CCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000049637506 KK Annotated Bother C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049637670 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049637671 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049637673 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049637675 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049637811 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049637813 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049637815 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC4CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049637817 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049637825 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049637826 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049637828 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049637830 KK Annotated Mild Cc1cc(OCCCN2CCN(CCN3CCOCC3)CC2)ccc1NC(=O)COc1ccc(Cl)cc1C(=O)c1cc(Cl)cc(C#N)c1 ZINC000049639139 KK Annotated Mild COC(=O)c1sc(-c2ccc(Cl)cc2)cc1N(CCCN1CCC(N2CCCCC2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000049639153 KK Annotated Anodyne c1cc2[nH]c(CCCCc3nc4cc(C5=N[C@H]6CCCC[C@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@H]2CCCC[C@H]2N1 ZINC000049639166 KK Annotated Anodyne C[C@@H](CNCc1cn(Cc2cc(Br)cc(Br)c2)c2ccccc12)CNc1cc(=O)c2ccccc2[nH]1 ZINC000049639197 KK Annotated Anodyne c1cc2[nH]c(CCCCCc3nc4cc(C5=N[C@@H]6CCCC[C@@H]6N5)ccc4[nH]3)nc2cc1C1=N[C@@H]2CCCC[C@@H]2N1 ZINC000049639229 KK Annotated Anodyne CN1CCC(C(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)Cc2cccc(F)c2)CC1 ZINC000049639252 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C\C1=O)[S@@](=O)SC(=O)[C@]2(C)O ZINC000049639260 KK Annotated Reactive CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)O[C@@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)=C(C)NC(=[N+]23)N1 ZINC000049639293 KK Annotated Mild Cc1csc(N(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1-c1nc2ccccc2s1 ZINC000049639348 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)Cn3ccc(-c4ccc(C(F)(F)F)cc4)n3)c(Cc3ccccc3)cc2c1 ZINC000049639418 KK Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)Cn3ccc(-c4ccc(C(F)(F)F)cc4)n3)c(Cc3ccccc3)cc2c1 ZINC000049639420 KK Annotated Bother ClCCN(CCCl)CCCCOc1ccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)cc1 ZINC000049639437 KK Annotated Reactive CCn1c2ccc3cc2c2cc(ccc21)CSc1ccccc1NC(=O)COc1cccc(c1)OCC(=O)Nc1ccccc1SC3 ZINC000049639564 KK Annotated Anodyne C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000049639630 KK Annotated Anodyne C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)N1CCN(c2ccccn2)CC1 ZINC000049639632 KK Annotated Anodyne Cc1cc(C)c(CNC(=O)c2c(O)c(O)cc3c(O)c(-c4c(C)cc5c(C(=O)NCc6c(C)cc(C)cc6C)c(O)c(O)cc5c4O)c(C)cc23)c(C)c1 ZINC000049639814 KK Annotated Clean COc1ccccc1Cc1cc(-c2ccc(C)cc2)nnc1N/N=C(C)/C(C)=N/Nc1nnc(-c2ccc(C)cc2)cc1Cc1ccccc1OC ZINC000049639867 KK Annotated Mild COc1ccc(C(=O)Oc2ccc3cc2Oc2ccc(cc2)C[C@H]2c4cc(c(OC)cc4CCN2C)Oc2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1 ZINC000049639918 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Cl)nc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049639957 KK Annotated Anodyne CO[C@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649305 KK Annotated Anodyne CO[C@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@H](OC(=O)c5ccccc5)C(C)(C)[C@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649306 KK Annotated Anodyne CO[C@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649307 KK Annotated Anodyne CO[C@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649308 KK Annotated Anodyne C[C@H](CC[C@@H](C)C(C)(C)C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C ZINC000049649356 KK Annotated Anodyne C[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)O)[C@H]4C[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C[C@]4(C)[C@@]3(C)CC[C@@]21C)C(C)(C)C ZINC000049649357 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649365 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649366 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649367 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649368 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649370 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649371 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649372 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649373 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649377 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649378 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649379 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649380 KK Annotated Mild CO[C@@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649391 KK Annotated Anodyne CO[C@@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@H](OC(=O)c5ccccc5)C(C)(C)[C@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649392 KK Annotated Anodyne CO[C@@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649393 KK Annotated Anodyne CO[C@@]1(C(C)(C)O)CC[C@@H]([C@@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)C(C)(C)[C@H]4C[C@@H](OC(C)=O)[C@@]32C)CO1 ZINC000049649394 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649401 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649402 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649403 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(C)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649404 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649407 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049649408 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649409 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049649410 KK Annotated Mild C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NCCCCC/C=C/c1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049649968 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)[C@@H](C)NC(=[N+]23)N1 ZINC000049649974 KK Annotated Mild CCN(CC)c1ccc2c(-c3cccc(NC(=S)NCCCNCCCCNCCCN)c3C(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000049649990 KK Annotated Bother COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049650008 KK Annotated Bother COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049650010 KK Annotated Anodyne CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H](C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)[C@H](C)NC(=[N+]23)N1 ZINC000049650053 KK Annotated Mild COc1ccccc1Cc1cc(-c2ccccc2)nnc1N/N=C/c1cc(OC)c(OCCOc2c(OC)cc(C=O)cc2OC)c(OC)c1 ZINC000049650058 KK Annotated Mild O=C1[C@]2(CC[C@]13[C@H](c1ccccc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049650094 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@@H](c1ccccc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049650095 KK Annotated Anodyne O=C1[C@]2(CC[C@@]13[C@H](c1ccccc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049650096 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000049650105 KK Annotated Anodyne O=C1[C@]2(CC[C@@]13[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049650108 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049650109 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049650110 KK Annotated Anodyne CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC)cc(OC(C)=O)c(C(=O)CCC)c2OC(C)=O)C1=O ZINC000049650176 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC)cc(OC(C)=O)c(C(=O)CCC)c2OC(C)=O)C1=O ZINC000049650177 KK Annotated Mild C/C=C(\C)C(=O)[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C=C/c2ccccc2)[C@H](C)[C@]1(C)O ZINC000049650337 KK Annotated Mild COc1ccc(-c2cc(Cc3ccccc3OC)c(N/N=C/c3ccc(OCCOc4ccc(C=O)cc4OC)c(OC)c3)nn2)cc1 ZINC000049650347 KK Annotated Mild ClCCN(CCCl)CCOc1ccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)cc1 ZINC000049650379 KK Annotated Reactive COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OC ZINC000049654658 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OC ZINC000049654660 KK Annotated Anodyne CCOC(=O)c1cn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000049654722 KK Annotated Anodyne CCOC(=O)c1cn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000049654724 KK Annotated Anodyne CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc(C(=O)O)c1 ZINC000049654742 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]2O)cc(C(=O)O)c1 ZINC000049654744 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)O)c1 ZINC000049654747 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)O)c1 ZINC000049654749 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)CO)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049654781 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)CO)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049654782 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049654792 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049654794 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049654796 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049654798 KK Annotated Mild CO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](OC)[C@H](C)[C@@H](C(C)C)O1 ZINC000049654843 KK Annotated Anodyne C[C@@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000049669637 KK Annotated Anodyne C[C@H](c1cc(F)ccc1Oc1nc2ccc(-n3cc(-c4ccccc4)nn3)cc2cc1Cc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 ZINC000049669639 KK Annotated Anodyne NCCCOc1ccccc1C(=O)N(Cc1ccc(OCCCN=C(N)N)cc1)c1nc2ccc(Oc3ccc(O)cc3)cc2s1 ZINC000049669720 KK Annotated Mild CCCOc1c(C(=O)NN=C(c2ccccc2)c2ccccc2)sc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1OCCC ZINC000049669865 KK Annotated Reactive CCOP(=O)(OCC)/C(=C/C=C1\OC(/C=C/c2ccccc2)=Nc2c1oc1ccc(Br)cc21)c1ccc(Cl)cc1 ZINC000049669868 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C(\C)c2c[nH]c3ccccc23)sc(C(=O)N/N=C(\C)c2c[nH]c3ccccc23)c1OCCC ZINC000049669876 KK Annotated Reactive C=C[C@@H]1Cc2c(OS(=O)(=O)c3ccc(Br)cc3)ccc(OS(=O)(=O)c3ccc(Br)cc3)c2C[C@@H]1C(=C)C ZINC000049669911 KK Annotated Mild O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049670018 KK Annotated Clean ClCCN(CCCl)CCOc1cccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 ZINC000049670063 KK Annotated Reactive CC(C)(CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 ZINC000049670128 KK Annotated Clean CCN(CC)Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049672434 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672445 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672446 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049672447 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049672448 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672466 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672467 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672471 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672472 KK Annotated Mild c1ccc(P(CCP(c2ccccc2)c2ccccc2)CP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000049672476 KK Annotated Reactive C1CCC(/N=C(\NC2CCCCC2)N(CCCN=C(NC2CCCCC2)NC2CCCCC2)CCN=C(NC2CCCCC2)NC2CCCCC2)CC1 ZINC000049672508 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(CC)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672514 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(CC)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672515 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(CC)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049672516 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(CC)CCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049672517 KK Annotated Mild CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000049672551 KK Annotated Reactive CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000049672552 KK Annotated Reactive CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 ZINC000049672553 KK Annotated Reactive CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 ZINC000049672554 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000049672558 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000049672559 KK Annotated Mild c1ccc2cc(-c3nc4ccccc4c4cc5ccccc5n34)c(-c3nc4ccccc4c4cc5ccccc5n34)cc2c1 ZINC000049672563 KK Annotated Bother c1ccc2c(c1)cc1c3ccccc3nc(-c3ccc(Oc4ccc(-c5nc6ccccc6c6cc7ccccc7n56)cc4)cc3)n21 ZINC000049672575 KK Annotated Bother C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672584 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049672585 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049672586 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049672587 KK Annotated Mild O=Cc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000049677731 KK Annotated Anodyne COc1ccc(CN2CCC(C(=O)Nc3ccc(CNc4nc(N(C)C)nc5cc(C)ccc45)cc3)CC2)cc1 ZINC000049677744 KK Annotated Anodyne Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5cc(Cl)ccn5)CC4)cc3)nc(N(C)C)nc2c1 ZINC000049677747 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(F)c(Br)c1)C(=O)O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 ZINC000049677769 KK Annotated Anodyne O=C1[C@]2(CC[C@@]13[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049677787 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049677790 KK Annotated Anodyne O=C1[C@]2(CC[C@]13[C@@H](c1ccc(F)cc1)C(c1ccccc1)=NN3c1ccccc1)[C@H](c1ccc(F)cc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000049677793 KK Annotated Anodyne C[C@]1(CC(=O)NCc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC2(CCCCC2)OO1 ZINC000049677820 KK Annotated Reactive C[C@@]1(CC(=O)NCc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC2(CCCCC2)OO1 ZINC000049677824 KK Annotated Reactive Cc1cn(CCC(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)c2c(Oc3ccc4ccccc4c3)cc(F)cc12 ZINC000049677834 KK Annotated Anodyne CN1C(=O)[C@H](Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc21 ZINC000049678084 KK Annotated Anodyne CN(C)CCCNc1ccc(NC(=O)c2cccc3c(=O)c4cccc(C(=O)Nc5ccc(NCCCN(C)C)cc5)c4[nH]c23)cc1 ZINC000049678090 KK Annotated Bother O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N2C(=O)c3sc(=S)n(-c4ccccc4)c3N=CN12 ZINC000049678134 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N2C(=O)c3sc(=S)n(-c4ccccc4)c3N=CN12 ZINC000049678137 KK Annotated Anodyne O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N2C(=O)c3sc(=S)n(-c4ccccc4)c3N=CN12 ZINC000049678142 KK Annotated Anodyne O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N2C(=O)c3sc(=S)n(-c4ccccc4)c3N=CN12 ZINC000049678144 KK Annotated Anodyne CO/N=C\c1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000049678419 KK Annotated Mild C[C@@H](CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 ZINC000049678488 KK Annotated Clean C[C@H](CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)cc1 ZINC000049678491 KK Annotated Clean COC(=O)[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cccc2nccnc12 ZINC000049678551 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C\c2c[nH]c3ccccc23)sc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1OCCC ZINC000049678600 KK Annotated Reactive C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000049678686 KK Annotated Anodyne O=C(NCCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2)Nc1cccc(I)c1 ZINC000049678742 KK Annotated Clean NC(=S)Nc1cccc(OCCCCCCCCNC(=S)Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)c1 ZINC000049678854 KK Annotated Anodyne CSc1nn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2nc(-c3ccccc3)c3c(C)c(C#N)c(N)nc3c12 ZINC000049678882 KK Annotated Mild CCCCCCCCCCCCCCCCN(CC)C(=S)SSC(=S)N(CC)CCCCCCCCCCCCCC ZINC000049678906 KK Annotated Reactive C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccc(O)cc2)[C@]23C(=C[C@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000049678956 KK Annotated Anodyne Cc1[nH]c2ccccc2c1C1CCN(CCCCn2c(=O)c(-c3ccccc3Cl)c3n(c2=O)CCCC3)CC1 ZINC000049678984 KK Annotated Anodyne CC(=O)c1c(-c2ccccc2)nc2c3c1nc(C)n(-c1ccccc1)c3nn2-c1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000049678996 KK Annotated Anodyne COCCOCCN/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/NCCOCCOC)c4c3O)c(O)c12 ZINC000049679008 KK Annotated Mild C[C@H](NC(=O)C(C)(C)Nc1ncc(C(F)(F)F)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000049679184 KK Annotated Mild CCn1c2ccccc2c2cc(NC(=S)NCCCCCCCCOc3cccc(NC(N)=S)c3)ccc21 ZINC000049679314 KK Annotated Anodyne C/C(=N\NC(=O)c1sc(C(=O)N/N=C(\C)c2cccs2)c(OCc2ccccc2)c1OCc1ccccc1)c1cccs1 ZINC000049679402 KK Annotated Reactive CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1c1nc2cc(S(=O)(=O)Nc3ccccc3)ccc2n1C ZINC000049679557 KK Annotated Anodyne CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1nc2cc(S(=O)(=O)Nc3ccccc3)ccc2n1C ZINC000049679560 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccc(N(C)C)cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(N(C)C)cc1 ZINC000049679567 KK Annotated Clean CCOP(=O)(OCC)[C@@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccc(N(C)C)cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(N(C)C)cc1 ZINC000049679569 KK Annotated Clean CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@H](c3ccc(N(C)C)cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(N(C)C)cc1 ZINC000049679571 KK Annotated Clean CC1=Nc2c(sc(=S)n2-c2ccccc2)C(=O)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C(=O)N12 ZINC000049679587 KK Annotated Anodyne CC1=Nc2c(sc(=S)n2-c2ccccc2)C(=O)N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C(=O)N12 ZINC000049679592 KK Annotated Anodyne CC1=Nc2c(sc(=S)n2-c2ccccc2)C(=O)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C(=O)N12 ZINC000049679595 KK Annotated Anodyne CC1=Nc2c(sc(=S)n2-c2ccccc2)C(=O)N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C(=O)N12 ZINC000049679597 KK Annotated Anodyne C[C@H](c1ccc(Cl)c(Cl)c1)[C@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O ZINC000049679666 KK Annotated Clean Cc1ccc(-n2c3ccccc3c3cc(NC(=S)NCCCCCCCCOc4cccc(NC(N)=S)c4)ccc32)cc1 ZINC000049679817 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049680027 KK Annotated Clean O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 ZINC000049680030 KK Annotated Clean O=C(N/N=C/c1ccc2c(c1)Cc1ccccc1-2)c1sc(C(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c2c1OCCO2 ZINC000049680057 KK Annotated Reactive C[C@H](c1ccc(Cl)c(Cl)c1)[C@@H](NC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)C(=O)O ZINC000049680077 KK Annotated Clean CCCCn1c2ccccc2c2cc(NC(=S)NCCCCCCCCOc3cccc(NC(N)=S)c3)ccc21 ZINC000049680177 KK Annotated Anodyne CCCCCCCOc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)sc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1OCCCCCCC ZINC000049680188 KK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049680241 KK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(OC)c4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049680246 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c(C(C)=O)cccc43)[nH]c2c(OC)c1OC ZINC000049680300 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c(C(C)=O)cccc43)[nH]c2c(OC)c1OC ZINC000049680303 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCC(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049682582 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCC(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049682585 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCC(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049682586 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCC(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049682589 KK Annotated Mild CCCCCCCCCCCCCCCCC=C(c1cccc2cc(S(=O)(=O)O)ccc12)c1cccc2cc(S(=O)(=O)O)ccc12 ZINC000049683104 KK Annotated Mild O=C(N[C@@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Oc1ccccc1 ZINC000049683393 KK Annotated Anodyne O=C(N[C@H]1C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc2N(C2CCCCC2)C1=O)Oc1ccccc1 ZINC000049683397 KK Annotated Anodyne CC(C)CCN1C(=O)[C@@H](NC(=O)Oc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000049683410 KK Annotated Anodyne CC(C)CCN1C(=O)[C@H](NC(=O)Oc2ccccc2)C(=O)N(CC23CC4CC(CC(C4)C2)C3)c2ccccc21 ZINC000049683413 KK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)cc2c1 ZINC000049694393 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)cc2c1 ZINC000049694394 KK Annotated Reactive CCCCCCCOC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000049694426 KK Annotated Reactive Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)nc(N(C)CCCN(C)C)nc2c1 ZINC000049694427 KK Annotated Anodyne O=C(CCc1cccc2[nH]cc(Cc3ccc4ccccc4c3)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1 ZINC000049694453 KK Annotated Anodyne CCCCCCn1c2ccccc2c2cc(NC(=S)NCCCCCCCCOc3cccc(NC(N)=S)c3)ccc21 ZINC000049694479 KK Annotated Anodyne CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)cc1O ZINC000049694480 KK Annotated Mild in-vivo O=C1CCSSCCC(=O)Nc2nc(nc(-c3ccccc3)n2)NC(=O)CCSSCCC(=O)Nc2nc(nc(-c3ccccc3)n2)N1 ZINC000049694505 KK Annotated Reactive CN(C)c1ccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)cc1 ZINC000049694520 KK Annotated Anodyne CO/N=C\c1ccc(O[C@@H]2OC[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1 ZINC000049694531 KK Annotated Mild CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)cc1O ZINC000049694553 KK Annotated Mild in-vivo CN(C)c1nc(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)c2ccc(I)cc2n1 ZINC000049694566 KK Annotated Anodyne Cc1ccc2sc(NC(=O)CSc3snnc3-c3ccc(Br)cc3Br)nc2c1 ZINC000049694569 KK Annotated Anodyne Nc1nc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(N)nn2c(N)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000049694591 KK Annotated Clean COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049694593 KK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049694594 KK Annotated Reactive O=c1c2ccccc2nc(-c2ccccc2)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000049694596 KK Annotated Mild COc1ccc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC ZINC000049694616 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1OC ZINC000049694617 KK Annotated Anodyne COc1cc(N2C(N)=C(C#N)[C@@H](c3c(OC)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049694622 KK Annotated Reactive COc1cc(N2C(N)=C(C#N)[C@H](c3c(OC)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC ZINC000049694623 KK Annotated Reactive Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(Cl)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 ZINC000049694630 KK Annotated Anodyne FC(F)(F)c1cccc2c(N3CCN(C4CCCCC4)CC3)c(-c3nnc(S)n3Cc3ccccc3)cnc12 ZINC000049694636 KK Annotated Anodyne O=c1c2ccccc2nc(-c2c(F)cccc2F)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000049694641 KK Annotated Mild CCCCCCCCCCCCCCC(=O)C(=O)NCCCC(=O)N(C)S(=O)(=O)c1ccc(C)cc1 ZINC000049694660 KK Annotated Mild Cc1ccc2c(NCc3ccc(NC(=O)C4CCN(Cc5ccccc5)CC4)cc3)nc(N(C)CCN(C)C)nc2c1 ZINC000049694673 KK Annotated Anodyne C=C(C)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(=C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000049694680 KK Annotated Mild O=c1c2ccccc2nc(C(F)(F)F)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000049694685 KK Annotated Mild CO[C@H]1O[C@@H]([C@H](N=[N+]=[N-])C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@@H](OCc3ccccc3)CO[C@@H]12 ZINC000049694690 KK Annotated Clean CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049694699 KK Annotated Anodyne COc1cc2c(cc1OC(C)C)CCn1cc(-c3ccc(Br)cc3)c(-c3cc(OC)c(OC)c(OC)c3)c1-2 ZINC000049694703 KK Annotated Anodyne Cc1ccc(C(=O)NCC2=C[C@@H]3Oc4ccccc4C(=O)C3=CN2c2ncc(Br)cc2Br)cc1 ZINC000049694704 KK Annotated Mild COCCN/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/NCCOC)c4c3O)c(O)c12 ZINC000049694710 KK Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)cc2c1 ZINC000049694714 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)cc2c1 ZINC000049694715 KK Annotated Reactive Cc1nnc(-c2c(-c3nnc(C4(C(F)(F)F)CC4)o3)nn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)s1 ZINC000049694716 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@H](c2ccccc2Br)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049694733 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@@H](N=[N+]=[N-])C(=O)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@]2(OCc3ccccc3)[C@@H](OCc3ccccc3)CO[C@@H]12 ZINC000049694742 KK Annotated Clean N=C1C(=S)N(c2ccc(I)cc2)C(=O)N1c1cc(Cl)c(Cl)cc1Cl ZINC000049694763 KK Annotated Anodyne C=CCCC(=O)O/N=C1\CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(=C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000049694765 KK Annotated Mild Cc1cc(C)cc(Sc2c(Cn3cnc(-c4ccccc4)n3)c(C)[nH]c(=O)c2I)c1 ZINC000049694780 KK Annotated Anodyne C[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@@H](N)Cc4ccccc4)nn3)nn2)nn1 ZINC000049694794 KK Annotated Anodyne S=c1[nH]nc(Cc2csc3nc(-c4ccc(Br)cc4)cn23)n1-c1ccc(Br)cc1 ZINC000049694804 KK Annotated Anodyne NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c(=S)[nH]c3=S)cc1 ZINC000049694807 KK Annotated Mild NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c(=S)[nH]c3=S)cc1 ZINC000049694808 KK Annotated Mild CC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](C)c4ccccc4)nn3)nn2)nn1 ZINC000049694853 KK Annotated Anodyne CC(C)(C)c1cc(C(=O)NCCCC(=O)O[C@H]2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)cc(C(C)(C)C)c1O ZINC000049694866 KK Annotated Anodyne CC(C)(C)c1cc(C(=O)NCCCC(=O)O[C@@H]2N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC2=O)cc(C(C)(C)C)c1O ZINC000049694867 KK Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(N4CCN(C(=O)c5ccc(N6CCN(CC=C(c7ccccc7)c7ccccc7)CC6)cc5)CC4)ccc(c23)C1=O ZINC000049694872 KK Annotated Anodyne CN(C)CCN1C(=O)c2cccc3c(NCCCCCCNCC=C(c4ccccc4)c4ccccc4)ccc(c23)C1=O ZINC000049694873 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)Nc1nc(cs1)C(C)(C)CCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049694936 KK Annotated Mild CC(C)=CCc1c(O)cc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2)cc1O ZINC000049694946 KK Annotated Mild in-vivo Cn1cc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc32)c2ccccc21 ZINC000049694965 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(C(C)=O)c1=O ZINC000049694975 KK Annotated Mild O=C(NCCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2)c1ccc(I)cc1 ZINC000049694976 KK Annotated Clean C=CCCCCOc1cc(OC)ccc1S(=O)(=O)N(C[C@H](C)CC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000049694983 KK Annotated Mild CCCCCCCCCCCCN=c1ccn(CCCCCCCCCCCCn2ccc(=NCCCCCCCCCCCC)cc2)cc1 ZINC000049694988 KK Annotated Mild CCC/N=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000049694992 KK Annotated Mild CCCNCC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000049694994 KK Annotated Anodyne CC(=O)Nc1nc(Cl)c2c(ncn2[C@@H]2O[C@H](COC(C)=O)[C@@H](OCc3ccccc3)[C@@]3(OCc4ccccc4)[C@@H](OCc4ccccc4)CO[C@@H]23)n1 ZINC000049695000 KK Annotated Anodyne Cc1cc(C)cc(-n2c3ccccc3c3cc(NC(=S)NCCCCCCCCOc4cccc(NC(N)=S)c4)ccc32)c1 ZINC000049695022 KK Annotated Anodyne O=C(OC[C@H]1O[C@@H](Oc2ccc(/C=N\O)cc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000049695024 KK Annotated Mild FC(F)(F)c1cccc2c(N3CCN(C4CCCCC4)CC3)c(-c3nnc(S)n3-c3ccccc3)cnc12 ZINC000049695037 KK Annotated Anodyne C=C(C)C[C@]1(O)CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(=C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C ZINC000049695039 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2cccc3ccccc23)N[C@H](c2cccc3ccccc23)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049695063 KK Annotated Anodyne CC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)OC(C)=O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049695085 KK Annotated Anodyne O=C(NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br)c1ccc(Cl)cc1 ZINC000049695094 KK Annotated Mild CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000049695114 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C(C)=O)ccc43)[nH]c2c(OC)c1OC ZINC000049695119 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C(C)=O)ccc43)[nH]c2c(OC)c1OC ZINC000049695121 KK Annotated Reactive CN(C)CCN1C(=O)c2cccc3c(N4CCN(CC=C(c5ccccc5)c5ccccc5)CC4)ccc(c23)C1=O ZINC000049695139 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049695217 KK Annotated Mild O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(I)ccc2-c2n[nH]cc2[C@@H]1C1CC1 ZINC000049695220 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1c2cc(I)ccc2-c2n[nH]cc2[C@H]1C1CC1 ZINC000049695221 KK Annotated Anodyne FC(F)(F)c1nc(OCc2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)c2ccccc2n1 ZINC000049695228 KK Annotated Mild CC(C)=CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 ZINC000049695245 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)N(Cc2ccccc2)[C@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049695260 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\OC(=O)CC)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049695284 KK Annotated Mild Cc1cc(C)cc(Sc2c(Cn3cc(Br)cn3)c(C)[nH]c(=O)c2I)c1 ZINC000049695327 KK Annotated Anodyne COc1ccc([C@@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000049695339 KK Annotated Anodyne COc1ccc([C@H]2C[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000049695340 KK Annotated Anodyne COc1ccc([C@@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000049695341 KK Annotated Anodyne COc1ccc([C@H]2C[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OP(=O)(OCc1ccccc1)OCc1ccccc1 ZINC000049695342 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCC(=O)O[C@H]1N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC1=O)O2 ZINC000049695377 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCC(=O)O[C@@H]1N=C(c3ccccc3Cl)c3cc(Cl)ccc3NC1=O)O2 ZINC000049695378 KK Annotated Anodyne O=C(NN1C(=O)CS[C@H]1c1ccccc1Br)c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Br)cc1 ZINC000049695395 KK Annotated Anodyne O=C(NN1C(=O)CS[C@H]1c1ccccc1Br)c1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccccc2Br)cc1 ZINC000049695396 KK Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1ccccc1Br)c1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2Br)cc1 ZINC000049695397 KK Annotated Anodyne CCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CC)[C@@H](OC(=O)CC)C(C)(C)OC(=O)CC)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049695404 KK Annotated Anodyne CN(C)c1ccc(C(=O)O)c(Oc2nc(Oc3cccc(-c4cccc(CN)c4)c3)c(F)c(N3CCNCC3)c2F)c1 ZINC000049695418 KK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1ccccc1Cl ZINC000049695429 KK Annotated Anodyne CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000049695438 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000049695439 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000049695440 KK Annotated Mild CCOC(=O)Cc1csc(N/N=C2\C[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)[C@@H]2C)n1 ZINC000049695441 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@](C)(CC[C@@H]4[C@@]5(C)CC/C(=N\OC(=O)C(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049695453 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)[nH]c2c(OC)c1OC ZINC000049695563 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)[nH]c2c(OC)c1OC ZINC000049695564 KK Annotated Reactive Cc1ccc([C@@H]2[C@H](c3ccc(C)cc3)[C@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049695569 KK Annotated Anodyne Cc1cc(C)cc(Sc2c(Cn3nc(-c4ccco4)nc3C)c(C)[nH]c(=O)c2I)c1 ZINC000049695577 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2Cl)N[C@H](c2ccc(Cl)cc2Cl)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049695578 KK Annotated Anodyne Nc1nc(-c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)cc(-c2cccs2)n1 ZINC000049695597 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)NC(=O)c2ccc(OC)cc2)[C@@]2(C)[C@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1OP(=O)(O)O ZINC000049695602 KK Annotated Mild CCc1c2ccc(n2)c(-c2ccc(O)c(C[N+](C)(C)C)c2)c2ccc([nH]2)c(CC)c2ccc([nH]2)c(-c2ccc(O)c(C[N+](C)(C)C)c2)c2ccc1n2 ZINC000049707761 KK Annotated Clean CCc1c2ccc(n2)c(-c2ccc(OC)c(C[N+](C)(C)C)c2)c2ccc([nH]2)c(CC)c2ccc([nH]2)c(-c2ccc(OC)c(C[N+](C)(C)C)c2)c2ccc1n2 ZINC000049707834 KK Annotated Bother CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C=C/C(=O)O ZINC000049708111 KK Annotated Anodyne COc1ccc(-c2cn3c(c2-c2cc(OC)c(OC)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1O ZINC000049708299 KK Annotated Anodyne COC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3CCl ZINC000049708369 KK Annotated Reactive COC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@H]3CCl ZINC000049708372 KK Annotated Reactive O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 ZINC000049708380 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 ZINC000049708382 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 ZINC000049708385 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 ZINC000049708387 KK Annotated Reactive CCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)OCCCCCCCCC[C@H]4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N1)N23 ZINC000049708402 KK Annotated Mild COc1ccc(C(=O)NCC2=C[C@@H]3Oc4ccccc4C(=O)C3=CN2c2ncc(Br)cc2Br)cc1 ZINC000049708461 KK Annotated Mild C[C@H](c1nc2c(C3CC3)nccn2c1-c1ccc(C#N)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000049708466 KK Annotated Mild CCCOc1c(C(=O)N/N=C(/C)c2ccc(Br)s2)sc(C(=O)N/N=C(/C)c2ccc(Br)s2)c1OCCC ZINC000049708468 KK Annotated Reactive O=[N+]([O-])c1ccc([C@@H]2O[C@@H]3C(c4ccc(Cl)cc4)=Nc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049708471 KK Annotated Bother O=[N+]([O-])c1ccc([C@@H]2O[C@H]3C(c4ccc(Cl)cc4)=Nc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000049708474 KK Annotated Bother O=[N+]([O-])c1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049708477 KK Annotated Bother Cc1ccc2ccc(C(=O)NCC3=C[C@@H]4Oc5ccccc5C(=O)C4=CN3c3ncc(Br)cc3Br)cc2c1 ZINC000049708501 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049708509 KK Annotated Anodyne C[C@H](c1ccccc1)N1CCC(=O)[C@]2(C1)ON(c1ccccc1)[C@@H](c1ccccc1)[C@H]2c1ccccc1Cl ZINC000049708596 KK Annotated Anodyne O=C(NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br)c1ccc(F)cc1 ZINC000049708625 KK Annotated Mild O=C(NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br)c1ccc2ccccc2c1 ZINC000049708627 KK Annotated Mild O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cnc1Br ZINC000049708695 KK Annotated Clean COc1cc(OC)cc(C(=O)N(CCC[C@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(Cl)cc2)c1 ZINC000049708704 KK Annotated Anodyne COc1cc(OC)cc(C(=O)N(CCC[C@@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(Cl)cc2)c1 ZINC000049708706 KK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3ccc(Cl)cc3)[C@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049708778 KK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)cc2c1 ZINC000049708780 KK Annotated Reactive CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)cc2c1 ZINC000049708783 KK Annotated Reactive Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6CC[C@H](O)CCCN6[C@@H]43)C5)nccc12 ZINC000049708785 KK Annotated Anodyne COC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(Cl)cc4)c3)nn2CCCN2CCOCC2)C1 ZINC000049708823 KK Annotated Mild Cc1cc(C)cc(Sc2c(CSCCc3cnccn3)c(C)[nH]c(=O)c2I)c1 ZINC000049708831 KK Annotated Anodyne CCc1ccc(C(=O)NCC2=C[C@@H]3Oc4ccccc4C(=O)C3=CN2c2ncc(Br)cc2Br)cc1 ZINC000049708838 KK Annotated Mild CC[C@@]1(O)CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@@H]1CC4)[C@H]23 ZINC000049708865 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccc([N+](=O)[O-])cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000049708908 KK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccc([N+](=O)[O-])cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000049708910 KK Annotated Bother CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@H](c3ccc([N+](=O)[O-])cc3)P(=O)(OCC)OCC)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000049708913 KK Annotated Bother Cc1ccc([C@H]2[C@@H](c3ccccc3Cl)[C@@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049708973 KK Annotated Anodyne O=C(COc1ccccc1)NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br ZINC000049708991 KK Annotated Mild Cc1ccc([C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709021 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 ZINC000049709047 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 ZINC000049709049 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 ZINC000049709051 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 ZINC000049709054 KK Annotated Reactive COc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)oc2Sc2nc3ccccc3s2)c(OC)c1OC ZINC000049709077 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)sc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1OCCC ZINC000049709089 KK Annotated Reactive CCCOc1c(C(=O)N/N=C(/c2ccccc2)c2ccncc2)sc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)c1OCCC ZINC000049709092 KK Annotated Reactive C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(Br)cc2)N[C@H]1c1ccc(Br)cc1 ZINC000049709116 KK Annotated Mild C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000049709119 KK Annotated Mild C[C@@H]1/C(=N/N=C2\NC(=O)CS2)C[C@@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000049709121 KK Annotated Mild Cc1ccc([C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049709124 KK Annotated Anodyne O=[N+]([O-])c1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049709132 KK Annotated Bother CC(=O)OC(C)(C)[C@H](OC(=O)C(C)C)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)C(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)C(C)C ZINC000049709142 KK Annotated Anodyne Cc1ccc([C@@H]2[C@H](c3ccccc3)N(c3ccccc3)O[C@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049709177 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C\c2ccc3c(c2)Cc2ccccc2-3)sc(C(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c1OCCC ZINC000049709233 KK Annotated Reactive CC1(C)OC(=O)C2(C(=O)O1)[C@H](c1ccccc1)CC(=O)C[C@@H]2c1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1 ZINC000049709282 KK Annotated Anodyne C=C1[C@@H](OC(=O)CCc2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000049709303 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2C)N(C)[C@H](c2ccccc2C)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049709306 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(C)[C@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049709318 KK Annotated Anodyne CCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)O[C@@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N23 ZINC000049709326 KK Annotated Mild CCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N23 ZINC000049709328 KK Annotated Mild CCCOc1c(C(=O)N[C@@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@H](C)Sc3sccc32)c1OCCC ZINC000049709380 KK Annotated Anodyne CCCOc1c(C(=O)N[C@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@H](C)Sc3sccc32)c1OCCC ZINC000049709382 KK Annotated Anodyne CCCOc1c(C(=O)N[C@@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCC ZINC000049709385 KK Annotated Anodyne CCCOc1c(C(=O)N[C@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@H](C)Sc3sccc32)c1OCCC ZINC000049709387 KK Annotated Anodyne O=C(NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br)c1ccccc1 ZINC000049709420 KK Annotated Mild Cc1ccc([C@@H]2[C@H](c3ccccc3)[C@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709504 KK Annotated Anodyne O=C(NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br)c1cccc(Cl)c1 ZINC000049709540 KK Annotated Mild CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3C[C@H](OC(C)=O)C4=CO[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)CC[C@@H]12 ZINC000049709573 KK Annotated Anodyne COc1cc([C@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(OC)c1OC ZINC000049709667 KK Annotated Anodyne COc1cc([C@@H]2Sc3ccccc3C(=O)N2c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(OC)c1OC ZINC000049709670 KK Annotated Anodyne C[C@H](C(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000049709676 KK Annotated Mild C[C@@H](C(=O)Nc1c(C#N)c2n(c1C(=O)Nc1ccc(Cl)cc1)CCC2)c1ccc(C(=O)c2ccccc2)cc1 ZINC000049709679 KK Annotated Mild Cc1ccc([C@@H]2[C@H](c3ccccc3Cl)[C@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049709704 KK Annotated Anodyne Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 ZINC000049709842 KK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 ZINC000049709845 KK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 ZINC000049709847 KK Annotated Reactive Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 ZINC000049709851 KK Annotated Reactive CCCOc1c(C(=O)N/N=C(/C)c2ccsc2)sc(C(=O)N/N=C(/C)c2ccsc2)c1OCCC ZINC000049709864 KK Annotated Reactive COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@H](O)[C@H](Br)c1cccc(c1)O2 ZINC000049709878 KK Annotated Reactive COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@@H](O)[C@H](Br)c1cccc(c1)O2 ZINC000049709883 KK Annotated Reactive COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@H](O)[C@@H](Br)c1cccc(c1)O2 ZINC000049709885 KK Annotated Reactive COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@@H](O)[C@@H](Br)c1cccc(c1)O2 ZINC000049709889 KK Annotated Reactive COc1ccc(/C=C2/CCN3[C@@H](CCC2=O)C[C@]24CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]2CC5)[C@H]34)cc1OC ZINC000049710002 KK Annotated Mild O=C1CC[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1c(Cl)cccc1Cl ZINC000049710150 KK Annotated Mild CCCOc1c(C(=O)N/N=C(/C)c2cc(Cl)sc2Cl)sc(C(=O)N/N=C(/C)c2cc(Cl)sc2Cl)c1OCCC ZINC000049710153 KK Annotated Reactive CC(C)(C)OC(=O)NCc1ccc(Nc2nnc(-c3ccc(OCC(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c([N+](=O)[O-])c3)o2)cc1 ZINC000049710162 KK Annotated Bother CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccccc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000049710220 KK Annotated Anodyne CN1CCc2c([nH]c3ccccc23)[C@@H]1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000049710243 KK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)s3)c2)c1 ZINC000049710274 KK Annotated Anodyne COc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049710347 KK Annotated Anodyne Cc1c(NC(=O)COc2ccc(Cl)cc2C(=O)c2cc(F)cc(C(F)(F)F)c2)ccc2ncsc12 ZINC000049710402 KK Annotated Anodyne O=C1CC[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1ccc(F)cc1 ZINC000049710491 KK Annotated Mild O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@]1(C(=O)O)C[C@@H](OCc3ccccc3)CN1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000049710636 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@@]1(C(=O)O)C[C@H](OCc3ccccc3)CN1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000049710639 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@]1(C(=O)O)C[C@@H](OCc3ccccc3)CN1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000049710643 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)[C@]1(C(=O)O)C[C@H](OCc3ccccc3)CN1[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000049710646 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@H]3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000049710695 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 ZINC000049710697 KK Annotated Anodyne Cc1nc(-c2ccc(C(F)(F)F)cn2)sc1C(=O)N1CCc2cc3nccc(N4CCN5CCC[C@H]5C4)c3cc21 ZINC000049710736 KK Annotated Anodyne CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](Cc4ccc(OC(C)(C)C)cc4)N[C@@]4(C(=O)N(Cc5ccc(C(C)(C)C)cc5)c5ccccc54)[C@@H]3C2=O)cc1 ZINC000049710757 KK Annotated Anodyne O=C(Cn1c(CCc2cccc(F)c2F)cc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(CCO)CC1 ZINC000049710887 KK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049710903 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C(\C)c2cccs2)sc(C(=O)N/N=C(\C)c2cccs2)c1OCCC ZINC000049710934 KK Annotated Reactive C[C@H](c1ccccc1)N1CCC[C@@]2(C1)ON(c1ccccc1)[C@H](c1ccccc1)[C@@H]2c1cccc2ccccc12 ZINC000049710973 KK Annotated Anodyne Cc1ccc([C@H]2[C@@H](c3ccc(C)cc3)[C@@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049710975 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C(/C)c2ccsc2Br)sc(C(=O)N/N=C(/C)c2ccsc2Br)c1OCCC ZINC000049710982 KK Annotated Reactive N/N=C1/CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(O)cccc56)[C@@H]1CC4)[C@H]23 ZINC000049710987 KK Annotated Mild COc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5cc(SC)ccc5[nH]c34)cc2)cc1OC ZINC000049711054 KK Annotated Bother CC(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049711066 KK Annotated Anodyne CC(C)(C)Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049711739 KK Annotated Anodyne C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H](/C=C(\C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049720397 KK Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C=C/C(=O)OC ZINC000049720454 KK Annotated Anodyne N#Cc1ccc(N(CCNS(=O)(=O)c2cc(Br)c(Cl)s2)Cc2ccccc2C(F)(F)F)cc1C(F)(F)F ZINC000049722519 KK Annotated Mild COc1ccc(CN(C)CCCCc2ccc(NC(=O)COc3cccc4sc5ccccc5c(=O)c34)cc2)cc1OC ZINC000049722520 KK Annotated Bother C=CCOC(=O)O[C@@H]1[C@@H](OC(=O)OCC=C)[C@@H](OC)O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(=O)OCC=C ZINC000049722527 KK Annotated Mild COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H](C)CN(C)C)cc1F ZINC000049722528 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H](C)CN(C)C)cc1F ZINC000049722529 KK Annotated Anodyne CCCCCCCN(Cc1ccc(OC(C)(C)C(=O)OCC)cc1)C(=O)Nc1ccc(Cl)cc1OCC ZINC000049722551 KK Annotated Mild O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722556 KK Annotated Anodyne O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049722557 KK Annotated Anodyne CC(C)CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049722573 KK Annotated Anodyne COc1ccc(/C=C2/CCN3[C@@H](CCC2=O)C[C@]24CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]2CC5)[C@H]34)cc1 ZINC000049722576 KK Annotated Mild Cc1cc(F)ccc1-c1nc(NCCCNCCc2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000049722596 KK Annotated Anodyne Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(Br)cc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc21 ZINC000049722616 KK Annotated Anodyne CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049722629 KK Annotated Anodyne CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049722630 KK Annotated Anodyne COc1ccccc1Oc1c(N(C)S(=O)(=O)c2ccc(C(C)C)cc2)nc(C(F)(F)F)nc1N(C)S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000049722633 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C4OCCO4)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)OC[C@@H]2COCO2)[C@]13C(=O)OC(c1ccccc1)c1ccccc1 ZINC000049722638 KK Annotated Anodyne CC(C)C1=C[C@H]2C[C@]3(C4OCCO4)[C@@H]4CC[C@@H](C)[C@H]4C[C@@]2(C(=O)OC[C@H]2COCO2)[C@]13C(=O)OC(c1ccccc1)c1ccccc1 ZINC000049722639 KK Annotated Anodyne CCOC(=O)/C(=N\O[C@H](C(=O)OC(C)(C)C)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000049722640 KK Annotated Mild CCOC(=O)/C(=N\O[C@@H](C(=O)OC(C)(C)C)c1ccccc1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000049722641 KK Annotated Mild CCCCOc1cc(OC)c2ccccc2c1CCNCCCCNCCc1c(OCCCC)cc(OC)c2ccccc12 ZINC000049722647 KK Annotated Anodyne Cc1ccc([C@H]2N(c3ccccc3)O[C@H](c3ccccc3)[C@@]23CN([C@H](C)c2ccccc2)CCC3=O)cc1 ZINC000049722655 KK Annotated Anodyne COC(=O)CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CC(=O)CCCN6[C@@H]43)C5)c21 ZINC000049722672 KK Annotated Mild COC(=O)c1cc2c([nH]c3ccccc32)c(C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)n1 ZINC000049722673 KK Annotated Anodyne Cn1nccc1C(=O)NCCNCc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000049722683 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000049722688 KK Annotated Anodyne Cc1cc(F)ccc1-c1nc(N(C)CCN(C)C(=O)N(C)c2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F ZINC000049722698 KK Annotated Anodyne COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)N1 ZINC000049722720 KK Annotated Anodyne COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2=C[C@@]3(O)CC/C=C\CCCCN4CC[C@@H]2[C@]2(C[C@@H]5C=CCCCCN5[C@@H]32)C4)N1 ZINC000049722721 KK Annotated Anodyne COc1ccc([C@@H](CCCNC(=O)c2cnoc2C)N2Cc3c(cccc3N3CCN([C@H](C)c4ccccc4)CC3)C2=O)cc1OC ZINC000049722754 KK Annotated Anodyne O=C(NCCCc1ccccc1)c1csc([C@@H]2CCCN(C(=O)c3ccc(O)c(-c4cccc5ccccc45)c3)C2)n1 ZINC000049722769 KK Annotated Anodyne O=C(NCCCc1ccccc1)c1csc([C@H]2CCCN(C(=O)c3ccc(O)c(-c4cccc5ccccc45)c3)C2)n1 ZINC000049722770 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@H](c2ccc(C)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049722772 KK Annotated Anodyne Cc1nnc(-c2c(-c3nnc(C(C)(C)C)o3)nn(-c3ccc(Cl)cc3Cl)c2-c2ccc(Br)cc2)o1 ZINC000049722781 KK Annotated Anodyne COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2cc(F)cc(F)c2)cc1)C(C)(C)C ZINC000049722785 KK Annotated Reactive Cc1ccc(NC(=O)CSc2snnc2-c2ccc(Br)cc2Br)c([N+](=O)[O-])c1 ZINC000049722799 KK Annotated Bother COc1cc(-c2c(-c3cc(OC)c(OC(C)C)cc3OS(C)(=O)=O)cn3c2-c2cc(OC)c(OC(C)C)cc2CC3)ccc1OC(C)C ZINC000049722800 KK Annotated Anodyne COc1cc(OS(C)(=O)=O)c(-c2cn3c(c2-c2ccc(OC(C)C)c(OC)c2)-c2cc(OC)c(OC(C)C)cc2CC3)cc1OC ZINC000049722802 KK Annotated Anodyne Cc1ccc(Nc2nc(N/N=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000049722825 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)N(Cc2ccccc2)[C@H](c2ccc(OC)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049722837 KK Annotated Anodyne CC(=O)c1cc(I)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000049722846 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(Sc4ccc(Nc5c6ccc(Cl)cc6nc6ccc(OC)cc56)cc4)cc3)c2c1 ZINC000049722853 KK Annotated Clean Cc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)nc3c2[C@H]2CCCN2C(=O)N3c2ccccc2)cc1 ZINC000049722861 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NNc2nc(-c3ccccc3)nc3c2[C@@H]2CCCN2C(=O)N3c2ccccc2)cc1 ZINC000049722862 KK Annotated Anodyne CCCCCn1c2ccccc2c2cc(NC(=S)NCCCCCCCCOc3cccc(NC(N)=S)c3)ccc21 ZINC000049722866 KK Annotated Anodyne COc1cc(-c2c(-c3cc(F)ccc3OC)cn3c2-c2cc(OC)c(OC(C)C)cc2CC3)ccc1OC(C)C ZINC000049722869 KK Annotated Anodyne CC(C)(C)c1ccc(CNCCOc2ccc(Nc3nnc(-c4ccc(-c5ncc[nH]5)cc4)o3)c3ccccc23)cc1 ZINC000049722873 KK Annotated Anodyne FC(F)(F)COc1c(CCNCCCCNCCc2ccc3ccccc3c2OCC(F)(F)F)ccc2ccccc12 ZINC000049722876 KK Annotated Anodyne FC(F)(F)c1cccc2c(N3CCC(N4CCOCC4)CC3)c(-c3nnc(S)n3-c3ccccc3)cnc12 ZINC000049722882 KK Annotated Anodyne C[C@@H](CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1 ZINC000049722890 KK Annotated Clean C[C@H](CNC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)c1ccc(Cl)c(Cl)c1 ZINC000049722891 KK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(Nc2nnc(-c3cccc(C(=O)NCCC(c4ccccc4)c4ccccc4)c3)o2)cc1 ZINC000049722913 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000049722936 KK Annotated Mild O=C(NCCCCN1CCC(c2ccc3c(c2OCCN2CCCC2=O)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049722941 KK Annotated Anodyne COc1cc(C(=O)N2[C@@H](c3nccs3)[C@@H](C(=O)N(OC)[C@@H](C)c3ccccc3)C[C@@]2(CC(C)C)C(=O)OC(C)(C)C)ccc1C(C)(C)C ZINC000049722947 KK Annotated Anodyne COc1cc(C(=O)N2[C@@H](c3nccs3)[C@H](C(=O)N(OC)[C@@H](C)c3ccccc3)C[C@@]2(CC(C)C)C(=O)OC(C)(C)C)ccc1C(C)(C)C ZINC000049722949 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000049722958 KK Annotated Anodyne Cc1cc(OC[C@@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(OC[C@@H]5CCCO5)c4c3)ccc2n1 ZINC000049722985 KK Annotated Anodyne Cc1cc(OC[C@@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(OC[C@H]5CCCO5)c4c3)ccc2n1 ZINC000049722986 KK Annotated Anodyne Cc1cc(OC[C@H]2CCCO2)c2cc(NC(=O)C(=O)Nc3ccc4nc(C)cc(OC[C@H]5CCCO5)c4c3)ccc2n1 ZINC000049722987 KK Annotated Anodyne N#Cc1ccc(N(CCOc2ccc3c(c2)CCC(=O)N3)Cc2ccccc2C(F)(F)F)cc1C(F)(F)F ZINC000049723008 KK Annotated Mild CN1c2ccccc2Sc2cc(CNCCSCCNCc3ccc4c(c3)Sc3ccccc3N4C)ccc21 ZINC000049723018 KK Annotated Anodyne Cc1ccc(NC(=O)CSc2snnc2-c2ccc(Br)cc2Br)c(Br)c1 ZINC000049723039 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(Br)cc2)c2ncccc2c1 ZINC000049723042 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(Br)cc2)c2ncccc2c1 ZINC000049723043 KK Annotated Anodyne Cc1cc(C)cc(Oc2c(CNC(=O)c3cc4ccccc4o3)c(C)[nH]c(=O)c2I)c1 ZINC000049723057 KK Annotated Anodyne CC(C)[C@H](N)c1cn([C@@H](Cc2ccccc2)c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)nn1 ZINC000049723060 KK Annotated Anodyne CC(C)[C@H](N)c1cn([C@H](c2cn([C@@H](Cc3ccccc3)c3cn([C@H](c4cn([C@H](C)c5ccccc5)nn4)C(C)C)nn3)nn2)C(C)C)nn1 ZINC000049723061 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)C[C@@H](C)CC(C)(C)C)c2ncccc2c1 ZINC000049723063 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)C[C@@H](C)CC(C)(C)C)c2ncccc2c1 ZINC000049723064 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)C[C@H](C)CC(C)(C)C)c2ncccc2c1 ZINC000049723065 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)C[C@H](C)CC(C)(C)C)c2ncccc2c1 ZINC000049723066 KK Annotated Anodyne COC(=O)c1ccccc1COc1ccc(CC2(NC(=O)[C@H](Nc3ccc(C#N)c4ccccc34)C(C)(C)C)CCCC2)cc1 ZINC000049723113 KK Annotated Mild CSc1nn(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)c2nc(-c3ccccc3)c(C(C)=O)c(N)c12 ZINC000049723121 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(Nc2nnc(-c3ccc(OCC(=O)NCc4ccc(C(C)(C)C)cc4)c([N+](=O)[O-])c3)o2)cc1 ZINC000049723151 KK Annotated Bother CS(=O)(=O)c1ccc2c(c1)CCN(CCC1CCC(/N=C(O)\C(=C\c3cccc(C#N)c3)c3ccc(-c4ccccc4)cc3)CC1)CC2 ZINC000049723157 KK Annotated Mild C[N+](C)(CCCC(=O)c1ccc(C(=O)CCC[N+](C)(C)Cc2ccccc2Cl)cc1)Cc1ccccc1Cl ZINC000049723162 KK Annotated Bother Cc1ccc([C@H]2[C@@H](c3ccccc3)[C@@]3(CN([C@H](C)c4ccccc4)CCC3=O)ON2c2ccccc2)cc1 ZINC000049723173 KK Annotated Anodyne CC(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl ZINC000049723177 KK Annotated Reactive CC(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl ZINC000049723178 KK Annotated Reactive COc1cc(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2Cl)c2ncccc2c1 ZINC000049723180 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2Cl)c2ncccc2c1 ZINC000049723181 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000049723189 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@@]3(C(=O)N(Cc4ccc(C(C)(C)C)cc4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000049723190 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)N(C(C)C)CCC/C=C/c1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000049723218 KK Annotated Mild N#Cc1ccc(N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCC(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000049723229 KK Annotated Mild COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)-c1nc(NN)sc1-c1cccc(c1)O2 ZINC000049723243 KK Annotated Anodyne Cc1ccc(Nc2nccc(Nc3ccc4c(c3)nc(Nc3cc(C(C)(C)C)on3)n4C)n2)cc1S(C)(=O)=O ZINC000049723256 KK Annotated Anodyne O=C(NCCCCN1CCC(c2ccc3c(c2OCCO)CCCC3)CC1)c1ccc2oc(-c3ccc(C(F)(F)F)cc3)cc2c1 ZINC000049723257 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3c2CCC3)CC1 ZINC000049723261 KK Annotated Anodyne COc1ccc(-c2ccc(C(=O)N(C)Cc3cscn3)c(N3CCC(N4CCc5ccccc5C4)CC3)n2)cc1 ZINC000049723262 KK Annotated Anodyne COc1cccc(C(=O)N(CCC[C@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(OC)c(OC)c2)c1 ZINC000049723267 KK Annotated Anodyne COc1cccc(C(=O)N(CCC[C@@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(OC)c(OC)c2)c1 ZINC000049723268 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Cl)c(Br)c1)C(=O)O)c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12 ZINC000049723271 KK Annotated Anodyne FC(F)(F)c1ccccc1OCc1cc(-c2ccncc2)c(COc2ccccc2C(F)(F)F)cc1C1=CCNCC1 ZINC000049723294 KK Annotated Anodyne O=C(Cc1ccsc1)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000049723297 KK Annotated Anodyne C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@H](C)C1 ZINC000049723299 KK Annotated Anodyne C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000049723300 KK Annotated Anodyne O=C(NCc1cccc2ccccc12)[C@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049723314 KK Annotated Anodyne O=C(NCc1cccc2ccccc12)[C@@H](c1cc2ccccc2o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000049723315 KK Annotated Anodyne Cn1c(SCCCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000049723357 KK Annotated Bother OC(/C=C/c1ccc(Cl)c(Cl)c1)=N/CCCCCN1CCC(CC/N=C(/O)c2ccc3c(c2)OCO3)CC1 ZINC000049723361 KK Annotated Mild COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000049733690 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)OCC/C=C/[C@H](OC)C[C@H](C)C/C=C(\C)[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000049733692 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000049733816 KK Annotated Anodyne CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(F)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000049734131 KK Annotated Reactive CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(F)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000049734132 KK Annotated Reactive CC1(C)CC2=NC(SSC3=C(C#N)[C@@H](c4ccc(F)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(F)cc3)C2=C(O)C1 ZINC000049734134 KK Annotated Reactive C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/C1CCCCC1 ZINC000049735185 KK Annotated Mild CCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2nc(-c3ccc(-c4cc(C(=O)O)on4)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000049735217 KK Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C=C/C(=O)OC ZINC000049739208 KK Annotated Anodyne CC(=O)c1ccc(NC(=O)CSc2snnc2-c2ccc(Br)cc2Br)c(Br)c1 ZINC000049744785 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744867 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744870 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744873 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1F)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000049744875 KK Annotated Anodyne O=C(NCCC1=CCCCC1)c1ccc2c(=O)n(-c3ccccc3)c(SCc3nc4ccccc4[nH]3)nc2c1 ZINC000049744928 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc2c1 ZINC000049744984 KK Annotated Bother COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc2c1 ZINC000049744986 KK Annotated Bother Cc1[nH]c(C)c(-c2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2)c(=O)c1Br ZINC000049745025 KK Annotated Anodyne Clc1ccc(NC(=NCCCCCCCN=C(Nc2ccc(Cl)cc2)Nc2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 ZINC000049745037 KK Annotated Mild CCCCCN1/C(=C\C=C\c2n(CCCCC)c3cc(Cl)c(Cl)cc3[n+]2CC)N(CC)c2cc(Cl)c(Cl)cc21 ZINC000049745043 KK Annotated Clean Cc1ccc([C@@H]2[C@H](c3cccc4ccccc34)[C@@]3(CCCN([C@H](C)c4ccccc4)C3)ON2c2ccccc2)cc1 ZINC000049745048 KK Annotated Anodyne O=S(=O)(NCCC[C@@H]1CCCN(CCCCC/N=C(O)/C=C/c2ccc(Cl)c(Cl)c2)C1)c1ccc(Br)cc1 ZINC000049745085 KK Annotated Mild Cc1ccc(Nc2nc(N/N=C/c3cc4c(cc3Br)OCO4)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1C ZINC000049745094 KK Annotated Mild CCCCc1ccc(-c2nc(NC(=O)Nc3[nH]c(-c4ccccc4)nc3C(=O)OCC)c(C(=O)OCC)[nH]2)cc1 ZINC000049745154 KK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)s3)nc2c1 ZINC000049745178 KK Annotated Anodyne Cn1c(Nc2cc(C(C)(C)C)on2)nc2cc(Nc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)ccc21 ZINC000049745180 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2Cl)c2ncccc2c1 ZINC000049745213 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)c2ccc(Cl)cc2Cl)c2ncccc2c1 ZINC000049745216 KK Annotated Anodyne C/C(=N\Nc1ccc(I)cn1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 ZINC000049745220 KK Annotated Mild CC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl ZINC000049745234 KK Annotated Reactive CC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl ZINC000049745236 KK Annotated Reactive CC(C)(C)[C@@H](Nc1ccc(C#N)c2ccccc12)C(=O)NC1(Cc2ccc(O)c(Br)c2)CCCC1 ZINC000049745266 KK Annotated Mild CC(C)CCNC(=O)[C@@H]1Cc2c([nH]c3cc(Br)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000049745300 KK Annotated Anodyne CC(C)CCNC(=O)[C@H]1Cc2c([nH]c3cc(Br)ccc23)C2(CCN(CCc3ccccc3)CC2)N1 ZINC000049745301 KK Annotated Anodyne CCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CC)[C@@H](OC(=O)CC)C(C)(C)OC(C)=O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049745325 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)OC(C)=O)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049745327 KK Annotated Anodyne CCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)CC)[C@@H](OC(=O)CC)C(C)(C)OC(=O)CC)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049745329 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ncccc2c1 ZINC000049745331 KK Annotated Bother COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ncccc2c1 ZINC000049745333 KK Annotated Bother O=C([C@@H]1COc2ccccc2O1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049745392 KK Annotated Anodyne O=C([C@H]1COc2ccccc2O1)N(CCCn1ccnc1)Cc1csc(-c2ccc(CNCc3ccccc3)cc2)n1 ZINC000049745395 KK Annotated Anodyne CC(=O)OC1=CC[C@]2(C)[C@@H]3[C@@H](OC(C)=O)CC4=C([C@H](C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)OC(C)=O)CC[C@]4(C)[C@@]3(C)CC[C@H]2C1(C)C ZINC000049745405 KK Annotated Anodyne COc1cc2c(cc1OCCN1CCC(N3CCCCC3)CC1)N(C(=O)/C=C/c1ccccc1OC(F)(F)F)CC2 ZINC000049745447 KK Annotated Anodyne COCC(=O)OC(C)(C)[C@H](OC(C)=O)[C@H](C[C@@H](C)C1=C2C[C@H](OC(C)=O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(C)=O ZINC000049745453 KK Annotated Anodyne CCOCC(=O)OC(C)(C)[C@H](OC(C)=O)[C@H](C[C@@H](C)C1=C2C[C@H](OC(C)=O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(C)=O ZINC000049745455 KK Annotated Anodyne Cn1cc(Cc2ccc3ccccc3c2)c2c(CCC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cccc21 ZINC000049745477 KK Annotated Anodyne O=C(CSc1snnc1-c1ccc(Br)cc1Br)Nc1ccc(Cl)cc1 ZINC000049745478 KK Annotated Anodyne CCc1nc2c(o1)C(=O)C(Sc1ccc(Br)c(Br)c1)=C(Sc1ccc(Br)c(Br)c1)C2=O ZINC000049745480 KK Annotated Mild CN1CCC(C(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C2Cc3ccccc3C2)CC1 ZINC000049745486 KK Annotated Anodyne CNCCCN(C)C(=O)Oc1c(Br)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049745508 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(Cl)c2Cl)c2ncccc2c1 ZINC000049745524 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)Nc2cccc(Cl)c2Cl)c2ncccc2c1 ZINC000049745526 KK Annotated Anodyne CC(=O)c1ccc2c([N+](=O)[O-])cc3c(c2c1)[C@@H](CCl)CN3C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1 ZINC000049745538 KK Annotated Reactive CC(=O)c1ccc2c([N+](=O)[O-])cc3c(c2c1)[C@H](CCl)CN3C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1 ZINC000049745540 KK Annotated Reactive CC(C)c1ccc(C2=NC(SCc3ccc(CSc4nc(O)c(C#N)c(-c5ccc(C(C)C)cc5)n4)cc3)=NC(=O)[C@@H]2C#N)cc1 ZINC000049745691 KK Annotated Mild CC(C)c1ccc(C2=NC(SCc3ccc(CSc4nc(O)c(C#N)c(-c5ccc(C(C)C)cc5)n4)cc3)=NC(=O)[C@H]2C#N)cc1 ZINC000049745694 KK Annotated Mild Cc1cc(CNC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)oc1C ZINC000049745699 KK Annotated Anodyne Cc1cc(CNC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)oc1C ZINC000049745701 KK Annotated Anodyne Cc1nc(C)c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)c(OC(=O)c2ccc(CN(C)C)cc2)c1Cl ZINC000049745703 KK Annotated Anodyne CC(C)C[C@]1(C(=O)OC(C)(C)C)C[C@H](C(=O)OC(C)(C)C)[C@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000049745715 KK Annotated Anodyne CC(C)C[C@]1(C(=O)OC(C)(C)C)C[C@@H](C(=O)OC(C)(C)C)[C@H](c2cccs2)N1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000049745719 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCCC(C)(C)O)n3)CC2(C)C)cc1 ZINC000049745734 KK Annotated Clean COc1cc(/C=C/COC(=O)c2ccc(O)cc2)ccc1O[C@@H](COC(=O)c1ccc(O)cc1)[C@@H](O)c1ccc(OC)c(O)c1OC ZINC000049745771 KK Annotated Anodyne CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)cnc2c(C(F)(F)F)cccc12 ZINC000049745855 KK Annotated Reactive COc1ccc(/C=N/NC(=O)c2cnc3c(C(F)(F)F)cccc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)cc1 ZINC000049745871 KK Annotated Reactive COc1ccc(CC(=O)N(CCC[C@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(OC)c(OC)c2)cc1 ZINC000049745912 KK Annotated Anodyne COc1ccc(CC(=O)N(CCC[C@@H](C)Nc2cc(OC)cc3cccnc23)Cc2ccc(OC)c(OC)c2)cc1 ZINC000049745914 KK Annotated Anodyne Clc1cccc([C@]23NC(Nc4nc5ccccc5[nH]4)=N[C@@]2(c2ccccc2)N/C(=N/c2nc4ccccc4[nH]2)N3)c1 ZINC000049745920 KK Annotated Anodyne CC(=O)Nc1ccc(OCCN(Cc2ccccc2OC(F)(F)F)c2ccc(C(F)(F)F)c(C#N)c2)c(Cl)c1 ZINC000049745930 KK Annotated Mild Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)c(Cl)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049745956 KK Annotated Anodyne Cc1cc(-c2[nH]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)ccc1F ZINC000049745959 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCC[C@@H]4CCCN4C)n3)CC2(C)C)cc1 ZINC000049745968 KK Annotated Clean Cn1c(Nc2cc(C(C)(C)C)on2)nc2cc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc21 ZINC000049746013 KK Annotated Anodyne O=[N+]([O-])c1ccc(Nc2nc(N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)cc1 ZINC000049746018 KK Annotated Mild CO[C@@H]1C/C=C\C=C\C[C@H](C)[C@H]2OC(C)(C)O[C@H]([C@H]2C)[C@H](C)[C@H](O)CC(=O)O[C@H]([C@H](C)[C@H](O)/C=C(C)/C=C/CO)C[C@H](O)CCC1 ZINC000049746045 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(C(=O)NCCN(C)C)n3)CC2(C)C)cc1 ZINC000049746056 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(C(=O)NC[C@@H]4CCCO4)n3)CC2(C)C)cc1 ZINC000049746058 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCCN4CCOCC4)n3)CC2(C)C)cc1 ZINC000049746061 KK Annotated Clean CCCCCCCC/C=N/NC(=O)c1cnc2c(C(F)(F)F)cccc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C ZINC000049746073 KK Annotated Reactive CSc1ccccc1/C=N/NC(=O)c1cnc2c(C(F)(F)F)cccc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C ZINC000049746075 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NS(=O)(=O)c3ccc(C)cc3)cc(C)c2O1 ZINC000049746107 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc(C)c2O1 ZINC000049746110 KK Annotated Anodyne Cc1c(C(=O)Nc2cc(Sc3ccc(F)cc3)cc([N+](=O)[O-])c2)sc2ncn(Cc3ccccc3F)c(=O)c12 ZINC000049746145 KK Annotated Bother COc1ccc([C@@H](O)[C@H](COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)c(OC)c1O ZINC000049746179 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)NS(=O)(=O)c3ccccc3)c(C)c(C)c2O1 ZINC000049746222 KK Annotated Anodyne C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1C(c1ccccc1)c1ccccc1 ZINC000049746223 KK Annotated Anodyne COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc(Cl)ccc3n2)c1 ZINC000049746230 KK Annotated Reactive CN(C)c1ccc2c(CC(=O)NCC#Cc3cc(C(=O)O[C@H]4CC[C@H]5C(C)(C)CCC[C@]45C)c(OCC4CC4)cc3OCC3CC3)cc(=O)oc2c1 ZINC000049746268 KK Annotated Mild CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(F)cc2)cnc2c(C(F)(F)F)cccc12 ZINC000049746294 KK Annotated Reactive O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2ccc(N3CCCC3)cc12 ZINC000049746315 KK Annotated Reactive O[C@@H](CN1c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049746340 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)[nH]c2c(OC)c1OC ZINC000049746369 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)[nH]c2c(OC)c1OC ZINC000049746371 KK Annotated Reactive CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)[nH]c(=O)n13 ZINC000049746397 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2ccc4c(c2)CCC4)c(=O)n13 ZINC000049746401 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(C)c(=O)n13 ZINC000049746403 KK Annotated Anodyne FC(F)(F)c1ccc2[nH]c(-c3ccc(-c4cccc(CNCc5cnn(-c6ccccc6)n5)c4)cc3)nc2c1 ZINC000049746426 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccc(OC(C(F)F)C(F)F)cc1)C(F)(F)F ZINC000049746446 KK Annotated Mild CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccc(OC(F)(F)C(F)F)c2)cnc2ccc(F)cc12 ZINC000049746469 KK Annotated Reactive CC(C)(C)CC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049746487 KK Annotated Anodyne CCOC(=O)c1cc(COc2cc(C(F)(F)F)c3nc(C(F)(F)F)cc(OCc4cc(C(=O)OCC)no4)c3c2)on1 ZINC000049746494 KK Annotated Anodyne O=C1C=C2C[C@]3(OC(=O)c4ccccc4)COc4cc(OC(=O)c5ccccc5)ccc4C3=C2C=C1OC(=O)c1ccccc1 ZINC000049746509 KK Annotated Mild O=C1C=C2C[C@@]3(OC(=O)c4ccccc4)COc4cc(OC(=O)c5ccccc5)ccc4C3=C2C=C1OC(=O)c1ccccc1 ZINC000049746511 KK Annotated Mild COc1cc(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c2ncccc2c1 ZINC000049746519 KK Annotated Clean COc1cc(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)c2ncccc2c1 ZINC000049746521 KK Annotated Clean COc1cc(N[C@@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)c2ncccc2c1 ZINC000049746523 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccc(Cl)cc2)C(=O)Nc2cccc(C(F)(F)F)c2)c2ncccc2c1 ZINC000049746524 KK Annotated Anodyne N#Cc1ccc(-c2ccc(C(=O)NCCCCN3CC=C(c4ccc5c(c4OCC4CC4)CCCC5)CC3)cc2)cc1 ZINC000049746544 KK Annotated Mild O=C(O)C[C@@H]1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049746587 KK Annotated Mild COc1ccc(N2CCN(c3nc(CS(C)(=O)=O)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000049746645 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NS(=O)(=O)c3ccccc3)c(C)c(C)c2O1 ZINC000049746698 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)NS(=O)(=O)c3ccc(C)cc3)c(C)c(C)c2O1 ZINC000049746700 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NS(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)c2O1 ZINC000049746702 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccccn2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000049746708 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccco2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000049746710 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccc3c(c2)OCO3)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000049746712 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2cccc([N+](=O)[O-])c2)c(=O)n13 ZINC000049746714 KK Annotated Anodyne O=S(=O)(c1cc(Cl)sc1Cl)N(CCC(O)(C(F)(F)F)C(F)(F)F)Cc1cccc(O)c1 ZINC000049746720 KK Annotated Anodyne CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)cnc2ccc(F)cc12 ZINC000049746766 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NS(=O)(=O)c3ccc(C)cc3)c(C)c(C)c2O1 ZINC000049746775 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)NS(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)c2O1 ZINC000049746786 KK Annotated Anodyne Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)c(F)c2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049746809 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)[C@@H](C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049746826 KK Annotated Anodyne Cc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(OCCN(C(C)C)C(C)C)cc(C(F)(F)F)c1)CC2 ZINC000049746836 KK Annotated Anodyne Fc1ccc(-c2oc(C3CCN(CCc4ccc(-c5noc(S)n5)cc4)CC3)nc2COCC(F)(F)F)cc1 ZINC000049746848 KK Annotated Anodyne CCOC(=O)CC(=O)C[C@H]1O[C@@H]2[C@@H]3[C@H]4CC[C@@H]5[C@@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@]13CCC2(C)C ZINC000049746920 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](OCOCCOC)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049748178 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](Cl)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049748214 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](F)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049748336 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](I)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000049748382 KK Annotated Anodyne Cc1ccc(NC(=O)c2nc(C(F)(F)F)[nH]c2-c2ccc(F)cc2)cc1Nc1ccc2ncn(C)c(=O)c2c1 ZINC000049756000 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccccc4)cn3)cc2)[C@@H](C)CN(C)C)cc1F ZINC000049756027 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccccc4)cn3)cc2)[C@H](C)CN(C)C)cc1F ZINC000049756029 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)CC1=C(O)C(=O)c2ccccc2C1=O ZINC000049756063 KK Annotated Mild COc1cccc(-c2cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c3cc(OC)ccc3n2)c1 ZINC000049756079 KK Annotated Reactive O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2cc3ccccc3cn2)CC1 ZINC000049756081 KK Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@H]3O[C@@H]3[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C1)O2 ZINC000049756141 KK Annotated Mild CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCCC2)nn1 ZINC000049756142 KK Annotated Anodyne CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCCC2)nn1 ZINC000049756144 KK Annotated Anodyne Cc1ccc(-c2cc(Cc3ccco3)c3c(ncn4c(=O)c5cc(Br)cc(Br)c5nc34)n2)cc1 ZINC000049756206 KK Annotated Bother COc1ccc(-c2cc(-c3ccccc3)nc3ncn4c(=O)c5cc(Br)cc(Br)c5nc4c23)cc1 ZINC000049756207 KK Annotated Bother Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)NCC(=O)N/N=C/c1c(Cl)cccc1Cl ZINC000049756217 KK Annotated Reactive Cc1cc2c(C)cc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049756328 KK Annotated Anodyne COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc4c(cc3n2)OCO4)c1 ZINC000049756365 KK Annotated Reactive C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C1)O2 ZINC000049756410 KK Annotated Mild CCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049756502 KK Annotated Anodyne O=C1CC[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1ccc([N+](=O)[O-])cc1 ZINC000049756509 KK Annotated Mild COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ncn4c(=O)c5cc(Br)ccc5nc34)n2)cc1 ZINC000049756543 KK Annotated Bother CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049756550 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](C)/C=C(C)/C=C/[C@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000049756555 KK Annotated Anodyne O=C(/C=C\[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000049756558 KK Annotated Anodyne O=C(/C=C\[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000049756560 KK Annotated Anodyne O=C(/C=C\[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000049756562 KK Annotated Anodyne O=C(/C=C\[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@@H]1CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000049756565 KK Annotated Anodyne Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049756619 KK Annotated Anodyne CCC(=O)O[C@@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000049756636 KK Annotated Anodyne FC(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1 ZINC000049756643 KK Annotated Anodyne CC(=O)OCc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049756651 KK Annotated Anodyne C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)OC(C)=O)C[C@@H]3O[C@H]3[C@@H](OC(C)=O)C1)O2 ZINC000049756675 KK Annotated Mild COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(OCCN(C)C)n3)CC2(C)C)cc1 ZINC000049756747 KK Annotated Clean Oc1ccc(CN(Cc2cc(Br)cc(Br)c2O)C(=S)Nc2ccccc2)cc1 ZINC000049756758 KK Annotated Clean Cc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000049756765 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000049756830 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000049756832 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000049756834 KK Annotated Anodyne C/C(=C\COC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000049756836 KK Annotated Anodyne CCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000049756983 KK Annotated Mild CCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049757008 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)Nc3cccc4ccccc34)cc(C)c2O1 ZINC000049757011 KK Annotated Anodyne CC(C)(C)C#C[C@@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000049757058 KK Annotated Mild COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)C[C@@H](C#N)N1[C@H]2COC(=O)c1cccc2ccccc12 ZINC000049757106 KK Annotated Mild O=c1c2cc(Br)cc(Br)c2nc2c3c(-c4ccc(Cl)cc4)csc3ncn12 ZINC000049757108 KK Annotated Bother COc1cc(-c2[nH]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc(OC)c1OC ZINC000049757122 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C(=O)[C@@H]1O2)c1ccccc1 ZINC000049757124 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C(=O)[C@@H]1O2)c1ccccc1 ZINC000049757125 KK Annotated Anodyne Oc1c(Br)cc(Br)cc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 ZINC000049757131 KK Annotated Clean O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 ZINC000049757133 KK Annotated Reactive C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049757137 KK Annotated Mild C[C@@H](C=O)[C@@H]1CC[C@]2(COC(=O)n3ccnc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049757138 KK Annotated Anodyne CCN(CC)CCOc1ccc([C@H]2c3ccccc3O[C@@H](c3ccc(OC(C)=O)cc3)[C@@H]2c2ccccc2)cc1 ZINC000049757154 KK Annotated Anodyne CN1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049757159 KK Annotated Mild O=S(=O)(C1CC1)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049757165 KK Annotated Anodyne COc1cc(C(=O)Nn2c(NCc3ccc(-c4cc(Cl)cc(F)c4-c4noc(C)n4)cc3F)nc3ccccc32)on1 ZINC000049757168 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c(C)c2O1 ZINC000049757173 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cc(C)c2O1 ZINC000049757174 KK Annotated Anodyne CCCCCCC[C@@H]1c2cc3[nH]c(cc3C)cc3nc(cc4[nH]c(cc(n2)[C@]1(C)CC(=O)N(C)C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000049757196 KK Annotated Mild O=C(NNc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2cc3c(cc12)OCO3 ZINC000049757209 KK Annotated Reactive CO[C@H]1C=C2[C@@H](CC[C@H](OC(C)=O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(C)=O)CC[C@@]3(C)[C@H]12 ZINC000049757212 KK Annotated Anodyne Cc1ccc(-c2cc(-c3ccccc3)nc3ncn4c(=O)c5cc(Br)cc(Br)c5nc4c23)cc1 ZINC000049757221 KK Annotated Bother COc1cc(COc2c(C)c(C)c3c(c2C)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)cc(OC)c1 ZINC000049757240 KK Annotated Anodyne O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2cc3c(cc12)OCO3 ZINC000049757249 KK Annotated Reactive CCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049757254 KK Annotated Anodyne CCCCCCCCCCCCn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)c21 ZINC000049757255 KK Annotated Mild O[C@]12C=C([C@H]3NCCc4c3[nH]c3ccccc43)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000049757257 KK Annotated Anodyne COc1cccc(/C=C2/CCN3[C@@H](CCC2=O)C[C@]24CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]2CC5)[C@H]34)c1 ZINC000049757258 KK Annotated Mild CC(C)CC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](CC(=O)O)C(F)(F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000049757267 KK Annotated Mild [O-][N+]12CCCC/C=C\CC[C@]3(O)C=C(c4nccc5c4[nH]c4ccccc45)[C@H](CC1)[C@]1(C[C@@H]4C=CCCCC[N+]4([O-])[C@@H]31)C2 ZINC000049757302 KK Annotated Bother Cc1ccc2nc(/N=C3\C(=O)N(CN(c4ccccc4)c4ccccc4)c4cccc(Br)c43)sc2c1 ZINC000049757327 KK Annotated Mild COc1cc(/C=C/c2cc(C)c([N+](=O)[O-])c(C)c2)c(OC)cc1C#Cc1cc(OC)c(/C=C/c2cc(C)c([N+](=O)[O-])c(C)c2)cc1OC ZINC000049757362 KK Annotated Mild CC(=O)Oc1ccc([C@@H]2CC(=O)C=C3O[C@H](c4ccc(OC(C)=O)c(OC(C)=O)c4)[C@@H](O)[C@@H]4c5c(C(C)=O)cc(C(C)=O)cc5[C@@H]2[C@H]34)cc1OC(C)=O ZINC000049757368 KK Annotated Mild COc1cc(CCc2cc(O)c(C/C=C(\C)CC/C=C(\C)CO)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000049757383 KK Annotated Anodyne O=C(OCCC(F)(F)F)c1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 ZINC000049757384 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OCc3cn(CCCCCCCCCCNC(=O)OC(C)(C)C)nn3)c(OC)c2)cc(OC)c1OC ZINC000049757387 KK Annotated Mild CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CC2)nn1 ZINC000049757389 KK Annotated Anodyne CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CC2)nn1 ZINC000049757390 KK Annotated Anodyne CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)NCc2ccc3ncccc3c2)nn1 ZINC000049757391 KK Annotated Anodyne CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)NCc2ccc3ncccc3c2)nn1 ZINC000049757392 KK Annotated Anodyne O=C(Nc1ccc(-n2ccc3nc(C(=O)NCc4ccccc4)ccc32)cc1)Nc1cccc(Cl)c1Cl ZINC000049757395 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2cccc(OC3CCOCC3)c2)[C@H]2CCCc3ccccc32)cc1C(=O)O ZINC000049757396 KK Annotated Anodyne CCCCCCCCCCCCNc1ccc2c3c(cccc13)C(=O)N(CCCNCCN(C)C)C2=O ZINC000049757411 KK Annotated Mild CCCCC(CCCC)c1cc[n+](CCCCCCCCCCCC[n+]2ccc(C(CCCC)CCCC)cc2)cc1 ZINC000049757420 KK Annotated Anodyne C[C@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049757473 KK Annotated Mild CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(F)cc2)cnc2ccc(F)cc12 ZINC000049757490 KK Annotated Reactive CCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049757504 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc(-c3ccccc3Cl)cc2)[C@H]2CCCc3ccccc32)cc1C(=O)O ZINC000049757511 KK Annotated Anodyne Cc1c(C)c2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049759773 KK Annotated Anodyne OCCCNCCN(Cc1cccc(C(F)(F)F)c1)Cc1cccc(CN(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)n1 ZINC000049759837 KK Annotated Mild COc1cc2c(c3oc(=O)cc(C)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000049759862 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(C)=O)CC[C@@]3(C)[C@H]12 ZINC000049761759 KK Annotated Anodyne CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049761806 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)[C@H]2CCCc3ccccc32)cc1C(=O)O ZINC000049761817 KK Annotated Anodyne CO[P@](=O)(F)CCCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 ZINC000049761819 KK Annotated Reactive CO[P@@](=O)(F)CCCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 ZINC000049761821 KK Annotated Reactive CCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049761865 KK Annotated Anodyne O=C(Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12)C1CCCCC1 ZINC000049761879 KK Annotated Anodyne CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049761927 KK Annotated Anodyne CN1CCN([C@H](C(=O)Nc2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761937 KK Annotated Anodyne CN1CCN([C@@H](C(=O)Nc2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000049761940 KK Annotated Anodyne CCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049761967 KK Annotated Anodyne CCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049761968 KK Annotated Anodyne O=C(c1nn(-c2ccccc2Cl)c(-c2ccc(Br)cc2)c1Cn1cncn1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000049761988 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049762003 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(C)C(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049762005 KK Annotated Mild COc1cc(/C=C/c2cc(C)c([N+](=O)[O-])c(C)c2)c(OC)cc1C#CC#Cc1cc(OC)c(/C=C/c2cc(C)c([N+](=O)[O-])c(C)c2)cc1OC ZINC000049762015 KK Annotated Mild COc1ccc(-c2ccc(CN(C(=O)c3cc(C(=O)O)c(C(=O)O)cc3C(=O)O)[C@H]3CCCc4ccccc43)cc2)cc1 ZINC000049762051 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc3c(c2)Cc2ccccc2-3)[C@H]2CCCc3ccccc32)cc1C(=O)O ZINC000049762053 KK Annotated Anodyne CCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049762083 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)NCc3ccccc3)c(C)c(C)c2O1 ZINC000049762096 KK Annotated Anodyne CN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049762122 KK Annotated Mild Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 ZINC000049762124 KK Annotated Mild CN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049762126 KK Annotated Mild CC1(CN2C(=O)S/C(=C\c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])c(C(F)(F)F)c4)cc3)C2=O)CCCCC1 ZINC000049762160 KK Annotated Bother CC(C)(C)CC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049762263 KK Annotated Anodyne O=C(Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1)C1CCCCC1 ZINC000049762275 KK Annotated Anodyne COc1ccc(/C=N/NC(=O)c2cnc3ccc(F)cc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)cc1 ZINC000049762309 KK Annotated Reactive CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccnc2)cnc2c(C(F)(F)F)cccc12 ZINC000049762312 KK Annotated Reactive CCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049762321 KK Annotated Anodyne CCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049762324 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc2c3c(-c4ccccc4)cc(-c4ccc(Cl)cc4)nc3ncn12 ZINC000049762340 KK Annotated Bother CCn1c(SCCCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc(-c2ccc(C)cc2)c1-c1ccc(C)cc1 ZINC000049762410 KK Annotated Bother COc1cc(/C=C\c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000049762412 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)NS(=O)(=O)c3ccccc3)cc(C)c2O1 ZINC000049762440 KK Annotated Anodyne CCCCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000049762447 KK Annotated Anodyne CCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049762470 KK Annotated Mild CCCN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049762472 KK Annotated Mild O=C(Oc1ccc2cc1Oc1ccc(cc1)CC[C@@H](OC(=O)c1ccc(Cl)cc1)CCCC2)c1ccc(Cl)cc1 ZINC000049762488 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cc(F)c(F)c(F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049762513 KK Annotated Mild COc1cccc(-c2cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c3cc4c(cc3n2)OCO4)c1 ZINC000049762516 KK Annotated Reactive CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c2ccnc3ccccc23)c1O ZINC000049762529 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](Cc2ccccc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762554 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@H](CCc2ccccc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762555 KK Annotated Anodyne Cc1ccc(-c2[nH]c(C(F)(F)F)nc2C(=O)Nc2ccc(C)c(Nc3ccc4ncn(C)c(=O)c4c3)c2)cc1F ZINC000049762561 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(SC(F)(F)F)c1)C(F)(F)F ZINC000049762611 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(SC(F)(F)F)c1)C(F)(F)F ZINC000049762613 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC000049762615 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F ZINC000049762616 KK Annotated Mild COc1ccc(-c2nnc(NC(=O)CCN(CCc3ccc(OC)c(OC)c3)C(=O)c3cccc4ccccc34)s2)cc1 ZINC000049762632 KK Annotated Anodyne C[C@H]1CN(C(=O)c2cc3c(C(=O)C(=O)N(C)C)cn(C)c3cc2Cl)[C@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000049762651 KK Annotated Anodyne O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000049762674 KK Annotated Reactive O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccc(OC(F)(F)F)cc1)C(F)(F)F ZINC000049762695 KK Annotated Mild CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C(C)C)nn1 ZINC000049762725 KK Annotated Anodyne CCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C(C)C)nn1 ZINC000049762726 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(Cc2ccccc2)c(=O)n13 ZINC000049762738 KK Annotated Anodyne COc1cccc(-n2c(=O)n3n(c2=O)[C@]2(C(C)C)CC[C@]4(COC(C)=O)CC[C@]5(C)C(=C24)[C@@H]3C[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]25C)c1 ZINC000049762740 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000049762813 KK Annotated Mild CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccc(OC(F)(F)C(F)F)c2)cnc2c(C(F)(F)F)cccc12 ZINC000049762815 KK Annotated Reactive COc1ccc(/C=N/NC(=O)c2cnc3c(C(F)(F)F)cccc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(F)c1 ZINC000049762817 KK Annotated Reactive O=C([C@H](Cc1ccc(O)cc1)c1ccccc1)N1CCC(n2c(Cc3ccc(F)cc3)nc3cccnc32)CC1 ZINC000049762842 KK Annotated Anodyne O=C([C@@H](Cc1ccc(O)cc1)c1ccccc1)N1CCC(n2c(Cc3ccc(F)cc3)nc3cccnc32)CC1 ZINC000049762845 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](c2ccc(C(F)(F)F)nc2)C2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762923 KK Annotated Anodyne C[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049762929 KK Annotated Mild O=C(Cc1cccs1)N1CCOc2c(cc(-c3csc4ccccc34)cc2OCCc2ccccn2)C1 ZINC000049762951 KK Annotated Anodyne O=C(c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccn2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccn2)cc1 ZINC000049762955 KK Annotated Reactive O=C(c1ccc(C[P+](c2ccco2)(c2ccco2)c2ccco2)cc1)c1ccc(C[P+](c2ccco2)(c2ccco2)c2ccco2)cc1 ZINC000049762958 KK Annotated Reactive O[C@@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049762967 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cc(F)cc(F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049762976 KK Annotated Mild CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCC(=O)O)Cc1cc(C(C)(C)C)cc(c1O)Cc1cccc(c1OCC(=O)O)C2 ZINC000049762989 KK Annotated Anodyne C=C([C@H]1CC[C@H]2C(C)(C)CCC[C@]12C)[C@@H]1[C@@H](COC(=O)Cc2cc(=O)oc3cc(N(C)C)ccc23)O[C@@H]2OC(=O)C[C@@H]21 ZINC000049763051 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000049763072 KK Annotated Anodyne COc1cc(COc2cc3c(c(C)c2C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC3)cc(OC)c1 ZINC000049763078 KK Annotated Anodyne Cn1cncc1CC1=Cc2cccnc2[C@@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000049763109 KK Annotated Mild C[C@@H](Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000049763152 KK Annotated Anodyne C[C@H]1CN(C(=O)[C@@H](C)Sc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)CCN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000049763155 KK Annotated Anodyne C[C@H](Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](C)C1 ZINC000049763158 KK Annotated Anodyne C[C@H](Sc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)C(=O)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)C1 ZINC000049763161 KK Annotated Anodyne COc1ccc(/C=N/NC(=O)c2cnc3ccc(F)cc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(F)c1 ZINC000049763173 KK Annotated Reactive O[C@@H](CN1c2cccc(-c3cccc(F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049763211 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049763212 KK Annotated Mild O=C(C/C(=N/Nc1nc(N/N=C(/CC(=O)C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1)C(F)(F)F)C(F)(F)F ZINC000049763236 KK Annotated Mild CCCCCCCC/C=N/NC(=O)c1cnc2ccc(F)cc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C ZINC000049763259 KK Annotated Reactive CSc1ccccc1/C=N/NC(=O)c1cnc2ccc(F)cc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C ZINC000049763268 KK Annotated Reactive CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2ccc(F)cc2)c(=O)n13 ZINC000049763299 KK Annotated Anodyne C=CC[C@H](C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12)c1ccccc1CC ZINC000049765429 KK Annotated Anodyne CCc1cc(=O)c2cc(C(C)(C)C)c3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049765495 KK Annotated Anodyne CC[C@H](C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12)c1ccccc1OC ZINC000049765528 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=N)N)cc1 ZINC000049765534 KK Annotated Anodyne C=CC[C@H](C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@@H]4[C@]3(C)CC[C@H]12)c1ccccc1OC ZINC000049765537 KK Annotated Anodyne CC(C)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049765574 KK Annotated Anodyne CC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000049765581 KK Annotated Anodyne O=C(O)c1pc(P(Cl)Cl)c2ccc(O)c(N(N3C(=O)[C@@H](Cl)C3(C(=O)c3ccccc3)C(=O)c3ccccc3)[N+](=O)[O-])n12 ZINC000049765583 KK Annotated Reactive O=C(O)c1pc(P(Cl)Cl)c2ccc(O)c(N(N3C(=O)[C@H](Cl)C3(C(=O)c3ccccc3)C(=O)c3ccccc3)[N+](=O)[O-])n12 ZINC000049765584 KK Annotated Reactive CO[C@@H](C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21)c1cncn1C ZINC000049766331 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2ccc(Cl)cc2)c(=O)n13 ZINC000049766351 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2ccc(C(C)=O)cc2)c(=O)n13 ZINC000049766354 KK Annotated Anodyne CCCCCCCCCCCC(=O)Oc1ccccc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000049766375 KK Annotated Mild Cc1ccc(N2[C@@H]3c4ccccc4N(S(=O)(=O)c4ccc(C)cc4)[C@H]2c2ccccc2N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049766380 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OC(=O)c3ccc(Br)cc3)nc2c1 ZINC000049766385 KK Annotated Anodyne O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 ZINC000049766427 KK Annotated Anodyne O=C(CN(c1ccccc1)c1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2Cl)CC1 ZINC000049766429 KK Annotated Anodyne CC(C)C[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000049766438 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049766464 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049766466 KK Annotated Mild CCn1c(SCCCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1 ZINC000049766473 KK Annotated Bother CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccc(O)cc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000049766523 KK Annotated Anodyne Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000049766538 KK Annotated Anodyne CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccccc2F)cnc2ccc(F)cc12 ZINC000049766567 KK Annotated Reactive COc1cc(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)C(Cl)Cl)c2ncccc2c1 ZINC000049766574 KK Annotated Reactive COc1cc(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)C(Cl)Cl)c2ncccc2c1 ZINC000049766576 KK Annotated Reactive FC(F)Oc1ccc(-c2ccnc3cc(-c4cccc(I)c4)nn23)cc1OCC1CC1 ZINC000049766609 KK Annotated Anodyne CC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)NCc2ccc3ncccc3c2)nn1 ZINC000049766620 KK Annotated Anodyne CC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@](C)(CC(C)C)NCc2ccc3ncccc3c2)nn1 ZINC000049766622 KK Annotated Anodyne CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(O)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000049766657 KK Annotated Mild CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2ccccc2)c(=O)n13 ZINC000049766673 KK Annotated Anodyne CC(C)[C@@]12CC[C@]3(CO)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(-c3ccccc3)c(=O)n12 ZINC000049766674 KK Annotated Anodyne O=S(=O)(NCC[C@@H]1CC[C@@H](c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccnc1 ZINC000049766706 KK Annotated Anodyne O=c1c2cc(Br)ccc2nc2c3c(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccc([N+](=O)[O-])cc4)nc3ncn12 ZINC000049766717 KK Annotated Bother CCOc1cccc([C@@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@H](O)C(F)(F)F)c1 ZINC000049766722 KK Annotated Anodyne CCOc1cccc([C@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@H](O)C(F)(F)F)c1 ZINC000049766724 KK Annotated Anodyne CCCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000049766726 KK Annotated Mild CCCCn1c(=O)n2n(c1=O)[C@]1(C(C)C)CC[C@]3(COC(C)=O)CC[C@]4(C)C(=C13)[C@@H]2C[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]2CC[C@]14C ZINC000049766759 KK Annotated Anodyne CCn1c(=O)n2n(c1=O)[C@]1(C(C)C)CC[C@]3(COC(C)=O)CC[C@]4(C)C(=C13)[C@@H]2C[C@@H]1[C@@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]2CC[C@]14C ZINC000049766760 KK Annotated Anodyne CCC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(C)c(=O)n13 ZINC000049766762 KK Annotated Anodyne N#C[C@]12CCC3(OCCO3)C3=CO[C@H](Cc4cc(OCc5ccc(COc6ccc7c(c6)C[C@H]6OC=C8[C@H]6[C@@]7(C#N)CCC86OCCO6)cc5)ccc41)[C@@H]32 ZINC000049766785 KK Annotated Mild COc1cc(N[C@@H](C)CCCN(Cc2ccccc2OC)C(=O)c2cccc(Br)c2)c2ncccc2c1 ZINC000049766790 KK Annotated Anodyne COc1cc(N[C@H](C)CCCN(Cc2ccccc2OC)C(=O)c2cccc(Br)c2)c2ncccc2c1 ZINC000049766792 KK Annotated Anodyne CCCCCCCCC#CCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049766850 KK Annotated Mild CCCCCCCCC#CCCCCCCCCCNC(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049766853 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CS[C@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049766860 KK Annotated Mild CCCCCCCCCCCCCCCCN(C(C)=O)C(=O)[C@@H]1CS[C@@H](c2ccc(NC(C)=O)cc2)N1 ZINC000049766863 KK Annotated Mild CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O ZINC000049766884 KK Annotated Anodyne CC(C)OC(=O)c1c(-c2ccc(-c3ccc(Cl)cc3)cc2)csc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O ZINC000049766886 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@H]2CC[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Cl)cc3)C2)CC1 ZINC000049766919 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2cccc4ccccc24)c(=O)n13 ZINC000049766920 KK Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3nn(-c4ccccc4Cl)c(-c4ccc(Br)cc4)c3Cn3cncn3)CC2)c1C ZINC000049766935 KK Annotated Anodyne O[C@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049767003 KK Annotated Mild Cc1cc2nc(N3CCC[C@H]3CN3CCCC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000049767016 KK Annotated Anodyne O=c1c2cc(Br)cc(Br)c2nc2c3c(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccc([N+](=O)[O-])cc4)nc3ncn12 ZINC000049767030 KK Annotated Bother CC(=O)O[C@H](C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21)c1cncn1C ZINC000049767089 KK Annotated Anodyne COc1ccc(-c2csc3ncn4c(=O)c5cc(Br)cc(Br)c5nc4c23)cc1 ZINC000049767134 KK Annotated Bother CC(C)(C)CC[C@H](CCC(F)(F)F)N1CC[C@@H](CC(=O)O)C(F)(F)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000049767156 KK Annotated Mild CCCCCCCCCC(=O)Oc1ccccc1-c1nc2cc(C)ccn2c1NC(C)(C)CC(C)(C)C ZINC000049767184 KK Annotated Mild CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(C2=COCO2)c(=O)n13 ZINC000049767203 KK Annotated Anodyne CO[C@H](C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(Cl)cc21)c1cncn1C ZINC000049767218 KK Annotated Anodyne Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccccc3)c(-c3cc(Br)cc(Br)c3)c12 ZINC000049767239 KK Annotated Anodyne CCCCCCCCCCCCN1C(=O)c2cccc3c(NCCN4CCN(C)CC4)ccc(c23)C1=O ZINC000049767247 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049767274 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049767276 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049767296 KK Annotated Mild CCc1ccc(N(C(=O)CCN2CCc3ccccc32)[C@H](C(=O)NCc2ccccc2)c2ccc(OC)c(OC)c2)cc1 ZINC000049767373 KK Annotated Anodyne CCc1ccc(N(C(=O)CCN2CCc3ccccc32)[C@@H](C(=O)NCc2ccccc2)c2ccc(OC)c(OC)c2)cc1 ZINC000049767375 KK Annotated Anodyne CCCC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(C)c(=O)n13 ZINC000049767379 KK Annotated Anodyne CC(C)(O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049767393 KK Annotated Mild CC(C)(O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049767394 KK Annotated Mild Cn1cncc1[C@H](O)C1=Cc2cccnc2[C@@H](N2CCN(C(=O)OC3(C)CCCCC3)CC2)c2ccc(Cl)cc21 ZINC000049767424 KK Annotated Anodyne CC(C)C(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(C)c(=O)n13 ZINC000049767451 KK Annotated Anodyne CC(C)N(NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ncc(C(=O)N2[C@@H](C)CC[C@H]2C)cc1F ZINC000049767461 KK Annotated Reactive O[C@@H](CN1c2cccc(-c3cc(F)cc(F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049767463 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cc(F)c(F)c(F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049767464 KK Annotated Mild Cn1cncc1CC1=Cc2cccnc2[C@H](N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc21 ZINC000049767477 KK Annotated Mild CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(Br)s2)cnc2ccc(F)cc12 ZINC000049767484 KK Annotated Reactive O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1ccccc1OC(F)(F)C(F)F)C(F)(F)F ZINC000049767551 KK Annotated Mild CC(C)[C@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049767626 KK Annotated Mild CC(C)[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000049767627 KK Annotated Mild COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1cc(OC)cc(OC)c1 ZINC000049767663 KK Annotated Anodyne CC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049767730 KK Annotated Anodyne CC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NCc2ccc3ncccc3c2)C2CCC2)nn1 ZINC000049767732 KK Annotated Anodyne CC(C)(C)OCCN(C[C@H](O)CN(Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000049767835 KK Annotated Anodyne CC(C)(C)OCCN(C[C@@H](O)CN(Cc1ccccc1)C(=O)NC(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000049767837 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OS(=O)(=O)C[C@]34CC[C@H](CC3=O)C4(C)C)nc2c1 ZINC000049767844 KK Annotated Anodyne Cc1ccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3OS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)nc2c1 ZINC000049767846 KK Annotated Anodyne CCCCCCCCC[C@@H]1C[C@@H]2CCc3c(C(=O)OCCCCNC(=N)N)c(CCCCC)nc([n+]32)N1 ZINC000049767871 KK Annotated Mild CC(C)(C)CC[C@@H](CCC(F)(F)F)N1CCC(F)(F)[C@H](CC(=O)O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000049767923 KK Annotated Mild CN(CCCCCCCCCCCCCN(C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000049767948 KK Annotated Anodyne NC[C@H](Cc1ccc2ccccc2c1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCc1ccccc1 ZINC000049767959 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(N(C)CCN(C)C)n3)CC2(C)C)cc1 ZINC000049767962 KK Annotated Clean COC(=O)c1cc(OC)cc(O)c1C(=O)c1c(O)cc(C)c(C2=CC(C)(C)Oc3c(CC=C(C)C)cc(O)cc32)c1O ZINC000049767976 KK Annotated Anodyne C[C@@H](CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000049768033 KK Annotated Anodyne C[C@H](CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000049768035 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCC2CCCC2)cc1 ZINC000049768037 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCC2CCCC2)cc1 ZINC000049768039 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC3)C(C)C ZINC000049768130 KK Annotated Mild in-vitro biogenic C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12)c1ccccc1CC ZINC000049769710 KK Annotated Anodyne CCOCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049769811 KK Annotated Anodyne CCc1ccccc1[C@H](CC)C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12 ZINC000049769836 KK Annotated Anodyne C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@@H]4[C@]3(C)CC[C@H]12)c1ccccc1SC ZINC000049769873 KK Annotated Anodyne C[n+]1ccccc1/C=C/c1cc2[nH]c1c(-c1ccccc1)c1ccc(n1)c(-c1ccccc1)c1ccc(n1)c(-c1ccccc1)c1ccc([nH]1)c2-c1ccccc1 ZINC000049769931 KK Annotated Clean CCOc1ccccc1[C@H](C)C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12 ZINC000049769991 KK Annotated Anodyne O=C(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Nc1ccc(Cc2nnn[nH]2)cc1 ZINC000049770007 KK Annotated Mild CCCCCCCCCN1C(=O)SC[C@H]1[C@@]1(OC)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000049771127 KK Annotated Mild NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCc1ccc(-c2ccccc2)cc1 ZINC000049771176 KK Annotated Anodyne CC(C)CCCN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049771177 KK Annotated Anodyne CC(C)[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771178 KK Annotated Anodyne CC(C)[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000049771179 KK Annotated Anodyne Oc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771180 KK Annotated Anodyne Oc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049771181 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H](Cc3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)Cc3ccccc32)cc1 ZINC000049771185 KK Annotated Anodyne CCCC[C@@H](CN1CCC[C@@H]1CN1CCNC[C@@H]1Cc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049771198 KK Annotated Anodyne CCCC[C@@H](CN1CCC[C@H]1CN1CCNC[C@@H]1Cc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049771199 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCc1cc(=O)cc(CCCCCC/C=C/[C@H](O)C#C)o1 ZINC000049771239 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCc1cc(=O)cc(CCCCCC/C=C/[C@@H](O)C#C)o1 ZINC000049771240 KK Annotated Mild COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c3c(ncn4c(=O)c5cc(Br)cc(Br)c5nc34)n2)cc1 ZINC000049771255 KK Annotated Bother c1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000049771259 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049771273 KK Annotated Mild O=C1OC(=O)c2c1cc1ccc3c(c1c2-c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCO3 ZINC000049771283 KK Annotated Reactive CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cn3cnc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 ZINC000049771284 KK Annotated Anodyne O=C(CSc1nc(-c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)n[nH]1)c1ccc(Br)cc1 ZINC000049771285 KK Annotated Anodyne CCCOc1ccccc1C[N+](C)(CC)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N+](C)(CC)Cc1ccccc1OCCC ZINC000049771357 KK Annotated Bother C[C@@H]1N[C@H](CCCCCCCCCCc2cc(CCCCCCCCCC[C@@H]3CC[C@@H](O)[C@H](C)N3)c3[n+](c2)CCC3)CC[C@H]1O ZINC000049771417 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)cc3c2[C@H](c2cc(OC(C)=O)cc(OC(C)=O)c2)[C@@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)O3)cc1 ZINC000049771576 KK Annotated Anodyne CN1C/C(=C\c2ccccc2-c2cccs2)C(=O)[C@]2(C1)[C@H](c1ccccc1-c1cccs1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049771596 KK Annotated Mild CCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049771664 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049771665 KK Annotated Anodyne CC(C)(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049771666 KK Annotated Anodyne CCCCCCC(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049771667 KK Annotated Anodyne CCCCCCC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049771668 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049771700 KK Annotated Anodyne CC(C)C(=O)Nc1ccc2[nH]c3c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7C=CCCCCN7[C@@H]54)C6)nccc3c2c1 ZINC000049771742 KK Annotated Anodyne CC(C)C(=O)Nc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049771743 KK Annotated Anodyne COc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@H](c2ccc(OC)cc2OC)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)c(OC)c1 ZINC000049771854 KK Annotated Mild CN1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771891 KK Annotated Mild CN1C/C(=C\c2ccccc2-c2cccs2)C(=O)[C@]2(C1)[C@H](c1ccccc1-c1cccs1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000049771957 KK Annotated Mild CCCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049771972 KK Annotated Mild CCCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049771973 KK Annotated Mild CCCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049771974 KK Annotated Mild CCCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049771975 KK Annotated Mild COc1cccc(CC[C@]2(O)C(C)=C[C@@H](OC(C)=O)[C@]3(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]5([C@@H](C)OC(C)=O)COCC=C[C@@H]5[C@]4(C)CC[C@H]23)c1 ZINC000049771976 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H]([C@@H](O)C(C)(C)O)C3)[C@]12C ZINC000049772271 KK Annotated Anodyne CC(C)c1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@H](c2ccc(C(C)C)cc2)[C@@H]2CSCN2[C@@]32C(=O)Nc3ccc(Cl)cc32)cc1 ZINC000049774278 KK Annotated Mild COc1cccc(-c2cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c3cc(Cl)ccc3n2)c1 ZINC000049774598 KK Annotated Reactive COc1cc(F)c2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4C3=O)c2c1 ZINC000049774625 KK Annotated Mild Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5c[nH]cn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774658 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccccn5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049774717 KK Annotated Anodyne Cc1c(C(=O)N/N=C(/C=C/c2ccc(Cl)cc2)C(=N/Nc2ccc(Br)cc2)\N2CCCCC2)oc2ccccc12 ZINC000049774741 KK Annotated Reactive Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NS(=O)(=O)c4cc(Cl)c(Cl)s4)o3)cc(F)cc12 ZINC000049774787 KK Annotated Anodyne OC[C@H](CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000049774871 KK Annotated Anodyne OC[C@H](CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000049774872 KK Annotated Anodyne CCCCCCN1/C(=C/C2=C(O)/C(=C\c3sc4ccccc4[n+]3CCCCCC)C2=O)Sc2ccccc21 ZINC000049774881 KK Annotated Mild CCC(=O)O[C@H]1CC[C@@H]2C(=C[C@H](OC)[C@@H]3[C@@]2(C)CC[C@]2(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)CC)CC[C@@]32C)C1(C)C ZINC000049774944 KK Annotated Anodyne CCCC(=O)O[C@@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000049774946 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n(-c2cccc(Cl)c2)c(=O)n13 ZINC000049775025 KK Annotated Anodyne CCOc1ccc(CCN2C(c3ccccc3)=Cc3nc4ccccc4cc3[C@H]2C(Cl)(Cl)Cl)cc1OCC ZINC000049775029 KK Annotated Anodyne CCOc1ccc(CCN2C(c3ccccc3)=Cc3nc4ccccc4cc3[C@@H]2C(Cl)(Cl)Cl)cc1OCC ZINC000049775031 KK Annotated Anodyne CC1=CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@]3(C)CC[C@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 ZINC000049775135 KK Annotated Reactive Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3ccc(NS(=O)(=O)c4cc(Cl)c(Cl)s4)nc3)cc(F)cc12 ZINC000049775206 KK Annotated Anodyne CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2Cl)[C@H](c2ccccc2)C1 ZINC000049775210 KK Annotated Mild CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)C1=NN(c2ccc(Cl)cc2Cl)[C@@H](c2ccccc2)C1 ZINC000049775212 KK Annotated Mild CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)n3c4ccccc4c4ccc(OCC(=O)O)cc43)cc2)cc1 ZINC000049775232 KK Annotated Clean N#Cc1ccc(NC(=O)N2CCN([C@H]3c4ccc(Cl)cc4C(Cc4cnc[nH]4)=Cc4cccnc43)CC2)cc1 ZINC000049775252 KK Annotated Mild CC[C@@H](C)CCN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049775268 KK Annotated Anodyne CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@H]3C[C@]2(C)[C@@H](Br)CC1 ZINC000049775427 KK Annotated Reactive CCN(CC)CCNc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)cc2)n1 ZINC000049775479 KK Annotated Clean C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000049775521 KK Annotated Reactive CC/N=C(\N1CCOCC1)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(NC(=O)c3cc4ccc(C)cc4s3)CCCC2)CC1 ZINC000049775570 KK Annotated Mild COc1cccc(S(=O)(=O)Nc2ccc(-c3ccc4c(cnn4-c4ccc(F)cc4)c3)c(C(F)(F)F)c2)c1 ZINC000049775625 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@H]2[C@@H]2[C@H]3[C@H]2C(=O)O)cc1F ZINC000049775633 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@@H]3C[C@H]2[C@@H]2[C@H]3[C@H]2C(=O)O)cc1F ZINC000049775635 KK Annotated Anodyne COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5ccc(C(=O)N6CCN(C)CC6)cc5)cc4C3=O)c2c1 ZINC000049775700 KK Annotated Mild CC(C)(O)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2c1NC(=O)CO ZINC000049775704 KK Annotated Anodyne CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@@H]2CO)cc1-c1ccccc1Cl ZINC000049775711 KK Annotated Anodyne O=C(NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1)OCC1c2ccccc2-c2ccccc21 ZINC000049775713 KK Annotated Reactive Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)c4c(c2)[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H](c2cccc(O)c2)O3)cc1 ZINC000049775731 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(CN5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049775750 KK Annotated Anodyne O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2cc(Cl)ccc2o1 ZINC000049775753 KK Annotated Anodyne COc1cc(F)c2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1 ZINC000049775798 KK Annotated Mild COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5ccc(C(=O)N(C)CCN(C)C)cc5)cc4C3=O)c2c1 ZINC000049775800 KK Annotated Mild CCCCCCCCCCCCCCCCC1=C[C@H](C(=O)O)[C@H]2CC(C(=O)O)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@H]1C(=O)OC ZINC000049776219 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@](C)(O)[C@@H](Cl)CC[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]12 ZINC000049776233 KK Annotated Reactive C[C@@H](c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049776243 KK Annotated Anodyne C[C@H](c1ccc(C(=O)c2ccccc2)cc1OCCCN1CCCC1)N(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000049776244 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)[C@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000049776296 KK Annotated Anodyne COc1ccc2c(c1)Oc1cc(OC(=O)[C@H](C)NC(=O)OCC3c4ccccc4-c4ccccc43)ccc1[C@]21OC(=O)c2ccccc21 ZINC000049776297 KK Annotated Anodyne O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)cc3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 ZINC000049776337 KK Annotated Anodyne COc1cc2c(cc1OCCC(=O)Nc1ccc3oc(C(=O)Nc4cc(O)ccc4CCCl)cc3c1)N=C[C@@H]1CCCN1C2=O ZINC000049776338 KK Annotated Reactive O=C(CN1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776342 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cccc(OC(F)(F)F)c3)ccc2[C@@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000049776343 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC[C@@H]3CCCO3)nn2)CC1 ZINC000049776350 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC[C@H]3CCCO3)nn2)CC1 ZINC000049776351 KK Annotated Anodyne O=c1oc2cc(-c3c(-c4ccc(O)c(O)c4)oc4cc(/C=C/c5ccc(O)c(O)c5)oc(=O)c34)oc(=O)c2c2cc(O)c(O)cc12 ZINC000049776352 KK Annotated Clean COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)NCc3ccc(C(F)(F)F)cc3)C=CC(=O)[C@]12C ZINC000049776355 KK Annotated Mild CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@H](O)[C@H](C)C[C@H](C)C(=O)OC ZINC000049776374 KK Annotated Anodyne COC(=O)c1c(-c2cc(OC)c(OC(C)C)cc2OC(C)C)c(-c2ccc(OC(C)C)c(OC)c2)c2n1CCc1cc(OC(C)C)c(OC)cc1-2 ZINC000049776376 KK Annotated Anodyne COc1ccc([C@H]2Oc3nc(N)c(C#N)c(N)c3C3=C2C[C@@]2(C)[C@@H](CC[C@@H]4[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]42)C3)cc1 ZINC000049776377 KK Annotated Mild COc1ccc([C@@H]2Oc3nc(N)c(C#N)c(N)c3C3=C2C[C@@]2(C)[C@@H](CC[C@@H]4[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]42)C3)cc1 ZINC000049776378 KK Annotated Mild CC[C@H]1C[C@H]2CN3CCc4c([nH]c5cc([C@@H]6C[C@@H]7[C@H](CC)CN(C)[C@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)cc45)[C@](C(=O)OC)(C2)[C@H]13 ZINC000049776380 KK Annotated Anodyne C[C@@H](c1ccc(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCN2CCOCC2)C(=O)[C@H]1c1ccc(Cl)cc1 ZINC000049776385 KK Annotated Anodyne CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc([C@@H]6C[C@@H]7[C@H](CC)CN(C)[C@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)ccc5c4CCN(C2)[C@@H]13 ZINC000049776393 KK Annotated Anodyne CCn1c(-c2ccccc2)c(C(c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c2c(-c3ccccc3)n(CC)c3ccccc23)c2ccccc21 ZINC000049776400 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049776983 KK Annotated Anodyne COc1ccc2oc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)cc2c1 ZINC000049776985 KK Annotated Anodyne COc1ccc(-c2cn(Cc3cc(OC)c(OC)c(OC)c3)c(OCc3cc(OC)c(OC)c(OC)c3)c2-c2ccc(OC)c(OC)c2)cc1OC ZINC000049776990 KK Annotated Anodyne COc1cc2c(cc1OCCCCCCN1CCN(C(=O)c3ccccc3NCc3ccncc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049776997 KK Annotated Anodyne Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccc(F)cc4)c(C(F)(F)F)nc23)c(C)c1 ZINC000049777046 KK Annotated Mild Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4cccc(F)c4)c(C(F)(F)F)nc23)c(C)c1 ZINC000049777048 KK Annotated Mild CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1 ZINC000049777050 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCC(C(=O)N5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777056 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5ccncc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777058 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(C(=O)c5cccn5C)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777059 KK Annotated Anodyne O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2o1 ZINC000049777060 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1 ZINC000049777066 KK Annotated Reactive COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3cc(Cl)ccc3NCc3coc4ccccc4c3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777070 KK Annotated Anodyne O=C(NCC1=C[C@@H]2Oc3ccccc3C(=O)C2=CN1c1ncc(Br)cc1Br)c1ccc(Cl)c(Cl)c1 ZINC000049777075 KK Annotated Mild COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=S)N(CCc3cc(OC)c(OC)c(OC)c3)C2=O)cc1OC ZINC000049777094 KK Annotated Anodyne O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1ccsc1 ZINC000049777115 KK Annotated Anodyne C=C[n+]1ccc(-c2cc[n+](Cc3cc(C[n+]4ccc(-c5cc[n+](C=C)cc5)cc4)cc(C[n+]4ccc(-c5cc[n+](C=C)cc5)cc4)c3)cc2)cc1 ZINC000049777123 KK Annotated Anodyne COc1cc(F)c2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5ccc(C(=O)N6CCOCC6)cc5)cc4C3=O)c2c1 ZINC000049777135 KK Annotated Mild CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2C[C@H](O)C[C@H]2CO)cc1-c1ccccc1Cl ZINC000049777139 KK Annotated Anodyne CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCCC[C@H]2CO)cc1-c1ccccc1Cl ZINC000049777172 KK Annotated Anodyne COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3coc4ccccc4c3=O)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777179 KK Annotated Anodyne Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccc(Cl)cc4)c(C(F)(F)F)nc23)c(C)c1 ZINC000049777187 KK Annotated Anodyne COc1ccc2[nH]c(-c3c(C)nn(C)c3C)c(/C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1 ZINC000049777189 KK Annotated Mild CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@@H]2CO)cc1-c1ccccc1Cl ZINC000049777190 KK Annotated Anodyne CCOc1nc(-c2ccc(Br)cc2)c(Sc2ccc(Cl)cc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049777220 KK Annotated Mild COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3cc(Cl)ccc3NCc3ccc4ccccc4c3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049777236 KK Annotated Anodyne BrCc1cc(CBr)cc(-[n+]2ccc(-c3cc[n+](-c4cc(CBr)cc(CBr)c4)cc3)cc2)c1 ZINC000049777246 KK Annotated Reactive CC[n+]1ccc(-c2cc[n+](Cc3cc(C[n+]4ccc(-c5cc[n+](CC)cc5)cc4)cc(C[n+]4ccc(-c5cc[n+](CC)cc5)cc4)c3)cc2)cc1 ZINC000049777247 KK Annotated Anodyne CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CCC[C@H]2CO)cc1-c1ccccc1Cl ZINC000049777263 KK Annotated Anodyne S=C(NCCCNCCCNCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000049777267 KK Annotated Anodyne O=C(NC1(C(=O)N[C@@H](CCCN2CCN(CC3CCOCC3)CC2)Cc2ccccc2)CCCC1)c1cc2ccccc2s1 ZINC000049777276 KK Annotated Anodyne O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000049777278 KK Annotated Mild N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 ZINC000049777279 KK Annotated Reactive N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 ZINC000049777280 KK Annotated Reactive N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 ZINC000049777281 KK Annotated Reactive N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 ZINC000049777282 KK Annotated Reactive CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N(CCO)CCCO)cc1-c1ccccc1Cl ZINC000049777296 KK Annotated Anodyne CC(=O)OC(C)(C)[C@H]1C[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O ZINC000049777309 KK Annotated Anodyne CCCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(=O)(=O)[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049777372 KK Annotated Bother CCCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])S(=O)(=O)[C@H](c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000049777373 KK Annotated Bother Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](CCCN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777426 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCN4CCC(N(C)C5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049777427 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nn(CN(c3ccccc3)c3ccccc3)c(=S)n2/N=C/c2ccc(Br)cc2)cc1 ZINC000049777442 KK Annotated Mild CC(C)Cc1ccc([C@H](C)c2nn(CN(c3ccccc3)c3ccccc3)c(=S)n2/N=C/c2ccc(Br)cc2)cc1 ZINC000049777443 KK Annotated Mild COc1ccc(/C=C/C(=O)OCCCN(C)CCCOC(=O)c2c3ccccc3c(Cl)c3ccccc23)cc1OC ZINC000049777471 KK Annotated Bother O=C1NN(c2nc(-c3ccccc3)c(Br)s2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000049777472 KK Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)c(Br)s2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 ZINC000049777473 KK Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)c(Br)s2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000049777474 KK Annotated Anodyne O=C1NN(c2nc(-c3ccccc3)c(Br)s2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 ZINC000049777475 KK Annotated Anodyne CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc(O)c5c4N[C@@H]4CC[C@@]6(CC)CCCN7CC[C@@]54[C@H]76)C1)[C@H]32 ZINC000049777486 KK Annotated Anodyne O=c1c2ccccc2oc2c(OCCCCCCBr)c(OCCCCCCBr)ccc12 ZINC000049777505 KK Annotated Reactive CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6CCC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000049777506 KK Annotated Anodyne CC(C)C(=O)O[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(=O)O)CC[C@]23C)C1(C)C ZINC000049777508 KK Annotated Anodyne C=C(C)[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2O[C@H]1C=C(C)C)C3=O ZINC000049777509 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2O[C@H]1C=C(C)C)C3=O ZINC000049777510 KK Annotated Mild NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCC12CC3CC(CC(C3)C1)C2 ZINC000049777517 KK Annotated Anodyne COc1ccc(/C=C/C(=O)OCCCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc1OC ZINC000049777545 KK Annotated Bother CO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)/C=C/[C@H](C)[C@H](O)C(C)C ZINC000049777546 KK Annotated Anodyne Oc1ccc(CN(Cc2cccc(I)c2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049777569 KK Annotated Anodyne Cc1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)/C(=N\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C23CCC3)cc1 ZINC000049777577 KK Annotated Mild Cc1ccc(-n2cc(C(=O)c3ccccc3)c(C(=O)c3cn(-c4ccccc4)nc3C(=O)/C=C/N(C)C)n2)cc1 ZINC000049777590 KK Annotated Mild CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(C[C@H](O)[C@@]5(C)O[C@@H]45)C[C@@H](C)[C@@H]3[C@@]12C ZINC000049777607 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)C[C@@H]3O[C@@]4(CC[C@@]5(C)O[C@@H]45)C[C@@H](C)[C@@H]3[C@@]12C ZINC000049777608 KK Annotated Anodyne CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)cc1C(=O)c1ccccc1 ZINC000049777614 KK Annotated Anodyne S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777635 KK Annotated Anodyne S=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000049777636 KK Annotated Anodyne CC(C)CCCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049777637 KK Annotated Anodyne Fc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777638 KK Annotated Anodyne Fc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777639 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@@H]([C@H](O)C(C)(C)O)C3)[C@]12C ZINC000049777640 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n([C@@H]2COCO2)c(=O)n13 ZINC000049777646 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@]3(C(C)C)C1=C1[C@H](C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]1(C)CC2)n1c(=O)n([C@H]2COCO2)c(=O)n13 ZINC000049777647 KK Annotated Anodyne Cc1ccc(N2/C(=N/c3ccc(C#N)c(C(F)(F)F)c3)S/C(=N\C(S)=N\c3ccc(C#N)c(C(F)(F)F)c3)C2(C)C)cc1 ZINC000049777654 KK Annotated Mild CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1ccccc1 ZINC000049777696 KK Annotated Anodyne C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(OC)cc2o1 ZINC000049777704 KK Annotated Mild CC(C)C[C@@H](CN1CCC[C@@H]1CN1CCNC[C@@H]1Cc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049777725 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1CCNC[C@@H]1Cc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049777726 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049777727 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCC2CCCCC2)cc1 ZINC000049777728 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCC2CCCCC2)cc1 ZINC000049777729 KK Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049777732 KK Annotated Anodyne CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049777733 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2[C@](C)(C=O)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049777775 KK Annotated Mild C=C1C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049777776 KK Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2[C@H](O)C(=O)C=C[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049777777 KK Annotated Mild Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000049777778 KK Annotated Anodyne Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000049777779 KK Annotated Anodyne Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000049777780 KK Annotated Anodyne Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000049777781 KK Annotated Anodyne CCCN(CCC)CCCOc1ccc(C(=O)c2c(-c3ccc(OCCCN(CCC)CCC)cc3)oc3ccc(Cl)cc23)cc1 ZINC000049777852 KK Annotated Anodyne CCOc1ccc(-n2c([C@@H](C)N(C[C@H]3CCCN3)C(=O)Cc3ccc(F)c(C(F)(F)F)c3)nc3ncccc3c2=O)cc1 ZINC000049777899 KK Annotated Anodyne CO[C@H]1O[C@H](COc2ccc(OC3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049777966 KK Annotated Anodyne CO[C@H]1O[C@H](COc2ccc(C3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049777978 KK Annotated Anodyne CCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)OCCCCCCCCC[C@H]4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N1)N23 ZINC000049778029 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCc3c(C(=O)OCCCCCCC[C@H]4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)c(C)nc([n+]32)N1 ZINC000049778030 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5c(C#N)c(N)n(-c6ccccc6)c(=S)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000049778038 KK Annotated Mild CCCCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049778057 KK Annotated Anodyne CCCCCCCCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049778058 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2C(=O)C(OC)=CC(=O)[C@]21c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049778081 KK Annotated Mild CCCN(CCC)CCCN(CCCN(CCC)CCC)c1cc(C)nc(Nc2ccc3cc(Br)ccc3c2)n1 ZINC000049778093 KK Annotated Anodyne C[C@@H]1CN(c2ncc([C@H](O)c3ccccc3)cc2C(F)(F)F)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000049778142 KK Annotated Mild CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c([C@@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778146 KK Annotated Anodyne CC(C)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)c([C@H](O)C(C)C)cn3Cc2c(F)cccc2F)cc1 ZINC000049778147 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778171 KK Annotated Bother O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778172 KK Annotated Bother O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc([N+](=O)[O-])c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778173 KK Annotated Bother CCN(C(C)=O)c1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)c(F)c2)c1 ZINC000049778179 KK Annotated Anodyne Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@@]2(C)COC(=O)COCCOC(=O)COc1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000049778205 KK Annotated Clean Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCC[C@]2(C)COC(=O)COCCOC(=O)COc1cccc(C2(C(F)(F)F)N=N2)c1 ZINC000049778206 KK Annotated Clean CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc2c(c1)Oc1cc(OC)ccc1[C@]21OC(=O)c2ccccc21 ZINC000049778233 KK Annotated Anodyne CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc2c(c1)Oc1cc(OC)ccc1[C@@]21OC(=O)c2ccccc21 ZINC000049778234 KK Annotated Anodyne CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC)[C@H]1C ZINC000049778252 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049778304 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049778305 KK Annotated Mild O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778310 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778311 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778312 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCC2)c1 ZINC000049778313 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778322 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778323 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778324 KK Annotated Anodyne O=C(c1ccc(F)cc1)N(C[C@@H]1CCC[C@H](N(Cc2cccc(Cl)c2)C(=O)C(Cl)(Cl)Cl)C1)c1cccc(OCCN2CCCCC2)c1 ZINC000049778325 KK Annotated Anodyne C[C@@H](N)C(=O)Nc1cc(C(C)(C)C)cc(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)[C@@H](C)N)c3SCCN)c2)c1SCCN ZINC000049778351 KK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)(C)CC(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCCCCCCCCCC(=O)O)CC1 ZINC000049778353 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@@H](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049778390 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@H](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049778391 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049778392 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCC[C@H](CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049778393 KK Annotated Mild C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCC(C)(C)N1CCOCC1 ZINC000049778395 KK Annotated Mild C[C@H](NC(=O)Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049780019 KK Annotated Reactive C[C@@H](NC(=O)Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049780020 KK Annotated Reactive C[C@@H](NC(=O)Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049780021 KK Annotated Reactive CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1 ZINC000049780022 KK Annotated Anodyne O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3cc(C(=O)N4CCOCC4)ccc3-c3ccc(Cl)cc3)cc1F)n2C1CCCCC1 ZINC000049780031 KK Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)C1CCCCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049780034 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000049780057 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000049780058 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)nn1)OC1CCCC1 ZINC000049780064 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nn1)OC1CCCC1 ZINC000049780070 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049780080 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049780081 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000049780082 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000049780083 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000049780084 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000049780085 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780086 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780087 KK Annotated Anodyne COc1ccccc1CN1CCC([C@H]2c3ccc(-c4cccc(C#N)c4)cc3CCN2CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000049780093 KK Annotated Mild O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3)CC2)c(C(=O)c2ccccc2)c1 ZINC000049780121 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3)CC2)c(C(=O)c2ccccc2)c1 ZINC000049780122 KK Annotated Bother CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000049780146 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000049780147 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C=C1[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H]([C@H](C#N)N1[C@H]2CN1[C@H](C#N)c2ccccc2[C@@H]1C#N)N3C ZINC000049780163 KK Annotated Mild CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000049780178 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000049780179 KK Annotated Anodyne C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049780211 KK Annotated Bother C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049780212 KK Annotated Bother NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCCC1CCCC1 ZINC000049780214 KK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H](O)[C@H]3[C@]4(C)CC[C@H]([C@H](C)Cc5cc(C)co5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000049780228 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C[C@@H](NCc3ccn[nH]3)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780235 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C[C@H](NCc3ccn[nH]3)[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780236 KK Annotated Mild CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C2)C[C@@H]1C ZINC000049780241 KK Annotated Anodyne CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049780279 KK Annotated Anodyne COc1cc2c(cc1OCCCCCN1CCN(C(=O)c3ccccc3NCc3ccncc3)CC1)N=C[C@@H]1CCCN1C2=O ZINC000049780281 KK Annotated Anodyne COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccc(Br)cc3Br)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000049780294 KK Annotated Anodyne CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)O[C@@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N23 ZINC000049780313 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N23 ZINC000049780314 KK Annotated Mild O=C1CC(CSc2nnc(-c3ccncc3)o2)=NN1c1c2ccccc2nc2ccc(Br)cc12 ZINC000049780318 KK Annotated Clean CC(C)CC(=O)O[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(=O)O)CC[C@]23C)C1(C)C ZINC000049780331 KK Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCN(C)C)nc(Nc5ccc(F)cc5)n4)cc3)c2c1 ZINC000049780333 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCCN(C)C)nc(Nc5ccc(F)cc5)n4)cc3)c2c1 ZINC000049780335 KK Annotated Clean COC(=O)/C=C/C=C/[C@H]1[C@H](/C=C/C=C/CCCC(=O)NCCC(=O)NCCc2c[nH]c3ccccc23)C=C[C@@H]2CCC[C@H]21 ZINC000049780386 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCC12CC3CC(CC(C3)C1)C2 ZINC000049780401 KK Annotated Anodyne C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(CN1c3cc(Br)ccc3[C@]3(C(C)(C)C=C)CCN(C)[C@H]13)c1cc(Br)ccc12 ZINC000049780418 KK Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2[C@H](O)C(OC)=CC(=O)[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049780435 KK Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@H]1C(C)=CC[C@H]2[C@@H](O)C(OC)=CC(=O)[C@@]12c1cc(=O)c2c(O)cc(O)cc2o1 ZINC000049780436 KK Annotated Mild CO[C@@H]1O[C@H](COc2ccc(OC3CCCCC3)cc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049780443 KK Annotated Anodyne c1ccc(C[C@H]2CNCCN2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2CCN(CC34CC5CC(CC(C5)C3)C4)[C@@H](Cc3ccccc3)C2)cc1 ZINC000049780450 KK Annotated Anodyne COc1ccc(OC(=O)N(CC(=O)O)[C@@H](C)c2cccc(OCc3coc(-c4ccc(Cl)cc4)n3)c2)cc1 ZINC000049780465 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049780466 KK Annotated Anodyne Cc1ccc(N2/C(=N/c3ccc(C#N)c(C(F)(F)F)c3)S/C(=N\C(=S)Nc3ccc(C#N)c(C(F)(F)F)c3)C23CCC3)cc1 ZINC000049780468 KK Annotated Mild C=CC(C)(C)[C@@]12CCN(C)[C@@H]1N(Cc1cc(Br)c3c(c1O)[C@]1(C/C=C(\C)CCC=C(C)C)CCN(C)[C@@H]1N3)c1cc(Br)ccc12 ZINC000049780490 KK Annotated Mild Cc1c(C(=O)N/N=C(/C=C/c2ccccc2)C(=N/Nc2ccc([N+](=O)[O-])cc2)\N2CCCCC2)oc2ccccc12 ZINC000049780494 KK Annotated Reactive FC(F)(F)c1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780510 KK Annotated Anodyne FC(F)(F)c1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049780511 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)Nc4ccccc4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049780512 KK Annotated Anodyne CCCCCCCN[C@H](CN[C@@H](Cc1ccccc1)CN1CCC[C@H]1CN[C@H](CN)Cc1ccccc1)Cc1ccccc1 ZINC000049780514 KK Annotated Mild N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=N ZINC000049780515 KK Annotated Anodyne Cc1noc(C)c1-c1cccc(CNCc2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cc2)c1 ZINC000049780520 KK Annotated Anodyne CC(C)[C@@H](CN1CCC[C@@H]1CN1CCNC[C@@H]1Cc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780538 KK Annotated Anodyne CC(C)[C@@H](CN1CCC[C@H]1CN1CCNC[C@@H]1Cc1ccccc1)N1CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)C1 ZINC000049780539 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C)C(=C)C ZINC000049780540 KK Annotated Mild C=C(C)CC[C@@H](C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C)C(=C)C ZINC000049780541 KK Annotated Mild CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@](CC=C(C)C)(C3=O)C1(C)C ZINC000049780542 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H](CO)[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc([C@]2(O)Cc3cc(O)c(=O)c(C)c4c3[C@@H](O2)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]42)cc(O)c(=O)c1C ZINC000049780543 KK Annotated Anodyne O=C1[C@@H](CCn2cc(CO[C@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000049780545 KK Annotated Clean COc1ccc([C@@H]2[C@H](CCn3cc(CO[C@H]4Cc5c(O)cc(O)cc5O[C@@H]4c4ccc(O)c(O)c4)nn3)C(=O)N2c2ccccc2)cc1 ZINC000049780546 KK Annotated Clean COc1ccc([C@@H]2[C@H](CCn3cc(CO[C@@H]4Cc5c(O)cc(O)cc5O[C@@H]4c4ccc(O)c(O)c4)nn3)C(=O)N2c2ccccc2)cc1 ZINC000049780547 KK Annotated Clean O=C1CCN(c2ccccc2)C[C@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000049780575 KK Annotated Anodyne O=C1CCN(c2ccccc2)C[C@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Br)cc21 ZINC000049780576 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000049780584 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000049780585 KK Annotated Reactive CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)OC(C)C)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049780587 KK Annotated Anodyne O=c1c2c(-c3ccccc3)c3c(nc2nc2sc4nc5ccccc5nc4n12)/C(=C\c1ccccc1)CCC3 ZINC000049780594 KK Annotated Bother CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C6CCCC6)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000049780599 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccnc(F)c3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780603 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccnc(F)c3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780604 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3ncco3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780658 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3ncco3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780659 KK Annotated Mild CCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049780663 KK Annotated Anodyne CCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049780664 KK Annotated Anodyne CCOc1ccc(C(=C2C=CC(=O)C=C2)c2c(-c3ccc(O)cc3)ccc(CO)c2C#Cc2ccc(O)cc2)cc1 ZINC000049780669 KK Annotated Mild CCCCCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049780683 KK Annotated Anodyne CC(=O)c1ccc(-n2c(-c3cc(-c4ccc(S(C)(=O)=O)cc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)cc1 ZINC000049780692 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccncc3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780696 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccncc3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780697 KK Annotated Mild Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049780715 KK Annotated Mild Cc1cc(Cl)c(OCCCc2ccc(C[C@H](CN)C(=O)N(Cc3cc(CCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049780716 KK Annotated Mild CCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@@H]4CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049780717 KK Annotated Anodyne NC[C@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780778 KK Annotated Anodyne NC[C@@H](Cc1ccc(CCCOc2c(F)ccc(F)c2Cl)cc1)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000049780779 KK Annotated Anodyne CCCCCCC[C@H](O)C(C)(C)C(=O)NCc1cc(CCCCC[C@]2(O)C(C)(C)C(=O)N3[C@@H](C(C)(C)C)OC[C@@]32C(=O)OC)no1 ZINC000049780828 KK Annotated Mild CCCCCCC[C@@H](O)C(C)(C)C(=O)NCc1cc(CCCCC[C@]2(O)C(C)(C)C(=O)N3[C@@H](C(C)(C)C)OC[C@@]32C(=O)OC)no1 ZINC000049780829 KK Annotated Mild CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C[C@@](C)([C@]1(C)CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1/C=C/c1ccoc1)[C@H]2/C=C/c1ccoc1 ZINC000049780834 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C[C@@](C)([C@@]1(C)CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1/C=C/c1ccoc1)[C@H]2/C=C/c1ccoc1 ZINC000049780835 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C[C@](C)([C@]1(C)CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1/C=C/c1ccoc1)[C@H]2/C=C/c1ccoc1 ZINC000049780836 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C[C@](C)([C@@]1(C)CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1/C=C/c1ccoc1)[C@H]2/C=C/c1ccoc1 ZINC000049780837 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CCN(C(C)(C)C)CC3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780848 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CCN(C(C)(C)C)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780849 KK Annotated Mild CS(=O)(=O)c1ccc(-c2cc(-c3nc4ccccc4c(=O)n3-c3ccccc3)sc2N2CCOCC2)cc1 ZINC000049780884 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3cncnc3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780886 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3cncnc3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049780888 KK Annotated Mild CSc1ccc(C2=C(N3CCOCC3)CSC(c3nc4ccccc4c(=O)n3-c3cccc(C)c3)=C2)cc1 ZINC000049780908 KK Annotated Anodyne CCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049780982 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1ccc(C2=NN3C(c4ccc(Br)cc4)=CS[C@@H]3N2)cc1 ZINC000049780987 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)c1ccc(C2=NN3C(c4ccc(Br)cc4)=CS[C@H]3N2)cc1 ZINC000049780988 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3cccnc3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781018 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3cccnc3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781019 KK Annotated Mild CCCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049781036 KK Annotated Anodyne CCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049781037 KK Annotated Anodyne Cc1cc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@@H]3C2)ccn1 ZINC000049781045 KK Annotated Mild Cc1cc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@H]3C2)ccn1 ZINC000049781048 KK Annotated Mild COc1cccc(C2(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3nc4ccccc4s3)CC2)c1 ZINC000049781103 KK Annotated Anodyne Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781105 KK Annotated Anodyne Cc1cc(Cl)c(OCCCc2ccc(C[C@H](CN)C(=O)N(Cc3cc(CCCO)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781106 KK Annotated Anodyne Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781108 KK Annotated Anodyne Cc1cc(Cl)c(OCCCc2ccc(C[C@H](CN)C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049781109 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781110 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781111 KK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1 ZINC000049781125 KK Annotated Anodyne CCCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)C)O4)CC[C@]23C)C1(C)C ZINC000049781136 KK Annotated Anodyne COCCOc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781150 KK Annotated Anodyne COCCOc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781151 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)OCC(C)C)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049781197 KK Annotated Anodyne COc1cc(-c2c(-c3ccncc3)nn3c(-c4ccc(N5C[C@@H]6C[C@H]5CN6C)cc4C)ccnc23)ccc1F ZINC000049781226 KK Annotated Anodyne Cc1noc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@@H]3C2)n1 ZINC000049781229 KK Annotated Mild Cc1noc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@H]3C2)n1 ZINC000049781230 KK Annotated Mild COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(C)(C)[C@@]2(O)CCCCCc1cc(CNC(=O)C(C)(C)[C@H](O)CCCCc2ccccc2)on1 ZINC000049781232 KK Annotated Anodyne COC(=O)[C@]12CO[C@H](C(C)(C)C)N1C(=O)C(C)(C)[C@@]2(O)CCCCCc1cc(CNC(=O)C(C)(C)[C@@H](O)CCCCc2ccccc2)on1 ZINC000049781233 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3cn[nH]c3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781234 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3cn[nH]c3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781235 KK Annotated Mild CCCCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049781238 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CCOCC3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781248 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CCOCC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781249 KK Annotated Mild COCCCc1ccc(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781265 KK Annotated Anodyne COCCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781266 KK Annotated Anodyne COc1cccc(-n2c(-c3cc(-c4ccc(S(C)(=O)=O)cc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)c1 ZINC000049781282 KK Annotated Anodyne COc1ccc(-n2c(-c3cc(-c4ccc(S(C)(=O)=O)cc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)cc1 ZINC000049781318 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccc[n+]([O-])c3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781333 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccc[n+]([O-])c3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049781334 KK Annotated Mild C=CCSc1nc2ccc(N(C/C=C/c3ccccc3)C/C=C/c3ccccc3)cc2c(=O)n1Cc1ccccc1 ZINC000049781360 KK Annotated Mild Clc1ccc(OCc2nnc3sc(-c4nn5c(COc6ccc(Cl)cc6Cl)nnc5s4)nn23)c(Cl)c1 ZINC000049781371 KK Annotated Anodyne CCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049781391 KK Annotated Anodyne COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781406 KK Annotated Anodyne COCCCc1cc(Cl)c(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000049781407 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4CC(F)(F)F)n3)CC2(C)C)cc1 ZINC000049781408 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(n3)nc(C(F)(F)F)n4C)CC2(C)C)cc1 ZINC000049781409 KK Annotated Clean CC1(C)C[C@H](NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049781423 KK Annotated Anodyne CC1(C)C[C@@H](NC(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049781424 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)c1cc(C(=O)Nc2ccsc2C(=O)O)[nH]n1 ZINC000049781435 KK Annotated Mild Cc1ccc(C)c(N2CCN(Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3[C@@H](C)O)CC2)c1 ZINC000049781894 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000049781927 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000049781930 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000049781943 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000049781944 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1cccc(Br)c1)C2=O ZINC000049783646 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc(Br)cc1)C2=O ZINC000049783647 KK Annotated Mild CC1(C)C[C@@H](NC(=O)c2n[nH]c3ccccc23)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049783648 KK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(/C=C2\CN(C(=O)OCC)C/C(=C\c3cccc(NC(=O)C(=C)Br)c3)C2=O)c1 ZINC000049783695 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCC(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049783700 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](C)C(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049783712 KK Annotated Mild CC(=O)O[C@@H]1[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)CCCC(C)(C)[C@]2(O)[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000049783719 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](C)C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049783728 KK Annotated Anodyne C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049783763 KK Annotated Bother C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049783764 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049783792 KK Annotated Mild C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@]5(C)O[C@@H](CC/C=C(C)/C(C)=C/C=O)[C@@H](C)C[C@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O ZINC000049783803 KK Annotated Reactive C[C@@H](O[C@H]1CN2C(=O)C=C(N3CCC(O)CC3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049783818 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(N3CCC(O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049783819 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1C(F)(F)F)C2=O ZINC000049783826 KK Annotated Mild CO[C@H]1O[C@H](COc2ccc(C3CCCCC3)cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049783827 KK Annotated Anodyne CC(C)(CN1C(=O)c2cccc3cc(N)cc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cc(N)cc(c23)C1=O ZINC000049783830 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000049783834 KK Annotated Mild CCCO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C ZINC000049783885 KK Annotated Anodyne CCCO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(Cl)c1C)cc(=O)n2C)c1cncn1C ZINC000049783886 KK Annotated Anodyne Cc1cc(Cl)c(OCCCc2ccc(C[C@@H](CN)C(=O)N(Cc3cc(CCCC#N)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000049783909 KK Annotated Mild CCOC(=O)[C@@H](NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2c[n+]1Cc1ccccc1)C(C)C ZINC000049783922 KK Annotated Anodyne CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C#CC[N+](C)(C)C)CC4(C)C)cc3C#CC[N+](C)(C)C ZINC000049783984 KK Annotated Mild CCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049783995 KK Annotated Anodyne CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cccc(C(=O)O)c3s1)C[C@H]2c1ccc(C#N)cc1 ZINC000049783997 KK Annotated Mild CCOC(=O)[C@H](CCSC)NC(=O)c1cc2c3ccccc3n(CCCc3ccccc3)c2c[n+]1Cc1ccccc1 ZINC000049784014 KK Annotated Anodyne C=CCO[C@@H]1[C@@H](Oc2ccc(OC3CCCCC3)cc2)[C@@H](OC)O[C@H](COc2ccc(C3CCCCC3)cc2)[C@H]1OCC=C ZINC000049784056 KK Annotated Mild C=C(Br)C(=O)Nc1cccc(/C=C2\CC(C)C/C(=C\c3cccc(NC(=O)C(=C)Br)c3)C2=O)c1 ZINC000049784068 KK Annotated Mild Cc1cccc(-n2c(-c3cc(-c4ccc(S(C)(=O)=O)cc4)c(N4CCOCC4)s3)nc3ccccc3c2=O)c1 ZINC000049784074 KK Annotated Anodyne CCCCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049784075 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000049784076 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000049784077 KK Annotated Anodyne NCCc1cn(Cc2ccc(-c3cccc(C(F)(F)F)c3)cc2)c2ccc(OCCc3ccc(O)cc3)cc12 ZINC000049784080 KK Annotated Anodyne CCn1cncc1[C@@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3ccccc3)c1)cc(=O)n2C ZINC000049784082 KK Annotated Anodyne CCn1cncc1[C@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(-c3ccccc3)c1)cc(=O)n2C ZINC000049784083 KK Annotated Anodyne CCn1cncc1[C@@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cc3ccccc3)c1)cc(=O)n2C ZINC000049784084 KK Annotated Anodyne CCn1cncc1[C@](OC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cc3ccccc3)c1)cc(=O)n2C ZINC000049784085 KK Annotated Anodyne C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049784092 KK Annotated Bother C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049784093 KK Annotated Bother CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(Cl)cccc1Cl)cc(=O)n2C)c1cncn1C ZINC000049784145 KK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1c(Cl)cccc1Cl)cc(=O)n2C)c1cncn1C ZINC000049784146 KK Annotated Anodyne CC(C)(CN1C(=O)c2cccc3c(N)ccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3c(N)ccc(c23)C1=O ZINC000049784151 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc(Cl)cc1)C2=O ZINC000049784175 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1Br)C2=O ZINC000049784176 KK Annotated Mild CCc1noc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@@H]3C2)n1 ZINC000049784183 KK Annotated Mild CCc1noc(C2=CC(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@H]3C2)n1 ZINC000049784184 KK Annotated Mild C=C(Br)C(=O)Nc1cccc(/C=C2\CN(C(=O)OC)C/C(=C\c3cccc(NC(=O)C(=C)Br)c3)C2=O)c1 ZINC000049784262 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CC[C@H](O)CC3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049784273 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CC[C@H](O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049784274 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CC[C@@H](O)CC3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049784275 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(C3=CC[C@@H](O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049784276 KK Annotated Mild CCCCn1c2ccccc2c2cc(C(=O)N[C@@H](CCSC)C(=O)OCC)[n+](Cc3ccccc3)cc21 ZINC000049784290 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1cccc(OC)c1)C2=O ZINC000049784340 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](C)C(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784423 KK Annotated Anodyne COC1=CC(=O)C(O)=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@@H](COC(=O)CCCCCNC(=O)OC(C)(C)C)CCC[C@H]32)C1=O ZINC000049784451 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(N)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049784484 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)N4CCOCC4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049784487 KK Annotated Anodyne COc1cc(N2CCN(C3CCN(c4ccc(F)c5cc(C(F)(F)F)cnc45)CC3)CC2)c2ncccc2c1 ZINC000049784574 KK Annotated Anodyne C=C(C)CC[C@@H]1C[C@]23C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000049784584 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C/C=C/CCCCCCCC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049784585 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049784586 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)OCc4ccccc4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049784600 KK Annotated Anodyne CCCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049784601 KK Annotated Anodyne CC(C)COC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049784602 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)N(C)C)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049784603 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)NCc4ccccc4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049784604 KK Annotated Anodyne CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cccc(C(=O)O)c3o1)C[C@H]2c1ccc(C#N)cc1 ZINC000049784609 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCC(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784614 KK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(/C=C2\CCCCC/C(=C\c3cccc(NC(=O)C(=C)Br)c3)C2=O)c1 ZINC000049784649 KK Annotated Mild Cc1cc(/C=N/n2cc(C(=O)c3ccccc3)c(-c3ccccc3)nc2=O)c(O)c(/C=N/n2cc(C(=O)c3ccccc3)c(-c3ccccc3)nc2=O)c1 ZINC000049784651 KK Annotated Mild O=C(c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)C(Br)Br ZINC000049784653 KK Annotated Reactive O=C(c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)C(Br)Br ZINC000049784654 KK Annotated Reactive O=C(c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)C(Br)Br ZINC000049784655 KK Annotated Reactive CC(C)c1cc2c3c(c1OC(=O)CCC(=O)Oc1c(C(C)C)cc4c5c1OC(=O)[C@@]51CCCC(C)(C)[C@@H]1CC4)OC(=O)[C@]31CCCC(C)(C)[C@@H]1CC2 ZINC000049784687 KK Annotated Anodyne CC(C)c1cc2c3c(c1OC(=O)CCC(=O)Oc1c(C(C)C)cc4c5c1OC(=O)[C@@]51CCCC(C)(C)[C@@H]1CC4)OC(=O)[C@]31CCCC(C)(C)[C@H]1CC2 ZINC000049784688 KK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3Cl)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049784710 KK Annotated Anodyne Oc1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)/C2=C/Nc2ccc(Cl)cc2)cc1 ZINC000049784711 KK Annotated Anodyne CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC(C)=O)ccc(C(=O)CCC)c2OC(C)=O)C1=O ZINC000049784729 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC(C)=O)ccc(C(=O)CCC)c2OC(C)=O)C1=O ZINC000049784730 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC(C)=O)ccc(C(=O)CCCCC)c2OC(C)=O)C1=O ZINC000049784731 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@@](C)(CC=C(C)C)C(OC(C)=O)=C(Cc2c(OC(C)=O)ccc(C(=O)CCCCC)c2OC(C)=O)C1=O ZINC000049784732 KK Annotated Mild C=C1[C@H](OC(=O)CCCCCNC(=O)OC(C)(C)C)CC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=C(Cl)C(=O)C=C(OC)C1=O ZINC000049784748 KK Annotated Mild O=C(c1ccc2c(c1)CCCC2)[C@@H]1O[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc3c(c2)CCCC3)O[C@@H]1c1ccc(Br)cc1 ZINC000049784753 KK Annotated Anodyne O=C(c1ccc2c(c1)CCCC2)[C@@H]1O[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc3c(c2)CCCC3)O[C@H]1c1ccc(Br)cc1 ZINC000049784754 KK Annotated Anodyne O=C(c1ccc2c(c1)CCCC2)[C@H]1O[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc3c(c2)CCCC3)O[C@@H]1c1ccc(Br)cc1 ZINC000049784755 KK Annotated Anodyne O=C(c1ccc2c(c1)CCCC2)[C@H]1O[C@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc3c(c2)CCCC3)O[C@H]1c1ccc(Br)cc1 ZINC000049784756 KK Annotated Anodyne CCn1cncc1[C@@](OC)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049784768 KK Annotated Anodyne CCn1cncc1[C@](OC)(c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C ZINC000049784769 KK Annotated Anodyne CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3ccc(C(=O)O)cc3o1)C[C@H]2c1ccc(C#N)cc1 ZINC000049784775 KK Annotated Mild CC1(C)C[C@@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049784776 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCC(=O)O[C@@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784800 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCC(=O)O[C@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784801 KK Annotated Anodyne CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3ccc(C(=O)O)cc3s1)C[C@H]2c1ccc(C#N)cc1 ZINC000049784813 KK Annotated Mild CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C(F)(F)F)c1)cc(=O)n2C)c1cncn1C ZINC000049784844 KK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1cccc(C(F)(F)F)c1)cc(=O)n2C)c1cncn1C ZINC000049784845 KK Annotated Anodyne CCCCCCCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049784849 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)OC(C)(C)C)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049784850 KK Annotated Anodyne CC(C)OC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049784855 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc(OC)cc1)C2=O ZINC000049784869 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](C)C(=O)O[C@@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784873 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](C)C(=O)O[C@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784874 KK Annotated Anodyne CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5-c1cc(O)cc(O)c1)CC4(C)C)cc3-c1cc(O)cc(O)c1 ZINC000049784905 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1cccc3ccccc13)C2=O ZINC000049784916 KK Annotated Mild CCCCCCCCCCCCCCCCCCN1C[C@H](C)N(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)C[C@@H]1C ZINC000049784919 KK Annotated Mild CCCCCCCCCCCCCCCCCCN1C[C@@H](C)N(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)C[C@@H]1C ZINC000049784920 KK Annotated Mild Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@H](C)C6=O)c(O)cc(O)c3c(O)c2c(=O)c1C ZINC000049784928 KK Annotated Bother in-vitro N[C@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccc(C(F)(F)F)cc2)C1 ZINC000049784950 KK Annotated Anodyne N[C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccc(C(F)(F)F)cc2)C1 ZINC000049784951 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN1CCN(C(=O)Nc2ccc(Cc3noc(=O)[nH]3)cc2)CC1 ZINC000049784954 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCC(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000049784983 KK Annotated Mild COCCCc1cc(CN(C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000049785030 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000049785031 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN1CCN(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)[C@H](C)C1 ZINC000049785037 KK Annotated Mild CCCCCCCCCCCCCCCCCCN1CCN(C(=O)c2ccc(Cc3noc(=O)[nH]3)cc2)[C@@H](C)C1 ZINC000049785038 KK Annotated Mild C[C@@H](O)C(=O)N[C@@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049785152 KK Annotated Anodyne in-vivo C[C@@H](O)C(=O)N[C@H]1CC2(CCCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21 ZINC000049785153 KK Annotated Anodyne in-vivo CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccccc1C(=O)OC)C2=O ZINC000049785240 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccc(C(=O)OC)cc1)C2=O ZINC000049785241 KK Annotated Mild CCOc1nc(-c2ccc(Cl)cc2)c(Sc2ccc(C)cc2)c(-c2ccc(N(C)C)cc2)c1C#N ZINC000049785353 KK Annotated Mild CCCCCCCCC[C@@H]1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000049785482 KK Annotated Mild CCCCCCCCC[C@H]1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000049785483 KK Annotated Mild Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3cc(NS(=O)(=O)c4cc(Cl)c(Cl)s4)no3)cc(F)cc12 ZINC000049785591 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(\C)[C@@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000049785605 KK Annotated Mild C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000049785606 KK Annotated Mild C=C1[C@@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(\C)[C@@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000049785607 KK Annotated Mild C=C1[C@@H](O)C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000049785608 KK Annotated Mild CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049785682 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCCC1CCCCC1 ZINC000049785700 KK Annotated Anodyne CSc1ccc(CCCCCn2cc(CCNC(=O)OC(C)(C)C)c3cc(OCCc4ccc(O)cc4)ccc32)cc1 ZINC000049785712 KK Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1CCCN[C@H]1CCC[C@@H](C[C@H]2CCC[C@@H](NCCCN3C(=O)c4cccc5cccc(c45)C3=O)C2)C1 ZINC000049785815 KK Annotated Anodyne Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)o3)cc(F)cc12 ZINC000049785898 KK Annotated Anodyne CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5C(=O)/C=C/c1cc(O)cc(O)c1)CC4(C)C)cc3C(=O)/C=C/c1cc(O)cc(O)c1 ZINC000049785945 KK Annotated Mild CO[C@@H]1/C(C)=C/C=C/[C@H](C)[C@@H](c2csc([C@@H](O)CC(C)C)n2)OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@@H]1C ZINC000049785991 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/C(=O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000049785995 KK Annotated Anodyne CC1(C)[C@@H](OS(=O)(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@]4(C)CC4(Cl)Cl)CC[C@]3(COS(=O)(=O)O)CC[C@]21C ZINC000049786107 KK Annotated Anodyne CC1(C)[C@@H](OS(=O)(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@]4(C)CC4(Cl)Cl)CC[C@]3(COS(=O)(=O)O)CC[C@]21C ZINC000049786110 KK Annotated Anodyne COc1ccc(C2=C(c3cccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000049792003 KK Annotated Reactive COc1ccc(C2=C(c3cccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000049792004 KK Annotated Reactive O=C1N[C@@H]2[C@H](CCCCC(=O)OC(=O)CCCCCNOc3ccc(C4=C(c5ccccc5)C(=O)N5CCC[C@H]5C4)cc3)SC[C@@H]2N1 ZINC000049792005 KK Annotated Reactive O=C1N[C@@H]2[C@H](CCCCC(=O)OC(=O)CCCCCNOc3ccc(C4=C(c5ccccc5)C(=O)N5CCC[C@@H]5C4)cc3)SC[C@@H]2N1 ZINC000049792006 KK Annotated Reactive COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](O)[C@@]3(C)O[C@@H](CC/C(C)=C/[C@@H]12)[C@@]1(C)CC[C@@H]3O1 ZINC000049792009 KK Annotated Anodyne CC(=O)O[C@@](C)(CC[C@@H](C)[C@@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049792026 KK Annotated Anodyne CC(=O)O[C@](C)(CC[C@@H](C)[C@@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049792027 KK Annotated Anodyne CC(=O)O[C@@](C)(CC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049792028 KK Annotated Anodyne CC(=O)O[C@](C)(CC[C@@H](C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049792029 KK Annotated Anodyne CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)n1cc(CCCCCCCCCCCCCCCCCCCCCCCC)nn1 ZINC000049792030 KK Annotated Mild CC[C@@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCCC1 ZINC000049792038 KK Annotated Mild CC[C@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCCC1 ZINC000049792039 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C[C@@H](OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)C[C@]2(CCC3(C=CC(=O)C=C3)O2)O1 ZINC000049792086 KK Annotated Mild C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@@]23O[C@H]3[C@H]1O ZINC000049792265 KK Annotated Mild CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000049792266 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@@H]1OC(=O)[C@H](Cc2ccc3c(c2)OCO3)[C@H]1C(Sc1ccccc1)(Sc1ccccc1)c1ccc2c(c1)OCO2 ZINC000049792268 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000049792284 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000049792285 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2[C@@H](C)O)CC1 ZINC000049792286 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049792287 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049792288 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049792289 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049792290 KK Annotated Mild Cc1ccc(Cl)cc1N1CCN(Cc2nnn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)c2[C@H](C)O)CC1 ZINC000049792294 KK Annotated Anodyne C/C(=N\O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@@H]3[C@H]2N(Cc2cccc(/C(C)=N/O)c2)C(=O)N3Cc2cccc(/C(C)=N/O)c2)c1 ZINC000049792302 KK Annotated Mild C/C(=N\O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@H]3[C@H]2N(Cc2cccc(/C(C)=N/O)c2)C(=O)N3Cc2cccc(/C(C)=N/O)c2)c1 ZINC000049792303 KK Annotated Mild C/C(=N\O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@@H]3[C@@H]2N(Cc2cccc(/C(C)=N/O)c2)C(=O)N3Cc2cccc(/C(C)=N/O)c2)c1 ZINC000049792304 KK Annotated Mild C/C(=N\O)c1cccc(COC(=O)CCCC[C@@H]2SC[C@H]3[C@@H]2N(Cc2cccc(/C(C)=N/O)c2)C(=O)N3Cc2cccc(/C(C)=N/O)c2)c1 ZINC000049792305 KK Annotated Mild CCCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049792339 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000049792342 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000049792343 KK Annotated Anodyne O=S(=O)(Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000049792400 KK Annotated Mild O=C(O)c1cccc(Cc2ccc3ccn(Cn4ccc5ccc(Cc6cccc(C(=O)O)c6)cc54)c3c2)c1 ZINC000049792495 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)[nH]c2c(OC)c1OC ZINC000049792717 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)[nH]c2c(OC)c1OC ZINC000049792718 KK Annotated Reactive C[N+]12CCc3ccccc3[C@@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049792796 KK Annotated Bother C[N+]12CCc3ccccc3[C@H]1c1ccc(OCCCCCCCCCCCCOc3ccc4c(c3)CC[N+]3(C)CCc5ccccc5[C@H]43)cc1CC2 ZINC000049792797 KK Annotated Bother CC(C)(C)C1CCC(CN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000049792989 KK Annotated Anodyne Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCC(F)(F)F)Cc4ccccc4)c(C(F)(F)F)nc23)c(C)c1 ZINC000049793223 KK Annotated Anodyne CN(Cc1ccncc1)C(=O)C1CCN(c2ccnc3c2c(/C=C2\Oc4ccc(NC(=O)Nc5cccnc5)cc4C2=O)cn3C)CC1 ZINC000049793243 KK Annotated Mild CC1=C(c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000049793261 KK Annotated Reactive CCCCCCCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049793274 KK Annotated Mild C=C(C)CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000049793287 KK Annotated Mild in-vitro biogenic Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](/C=C/CN4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049793303 KK Annotated Anodyne CN(C)/C=C/C(=O)c1nn(-c2ccccc2)cc1C(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1ccccc1 ZINC000049793312 KK Annotated Mild C=CCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049793323 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@H](C(C)(C)O)C3)[C@](C(=O)c3ccc(O)c(O)c3)(C2=O)C1(C)C)C(=C)C ZINC000049793332 KK Annotated Mild COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2C[C@]4(C[C@@H]5C[C@]67CCC[C@H]6CCN6CC[C@@]8(c9cccc(OC)c9N(C4)[C@@]58O)[C@@H]67)[C@@H]4OCC[C@]4(C1)[C@H]23 ZINC000049793359 KK Annotated Anodyne COc1cc(N2CCN(C3CCN(c4ccc(F)c5ccc(C(F)(F)F)nc45)CC3)CC2)c2ncccc2c1 ZINC000049793366 KK Annotated Anodyne CCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049793382 KK Annotated Anodyne CCCOC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049793383 KK Annotated Anodyne CNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049793384 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)NC(C)(C)C)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000049793385 KK Annotated Anodyne CCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049793386 KK Annotated Anodyne COc1ccc(OC)c(NC(=O)CC(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@H]3[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]34C)C2(C)C)c1 ZINC000049793387 KK Annotated Anodyne Cc1ccccc1-n1c(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c(N3CCOCC3)s2)nc2ccccc2c1=O ZINC000049793389 KK Annotated Anodyne CC[C@@H](C)CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049793392 KK Annotated Anodyne CC[C@H](C)CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049793393 KK Annotated Anodyne c1ccc(CCN2CCN([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793394 KK Annotated Anodyne Cc1ccc(CN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793395 KK Annotated Anodyne C[C@H]1c2ccoc2C[C@H]2[C@H]1[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C ZINC000049793399 KK Annotated Anodyne CC1(C)C[C@@H](NC(=O)c2ccc3[nH]ncc3c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049793423 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000049793429 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/n5c(-c6ccccc6)csc5=S)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049793436 KK Annotated Mild O=S(=O)(c1ccc(Br)cc1)c1ccc(C2=NN3C(c4ccc(Br)cc4)=CS[C@@H]3N2)cc1 ZINC000049793443 KK Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1ccc(C2=NN3C(c4ccc(Br)cc4)=CS[C@H]3N2)cc1 ZINC000049793444 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=N ZINC000049793456 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793457 KK Annotated Anodyne c1ccc(C[C@@H](CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)N2CCN(CC34CC5CC(CC(C5)C3)C4)[C@@H](Cc3ccccc3)C2)cc1 ZINC000049793458 KK Annotated Anodyne Cc1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793459 KK Annotated Anodyne COc1ccc(/C=C/C(=O)OCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc1OC ZINC000049793474 KK Annotated Bother Cc1noc(-c2ccccc2)c1CN1[C@H](c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049793491 KK Annotated Anodyne Cc1noc(-c2ccccc2)c1CN1[C@@H](c2c(C)n(CC(=O)O)c3ccccc23)c2ccccc2S1(=O)=O ZINC000049793492 KK Annotated Anodyne CO[C@H]1O[C@H](COc2ccc(C3CCCCC3)cc2)[C@@H](OC)[C@H](OC)[C@H]1Oc1ccc(OC2CCCCC2)cc1 ZINC000049793504 KK Annotated Anodyne Fc1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793511 KK Annotated Anodyne Fc1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793512 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC2CCCCC2)cc1 ZINC000049793513 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CC2CCCCC2)cc1 ZINC000049793514 KK Annotated Anodyne COc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793515 KK Annotated Anodyne CC(=O)O[C@@H](C=O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc([C@]2(O)Cc3cc(O)c(=O)c(C)c4c3[C@@H](O2)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]42)cc(O)c(=O)c1C ZINC000049793525 KK Annotated Mild CCO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C2)C[C@@H]1C ZINC000049793592 KK Annotated Mild C=C(Br)C(=O)Nc1cccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cccc(NC(=O)C(=C)Br)c3)C2=O)c1 ZINC000049793643 KK Annotated Mild Cc1nn(-c2ccccc2)c2c1cnc1c(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)c(Nc3ccccc3)nn12 ZINC000049793660 KK Annotated Clean CC(C)c1cccc2c1NC(=O)[C@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(c1ccccc1)CCC2=O ZINC000049793687 KK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@@]12CN(c1ccccc1)CCC2=O ZINC000049793688 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3cc[nH]c(=O)c3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049793694 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3cc[nH]c(=O)c3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049793695 KK Annotated Mild O=C(NCCc1cc2cc(c1)CNC(=O)c1coc(n1)-c1coc(n1)-c1cccc(n1)-c1nc(co1)-c1nc(co1)C(=O)NC2)OCc1ccccc1 ZINC000049793737 KK Annotated Anodyne CC[C@@H](C)CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049793741 KK Annotated Anodyne CC[C@H](C)CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049793742 KK Annotated Anodyne COc1cccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049793743 KK Annotated Anodyne CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1 ZINC000049793755 KK Annotated Anodyne S=c1[nH]nc(COc2ccc(Cl)cc2Cl)n1/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000049793778 KK Annotated Mild Oc1ccc(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000049793821 KK Annotated Anodyne CN(C)CCCC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1 ZINC000049793831 KK Annotated Anodyne CCOc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049793843 KK Annotated Anodyne O=C1NCc2cc(Br)cc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cc(Br)cc(n2)-c2nc(co2)-c2nc1co2 ZINC000049793845 KK Annotated Anodyne CC1CCC(CN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000049793866 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCC1CCCC1 ZINC000049793867 KK Annotated Anodyne NC[C@H](Cc1ccccc1)NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccccc1)NCCC1CCCCC1 ZINC000049793868 KK Annotated Anodyne S=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC23CC4CC(CC(C4)C2)C3)C1=S ZINC000049793869 KK Annotated Anodyne O=C(NCc1cc(Cl)cc(Cl)c1)N(c1ccc(Br)cc1)C1CCN(C2CCCC2)CC1 ZINC000049793883 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccc(NS(C)(=O)=O)cc3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049793886 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3ccc(NS(C)(=O)=O)cc3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049793887 KK Annotated Mild N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC23CC4CC(CC(C4)C2)C3)C1=N ZINC000049793890 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000049793891 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCc2ccc(-c3ccccc3)cc2)cc1 ZINC000049793905 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCc2ccc(-c3ccccc3)cc2)cc1 ZINC000049793906 KK Annotated Anodyne c1ccc(C[C@H]2CNCCN2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2CCN(CC3(c4ccccc4)CC3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000049793907 KK Annotated Anodyne c1ccc(C[C@@H](CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)N2CCN(CC3(c4ccccc4)CC3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000049793908 KK Annotated Anodyne CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cc(C(=O)O)ccc3o1)C[C@H]2c1ccc(C#N)cc1 ZINC000049793914 KK Annotated Mild N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC23CC4CC(CC(C4)C2)C3)C1=N ZINC000049793970 KK Annotated Anodyne C[n+]1ccc(CCC(=O)OCCCC2=CNc3ccccc3N=CC(CCCOC(=O)CCc3cc[n+](C)cc3)=CNc3ccccc3N=C2)cc1 ZINC000049794022 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000049794042 KK Annotated Anodyne CC(CCP(c1ccccc1)c1ccccc1)(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1 ZINC000049799657 KK Annotated Reactive FC(F)(F)c1ccc(P(CCP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1 ZINC000049799665 KK Annotated Reactive CCc1c(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(=O)C5(CC)CC)c(CC)c4CC)[C@@]1(CC)C3=CCC(C(=O)OC)=C1C(=O)OC ZINC000049799753 KK Annotated Bother C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)OC ZINC000049799790 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)OC ZINC000049799791 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)OC ZINC000049799792 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)OC ZINC000049799793 KK Annotated Mild CCc1c(CC)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(=O)C5(CC)CC)c(CC)c4CC)[C@@]1(CC)C3=CCC(C#N)(C#N)C1(C#N)C#N ZINC000049799813 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049802052 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049802053 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049802117 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049802118 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049802119 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049802120 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049802121 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049802122 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049802123 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N(C)CC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049802124 KK Annotated Mild CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)C[C@@H]3CN(C(=O)c4c(C)cc(C#N)nc4C)C[C@@H]3C1)CC2 ZINC000049802144 KK Annotated Mild Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccnc5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802148 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCN4CCN(Cc5cccs5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000049802149 KK Annotated Anodyne Cc1noc(C)c1C1=CC(=O)N2C[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1 ZINC000049802159 KK Annotated Mild Cc1noc(C)c1C1=CC(=O)N2C[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@H]2C1 ZINC000049802160 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1cccc(Cl)c1)C2=O ZINC000049802221 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CC(C)([C@H](C)I)C2 ZINC000049802238 KK Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CC(C)([C@@H](C)I)C2 ZINC000049802239 KK Annotated Reactive CO[C@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C(F)(F)F)cc(=O)n2C)c1cncn1C ZINC000049802240 KK Annotated Anodyne CO[C@@](c1ccc(Cl)cc1)(c1ccc2c(c1)c(-c1ccccc1C(F)(F)F)cc(=O)n2C)c1cncn1C ZINC000049802241 KK Annotated Anodyne CCCOc1cccc(C2(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncccn3)CC2)c1 ZINC000049802250 KK Annotated Anodyne CC1(C)C[C@H](NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049802255 KK Annotated Anodyne CCCC[C@H]1CN(C[C@@H]2CCCCO2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 ZINC000049802272 KK Annotated Anodyne CCCC[C@H]1CN(C[C@H]2CCCCO2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ccnc3C)CC1)CC2 ZINC000049802273 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOCCO[PH]1(O)CO[C@@H](Cn2c(N)ncnc2=O)CO1 ZINC000049802331 KK Annotated Mild Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@@H](CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000049802379 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@H](CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000049802380 KK Annotated Anodyne Cc1cc(Cc2cccc([C@@H](Cc3cccc(CC(C)(C)C(C)C)c3)C[C@@H](C)C(C)(C)C)c2)ccc1C(C)C ZINC000049802392 KK Annotated Anodyne Cc1cc(Cc2cccc([C@H](Cc3cccc(CC(C)(C)C(C)C)c3)C[C@@H](C)C(C)(C)C)c2)ccc1C(C)C ZINC000049802393 KK Annotated Anodyne Cc1cc(Cc2cccc([C@@H](Cc3cccc(CC(C)(C)C(C)C)c3)C[C@H](C)C(C)(C)C)c2)ccc1C(C)C ZINC000049802394 KK Annotated Anodyne Cc1cc(Cc2cccc([C@H](Cc3cccc(CC(C)(C)C(C)C)c3)C[C@H](C)C(C)(C)C)c2)ccc1C(C)C ZINC000049802395 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@]12C[C@@H]3[C@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C(=O)[C@](CC=C(C)C)(C1=O)C3(C)C)C2=O)C(=C)C ZINC000049802436 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@@H](C[C@@]12C[C@@H]3[C@H](C=C(C)C)[C@@](C(=O)c4ccc(O)c(O)c4)(C(=O)[C@](CC=C(C)C)(C1=O)C3(C)C)C2=O)C(=C)C ZINC000049802437 KK Annotated Mild CSc1ccc(C2=C(N3CCOCC3)CSC(c3nc4ccccc4c(=O)n3-c3ccc(C)cc3)=C2)cc1 ZINC000049802474 KK Annotated Anodyne O=C1CCN(c2ccccc2)C[C@]12[C@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049802477 KK Annotated Anodyne O=C1CCN(c2ccccc2)C[C@]12[C@@H](c1ccccc1)[C@@H](c1ccccc1)N[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000049802478 KK Annotated Anodyne N#Cc1c(-c2cccc(NC(=O)CCN)c2)cc(-c2ccc(Cl)cc2O)nc1NC(=O)c1cccs1 ZINC000049802509 KK Annotated Mild COc1ccc2cc3[n+](cc2c1OCCCSc1ccc2ccccc2c1)CCc1cc2c(cc1-3)OCO2 ZINC000049802513 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCC2CCCCC2)cc1 ZINC000049802524 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCC2CCCCC2)cc1 ZINC000049802525 KK Annotated Anodyne Cc1c(Br)cc2c(-c3ccccc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc2c1Br ZINC000049802544 KK Annotated Bother Brc1cccc(CCCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802592 KK Annotated Anodyne Brc1cccc(CCCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)c1 ZINC000049802593 KK Annotated Anodyne c1ccc(CCN2CCN([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000049802594 KK Annotated Anodyne Clc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802595 KK Annotated Anodyne Clc1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1Cl ZINC000049802596 KK Annotated Anodyne COCCC(CCOC)c1cc2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)(C)C5)cc4C(CCOC)CCOC)C(C)(C)C3 ZINC000049802598 KK Annotated Bother O=c1c2c(-c3ccc(Cl)cc3)c3c(nc2nc2sc4nc5ccccc5nc4n12)/C(=C\c1ccc(Cl)cc1)CCC3 ZINC000049802601 KK Annotated Bother COc1ccc(/C=C2/CCCc3c2nc2nc4sc5nc6ccccc6nc5n4c(=O)c2c3-c2ccc(OC)cc2)cc1 ZINC000049802602 KK Annotated Bother C[C@@H](O[C@H]1CN2C(=O)C=C(c3cnn(C)c3)C[C@@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049802612 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)C=C(c3cnn(C)c3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049802613 KK Annotated Mild Clc1ccc(OCc2nnc3n2N=C(c2cc4ccccc4o2)/C(=C/c2cn(-c4ccccc4)nc2-c2cc4ccccc4o2)S3)c(Cl)c1 ZINC000049802653 KK Annotated Anodyne COc1ccc(NC(=O)c2cc(-c3sc(NC(=O)C(C)(C)C)nc3C)n(-c3ccc(Br)cc3)n2)cc1 ZINC000049802654 KK Annotated Anodyne CCCC[PH](CCCC)(CCCC)Cc1ccc(/C=C/[C@H](Cc2ccc3ccccc3c2)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1 ZINC000049802692 KK Annotated Mild C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)(C)OC)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000049802727 KK Annotated Mild in-vitro biogenic O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1 ZINC000049802759 KK Annotated Anodyne O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1 ZINC000049802760 KK Annotated Anodyne NS(=O)(=O)C(F)(F)c1cc(-c2ccc(CSCc3ccc(C(F)(F)S(=O)(=O)O)c(Br)c3)cc2)ccc1Br ZINC000049802780 KK Annotated Anodyne CC1=C(C(=O)NCc2cc(Br)cc(Br)c2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 ZINC000049802788 KK Annotated Reactive CS(=O)(=O)c1ccc(-c2cc(-c3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)sc2N2CCOCC2)cc1 ZINC000049802793 KK Annotated Anodyne C=C(Br)C(=O)Nc1cccc(/C=C2\CCC/C(=C\c3cccc(NC(=O)C(=C)Br)c3)C2=O)c1 ZINC000049802794 KK Annotated Mild CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1ccc(C(C)(C)C)c(OC[C@@H](O)[C@H](O)CO)c1C(C)(C)C ZINC000049802888 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=N ZINC000049802961 KK Annotated Anodyne CC[C@@H](C)CN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000049802962 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCCCC2CCCCC2)C1=N ZINC000049802963 KK Annotated Anodyne CC1(C)C[C@@H](NC(=O)c2cn[nH]c2)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049802970 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCCC2CCCCC2)cc1 ZINC000049803054 KK Annotated Anodyne c1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3CCNC[C@@H]3Cc3ccccc3)CCN2CCCCC2CCCCC2)cc1 ZINC000049803055 KK Annotated Anodyne COc1cccc(C2(C(=O)NS(=O)(=O)Oc3c(C(C)C)cccc3C(C)C)CCN(c3ncc(Br)cn3)CC2)c1 ZINC000049803080 KK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C\c3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000049803103 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)c1n[nH]c2c1C(=O)N(c1ccsc1C(=O)OC)C2=O ZINC000049803139 KK Annotated Mild Cn1c2ccccc2c2cc(CN(Cc3ccccn3)Cc3cc4c5ccccc5n(C)c4cc3O)c(O)cc21 ZINC000049803340 KK Annotated Clean N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(C(=O)Cc2ccccc2)CC1 ZINC000049803361 KK Annotated Mild COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C\c3ccccc3Cl)n2)c(OC)c1 ZINC000049803418 KK Annotated Reactive NS(=O)(=O)c1cc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)ccc1Br ZINC000049803450 KK Annotated Anodyne Cc1cccc(C)c1CN[C@@]1(CCC(C)(C)C)C(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C(O)c2ccccc21 ZINC000049803472 KK Annotated Mild O=C(NN1C(=O)CS[C@H]1c1cccs1)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000049803543 KK Annotated Anodyne O=C(NN1C(=O)CS[C@@H]1c1cccs1)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000049803544 KK Annotated Anodyne NS(=O)(=O)c1cc(-c2ccc(CSCc3ccc(C(F)(F)S(=O)(=O)O)c(Br)c3)cc2)ccc1Br ZINC000049803551 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6coc(CO)cc6=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049803554 KK Annotated Anodyne O=[P@](O)(OCCBr)OCCCCCCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCCBr ZINC000049803629 KK Annotated Reactive Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)NCCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000049803669 KK Annotated Anodyne NS(=O)(=O)c1cc(-c2ccc(CSCc3ccc(CS(=O)(=O)O)c(Br)c3)cc2)ccc1Br ZINC000049803671 KK Annotated Anodyne COc1ccc(/C(C)=N\NC(=O)Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000049803676 KK Annotated Reactive CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=S)Nc6ccccc6)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049803702 KK Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(CC(=O)c2ccccc2)CC1 ZINC000049803758 KK Annotated Mild C/C(=N/NC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)cc1 ZINC000049803764 KK Annotated Reactive C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1 ZINC000049803793 KK Annotated Anodyne in-vitro Cn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4C)ccc21 ZINC000049803822 KK Annotated Clean CCCCCCCCCCCCOc1cccc(OC[C@@H](CO[P@@](=O)(O)Oc2cccc(C[n+]3csc(C)c3)c2)OCC)c1C ZINC000049803959 KK Annotated Mild CCCCCCCCCCCCOc1cccc(OC[C@H](CO[P@@](=O)(O)Oc2cccc(C[n+]3csc(C)c3)c2)OCC)c1C ZINC000049803960 KK Annotated Mild CCCCCCCCCCCCCCOc1cc(Br)cc(O[P@@](=O)(O)Oc2cccc(C[n+]3csc(C)c3)c2)c1OC ZINC000049803970 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](CO[P@@](=O)(O)Oc1cccc(C[n+]2csc(C)c2)c1)OC ZINC000049803972 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H](CO[P@@](=O)(O)Oc1cccc(C[n+]2csc(C)c2)c1)OC ZINC000049803973 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049803979 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049803980 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049803981 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049803982 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049803999 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049804000 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049804001 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049804002 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049804004 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049804005 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049804006 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049804007 KK Annotated Mild COC1CCN(C(=O)c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cc2)CC1 ZINC000049804030 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049804065 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049804066 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049804067 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049804068 KK Annotated Mild CC(=O)Oc1ccccc1CC[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@@H]4[C@]3(C)CC[C@H]12 ZINC000049807252 KK Annotated Anodyne CCSc1scc(CC)c1[C@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000049807375 KK Annotated Mild CCSc1scc(CC)c1[C@@H]1C(C(=O)Nc2ccc(Br)cn2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000049807377 KK Annotated Mild Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)O2 ZINC000049807430 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(CN1CCC[C@H]1COc1ccc(/C=C3\SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)O2 ZINC000049807431 KK Annotated Anodyne C=C1[C@H]2C[C@@H]3N(CC[C@@]34c3cccc(C[C@@H]5C6=Nc7ccccc7[C@@]67CCN6C[C@@H](CC)[C@@H]5C[C@H]67)c3N[C@@H]14)C[C@H]2CC ZINC000049807456 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NCC ZINC000049807457 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NCC ZINC000049807459 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NCC ZINC000049807460 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NCC ZINC000049807461 KK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6coc(CO)cc6=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049807500 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(CC/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049807538 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(CC/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049807540 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049807549 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049807551 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049807553 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049807555 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CCC(=O)OC)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049807560 KK Annotated Mild CCOc1ccccc1CC[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12 ZINC000049807579 KK Annotated Anodyne O=C1C=C(SC(=O)c2ccccc2)[C@@]2(C=CNC3=C2C2=NCCc4cn(C(=O)c5ccccc5)c(c42)C3=O)C=C1Br ZINC000049807602 KK Annotated Mild O=C(c1c(-c2ccc(Cl)cc2)c(-c2ccccc2)nn1-c1ccccc1)n1c(=S)[nH]c2ccccc21 ZINC000049807607 KK Annotated Anodyne Cc1cc(=O)oc2c([C@H](COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c(OC(C)C)ccc12 ZINC000049807620 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1ccc(-c3cc4ccccc4c4ccccc34)cc1)N=C[C@@H]1CCCN1C2=O ZINC000049807798 KK Annotated Bother CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](c4cc5c(cc4O)NC4=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]45[C@@H]76)C1)[C@@H]32 ZINC000049807824 KK Annotated Clean CC(C)=CCn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4CC=C(C)C)ccc21 ZINC000049807908 KK Annotated Clean Cc1c(-c2ccc(OS(=O)(=O)O)cc2)n(Cc2c(F)c(F)c(F)c(F)c2F)c2cc(OS(=O)(=O)O)cc(C(F)(F)F)c12 ZINC000049807982 KK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)Nc6ccccc6Cl)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049808121 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1ccccc1)[C@H](CN1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)C(C)(C)O2 ZINC000049808123 KK Annotated Anodyne N#Cc1c(-c2ccc(F)cc2)cc(-c2ccc(N3C(=O)c4ccccc4NC34CCCCC4)cc2)[nH]c1=O ZINC000049808189 KK Annotated Mild COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C\c3ccccc3[N+](=O)[O-])n2)c(OC)c1 ZINC000049808262 KK Annotated Reactive CCOc1c(C(C)=O)ccc2c1[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000049808290 KK Annotated Anodyne CC(C)CN(C)C(=O)c1ccc2c(CNCc3ccc(F)cc3)c(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 ZINC000049808304 KK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C\c3ccccc3Cl)n2)c(OC)c1 ZINC000049808358 KK Annotated Reactive CCCC[PH](CCCC)(CCCC)Cc1ccc(/C=C\[C@H](Cc2ccc3ccccc3c2)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1 ZINC000049808370 KK Annotated Mild Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@](C)(CN1CCC[C@H]1COc1ccc(C[C@H]3SC(=O)N(C(=O)C[C@H](O)C(=O)O)C3=O)cc1)O2 ZINC000049808408 KK Annotated Anodyne CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c4ccccc4[N+](=O)[O-])CC[C@]23C)C(=O)O1 ZINC000049808420 KK Annotated Anodyne CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@]23C)C(=O)O1 ZINC000049808421 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/c1ccco1 ZINC000049808433 KK Annotated Mild COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000049808435 KK Annotated Reactive Cc1cc(Br)c(Nc2nc(CN3CCOCC3)nc(N/N=C/c3cc(I)cc(C)c3O)n2)cc1Cl ZINC000049808492 KK Annotated Mild COc1ccc(N(Cc2c(OC(C)C)ccc3c(C)cc(=O)oc23)C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 ZINC000049808596 KK Annotated Anodyne COc1ccc(/C(C)=N\NC(=O)Nc2nc(-c3ccc(F)cc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000049808608 KK Annotated Reactive C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000049808625 KK Annotated Reactive CC[C@@H](O)c1c(CN2CCN(c3cc(C)ccc3C)CC2)nnn1[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 ZINC000049813647 KK Annotated Anodyne CO[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H](OC[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)O[C@@H]1C ZINC000049813847 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049813849 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049813851 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049813853 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049813855 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049814014 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049814016 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049814018 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049814021 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000049814038 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)CNCCN(CCN)CCN ZINC000049816856 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817205 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817207 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817209 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817212 KK Annotated Mild COc1ccccc1CC[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@@H]4[C@]3(C)CC[C@H]12 ZINC000049817260 KK Annotated Anodyne CCc1ccccc1[C@H](C)C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@H]4[C@]3(C)CC[C@H]12 ZINC000049817296 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049817309 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049817311 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817313 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817316 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049817338 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049817339 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817341 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049817344 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]12 ZINC000049817351 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049817531 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049817535 KK Annotated Anodyne O=[N+]([O-])c1ccc(COP(=O)(N(CCBr)CCBr)N(CCBr)CCBr)s1 ZINC000049820191 KK Annotated Reactive CCCCCCCCSc1ncc(Cc2cn(CC(=O)N[C@@H](CC(=O)OCc3ccccc3)C(=O)OCc3ccccc3)cn2)[nH]1 ZINC000049820198 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820227 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820229 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820232 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820234 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820250 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820252 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820254 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820256 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820328 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820330 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820333 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820334 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000049820347 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1C3=O ZINC000049820349 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1C3=O ZINC000049820351 KK Annotated Mild C=C(C)[C@@H]1[C@H]2C3=C(C[C@H]4CC[C@H]5[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]5(C)[C@@]34C)c3cc4c(c(c32)[C@@H]1O)[C@@H](O)[C@@H]1C4=CC(C)(C)OC1(C)C ZINC000049820390 KK Annotated Mild C=C(C)[C@H]1[C@@H](O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820392 KK Annotated Mild C=C(C)[C@@H]1[C@H]2C3=C(C[C@@H]4CC[C@H]5[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]5(C)[C@@]34C)c3cc4c(c(c32)[C@@H]1O)[C@@H](O)[C@@H]1C4=CC(C)(C)OC1(C)C ZINC000049820395 KK Annotated Mild C=C(C)[C@H]1[C@@H](O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820398 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC1CCCC1 ZINC000049820405 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CCc1ccc(Oc2ccccc2)cc1 ZINC000049820410 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820435 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820436 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)SCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820442 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)SCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820444 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)SCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820446 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)SCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820448 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCN(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820483 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCN(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820485 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCN(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820487 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCN(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820489 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNCCN(CCN)CCN ZINC000049820504 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820515 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820516 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820518 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049820519 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820716 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049820721 KK Annotated Mild C/C=C/C(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)/C=C/C)[C@@H](OC(=O)/C=C/C)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049823024 KK Annotated Anodyne CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](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)OC(C)=O ZINC000049823042 KK Annotated Anodyne CO[C@@]1(C)CO[C@@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@@]4(C)CC=C6C[C@@H](c7ccc8c(c7)OCO8)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000049823065 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)C(O)(O)COCCOCC(O)(O)C#CCCCCCCC[C@@H]1C[C@H](CC(C)=O)C(=O)O1 ZINC000049823075 KK Annotated Mild CCCCCCCCN(CCCCCCCC)C(O)(O)COCCOCC(O)(O)C#CCCCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1 ZINC000049823076 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CCC6=C(C(=O)OCCCCNC(=N)N)[C@H](C)N=C(N4)N65)[C@H](C)N=C(N1)N32 ZINC000049823101 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CCC6=C(C(=O)OCCCCNC(=N)N)[C@H](C)N=C(N4)N65)[C@@H](C)N=C(N1)N32 ZINC000049823102 KK Annotated Mild CCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@@H](C/C=C(\C)CCC=C(C)C)OC(C)=O ZINC000049823104 KK Annotated Reactive CC(C)COc1ccc(CN(CC(=O)NCc2ccccc2Cl)S(=O)(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Cl ZINC000049823109 KK Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000049823130 KK Annotated Anodyne CC(C)C(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@H]([C@@H]3C(C)C)[C@H](O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000049823133 KK Annotated Mild CC(C)C(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@H]([C@@H]3C(C)C)[C@@H](O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000049823134 KK Annotated Mild CC(=O)CC[C@@H]1[C@](C)(CC[C@@]2(O)[C@H](C)CC[C@@H]3OC(C)(C)CCC[C@@]32C)CCC[C@@]1(C)C(=O)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000049823137 KK Annotated Anodyne CC1(C)[C@@H](OC(=O)c2ccccc2C(=O)O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4C(=O)O)C[C@H]2[C@]1(C)CC3 ZINC000049823154 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000049823192 KK Annotated Reactive C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049823197 KK Annotated Mild COc1ccc(CCN(C[C@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc3ccccc3c2)C(=O)OC(C)(C)C)cc1OC ZINC000049823224 KK Annotated Anodyne COc1ccc(CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc3ccccc3c2)C(=O)OC(C)(C)C)cc1OC ZINC000049823225 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(C)(C)O2 ZINC000049823234 KK Annotated Bother C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O3)CC[C@@H]2C)O1 ZINC000049823256 KK Annotated Mild CCCC(=O)c1c(OC(C)=O)c(Cc2c(OC)c(C)c(OC(C)=O)c(C(C)=O)c2OC(C)=O)c(OC(C)=O)c2c1OC(C)(C)[C@@H](OC(C)=O)C2 ZINC000049823263 KK Annotated Anodyne CCCC(=O)c1c(OC(C)=O)c(Cc2c(OC)c(C)c(OC(C)=O)c(C(C)=O)c2OC(C)=O)c(OC(C)=O)c2c1OC(C)(C)[C@H](OC(C)=O)C2 ZINC000049823264 KK Annotated Anodyne N#Cc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc(NC(=O)c3ccc(NC(=O)CNC(=N)N)c(-c4ccc5ccccc5c4)c3)cc2)cc1 ZINC000049823275 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000049823283 KK Annotated Anodyne C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049823284 KK Annotated Mild CCCCCC[C@H](C)CCCCCC[C@H](OS(=O)(=O)O)[C@@H](CCCCCCCCCCCCC(=O)N1CCCC[C@@H]1C(=O)OC)OS(=O)(=O)O ZINC000049823285 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(CCC[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049823310 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(CCC[C@@H](C)C(=O)NC)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049823312 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCC(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049823313 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCC(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049823314 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCC(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049823315 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCC(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049823316 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)C(=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@H]1C3=O ZINC000049823317 KK Annotated Mild Cc1ccc(C)c(Nc2nc(N/N=C/c3cc(Br)c(O)c(Br)c3C)nc(N3CCOCC3)n2)c1 ZINC000049832315 KK Annotated Mild COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCN(C)C)nc(Nc5ccccc5)n4)cc3)c2c1 ZINC000049832503 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(Nc4nc(NCCO)nc(Nc5ccccc5)n4)cc3)c2c1 ZINC000049832505 KK Annotated Clean COc1ccc([C@H]2NOc3c2sc2nc4nc5c(c(-c6ccc(Cl)cc6)c4c(=O)n32)CCC/C5=C/c2ccc(Cl)cc2)cc1 ZINC000049832766 KK Annotated Anodyne COc1ccc([C@@H]2NOc3c2sc2nc4nc5c(c(-c6ccc(Cl)cc6)c4c(=O)n32)CCC/C5=C/c2ccc(Cl)cc2)cc1 ZINC000049832768 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCC/C=C\CCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000049832799 KK Annotated Mild CCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CC)[C@@H](OC(=O)CC)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049832838 KK Annotated Anodyne C/C=C(\C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)C(C)C ZINC000049832864 KK Annotated Anodyne CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN6CCC(c7n[nH]c(-c8ccccn8)n7)CC6)cc5)nc4ccn23)CC1 ZINC000049832887 KK Annotated Anodyne COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc3ccccc3c1)[C@@H](O)[C@H](CC(=O)O)N2C(=O)c1ccc2ccccc2c1 ZINC000049832903 KK Annotated Anodyne C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049832929 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049832930 KK Annotated Reactive C=C(c1ccc(OCCOc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049832931 KK Annotated Reactive O=C1C=C[C@H](OC(=O)/C=C/c2ccccc2)[C@H]([C@H](OC(=O)/C=C/c2ccccc2)[C@H](OC(=O)/C=C/c2ccccc2)c2ccccc2)O1 ZINC000049832934 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/CCCCC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000049832953 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](C(=O)c1ccc(OC)c(c1)-c1cc(ccc1OC)C[C@H]3N(C)CC2)N(C)CC4 ZINC000049832955 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCC[C@H](O)C#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049832977 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCC[C@@H](O)C#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049832978 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCC[C@H](O)C#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049832979 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC/C=C\CCC[C@@H](O)C#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049832980 KK Annotated Mild CCCCCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000049832984 KK Annotated Reactive CCCCCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000049832985 KK Annotated Reactive CCCCCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000049832986 KK Annotated Reactive CCCCCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O ZINC000049832987 KK Annotated Reactive C=C1Cc2ccc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000049832989 KK Annotated Mild COc1cc2c(cc1OCCCCCOc1cc3c(cc1OC)C(=O)N1CC(F)(F)C[C@H]1C=N3)N=C[C@@H]1CC(F)(F)CN1C2=O ZINC000049832997 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@H](CC=C(C)C)O[C@@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000049833019 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@@H](CC=C(C)C)O[C@@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000049833020 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]23C)C1(C)C ZINC000049833021 KK Annotated Anodyne CCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](CNC(=O)[C@@H]2CCCN2)[C@H]1O ZINC000049833033 KK Annotated Mild CCCCCCCCCCCCCCO[C@@H]1[C@@H](OCCCCCCCCCCCCCC)[C@@H](OC)O[C@H](CNC(=O)[C@H]2CCCN2)[C@H]1O ZINC000049833034 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5-c5ccc(C)c(C)c5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049833065 KK Annotated Mild CC[C@H]1CCCN(CCc2c3n(c4ccccc24)[C@@](COC(C)=O)(c2[nH]c4ccccc4c2CCN2CCC[C@@H](CC)C2)CC[C@H]3COC(C)=O)C1 ZINC000049833066 KK Annotated Anodyne CC[C@H]1CCCN(CCc2c([C@@]3(COC(C)=O)CC[C@@H](COC(C)=O)c4c(CCN5CCC[C@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000049833067 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)C=Cc2cc(O)ccc2O1)CO ZINC000049833077 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)ccc2O1)CO ZINC000049833078 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)CCCC[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049833087 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833111 KK Annotated Mild CC1CCN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)O)cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1 ZINC000049833121 KK Annotated Anodyne C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/C(=O)C#C ZINC000049833127 KK Annotated Mild C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/C(=O)C#C ZINC000049833128 KK Annotated Mild C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cccc23)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000049833144 KK Annotated Reactive C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000049833145 KK Annotated Reactive C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@H]5COC6(CCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000049833146 KK Annotated Reactive CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@H]3[C@](C)(CC/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)C1=C2 ZINC000049833155 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1Cl)SS/C(=N/c1ccccc1Cl)OCCN1C(=O)c2ccccc2C1=O ZINC000049833156 KK Annotated Reactive O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(F)cc1)SS/C(=N/c1ccc(F)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000049833173 KK Annotated Reactive CN(C)c1ccc(/C=c2\sc3nc4nc5c(c(-c6ccc(Cl)cc6)c4c(=O)n3c2=O)CCC/C5=C/c2ccc(Cl)cc2)cc1 ZINC000049833186 KK Annotated Clean C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)CCC(=O)OC)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049833194 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC[C@H](O)/C=C/CCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833206 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC[C@@H](O)/C=C/CCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833207 KK Annotated Mild C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC/C(=N\N(C(=S)Nc6ccccc6)c6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000049833222 KK Annotated Mild CCCCC[C@@H](C)CCCCCCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCCCCCC[C@@H](C)[C@@H](CC)CCCC ZINC000049833233 KK Annotated Anodyne CCCCC[C@H](C)CCCCCCCC[C@@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCCCCCC[C@@H](C)[C@@H](CC)CCCC ZINC000049833234 KK Annotated Anodyne CCCCC[C@@H](C)CCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCCCCCC[C@@H](C)[C@@H](CC)CCCC ZINC000049833235 KK Annotated Anodyne CCCCC[C@H](C)CCCCCCCC[C@H](CC)COC(=O)c1ccccc1C(=O)OC[C@@H](CC)CCCCCCCC[C@@H](C)[C@@H](CC)CCCC ZINC000049833236 KK Annotated Anodyne O=[P@@]1(C(c2ccc(Cl)cc2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049833262 KK Annotated Anodyne O=[P@@]1(C(c2ccc(Cl)cc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049833263 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@@H]2[C@H](OC(C)=O)c3c(cc(OC)c4c(=O)c5cc6ccccc6cc5n(C)c34)OC2(C)C)cc1OC ZINC000049833266 KK Annotated Bother 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(CCNC(=O)CCCCCNC(=O)CCc3ccccc3)[C@H]1[C@H]2C ZINC000049833278 KK Annotated Mild Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/CCS(=O)(=O)O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/CCS(=O)(=O)O)c2c1O ZINC000049833283 KK Annotated Mild COc1ccc(OOc2ccc(OC)c3cc4c(cc23)[C@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O ZINC000049833311 KK Annotated Reactive CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1cc(OC)c(cc1OC)C[N+]1=CN(CC1)Cc1ccc(cc1)C3=O ZINC000049833328 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000049833330 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)C[C@@](C)(O)CC(=O)OC)C(C)(C)[C@@H]1CC3)[C@H](C)C(=O)O ZINC000049833331 KK Annotated Mild CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@H]3[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O ZINC000049833336 KK Annotated Anodyne CC(C)CC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049833339 KK Annotated Anodyne C=C(C)[C@H](OC(=O)CC)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)CC)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)CC ZINC000049833346 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)cc1)SS/C(=N/c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000049833359 KK Annotated Reactive CN1C/C(=C\c2ccc(-c3cccs3)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(-c3cccs3)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21 ZINC000049833373 KK Annotated Mild O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)CCN3CCOCC3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 ZINC000049833383 KK Annotated Anodyne CCCCCC(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@H]([C@@H]3C(C)C)[C@H](O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000049833386 KK Annotated Mild CCCCCC(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@H]([C@@H]3C(C)C)[C@@H](O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2CC(C)C ZINC000049833387 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000049833396 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCCC(=O)CCCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833431 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCCC(=O)CCCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049833432 KK Annotated Mild CN(C)/C=N/S(=O)(=O)c1ccc(-n2cc(/C=N\N=c3/scc(-c4ccc(Br)cc4)n3-c3ccccc3)c(-c3ccccc3)n2)cc1 ZINC000049833450 KK Annotated Mild Cc1c(C(c2ccccc2)c2c(C)n(Cc3cn(Cc4ccccc4)nn3)c3ccccc23)c2ccccc2n1Cc1cn(Cc2ccccc2)nn1 ZINC000049833451 KK Annotated Anodyne COc1cc([C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c2ccccc12 ZINC000049833452 KK Annotated Clean C/C(=C\[C@H]1C[C@@H]([C@@H]2CC[C@]34C[C@]23[C@H](O)C[C@@H]2[C@@]3(C)CC=C5C[C@@H](c6ccccc6)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]24C)C(=O)O1)CO ZINC000049833467 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](COC(=O)c2ccccc2)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@@H]12)C3(C)C ZINC000049833470 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049833474 KK Annotated Mild COc1ccc(C(c2cn(Cc3cn(Cc4ccccc4)nn3)c3ccccc23)c2cn(Cc3cn(Cc4ccccc4)nn3)c3ccccc23)cc1 ZINC000049833480 KK Annotated Anodyne CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@H]3[C@]5(C)C[C@@H](/C=C(\C)C(=O)O)O[C@@]5(O)CC[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O ZINC000049833482 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCC/C=C/[C@H](O)CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833489 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCC/C=C/[C@@H](O)CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833490 KK Annotated Mild CCOc1cc(C)cc(C)c1C(C)(C)CC(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)N3CCOCC3)ccc1[C@]21Oc2ccccc2C1=O ZINC000049833509 KK Annotated Anodyne CCOc1cc(C)cc(C)c1C(C)(C)CC(=O)Nc1ccc2c(c1)Oc1cc(NC(=O)N3CCOCC3)ccc1[C@@]21Oc2ccccc2C1=O ZINC000049833510 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@]1(C)CCC[C@@H]2C1=CC[C@@H](C)[C@@]2(C)Cc1cc(OS(=O)(=O)O)ccc1OS(=O)(=O)O ZINC000049833512 KK Annotated Anodyne COc1ccc([C@@H]2CC3=CC[C@@]4(C)[C@@H](C[C@@H](O)[C@]5(C)[C@@H]4C[C@@H](O)[C@]46C[C@@]45CC[C@H]6[C@@H]4C[C@H](/C=C(\C)CO)OC4=O)[C@@]3(C)CO2)cc1 ZINC000049833513 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](OC(C)=O)C[C@H]2C(C)C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@@H]4OC(C)=O ZINC000049833522 KK Annotated Anodyne OCCN1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3n2)CC1 ZINC000049833531 KK Annotated Anodyne COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1 ZINC000049833552 KK Annotated Anodyne CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(CCCN(C)CCCN1C(=O)c3cccc4c(NCCCN(C)C)ccc(c34)C1=O)C2=O ZINC000049833561 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833590 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049833591 KK Annotated Mild O=C1[C@@H](CCn2cc(CO[C@@H]3Cc4c(O)cc(O)cc4O[C@@H]3c3ccc(O)c(O)c3)nn2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000049836548 KK Annotated Clean CCCCCC(C)(C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1O[C@@H](OC)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049836639 KK Annotated Anodyne CCCCCC(C)(C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1O[C@@H](OC)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049836642 KK Annotated Anodyne C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000049841042 KK Annotated Mild C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000049841043 KK Annotated Mild C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000049841044 KK Annotated Mild C#CC(=O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000049841045 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@H]4CC(=O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000049841053 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)[C@H](c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)S1)c1ccc(Cl)cc1 ZINC000049841075 KK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cn(-c3ccc(S(=O)(=O)/N=C/N(C)C)cc3)nc2-c2ccccc2)S1)c1ccc(Cl)cc1 ZINC000049841076 KK Annotated Mild C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cccc23)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000049841079 KK Annotated Reactive C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000049841080 KK Annotated Reactive C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@H]5COC6(CCCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000049841081 KK Annotated Reactive O=[N+]([O-])OCCCOc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000049841107 KK Annotated Bother Oc1ccc(/C=C/[C@H](C[C@@H](O)CCc2ccc(O)cc2)[C@H]2[C@@H](O)C[C@H](CCc3ccc(O)cc3)O[C@@H]2c2ccc(O)cc2)cc1 ZINC000049841116 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000049841117 KK Annotated Mild in-vitro biogenic CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4[C@@H](OC(=O)CC(C)(C)C(=O)O)C[C@]23C)O1 ZINC000049841124 KK Annotated Anodyne C/C=C/C([P@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1)[P@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049841146 KK Annotated Anodyne C/C=C/C([P@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1)[P@@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049841147 KK Annotated Anodyne CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@H]2OC)C1(C)C ZINC000049841153 KK Annotated Anodyne COc1cc2c(cc1OCCCCCSc1nnc3n1S(=O)(=O)c1ccccc1N3c1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000049841157 KK Annotated Anodyne CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@H]3[C@]5(C)C[C@@H]([C@H](O)[C@H](C)C(=O)O)O[C@@]5(O)CC[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O ZINC000049841185 KK Annotated Anodyne COC(=O)[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000049841186 KK Annotated Anodyne COC(=O)[C@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000049841187 KK Annotated Anodyne COC(=O)[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000049841188 KK Annotated Anodyne COC(=O)[C@@H](C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H](c1ccccc1)c1cc2cc(Br)ccc2nc1OC ZINC000049841189 KK Annotated Anodyne CCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)CC)[C@@H](OC(=O)CC)C(C)(C)O)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049841206 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)[C@@H](CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)[C@@H]12)C(C)(C)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000049841231 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1F)SS/C(=N/c1ccccc1F)OCCN1C(=O)c2ccccc2C1=O ZINC000049841243 KK Annotated Reactive COc1cc2c(c(O)c1[C@@H](CC(C)C)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000049841248 KK Annotated Clean COc1cc2c(c(O)c1[C@H](CC(C)C)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000049841249 KK Annotated Clean C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000049841265 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5-c5ccccc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049841288 KK Annotated Mild CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(C)c(=O)nc-6n5-c5ccc(Br)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049841293 KK Annotated Mild O=[P@@]1(C(c2ccccc2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049841306 KK Annotated Anodyne O=[P@@]1(C(c2ccccc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049841307 KK Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)C3=C2OC(C)(C)[C@H]2COc4ccc(Br)cc4[C@@H]32)[C@H]2c3cc(Br)ccc3OC[C@H]21 ZINC000049841311 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1cccc(C(F)(F)F)c1)C(C)(C)O2 ZINC000049841314 KK Annotated Bother C#C/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049841325 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)CCCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049841326 KK Annotated Mild Cc1ccc(C([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000049841350 KK Annotated Anodyne Cc1ccc(C([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000049841351 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(C)(C)O2 ZINC000049841360 KK Annotated Bother CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccc(Br)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000049841363 KK Annotated Clean CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2ccc(Br)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000049841364 KK Annotated Clean COCCOCOc1ccc2c(c1)[C@H](NC(=O)c1ccc(-c3ccccc3)cc1)[C@@H](O)[C@H](CC(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 ZINC000049841367 KK Annotated Anodyne Nc1ccc(-c2c3ccc(n3)c(-c3ccc(N)cc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000049841368 KK Annotated Bother CC1(C)OC2=C(C(=O)C(=O)C3=C2OC(C)(C)[C@H]2COc4ccc(Br)cc4[C@@H]32)[C@@H]2c3cc(Br)ccc3OC[C@@H]21 ZINC000049841370 KK Annotated Mild NC(=O)CN(CCc1ccc(-c2ccccc2)cc1)C(=O)CN(C(=O)CNCCc1ccc(O)cc1)c1ccc(-c2ccccc2)cc1 ZINC000049841371 KK Annotated Anodyne c1cc2nc(c1)C[n+]1cn(c3ccccc31)Cc1cc3ccccc3nc1Oc1ccccc1Oc1nc3ccccc3cc1Cn1c[n+](c3ccccc31)C2 ZINC000049841372 KK Annotated Anodyne O=[P@@]1(C(/C=C/c2ccccc2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049841375 KK Annotated Anodyne O=[P@@]1(C(/C=C/c2ccccc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049841376 KK Annotated Anodyne Cc1c(-c2cccc(OCCCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000049841377 KK Annotated Anodyne COc1cc([C@@H](O)[C@H](COC(=O)/C=C/c2ccc(O)cc2)Oc2ccc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)ccc1O ZINC000049841378 KK Annotated Anodyne COc1cc([C@@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)cc2)Oc2ccc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)ccc1O ZINC000049841379 KK Annotated Anodyne COc1cc([C@H](O)[C@H](COC(=O)/C=C/c2ccc(O)cc2)Oc2ccc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)ccc1O ZINC000049841380 KK Annotated Anodyne COc1cc([C@H](O)[C@@H](COC(=O)/C=C/c2ccc(O)cc2)Oc2ccc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)ccc1O ZINC000049841381 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCC/C=C/[C@H](O)CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049841402 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCC/C=C/[C@@H](O)CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049841403 KK Annotated Mild COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(OCc3ccccc3)cc2)N(c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000049841413 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(OCc3ccccc3)cc2)N(c2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000049841414 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5OC(=O)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000049841416 KK Annotated Anodyne CCOCCCCOc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000049841425 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1cc([N+](=O)[O-])cc(c1O)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000049841426 KK Annotated Clean CC[C@H]1CCCN(CCc2c3n(c4ccccc24)[C@@](C(=O)OC)(c2[nH]c4ccccc4c2CCN2CCC[C@@H](CC)C2)CC[C@H]3C(=O)OC)C1 ZINC000049841428 KK Annotated Anodyne CC[C@H]1CCCN(CCc2c([C@@]3(C(=O)OC)CC[C@@H](C(=O)OC)c4c(CCN5CCC[C@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000049841429 KK Annotated Anodyne C[C@H]1C[C@H]2O[C@]3(CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@@]45C[C@]53C)[C@H](C)[C@@H]2N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000049841430 KK Annotated Anodyne CC1(C)OC2=C(C(=O)C3=C(C2=O)[C@H]2c4cc(Br)ccc4CO[C@H]2C(C)(C)O3)[C@H]2c3cc(Br)ccc3OC[C@H]21 ZINC000049841438 KK Annotated Mild C#CCCCCCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCCCC[C@@H](O)C#C ZINC000049841442 KK Annotated Mild CC1=C(Cc2cc(OS(=O)(=O)O)ccc2OS(=O)(=O)O)[C@]2(C)CCC[C@@](C)(CC[C@@]3(O)[C@H](C)CC[C@@H]4OC(C)(C)CCC[C@@]43C)[C@H]2CC1 ZINC000049841443 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000049841445 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000049841446 KK Annotated Mild CC(C)=CCc1c2c(cc3c4c([nH]c13)[C@@]1(C)[C@@H](CC[C@H]3[C@]5(C)C[C@@H]([C@@H](O)[C@H](C)C(=O)O)O[C@@]5(O)CC[C@@]31C)C4)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O ZINC000049841470 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@H](CC=C(C)C)O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000049841477 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)[C@@H](CC=C(C)C)O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000049841478 KK Annotated Mild COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)[C@@H]1[C@@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C[C@@H]21 ZINC000049841486 KK Annotated Mild in-vitro biogenic C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049841489 KK Annotated Mild N#CCCO[P@](=O)(OCCCCCCCCCCCBr)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000049841492 KK Annotated Reactive N#CCCO[P@@](=O)(OCCCCCCCCCCCBr)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F ZINC000049841493 KK Annotated Reactive C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)c4ccccc4)[C@@]4(C)C5=C(C)[C@H](c6ccoc6)C[C@@H]5OC(=O)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000049841495 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC[C@H](O)/C=C/CCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049841496 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC[C@@H](O)/C=C/CCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049841497 KK Annotated Mild C=CCN(c1ccc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C(=O)O)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000049841500 KK Annotated Mild CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(CO)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000049841503 KK Annotated Anodyne COc1cc(C[C@H](COC(C)=O)Oc2ccc(C[C@H]3[C@H](OC(C)=O)OC[C@@H]3Cc3ccc(OC(C)=O)c(OC)c3)cc2OC)ccc1OC(C)=O ZINC000049841506 KK Annotated Anodyne O/C(=N\c1ccc(C(F)(F)F)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(/C(O)=N/c3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC000049841514 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCC/C=C/C(=O)CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049841516 KK Annotated Mild CC(=O)Oc1cccc2c1[nH]c1c(C3=C[C@@]4(OC(C)=O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000049841534 KK Annotated Anodyne COCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)COC)[C@@H](OC(=O)COC)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049841535 KK Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)CNC(=O)c2csc(n2)[C@H](C(C)(C)O)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2 ZINC000049841548 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5-c5cccc(C)c5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049841552 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\C#CC(=O)OC ZINC000049841562 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C\C#CC(=O)OC ZINC000049841563 KK Annotated Mild Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4cccc(F)c4[nH]c3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12 ZINC000049841566 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2sc3nc4nc5c(c(-c6ccc(Cl)cc6)c4c(=O)n3c2C)CCC/C5=C/c2ccc(Cl)cc2)cc1 ZINC000049841568 KK Annotated Mild C=C(C)[C@H](OC(=O)COC)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)COC)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)COC ZINC000049841570 KK Annotated Mild CCN(CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cccc(I)c3nc12 ZINC000049841575 KK Annotated Clean CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C[C@@H](C)C[C@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049841584 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)CC[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000049841585 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H](/C=C(\C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049841616 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049841643 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1OC(=O)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049841644 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1O[C@@H](OC)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049841652 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)CC/C=C\[C@@H](C)[C@@H](O)[C@@H](C)/C=C\CC[C@@H]1O[C@@H](OC)[C@H](C)[C@@H](OCOC)[C@@H]1C ZINC000049841653 KK Annotated Anodyne C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049841661 KK Annotated Mild C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@@H](O)[C@@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049841662 KK Annotated Mild C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)C[C@@H]([C@H](O)[C@@H](C)C(=O)O)O[C@@]4(O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049841663 KK Annotated Mild C=C(C)[C@H]1Cc2c3c(cc4c2N1C(=O)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OC)[C@@H](O)CC[C@@]21C)CC4=O)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049841669 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@H]1O[C@H](C[C@@H]2OC(=O)[C@H](C)[C@@H](O)[C@H]2C)C=C[C@@H]1C ZINC000049844734 KK Annotated Anodyne CCN(CC)CCNC(=O)c1cc(I)cc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12 ZINC000049844757 KK Annotated Clean C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000049844758 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1cccc(Br)c1)C(C)(C)O2 ZINC000049844770 KK Annotated Bother CC(=O)O[C@H]1CC[C@@]2(C)[C@@]3(OC[C@@H](OO3)[C@@]3(C)[C@@]4(C)CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@]32C)C1(C)C ZINC000049844798 KK Annotated Reactive COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000049844803 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@@H](c2ccc(Br)cc2)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000049844804 KK Annotated Anodyne Cn1cncc1CN1C[C@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)C[C@H]2CC(C#N)=CC=C21 ZINC000049844808 KK Annotated Reactive Cn1cncc1CN1C[C@@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)C[C@H]2CC(C#N)=CC=C21 ZINC000049844809 KK Annotated Reactive CCN(CC)CCNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3cc(I)ccc3nc12 ZINC000049844821 KK Annotated Clean C=C(C)[C@H](OC(=O)COC)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)COC)C[C@]13O2)OC(=O)COC ZINC000049844838 KK Annotated Mild C=C(C)[C@H]1Cc2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049850421 KK Annotated Mild Oc1cc(Br)c(COCc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1O ZINC000049850446 KK Annotated Clean O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000049850492 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000049850496 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000049850499 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000049850501 KK Annotated Reactive CSc1[nH]c2cc(Br)cc(Br)c2c1-c1c(SC)[nH]c2cc(Br)cc(Br)c12 ZINC000049850526 KK Annotated Anodyne Cc1c(C(c2ccc(Cl)cc2)c2c(C)n(Cc3cn(Cc4ccccc4)nn3)c3ccccc23)c2ccccc2n1Cc1cn(Cc2ccccc2)nn1 ZINC000049850594 KK Annotated Anodyne O=C1CS[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000049850739 KK Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O ZINC000049850740 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(OS(=O)(=O)O)ccc1O)CO ZINC000049850765 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]5[C@@H](c2cc(O)cc(O)c2)[C@@H]4c2ccc(O)cc2)cc1 ZINC000049850814 KK Annotated Anodyne CSc1[nH]c2cc(Br)cc(Br)c2c1-c1c([S@](C)=O)[nH]c2cc(Br)cc(Br)c12 ZINC000049850839 KK Annotated Anodyne CSc1[nH]c2cc(Br)cc(Br)c2c1-c1c([S@@](C)=O)[nH]c2cc(Br)cc(Br)c12 ZINC000049850840 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000049850847 KK Annotated Anodyne Oc1c(Br)cc(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1O ZINC000049850857 KK Annotated Clean CCCCCCCCCCCCCCCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1)S(C)(=O)=O ZINC000049850879 KK Annotated Mild Nc1nc(Sc2ccc(OC(F)(F)F)cc2)c2ncn(CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c2n1 ZINC000049851106 KK Annotated Mild CC1=C2C(=CC(C)(C)[C@@H]2OC(=O)c2ccc(-c3ccc(C(=O)O[C@@H]4C5=C(C)C6(CC6)[C@@](C)(O)C(=O)C5=CC4(C)C)nc3)nc2)C(=O)[C@](C)(O)C12CC2 ZINC000049852113 KK Annotated Mild O=C(OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)[C@H](Br)CCCCCCCCCCBr ZINC000049852138 KK Annotated Reactive O=C(OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)[C@@H](Br)CCCCCCCCCCBr ZINC000049852139 KK Annotated Reactive CCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(=O)CCC)C[C@]3(C)[C@H](C=C(C)[C@H](OC(C)=O)[C@H](O)[C@H]3OC(=O)CCC)[C@H]2[C@H]1C(C)C ZINC000049852143 KK Annotated Anodyne CN1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Br)cc1)CN(C)[C@@]21C(=O)N(C)c2ccccc21 ZINC000049852147 KK Annotated Mild COc1cc2c(cc1OCCCCOc1ccc(-c3cc4ccccc4c4ccccc34)cc1)N=C[C@@H]1CCCN1C2=O ZINC000049853425 KK Annotated Bother CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](O/C(O)=N/S(=O)(=O)c6ccc(C)cc6)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049853440 KK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCl)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049853445 KK Annotated Reactive C=CCn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4CC=C)ccc21 ZINC000049853446 KK Annotated Mild CCn1c2ccccc2c2c(O)c(CN(Cc3ccccn3)Cc3ccc4c(c3O)c3ccccc3n4CC)ccc21 ZINC000049853458 KK Annotated Clean C[N+](C)(C)Cc1cc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)ccc1O ZINC000049853468 KK Annotated Clean CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)Nc6ccccc6)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000049853486 KK Annotated Anodyne CCC1=CCC2=CC(=O)O[C@@H](O[C@@H]3O[C@H](CC)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12 ZINC000049853533 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049853566 KK Annotated Anodyne C[C@@H](NC(=O)[C@@](C)(Cc1cn(C(=O)c2ccccc2COP(=O)(O)O)c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 ZINC000049853569 KK Annotated Anodyne O=C(Nc1ccc(Br)cc1Br)N[C@H]1CCC[C@@H](NC(=O)Nc2ccc(Br)cc2Br)C1 ZINC000049853570 KK Annotated Anodyne O=C(Nc1ccc(Br)cc1Br)N[C@H]1CCC[C@H](NC(=O)Nc2ccc(Br)cc2Br)C1 ZINC000049853571 KK Annotated Anodyne O=C(Nc1ccc(Br)cc1Br)N[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(Br)cc2Br)C1 ZINC000049853572 KK Annotated Anodyne CC(C)CCn1c(Cn2c(=O)n(Cc3cc(I)c(O)c(I)c3)c3ccccc32)nc2ccccc21 ZINC000049853609 KK Annotated Anodyne CSCCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCC(=O)N[C@H](CC(N)=O)c1ccc(C)cc1 ZINC000049853710 KK Annotated Anodyne CSCCCc1c(-c2cccnc2)nn(-c2ccc(Cl)c(Cl)c2)c1OCCCC(=O)N[C@@H](CC(N)=O)c1ccc(C)cc1 ZINC000049853711 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049853712 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@@H]3OC3(C)C)O[C@@H]2OC(C)=O)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12 ZINC000049853713 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863656 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863658 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863660 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863662 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863664 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863665 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863666 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863669 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C(C)=O)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863670 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C(C)=O)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863671 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C(C)=O)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863673 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C(C)=O)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863674 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)N(C)C ZINC000049863675 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)N(C)C ZINC000049863678 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)N(C)C ZINC000049863680 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)N(C)C ZINC000049863682 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863684 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863685 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863688 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863690 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863695 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863697 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863698 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863701 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863711 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863712 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863713 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863714 KK Annotated Mild C=CCOC(=O)/C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000049863716 KK Annotated Mild C=CCOC(=O)/C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000049863717 KK Annotated Mild C=CCOC(=O)/C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000049863718 KK Annotated Mild C=CCOC(=O)/C=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C ZINC000049863719 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863721 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863722 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863723 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)NCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863724 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863732 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863734 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863735 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863736 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C\C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863742 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C\C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863743 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C\C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863744 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C\C(N)=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863745 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863746 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863747 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863748 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863750 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863759 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863761 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863762 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863763 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(N)=O ZINC000049863769 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(N)=O ZINC000049863770 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(N)=O ZINC000049863771 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(N)=O ZINC000049863772 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863781 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863782 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863783 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(C)=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863784 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863790 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863792 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863793 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863795 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863797 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863799 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863800 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863801 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863806 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049863807 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863808 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\OC)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049863809 KK Annotated Mild O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(O)oc(CO)c1O ZINC000049864955 KK Annotated Mild CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O ZINC000049867154 KK Annotated Reactive CCc1c(-c2nnc(C3(c4ccccc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000049867340 KK Annotated Anodyne CC(C)NC(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 ZINC000049867361 KK Annotated Mild Oc1cc(Cc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O ZINC000049867365 KK Annotated Clean CCc1c(-c2nnc(C3(c4ccc(OC)cc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000049867368 KK Annotated Anodyne CC(C)NC(=N)c1ccc2[nH]c(-c3sc(-c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)c4c3OCCO4)nc2c1 ZINC000049867388 KK Annotated Anodyne CCc1cc(Oc2cccc3c2CC[C@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@H](O)C(F)(F)F)ccc1Cl ZINC000049867403 KK Annotated Mild CCc1cc(Oc2cccc3c2CC[C@@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@H](O)C(F)(F)F)ccc1Cl ZINC000049867404 KK Annotated Mild COc1cc2c(cc1O)OCc1c-2c(-c2ccc(OC)c(OC)c2)c2n1CCc1c-2cc(OC)c(OC)c1OC ZINC000049867493 KK Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#CCOc3cccc(-c4ccccc4)c3)nn2)O1 ZINC000049867502 KK Annotated Mild O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(Sc3ccccn3)c12)c1cc(Cl)c(Cl)s1 ZINC000049867516 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(Cl)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049867529 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(Cl)c3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049867531 KK Annotated Mild COCc1c(Br)c(Br)c(O)c(O)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000049867533 KK Annotated Clean S=C(Nc1ccccc1)Nc1ccccc1SCCCSc1ccccc1NC(=S)Nc1ccccc1 ZINC000049867537 KK Annotated Anodyne CCCCC/C=C/[C@H](O)CCCCC/C=C/[C@@H](CCCCCCCC(=O)O[C@@H](C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000049867543 KK Annotated Anodyne CCCCC/C=C/[C@@H](O)CCCCC/C=C/[C@@H](CCCCCCCC(=O)O[C@@H](C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000049867545 KK Annotated Anodyne CCCCC/C=C/[C@H](O)CCCCC/C=C/[C@H](CCCCCCCC(=O)O[C@@H](C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000049867547 KK Annotated Anodyne CCCCC/C=C/[C@@H](O)CCCCC/C=C/[C@H](CCCCCCCC(=O)O[C@@H](C)C[C@H](O)[C@H](O)C[C@H](O)CCC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000049867549 KK Annotated Anodyne CC(=O)Oc1c(-c2c3c(c4ccccc4c2OC(C)=O)OC(C)(C)C=C3)c2c(c3ccccc13)OC(C)(C)C=C2 ZINC000049867572 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@]1(C)CC[C@]1(C)CCC[C@@H]2C1=CC[C@@H](C)[C@@]2(C)Cc1cc(O)ccc1O ZINC000049867604 KK Annotated Anodyne CC(/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)=C\C[C@H]1O[C@]2(CC[C@H](C)[C@H](/C=C/C(C)=C/C(=O)O)O2)CC[C@@H]1C ZINC000049867609 KK Annotated Anodyne in-vitro CCc1c(-c2nnc(C3(c4ccc(Cl)cc4Cl)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000049867719 KK Annotated Anodyne NC[C@H](Cc1cccc(C(F)(F)F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1 ZINC000049867765 KK Annotated Anodyne CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3ccc(Oc4ccccc4)cc3)nn2)O1 ZINC000049867798 KK Annotated Mild CCCC[C@@]1(OC(=O)CCC(=O)OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C=C/C(=O)O ZINC000049871954 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)OC)O2)O[C@H]1/C=C/C=C/C(=O)OC ZINC000049871992 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](OC)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000049871993 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000049872036 KK Annotated Anodyne CCCCN(CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N(C)Cc3ccccc3)O2)nn1)CCCC ZINC000049872038 KK Annotated Mild O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(S(=O)(=O)c3ccc(Cl)cc3Cl)c12)c1cc(Cl)c(Cl)s1 ZINC000049872039 KK Annotated Mild O=S(=O)(/N=C(\O)COc1cccc2[nH]cc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c12)c1cc(Cl)c(Cl)s1 ZINC000049872056 KK Annotated Mild O[C@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000049872103 KK Annotated Reactive O[C@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000049872104 KK Annotated Reactive Fc1cccc(Cl)c1-c1nc(-c2ccc(C#Cc3ccc(C(F)(F)F)cc3)nc2)c(Br)[nH]1 ZINC000049872135 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(C(F)(F)F)cc1)c1ccc(Cl)cc1 ZINC000049872143 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/CCCCC)OC)OC)OC)OC)OC)OC ZINC000049872164 KK Annotated Mild COc1cc(Br)c(Br)c2c1Oc1cc(Br)cc(Br)c1O2 ZINC000049872174 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000049872189 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000049872190 KK Annotated Mild O=c1c2ccccc2nc(-c2sc(Nc3ccc(Cl)cc3)nc2-c2ccccc2)n1-c1ccccc1Cl ZINC000049872257 KK Annotated Anodyne Cc1ccc(N(C(=O)c2ccc(Br)c(C)c2)C(=S)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000049872269 KK Annotated Anodyne O[C@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000049872273 KK Annotated Mild O[C@H](CF)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 ZINC000049872274 KK Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC/C=C\C=C\[C@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)CC[C@@H](O)[C@@H]1C ZINC000049872286 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049872313 KK Annotated Mild COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C ZINC000049872327 KK Annotated Anodyne CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(Br)cc(C(=O)n2nc(O)c3cc(Br)ccc32)c1 ZINC000049872333 KK Annotated Anodyne O=S(=O)(Nc1ccc2c(c1)Cc1cc(NS(=O)(=O)c3cccc(Br)c3)ccc1-2)c1cccc(Br)c1 ZINC000049872334 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000049872346 KK Annotated Anodyne in-vitro C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@]5(C)O[C@@H](CC/C=C(C)/C(C)=C/C(OC)OC)[C@@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O ZINC000049872353 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000049872365 KK Annotated Bother CC(=O)OC[C@]12CC[C@H](O)C(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)[C@H](O)C/C=C(/C)CO)CC[C@@]12C ZINC000049872388 KK Annotated Anodyne CC(=O)OC[C@]12CC[C@H](O)C(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](O)C/C=C(/C)CO)CC[C@@]12C ZINC000049872389 KK Annotated Anodyne C[C@@H]1C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC(C)(C)[C@H](O)c2nc(cs2)C(=O)O[C@H]1CCCC(C)(Cl)Cl ZINC000049872399 KK Annotated Anodyne COc1ccc([C@H]2C=CC[C@H](NS(=O)(=O)c3cccc4cccnc34)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000049872442 KK Annotated Anodyne COc1ccc([C@H]2/C=C/C[C@H](NS(=O)(=O)c3cccc4cccnc34)CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000049872443 KK Annotated Anodyne C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/CCCCC)OC)OC)OC)OC)OC)OC)OC ZINC000049872486 KK Annotated Mild O=C1/C(=C/c2ccc(F)cc2)CCC[C@]12[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000049872492 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000049872493 KK Annotated Reactive in-vitro CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C ZINC000049872494 KK Annotated Reactive in-vitro CCOP(=O)(CCN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000049872496 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049872514 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000049872517 KK Annotated Mild C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@H]1O[C@H]2/C=C/C/C=C/C(C)=C\[C@@H]3O[C@H](C/C=C/C=C/C(=O)O[C@@H](C2)[C@]1(C)CO)C[C@@H](O)[C@@H]3C ZINC000049877401 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000049877430 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000049877432 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000049877435 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000049877438 KK Annotated Anodyne in-vitro biogenic C=C(CCC(C)C)COC(=O)[C@@H](O)C/C=C\C[C@@H]1O[C@@H]2/C=C\C/C=C/C(C)=C\[C@H]3O[C@@H](C/C=C/C=C/C(=O)O[C@H](C2)[C@@]1(C)CO)C[C@H](O)[C@H]3C ZINC000049877489 KK Annotated Mild CCOP(=O)(OCC)C(O)(CCCCn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(OCC)OCC ZINC000049877505 KK Annotated Anodyne CCOP(=O)(CCCCN1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1)OCC ZINC000049877508 KK Annotated Mild CCOP(=O)(OCC)C(O)(CCCCn1c2c(c3ccccc31)CCOc1ccccc1-2)P(=O)(OCC)OCC ZINC000049877509 KK Annotated Anodyne CCOP(=O)(OCC)C(O)(CCCCCn1c2c(c3ccccc31)CCCc1ccccc1-2)P(=O)(OCC)OCC ZINC000049877511 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1ccc(Br)cc1)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccc(Br)cc1 ZINC000049877523 KK Annotated Anodyne COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]2CC4)O1 ZINC000049877535 KK Annotated Anodyne COC(=O)/C(C)=C/[C@H](O)C[C@@H](C)[C@]1(C)CC(=O)C2=C3CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C ZINC000049877555 KK Annotated Anodyne CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Cn2ncnn2)o1 ZINC000049877558 KK Annotated Anodyne O[C@H]([C@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000049877572 KK Annotated Anodyne CCOP(=O)(OCC)C(O)(CCCCCn1c2c(c3ccccc31)CCSc1ccccc1-2)P(=O)(OCC)OCC ZINC000049877585 KK Annotated Anodyne CC[C@@H](C)CCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000049877626 KK Annotated Anodyne CC[C@H](C)CCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](O)C[C@@H](O)[C@@H](O)[C@@H](C)O)co1 ZINC000049877628 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(nccc3cc1OC)Cc1ccc(cc1)COc1c(OC)cc3c(c1O)[C@H](C2)N(C)CC3 ZINC000049877638 KK Annotated Clean CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H]1C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=CC1(C)C ZINC000049877723 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCOC(=S)N(C(=O)c1cccc([N+](=O)[O-])c1)c1c(Cl)cccc1Cl ZINC000049877726 KK Annotated Bother O=C(Cc1ccccc1)N(CCCNCCCN(Cc1ccccc1)C(=O)Cc1ccccc1)Cc1ccccc1 ZINC000049877733 KK Annotated Anodyne Cc1ccccc1N1C(=O)[C@H](CCC(O)(c2ccc(F)cc2)c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 ZINC000049877743 KK Annotated Anodyne CCOP(=O)(CCCN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1)OCC ZINC000049877846 KK Annotated Mild CN1C[C@H](c2ccc(Cl)cc2)[C@]2(CCC/C(=C\c3ccc(Cl)cc3)C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000049878009 KK Annotated Mild CC(C)CCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1coc(Cc2cnco2)n1 ZINC000049878044 KK Annotated Anodyne CCCCCCCCCCCCCCC(=O)O[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000049878046 KK Annotated Mild CCCCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1coc(Cc2cnco2)n1 ZINC000049878087 KK Annotated Mild CC(C)(c1ccc(C(C)(c2ccc(O)c(Br)c2)c2ccc(O)c(Br)c2)cc1)c1ccc(O)c(Br)c1 ZINC000049878101 KK Annotated Anodyne Cc1c(/N=C(O)/C(C#N)=C2\SC=C(c3ccc(Br)cc3)N2c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000049878103 KK Annotated Reactive O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000049878119 KK Annotated Anodyne O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049878122 KK Annotated Mild in-vivo O[C@@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049878123 KK Annotated Mild COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccccc2)=C(I)C(=O)C[C@H]1C ZINC000049878143 KK Annotated Mild C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 ZINC000049878215 KK Annotated Reactive C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 ZINC000049878217 KK Annotated Reactive CCCCCCCCO[C@]1([C@@H]2CSC(=O)N2)C[C@H]2C[C@@H](CC[C@H](C)/C=C\CC/C(C)=C\C(=O)O2)O1 ZINC000049878228 KK Annotated Mild CCCCCCCCCCCCC[C@@H](C[C@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O ZINC000049878243 KK Annotated Mild Cc1ccc(N2C(=O)[C@H]3CC=C[C@@H]([C@H]4C(=O)N(C5CCCCC5)[C@H]4c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000049878325 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049878364 KK Annotated Mild in-vivo O[C@@H](CN1c2cccc(-c3cccc(C(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049878391 KK Annotated Mild O[C@@H](CN1c2cccc(-c3cccc(C(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000049878393 KK Annotated Mild O=S(=O)(Nc1ccc2c(c1)Cc1cc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)ccc1-2)c1cc(F)c(F)c(F)c1 ZINC000049878420 KK Annotated Anodyne Cc1ccc2c(Cc3nn4c(CN5CCOCC5)c(-c5ccc(Br)cc5)nc4s3)coc2c1 ZINC000049878464 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000049878502 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1coc(Cc2cnco2)n1 ZINC000049878513 KK Annotated Mild COc1ccc(C[C@@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049878586 KK Annotated Anodyne Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)[C@H](c3c[nH]c4ccccc34)C2)c1 ZINC000049878607 KK Annotated Anodyne Brc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)[C@@H](c3c[nH]c4ccccc34)C2)c1 ZINC000049878609 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1coc(Cc2cnco2)n1 ZINC000049878646 KK Annotated Mild CC(C)CCCCCCCCCCCC(=O)O[C@H](C[C@H](O)[C@H](O)[C@H](C)O)c1coc(Cc2cnco2)n1 ZINC000049881390 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](O)c1coc(Cc2cnco2)n1 ZINC000049881391 KK Annotated Mild CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@](=O)(F)OCC)cc(OC)c2O)c1 ZINC000049881432 KK Annotated Reactive CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@@](=O)(F)OCC)cc(OC)c2O)c1 ZINC000049881433 KK Annotated Reactive CCO[P@@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@](=O)(F)OCC)cc(OC)c2O)c1 ZINC000049881434 KK Annotated Reactive O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000049881453 KK Annotated Reactive C[C@H]1CC[C@@H]2OC(C)(C)C(=O)CC[C@@]2(C)[C@@]12O[C@H]([C@@]1(C)CC[C@@H]3OC(C)(C)C(=O)CC[C@]31C)C[C@H]2O ZINC000049881459 KK Annotated Anodyne CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1 ZINC000049881491 KK Annotated Reactive CCO[P@@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1 ZINC000049881492 KK Annotated Reactive CCO[C@@H](/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000049881493 KK Annotated Mild CCO[C@H](/C=C/C(C)=C/C=C/C(C)=C1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)O)C(C)(C)O ZINC000049881494 KK Annotated Mild Clc1ccc2c(N3CCN(C4CCC5(CC4)OOC4(O5)C5CC6CC(C5)CC4C6)CC3)ccnc2c1 ZINC000049881612 KK Annotated Reactive COc1ccc2nc3cc(Cl)ccc3c(NCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)c2c1 ZINC000049881630 KK Annotated Reactive Cc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Nc1ccc(N(CCCl)CCCl)cc1 ZINC000049881642 KK Annotated Reactive N#Cc1cnc2c(Cl)cc(NCc3cn(CC[C@@H]4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000049881652 KK Annotated Mild N#Cc1cnc2c(Cl)cc(NCc3cn(CC[C@H]4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000049881653 KK Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2)CCC[C@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000049881689 KK Annotated Mild O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 ZINC000049881711 KK Annotated Anodyne N#Cc1cnc2c(Br)cc(NCc3cn(CC[C@@H]4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000049881741 KK Annotated Mild N#Cc1cnc2c(Br)cc(NCc3cn(CC[C@H]4CCCN4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000049881742 KK Annotated Mild CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1 ZINC000049881749 KK Annotated Anodyne CCCCOc1ccc2c3cc[n+](Cc4ccccc4)c(/C=C/c4ccc([N+](=O)[O-])cc4)c3n(CCCc3ccccc3)c2c1 ZINC000049881772 KK Annotated Bother COc1ccc2c(c1)OC(C)(C)[C@@H](c1ccccc1)[C@@H]2c1ccc(OCCCCCCNCCCc2ccccn2)cc1 ZINC000049881775 KK Annotated Anodyne C=C1CC[C@@H](Cl)[C@@](O)(COC(=O)c2ccc(Br)cc2)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 ZINC000049881842 KK Annotated Reactive O=C1c2cccc3cccc(c23)[C@]12N[C@@H](c1ccccc1)[C@H](c1ccc(F)cc1)[C@]21CCC/C(=C\c2ccc(F)cc2)C1=O ZINC000049881847 KK Annotated Mild CC[C@H]1CN2CC[C@@H]3c4ccc(O)c([C@@H]5CCCN5C)c4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000049881854 KK Annotated Anodyne CC[C@H]1CN2CC[C@H]3c4ccc(O)c([C@@H]5CCCN5C)c4N[C@@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000049881855 KK Annotated Anodyne CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Br)c2)C1 ZINC000049881858 KK Annotated Anodyne CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/CO)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000049881864 KK Annotated Anodyne Cc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000049881878 KK Annotated Reactive N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4ccncc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1 ZINC000049881922 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1cc(COc2nc(-c3ccccc3)nc3ccccc23)nn1 ZINC000049881994 KK Annotated Mild C=C(OCCCCCCCCCCCCCCCCC)[C@@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCCCCCCCC ZINC000049882011 KK Annotated Mild C=C(OCCCCCCCCCCCCCCCCC)[C@H](C[n+]1c(C)cc(C)cc1C)C(=O)OCCCCCCCCCCCCCCCCC ZINC000049882012 KK Annotated Mild CC/C(=C(/CC)c1ccc(O[P@@](=O)(Cl)N(CCCl)CCCl)cc1)c1ccc(O[P@@](=O)(Cl)N(CCCl)CCCl)cc1 ZINC000049882027 KK Annotated Reactive CC/C(=C(/CC)c1ccc(O[P@@](N)(=O)N(CCCl)CCCl)cc1)c1ccc(O[P@@](N)(=O)N(CCCl)CCCl)cc1 ZINC000049888567 KK Annotated Reactive CCCCC1(CCCC)OC(c2ccc(Cl)cc2Cl)=NN1C(=O)NC(=O)c1cc(F)c(OC)c(F)c1F ZINC000049888661 KK Annotated Anodyne C=C(C)[C@H](OC(=O)COCC)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)COCC)C[C@]13O2)OC(=O)COCC ZINC000049888668 KK Annotated Mild C#CCOc1cc(COc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2 ZINC000049888670 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 ZINC000049888693 KK Annotated Mild C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CCC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049888699 KK Annotated Mild CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1cccc(n1)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000049888714 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1c2cc(C(=O)c3ccccc3)ccc2Nc2c(C(=O)O)cc(C(=O)c3ccccc3)cc21 ZINC000049888716 KK Annotated Anodyne in-vitro CC(=O)O[C@H]1O[C@H]2C[C@@]13CC=C1[C@@](C)(CC[C@H]4[C@@]1(C)[C@@H]1O[C@@H]1[C@H]1C(C)(C)[C@H](O)CC[C@@]14C)[C@@H]3CC2(C)C ZINC000049888730 KK Annotated Anodyne O=P(OCCCCCCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000049888733 KK Annotated Anodyne CCCCCC(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@H]([C@@H]3C(C)C)[C@H](O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000049888738 KK Annotated Mild CCCCCC(=O)c1c(O)c2c(c3c1O[C@@]1(O)[C@H]([C@@H]3C(C)C)[C@@H](O)C(C)(C)C(=O)C1(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000049888739 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049888762 KK Annotated Mild CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000049888795 KK Annotated Anodyne CC(=O)O[C@@H](CC=C(C)C)/C(C)=C/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1[C@@](C)(CO)[C@H](OC(C)=O)CC[C@]21C ZINC000049888797 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)c(OC)c4)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049888814 KK Annotated Mild CO[C@@]1(C)CO[C@]2(C=C([C@@H]3CC[C@]45C[C@]34CC[C@@H]3[C@H]4CC=C6C[C@@H](c7ccc8c(c7)OCO8)OC[C@]6(C)[C@@H]4C[C@@H](O)[C@]35C)C(=O)O2)C1 ZINC000049888815 KK Annotated Anodyne O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)sc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049888816 KK Annotated Mild Cc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(C)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000049888817 KK Annotated Reactive COC(=O)C[C@@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](OC(C)=O)[C@H]2[C@](C)(C=O)[C@H](O)C[C@H](OC(=O)/C=C/c3ccccc3)[C@]12C ZINC000049888821 KK Annotated Mild CCCCCC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@@H]3OC3(C)C)O[C@@H]2OC(C)=O)[C@]2(C)[C@H](O)C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12 ZINC000049888831 KK Annotated Anodyne Cc1cccc2c(Nc3cc(COC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc(NC(=O)OC(C)(C)C)c3)c3ccccc3nc12 ZINC000049888833 KK Annotated Reactive CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2[C@@H]2C[C@]45[C@H]3C[C@@H]3O[C@]6(C[C@H](C)C(C)(C)O6)[C@](C)(O[C@H]4O2)[C@@H]35)C1 ZINC000049888850 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000049888868 KK Annotated Anodyne CCOC(=O)Nc1cc(COC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000049888883 KK Annotated Reactive C=C(C)[C@H](OC(=O)COCC)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)COCC)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)COCC ZINC000049888884 KK Annotated Mild COc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4cccc5c(NCCSc6ccccc6)ccc(c45)C3=O)c(OC)c2)ccc1N ZINC000049888885 KK Annotated Anodyne C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049888886 KK Annotated Reactive C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049888887 KK Annotated Reactive C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049888888 KK Annotated Reactive CC(C)CCC[C@H](C)CCC[C@H](C)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H]4C[C@H]4C)CC[C@H]23)C1 ZINC000049888893 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H]4C[C@@H]4C)CC[C@H]23)C1 ZINC000049888894 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@@H]4C[C@H]4C)CC[C@H]23)C1 ZINC000049888895 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@H](C)CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@@H]4C[C@@H]4C)CC[C@H]23)C1 ZINC000049888896 KK Annotated Anodyne Cc1ccccc1/C=C1\CCC[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000049888903 KK Annotated Mild COc1cc2c(=O)c3c(O)c(CC=C(C)C)c4c(c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)C(C)(C)[C@@H](C)O4 ZINC000049888906 KK Annotated Bother CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2O)C1(C)C ZINC000049888929 KK Annotated Anodyne CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@H]2O)C1(C)C ZINC000049888930 KK Annotated Anodyne COc1ccc([C@@H]2CC3=CC[C@@]4(C)[C@@H](C[C@@H](O)[C@]5(C)[C@@H]4C=C[C@]46C[C@@]45CC[C@H]6[C@@H]4C[C@H](/C=C(\C)CO)OC4=O)[C@@]3(C)CO2)cc1 ZINC000049888939 KK Annotated Anodyne COc1cc(CC=C(C)C)c(-c2oc3c(CC=C(C)C)c(OC)cc(OC)c3c(=O)c2OCC(=O)c2ccccc2)c(CC=C(C)C)c1OC ZINC000049888943 KK Annotated Anodyne COc1c(Cl)cc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)CCNC2=O)cc1Cl ZINC000049888985 KK Annotated Anodyne COc1cc(O)c2c(c1C(=O)/C=C/c1ccc(O)cc1)O[C@H](c1ccc(O)cc1)[C@@H]1[C@@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C[C@@H]21 ZINC000049888990 KK Annotated Mild in-vitro biogenic CN1CC[C@]2(c3cccc4c3C[C@H]3N(C)CC[C@@]45[C@@H]4Nc6c(cccc6[C@]67CCN(C)[C@H]6Nc6ccccc67)[C@]35CCN4C)c3ccccc3N[C@H]12 ZINC000049888993 KK Annotated Anodyne O=[N+]([O-])OCCOc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000049889013 KK Annotated Bother COc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)cs2)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 ZINC000049889015 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(C)(C)O2 ZINC000049889016 KK Annotated Bother C[N+](C)(CCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000049889052 KK Annotated Bother CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(OC(F)(F)F)c2)C1 ZINC000049889053 KK Annotated Anodyne COC(=O)c1cc(OC(=O)c2c(O)cc(C)cc2Oc2c(OC)cc(O)cc2C(=O)OC)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)OC ZINC000049889067 KK Annotated Anodyne C[C@H](C(=O)O)[C@@H](O)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c([nH]c6cc7c(cc56)C5=CC(C)(C)OC(C)(C)[C@H]5C7)[C@]4(C)[C@@]3(C)CC[C@]2(O)O1 ZINC000049889077 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@@H]3OC3(C)C)O[C@H]2OC)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)C(=O)C[C@H](O)[C@]3(C)[C@@H]12 ZINC000049889079 KK Annotated Anodyne CCCCc1ccc(OCCC#CC[C@@H](O)[C@H]2CC[C@H]([C@H]3CC[C@H]([C@H](O)CC#CCCOc4ccc(CCCC)cc4)O3)O2)cc1 ZINC000049889081 KK Annotated Mild C/C(=C\Cn1c[n+](C)c2ncnc(N)c21)CC[C@]1(C)[C@@H]2CCC=C(COC(=O)c3cc(Br)c[nH]3)[C@]2(C)CC[C@H]1C ZINC000049889137 KK Annotated Anodyne COC(=O)/C(C)=C/CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3c4[nH]c5cc(CC=C(C)C)c(CC=C(C)C)cc5c4C[C@@H]3CC[C@@H]12 ZINC000049889141 KK Annotated Anodyne CC1=C[C@@H](c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)[C@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)CC1 ZINC000049889144 KK Annotated Bother in-man COC(=O)/C(C)=C/C=C/[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4cc5c(cc34)C3=CC(C)(C)OC(C)(C)[C@H]3C5)[C@@]12C ZINC000049889155 KK Annotated Anodyne COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc(OC)c4c(c3CCN2C)OCO4)cc1 ZINC000049889174 KK Annotated Bother Cc1ccc(S(=O)(=O)N/N=C2\CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C2(C)C)cc1 ZINC000049889176 KK Annotated Anodyne C=C(C)[C@H](OC(=O)CC(C)C)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)CC(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)CC(C)C ZINC000049889183 KK Annotated Mild CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](OC(C)=O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@@H]4OC(C)=O ZINC000049889211 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H](O)C[C@@](C)(O)[C@@H]3CC=C(C)[C@@H](CC/C(C)=C/[C@H]12)O3 ZINC000049889214 KK Annotated Anodyne C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000049889236 KK Annotated Reactive C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000049889237 KK Annotated Reactive C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000049889238 KK Annotated Reactive CC(=O)N1CCN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)O)cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1 ZINC000049889286 KK Annotated Anodyne O=C1C=C2O[C@@H](c3ccc(O)cc3)[C@H]3C2=C(C1=O)[C@H]1c2c(cc(O)cc2[C@@H]2c4c(cc(O)cc43)O[C@H]2c2ccc(O)cc2)O[C@@H]1c1ccc(O)cc1 ZINC000049889287 KK Annotated Mild C#C[C@@H](O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000049889292 KK Annotated Mild C#C[C@@H](O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000049889293 KK Annotated Mild C#C[C@@H](O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000049889294 KK Annotated Mild C#C[C@@H](O)/C=C/CC/C=C\CCCC/C=C\CCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/[C@H](O)C#C ZINC000049889295 KK 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@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000049889298 KK 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@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@]12C ZINC000049889331 KK Annotated Mild CC(=O)O[C@H]1CC2=C(CC[C@H]3C(C)(C)[C@@H](OC(C)=O)[C@H](OC(=O)C[C@@](C)(O)CC(=O)O)C[C@]23C)[C@]2(C)CC[C@H]([C@H]3CC[C@H](C(C)(C)O)O[C@@H]3O)[C@@]12C ZINC000049889378 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5-c5ccc(OC)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049889405 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)c(OC)c4)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000049889413 KK Annotated Mild C=C[C@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)[P@@](=O)(O)OCC ZINC000049889430 KK Annotated Mild C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CCCCCCCCCCCCCO)CC[C@]34CO)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000049889436 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]3C[C@@](C)(O)[C@H](CC[C@@H](C)C(=O)CC/C(C)=C/[C@H]12)O3 ZINC000049889437 KK Annotated Anodyne C[N+](C)(CCCCCC[N+](C)(C)CCn1c2ccccc2c2nc3ccccc3nc21)CCn1c2ccccc2c2nc3ccccc3nc21 ZINC000049889445 KK Annotated Bother CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5-c5ccc(Cl)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049889446 KK Annotated Mild C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000049889461 KK Annotated Reactive C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000049889462 KK Annotated Reactive C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000049889463 KK Annotated Reactive COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](O)[C@@H](OC(=O)/C=C/c1cccc(Cl)c1)C(C)(C)O2 ZINC000049889470 KK Annotated Bother CC(C)=CC[C@H](O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)/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@]21C ZINC000049889471 KK Annotated Mild CC(C)=CC[C@@H](O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)/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@]21C ZINC000049889472 KK Annotated Mild C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000049889478 KK Annotated Anodyne CO[C@@]1(C)CO[C@@]2(C1)OC(=O)[C@H]([C@@H]1CC[C@]34C[C@]13CC[C@@H]1[C@@]3(C)CC=C5C[C@@H](c6ccc7c(c6)OCO7)OC[C@]5(C)[C@@H]3C[C@@H](O)[C@]14C)[C@H]2O ZINC000049889489 KK Annotated Anodyne C#CC(=O)/C=C/CCCCCC/C=C\CCCCC#C[C@@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/C(=O)C#C ZINC000049889493 KK Annotated Mild C#CC(=O)/C=C/CCCCCC/C=C\CCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCCCCCCCCCCC/C=C/C(=O)C#C ZINC000049889494 KK Annotated Mild O=C(O)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1 ZINC000049889498 KK Annotated Mild C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@]4(O)C[C@@H](OC(=O)CCCCC/C=C\CCCCCCO)CC[C@]34CO)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 ZINC000049889519 KK Annotated Anodyne COc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(OC)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000049889533 KK Annotated Reactive C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@]5(C)O[C@@H](CC/C=C(C)/C(C)=C/C=O)[C@@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O ZINC000049889539 KK Annotated Reactive O=C(c1nc(SCc2ccc(Cl)cc2)n2ccccc12)N1CCN(c2cc(Nc3cccc(Br)c3)ncn2)CC1 ZINC000049889540 KK Annotated Anodyne CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@H](C)CC)C(=O)N1O ZINC000049889551 KK Annotated Mild CCOCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)COCC)[C@@H](OC(=O)COCC)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049889552 KK Annotated Anodyne O=C1c2cccc3cccc(c23)[C@]12N[C@@H](c1ccccc1)[C@H](c1ccc(Cl)cc1Cl)[C@]21CCC/C(=C\c2ccc(Cl)cc2Cl)C1=O ZINC000049889553 KK Annotated Mild C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000049889555 KK Annotated Anodyne COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(C)=O)[C@H](C)[C@H](C)[C@@H]2OC(=O)/C=C/c1ccccc1 ZINC000049889570 KK Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)/C=C(\C)CC[C@@H]2C([C@H](OC(C)=O)[C@@H](C=C(C)C)OC(C)=O)=CO[C@@H](OC(C)=O)[C@@H]12 ZINC000049898146 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)c4ccccc4)[C@](C)([C@H]4CC(=O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000049898154 KK Annotated Anodyne C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2[C@H](OC(=O)[C@H](O)C(C)C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000049898158 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC[C@H](O)/C=C/CCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049898160 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCC[C@@H](O)/C=C/CCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049898161 KK Annotated Mild CCCCCC(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@@H]2C[C@@H]([C@@H]3OC3(C)C)O[C@@H]2OC(C)=O)[C@]2(C)[C@H](OC(C)=O)C[C@H]3C(C)(C)C(=O)C=C[C@]3(C)[C@@H]12 ZINC000049898204 KK Annotated Anodyne COc1cc(-c2cc(OC)c(O)c3c2CC[C@@H](c2cc(OC)c(OC)c(OC)c2)O3)c2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000049898207 KK Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](C)/C=C/C(C)(C)C(=O)C[C@@H](OC(=O)c2ccccc2)/C(C)=C/[C@H]2[C@@H](OC(=O)c3ccccc3)[C@H](C)C[C@@]21OC(C)=O ZINC000049898234 KK Annotated Anodyne in-vitro biogenic 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(CCNC(=O)CCc3ccccc3)[C@H]1[C@H]2C ZINC000049898246 KK Annotated Mild C=C(C)[C@H](OC(=O)CCCC)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)CCCC)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)CCCC ZINC000049898257 KK Annotated Mild COc1cc2c(c3c1c(=O)c1cc4ccccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(=O)/C=C/c1ccc(Br)cc1)C(C)(C)O2 ZINC000049898271 KK Annotated Bother CC(=O)O[C@H]1O[C@@H](C(C)(C)O)CC[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@@](C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000049898314 KK Annotated Anodyne Cc1cc(C)cc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2cc(C)cc(C)c2)OCCN2C(=O)c3ccccc3C2=O)c1 ZINC000049898325 KK Annotated Reactive CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)C/C=C/CCCC[C@@H]1C[C@@H]1CCCC ZINC000049898344 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)C/C=C/CCCC[C@H]1C[C@@H]1CCCC ZINC000049898345 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)C/C=C/CCCC[C@@H]1C[C@H]1CCCC ZINC000049898346 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)C/C=C/CCCC[C@H]1C[C@H]1CCCC ZINC000049898347 KK Annotated Mild Cc1ccc([C@@H](CC(N)=O)NC(=O)CCCN(CCN2CCOCC2)c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049898353 KK Annotated Anodyne Cc1ccc([C@H](CC(N)=O)NC(=O)CCCN(CCN2CCOCC2)c2cc(-c3cccnc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000049898354 KK Annotated Anodyne CCCC(=O)O[C@@H]1[C@@H](OC(=O)CC)[C@@H](O)C(C)=C[C@@H]2[C@H]3[C@@H](C(C)C)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@]3(C)[C@@H](OC(=O)CCC)C[C@]21C ZINC000049898370 KK Annotated Anodyne CCCCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049898372 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@H]3OC(C)(C)O[C@@H]32)C1(C)C ZINC000049898390 KK Annotated Mild CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000049898393 KK Annotated Anodyne CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5c(cc6c(=O)n(-c7ccccc7)c(=O)nc-6n5-c5ccc(F)cc5)C[C@]4(C)[C@H]3CC[C@]12C ZINC000049898394 KK Annotated Mild COc1ccc(CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC(C)(C)C)cc1OC ZINC000049898395 KK Annotated Anodyne COc1ccc(CCN(C[C@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C(=O)OC(C)(C)C)cc1OC ZINC000049898396 KK Annotated Anodyne COc1cccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2cccc(OC)c2)OCCN2C(=O)c3ccccc3C2=O)c1 ZINC000049898403 KK Annotated Reactive Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2cn[nH]c12 ZINC000049898414 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049898416 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(CC/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)C1=C3 ZINC000049898417 KK Annotated Mild CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@@]5(C)[C@@H]6Cc7c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000049898418 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000049898419 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@@H]3CC[C@](C)([C@H]4CC[C@]5(C)[C@H]4CC[C@]4(C)c6c(OS(=O)(=O)O)ccc(OS(=O)(=O)O)c6C[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000049898421 KK Annotated Anodyne C=C1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)c2nc(oc2-c2ccccc2)-c2nc(oc2C)-c2csc(n2)-c2coc(n2)-c2coc1n2 ZINC000049898432 KK Annotated Anodyne CCCC(=O)c1c2c(c(OC(C)=O)c(Cc3c(OC)c(C)c(OC(C)=O)c(C(C)=O)c3OC(C)=O)c1OC(C)=O)C=CC(C)(C)O2 ZINC000049898434 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000049898449 KK Annotated Mild O/C(=N\c1ccc(Br)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(/C(O)=N/c3ccc(Br)cc3)cc2)cc1 ZINC000049898466 KK Annotated Mild COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CCN2C)cc1 ZINC000049898467 KK Annotated Anodyne CC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@@H](CCCC(C)(Cl)Cl)[C@H](C)C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C ZINC000049898473 KK Annotated Anodyne CC(C)C(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049898478 KK Annotated Anodyne C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cc3c2)cc1)[C@@H]1COC2(CCCCC2)OO1 ZINC000049898502 KK Annotated Reactive C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000049898503 KK Annotated Reactive C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@H]5COC6(CCCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCCC2)OO1 ZINC000049898504 KK Annotated Reactive C=C(C)/C(C)=C\C[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000049898509 KK Annotated Anodyne in-vitro CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000049898534 KK Annotated Anodyne in-vitro COc1ccc(CCN(C[C@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)C(=O)OC(C)(C)C)cc1OC ZINC000049898536 KK Annotated Anodyne COc1ccc(CCN(C[C@@H](O)COc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)C(=O)OC(C)(C)C)cc1OC ZINC000049898537 KK Annotated Anodyne CC(=O)N[C@H]1CC[C@H]2[C@@H]3NC(=O)C=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000049898544 KK Annotated Reactive COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)cc1 ZINC000049898546 KK Annotated Mild CC1=C2O[C@]34OC5(CCN(C)CC5)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000049898549 KK Annotated Mild COC(=O)c1cc(OC(=O)c2c(O)cc(C)cc2Oc2c(OC)cc(O)cc2C(=O)OC)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)O ZINC000049898552 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]23C)C1(C)C ZINC000049898562 KK Annotated Anodyne COC(=O)[C@@H](C)[C@@H](O)[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4Cc5c([nH]c6cc7c(cc56)C5=CC(C)(C)OC(C)(C)[C@H]5C7)[C@]4(C)[C@@]3(C)CC[C@]2(O)O1 ZINC000049898575 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H](C#N)N3[C@H]4CN5[C@@H](O[C@H](c6c(OC)c(C)c(OC)c(OC)c64)[C@H]3[C@@H]2N1C)c1ccccc1[C@@H]5C#N ZINC000049898576 KK Annotated Mild COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H](C#N)N3[C@H]([C@@H]4O[C@H]5c6ccccc6[C@H](C#N)N5C[C@H]3c3c(OC)c(OC)c(C)c(OC)c34)[C@@H]2N1C ZINC000049898577 KK Annotated Anodyne C=C(C)[C@H](OC(=O)C(C)C)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)C(C)C)C[C@]13O2)OC(=O)C(C)C ZINC000049898581 KK Annotated Mild COc1c(Cl)cc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000049898584 KK Annotated Anodyne COc1cc(-c2cc(OC)c(O)c3c2CC[C@@H](c2cc(O)c(OC)c(OC)c2)O3)c2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000049898602 KK Annotated Anodyne in-man C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049898603 KK Annotated Reactive C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049898604 KK Annotated Reactive C=C(c1ccc(OCCCOc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049898605 KK Annotated Reactive Oc1ccc([C@@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000049898608 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000049898615 KK Annotated Mild COc1cc2c(cc1OCCCCSc1nnc3n1S(=O)(=O)c1ccccc1N3c1ccccc1)N=C[C@@H]1CCCN1C2=O ZINC000049898619 KK Annotated Anodyne COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCC/C(O)=N/S(=O)(=O)C(F)(F)F)c3ncc(-c4ccc5ccccc5c4)[nH]3)c2c1 ZINC000049898631 KK Annotated Mild CNc1ccccc1C(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2OC)C1(C)C ZINC000049898635 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1 ZINC000049898657 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Br)cc2)C[C@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)[C@H]1c1ccc(OC)cc1 ZINC000049898658 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000049898659 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(Br)cc2)C[C@H](c2ccc(OC)cc2)N(c2ccc(Br)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000049898660 KK Annotated Anodyne C=C(C)[C@H](OC(=O)CC)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)CC)C[C@]13O2)OC(=O)CC ZINC000049898662 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]23C)C1(C)C ZINC000049898666 KK Annotated Anodyne CC(C)C(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000049898680 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)C1CC1)[C@@H](OC(=O)C1CC1)C(C)(C)O)C1=C2C[C@H](OC(=O)C3CC3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000049898683 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1)SS/C(=N/c1ccccc1)OCCN1C(=O)c2ccccc2C1=O ZINC000049898689 KK Annotated Reactive C#C/C=C\CCCCCCCCCCCCCC[C@H](O)/C=C/CCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049898708 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC[C@@H](O)/C=C/CCC/C=C\CCCCC#C[C@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000049898709 KK Annotated Mild c1cc2cc(c1)C[n+]1cn(c3ccccc31)Cc1cc3ccccc3nc1Oc1ccccc1Oc1nc3ccccc3cc1Cn1c[n+](c3ccccc31)C2 ZINC000049898721 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@]2(C)[C@@H](O)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@@]6(C(=O)O)CC[C@@H](C)[C@@](C)(O)[C@@H]56)[C@]4(C)CC[C@@H]23)ccc1O ZINC000049898727 KK Annotated Anodyne CCOC(=O)Nc1cc(COC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000049898728 KK Annotated Reactive CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4[C@@H](OC(=O)CC(C)(C)C(=O)O)C[C@]23C)O1 ZINC000049898730 KK Annotated Anodyne Cc1c(C(=O)/C=C/c2ccccc2)sc2nc3nc4c(c(-c5ccc(Cl)cc5)c3c(=O)n12)CCC/C4=C/c1ccc(Cl)cc1 ZINC000049898752 KK Annotated Mild COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1[C@H]2[C@@H]1c2cc(C)cc(O)c2C(=O)c2c1cc(OC)c(/C=C/C(C)C)c2O ZINC000049898753 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)[C@@H](CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]4(C)CC[C@H](C(C)(C)OC(C)=O)O4)[C@@H]12)C(C)(C)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000049898760 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOP(C)(=O)OCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64O5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4 ZINC000049898768 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CCN1C ZINC000049898771 KK Annotated Anodyne O=C(/C=C/c1ccccc1)O[C@@H]1Cc2c(O)cc3c(c2O[C@@H]1c1ccc(O)c(O)c1)[C@H]1c2c(O)cc(O)cc2O[C@@](c2ccc(O)c(O)c2)(O3)[C@@H]1O ZINC000049898774 KK Annotated Clean Cc1ccccc1/N=C(\OCCN1C(=O)c2ccccc2C1=O)SS/C(=N/c1ccccc1C)OCCN1C(=O)c2ccccc2C1=O ZINC000049898776 KK Annotated Reactive CCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(=O)CCC)C[C@]3(C)[C@H](C=C(C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(=O)CCC)[C@H]2[C@H]1C(C)C ZINC000049898778 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)/C=C/c1ccccc1)[C@@H]1CC(=O)C(C)=C([C@H]3OC(C)(C)O[C@@H]32)C1(C)C ZINC000049898798 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CCC(=O)NO)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049898807 KK Annotated Mild C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)/C(C)=C/C)[C@](C)([C@H]4CC(=O)O[C@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]14C)[C@@H]23 ZINC000049898808 KK Annotated Anodyne C/C=C(\C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2C3=C[C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(C)C ZINC000049898810 KK Annotated Anodyne Cc1c(-c2cccc(OCCCCCC(=O)O)c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000049898818 KK Annotated Anodyne CCCC[C@@H]1C[C@H]([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)O[C@H]1CN1CCC(N2C[C@H](C)O[C@H](C)C2)CC1 ZINC000049898826 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3c4c(cc(OC)c3OC)[C@H](C2)N(C)CC4)CCN1C ZINC000049898844 KK Annotated Anodyne C=C(C)[C@H](Cc1c(OC(C)=O)c(Cc2c(OC)c(C)c(OC(C)=O)c(C(C)=O)c2OC(C)=O)c(OC(C)=O)c(C(=O)CCC)c1OC(C)=O)OC(C)=O ZINC000049898883 KK Annotated Mild C=C(C)[C@@H](Cc1c(OC(C)=O)c(Cc2c(OC)c(C)c(OC(C)=O)c(C(C)=O)c2OC(C)=O)c(OC(C)=O)c(C(=O)CCC)c1OC(C)=O)OC(C)=O ZINC000049898884 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc(Cl)c1)SS/C(=N/c1cccc(Cl)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000049898892 KK Annotated Reactive C=C(CC[C@@H](C(=O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049898895 KK Annotated Mild C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(OO4)C4CC6CC(C4)CC5C6)cc3)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049898906 KK Annotated Reactive C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(OO4)C4CC6CC(C4)CC5C6)cc3)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049898907 KK Annotated Reactive C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@H]4COC5(OO4)C4CC6CC(C4)CC5C6)cc3)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000049898908 KK Annotated Reactive CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@@H](C/C=C(\C)CCC=C(C)C)OC(C)=O ZINC000049898910 KK Annotated Reactive NC(=O)c1cc(S(=O)(=O)NCc2ccc(Cl)cc2)c2c(c1)nc(NCc1ccccc1Cl)n2C[C@H]1CCCCC[C@H]1O ZINC000049899063 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1c(/N=C/c2ccccc2)cc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000049899097 KK Annotated Mild CC1=C2O[C@]34OC5(CCCCC5)O[C@@H]3C2=C(C(=O)C1=O)[C@@H]1O[C@H](CC[C@H](C)/C=C(\C)C[C@@H](C)C[C@@H]4C)[C@H](C)[C@H](O)[C@H]1C ZINC000049899380 KK Annotated Mild N#Cc1ccc(CN(Cc2ccc(C#N)cc2)c2ccc(NC(=O)c3ccc(NCCNC(=N)N)c(-c4ccc5ccccc5c4)c3)cc2)cc1 ZINC000049899381 KK Annotated Mild COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)/C(C)=C/CC/C(C)=C/C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000049899405 KK Annotated Mild COc1cc2c(c(O)c1OC)CCN(C)[C@H]2Cc1ccc(Oc2c3c(cc(OC)c2OC)-c2c(OC)c(OC)c(O)c4c2[C@H](C3)N(C)CC4)cc1 ZINC000049899406 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@]3(C)CC[C@H]([C@H](C)N(C)C)[C@@]3(C)C[C@@H]3O[C@@]32CC2=C[C@@H](OC(C)=O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC000049899414 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)[C@H]([C@@H]3C[C@@H]([C@@H]4OC4(C)C)O[C@@H]3OC(C)=O)CC[C@]2(C)[C@@H]2CC=C3C(C)(C)C(=O)C[C@H](O)[C@]3(C)[C@@H]12 ZINC000049899417 KK Annotated Anodyne Oc1ccc([C@@H]2[C@@H](c3cc(O)cc(O)c3)c3c(O)cc4c5c3[C@@H]2[C@H](c2ccc(O)cc2)c2c(O)cc(O)cc2[C@H]5[C@H](c2ccc(O)cc2)O4)cc1 ZINC000049899434 KK Annotated Anodyne CCOC(C)(C)[C@H]1O[C@]23C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]67C[C@@]57CC[C@]4(C)[C@H]2[C@H](C)C[C@H]1O3 ZINC000049899443 KK Annotated Anodyne CCCCCCCCCC[C@H](OC(C)=O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCC[C@@H]3C[C@@H](CC(C)=O)C(=O)O3)OC(C)=O)O2)O1 ZINC000049899445 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\Cc1ccccc1)SS/C(=N/Cc1ccccc1)OCCN1C(=O)c2ccccc2C1=O ZINC000049899455 KK Annotated Reactive C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)c2ccccc2)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049899458 KK Annotated Mild CCCC(=O)OC[C@H]1C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@@]4(C)O[C@@H]4[C@H]2[C@H]1OC(=O)CCC)C3(C)C ZINC000049899459 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000049899464 KK Annotated Anodyne in-man COc1ccc(/N=N/C(=N\c2nc(-c3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)co2)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 ZINC000049899477 KK Annotated Mild CC(C)C(=O)c1c(O)c([C@@H](C(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@@H](C(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000049899483 KK Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2Cl)CCC[C@]12[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000049899490 KK Annotated Mild C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cc3c2)cc1)[C@@H]1COC2(CCCC2)OO1 ZINC000049899494 KK Annotated Reactive C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000049899495 KK Annotated Reactive C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@H]5COC6(CCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCC2)OO1 ZINC000049899496 KK Annotated Reactive C=C[C@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(OCC)OCC ZINC000049899504 KK Annotated Mild C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(OCC)OCC ZINC000049899505 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)P(=O)(OCC)OCC ZINC000049899506 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000049899528 KK Annotated Mild CCOc1c2c3c(c(OC)c1OC)Oc1cc4c(cc1OC)CCN(C)[C@H]4Cc1ccc(OC)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000049899533 KK Annotated Anodyne CCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](OC(=O)CC(C)C)C[C@]3(C)[C@H](C=C(C)[C@H](O)[C@H](OC(C)=O)[C@H]3OC(=O)CCC)[C@H]2[C@H]1C(C)C ZINC000049899570 KK Annotated Anodyne O=C(O)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000049899571 KK Annotated Mild O=[P@@]1(C(c2ccncc2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049899575 KK Annotated Anodyne O=[P@@]1(C(c2ccncc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000049899576 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](OC(C)=O)C[C@H]2C(C)C)[C@@]1(C)C[C@@H](OC(C)=O)C(=O)C(C)(C)[C@@H]1C[C@@H]4OC(C)=O ZINC000049899603 KK Annotated Anodyne C=C(C)[C@H](OC(=O)C(C)C)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)C(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)C(C)C ZINC000049899607 KK Annotated Mild O=C(O)c1ccc(-c2c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c(-c4cccc(O)c4)c4ccc(n4)c(-c4cccc(O)c4)c4ccc2[nH]4)CC3)cc1 ZINC000049899609 KK Annotated Bother CCOc1ccc(OOc2ccc(OCC)c3cc4c(cc23)[C@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O ZINC000049899622 KK Annotated Reactive C=C1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)c2nc(oc2-c2ccccc2)-c2coc(n2)-c2csc(n2)-c2coc(n2)-c2nc1oc2C ZINC000049899627 KK Annotated Anodyne CCN(CC)CCNC(=O)c1cccc2c(Nc3cc(I)c(NS(C)(=O)=O)cc3OC)c3ccccc3nc12 ZINC000049899633 KK Annotated Clean C=C(C)[C@]12CC[C@]3(COC(C)=O)CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@]31O2 ZINC000049902557 KK Annotated Mild CCCCCCCC(=O)Oc1c(C)ccc(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)c1C(=O)O ZINC000049902569 KK Annotated Mild CC(C)CN(CCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCN(CC(C)C)CC(C)C)c2ccccc12)CC(C)C ZINC000049902639 KK Annotated Mild CC(C)(C)[C@H](O)c1ccc(C(=O)OCC(COC(=O)c2ccc([C@@H](O)C(C)(C)C)cc2)OC(=O)c2ccc([C@H](O)C(C)(C)C)cc2)cc1 ZINC000049902685 KK Annotated Anodyne CCc1c(-c2nnc(C3(c4ccc(Cl)cc4Cl)CC3)o2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000049902692 KK Annotated Anodyne O=C(Nc1cc(F)c(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(C(=O)O)cc2)cc1Cl)Nc1ccccc1Br ZINC000049902717 KK Annotated Anodyne C[S@@](=O)c1[nH]c2cc(Br)cc(Br)c2c1-c1c([S@](C)=O)[nH]c2cc(Br)cc(Br)c12 ZINC000049902728 KK Annotated Anodyne C[S@](=O)c1[nH]c2cc(Br)cc(Br)c2c1-c1c([S@](C)=O)[nH]c2cc(Br)cc(Br)c12 ZINC000049902729 KK Annotated Anodyne C[S@@](=O)c1[nH]c2cc(Br)cc(Br)c2c1-c1c([S@@](C)=O)[nH]c2cc(Br)cc(Br)c12 ZINC000049902732 KK Annotated Anodyne CCc1c(-c2nnc(C3(c4ccc(Cl)cc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 ZINC000049908013 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=N)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)CC1 ZINC000049908015 KK Annotated Anodyne COC(=O)CCCN(Cc1cc(O)c(O)c(Br)c1Br)C(=O)NCc1cc(O)c(O)c(Br)c1Br ZINC000049908023 KK Annotated Clean C/C(=C/SS/C=C(/C)n1c(C(=O)c2ccc(Br)cc2)noc1=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O ZINC000049908024 KK Annotated Reactive O=C1OC(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000049908058 KK Annotated Anodyne CS(=O)(=O)CCNCc1nc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)ccnc3c2)cs1 ZINC000049908059 KK Annotated Anodyne N#Cc1nc2ccc(OCCN(Cc3ccccc3C(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)cc2s1 ZINC000049908065 KK Annotated Mild CN(C)CCCCCCCNC(=S)N/N=C/c1c2ccccc2c(/C=N/NC(=S)NCCCCCCCN(C)C)c2ccccc12 ZINC000049908120 KK Annotated Mild NCCCCN(Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000049916456 KK Annotated Mild NCCCN(Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1)Cc1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000049916475 KK Annotated Mild CC1(C)CCC(C)(C)c2c1ccc(C1CCN(CCCCNC(=O)c3ccc(-c4ccc(C#N)cc4)cc3)CC1)c2OCC(N)=O ZINC000049917517 KK Annotated Mild CN1CCN(CCCN(Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)C(=O)c2cc(F)cc(F)c2)CC1 ZINC000049917518 KK Annotated Anodyne C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](Br)C(C)(C)OC(=O)c3ccc(O)c(c3)C[C@H]12 ZINC000049917538 KK Annotated Reactive C/C=C1\CN2CC[C@@]34c5ccccc5N5[C@@H]6O[C@@H](N7c8ccccc8[C@]89CCN%10C/C(=C\C)[C@H](C[C@H]%108)[C@H]6[C@H]79)[C@@](OC)([C@H]1C[C@H]23)[C@H]54 ZINC000049917566 KK Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1cc(Br)ccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049917572 KK Annotated Anodyne O=C(Nc1ccc(CC(=O)N2CCc3cc(Cl)c(N4CCN(C/C=C/c5ccccc5)CC4)cc32)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000049917573 KK Annotated Bother COc1cc(/C=C/C(=O)NC[C@@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)cc(OC)c1 ZINC000049917605 KK Annotated Anodyne COc1cc(/C=C/C(=O)NC[C@H](CCNc2cc(=O)c3ccccc3[nH]2)NCc2cc(Br)cc(Br)c2)cc(OC)c1 ZINC000049917606 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2)[C@@H](C)c2nc3ccccc3c(=O)n2-c2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000049917645 KK Annotated Bother Cc1ccc(C(=O)N(CCc2ccccc2)[C@H](C)c2nc3ccccc3c(=O)n2-c2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000049917646 KK Annotated Bother Cn1nccc1C(=O)NCCNCc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000049917700 KK Annotated Anodyne CN(C)CCCOc1c(C(C)(C)C)cc(-c2cc(C(C)(C)C)c(OCCCN(C)C)c(C(C)(C)C)c2)cc1C(C)(C)C ZINC000049917707 KK Annotated Anodyne Cc1cnc(CN(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)C(=O)c2nn(-c3ccccc3)nc2C)cn1 ZINC000049917741 KK Annotated Anodyne CCCCN(CCCC)CCCN(CCCN(CCCC)CCCC)c1cc(C)nc(Nc2ccc(Br)cc2)n1 ZINC000049917747 KK Annotated Anodyne CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@@H]4CC(=O)c5ccccc54)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917761 KK Annotated Anodyne CS(=O)(=O)c1ccc(CCNCc2ccc(-c3ccc(CN(C(=O)[C@H]4CC(=O)c5ccccc54)C4CCN(Cc5ccccc5)CC4)cc3)nc2)cc1 ZINC000049917762 KK Annotated Anodyne CCc1ccc(NC(=O)N(CCCn2ccnc2)Cc2csc(-c3ccc(CNCc4ccccc4)cc3)n2)cc1 ZINC000049917777 KK Annotated Anodyne N#Cc1ccc(N(CCOC(=O)c2ccc(Br)s2)Cc2ccccc2C(F)(F)F)cc1C(F)(F)F ZINC000049917782 KK Annotated Mild CCCC(=O)Nc1ccc(OCCCN(Cc2cccc(C(F)(F)F)c2)c2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000049917845 KK Annotated Mild O=C(NCCCCN1CCC(c2ccc3c(c2OC[C@H](O)c2ccc(Cl)cc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917872 KK Annotated Anodyne O=C(NCCCCN1CCC(c2ccc3c(c2OC[C@@H](O)c2ccc(Cl)cc2)CCCC3)CC1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000049917873 KK Annotated Anodyne COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCCN4CCCC[C@H]4C)c3)ccc2c1 ZINC000049917883 KK Annotated Anodyne COc1ccc2cc(-c3nc(-c4c(Cl)cccc4Cl)[nH]c3-c3ccnc(NCCCN4CCCC[C@@H]4C)c3)ccc2c1 ZINC000049917884 KK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1N(Cc1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049917893 KK Annotated Bother CCCCOP(=O)(OCCCC)C(=Cc1ccc(O)c2ccccc12)P(=O)(OCCCC)OCCCC ZINC000049917913 KK Annotated Anodyne CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OCCCCN/C(N)=N/O)cc23)[C@@H](CC)C1 ZINC000049917936 KK Annotated Mild COc1ccc(CCN(C)CCOc2ccc(NC(=O)COc3ccc4sc5ccccc5c(=O)c4c3)cc2)cc1OC ZINC000049917954 KK Annotated Bother COc1cc(CNCCC(C)C)ccc1OCc1cccc(COc2ccc(CNCCC(C)C)cc2OC)c1 ZINC000049917968 KK Annotated Anodyne O=C(Nc1nc2cc(S(=O)(=O)NCc3ccc(Cl)c(Cl)c3)ccc2n1CCCN1CCCC1)c1ccc(Cl)cc1 ZINC000049917973 KK Annotated Anodyne COC(=O)c1c(C#N)c(OC)cc(O)c1CSC[C@@H](CN1CCCCC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000049917981 KK Annotated Mild CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c(Oc2ccc(OC)c(Cc3ccc(OC)c(C(C)C)c3)c2)c([N+](=O)[O-])c1)NC(=O)C(F)(F)F ZINC000049917989 KK Annotated Bother CCCC(=O)Nc1ccc(OCCN(Cc2ccccc2OC(F)(F)F)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000049917991 KK Annotated Mild C(#Cc1ccccc1)C[N+]1(CC#Cc2ccc(C#CC[N+]3(CC#Cc4ccccc4)CCCCC3)cc2)CCCCC1 ZINC000049918023 KK Annotated Mild Cc1cnc(-c2ccc(NC(=O)N3CCc4cc5nccc(N6CCN7CCC[C@H]7C6)c5cc43)c3ccccc23)o1 ZINC000049918045 KK Annotated Anodyne CCNC(=O)N(CCCCOc1ccc(C(C)(C)CC)cc1C(C)(C)CC)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000049918097 KK Annotated Anodyne CNCCN(C)C(=O)Oc1c(Br)c(C)nc(C)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000049918102 KK Annotated Anodyne CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)s3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049918120 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(CCSC(C)(C)C)Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)cc1F ZINC000049918151 KK Annotated Anodyne CCc1ccc(CN2CCC(CN(c3ccc(N4CCOCC4)c(F)c3)S(=O)(=O)c3ccc(C(C)(C)CC)cc3)CC2)cc1 ZINC000049918162 KK Annotated Anodyne N#Cc1ccc2c(c1)CCN(CCC1CCC(NC(=O)/C=C/c3c[nH]c4c(Br)cccc34)CC1)CC2 ZINC000049918166 KK Annotated Mild COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1F ZINC000049918169 KK Annotated Anodyne COc1ccc(C(=O)CCC(=O)N(Cc2ccc(-c3ccc(CNCCc4ccc(S(C)(=O)=O)cc4)cn3)cc2)[C@H]2C[C@H]3CC[C@@H]2C3)cc1F ZINC000049918170 KK Annotated Anodyne CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)o2)C(=O)Cn2c(CCc3cccc(F)c3F)nc(=O)c3ccccc32)CC1 ZINC000049918171 KK Annotated Anodyne CCN(CC)/C(=N/c1ccc(Cl)cc1)NC(=N)NCCCCCCNC(=N)/N=C(\Nc1ccc(Cl)cc1)N(CC)CC ZINC000049918204 KK Annotated Mild CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)NCCc3ccccc3)c2)CC1 ZINC000049918250 KK Annotated Anodyne CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCCCC[N+]34CCN(CC3)CC4)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049918253 KK Annotated Bother CCCCCCCNC(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 ZINC000049918254 KK Annotated Mild CCN(C(=O)c1cn(-c2cc(OC)cc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)c2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049918255 KK Annotated Bother CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049918256 KK Annotated Bother CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCCCCCCCC[N+]34CCN(CC3)CC4)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049918257 KK Annotated Bother CCN(C(=O)c1cn(-c2cc(OC)cc(OCCCCCCCC[N+]34CCN(CC3)CC4)c2)c2cc(OC)ccc2c1=O)c1cc(F)cc(F)c1 ZINC000049918260 KK Annotated Bother CCCCCC(=O)O[C@@H]1[C@H](OC[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)O[C@H](C)[C@@H](OC)[C@H]1OC(=O)CCCCC ZINC000049918304 KK Annotated Mild O=S(=O)(NS(=O)(=O)N1CCc2ccc(C(F)(F)F)c(C(F)(F)F)c2C1)N1CCc2ccc(C(F)(F)F)c(C(F)(F)F)c2C1 ZINC000049918352 KK Annotated Mild O=S(=O)(NS(=O)(=O)N1CCc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1)N1CCc2c(Cl)c(Cl)c(Cl)c(Cl)c2C1 ZINC000049918360 KK Annotated Anodyne CCc1nn(-c2cc(Cl)cc(Cl)c2)c2nc(Oc3ccc4c(N(C)C)cc(=O)oc4c3)nc(N)c12 ZINC000049926541 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000049926738 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(-c2cccs2)cc1 ZINC000049926753 KK Annotated Mild CC[N+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N+](C)(CC)Cc1ccccc1Cl)Cc1ccccc1Cl ZINC000049932119 KK Annotated Bother CC[N+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N+](C)(CC)Cc1ccccc1C)Cc1ccccc1C ZINC000049932128 KK Annotated Bother CCCCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932152 KK Annotated Mild CCCCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932153 KK Annotated Mild CCCCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932154 KK Annotated Mild CCCCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932155 KK Annotated Mild CCCCCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932156 KK Annotated Mild CCCCCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932157 KK Annotated Mild CCCCCCCCCO[C@@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932158 KK Annotated Mild CCCCCCCCCO[C@H](c1ccc2c(c1)OCO2)[C@H](OC)Oc1ccc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1OC ZINC000049932159 KK Annotated Mild C[C@@]12CC[C@@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)[C@@H](N=[N+]=[N-])[C@@]1(C)[C@@H](CC[C@@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000049932166 KK Annotated Clean C[C@@]12CC[C@@H]3[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)Cc1nc3c(nc1C2)[C@@H](N=[N+]=[N-])[C@@]1(C)[C@@H](CC[C@H]2[C@]4(C)CC[C@H](O)[C@@]4(C)CC[C@@]21C)C3 ZINC000049932168 KK Annotated Clean Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049932180 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049932181 KK Annotated Mild CC[N+](C)(CCCCCC(=O)N(CCCCCCCCN(C(=O)CCCCC[N+](C)(CC)Cc1ccccc1OC)C(C)C)C(C)C)Cc1ccccc1OC ZINC000049932875 KK Annotated Bother C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@@H]4[C@]3(C)CC[C@H]12)c1ccccc1OC ZINC000049932908 KK Annotated Anodyne C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2([C@@H](C)OC(C)=O)COCC=C[C@H]12)c1ccccc1 ZINC000049932948 KK Annotated Mild C=C(C[C@]1(O)C(C)=C[C@@H](OC(C)=O)[C@]2(C)[C@@H]3[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]4([C@@H](C)OC(C)=O)COCC=C[C@@H]4[C@]3(C)CC[C@@H]12)c1ccccc1 ZINC000049932949 KK Annotated Mild CC(=O)[C@]1(C(=O)Nc2ccccc2)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000049933019 KK Annotated Reactive CC(=O)[C@@]1(C(=O)Nc2ccccc2)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000049933020 KK Annotated Reactive CC(=O)[C@@]1(C(=O)Nc2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] ZINC000049933021 KK Annotated Reactive COC(=O)C[C@@H]1c2ccccc2N/C(=N\c2ccc(-c3ccccc3)cc2)N1CCCCCNC(=O)OC(C)(C)C ZINC000049933043 KK Annotated Mild COC(=O)C[C@H]1c2ccccc2N/C(=N\c2ccc(-c3ccccc3)cc2)N1CCCCCNC(=O)OC(C)(C)C ZINC000049933044 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1 ZINC000049933052 KK Annotated Mild NCCCCCN1/C(=N/c2ccc(-c3ccccc3)cc2)Nc2ccccc2[C@H]1CC(=O)NCc1ccccc1 ZINC000049933074 KK Annotated Mild NCCCCCN1/C(=N/c2ccc(-c3ccccc3)cc2)Nc2ccccc2[C@@H]1CC(=O)NCc1ccccc1 ZINC000049933075 KK Annotated Mild CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 ZINC000049933097 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)C(C)=C[C@H]1C ZINC000049933098 KK Annotated Anodyne C[n+]1ccc(/C=C/c2cc3[nH]c2c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1 ZINC000049933135 KK Annotated Bother C=C1C[C@H](/C=C/c2csc(C)n2)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000049933380 KK Annotated Mild C=C1C[C@H](O)[C@@H]2O[C@H]2C[C@@H]([C@@H](O)/C=C/[C@@H]2CC(C)=CCO2)OC(=O)/C=C\C[C@@H]2C=CC[C@@H](C[C@H](/C=C/c3csc(C)n3)C1)O2 ZINC000049933381 KK Annotated Mild CCCCCCCCCCCCCCC(COC(=O)C[n+]1ccccc1)(COC(=O)C[n+]1ccccc1)COC(=O)C[n+]1ccccc1 ZINC000049933388 KK Annotated Mild C=C1C[C@H](/C=C/C2CCCCC2)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@@H](O)/C=C/[C@@H]3CC(C)=CCO3)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 ZINC000049933395 KK Annotated Mild CC1=C[C@H](OP(=O)(O)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=C/C1=C(C)C[C@@H](OP(=O)(O)O)CC1(C)C ZINC000049937006 KK Annotated Anodyne CC1=C[C@H](OP(=O)(O)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=C/C1=C(C)C[C@H](OP(=O)(O)O)CC1(C)C ZINC000049937007 KK Annotated Anodyne CC1=C[C@H](OP(=O)(O)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=C/C1=C(C)C[C@@H](OP(=O)(O)O)CC1(C)C ZINC000049937008 KK Annotated Anodyne CC1=C[C@H](OP(=O)(O)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=C/C1=C(C)C[C@H](OP(=O)(O)O)CC1(C)C ZINC000049937009 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(Cl)(Cl)=N[P@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000049937573 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(Cl)(Cl)=N[P@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000049937574 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(Cl)(Cl)=N[P@@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000049937575 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(Cl)(Cl)=N[P@@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000049937576 KK Annotated Reactive CC/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)C[C@H]1C ZINC000049937597 KK Annotated Anodyne [N-]=[N+]=Nc1ccc(I)cc1C(=O)OCC/C=C\CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000049937598 KK Annotated Mild C[C@H](NC(=O)Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938036 KK Annotated Reactive C[C@@H](NC(=O)Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938038 KK Annotated Reactive C[C@H](NC(=O)Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938041 KK Annotated Reactive C[C@@H](NC(=O)Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938043 KK Annotated Reactive COc1cc(-c2c3ccc(cc4ccc([nH]4)c(-c4cc(OC)c(OC)c(OC)c4)c4ccc(cc5ccc2n5)[nH]4)n3)cc(OC)c1OC ZINC000049938058 KK Annotated Bother C[C@H](NC(=O)c1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938154 KK Annotated Reactive C[C@@H](NC(=O)c1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938156 KK Annotated Reactive C[C@H](NC(=O)c1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938159 KK Annotated Reactive Oc1cc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc(O)c1O ZINC000049938163 KK Annotated Clean c1ccc2cc(CN(CCCCNCCCN(Cc3ccc4ccccc4c3)Cc3cccc4ccccc34)Cc3cccc4ccccc34)ccc2c1 ZINC000049938183 KK Annotated Anodyne CC(C)(C)c1ccc(SCCN)c(NC(=O)c2cc(C(=O)Nc3cc(C(C)(C)C)ccc3SCCN)c(OCCN)cc2OCCN)c1 ZINC000049938210 KK Annotated Anodyne C[C@H](NC(=O)c1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938289 KK Annotated Reactive C[C@@H](NC(=O)c1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938291 KK Annotated Reactive C[C@H](NC(=O)c1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938293 KK Annotated Reactive C[C@@H](NC(=O)c1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000049938295 KK Annotated Reactive C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCCCN/C(O)=N/S(=O)(=O)CCCC(F)(F)C(F)(F)F ZINC000049938375 KK Annotated Mild CCOC(=O)CCC(F)(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1 ZINC000049938395 KK Annotated Mild CCOC(=O)CCC(F)(C(=O)/C=C/c1ccc(O[C@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000049938396 KK Annotated Mild CCOC(=O)CCC(F)(C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1)C(=O)/C=C/c1ccc(O[C@@H]2CCCCO2)c(OC)c1 ZINC000049938397 KK Annotated Mild COc1ccc([C@H]2CC(=O)N(c3cccc(NS(=O)(=O)c4cc(Br)c(Cl)s4)c3)C2)cc1OC1CCCC1 ZINC000049938404 KK Annotated Anodyne CC(C)CN([C@H](CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000049938407 KK Annotated Anodyne COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(OC)c(C)c(OC)c(O)c4[C@H](CNC(=O)c4cc5cc(OC6CCOCC6)ccc5o4)N3C[C@H](C2)N1C ZINC000049938436 KK Annotated Clean COc1ccc(CNCc2c(-c3n[nH]cc3-c3ccccc3)[nH]c3cc(C(=O)N(C)CC(C)C)ccc23)cc1 ZINC000049938521 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC[C@H]1CCSS1 ZINC000049938536 KK Annotated Reactive CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000049942227 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000049942228 KK Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C(CNc1ccccn1)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000049942235 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049942237 KK Annotated Anodyne C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@@H](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049942243 KK Annotated Mild C[C@]1(c2ccc(O)cc2)CSc2cc(O)ccc2[C@H]1CCCCCCCC[C@H](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O ZINC000049942244 KK Annotated Mild C[C@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049942250 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@H]1CCCN1C[C@H](CC1CCCCC1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049942251 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000049942261 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000049942262 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000049942263 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000049942264 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049942265 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000049942266 KK Annotated Anodyne CC(C)C[C@H](NC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O ZINC000049942272 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000049942293 KK Annotated Anodyne CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCCCCCCCCCC(=O)O)CC1 ZINC000049942294 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000049942296 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000049942297 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000049942320 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000049942321 KK Annotated Anodyne CCN1C(N2CCCCC2)=Nc2ccccc2[C@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942342 KK Annotated Anodyne in-vivo CCN1C(N2CCCCC2)=Nc2ccccc2[C@@H]1CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000049942343 KK Annotated Anodyne in-vivo O=C(N[C@@H](Cc1ccccc1)[C@H](Cc1ccccc1)n1cc(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nn1)OC1CCCC1 ZINC000049942456 KK Annotated Anodyne CC[C@H]1C[C@@H]2C[C@H]3c4[nH]c5cc([C@@H]6C[C@@H]7[C@H](CC)CN(C)[C@H](Cc8c6[nH]c6ccccc86)[C@@H]7C(=O)OC)c(OC)cc5c4CCN(C2)[C@@H]13 ZINC000049942466 KK Annotated Anodyne COc1cc2c(cc1OCCC(=O)Nc1ccc3oc(C(=O)Nc4cc(N)c5ccccc5c4CCCl)cc3c1)N=C[C@@H]1CCCN1C2=O ZINC000049942483 KK Annotated Reactive Brc1ccc2[nH]cc(C(c3cn(-c4ccccc4)nc3-c3ccccc3)c3c[nH]c4ccc(Br)cc34)c2c1 ZINC000049942512 KK Annotated Anodyne COC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@]23C)C1(C)C ZINC000049942604 KK Annotated Anodyne Cc1c(CC(=O)O)c(=O)oc2cc(NC(=O)COc3ccccc3-c3ccc(CC4CCCCC4)c(F)c3F)ccc12 ZINC000049942609 KK Annotated Anodyne Cc1c(CC(=O)O)c(=O)oc2cc(NC(=O)COc3ccccc3-c3ccc(CC(C)C)c(F)c3F)ccc12 ZINC000049942610 KK Annotated Anodyne CCCCc1ccc(-c2ccccc2OCC(=O)Nc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2)c(F)c1F ZINC000049942620 KK Annotated Anodyne CCCCCCCCCCCCC/C=C\C(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)[C@@H]1COC(c2ccccc2O)=N1 ZINC000049942647 KK Annotated Mild CCCCCCCCCCC/C=C\C(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)[C@@H]1COC(c2ccccc2O)=N1 ZINC000049942654 KK Annotated Mild COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)/C=C3/O[C@@](C)(C[C@@H]31)/C1=C/C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](O)CC/C(C)=C/[C@H]12 ZINC000049942658 KK Annotated Anodyne C1=Nc2ccccc2NC=C(CCC[n+]2ccc(-c3ccncc3)cc2)C=Nc2ccccc2NC=C1CCC[n+]1ccc(-c2ccncc2)cc1 ZINC000049942777 KK Annotated Anodyne CC[C@H](C)C(=O)N[C@H]1CC=C2C[C@H]3C(=O)C[C@]4(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@H]2[C@]1(C)/C=N/Cc1ccccc1 ZINC000049946819 KK Annotated Mild CCCCOC(=O)N1c2ccc(C(F)(F)F)cc2N([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@@H]1CC ZINC000049946832 KK Annotated Mild CCCCOC(=O)N1c2ccc(C(F)(F)F)cc2N([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1CC ZINC000049946833 KK Annotated Mild CCCCCCCCCC[C@H](O)COCCOC[C@@H](O)CCCCCCCCCCCCC1=C[C@H](C)N(CCCNC(=O)C(F)(F)F)C1=O ZINC000049946849 KK Annotated Mild CC[C@@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)NCCO ZINC000049946892 KK Annotated Mild CC[C@H]1CN([C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)NCCO ZINC000049946893 KK Annotated Mild CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000049946927 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2cc([C@H]3[C@H]([N+](=O)[O-])[C@@H](c4ccccc4Br)CCN3Cc3cccnc3)ccc2O)cc1 ZINC000049946978 KK Annotated Bother C=C1[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@@H](C)[C@@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000049946991 KK Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)[C@@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000049946992 KK Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@@H](C)[C@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000049946993 KK Annotated Mild C=C1[C@@H](OC(C)=O)C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@H](C)[C@H](C)O)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000049946994 KK Annotated Mild Cc1c(C)c2c(c(C)c1OCc1c(S(=O)(=O)c3ccccc3)no[n+]1[O-])CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000049946999 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCc1c(S(=O)(=O)c3ccccc3)no[n+]1[O-])CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000049947000 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)NCCN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)CCCCCCCCCCCCCCC ZINC000049947004 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]23C(=O)O[C@@](C)(CCCC(C)C)[C@@H]13 ZINC000049947026 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCCCCc1cn([C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC)nn1 ZINC000049947029 KK Annotated Mild COc1ccc(C2=C(c3ccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)cc3)C(=O)N3CCC[C@@H]3C2)cc1 ZINC000049949645 KK Annotated Reactive COc1ccc(C2=C(c3ccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)cc3)C(=O)N3CCC[C@H]3C2)cc1 ZINC000049949646 KK Annotated Reactive C[C@@H](O[C@@H]1CN(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)C[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000049949656 KK Annotated Mild CO[C@H](C=C(C)C)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC)C=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000049949678 KK Annotated Anodyne C[C@H](CC[C@](C)(O)C(C)(C)C)[C@@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3 ZINC000049949690 KK Annotated Anodyne C[C@H](CC[C@@](C)(O)C(C)(C)C)[C@@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3 ZINC000049949691 KK Annotated Anodyne C[C@H](CC[C@](C)(O)C(C)(C)C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3 ZINC000049949692 KK Annotated Anodyne C[C@H](CC[C@@](C)(O)C(C)(C)C)[C@H]1CC[C@@]2(C(=O)O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3 ZINC000049949693 KK Annotated Anodyne Oc1cccc([C@@H](c2cc(Cl)c(O)c(Cl)c2)C(c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)c1Cl ZINC000049949698 KK Annotated Anodyne Oc1cccc([C@H](c2cc(Cl)c(O)c(Cl)c2)C(c2cc(Cl)c(O)c(Cl)c2)c2cc(Cl)c(O)c(Cl)c2)c1Cl ZINC000049949699 KK Annotated Anodyne CN1[C@H]2CC[C@@H]1/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)/C2=C/c1cc(Br)c(O)c(Br)c1 ZINC000049952191 KK Annotated Mild Cc1ccc(C)c(N2CCN(Cc3nnn([C@@H](Cc4ccccc4)[C@H](Cc4ccccc4)NC(=O)OC4CCCC4)c3[C@H](C)O)CC2)c1 ZINC000049952338 KK Annotated Anodyne CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CNC(=O)CNCCCN(CCCN)CCCN ZINC000049952344 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049952353 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049952354 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049952355 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049952386 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049952387 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049952388 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049952389 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049952390 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000049952391 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049952392 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\F)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000049952393 KK Annotated Mild Cc1cc2c(cc1C)COc1ccccc1C(=O)N(c1ccccc1)c1ccc(cc1)OCCSc1ccccc1NC(=O)c1ccccc1OC2 ZINC000049952411 KK Annotated Anodyne CCCCCC[C@H](C)/C=C(C)/C=C/C(=O)N[C@]1(C=O)C[C@H]2C[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]4C(=C1C(=O)C1=C[C@@H](O)CC[C@@]14C)[C@@]23O ZINC000049952412 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3ccccc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000049952424 KK Annotated Mild O=C(O)c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)/C(=N\c3ccc(Cl)cc3)S2)cc1 ZINC000000709854 KK Annotated Mild COc1cc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)CS[C@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000000746144 KK Annotated Anodyne COc1cc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000000746145 KK Annotated Anodyne COc1cc(C(=O)N2[C@H](c3ccc(C(C)(C)C)cc3)SC[C@H]2C(=O)Nc2ccccc2F)cc(OC)c1OC ZINC000000746146 KK Annotated Anodyne COc1cc(C(=O)N2[C@H](C(=O)Nc3ccccc3F)CS[C@@H]2c2ccc(C(C)(C)C)cc2)cc(OC)c1OC ZINC000000746147 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000756219 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000756269 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000756270 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000756271 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756288 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756289 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756290 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756291 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000756308 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000756309 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000756312 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000756313 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756330 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756331 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756332 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000756333 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000756338 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000756339 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000756340 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000756341 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000000758237 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000000758238 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758291 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758292 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758293 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758294 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758295 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758350 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758351 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758352 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000758353 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000000758364 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000000758365 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000758400 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000758401 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758449 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758450 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758451 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758452 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758455 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758456 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758459 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758460 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758463 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758464 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758551 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758552 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758553 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758554 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758567 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758568 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758569 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758570 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758597 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000758598 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758637 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000758638 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758653 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758654 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758655 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758656 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758657 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000758658 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758659 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758660 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758663 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758664 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758665 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N3CCOCC3)ccc2O1 ZINC000000758666 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758667 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000758668 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758681 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758682 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000758685 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760081 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000760082 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760093 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760094 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000000760107 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000000760108 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000000760109 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000000760110 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760111 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760112 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760113 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760114 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760115 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760116 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760119 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760120 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760121 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760122 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760123 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000760124 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000760125 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000760126 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000760127 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000760128 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760129 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760130 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760131 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000760132 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760133 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760134 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760135 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000760136 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000760137 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000760138 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000760139 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000760140 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000760175 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000760176 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000760177 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000760178 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000760199 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000760200 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760227 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760228 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760229 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760230 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760231 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760232 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760233 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760234 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000760235 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000760236 KK Annotated Anodyne Cc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000760237 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000760258 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000760259 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000760260 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000760261 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000760262 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000000760263 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000000760264 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000760273 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000760274 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000000760275 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000000760276 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000760277 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000760278 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000760279 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000760280 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760281 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760282 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760283 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760284 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000000760285 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000000760286 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000000760287 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)c1 ZINC000000760288 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760289 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000760290 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760291 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000760292 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760351 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760352 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760353 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760354 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760355 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760356 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760357 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760358 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760636 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760637 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760638 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000760639 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000760644 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000760645 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000760646 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000760647 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000000760653 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760658 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760659 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760660 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000760661 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760674 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760675 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760676 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)Nc2ccccc2-c2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000760677 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000000760683 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000760720 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000760721 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000760722 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000760723 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763026 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763027 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763028 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763033 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2ccccc2-c2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763034 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763043 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763044 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763045 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763046 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763047 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763048 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763049 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1OC ZINC000000763050 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763059 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763060 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763061 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763062 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000763065 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2F)c2cc(C(N)=O)ccc2O1 ZINC000000763066 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763067 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763068 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763069 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)CCc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763070 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763071 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 ZINC000000763072 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763073 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763074 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763090 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000763091 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763107 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763108 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763109 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763110 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763111 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763112 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763133 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763134 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763135 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763136 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763137 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763138 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763139 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763140 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763173 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763174 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763175 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763176 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763205 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763206 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763207 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763208 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763209 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763210 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763211 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763212 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763213 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763214 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763215 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763216 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763217 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763218 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763219 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763220 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763221 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763222 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763223 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)c1 ZINC000000763224 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763225 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763226 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763227 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763228 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763249 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763250 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000000763257 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC1(CCCCC1)O2 ZINC000000763258 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763267 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCOCC4)cc32)cc1 ZINC000000763268 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763271 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCOCC3)cc21 ZINC000000763272 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763283 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763284 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763285 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000000763286 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763287 KK Annotated Anodyne NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000763288 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763297 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763298 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763299 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763300 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763301 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC1(CCCCC1)O2)N1CCOCC1 ZINC000000763302 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763311 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763312 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763313 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763314 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763315 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763316 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763317 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763318 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763319 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763320 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763321 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1OC ZINC000000763322 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763323 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000763324 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763343 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763344 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763347 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCOCC3)ccc1O2 ZINC000000763348 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764850 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764851 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764852 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764853 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764854 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764855 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764856 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764857 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000764858 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000764859 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000764860 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000764861 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764878 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764879 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764880 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764881 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764882 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764883 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764884 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)NCCc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000764885 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764941 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764942 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764943 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764944 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764945 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764946 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764947 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764948 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764949 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764950 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764951 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000764952 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000764953 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000764954 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000764955 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000764956 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764963 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764964 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764965 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764966 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764967 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764968 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764969 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764970 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764971 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764972 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764973 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000764974 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764979 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764980 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764981 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)c1 ZINC000000764982 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764983 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764984 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764985 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764986 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000764987 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000764988 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000764989 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000764990 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764991 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764992 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764993 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)CCc2ccccc2)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000764994 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000764999 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000765000 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000765001 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)c1 ZINC000000765002 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000765003 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000765004 KK Annotated Anodyne CC1(C)C[C@@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000765005 KK Annotated Anodyne CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000765006 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000000765007 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000000765008 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000000765009 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)c1 ZINC000000765010 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)c1 ZINC000000765012 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000000765328 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000000765329 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000000765330 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(=O)c2ccccc2F)CC(C)(C)O3)cc1OC ZINC000000765331 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765350 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765351 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000765352 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000765353 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)/C(S)=N/c1cccc(C)c1)CC(C)(C)O2 ZINC000000765370 KK Annotated Mild Cc1cccc(N=C(S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000765383 KK Annotated Mild Cc1cccc(N=C(S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000765384 KK Annotated Mild Cc1cccc(N=C(S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000765403 KK Annotated Mild CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000765420 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000765421 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000000765428 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)Nc1ccccc1-c1ccccc1)CC(C)(C)O2 ZINC000000765429 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765430 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765431 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000765432 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000765433 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765434 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000000765435 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000765438 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)c1 ZINC000000765439 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000765462 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000765463 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000765474 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000765475 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000765476 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000765477 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000765502 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000765503 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000000765504 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1 ZINC000000765505 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000765534 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4)cc32)cc1 ZINC000000765535 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000765544 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000765545 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000765554 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4F)cc32)cc1 ZINC000000765555 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000765590 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000765591 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000765594 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000000765595 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000765596 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000000765597 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000767018 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000767019 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000000767280 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000000767281 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767336 KK Annotated Bother O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000767338 KK Annotated Bother COc1cc(Br)c([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000767750 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000767751 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(S)=Nc1ccc(C)c(Cl)c1)c1cc(C(N)=O)ccc1O2 ZINC000000768103 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768108 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768109 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768110 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768111 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000768182 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)c1 ZINC000000768183 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(N)=O)ccc1O2 ZINC000000768204 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1F)c1cc(C(N)=O)ccc1O2 ZINC000000768205 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768206 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)CCc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768207 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768208 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)COc1ccccc1)c1cc(C(N)=O)ccc1O2 ZINC000000768209 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768234 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(N)=O)cc32)cc1 ZINC000000768235 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768394 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768395 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768396 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000768397 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@@H](C)c2cccc3ccccc23)cc1OC ZINC000000768427 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000768520 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000768521 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000768522 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000768523 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000000768545 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000768615 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000768616 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000768696 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000768740 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000768806 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000768838 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000768839 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000768842 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000768843 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000768846 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000768847 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000768858 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000768860 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000768870 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000768871 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000768874 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000768875 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000768878 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000768879 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000768918 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000768920 KK Annotated Bother CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000769010 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000769011 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000000769014 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000000769015 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000769074 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000769075 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000769120 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000769121 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000000769180 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000000769181 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000000769184 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000769198 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000769199 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000769202 KK Annotated Anodyne CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000000769595 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1OC ZINC000000769893 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1OC ZINC000000769895 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)c1 ZINC000000769897 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)c1 ZINC000000769899 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000000769901 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc(OC)c1 ZINC000000769903 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1OC ZINC000000769993 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1OC ZINC000000769995 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)c1 ZINC000000769997 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)c1 ZINC000000769999 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000000770001 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc(OC)c1 ZINC000000770003 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(F)cc2Cl)cc1OC ZINC000000770264 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(F)cc2Cl)cc1OC ZINC000000770266 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccc(Cl)cc2F)cc1OC ZINC000000770369 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2ccc(Cl)cc2F)cc1OC ZINC000000770371 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770513 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770515 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1Br ZINC000000770536 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H]1C(=O)NCc1ccccc1Br ZINC000000770538 KK Annotated Bother CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000770576 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3)ccc2O1 ZINC000000770577 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000770584 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3N)ccc2O1 ZINC000000770585 KK Annotated Anodyne CC1(C)C[C@@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000770592 KK Annotated Anodyne CC1(C)C[C@H](N(CCCN2CCCC2=O)C(=O)c2ccccc2F)c2cc(C(=O)NCc3ccccc3F)ccc2O1 ZINC000000770593 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000770618 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000770619 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000770620 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000770621 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000770656 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000770657 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000770658 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000770659 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000770668 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000770670 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000770672 KK Annotated Anodyne Cc1ccc(C(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000770673 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000770690 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000770691 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000770692 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000770693 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000770694 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000770695 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000770696 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000770697 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000770712 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000770714 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000770715 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000770716 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000770717 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000770718 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000770719 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000770721 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000770723 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000000770751 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000770752 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCc1ccccc1Br ZINC000000770754 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2F)[C@H]1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000000770781 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771022 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771023 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771024 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771025 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771026 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771027 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771028 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771029 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771030 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771031 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771032 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771033 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000771066 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000771067 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000771068 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000771069 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000771070 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000771071 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000771072 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000771073 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000771074 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000771075 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000771076 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000771077 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000771078 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000771079 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000771080 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000771081 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000771082 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000000771083 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000771084 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000771085 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000771086 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000000771087 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000771088 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000771089 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000000771090 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)c1 ZINC000000771091 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771122 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771123 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771124 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771125 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771134 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771135 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771148 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771149 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771150 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771151 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771168 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771169 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771170 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)NCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771171 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](NCCc2ccccc2F)CC(C)(C)O3)cc1OC ZINC000000771180 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](NCCc2ccccc2F)CC(C)(C)O3)cc1OC ZINC000000771181 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771188 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771189 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771190 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771191 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771192 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771193 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771194 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771195 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771196 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NC[C@H]3CCCO3)ccc2O1 ZINC000000771197 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771198 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)COc2ccccc2)c2cc(C(=O)NC[C@@H]3CCCO3)ccc2O1 ZINC000000771199 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000771200 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000771201 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000000771202 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000000771203 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771204 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771205 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771206 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771207 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771208 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@H]3CCCCNC3=O)ccc2O1 ZINC000000771209 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771210 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)CCc2ccccc2)c2cc(C(=O)N[C@@H]3CCCCNC3=O)ccc2O1 ZINC000000771211 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771224 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771225 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771228 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771229 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771238 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771239 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000771274 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000771275 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000771292 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000771293 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000771294 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000771295 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771304 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771305 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771306 KK Annotated Anodyne COc1ccc(CCN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771307 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771310 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000771311 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000771312 KK Annotated Anodyne COc1cccc(CC(=O)N(CCc2ccc(OC)c(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000771313 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771314 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771315 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771316 KK Annotated Anodyne COc1ccc(CCN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771317 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771318 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000771319 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000771332 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1OC ZINC000000771333 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000771334 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000771335 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000771336 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000771337 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771340 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771341 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771342 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000771343 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000000771344 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)cc1OC ZINC000000771345 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771368 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771369 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771370 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000771371 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771384 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771385 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000771386 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771400 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771402 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771404 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771406 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771408 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771410 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771484 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771486 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771488 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771490 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771492 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771494 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771500 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000771502 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771504 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000771506 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771508 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000771510 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771668 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(OC)c(OC)cc2Br)[C@H]1C(=O)NCc1ccccc1OC ZINC000000771670 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771693 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2cc(Br)ccc2OC)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771695 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771753 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771755 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771939 KK Annotated Bother CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771941 KK Annotated Bother CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771953 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000771955 KK Annotated Anodyne COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000772093 KK Annotated Anodyne COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2Br)c(OC)c1OC ZINC000000772094 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000000772214 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000000772279 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000772311 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000772312 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000772315 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000772316 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000772319 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000772320 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000772331 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000000772333 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000772343 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)cc1 ZINC000000772344 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000772347 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000772348 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000772351 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000772352 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000772391 KK Annotated Bother CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000772393 KK Annotated Bother CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000772483 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cccc(OC)c2OC)c1 ZINC000000772484 KK Annotated Anodyne CCOc1cccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000000772487 KK Annotated Anodyne CCOc1cccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2cc(OC)ccc2OC)c1 ZINC000000772488 KK Annotated Anodyne CCOc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000772546 KK Annotated Anodyne CCOc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000772547 KK Annotated Anodyne CCOc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000772592 KK Annotated Anodyne CCOc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000772593 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000000772651 KK Annotated Anodyne COc1cc(Br)c([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCc2ccccc2N)cc1OC ZINC000000772652 KK Annotated Anodyne COc1cc(Br)c([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NC[C@@H](O)c2ccccc2)cc1OC ZINC000000772655 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000772669 KK Annotated Anodyne COc1ccc(Br)cc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)NCc1ccccc1N ZINC000000772670 KK Annotated Anodyne COc1ccc(Br)cc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000772673 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2OC)ccc1OC ZINC000000772782 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2OC)ccc1OC ZINC000000772784 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000000772992 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000000772994 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000000773009 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000000773011 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1OC ZINC000000773098 KK Annotated Anodyne COc1cccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1OC ZINC000000773100 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)c1 ZINC000000773102 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)c1 ZINC000000773104 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000000773106 KK Annotated Anodyne COc1cc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc(OC)c1 ZINC000000773108 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2c(F)cccc2Cl)cc1OC ZINC000000773142 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@@H]2c2c(F)cccc2Cl)cc1OC ZINC000000773144 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000000773167 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCc1ccccc1Br ZINC000000773169 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000773201 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cccc(OC)c1OC ZINC000000773203 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000773205 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)ccc1OC ZINC000000773207 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000773209 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000773211 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000773237 KK Annotated Anodyne CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 ZINC000000773239 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000000773292 KK Annotated Anodyne CCOc1ccc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000000773294 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000000773309 KK Annotated Anodyne CCOc1cc(CCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(OC)cc2OC)ccc1OC ZINC000000773311 KK Annotated Anodyne COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000773382 KK Annotated Bother O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccc(F)cc2)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000773523 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000773532 KK Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000773536 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000773537 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000773538 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1Br ZINC000000773539 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000773558 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000773559 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000773662 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000773664 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000773665 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000773666 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000773667 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000773671 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000773738 KK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000773739 KK Annotated Bother COc1cc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000773746 KK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccc(F)cc2)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000773753 KK Annotated Bother CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000000773788 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2cc(Br)ccc2OC)cc1OC ZINC000000773846 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000773933 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000000773941 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000774041 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000774042 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000774097 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3Br)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000774098 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000000774115 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 ZINC000000774116 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000774214 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000774215 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000774228 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000774229 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCc2cccc(OC(F)(F)F)c2)cc1 ZINC000000774230 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000774232 KK Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCc2cc(OC)ccc2OC)cc1 ZINC000000774240 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCc2cc(OC)cc(OC)c2)cc1 ZINC000000774241 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000000774304 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000774323 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCCc2ccccc2F)cc1 ZINC000000774330 KK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000774331 KK Annotated Bother COc1ccc(-c2noc(-c3cc(OC)c(OC)cc3[N+](=O)[O-])c2C(=O)NCc2ccccc2F)cc1 ZINC000000774336 KK Annotated Bother COc1ccc(-c2noc(-c3cc(Br)ccc3F)c2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000774423 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc(Br)ccc3OC)c2C(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000000774455 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1OC ZINC000000774548 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1OC ZINC000000774549 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1OC ZINC000000774550 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1OC ZINC000000774551 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@H]1O ZINC000000774556 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1O ZINC000000774557 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H]1CCCC[C@@H]1O ZINC000000774558 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000000774559 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000774629 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)c(OC)c1OC ZINC000000774630 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1OC ZINC000000774631 KK Annotated Anodyne COc1cccc(CNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000774651 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000774661 KK Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774665 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774666 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774667 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1Br ZINC000000774668 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000000774669 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3Cl)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000000774670 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1OC ZINC000000774675 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1OC ZINC000000774676 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1OC ZINC000000774677 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(Br)ccc1OC ZINC000000774678 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000774679 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000774680 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000774748 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NCCc1cc(OC)cc(OC)c1 ZINC000000774750 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)c1OC ZINC000000774758 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc(OC)c1 ZINC000000774760 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000774762 KK Annotated Bother O=C(NCCc1ccccc1F)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774810 KK Annotated Bother CCOc1cc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000774811 KK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000774816 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000774817 KK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccccc2Cl)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000774822 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3Cl)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000000774879 KK Annotated Bother CCOc1cccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000000774911 KK Annotated Anodyne COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccc(F)cc2)c([N+](=O)[O-])cc1OC ZINC000000774968 KK Annotated Bother O=C(N[C@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775070 KK Annotated Anodyne O=C(N[C@@H](CO)Cc1ccccc1)c1c(-c2ccccc2F)noc1-c1cc(Br)ccc1F ZINC000000775071 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1OC ZINC000000775080 KK Annotated Anodyne O=C(NCCc1c[nH]c2ccccc12)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775109 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000775118 KK Annotated Bother CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775122 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775123 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775124 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775125 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@H](CO)Cc2ccccc2)cc1OC ZINC000000775126 KK Annotated Anodyne COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc1OC ZINC000000775127 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@H](CO)Cc1ccccc1 ZINC000000775144 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)N[C@@H](CO)Cc1ccccc1 ZINC000000775145 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(-c2ccccc2F)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000000775146 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000000775235 KK Annotated Anodyne CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000775248 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2cccc(OC)c2OC)c([N+](=O)[O-])cc1OC ZINC000000775250 KK Annotated Bother COc1ccc(OC)c(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])c1 ZINC000000775251 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(OC)c1 ZINC000000775252 KK Annotated Bother CCOc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000000775253 KK Annotated Bother COc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000775257 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccccc2OCC)ccc1OC ZINC000000775300 KK Annotated Anodyne CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)c(OC)c2OC)cc1 ZINC000000775308 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)ccc1OC ZINC000000775324 KK Annotated Bother CCc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 ZINC000000775325 KK Annotated Bother COc1cc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000000775332 KK Annotated Bother COc1ccccc1CNC(=O)c1c(-c2ccccc2F)noc1-c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000000775339 KK Annotated Bother COc1cc(Br)c(-c2onc(-c3ccccc3F)c2C(=O)NCc2ccccc2)cc1OC ZINC000000775341 KK Annotated Anodyne CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCCc2ccc(OC)c(OCC)c2)c1 ZINC000000775374 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)c1c(-c2ccccc2F)noc1-c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000000775417 KK Annotated Bother COc1ccc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2cc(Br)ccc2OC)cc1OC ZINC000000775433 KK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000775535 KK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCc2cccc(OC)c2OC)cc1OC ZINC000000775708 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCc1cccc(OC)c1OC ZINC000000775728 KK Annotated Anodyne COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)c1OC ZINC000000775826 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)c1 ZINC000000775827 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)cc(OC)c1 ZINC000000775828 KK Annotated Anodyne COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCc2c(Cl)cccc2Cl)c(OC)c1OC ZINC000000775830 KK Annotated Anodyne CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000775844 KK Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1ccc(OC(F)(F)F)cc1 ZINC000000775849 KK Annotated Bother CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000000775850 KK Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCc2c(Cl)cccc2Cl)c([N+](=O)[O-])cc1OC ZINC000000775852 KK Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2ccc(OC(F)(F)F)cc2)c([N+](=O)[O-])cc1OC ZINC000000775857 KK Annotated Bother COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCc2cccc(OC(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000000775858 KK Annotated Bother COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCc2cccc(OC)c2OC)cc1OC ZINC000000775860 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2Br)c1 ZINC000000775861 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2Br)cc(OC)c1 ZINC000000775862 KK Annotated Anodyne COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCc1cccc(OC)c1OC ZINC000000775868 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2OC)c1 ZINC000000775869 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2OC)cc(OC)c1 ZINC000000775870 KK Annotated Anodyne COc1cc(Br)c(-c2onc(C(C)(C)C)c2C(=O)NCCc2ccccc2F)cc1OC ZINC000000775981 KK Annotated Anodyne COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1cc(OC)c(OC)cc1Br ZINC000000775987 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000776010 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000776035 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000776036 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000776037 KK Annotated Anodyne COc1ccc(CCN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000776038 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000776047 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000000776048 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000776049 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NCCc1ccccc1)CC(C)(C)O2 ZINC000000776050 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000776083 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000776084 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776097 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776098 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000776099 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000776100 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000776111 KK Annotated Anodyne COc1cccc(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000776112 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000776113 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2cccc(C(F)(F)F)c2)C(=O)COc2ccccc2)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 ZINC000000776114 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776123 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776124 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776125 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776126 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776136 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776137 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776138 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776139 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000776164 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000000776165 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776174 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776175 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776176 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776177 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776178 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776195 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776196 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776197 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2F)cc1OC ZINC000000776266 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(OC)c(OC)cc2Br)cc1OC ZINC000000776292 KK Annotated Anodyne COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2cc(Br)ccc2OC)cc1OC ZINC000000776301 KK Annotated Anodyne COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NC2CCCC2)cc1OCc1ccccc1 ZINC000000776359 KK Annotated Bother CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000000776400 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1cc(Br)ccc1OC ZINC000000776401 KK Annotated Anodyne COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCc2cccc(OC)c2OC)cc1OCc1ccccc1 ZINC000000776427 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000776441 KK Annotated Bother CC[C@@H](O)CNC(=O)c1c(-c2ccc(OC)c(OCc3ccccc3)c2)noc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000776442 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NC(C)C)cc1OCc1ccccc1 ZINC000000776446 KK Annotated Bother COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCC(C)C)cc1OCc1ccccc1 ZINC000000776479 KK Annotated Bother COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776510 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776515 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776516 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776517 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776518 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776533 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776534 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776535 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776536 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776537 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776538 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776539 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000776540 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776541 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776542 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776543 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000776544 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000776545 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000776546 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000776547 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000000776548 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776565 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776566 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776567 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776568 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776569 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776570 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776571 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776572 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000776573 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776578 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776579 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776580 KK Annotated Anodyne COc1ccc(CN(C(=O)Nc2cccc(SC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776581 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776582 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776583 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776584 KK Annotated Anodyne COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776585 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776586 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776587 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776588 KK Annotated Anodyne COc1ccc(CN(C(=O)COc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776589 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776590 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776591 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000776592 KK Annotated Anodyne COc1ccc(CN(C(=O)Cc2cccc(OC)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000776593 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000776623 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000776624 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000776625 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000776626 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000776639 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000776640 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000776651 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000776652 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000776657 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000776658 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000776659 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000776660 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776679 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776680 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776681 KK Annotated Anodyne COc1ccc(CN(C(=O)NCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776682 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776683 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776684 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776685 KK Annotated Anodyne COc1ccc(CN(C(=O)NCCc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776686 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776687 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@H]4CCCCNC4=O)cc32)cc1 ZINC000000776688 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776689 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccc(C)cc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000776690 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000000776705 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCc4ccc(OC)c(OC)c4)cc32)cc1 ZINC000000776706 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)cc2OC)c1 ZINC000000776845 KK Annotated Anodyne COc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)cc2OC)cc(OC)c1 ZINC000000776846 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2-c2ccc(OC)cc2OC)ccc1OC ZINC000000776850 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000000776862 KK Annotated Anodyne COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCc2cccc(OC)c2OC)c(OC)c1 ZINC000000776943 KK Annotated Anodyne CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2-c2ccc(OC)cc2OC)ccc1OC ZINC000000777006 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777021 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000000777023 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777040 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777041 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777042 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777043 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777044 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777045 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777046 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777047 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777048 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777049 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777050 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000777051 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777056 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777057 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000777058 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777087 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777088 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777089 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777090 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777099 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777100 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777101 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777102 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000777107 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777109 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777112 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777113 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777114 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777115 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777116 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777117 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777118 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777119 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777120 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777121 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777122 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000777123 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777128 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777129 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777130 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)c1 ZINC000000777131 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000777132 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777134 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000777169 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000777171 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777512 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777513 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777514 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777515 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777516 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777517 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000777518 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000777519 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000777530 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 ZINC000000777531 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000777532 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 ZINC000000777533 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777546 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777547 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777548 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000777549 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000777608 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000777609 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000777610 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000777611 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000777612 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000777613 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000777614 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000777615 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000777616 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000777617 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000777620 KK Annotated Anodyne CNC(=O)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000777621 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000777622 KK Annotated Anodyne CNC(=S)N(Cc1ccc(OC)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000777623 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000777624 KK Annotated Anodyne COc1ccc(CN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1 ZINC000000777625 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777656 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777657 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777658 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777659 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777660 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777669 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777670 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777671 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777672 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000777693 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000777694 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)CC1(CCN(C(C)=O)CC1)O2 ZINC000000777695 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000000777704 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCC(O)CC3)ccc1O2 ZINC000000777705 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000000777722 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@@H](C)CN(C)C)ccc1O2 ZINC000000777723 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N[C@H](C)CN(C)C)ccc1O2 ZINC000000777724 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777733 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777734 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777735 KK Annotated Anodyne CSc1cccc(NC(=O)N(Cc2ccccc2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000777736 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777737 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000777738 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777743 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777744 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777745 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777746 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777747 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000777748 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000777768 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000777769 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000777812 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000777813 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000000777840 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@H]3CCCO3)ccc1O2 ZINC000000777841 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000000777842 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000784927 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000784929 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000784931 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000784932 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NC[C@H](O)c3ccccc3)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000785040 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000785115 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](C)c3ccc(F)cc3)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000000785196 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785366 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785369 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785372 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000785375 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000785947 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000785948 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000785949 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000000785951 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)N(C(=O)c3cc(OC)c(OC)cc3Cl)C2)c1 ZINC000000786022 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H]1CCc2ccccc21 ZINC000000786031 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCc2ccccc21 ZINC000000786212 KK Annotated Anodyne C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000000786242 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3c(-c4ccccc4)noc3C)C2)c1 ZINC000000786270 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N(C(=O)c3cccnc3Oc3ccccc3)C2)c1 ZINC000000786281 KK Annotated Anodyne CC(C)c1ccc(C[C@H](C)[C@@H](C(=O)NCCN2CCOCC2)N2C(=O)c3cc4ccccc4cc3NC(=O)[C@H]2C(C)C)cc1 ZINC000000786981 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)c1cc(C(=O)NC[C@@H]3CCCO3)ccc1O2 ZINC000000787535 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(S)=Nc1cccc(C)c1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000787574 KK Annotated Mild CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787623 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787625 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787626 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787629 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000787715 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000787716 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000787718 KK Annotated Anodyne CSc1cccc(NC(=O)N(C[C@@H]2CCCO2)[C@H]2CC3(CCN(C(C)=O)CC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000787719 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787750 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787752 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787753 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)c1cc(C(=O)N3CCCCC3)ccc1O2 ZINC000000787755 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787810 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787811 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787813 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787814 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787929 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787931 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787934 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000787935 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787939 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787942 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787944 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000787946 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788089 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788090 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788092 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccc(C)cc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788094 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788186 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)c1ccccc1F)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788188 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788189 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)c1cc(C(=O)N(C)C)ccc1O2 ZINC000000788191 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000788205 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NC3CCCCC3)ccc1O2 ZINC000000788207 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000788237 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000788238 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000788240 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCc3ccccc3)ccc1O2 ZINC000000788242 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000788261 KK Annotated Anodyne CC(=O)N1CCC2(CC1)C[C@H](N(CCc1ccccc1F)C(C)=O)c1cc(C(=O)NCc3ccccc3F)ccc1O2 ZINC000000788262 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788323 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788324 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788326 KK Annotated Anodyne O=C(NCc1ccccc1Br)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788329 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000788378 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000788380 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000788381 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000788384 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000788491 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000788492 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000788494 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000000788495 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788676 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788678 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788681 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000788683 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000000788855 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000000788856 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000000788858 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000000788860 KK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789097 KK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789099 KK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789101 KK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789103 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789139 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789140 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789141 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789142 KK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789147 KK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789148 KK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789149 KK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789150 KK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789151 KK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789152 KK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789153 KK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789154 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789163 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H]4CCCCNC4=O)cc32)cc1 ZINC000000789164 KK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789209 KK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789211 KK Annotated Anodyne CNC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789213 KK Annotated Anodyne CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789215 KK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789217 KK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789220 KK Annotated Anodyne CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789222 KK Annotated Anodyne CNC(=S)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000000789224 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@H]2CCCO2)C(C)=O)CC2(CCCCC2)O3)cc1OC ZINC000000789226 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@@H](N(C[C@@H]2CCCO2)C(C)=O)CC2(CCCCC2)O3)cc1OC ZINC000000789228 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@H]2CCCO2)C(C)=O)CC2(CCCCC2)O3)cc1OC ZINC000000789230 KK Annotated Anodyne COc1ccc(CCNC(=O)c2ccc3c(c2)[C@H](N(C[C@@H]2CCCO2)C(C)=O)CC2(CCCCC2)O3)cc1OC ZINC000000789232 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789234 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789236 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789238 KK Annotated Anodyne COc1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)c1 ZINC000000789241 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789243 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789245 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789247 KK Annotated Anodyne Nc1ccccc1CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000000789250 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789253 KK Annotated Anodyne O=C(N[C@@H]1CCCCNC1=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789254 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789269 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789271 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000789273 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000000789275 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789288 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789290 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000789292 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000000789294 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000000789324 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000000789326 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000000789328 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000000789330 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000789346 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCC(O)CC4)cc32)cc1 ZINC000000789348 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000789371 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1 ZINC000000789372 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000789374 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1 ZINC000000789376 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789388 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789389 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000789391 KK Annotated Anodyne CSc1cccc(NC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000789392 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789394 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000000789395 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000789399 KK Annotated Anodyne COc1cccc(CC(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000000789400 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789402 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789403 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789404 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789405 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789407 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)COc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789409 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789410 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789411 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789413 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789415 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789427 KK Annotated Anodyne O=C1CCCN1CCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789429 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789431 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789433 KK Annotated Anodyne C[C@@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789435 KK Annotated Anodyne C[C@H](CN(C)C)NC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789436 KK Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000789441 KK Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000789443 KK Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000789446 KK Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000000789448 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000789470 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1 ZINC000000789472 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000789473 KK Annotated Anodyne Cc1ccc(C(=O)N(CCCN2CCCC2=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1 ZINC000000789476 KK Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789484 KK Annotated Anodyne CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789486 KK Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789502 KK Annotated Anodyne CNC(=S)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000000789504 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789541 KK Annotated Anodyne O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789544 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789546 KK Annotated Anodyne O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000000789547 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789563 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789565 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789607 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789609 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789623 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789625 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789626 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789627 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789628 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000000789630 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000000789631 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789649 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789650 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789652 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789653 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789654 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789656 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789657 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789658 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789660 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789661 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789662 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789663 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789665 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789666 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000000789695 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc21 ZINC000000789696 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789708 KK Annotated Anodyne COc1ccc(CCN(C(=O)NCc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789710 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789714 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789715 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789717 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000000789719 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000789720 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1OC ZINC000000789722 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000789773 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000789775 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)cc1OC ZINC000000789777 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N[C@H](C)CN(C)C)cc32)cc1OC ZINC000000789778 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789792 KK Annotated Anodyne COc1ccc(CCN(C(=O)COc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)cc1OC ZINC000000789794 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789803 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789805 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789806 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789808 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789810 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000000789811 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789813 KK Annotated Anodyne CNC(=S)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000000789816 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000789817 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@H]4CCCO4)cc32)cc1OC ZINC000000789819 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000789820 KK Annotated Anodyne COc1ccc(CCN(C(C)=O)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)cc1OC ZINC000000789822 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789823 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000000789825 KK Annotated Anodyne COc1ccc(CCN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000000789826 KK Annotated Anodyne COc1ccc(CCN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCc4ccccc4N)cc32)cc1OC ZINC000000789828 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789829 KK Annotated Anodyne CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000000789831 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789859 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000000789860 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789872 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789874 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789875 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000000789877 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789879 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789880 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789882 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC1(CCCCC1)O2 ZINC000000789884 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000789893 KK Annotated Anodyne O=C(c1ccc2c(c1)[C@H](NCc1cccc(C(F)(F)F)c1)CC1(CCCCC1)O2)N1CCC(O)CC1 ZINC000000789894 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789897 KK Annotated Anodyne CNC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789899 KK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789900 KK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789902 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789904 KK Annotated Anodyne CC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000000789905 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790027 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790029 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790031 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790034 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000790319 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000790320 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000790322 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000790323 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000790353 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000790355 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000790357 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000000790360 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)[C@@H](O)c1ccccc1 ZINC000000790432 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790490 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790492 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790494 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000790496 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@H]3C(=O)NC[C@@H](O)c3ccccc3)ccc2c1 ZINC000000790504 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000000790517 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000000790531 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790642 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000790643 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790646 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000790649 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000000790666 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000000790668 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000000790669 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(C(C)(C)C)cc2)c1 ZINC000000790672 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000000790682 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790732 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000790735 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1Br ZINC000000790737 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1Br ZINC000000790739 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1)c1ccc(F)cc1 ZINC000000790758 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000790767 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000790770 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000790773 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2Br)cc1OC ZINC000000790775 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC ZINC000000790782 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000790785 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000790786 KK Annotated Anodyne COc1cccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000790788 KK Annotated Anodyne COc1cccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c1OC ZINC000000790789 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000000790800 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000000790801 KK Annotated Anodyne COc1ccc(CNC(=O)[C@@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000000790805 KK Annotated Anodyne COc1ccc(CNC(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2c(-c3ccccc3)noc2C)c(OC)c1 ZINC000000790806 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000000790831 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000000790832 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000000790833 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2c(Cl)cccc2Cl)c1 ZINC000000790835 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000791089 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000791090 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000000791093 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000000791095 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000791208 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000791211 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000791214 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000000791216 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccccc3N)ccc2c1 ZINC000000791297 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000000791310 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791339 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791341 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791343 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791344 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCc3ccc(N)cc3)ccc2c1 ZINC000000791366 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000000791376 KK Annotated Clean O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791413 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791415 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791417 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000000791419 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000000791434 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000791457 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000791458 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000791460 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1OC ZINC000000791461 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000791485 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000791487 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000791488 KK Annotated Anodyne COc1cc(Cl)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1OC ZINC000000791489 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000000791495 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000000791520 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2F)c1 ZINC000000791532 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCc2ccccc2F)c1 ZINC000000791533 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2F)c1 ZINC000000791534 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCc2ccccc2F)c1 ZINC000000791536 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 ZINC000000791557 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000791591 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000000791592 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000791593 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000000791594 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000000791600 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000000791601 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000000791602 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cccnc1SC ZINC000000791603 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccco3)C2)cc1 ZINC000000791652 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccco3)C2)cc1 ZINC000000791655 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccco3)C2)cc1 ZINC000000791658 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3Br)N(C(=O)c3ccco3)C2)cc1 ZINC000000791661 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000000791676 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)cc1 ZINC000000791790 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)cc1 ZINC000000791791 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)cc1 ZINC000000791792 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3ccco3)C2)cc1 ZINC000000791793 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791850 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791852 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791853 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCc3c(Cl)cccc3Cl)N(C(=O)c3cnccn3)C2)cc1 ZINC000000791857 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791964 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791966 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1N ZINC000000791970 KK Annotated Anodyne Cc1onc(-c2ccccc2)c1C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1N ZINC000000791972 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000000792111 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000000792114 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000000792117 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000000792120 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)Cc3ccccc3OC)C2)c1 ZINC000000792260 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](C)c3cccc4ccccc34)N(C(=O)c3cccnc3SC)C2)c1 ZINC000000792419 KK Annotated Anodyne COc1cc(O)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1 ZINC000000897910 KK Annotated Bother in-man biogenic COc1cc(OC)c2cc3c(c(-c4ccc5cc6c(c(O)c5c4O)C(=O)C[C@@](C)(O)C6)c2c1)C[C@H](C)O[C@H]3C ZINC000000899599 KK Annotated Anodyne in-vitro CC(C)=CCOc1cc(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)C(C)C)C2=O)c(O)c1C(=O)c1ccccc1 ZINC000000899651 KK Annotated Mild in-vitro biogenic COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1OC ZINC000000922955 KK Annotated Anodyne aggregator COc1c(OC)c2c3c(c(-c4c(C)cc5c(C(C)C)c(OC)c(OC)c6c5c4O[C@H]6OC)c(C)cc3c1C(C)C)O[C@@H]2OC ZINC000005160051 KK Annotated Anodyne COc1c(OC)c2c3c(c(-c4c(C)cc5c(C(C)C)c(OC)c(OC)c6c5c4O[C@@H]6OC)c(C)cc3c1C(C)C)O[C@@H]2OC ZINC000005160054 KK Annotated Anodyne COc1c(OC)c2c3c(c(-c4c(C)cc5c(C(C)C)c(OC)c(OC)c6c5c4O[C@H]6OC)c(C)cc3c1C(C)C)O[C@H]2OC ZINC000005160056 KK Annotated Anodyne Cc1cc(NCCCCNCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1 ZINC000005373229 KK Annotated Bother C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC(=O)N2 ZINC000005389710 KK Annotated Reactive Cc1cc(NCCCCCCCCNc2cc(C)nc3cc([N+](=O)[O-])ccc23)c2ccc([N+](=O)[O-])cc2n1 ZINC000005440325 KK Annotated Bother O=C(NCc1nc2ccccc2[nH]1)C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000050772480 KK Annotated Anodyne O=C(/C=C1\N=C(c2ccccc2)N(c2nc3cc(Sc4ccccc4)ccc3[nH]2)C1=O)/C=C/c1ccccc1 ZINC000051092356 KK Annotated Mild Clc1ccc(-c2nnc(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3-c3nc4ccccc4[nH]3)o2)cc1 ZINC000051092481 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1c(c(C(C)(C)C)nn1C(C)(C)C)[C@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000051768818 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1c(c(C(C)(C)C)nn1C(C)(C)C)[C@@H]2c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000051768819 KK Annotated Mild C=C(CO)C(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\CC/C(=C/CC/C(C)=C\OC(C)=O)COC(C)=O)CCC(=C)C(C)C)/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 ZINC000523041617 KK Annotated Reactive CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042419 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042420 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042421 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@H]([C@H](O)C[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000523042422 KK Annotated Mild CC(=O)c1ccc2c(c1C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000052955821 KK Annotated Anodyne COc1ccccc1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@@]5(O)C[C@@H](C=C(C)C)OC5=O)CC[C@H]4[C@]3(C)CC[C@H]2C1(C)C ZINC000052955921 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000052955956 KK Annotated Mild CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c4ccccn4)CC[C@]23C)C(=O)O1 ZINC000052956007 KK Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)nc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052956040 KK Annotated Mild Cc1ccc(S(=O)(=O)N2CCN(c3nc(SCc4nc5ccccc5[nH]4)nc(-c4ccccc4)c3C#N)CC2)cc1 ZINC000052956122 KK Annotated Mild COc1cc(Cn2cncc2CCN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000052957133 KK Annotated Anodyne O=C1CN(Cc2cncn2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CCN1c1cccc(Cl)c1 ZINC000052957138 KK Annotated Anodyne O=C1Nc2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c3cc2[C@H](c2ccccc2)N1 ZINC000052961772 KK Annotated Anodyne O=C1Nc2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccc(Cl)cc4)c(=O)c3cc2[C@@H](c2ccccc2)N1 ZINC000052961774 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OCC3CCC3)nn2)CC1 ZINC000052971520 KK Annotated Anodyne O=C(CCCCCN1c2ccccc2Sc2ccccc21)NCc1ccc(CN(Cc2ccccn2)Cc2ccccn2)cc1 ZINC000052988086 KK Annotated Anodyne CCNc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000053006773 KK Annotated Bother CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccc(O)c(NCc3ccncc3)c2)[C@H]1[N+](=O)[O-] ZINC000053007187 KK Annotated Bother CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000053022810 KK Annotated Anodyne CCN(CC)/C(=N\CCCCCCN/C(=N\C(=N)NCc1cccc(Cl)c1)N(CC)CC)NC(=N)NCc1cccc(Cl)c1 ZINC000053022881 KK Annotated Mild Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)nn2)CC1 ZINC000053033442 KK Annotated Anodyne N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1cccc(Cl)c1 ZINC000053045115 KK Annotated Mild N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc(OCc2ccccc2)cc1 ZINC000053045213 KK Annotated Mild N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccc(Cl)cc1 ZINC000053045221 KK Annotated Mild COc1cc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)ccc1-c1ccc(C(F)(F)F)cc1 ZINC000053070705 KK Annotated Anodyne CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])N1C(=O)OCCN(Cc1ccccc1)Cc1ccc2ccccc2c1 ZINC000053122867 KK Annotated Bother COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000053132358 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1 ZINC000053133139 KK Annotated Anodyne CC(C)[C@]12C=C[C@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000053151147 KK Annotated Mild CC(C)[C@@]12C=C[C@@](C)(CC1)[C@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000053151148 KK Annotated Mild O=C1Nc2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c(=O)c3cc2[C@H](c2ccccc2)N1 ZINC000053151247 KK Annotated Anodyne O=C1Nc2cc3c(-c4ccccc4)c(-c4ccccc4)n(-c4ccccc4)c(=O)c3cc2[C@@H](c2ccccc2)N1 ZINC000053151248 KK Annotated Anodyne COc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3cc4c(cc3c2=O)[C@H](c2ccccc2)NC(=O)N4)cc1 ZINC000053173509 KK Annotated Anodyne COc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3cc4c(cc3c2=O)[C@@H](c2ccccc2)NC(=O)N4)cc1 ZINC000053173510 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)O[C@@H]3CCOC3)nn2)CC1 ZINC000053173603 KK Annotated Anodyne CCN(CC)c1ccc(Nc2cc(N(Cc3ccccc3)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053173642 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(CC(=O)O)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2(C)C)cc1 ZINC000053175194 KK Annotated Clean COC(=O)c1cc(Nc2cc(C(C)(C)C)ccc2C)nc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)n1 ZINC000053175196 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(S(C)(=O)=O)n3)CC2(C)C)cc1 ZINC000053175227 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)cc(C(=O)O)n3)CC2(C)C)cc1 ZINC000053175228 KK Annotated Clean CNC(=O)c1cc(Nc2cc(C(C)(C)C)ccc2C)nc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)n1 ZINC000053175245 KK Annotated Clean CC(C)Nc1cc([C@@H]2[C@@H]([N+](=O)[O-])[C@H](c3ccccc3Br)CCN2Cc2cccnc2)ccc1O ZINC000053177081 KK Annotated Bother COc1ccc(N2CCN(c3nccc(Nc4cc(C(C)(C)C)nn4CC(F)(F)F)n3)CC2(C)C)cc1 ZINC000053184451 KK Annotated Clean CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccc(O)c(NCc3cccnc3)c2)[C@H]1[N+](=O)[O-] ZINC000053188808 KK Annotated Bother CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccc(O)c(NCc3ccccn3)c2)[C@H]1[N+](=O)[O-] ZINC000053188889 KK Annotated Bother CCc1ccccc1[C@@H]1CCN(Cc2cccnc2)[C@H](c2ccc(O)c(NCc3ccccc3)c2)[C@H]1[N+](=O)[O-] ZINC000053188985 KK Annotated Bother N#Cc1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1Oc1ccccc1Cl ZINC000053224078 KK Annotated Mild O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1 ZINC000053226664 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053226767 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053226768 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053226770 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053226772 KK Annotated Reactive C/C(=C1\CCOC(=S)S1)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C1/CCOC(=S)S1 ZINC000053229488 KK Annotated Anodyne C=CCN(C(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053230678 KK Annotated Mild COc1cc2c3cc1Oc1c(O)c(OC)cc4ccnc(c14)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000053230921 KK Annotated Anodyne COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C)n3)CC2(C)C)cc1 ZINC000053239425 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4ncn(C)c4n3)CC2(C)C)cc1 ZINC000053239429 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(ncn4C(C)C)n3)CC2(C)C)cc1 ZINC000053239449 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4c(n3)nc(C)n4C)CC2(C)C)cc1 ZINC000053239452 KK Annotated Clean COc1ccc(N2CCN(c3nc(Nc4cc(C(C)(C)C)ccc4C)c4cccnc4n3)CC2(C)C)cc1 ZINC000053239610 KK Annotated Clean COc1cc2c3cc1Oc1c(O)c(OC)cc4ccnc(c14)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N+](C)([O-])CC2 ZINC000053242852 KK Annotated Bother COCC/C(SC(C)=O)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(C)=O ZINC000053242952 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1 ZINC000053243137 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243476 KK Annotated Reactive O=C1[C@@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243478 KK Annotated Reactive O=C1[C@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243480 KK Annotated Reactive O=C1[C@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053243482 KK Annotated Reactive CCN(CC)CCOC(=O)c1ccc(/N=C2/c3ccccc3/C(=N/c3ccc(C(=O)OCCN(CC)CC)cc3)c3occc32)cc1 ZINC000053243569 KK Annotated Mild FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)cc1 ZINC000053243827 KK Annotated Anodyne COc1cccc(-c2c(C)n(Cc3ccccc3F)c3nc(C(C)(C)C)c(CN(C)Cc4ccccc4)n3c2=O)c1 ZINC000053244634 KK Annotated Anodyne CC(C)Oc1nc(Nc2ccc(OC(F)(F)F)cc2)cc(Nc2nccn2-c2cccc(C(F)(F)F)c2)n1 ZINC000053246830 KK Annotated Anodyne O=C(CN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1)c1ccccc1 ZINC000053259551 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4cncn4CCC)cc2)CCCN3CCC)cc1 ZINC000053259552 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CCCCN1[C@H]1c2ncc(Br)cc2CCc2cc(Cl)cc(Br)c21 ZINC000053274953 KK Annotated Anodyne CCN(CC)c1ccc(Nc2cc(N(Cc3ccc(N(C)C)cc3)C(=O)Nc3ccccc3Cl)ncn2)cc1 ZINC000053275003 KK Annotated Clean Cc1cc(SC2=C(O)O[C@@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000053275921 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)Cn1ccnc1 ZINC000053275922 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@H](C)OC3=C([C@@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053276070 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@H](C)OC3=C([C@@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053276071 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@H](C)OC3=C([C@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053276072 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@H](C)OC3=C([C@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053276073 KK Annotated Mild FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(Oc3ccccc3)n2)cc1 ZINC000053276422 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cc(Br)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053276480 KK Annotated Anodyne CS(=O)(=O)c1nc(Nc2ccc(OC(F)(F)F)cc2)cc(Nc2nccn2-c2cccc(C(F)(F)F)c2)n1 ZINC000053276583 KK Annotated Anodyne COc1ccccc1C1=CS/C(=C(\C#N)c2nc3cc(C(=O)O)ccc3[nH]2)N1c1ccc(Br)cc1 ZINC000053276729 KK Annotated Reactive C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000053277603 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@@H](C)OC3=C([C@@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053277645 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@@H](C)OC3=C([C@@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053277646 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@@H](C)OC3=C([C@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053277647 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@@H](C)OC3=C([C@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000053277648 KK Annotated Mild CN1CCN(CCNc2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053293643 KK Annotated Anodyne CC[C@@H]1CN2CC[C@@]34C5=C(C[C@]6(CN5c5ccccc53)C(=O)[C@@]3(c5ccccc5N)CCN5C[C@@H](CC)[C@@H]6C[C@H]53)[C@H]1C[C@H]24 ZINC000053293660 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cc(N4CCOCC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053293668 KK Annotated Anodyne CSc1nc(Nc2ccc(OC(F)(F)F)cc2)cc(Nc2nccn2-c2cccc(C(F)(F)F)c2)n1 ZINC000053293738 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cc(NCCN4CCOCC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000053293784 KK Annotated Anodyne CCC(=O)S/C(CCOC)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)CC ZINC000053294108 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053294132 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 ZINC000053294135 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(C(F)(F)F)n2)cc1 ZINC000053294547 KK Annotated Mild CN1CCN(c2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053294808 KK Annotated Anodyne COCC/C(SC(=O)C(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C(C)C ZINC000053295434 KK Annotated Anodyne COCC/C(SC(=O)C1CC1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C1CC1 ZINC000053295634 KK Annotated Anodyne OCCN1CCN(c2cc(-n3ccnc3Nc3cc(Nc4ccc(OC(F)(F)F)cc4)ncn3)cc(C(F)(F)F)c2)CC1 ZINC000053295637 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2nc(Nc3nccn3-c3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 ZINC000053296736 KK Annotated Anodyne Cc1sc(NC(=O)c2cnc(N3CCC(C(=O)O)CC3)c(Cl)c2)nc1-c1ccc(F)c(C(F)(F)F)c1 ZINC000053297054 KK Annotated Anodyne O=C(Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)c(Cl)s1)c1cnc(N2CCC(C(=O)O)CC2)c(Cl)c1 ZINC000053297405 KK Annotated Anodyne Cc1cc(O)c(C(=O)/C=C/c2ccc(F)cc2)c(-c2ccc(Br)cc2)c1C(=O)/C=C/c1ccc(F)cc1 ZINC000053297501 KK Annotated Mild Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(N)nc(=S)[nH]c32)n(C)n(-c2ccccc2)c1=O ZINC000053297653 KK Annotated Anodyne C#CCCCCC(=O)OCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000053297675 KK Annotated Mild FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cccc(C(F)(F)F)c3)nc(NCCN3CCOCC3)n2)cc1 ZINC000053297791 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1ccc(-c3nc4ccccc4o3)cc1)N=C[C@@H]1CCCN1C2=O ZINC000053297931 KK Annotated Anodyne Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)cc2)c(-c2ccc(Br)cc2)c1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000053298277 KK Annotated Mild O=C(O)c1cc(Cl)ccc1-c1ccc(Cl)cc1C(=O)NC1=CC2=C(CC1)c1c(Cl)cc(Cl)cc1C2 ZINC000053298564 KK Annotated Anodyne Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(=S)[nH]c(S)nc32)n(C)n(-c2ccccc2)c1=O ZINC000053298898 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053298925 KK Annotated Anodyne O=C1CS[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 ZINC000053298928 KK Annotated Anodyne COCC/C(SC(=O)OC)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OC ZINC000053312363 KK Annotated Anodyne C=Cc1cccc2c1N(C)Cc1cc(OC(=O)CCCCCCCCCCC)c(OC(=O)CCCCCCCCCCC)cc1-2 ZINC000053312390 KK Annotated Mild O=C(N/N=C(/c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 ZINC000053312906 KK Annotated Reactive C=CCN(C(=O)OCc1ccc(OC(F)(F)F)cc1)C1CCN(C[C@H]2CN(C(=O)C3CCCC3)C[C@]2(O)c2ccccc2)CC1 ZINC000053313020 KK Annotated Mild CC(C)=C(c1ccncc1)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)c(NC(=O)OC(C)(C)C)c2)cc1 ZINC000053314744 KK Annotated Anodyne CC1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H](c2cccc(C(F)(F)F)c2)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000053598362 KK Annotated Mild CC1=NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H](c2cccc(C(F)(F)F)c2)[C@@H]1C(=O)OC[C@@H]1CCCO1 ZINC000053598364 KK Annotated Mild CC(C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000053684027 KK Annotated Anodyne in-vivo Cc1c2cc(N)ccc2c2ccc(=N)cc-2n1CCCNCCNCCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1 ZINC000535362995 KK Annotated Bother CC1=CC(C)(C)N(C)c2cc3c(cc21)C(=C1C=CC(=NC(=O)c2ccc(CCl)cc2)C=C1C(=O)O)c1cc2c(cc1O3)N(C)C(C)(C)C=C2C ZINC000535363528 KK Annotated Reactive CCN(CC)c1ccc(C(=C2C=CC(=Nc3ccccc3)c3ccccc32)c2ccc(N(CC)CC)cc2)cc1 ZINC000535383444 KK Annotated Mild COC(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)/C=C/C=C(C)/C=C/[C@@H](O)C(C)(C)OC ZINC000535384613 KK Annotated Bother COC(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)/C=C/C=C(C)/C=C/[C@H](O)C(C)(C)OC ZINC000535384614 KK Annotated Bother C[C@@H](C(=O)CCCCCCCCCCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)NCCO ZINC000535384641 KK Annotated Anodyne C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCCCCCC(=O)[C@@H](C)C(=O)NCCO)[C@H](O)C[C@H]1O ZINC000535384642 KK Annotated Anodyne COC(C)(C)[C@H](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)CC/C=C(\C)CCC=C(C)C ZINC000535384675 KK Annotated Bother COC(C)(C)[C@@H](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)CC/C=C(\C)CCC=C(C)C ZINC000535384676 KK Annotated Bother C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCCCCCC[C@@H](C)C(=O)O)[C@H](O)C[C@H]1O ZINC000535384709 KK Annotated Anodyne C[C@@H](CCCCCCCCCCCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)O ZINC000535384710 KK Annotated Anodyne COC(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/C=C(C)/C=C/C(O)(O)C(C)(C)OC ZINC000535384724 KK Annotated Mild C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)NCCO)[C@H](O)C[C@H]1O ZINC000535384742 KK Annotated Anodyne COC(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/C=C(C)/C=C/[C@@H](O)C(C)(C)OC ZINC000535384764 KK Annotated Mild COC(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/C=C(C)/C=C/[C@H](O)C(C)(C)OC ZINC000535384765 KK Annotated Mild C/C(=C\CCCCCCCCCCCCCCCCCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O)C(=O)NCCO ZINC000535384789 KK Annotated Anodyne COC(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)/C=C/C=C(C)/C=C/C(O)(O)C(C)(C)OC ZINC000535384790 KK Annotated Bother COC(C)(C)C(O)(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)CC/C=C(\C)CCC=C(C)C ZINC000535384796 KK Annotated Bother 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@H](C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H]5CC[C@]43C)[C@@]2(C)C1 ZINC000535386075 KK Annotated Anodyne CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)[C@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000005537373 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C23C(=O)c2ccccc2C3=O)cc(OC)c1OC ZINC000005538413 KK Annotated Clean C=C1CC[C@@H](CC[C@@H]2CC[C@@]3(OC2)O[C@]2(O)CC[C@@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O ZINC000005538837 KK Annotated Mild C=C1CC[C@@H](CC[C@H]2CC[C@@]3(OC2)O[C@]2(O)CC[C@@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O ZINC000005538844 KK Annotated Mild C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@]2(O)CC[C@@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O ZINC000005538849 KK Annotated Mild C=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)O[C@]2(O)CC[C@@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O ZINC000005538855 KK Annotated Mild O=C1CC([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539129 KK Annotated Anodyne O=C1CC([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539140 KK Annotated Anodyne O=C1CC(C[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539168 KK Annotated Anodyne O=C1CC(C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000005539174 KK Annotated Anodyne COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@@H]2[C@@H](CCCN2C(=O)C[S@](=O)c2ccc(C)cc2)[C@H](Cl)C3)cc1 ZINC000005542008 KK Annotated Reactive COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@@H]2[C@@H](CCCN2C(=O)C[S@@](=O)c2ccc(C)cc2)[C@H](Cl)C3)cc1 ZINC000005542013 KK Annotated Reactive CCOP(=O)(OCC)O[C@@H]1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2[C@@H]1OC ZINC000005542031 KK Annotated Anodyne CCOP(=O)(OCC)O[C@H]1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2[C@@H]1OC ZINC000005542034 KK Annotated Anodyne CCOP(=O)(OCC)O[C@@H]1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2[C@H]1OC ZINC000005542035 KK Annotated Anodyne CCOP(=O)(OCC)O[C@H]1c2[nH]cc(C(=O)OCc3ccccc3)c2-c2cc(C(=O)OC)[nH]c2[C@H]1OC ZINC000005542037 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005542708 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@H]4[C@H]3CC[C@@]21CC ZINC000005542785 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@@H]4[C@H]3CC[C@@]21CC ZINC000005542788 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000005543132 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC2=C(O)[C@@](CC=C(C)C)(C(=O)C(C)C)C(O)=C(C)C2=O)c(O)c(C(=O)C(C)C)c1O ZINC000005543176 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000005543717 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1ccc(O)c(O)c1)=C2O ZINC000005543718 KK Annotated Mild in-vitro biogenic C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/CCOC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000005544604 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/CCOC(=O)c5cccc6cc7ccccc7nc56)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000005544610 KK Annotated Anodyne COC(C)(C)/C=C/c1[nH]c2ccccc2c1CC(=O)NCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000005544658 KK Annotated Anodyne CC(C)=CC(=O)c1[nH]c2ccccc2c1CC(=O)NCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000005544669 KK Annotated Mild CC(=O)N/C(=C\c1ccccc1/C=C(\NC(C)=O)c1nc2cc(C)c(C)cc2[nH]1)c1nc2cc(C)c(C)cc2[nH]1 ZINC000005545283 KK Annotated Anodyne CC(=O)N/C(=C\c1ccc(/C=C(\NC(C)=O)c2nc3cc(Cl)ccc3[nH]2)cc1)c1nc2ccccc2[nH]1 ZINC000005545745 KK Annotated Anodyne O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O)c1ccccc1 ZINC000005545770 KK Annotated Clean CC(C)=NN/C(=N/S(=O)(=O)c1ccc(Oc2cccc(Cl)c2C#N)cc1)Nc1ccc(Cl)cc1 ZINC000005579362 KK Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3cccs3)C2)cc1 ZINC000005579446 KK Annotated Bother COc1cc(S(=O)(=O)Nc2ccc(-c3csc(/N=C\c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579453 KK Annotated Mild COc1cc(/C=N\c2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)c(OC)c4)cc3)cs2)ccc1O ZINC000005579457 KK Annotated Mild COc1cc(S(=O)(=O)Nc2ccc(-c3csc(/N=C\c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000005579458 KK Annotated Mild COc1cc(S(=O)(=O)Nc2ccc(-c3csc(/N=C\C=C\c4ccccc4)n3)cc2)ccc1Cl ZINC000005579460 KK Annotated Mild COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579464 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579466 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579468 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579469 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579470 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579472 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579474 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579477 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000005579490 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579491 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579493 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000005579504 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000005579508 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000005579510 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000005579514 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579515 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579516 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579521 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000005579524 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579526 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579528 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579534 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000005579538 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(/N=C/c4ccccc4O)cc3)cs2)ccc1Cl ZINC000005579566 KK Annotated Mild COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)CS[C@H]4c4cccs4)cc3)cs2)ccc1Cl ZINC000005579596 KK Annotated Clean COc1cc([C@@H]2S[C@H](C)C(=O)N2c2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(OC)c4)n3)cc2)ccc1O ZINC000005579636 KK Annotated Clean COc1cc([C@@H]2S[C@@H](C)C(=O)N2c2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(OC)c4)n3)cc2)ccc1O ZINC000005579641 KK Annotated Clean COc1cc([C@H]2S[C@H](C)C(=O)N2c2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(OC)c4)n3)cc2)ccc1O ZINC000005579644 KK Annotated Clean COc1cc([C@H]2S[C@@H](C)C(=O)N2c2ccc(-c3csc(NS(=O)(=O)c4ccc(Cl)c(OC)c4)n3)cc2)ccc1O ZINC000005579647 KK Annotated Clean CCCCc1ccc(Nc2nc(Cl)c3ncn([C@@H]4C[C@H](Oc5ccc(C)cc5)[C@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000005580022 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ncn([C@@H]4C[C@@H](Oc5ccc(C)cc5)[C@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000005580028 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3c(ncn3[C@@H]3C[C@H](Oc4ccc(C)cc4)[C@H](COc4ccc(C)cc4)O3)n2)cc1 ZINC000005580034 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3c(ncn3[C@@H]3C[C@@H](Oc4ccc(C)cc4)[C@H](COc4ccc(C)cc4)O3)n2)cc1 ZINC000005580040 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ccn([C@@H]4C[C@H](Oc5ccc(C)cc5)[C@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000005580045 KK Annotated Anodyne CCCCc1ccc(Nc2nc(Cl)c3ccn([C@@H]4C[C@@H](Oc5ccc(C)cc5)[C@H](COc5ccc(C)cc5)O4)c3n2)cc1 ZINC000005580051 KK Annotated Anodyne Cc1cc(C)c2c(=N)c3ccccc3n(CCCCCCn3c4ccccc4c(=N)c4c(C)cc(C)nc43)c2n1 ZINC000005580103 KK Annotated Bother CC1(C)[C@@H]2C[C@H]1[C@H](Cc1cccc(C[C@H]3c4cc(-c5ccccn5)ncc4[C@H]4C[C@@H]3C4(C)C)c1)c1cc(-c3ccccn3)ncc12 ZINC000005580113 KK Annotated Anodyne COc1cc2ccc1OCc1cccc(n1)COc1ccc(cc1OC)/C=N\c1ccc(cc1)-c1ccc(cc1)/N=C\2 ZINC000005580380 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1ccc(N(C(C)=O)c3ccccc3)cc1[C@@]21OC(=O)c2ccccc21 ZINC000005580832 KK Annotated Anodyne CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1cccc(C[C@H]3c4cc(-c5ccccn5)ncc4[C@H]4C[C@@H]3C4(C)C)c1)c1cc(-c3ccccn3)ncc12 ZINC000005581426 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)N(c2ccc(OC)cc2[N+](=O)[O-])C(c2ccc(C)cc2)=C[C@@H]1c1ccc(OC)cc1OC ZINC000005581844 KK Annotated Bother CCOCc1c(C)cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]2(C#N)C(=O)OCC)c1C ZINC000005582041 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1nc1ccccc1c2-c1cncc(-c2c3c(nc4ccccc24)C(=O)c2ccccc2C3=O)c1 ZINC000005582146 KK Annotated Clean O=C1c2cccnc2C(=O)c2c1nc1ccccc1c2-c1cncc(-c2c3c(nc4ccccc24)C(=O)c2cccnc2C3=O)c1 ZINC000005582148 KK Annotated Clean CC1(C)CC23CC(C)(C)c4cccc(c42)OCc2ccc4ccc5ccc(nc5c4n2)COc2cccc1c23 ZINC000005582167 KK Annotated Bother COc1ccc(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2ccccc2)c(OC)c1 ZINC000005582259 KK Annotated Mild S=c1oc(CCCCCCCCc2nn(CNc3ccccc3)c(=S)o2)nn1CNc1ccccc1 ZINC000005582371 KK Annotated Anodyne COc1ccc(NCn2nc(CCCCCCCCc3nn(CNc4ccc(OC)cc4)c(=S)o3)oc2=S)cc1 ZINC000005582374 KK Annotated Anodyne Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 ZINC000005582387 KK Annotated Reactive CC1(C)[C@@H]2C[C@H]1[C@H](C(O)[C@@H]1c3cc(-c4ccccn4)ncc3[C@@H]3C[C@H]1C3(C)C)c1cc(-c3ccccn3)ncc12 ZINC000005582393 KK Annotated Anodyne CCOc1ccc(N/C(Cl)=C(Cl)\C(=C(\Nc2ccc(OCC)cc2)n2nnc3ccccc32)[N+](=O)[O-])cc1 ZINC000005582430 KK Annotated Anodyne CCOc1ccc(N/C(=C(C(/Cl)=C(/Cl)Nc2ccccc2)\[N+](=O)[O-])n2nnc3ccccc32)cc1 ZINC000005582434 KK Annotated Anodyne O=[N+]([O-])c1cc2ccc1OCc1cccc(n1)COc1ccc(cc1[N+](=O)[O-])/C=N\CCCCCCCC/N=C\2 ZINC000005582539 KK Annotated Bother COc1ccccc1NCc1nnc(CCCCCCCCc2nnc(CNc3ccccc3OC)o2)o1 ZINC000005582626 KK Annotated Anodyne c1ccc(Nc2nn3c(CCCCCCCCc4nnc5sc(Nc6ccccc6)nn45)nnc3s2)cc1 ZINC000005582630 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCN2CCCC2)n1-c1ccccc1 ZINC000005582798 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCN2CCOCC2)n1-c1ccccc1 ZINC000005582801 KK Annotated Anodyne CN(C)CCCSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1 ZINC000005582802 KK Annotated Anodyne N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCCN2CCCCC2)n1-c1ccccc1 ZINC000005582804 KK Annotated Anodyne Cc1ccc(C(=O)N/N=C(\N=N\c2cccc(Cl)c2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582812 KK Annotated Reactive COc1ccccc1/N=N/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(N(CCC#N)CCC#N)cc1C ZINC000005582813 KK Annotated Reactive COc1cccc(/N=N/C(=N\NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)c1 ZINC000005582815 KK Annotated Reactive Cc1ccc(C(=O)N/N=C(\N=N\c2cccc([N+](=O)[O-])c2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582816 KK Annotated Reactive Cc1ccc(C(=O)N/N=C(\N=N\c2ccc([N+](=O)[O-])cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582817 KK Annotated Reactive Cc1ccc(C(=O)N/N=C(\N=N\c2ccc(C(=O)O)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000005582818 KK Annotated Reactive Cc1ccc([C@@H]2C[C@](O)(c3ccccn3)[C@@H](C(=O)c3ccccn3)[C@H](c3ccc(C)cc3)[C@H]2C(=O)c2ccccn2)cc1 ZINC000005582950 KK Annotated Anodyne COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccccc1C)=N\NC(=O)c1ccc(C)cc1 ZINC000005596227 KK Annotated Reactive COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1cccc(C)c1)=N\NC(=O)c1ccc(C)cc1 ZINC000005596229 KK Annotated Reactive COc1ccccc1/N=N/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(N(CCC#N)CCC#N)cc1OC ZINC000005596230 KK Annotated Reactive COc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1 ZINC000005596232 KK Annotated Reactive COc1cccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2OC)c1 ZINC000005596233 KK Annotated Reactive COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc(C)cc1 ZINC000005596234 KK Annotated Reactive Nc1ccc(Oc2ccc(C34CC5C6CC7(c8ccc(Oc9ccc(N)cc9)cc8)CC5C(C3)C(C7)C6C4)cc2)cc1 ZINC000005596258 KK Annotated Clean CC(=O)O[C@H]1/C(=C/c2ccc(N(C)C)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000005596290 KK Annotated Clean COP(=O)(OC)[C@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccco3)P(=O)(OC)OC)cc2)cc1)c1ccco1 ZINC000005596444 KK Annotated Anodyne COP(=O)(OC)[C@@H](Nc1ccc(Cc2ccc(N[C@@H](c3ccco3)P(=O)(OC)OC)cc2)cc1)c1ccco1 ZINC000005596448 KK Annotated Anodyne COP(=O)(OC)[C@H](Nc1ccc(Cc2ccc(N[C@H](c3ccco3)P(=O)(OC)OC)cc2)cc1)c1ccco1 ZINC000005596450 KK Annotated Anodyne Brc1ccc(/N=C/C=C(\Nc2ccc(Br)cc2)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005596464 KK Annotated Mild Cc1cc(C)n(CC(Cn2nc(C)cc2C)=C(/C(Cl)=C(/Cl)Nc2ccc([N+](=O)[O-])cc2)[N+](=O)[O-])n1 ZINC000005596466 KK Annotated Bother O=c1[nH]c2c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c(Nc3c4ccccc4nc4ccccc34)c([N+](=O)[O-])c2[nH]1 ZINC000005596524 KK Annotated Clean Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)cc4)C4C[C@H]5C6CC7C[C@H](C3[C@@H]5C7)[C@@H]6C4)cc2)cc1 ZINC000005596532 KK Annotated Clean Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)c(O)c5)cc4)C4C[C@H]5C6CC7C[C@H](C3[C@@H]5C7)[C@@H]6C4)cc2)cc1O ZINC000005596533 KK Annotated Anodyne CCn1c2nc(=O)n(CCCCCCCCSC(c3ccccc3)(c3ccccc3)c3ccccc3)c(=O)c-2nc2ccccc21 ZINC000005596633 KK Annotated Bother O=C(N1CCN(c2ccccc2)CC1)N(C(=O)C1(c2ccc(Cl)cc2)CCCC1)S(=O)(=O)c1ccccc1 ZINC000005596766 KK Annotated Anodyne C(=C\CCCN1O[C@@H](CCCCCCCCc2cccnc2)[C@H]2CCC[C@H]21)\CCCCCCCCCc1cccnc1 ZINC000005597095 KK Annotated Anodyne CC[n+]1c(-c2ccccc2)c2cc(/N=N\Nc3cccc(C(=N)N)c3)ccc2c2ccc(/N=N\Nc3cccc(C(=N)N)c3)cc21 ZINC000005608490 KK Annotated Clean O=C1CCCN1CCC/N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1 ZINC000005615912 KK Annotated Bother O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1C=C3c4ccccc4N(c4ccccc4)C32[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000005615989 KK Annotated Anodyne O=C1[C@H]2C3C=C4c5ccccc5N(c5ccccc5)C4([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 ZINC000005615991 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)C1C=C3c4ccccc4N(c4ccccc4)C32[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000005615994 KK Annotated Anodyne O=C1[C@H]2C3C=C4c5ccccc5N(c5ccccc5)C4([C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]34)[C@@H]2C(=O)N1c1ccccc1 ZINC000005615996 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1C=C3c4ccccc4N(c4ccccc4)C32[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000005616044 KK Annotated Anodyne O=C1[C@H]2C3C=C4c5ccccc5N(c5ccccc5)C4([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]34)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000005616045 KK Annotated Anodyne O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1C=C3c4ccccc4N(c4ccccc4)C32[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000005616048 KK Annotated Anodyne O=C1[C@H]2C3C=C4c5ccccc5N(c5ccccc5)C4([C@H]2C(=O)N1Cc1ccccc1)[C@H]1C(=O)N(Cc2ccccc2)C(=O)[C@H]31 ZINC000005616049 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1C[C@@H](OC(=O)CCC(=O)O)C2 ZINC000005706887 KK Annotated Anodyne COc1c(Cc2ccccc2O)c(O)c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000005722820 KK Annotated Anodyne C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O ZINC000005724402 KK Annotated Mild C=C(C)[C@H](CC=C(C)C)C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C1O)C2=O ZINC000005724404 KK Annotated Mild COc1ccc(/C(=N/O)c2ccccc2-c2nc3ccccc3c(=O)n2-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1C ZINC000005729415 KK Annotated Mild CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005732407 KK Annotated Mild CS[C@H]([C@H]1c2ccccc2N(c2ccc(C)cc2)C2=NC(=O)N(C)C(=O)[C@@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732637 KK Annotated Anodyne CS[C@H]([C@@H]1c2ccccc2N(c2ccc(C)cc2)C2=NC(=O)N(C)C(=O)[C@@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732638 KK Annotated Anodyne CS[C@H]([C@H]1c2ccccc2N(c2ccc(C)cc2)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732641 KK Annotated Anodyne CS[C@H]([C@@H]1c2ccccc2N(c2ccc(C)cc2)C2=NC(=O)N(C)C(=O)[C@]21Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000005732643 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1ccc(N(CC)CC)cc1[C@@]21Oc2ccccc2-c2c1c1ccccc1n2CC ZINC000005733003 KK Annotated Anodyne CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCCC3)CCCC2 ZINC000005733262 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@H]1[C@@H]2n2c3ccccc3c3cc(C)c4c(c32)[C@@H]1CC(C)(C)O4 ZINC000005733526 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@H]1[C@H]3CC(C)(C)Oc4c(C)cc5c6ccccc6n(c5c43)[C@@H]21 ZINC000005733527 KK Annotated Anodyne Cc1cc2c([nH]c3ccccc32)c2c1OC(C)(C)[C@@H]1[C@H]3CC(C)(C)Oc4c(C)cc5c6ccccc6n(c5c43)[C@@H]21 ZINC000005733528 KK Annotated Anodyne COc1cc(Cn2c3ccccc3c3cc(C)c4c(c32)C=C[C@](C)(CCC=C(C)C)O4)cc2c1[nH]c1ccccc12 ZINC000005733530 KK Annotated Anodyne CCOc1ccc(/N=N/c2ccc3cc(/C(C)=N/NC(=O)/C(C#N)=C\c4ccc(N(CCC#N)CCC#N)cc4)c(=O)oc3c2)cc1 ZINC000005734125 KK Annotated Reactive c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=N[C@@]34CCCC[C@@H]24)Nc2ccccc2N=5)cc1 ZINC000005741478 KK Annotated Anodyne c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=N[C@@]34CCCC[C@@H]24)Nc2ccccc2N=5)cc1 ZINC000005741479 KK Annotated Anodyne c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4cc5c(cc4=N[C@@]34CCCC[C@H]24)Nc2ccccc2N=5)cc1 ZINC000005741481 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000005741899 KK Annotated Anodyne Oc1cccc2c1[nH]c1c(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6C=CCCCCN6[C@@H]43)C5)nccc12 ZINC000005741900 KK Annotated Anodyne in-vivo CN(C)c1cccc2c1C(=O)C=C[C@]21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)[C@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000005742059 KK Annotated Mild CN(C)c1cccc2c1C(=O)C=C[C@@]21c2ccc(N(C)C)c3c(N(C)C)ccc(c23)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000005742061 KK Annotated Mild c1ccc(-c2nnc(-c3ccccn3)c3c2C[C@H]2C[C@H]4Cc5c(-c6ccccn6)nnc(-c6ccccn6)c5[C@H]4[C@@H]32)nc1 ZINC000005742310 KK Annotated Anodyne COc1ccc(Cc2c(-c3ccc(C)cc3)nnc(O)c2[C@H]2C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000005762882 KK Annotated Anodyne Cc1c[nH]c2c1[C@]13C[C@H]1CN(C(=O)c1cc4cc(NC(=O)c5cc6ccccc6[nH]5)ccc4[nH]1)C3=CC2=O ZINC000005767473 KK Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000005800924 KK Annotated Clean O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000005800926 KK Annotated Clean O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000005800929 KK Annotated Clean O=C1/C(=C/c2ccccc2S)N=C(c2ccccc2)N1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000005800930 KK Annotated Clean CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C ZINC000005800931 KK Annotated Mild CSc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 ZINC000005801049 KK Annotated Reactive CSc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 ZINC000005801050 KK Annotated Reactive CSc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 ZINC000005801051 KK Annotated Reactive CSc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 ZINC000005801053 KK Annotated Reactive CC[C@@H](C)COC(=O)c1ccc(/N=C\c2ccc(/C=N/c3ccc(C(=O)OC[C@H](C)CC)cc3)cc2)cc1 ZINC000005808028 KK Annotated Mild CC[C@H](C)CCOC(=O)c1ccc(/N=C\c2ccc(/C=N/c3ccc(C(=O)OCC[C@@H](C)CC)cc3)cc2)cc1 ZINC000005808031 KK Annotated Mild CC[C@@H](C)CCOC(=O)c1ccc(/N=C\c2ccc(/C=N/c3ccc(C(=O)OCC[C@H](C)CC)cc3)cc2)cc1 ZINC000005808032 KK Annotated Mild O=C1[C@H](N2C(=O)c3ccccc3C2=O)CN1[C@H](COCc1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000005808201 KK Annotated Anodyne CCc1cccc([C@@H](C)CC)c1/N=C(\NC(=O)c1ccccc1C(=O)N/C(=N\c1c(CC)cccc1[C@H](C)CC)SC)SC ZINC000005808768 KK Annotated Mild CCc1cccc([C@H](C)CC)c1/N=C(/NC(=O)c1ccccc1C(=O)N=C(Nc1c(CC)cccc1[C@H](C)CC)SC)SC ZINC000005808771 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)C(=O)[C@]34C[C@@]5(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@]5(C)[C@](O)(O3)C(=O)[C@H]4[C@H]2C1(C)C ZINC000005809106 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=O)[C@]34C[C@@]5(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@]5(C)[C@](O)(O3)C(=O)[C@H]4[C@H]2C1(C)C ZINC000005809109 KK Annotated Anodyne Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(/N=N/c3ccccc3C(=O)O)c2-c2ccccc2)cc1 ZINC000005809872 KK Annotated Clean N#Cc1c2ccccc2c(Cc2ccc3c(c2)OCCOCCOCCOCCOCCO3)c2ccccc12 ZINC000005810528 KK Annotated Mild C1COCCSC2=C(SCCO1)SC(=C1SC3=C(SCCOCCOCCS3)S1)S2 ZINC000005811093 KK Annotated Anodyne COC(=O)N1[C@H]2Cc3c(OC)c(C)c(OC)c(OC)c3[C@@H]1/C(=C\c1cc(OC)c(OC)c(C)c1OC)N(Cc1ccccc1)C2=O ZINC000005811231 KK Annotated Anodyne N#C[C@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1c(O)ccc2ccccc12)c1nc2ccccc2s1 ZINC000005811483 KK Annotated Reactive N#C[C@@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1c(O)ccc2ccccc12)c1nc2ccccc2s1 ZINC000005811485 KK Annotated Reactive CC(C)(C)c1ccc2c(c1)OP1(Oc3c(Cl)cc(Cl)c4cccnc34)(O2)Oc2ccc(C(C)(C)C)cc2O1 ZINC000005811523 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)OP1(Oc3cccc4cccnc34)(O2)Oc2ccc(C(C)(C)C)cc2O1 ZINC000005811529 KK Annotated Anodyne CCCCCC(=O)Cc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CC(=O)CCCCC)c1O2 ZINC000005812135 KK Annotated Anodyne C[C@H](CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005812252 KK Annotated Bother Cc1ccc(SC(CCC(Sc2ccc(C)cc2)Sc2ccc(C)cc2)Sc2ccc(C)cc2)cc1 ZINC000005813154 KK Annotated Anodyne c1ccc(SC(CCCCC(Sc2ccccc2)Sc2ccccc2)Sc2ccccc2)cc1 ZINC000005813175 KK Annotated Anodyne CC1(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 ZINC000005813234 KK Annotated Reactive CC1(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@@H](Br)[C@H](Br)C(=O)C(C)(C)c2ccc1o2 ZINC000005813237 KK Annotated Reactive CC1(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 ZINC000005813238 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NC(=O)OCc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC ZINC000005822409 KK Annotated Reactive N#C[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@@H](C#N)c2ccccc2)cc1 ZINC000005822512 KK Annotated Mild N#C[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@@H](C#N)c2ccccc2)cc1 ZINC000005822513 KK Annotated Mild N#C[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1ccc(C(=O)N(CCc2ccccc2)[C@H](C#N)c2ccccc2)cc1 ZINC000005822515 KK Annotated Mild Cc1cc(NCc2ccccc2)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(NCc2ccccc2)c2ccccc21 ZINC000005822607 KK Annotated Anodyne Cc1cc(N(C)C)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N(C)C)c2ccccc21 ZINC000005822608 KK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005822705 KK Annotated Anodyne Cc1ccc(OC[C@H]2O[C@@H](n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005822706 KK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4nc(Nc5ccc(Cl)c(Cl)c5)nc(Cl)c43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005822707 KK Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3ccc(Cl)cc3)[C@H](C(=O)c3ccc(Cl)cc3)C2)C(=O)c2ccccc2N1 ZINC000005822781 KK Annotated Anodyne O=C1C[C@@]2(CC[C@](O)(c3ccc4ccccc4c3)[C@@H](C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 ZINC000005822803 KK Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3ccc4ccccc4c3)[C@H](C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 ZINC000005822804 KK Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3ccc4ccccc4c3)[C@@H](C(=O)c3ccc4ccccc4c3)C2)C(=O)c2ccccc2N1 ZINC000005822805 KK Annotated Anodyne O=C1C[C@@]2(CC[C@](O)(c3cccc4ccccc34)[C@@H](C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 ZINC000005822807 KK Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3cccc4ccccc34)[C@H](C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 ZINC000005822808 KK Annotated Anodyne O=C1C[C@]2(CC[C@](O)(c3cccc4ccccc34)[C@@H](C(=O)c3cccc4ccccc34)C2)C(=O)c2ccccc2N1 ZINC000005822809 KK Annotated Anodyne Cc1ccc(O)c(C(c2ccc(C(c3cc(C)ccc3O)c3cc(C)ccc3O)cc2)c2cc(C)ccc2O)c1 ZINC000005822839 KK Annotated Anodyne CCN1CC[C@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823029 KK Annotated Anodyne CCN1CC[C@@](O)(c2ccc(Oc3ccc(C)cc3)cc2)[C@H](C(=O)c2ccc(Oc3ccc(C)cc3)cc2)C1 ZINC000005823030 KK Annotated Anodyne CC(C)(CC#N)c1cc(CC(C)(C)c2cc(CC(C)(C)c3cc(C(C)(C)C4(C)OCCO4)no3)no2)no1 ZINC000005823037 KK Annotated Mild CN(C)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](NC(=O)N[C@@H](Cc5ccccc5)c5nccs5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000005832719 KK Annotated Anodyne CCOc1ccc(/N=N/c2c(-c3ccccc3)nn(C(=O)CC(=O)Nc3ccccc3Cl)c2-c2ccccc2)cc1 ZINC000005832963 KK Annotated Clean Cc1ccc(NC(=O)CC(=O)n2nc(-c3ccccc3)c(/N=N\c3ccccc3[N+](=O)[O-])c2-c2ccccc2)cc1 ZINC000005832974 KK Annotated Clean COc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(/N=N/c2ccccc2[N+](=O)[O-])c1-c1ccccc1 ZINC000005832981 KK Annotated Clean Cc1ccccc1NC(=O)CC(=O)n1nc(-c2ccccc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000005832998 KK Annotated Clean CC(C)(C)[C@@H]1CC[C@H]2c3c([nH]c4ccc(Br)cc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2C1 ZINC000005833252 KK Annotated Anodyne CC(C)(C)[C@H]1CC[C@H]2c3c([nH]c4ccc(Br)cc34)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2C1 ZINC000005833256 KK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)C[C@H]2Oc2ccc(C)cc2)cc1 ZINC000005833724 KK Annotated Anodyne Cc1ccc(OC[C@H]2O[C@@H](n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005833729 KK Annotated Anodyne Cc1ccc(OC[C@@H]2O[C@@H](n3cnc4c(Cl)nc(Nc5cc(Cl)cc(Cl)c5)nc43)C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000005833738 KK Annotated Anodyne CSc1nc(Br)nc2ncn([C@H]3C[C@@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)c12 ZINC000005833896 KK Annotated Anodyne CSc1nc(Br)nc2ncn([C@H]3C[C@H](Oc4ccc(C)cc4)[C@@H](COc4ccc(C)cc4)O3)c12 ZINC000005833907 KK Annotated Anodyne Oc1c2cccc1Cc1cccc3c1OCCOCCOCCOCCOc1c(cccc1Cc1cccc(c1O)C3)C2 ZINC000005834949 KK Annotated Anodyne CCCCC[C@@H]1OC1(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000005834977 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](CC(=O)Oc1cccc([N+](=O)[O-])c1)C2 ZINC000005835412 KK Annotated Bother Cc1ccc(/N=C2/C(c3ccccc3)=C(SC3=C(c4ccccc4)/C(=N/c4ccc(C)cc4)c4ccccc43)c3ccccc32)cc1 ZINC000005835433 KK Annotated Mild COc1nc2c(c(=O)n1C)N=C(c1ccccc1)[C@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000005835995 KK Annotated Anodyne COc1nc2c(c(=O)n1C)N=C(c1ccccc1)[C@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[C@H](c1ccccc1)N2 ZINC000005835998 KK Annotated Anodyne CSc1nc2c(c(=O)n1C)N=C(c1ccccc1)[C@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000005836010 KK Annotated Anodyne CSc1nc2c(c(=O)n1C)N=C(c1ccccc1)[C@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[C@H](c1ccccc1)N2 ZINC000005836015 KK Annotated Anodyne CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@H](C1)[C@H]23 ZINC000005836649 KK Annotated Anodyne in-vitro biogenic O=C(CNc1c(Cl)cccc1Cl)N[C@@H]1C=Cc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2C1=O ZINC000005838430 KK Annotated Anodyne COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000005838544 KK Annotated Clean CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)C[C@](O)(c2ccc(OC)cc2)[C@H](C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000005838975 KK Annotated Anodyne C=CC(C)(C)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C ZINC000005839078 KK Annotated Mild C=CCc1ccc(Oc2cc(CC=C)c3c(c2O)O[C@@H](CO)[C@H]3c2ccc(O)c(-c3cc(CC=C)ccc3O)c2)cc1 ZINC000005839607 KK Annotated Mild C=CCc1ccc(O)c(-c2cc([C@H]3Oc4c(-c5cc(CC=C)ccc5O)cc(O)cc4[C@@H]3CO)ccc2O)c1 ZINC000005839613 KK Annotated Mild CCCCSC(=CC(=O)c1cccc(C(=O)C=C(SCCCC)SCCCC)n1)SCCCC ZINC000005839630 KK Annotated Mild C=CC(C)(C)N[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2nc(C(=O)OCC=C(C)C)c(C)o2)c(C)o1)C(C)C ZINC000005839825 KK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1 ZINC000005839876 KK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1 ZINC000005839880 KK Annotated Mild C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1 ZINC000005839887 KK Annotated Mild C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)c1cc(O)c(O)c(Oc2cc([C@@](C)(C=C)CC/C=C(\C)CCC=C(C)C)ccc2O)c1 ZINC000005839900 KK Annotated Mild N#CCCN(CCCN(CCCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000005839935 KK Annotated Mild N#CCCN(CCN(CCN(C(=O)Nc1ccccc1)c1ccccc1)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 ZINC000005839992 KK Annotated Mild C[C@H](c1ccccc1)N1C(=O)[C@@H](OCc2ccccc2)[C@H]1[C@H](COC(=O)COCc1ccccc1)OCc1ccccc1 ZINC000005840823 KK Annotated Anodyne Oc1c2cc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc1COCCOCCOCCOCCOC2 ZINC000005841176 KK Annotated Anodyne COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](c5ccccc5)CC[C@@H]4c4c([nH]c5ccc(OC)cc45)[C@@H]3C2=O)cc1 ZINC000005841498 KK Annotated Anodyne O=C(OC/C=C1\C=C(OC(=O)c2ccccc2)/C(=N/N(C(=O)c2ccccc2)c2ccccc2)O1)c1ccccc1 ZINC000005841787 KK Annotated Reactive CC(=O)ON(C(C)=O)[C@@H]1[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]2OC3(CCCC3)O[C@@H]21 ZINC000005841855 KK Annotated Mild COC(=O)[C@H]([C@H]1CC[C@H](OCc2ccccc2)[C@@]1(O)COCc1ccccc1)[C@](C)(O)CCc1ccccc1 ZINC000005841978 KK Annotated Anodyne COC(=O)[C@H]([C@H]1CC[C@H](OCc2ccccc2)[C@@]1(O)COCc1ccccc1)[C@@](C)(O)CCc1ccccc1 ZINC000005841986 KK Annotated Anodyne COC(=O)[C@@H]([C@H]1CC[C@H](OCc2ccccc2)[C@@]1(O)COCc1ccccc1)[C@](C)(O)CCc1ccccc1 ZINC000005841992 KK Annotated Anodyne COC(=O)[C@@H]([C@H]1CC[C@H](OCc2ccccc2)[C@@]1(O)COCc1ccccc1)[C@@](C)(O)CCc1ccccc1 ZINC000005841996 KK Annotated Anodyne CCC/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/CCC)c4c3O)c(O)c12 ZINC000005842159 KK Annotated Mild CCc1c(O)c(O)c(C(C)=O)c2c(O)c(-c3c(C)cc4c(CC)c(O)c(O)c(C(C)=O)c4c3O)c(C)cc12 ZINC000005842167 KK Annotated Clean C1CSC2=C(S1)SC1=C(S2)SC(=C2SC3=C(SC4=C(SCCS4)S3)S2)S1 ZINC000005842883 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC ZINC000005844024 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC ZINC000005844028 KK Annotated Reactive COc1cc(/C=C2\CC[C@@H](C)C3=C2NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000005844446 KK Annotated Anodyne COc1cc(/C=C2\CC[C@H](C)C3=C2NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000005844448 KK Annotated Anodyne COc1cc(/C=C2\CC[C@@H](C)C3=C2NC(=S)N[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000005844454 KK Annotated Anodyne COc1cc(/C=C2\CC[C@@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc(OC)c1OC ZINC000005844805 KK Annotated Reactive CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1 ZINC000005846554 KK Annotated Anodyne CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(OC)c(OC)c1 ZINC000005846563 KK Annotated Anodyne CCOC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1 ZINC000005846565 KK Annotated Anodyne COC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@H]3c1ccc(Cl)cc1 ZINC000005846570 KK Annotated Anodyne COc1nc2sc3c(c2c(=O)n1CCCSSCCCn1c(OC)nc2sc4c(c2c1=O)CCCC4)CCCC3 ZINC000005847089 KK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\C=C(/C)c4ccc(C)c(=O)o4)[C@@]3(C)CC[C@H]2C1(C)C ZINC000005847952 KK Annotated Mild COC(=O)C1=C(C(=O)NNc2ccccc2)N(c2cccnc2Cl)C(c2ccccc2)=C[C@@H]1c1ccccc1 ZINC000005848497 KK Annotated Reactive Brc1ccc(C(=N/Sc2ccccc2)/N=N/C(=N\Sc2ccccc2)c2ccc(Br)cc2)cc1 ZINC000005848781 KK Annotated Mild COC(=O)C(C)(C)OCc1ccc([C@H]2NC(=O)N(c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000005850171 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc([N+](=O)[O-])cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000005850993 KK Annotated Anodyne CCCCCCC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000005852740 KK Annotated Anodyne CCCCCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000005852810 KK Annotated Anodyne c1ccc(C2(c3ccccc3)S/C(=C3/SC(c4ccccc4)(c4ccccc4)c4ccccc43)c3ccccc32)cc1 ZINC000005852994 KK Annotated Anodyne O=C1CN2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 ZINC000005854131 KK Annotated Bother Cc1c(C(=O)C(=O)c2ccccc2)c(C)c(C(=O)C(=O)c2ccccc2)c(C)c1C(=O)C(=O)c1ccccc1 ZINC000005854158 KK Annotated Clean COc1ccc(NC(=O)CC(=O)NN[C@@H](Sc2ccccc2)c2cc(/N=N/c3ccc(Br)cc3)ccc2O)cc1 ZINC000005855031 KK Annotated Reactive CO/N=C(\C(=O)Nc1cncs1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000005856143 KK Annotated Mild O=C1C=CC(=CC=C2C=CN(CCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)O)C=C2)C=C1 ZINC000005882261 KK Annotated Mild COC1=C(C(=O)OC(C)(C)C)[C@]23CCCC[C@]2(C(C(=O)OC(C)(C)C)=C(OC)[C@@H]3C(=O)OC(C)(C)C)[C@@H]1C(=O)OC(C)(C)C ZINC000005882510 KK Annotated Anodyne COC1=C(C(=O)OC(C)(C)C)[C@]23CCCC[C@]2(C(C(=O)OC(C)(C)C)=C(OC)[C@@H]3C(=O)OC(C)(C)C)[C@H]1C(=O)OC(C)(C)C ZINC000005882513 KK Annotated Anodyne COC1=C(C(=O)OC(C)(C)C)[C@]2(C)[C@@H](C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@]2(C)[C@H]1C(=O)OC(C)(C)C ZINC000005882746 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)OCO5)N(C)CC4 ZINC000005882803 KK Annotated Anodyne COC1=CC2=C3[C@H](Cc4cc5c(c(c4)Oc4ccc(cc4)C[C@@H]4c6cc7c(cc6CCN4C)OC[C@@]3(O7)C1=O)OCO5)N(C)CC2 ZINC000005882808 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@]21C ZINC000005882909 KK Annotated Anodyne COc1cc(Br)c(C[C@@]2(C#N)c3ccccc3[C@@H]3[C@H](N2C(=O)c2ccccc2)C3(Cl)Cl)cc1OC ZINC000005883486 KK Annotated Mild C=CC[C@@]1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@@H]2[C@@H]1C(C(=O)OC(C)(C)C)=C(OC)[C@]2(CC=C)C(=O)OC(C)(C)C ZINC000005883571 KK Annotated Mild C=CC[C@]1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@@H]2[C@@H]1C(C(=O)OC(C)(C)C)=C(OC)[C@]2(CC=C)C(=O)OC(C)(C)C ZINC000005883576 KK Annotated Anodyne C=CC[C@@]1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@@H]2[C@H]1C(C(=O)OC(C)(C)C)=C(OC)[C@]2(CC=C)C(=O)OC(C)(C)C ZINC000005883579 KK Annotated Mild C=CC[C@]1(C(=O)OC(C)(C)C)C(OC)=C(C(=O)OC(C)(C)C)[C@@H]2[C@H]1C(C(=O)OC(C)(C)C)=C(OC)[C@]2(CC=C)C(=O)OC(C)(C)C ZINC000005883581 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@@]3(C(/C=C/c4ccccc4)=Nc4ccccc43)[C@@H]2c2ccccc2)cc1 ZINC000005883959 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CC[C@]3(C(/C=C/c4ccccc4)=Nc4ccccc43)[C@@H]2c2ccccc2)cc1 ZINC000005883964 KK Annotated Anodyne CN1CCc2cc(O)c3cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc4c(c2O3)OCO4)CCN1C ZINC000005888491 KK Annotated Anodyne CN1CCc2cc(O)c3cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc4c(c2O3)OCO4)CCN1C ZINC000005888494 KK Annotated Anodyne N#C[C@@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000005889168 KK Annotated Reactive N#C[C@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000005889174 KK Annotated Reactive CCCCCCC(=O)C/C(CCC(=O)N(Cc1ccccc1)Cc1ccccc1)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005890960 KK Annotated Mild C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O ZINC000005891286 KK Annotated Reactive COc1ccc([C@@H]2c3cc(OC)c(OC)cc3[C@H](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005891818 KK Annotated Bother COc1ccc([C@H]2c3cc(OC)c(OC)cc3[C@H](Cc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000005891821 KK Annotated Bother O/N=C1C(=C/c2ccc(OCc3ccccc3)cc2)/CCC[C@H]/1[C@H](NO)c1ccc(OCc2ccccc2)cc1 ZINC000005891895 KK Annotated Mild O/N=C1C(=C/c2ccc(OCc3ccccc3)cc2)/CCC[C@@H]/1[C@@H](NO)c1ccc(OCc2ccccc2)cc1 ZINC000005891899 KK Annotated Mild O/N=C1C(=C/c2ccc(OCc3ccccc3)cc2)/CCC[C@H]/1[C@@H](NO)c1ccc(OCc2ccccc2)cc1 ZINC000005891902 KK Annotated Mild COc1cc([C@@H]2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc(OC)c1OC ZINC000005922246 KK Annotated Anodyne O=C1c2cccnc2C(=O)c2c1nc1ccccc1c2-c1ccc2c3c(nc4ccccc42)C(=O)c2cccnc2-c13 ZINC000005922348 KK Annotated Clean CCOc1nc2sc3c(c2c(=O)n1CCSSCCn1c(OCC)nc2sc4c(c2c1=O)CCCC4)CCCC3 ZINC000005922369 KK Annotated Reactive COC(=O)c1cc(C(=CCCN=[N+]=[N-])c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000005922385 KK Annotated Clean N#CCCN(CCCN(C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1 ZINC000005922469 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000005923018 KK Annotated Reactive NC[C@@H](O)CNCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC/C=C\CCNC[C@H](O)CN ZINC000005923264 KK Annotated Anodyne NC[C@H](O)CNCC/C=C\CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCNC[C@H](O)CN ZINC000005923267 KK Annotated Anodyne NC[C@H](O)CNCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC/C=C\CCNC[C@H](O)CN ZINC000005923270 KK Annotated Anodyne NC[C@H](O)CNCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC/C=C\CCNC[C@@H](O)CN ZINC000005923271 KK Annotated Anodyne Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 ZINC000005923465 KK Annotated Anodyne Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)o3)o2)ccc2ccccc12 ZINC000005923469 KK Annotated Anodyne Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)o2)o1 ZINC000005923472 KK Annotated Anodyne Nn1c(CCCCCCCCc2nnc(COc3ccc4ccccc4c3O)n2N)nnc1COc1ccc2ccccc2c1O ZINC000005923483 KK Annotated Anodyne Nn1c(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2N)nnc1COc1c(O)ccc2ccccc12 ZINC000005923485 KK Annotated Anodyne Nn1c(CCCCCCCCc2nnc(COc3ccc(Cl)cc3Cl)n2N)nnc1COc1ccc(Cl)cc1Cl ZINC000005923488 KK Annotated Anodyne Clc1ccc(Nc2nnc(CCCCCCCCc3nnc(Nc4ccc(Cl)cc4)o3)o2)cc1 ZINC000005923490 KK Annotated Anodyne Oc1ccc(O)c(Sc2nnc(CCCCCCCCc3nnc(Sc4cc(O)ccc4O)o3)o2)c1 ZINC000005923493 KK Annotated Anodyne S=c1oc(CCCCCCCCc2nn(CNc3ccc(Cl)cc3)c(=S)o2)nn1CNc1ccc(Cl)cc1 ZINC000005923501 KK Annotated Anodyne C/C=C\[C@H](CC(=O)OC)CC(=O)N(CC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)Cc1ccc(OC)cc1OC ZINC000005923661 KK Annotated Anodyne C/C=C\[C@@H](CC(=O)OC)CC(=O)N(CC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)Cc1ccc(OC)cc1OC ZINC000005923663 KK Annotated Anodyne C/C=C\[C@H](CC(=O)OC)CC(=O)N(CC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)Cc1ccc(OC)cc1OC ZINC000005923665 KK Annotated Anodyne C/C=C\[C@@H](CC(=O)OC)CC(=O)N(CC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21)Cc1ccc(OC)cc1OC ZINC000005923668 KK Annotated Anodyne COc1ccc([C@]23CCC4(OCC(C)(C)CO4)[C@H]4CON(O[C@H](O[C@@H]5CCCC[C@H]5C(C)(C)c5ccccc5)C2)[C@@H]43)cc1OC ZINC000005923727 KK Annotated Anodyne C=CC1(CC[C@]2(c3ccc(OC)c(OC)c3)C=[N+]([O-])O[C@H](O[C@@H]3CCCC[C@H]3C(C)(C)c3ccccc3)C2)OCC(C)(C)CO1 ZINC000005923730 KK Annotated Mild CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@@H]2CCCC[C@@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923774 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC[C@@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923776 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@@H]2CCCC[C@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923779 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC[C@H]2c2ccccc2)[C@@H]1OC(C)=O ZINC000005923780 KK Annotated Anodyne COC(=O)CCCC=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1 ZINC000005923808 KK Annotated Anodyne O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)c1cc2ccccc2o1 ZINC000005923942 KK Annotated Reactive O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1)c1cc2ccccc2o1 ZINC000005923947 KK Annotated Reactive c1cc(-c2ccc(-c3ccc(-c4ccc(-c5cccc6nsnc56)[nH]4)c4nsnc34)[nH]2)c2nsnc2c1 ZINC000005924981 KK Annotated Anodyne O=C1c2ccccc2-c2c1c(-c1ccccc1)c1n2C2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000005924994 KK Annotated Clean O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@H](c2ccccc2)N1c1ccccc1Cl ZINC000005939610 KK Annotated Anodyne O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@@H](c2ccccc2)N1c1ccccc1Cl ZINC000005939614 KK Annotated Anodyne O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@H](c2ccccc2)N1c1cc(Cl)ccc1Cl ZINC000005939628 KK Annotated Anodyne O=C1/C(=C\c2cccc(Oc3ccccc3)c2)S(=O)(=O)[C@@H](c2ccccc2)N1c1cc(Cl)ccc1Cl ZINC000005939629 KK Annotated Anodyne Cc1ccc(/C=C/C(=N/NC(=O)N/N=C(/C=C/c2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1 ZINC000005940152 KK Annotated Reactive CC(C)CC(=O)C[C@H](C)[C@]1(CCCOCc2ccccc2)C(=O)N2CCC3(C[C@@]24CCC[C@@H]14)OCCO3 ZINC000005940652 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(Br)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000005941074 KK Annotated Anodyne COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(OCc6ccccc6)cc5c4[C@@H]4CC[C@H](C(C)(C)C)C[C@H]4[C@H]3C2=O)cc1 ZINC000005941085 KK Annotated Anodyne O=C1N/C(=N\C2CCCCC2)C2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)N1c1ccccc1 ZINC000005941808 KK Annotated Mild CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000005946931 KK Annotated Anodyne CCN(CC)CCCN(C(=O)c1ccc(-c2ccccc2)[nH]1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 ZINC000005946934 KK Annotated Anodyne c1cc2nnc1SCCCSc1ccc(nn1)SCCCSc1ccc(nn1)SCCCS2 ZINC000005954851 KK Annotated Anodyne COC(=O)CCCC1(CCCC(=O)OC)CCCCCCCCC(CCCC(=O)OC)(CCCC(=O)OC)C(=O)C1=O ZINC000005955683 KK Annotated Clean CCOC(=O)CCC1(CCC(=O)OCC)CCCCCCCCC(CCC(=O)OCC)(CCC(=O)OCC)C(=O)C1=O ZINC000005955684 KK Annotated Clean C/C(=N/NC(=S)Nc1ccccc1Cl)c1cccc(/C(C)=N\NC(=S)Nc2ccccc2Cl)n1 ZINC000005957322 KK Annotated Mild O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O ZINC000005983633 KK Annotated Anodyne COc1cc(-c2cccc(OC)c2OC)cc2c1OCCN(Cc1c[nH]nc1-c1ccc(Cl)cc1)C2 ZINC000055310506 KK Annotated Anodyne Cc1csc(=N)n1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000055652086 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000055753309 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C([C@@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000055768118 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000055768120 KK Annotated Mild C=C(C)[C@@H]1C[C@@H](C[C@@]2(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000055768122 KK Annotated Mild CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OCCC4CCNCC4)cc23)[C@@H](CC)C1 ZINC000055780051 KK Annotated Mild C[n+]1ccc(Nc2ccc(S(=O)(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 ZINC000055840228 KK Annotated Reactive Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1 ZINC000055843139 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1 ZINC000055843140 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N1CCN(C)CC1 ZINC000055843141 KK Annotated Mild C/C=C1/CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1[C-]1C=[N+]2c3ccccc3[C@@]34CCN5CC6=CCO[C@@H]1[C@@H]([C@H]23)[C@H]6C[C@H]54 ZINC000056683233 KK Annotated Anodyne CC[C@@H]1CN2CC[C@@]34C(=Nc5ccccc53)[C@@]3(C[C-]5C6=[N+](C3)c3ccccc3[C@@]63CCN6C[C@@H](CC)[C@@H]5C[C@H]63)[C@H]1C[C@H]24 ZINC000056719875 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCN(c3cc(Oc4ccc(C[C@@](C)(Oc5ccccc5)C(=O)O)cc4)nc(N)n3)CC2)cc1 ZINC000056836655 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@@H]1c1cccc(OC(F)(F)F)c1)C(F)(F)F ZINC000056851044 KK Annotated Mild C/C=C1C(=C\c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)[C@@H]\1C ZINC000056871252 KK Annotated Anodyne in-vitro COC(C)(C)CCC(=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/c1ccc(C)c(C)c1C ZINC000056874224 KK Annotated Mild in-vitro CO/C(=C/C(=O)N1C(=O)C=C[C@@H]1C)CCNC(=O)CC/C=C/[C@@H](C)CC/C(=C/Cl)CCCC#CBr ZINC000056875042 KK Annotated Mild in-vitro CO/C(=C/C(=O)N1C(=O)C=C[C@@H]1C)CCNC(=O)CC/C=C/[C@H](C)CC/C(=C/Cl)CCCC#CBr ZINC000056875044 KK Annotated Mild in-vitro CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Cl)C[C@]4(C)[C@H]3CC[C@]12C ZINC000056897646 KK Annotated Reactive in-man C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000056897689 KK Annotated Mild in-man C[C@](Cc1ccc(Oc2cc(N3CCN(Cc4cccc5ccccc45)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000056948324 KK Annotated Anodyne C[C@](Cc1ccc(Oc2cc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000056948328 KK Annotated Anodyne C[C@](Cc1ccc(Oc2cc(N3CCN(c4cccc(Cl)c4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)O ZINC000056948333 KK Annotated Anodyne Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccc(F)cc3)[C@]23CC[C@]2(C3=O)[C@@H](c3ccc(F)cc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000058468261 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccc(F)cc2)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000058468285 KK Annotated Clean CCCOc1ccc2c(c1)C(=O)C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)=C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)C2=O ZINC000058468458 KK Annotated Mild COc1c(C)c(OC)c(OC)c2c1C[C@H]1N[C@@H]2[C@@H]2Cc3c(OC)c(C)c(OC)c(OC)c3[C@H](COC(=O)c3cccc4ccccc34)N2C1=O ZINC000058468528 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)CCC(=O)NCC(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000058468530 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000058468606 KK Annotated Anodyne O=C(CCCc1ncc(C(F)(F)F)cc1C1CCCCC1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058468668 KK Annotated Clean COCC/C(SC(=O)N1CCCC1=O)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)N1CCCC1=O ZINC000058468714 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(OC)c(OCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)c3)o2)cc1OC ZINC000058468716 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2ccnc3nc(-c4ncc(Br)cc4C(F)(F)F)cnc23)nc1 ZINC000058468755 KK Annotated Anodyne COC1=C(OC)C(=O)C(CCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O ZINC000058468787 KK Annotated Reactive C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnc3C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6ccnc6C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058468799 KK Annotated Mild C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 ZINC000058468827 KK Annotated Reactive CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000058480314 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000058480407 KK Annotated Anodyne C[C@H]1/C(=N/N=C2\NC(=O)CS2)C[C@H](c2ccc(Br)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000058480517 KK Annotated Mild O=[N+]([O-])c1ccc([C@@H]2O[C@@H]3C(c4ccc(Cl)cc4)=Nc4ccccc4N3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000058480532 KK Annotated Bother CC(C)=C[C@@H]1C[C@](O)([C@H]2CC[C@@H]3[C@@H]2CC[C@H]2[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](OC(=O)c4cccc([N+](=O)[O-])c4)CC[C@]23C)C(=O)O1 ZINC000058482304 KK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(c5c(=O)n(C)c(=O)c6c(C)c(cc1[nH]2)nc56)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3[C@H](C)OC ZINC000058482379 KK Annotated Anodyne O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058482504 KK Annotated Anodyne CCCOc1c(C(=O)N[C@@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCC ZINC000058482520 KK Annotated Anodyne C=C(CN(C)C)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058482522 KK Annotated Mild CCN(CC)/C(=N/C(=N)Nc1ccc(Cl)c(Cl)c1)NCCCCCCN/C(=N\C(=N)Nc1ccc(Cl)c(Cl)c1)N(CC)CC ZINC000058482920 KK Annotated Mild CC[C@@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCCC1 ZINC000058487113 KK Annotated Mild C[C@@H]1N[C@H](CCCCCCCCCCc2cc(CCCCCCCCCC[C@@H]3CC[C@H](O)[C@@H](C)N3)c3[n+](c2)CCC3)CC[C@H]1O ZINC000058487136 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)N(Cc2ccccc2)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000058487592 KK Annotated Anodyne COc1ccc(CCN2C(=S)N[C@H]3c4cccc(OC)c4O[C@]2(C)[C@H]3C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000058487647 KK Annotated Anodyne O=C(N/N=C/c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058487727 KK Annotated Reactive C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000058487833 KK Annotated Anodyne CCN(CC)/C(=N/C(=N)Nc1ccc(Br)cc1)NCCCCCCN/C(=N\C(N)=N\c1ccc(Br)cc1)N(CC)CC ZINC000058488195 KK Annotated Mild CN(C)CCC/N=C1/c2c([nH]c3ccc(Cl)cc3c2=O)C[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1Cc1ccccc1 ZINC000058491959 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5ccccc56)[C@@H]1CC4)[C@H]23 ZINC000058492016 KK Annotated Anodyne in-vivo CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CC(C)C)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(C#N)cc1 ZINC000058492038 KK Annotated Mild CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000058492157 KK Annotated Anodyne CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)NC[C@](C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000058493873 KK Annotated Anodyne Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 ZINC000058494017 KK Annotated Reactive CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)c(=O)o1 ZINC000058494480 KK Annotated Anodyne CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccnc1)c1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000058496171 KK Annotated Anodyne C=CCCCCCCCCN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)C(=O)O[C@H](CC=C)c1ccccc1 ZINC000058496424 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccccc1F)OCc1ccc(F)cc1 ZINC000058497476 KK Annotated Anodyne O[C@H]([C@H](COCc1ccccc1)OCc1c(F)cccc1F)[C@@H](O)[C@H](COCc1ccccc1)OCc1c(F)cccc1F ZINC000058497509 KK Annotated Anodyne O[C@H]([C@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1c(F)cccc1F)OCc1ccc(F)cc1 ZINC000058497545 KK Annotated Anodyne N#Cc1ccc(COC[C@H](OCc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COCc2ccc(C#N)cc2)OCc2ccccc2)cc1 ZINC000058497595 KK Annotated Mild O=C(CCCCCN1c2ccccc2Sc2ccccc21)OCc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000058498245 KK Annotated Anodyne COc1cc(CNC(=O)C[C@@H](C)CC(=O)N2CCCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc(OC)c1OC ZINC000058498723 KK Annotated Anodyne CC(C)[C@@H](O)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(OC(F)(F)C(F)F)c1 ZINC000058499073 KK Annotated Mild CC(C)n1nc(C(F)F)cc1C(=O)Nc1ccc([C@H]2[C@@H](O)CCCc3cncn32)c(-c2ccccc2)c1 ZINC000584904665 KK Annotated Anodyne N=c1ccc2c3ccc(N)cc3c(-c3ccccc3)n(CCCCCc3cnnn3CCN=c3c4c([nH]c5ccccc35)CCCC4)c-2c1 ZINC000584904763 KK Annotated Bother CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3C#CCC3(NC(=O)c4ccc(F)cc4)CC3)ccc2nc1N ZINC000584904820 KK Annotated Mild CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3CCc3ccc(NC(=O)c4ccc(F)cc4)cn3)ccc2nc1N ZINC000584904838 KK Annotated Anodyne CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)[C@@]1(O)Cc1ccc(Cl)cc1 ZINC000584904891 KK Annotated Anodyne CC(C)(O)c1ccc2c(c1)[nH]c1c(C(N)=O)ccc(-c3cccc(-n4cnc5ccccc5c4=O)c3F)c12 ZINC000584904913 KK Annotated Anodyne Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 ZINC000584904918 KK Annotated Clean CCC(=O)Nc1ccccc1Nc1nc(N=c2cc[nH]c(C#CCCNC(=O)O[C@H]3CCC=CCCC3)c2)ncc1Cl ZINC000584904955 KK Annotated Mild N=c1ccc2c3ccc(N)cc3c(-c3ccccc3)n(CCCCCc3cn(CCN=c4c5c([nH]c6ccccc46)CCCC5)nn3)c-2c1 ZINC000584904995 KK Annotated Bother Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCCCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1 ZINC000584905112 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)c(Oc1c(Cl)cccc1C(F)(F)F)nn2-c1ccc(C(=O)O)cc1 ZINC000584905118 KK Annotated Anodyne Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1 ZINC000584905119 KK Annotated Anodyne COc1cc2c(cc(C#N)n2Cc2cn[nH]c2)c(C)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000584905137 KK Annotated Mild CCOCc1cccc(NC(=O)c2cc3sccc3n2C)c1COc1ccc(OC[C@@H]2CCNC2)cc1 ZINC000584905208 KK Annotated Anodyne CCn1c(C(=O)Nc2cccc(COC)c2COc2ccc(OC[C@@H]3CCNC3)cc2)cc2sccc21 ZINC000584905237 KK Annotated Anodyne CC(C)Oc1ccc(CN(CCC(N)=O)C(=O)c2cnn(Cc3ccccc3)c2-c2ccc3sccc3c2)cc1 ZINC000584905251 KK Annotated Anodyne Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(c4nn[nH]n4)CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 ZINC000584905262 KK Annotated Anodyne Cn1ccc2c(S(=O)(=O)N(CC(F)(F)F)c3ccc4c(c3)CCCN4C(=O)c3cccs3)cccc21 ZINC000584905274 KK Annotated Anodyne O=C(O)CCC/C=C/c1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@@H](S(=O)(=O)Oc4cccc(Cl)c4)[C@H]2O3)cc1 ZINC000584905364 KK Annotated Anodyne O=C(O)CCC/C=C\c1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@@H](S(=O)(=O)Oc4cccc(Cl)c4)[C@H]2O3)cc1 ZINC000584905365 KK Annotated Anodyne Cc1ccc(-c2[nH]c3ncccc3c2CCC(=O)N2CCOC[C@H]2c2nc3ccccc3[nH]2)c(-c2ccccc2)c1 ZINC000584905414 KK Annotated Anodyne O=C(O)CCC/C=C/c1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@H](S(=O)(=O)Oc4ccc(Br)cc4)[C@H]2O3)cc1 ZINC000584905420 KK Annotated Anodyne O=C(O)CCC/C=C\c1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@H](S(=O)(=O)Oc4ccc(Br)cc4)[C@H]2O3)cc1 ZINC000584905421 KK Annotated Anodyne CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(CCc4ccccc4)c3)CC1=O)C2=O ZINC000584905422 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000584905463 KK Annotated Anodyne O=C(O)/C=C/c1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@@H](S(=O)(=O)Oc4cccc(Cl)c4)[C@H]2O3)cc1 ZINC000584905481 KK Annotated Anodyne O=C(O)/C=C\c1ccc(C2=C(c3ccc(O)cc3)[C@@H]3C[C@@H](S(=O)(=O)Oc4cccc(Cl)c4)[C@H]2O3)cc1 ZINC000584905482 KK Annotated Anodyne COc1ccc2nc3ccc4ccn(CCNCCCCCCNCCn5ccc6ccc7nc8ccc(OC)cc8c7c6c5)cc4c3c2c1 ZINC000584905586 KK Annotated Bother CCN(c1ccc2ccccc2c1)S(=O)(=O)[C@@H]1C[C@@H]2O[C@H]1C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000584905641 KK Annotated Anodyne CNc1cc(CN(CC2CCNCC2)S(=O)(=O)c2ccc(S(=O)(=O)N(Cc3ccc(Cl)cc3)C3CCCC3)cc2)ccc1C(=O)O ZINC000584905648 KK Annotated Anodyne 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=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000584905650 KK Annotated Bother CCCCCCC[C@H]1c2cc3[nH]c(cc3C)cc3nc(cc4[nH]c(cc(n2)[C@]1(C)CC(=O)N(C)C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000058502015 KK Annotated Anodyne CCOc1cccc([C@@H]2COc3c(-c4cccc(OC(F)(F)F)c4)cccc3N2C[C@@H](O)C(F)(F)F)c1 ZINC000058502135 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OC[C@H]1c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000058502159 KK Annotated Mild CN(C)c1ccc(C[C@H](/C(=N/OC(=O)Nc2cccc(Cl)c2)C2CCCCC2)C2CCCCC2)cc1 ZINC000058502180 KK Annotated Mild CC1(C)CCN(C2(C(N)=O)CCN(C(=O)c3cc(-c4ccc(Cl)cc4Cl)c(-c4ccc(Cl)cc4)n3CCCNS(C)(=O)=O)CC2)CC1 ZINC000058503302 KK Annotated Anodyne CC[C@H]1[C@H](C)N(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C[C@@H]1C ZINC000058506127 KK Annotated Anodyne O=C(N/N=C/c1ccco1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058506217 KK Annotated Reactive CC(C)C[C@H]1[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccc(Br)cc32)N1C(=O)NCc1ccccc1 ZINC000058506337 KK Annotated Anodyne CC(C)CCCN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000058506527 KK Annotated Anodyne C[C@H](CCN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000058506596 KK Annotated Anodyne CC(=S)NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058506703 KK Annotated Reactive Cc1nnc(-c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)o1 ZINC000058506800 KK Annotated Anodyne CC[C@@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1CC1CCCC1 ZINC000058509232 KK Annotated Mild CC[C@@H]1CN([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)NCCO ZINC000058509401 KK Annotated Mild CCCCOC(=O)N1c2ccc(C(F)(F)F)cc2N([C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1CC ZINC000058509466 KK Annotated Mild OC[C@@H](CN1CCN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2CCNC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000058511599 KK Annotated Anodyne CCC/C(=N\OCC)C1=C(O)C[C@@H](c2ccc([C@H]3CC(=O)C(/C(CCC)=N/OCC)=C(O)C3)cc2)CC1=O ZINC000058512281 KK Annotated Mild O=C(NN1C(=O)CS[C@H]1c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058512618 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)[P@@](=O)(O)C[P@@](=O)(O)O[P@]1(=O)O ZINC000058513489 KK Annotated Anodyne O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058519405 KK Annotated Reactive CCCCCCCCCCCCCCCC[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 ZINC000058519611 KK Annotated Mild CCC/C(=N\OCC)C1=C(O)C[C@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OCC)=C(O)C3)c2)CC1=O ZINC000058519815 KK Annotated Mild CCCCCC[C@H](C)C/C(C)=C\[C@@H](C)/C=C(C)/C=C/[C@@H](O)C(C)(C)c1cc(O)c([C@@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)c(=O)o1 ZINC000058522951 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@@H](c2cccc(Cl)c2)N(c2ccc(OC)cc2)[C@H]1c1cccc(Cl)c1 ZINC000058522962 KK Annotated Anodyne CC[C@@H]1CCCN(CCc2c([C@@]3(COC(C)=O)CC[C@@H](COC(C)=O)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000058522969 KK Annotated Anodyne CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CCC(C)(C)O)C[C@@]2(CC=C(C)C)C1=O ZINC000058522978 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C[C@](C)([C@@]1(C)CC(=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1/C=C/c1ccoc1)[C@@H]2/C=C/c1ccoc1 ZINC000058523741 KK Annotated Anodyne COc1c(NC(=O)C(=O)c2ccc(Nc3ccncc3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000058523763 KK Annotated Anodyne CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CCC(C)(C)NC(C)=O)C[C@@]2(CC=C(C)C)C1=O ZINC000058528048 KK Annotated Anodyne C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC1 ZINC000058528712 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Cl)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(Cl)cc1)OCc1ccccc1 ZINC000058529432 KK Annotated Anodyne FC(F)(F)c1nnc(S)n1[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000058532856 KK Annotated Anodyne CN1C(=O)[C@@]23C[C@@H]4C(C)(C)[C@@]5(C[C@]41CN2CC[C@@]3(C)OCc1ccccc1)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2 ZINC000058532952 KK Annotated Anodyne O=C(c1ccc2c(c1)CCCC2)[C@H]1O[C@@H](c2ccc(Br)cc2)[C@H](C(=O)c2ccc3c(c2)CCCC3)O[C@@H]1c1ccc(Br)cc1 ZINC000058534167 KK Annotated Anodyne Cc1cc(SC2=C(O)O[C@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000058534322 KK Annotated Mild CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCCCO)C(C)C)nnc12 ZINC000058534560 KK Annotated Anodyne c1ccc(CCN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058534594 KK Annotated Anodyne Cc1ccc(CNC(=O)[C@@H]2CN([C@H]3c4ccc(Cl)cc4CCc4cc(Br)cnc43)CCN2C(=O)NC2CCCCC2)cn1 ZINC000058534800 KK Annotated Anodyne C=CCO/N=C(\CCC)C1=C(O)C[C@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OCC=C)=C(O)C3)c2)CC1=O ZINC000058534828 KK Annotated Mild Cc1cc(SC2=C(O)O[C@](C)(CCc3ccc(O)cc3)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000058535483 KK Annotated Mild COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(OCc3ccccc3)cc2)N(c2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000058536308 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(Br)cc2)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000058536328 KK Annotated Anodyne CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(C)c6CC)c(C)c5CC)c(C)c4CC)[C@H](C)[C@@]13CC ZINC000058537885 KK Annotated Anodyne C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c(O)c2c1oc1c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 ZINC000058538010 KK Annotated Mild CCOC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2ccccc2)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000058538023 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC23CC4CC(CC(C4)C2)C3)C1=N ZINC000058538111 KK Annotated Anodyne O=C(O)c1c(-c2ccc3c(c2)OC=CO3)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058538142 KK Annotated Anodyne C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C)[C@H]1Cc2c(O)ccc(O)c2-c2oc3ccccc3c(=O)c21 ZINC000058538231 KK Annotated Mild N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCC2CCCCC2)C1=N ZINC000058538245 KK Annotated Anodyne c1ccc(CCN2CCN([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058538249 KK Annotated Anodyne Cc1ccc(CN2CCN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3CCNC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000058538286 KK Annotated Anodyne CC(C)c1cccc2c1NC(=O)[C@@]21N[C@H](c2ccccc2)[C@H](c2ccccc2)[C@]12CN(c1ccccc1)CCC2=O ZINC000058538393 KK Annotated Anodyne C[C@H](Oc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058538400 KK Annotated Anodyne COC(=O)C1=C(Nc2ccccc2)C[C@@H](c2cccc(Cl)c2)N(c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000058538574 KK Annotated Anodyne O=C(CCN1CCC(O)CC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000058538589 KK Annotated Anodyne C[C@H]1CCCCN1CCOc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1NS(=O)(=O)c1ccc(Cl)s1 ZINC000058538653 KK Annotated Anodyne COC(=O)C1=C(Nc2ccc(OC)cc2)C[C@H](c2cccs2)N(c2ccc(OC)cc2)[C@H]1c1cccs1 ZINC000058539438 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@](C)([C@H]4CC[C@@]5(C)[C@@H]6Cc7c(O)ccc(O)c7[C@@]6(C)CC[C@H]45)[C@]3(C)CC[C@@H]12 ZINC000058539523 KK Annotated Anodyne C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@H](c3ccccc3)N(C(=O)CCl)[C@@H](c3ccccc3)C2)cc1 ZINC000058539553 KK Annotated Reactive CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1cnc(N(C)Cc2cccc(C(=O)O)c2)c(Cl)c1 ZINC000058540857 KK Annotated Anodyne CC(C)CN(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(C#N)ncc1Br ZINC000058540908 KK Annotated Reactive N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=N ZINC000058540964 KK Annotated Anodyne CC[C@@H](C)CN1C(=N)N([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=N)NC[C@@H]2Cc2ccccc2)C[C@@H]1Cc1ccccc1 ZINC000058540966 KK Annotated Anodyne C=C[C@@H]1CN2CC[C@@]3(CNc4c3ccc(O)c4[C@H]3CCCN3C)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000058541817 KK Annotated Mild C/C=C/CC(=O)S/C(CCOC)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C/C=C/C ZINC000058541986 KK Annotated Anodyne O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CCCC1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CCCC1 ZINC000058543596 KK Annotated Anodyne CCc1cc(Oc2cccc3c2CC[C@H](c2cccc(OC(F)(F)C(F)F)c2)N3C[C@@H](O)C(F)(F)F)ccc1Cl ZINC000058543633 KK Annotated Mild O[C@H](CN1c2cccc(-c3cccc(Cl)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000058543645 KK Annotated Mild CCOC(=O)S/C(CCOC)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCC ZINC000058547669 KK Annotated Anodyne COCC/C(SC(=O)CCC(C)=O)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)CCC(C)=O ZINC000058547767 KK Annotated Anodyne FC(F)(F)Oc1ccc(Nc2cc(Nc3nccn3-c3cc(N4CCC(N5CCOCC5)CC4)cc(C(F)(F)F)c3)ncn2)cc1 ZINC000058547846 KK Annotated Anodyne COCC/C(SC(=O)c1cccnc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1cccnc1 ZINC000058547984 KK Annotated Anodyne COCC/C(SC(=O)c1ccccc1C)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1ccccc1C ZINC000058548036 KK Annotated Anodyne COCC/C(SC(=O)CC(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)CC(C)C ZINC000058548176 KK Annotated Anodyne COCC/C(SC(=O)COC)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)COC ZINC000058548251 KK Annotated Anodyne COCC/C(SC(=O)[C@@H]1CCCN1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)[C@H]1CCCN1 ZINC000058548254 KK Annotated Anodyne COCC/C(SC(=O)C(C)(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C(C)(C)C ZINC000058548510 KK Annotated Anodyne COCC/C(SC(=O)OC(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OC(C)C ZINC000058548559 KK Annotated Anodyne CCCCOC(=O)S/C(CCOC)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCCCC ZINC000058548561 KK Annotated Anodyne COCC/C(SC(=O)O[C@H](C)Cl)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)O[C@H](C)Cl ZINC000058548625 KK Annotated Reactive COCC/C(SC(=O)c1ccccc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)c1ccccc1 ZINC000058548643 KK Annotated Anodyne COCC/C(SC(=O)N1CCCC1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)N1CCCC1 ZINC000058548695 KK Annotated Anodyne CN1CCN(C2CCN(c3cc(-n4ccnc4Nc4cc(Nc5ccc(OC(F)(F)F)cc5)ncn4)cc(C(F)(F)F)c3)CC2)CC1 ZINC000058548729 KK Annotated Anodyne CC[C@H]1CN2CC[C@@H]3c4ccc(O)c([C@@H]5CCCN5C)c4N[C@H]3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000058549834 KK Annotated Clean CC[C@@H]1CCCN(CCc2c([C@@]3(CO)CC[C@@H](CO)c4c(CCN5CCC[C@@H](CC)C5)c5ccccc5n43)[nH]c3ccccc23)C1 ZINC000058553391 KK Annotated Anodyne COCC/C(SC(=O)CCC(=O)OC)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)CCC(=O)OC ZINC000058554427 KK Annotated Anodyne Cc1cc(O)c(C(=O)/C=C/c2ccc(Br)cc2)c(-c2ccc(Br)cc2)c1C(=O)/C=C/c1ccc(Br)cc1 ZINC000058554463 KK Annotated Mild COCC/C(SC(=O)C1CCC1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C1CCC1 ZINC000058554574 KK Annotated Anodyne CC[C@H](C)[C@H](/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@H](C(=O)O)[C@H](C)CC)c4c3O)c(O)c12)C(=O)O ZINC000058554612 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000058554624 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2C(C)=C(O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc5ccccc5c4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000058554704 KK Annotated Mild COCC/C(SC(=O)Cc1ccco1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)Cc1ccco1 ZINC000058554705 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)C1CCCCCC1 ZINC000058554727 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000058555065 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@](=O)Cc4nncn4CCC)cc2)CCCN3CC(C)C)cc1 ZINC000058555137 KK Annotated Anodyne CC1=C2NC[C@@H]3[C@@H]4CC[C@H](C(=O)N(c5ccc(Cl)cc5)C5CCCC5)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O ZINC000058555624 KK Annotated Anodyne C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2Cl)N(C(=O)Cn2cnc3ccccc32)[C@H]1c1ccccc1Cl ZINC000058556946 KK Annotated Anodyne CCC(C#N)(CC)c1ccc(CC[C@]2(C3CCCC3)CC(=O)[C@H](Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1F ZINC000058556951 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O[C@H](C)CCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=[N+]56)N4)[C@@H](C)NC(=N1)N32 ZINC000058557083 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)O)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000058558810 KK Annotated Anodyne Cc1cc(C[n+]2cnn(C[C@](O)(c3ccc(F)cc3F)[C@@H](C)c3nc(-c4ccc(C#N)cc4)cs3)c2)cc(C)c1OC(=O)[C@@H]1CCCN1 ZINC000058559072 KK Annotated Mild CC(C)N1N=C2/C(=C/c3cccc(C(F)(F)F)c3)CS(=O)(=O)C[C@@H]2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000058562625 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058562995 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000058563012 KK Annotated Anodyne CS(=O)(=O)/N=C(\O)c1c(-c2ccccc2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000058563641 KK Annotated Mild C[C@@H](Nc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058563728 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)O)c2)c(C(F)(F)F)n1 ZINC000058563889 KK Annotated Anodyne O=C(CCN1CCCCC1)O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000058566590 KK Annotated Anodyne O[C@H](CN1c2cccc(-c3cccc(F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000058566820 KK Annotated Mild CN(Cc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000058568344 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)O)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000058568350 KK Annotated Anodyne C=C(CNCCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](NCc6ccc7c(c6)OCO7)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058568628 KK Annotated Mild C=C1[C@@H](OC(=O)CCCc2ccccc2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000058569390 KK Annotated Mild CN(C)/C(=N\CCCCCCN/C(=N\C(=N)NCc1ccc(Cl)c(Cl)c1)N(C)C)NC(=N)NCc1ccc(Cl)c(Cl)c1 ZINC000058570538 KK Annotated Mild Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)n2nc(C(C)(C)COCc3ccccc3)nc2c1C#N ZINC000058574725 KK Annotated Mild C=C(CNCCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](NCCc6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058574744 KK Annotated Mild CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O[C@H](c5ccc(F)cc5F)[C@H]5CO[C@H](Cn6cncn6)C5)cc4)CC3)cc2)c1=O ZINC000058574904 KK Annotated Clean Cc1ccc([C@@H]2SCC(=O)N2NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 ZINC000058574946 KK Annotated Anodyne CC(C)(C)c1nnc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Br)cc3)c2Cn2cncn2)s1 ZINC000058575341 KK Annotated Anodyne COC1=C(OC)C(=O)C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O ZINC000058575479 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058575706 KK Annotated Anodyne COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058575709 KK Annotated Anodyne C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O ZINC000058575960 KK Annotated Reactive CCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 ZINC000058575961 KK Annotated Reactive CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)Cc2cc(O)c1c(O)c2 ZINC000058575983 KK Annotated Anodyne CCCCCCCCCC[C@H](C)C(=O)C1=C2C3=CN(Cc4ccccc4)C(C)=CC3=CC(=O)[C@]2(C)OC1=O ZINC000058576040 KK Annotated Mild C[C@@H]1N[C@H](CCCCCCCCCCC2=C[C@@H](CCCCCCCCCC[C@@H]3CC[C@@H](O)[C@H](C)N3)[C@@H]3CCCN3C2)CC[C@H]1O ZINC000058576172 KK Annotated Anodyne CC[C@H](C)[C@@H]1NC(=O)CNC(=O)c2csc(n2)[C@H](C(C)C)OC(=O)C(C)(C)[C@H](CCCC(C)(Cl)Cl)OC(=O)c2csc1n2 ZINC000058576185 KK Annotated Anodyne CCCCCCCCCCOCCC12C[C@@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000058576242 KK Annotated Mild Cc1cc(=O)c2c(CBr)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000058576493 KK Annotated Reactive CCc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000058576494 KK Annotated Anodyne CC1(C)Oc2ccc3c(=O)cc(CBr)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058576498 KK Annotated Reactive CCN(CC)/C(=N\CCCCCCN/C(=N\C(=N)NCc1ccc(Cl)cc1Cl)N(CC)CC)NC(=N)NCc1ccc(Cl)cc1Cl ZINC000058576596 KK Annotated Mild Fc1ccc([C@H]2N=C(SCCSC3=N[C@H](c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N3)N[C@@H]2c2ccc(F)cc2)cc1 ZINC000058576754 KK Annotated Anodyne COc1ccc(NC(=O)COC(=O)/C=C/c2cc(OC)c(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 ZINC000058581075 KK Annotated Anodyne CN(CC[C@H](c1ccc2cc(-c3cccc4ccccc34)ccc2c1)n1nnc(-c2cccc3ccccc23)n1)c1cccc2ccccc12 ZINC000058581082 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(OC)c(OCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)c3)o2)cc1OC ZINC000058581096 KK Annotated Anodyne COc1cc(C[C@@H]2NCC3=Cc4c(OC)c(C)c(OC)c(OC)c4[C@H](COC(=O)c4cccc5ccccc45)N3C2=O)c(OC)c(C)c1OC ZINC000058581265 KK Annotated Anodyne C=C1[C@@H](OC(=O)CC2CCCCC2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000058581415 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058581482 KK Annotated Anodyne O=C(CCCc1ncc(C(F)(F)F)cc1-c1ccccc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 ZINC000058581493 KK Annotated Clean COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(Cc3ccc4ccccc4c3[N+](=O)[O-])CC(=O)N1[C@H]2COCc1ccccc1 ZINC000058581515 KK Annotated Bother C=C(CO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCCc6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058581549 KK Annotated Mild O=C(NN1C(=O)CS[C@H]1c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058581573 KK Annotated Clean COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H]3c4ccccc4C[C@@H]([C@H](C#N)N1[C@H]2COC(=O)/C=C/c1cccc(C(F)(F)F)c1)N3C ZINC000058581632 KK Annotated Mild COc1ccc2c(c1)C(=O)C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)=C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)C2=O ZINC000058581977 KK Annotated Mild CC(C)Oc1ccc2c(c1)C(=O)C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)=C(C1=C(O)C(=O)c3c(ccc4c3C=CC(C)(C)O4)C1=O)C2=O ZINC000058581978 KK Annotated Mild CC1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=CC(C)(C)O6)C4=O)C(=O)N(Cc4ccccc4)C2=O)C3=O)O1 ZINC000058581980 KK Annotated Mild CCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCCCl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 ZINC000058582038 KK Annotated Reactive CCCCCCCCO[C@H]1O[C@@H]2COC(=O)CC/C=C/CCC(=O)O[C@H]2[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000058582164 KK Annotated Mild Cc1c2cc(NC(=O)NCCNC(=O)Nc3ccc4c(c3)c(C)[n+](C)c3ccccc43)ccc2c2ccccc2[n+]1C ZINC000058582235 KK Annotated Bother Cc1c2cc(NC(=O)NCCCCCCNC(=O)Nc3ccc4c(c3)c(C)[n+](C)c3ccccc43)ccc2c2ccccc2[n+]1C ZINC000058582238 KK Annotated Bother Cc1c2cc(NC(=O)NCCCCCCCCCNC(=O)Nc3ccc4c(c3)c(C)[n+](C)c3ccccc43)ccc2c2ccccc2[n+]1C ZINC000058582241 KK Annotated Bother CCc1oc2c3c(ccc2c(=O)c1Br)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582294 KK Annotated Anodyne C=C(CNCCc1ccc(O)cc1)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058582347 KK Annotated Mild investigational COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000058582357 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)CCC(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000058582359 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccccc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)CC1 ZINC000058582360 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)CCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000058582362 KK Annotated Anodyne CCc1oc2c3c(ccc2c(=O)c1C#N)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582428 KK Annotated Mild Cc1oc2c3c(ccc2c(=O)c1Br)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582585 KK Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000058582586 KK Annotated Anodyne Cc1oc2c3c(cc(C)c2c(=O)c1Br)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582588 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C\c2ccco2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000058582596 KK Annotated Mild COc1ccc(C[C@H]2C(=O)N3[C@@H](Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H]3COCc3ccccc3)[C@@H](OC)N2C(=O)OC(C)C)cc1OC ZINC000058582630 KK Annotated Anodyne COc1ccc(C[C@H]2C(=O)N3[C@@H](Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H]3COCc3ccccc3)[C@@H](OC)N2C(=O)OC(C)(C)C)cc1OC ZINC000058582632 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@@H]3N[C@@H](Cc4ccccc43)C(=O)N1[C@H]2COC(=O)c1cccc2ccccc12 ZINC000058582633 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@@H](OC)N(C(=O)OC(C)C)[C@@H](Cc3ccccc3)C(=O)N1[C@H]2COCc1ccccc1 ZINC000058582798 KK Annotated Anodyne CC(C)(CCCn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1)C(=O)O ZINC000058582841 KK Annotated Anodyne CS(=O)(=O)CCn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058582844 KK Annotated Anodyne CCc1c(OC)c(C)c(OC)c2c1[C@H](COCc1ccccc1)N1C(=O)[C@]3(C)Cc4cc(OC)c(OC)cc4[C@H]([C@@H]1C2)N3C(=O)OC(C)C ZINC000058582899 KK Annotated Anodyne COCCn1c(-c2ccc(C(C)C)cc2)nc2c(I)c(Br)cc(OC)c21 ZINC000058582911 KK Annotated Anodyne CNc1c(C)oc2c3c(ccc2c1=O)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058582993 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C(=O)N1[C@H]2COCc1ccccc1 ZINC000058583109 KK Annotated Anodyne O=C1c2cccc(N3CCC[C@@H](C(=O)N4CCCC[C@H]4c4cccnc4)C3)c2C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000058583128 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)N(C)[C@H](C)CCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000058583150 KK Annotated Mild CCO[C@H](c1ccc(O)c(OC)c1)[C@H](COC(=O)c1ccc(O)cc1)Oc1ccc(/C=C/COC(=O)c2ccc(O)cc2)cc1OC ZINC000058583173 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)[C@@H](Cc3ccccc3)C(=O)N1[C@H]2COCc1ccccc1 ZINC000058583213 KK Annotated Anodyne C=C(CNCCOC)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058583306 KK Annotated Mild C=C(CNC(C)(C)C)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058583310 KK Annotated Mild C=C(CNC(C)C)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058583312 KK Annotated Mild CS(=O)(=O)NCCCn1c(C(=O)N2CCC(C(N)=O)(N3CCC(F)(F)CC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058583366 KK Annotated Anodyne CCCCCCS[C@H]1[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CCC ZINC000058583392 KK Annotated Anodyne CCCCCCS[C@H]1[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CCCCCC ZINC000058583394 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(OC)c(OCCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)c3)o2)cc1OC ZINC000058583447 KK Annotated Anodyne COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1/C=C/c1ccc(N)cc1 ZINC000058583471 KK Annotated Anodyne Cc1c(Cl)nc(NC(=O)OC(C)(C)C)c(=O)n1[C@H](C(=O)Nc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000058583610 KK Annotated Mild C=CCCCCCC[C@H](OC(=O)N(CCCCC=C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000058583668 KK Annotated Mild C=C(CO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCc6ccc7c(c6)OCO7)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058583867 KK Annotated Mild C=C(CN1CCCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058583884 KK Annotated Mild C=C(CN1CC[C@H](O)C1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058583889 KK Annotated Mild COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1/C=C/c1ccc(N)cc1 ZINC000058583966 KK Annotated Anodyne C=CCCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)[C@H](C)CC=C ZINC000058583994 KK Annotated Anodyne O=C(OCc1ccccc1)c1cc2c([nH]c3ccccc32)c(CCN[C@@H](Cn2ccnc2)C(=O)OCc2ccccc2)n1 ZINC000058584011 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058584062 KK Annotated Anodyne CCCC(=O)Nc1ccc(-c2nc3n(Cc4ccccc4F)cc(C(=O)OC(CC)CC)c(=O)n3c2N2CC[C@@H]3C=CC=C[C@H]3C2)cc1 ZINC000058584354 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2C[C@@H](c3ccc(O)cc3)C(C)=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)c1O ZINC000058586293 KK Annotated Mild CCCCCCc1cc2c(cc1O)OC(=O)[C@@H]([C@H](c1ccccc1)c1c(O)oc3cc(O)c(CCCCCC)cc3c1=O)[C@H]2O ZINC000058587066 KK Annotated Anodyne CCCCN(CCCC)/C(=N/C(=N)Nc1ccc(Cl)cc1)NCCCCCCN/C(=N\C(N)=N\c1ccc(Cl)cc1)N(CCCC)CCCC ZINC000058590364 KK Annotated Mild CCCC[C@@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@H]2[C@H]2COC(C)(C)O2)[C@@H]1/C(C)=C/c1ccccc1 ZINC000058590382 KK Annotated Anodyne CC1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=CC(C)(C)O6)C4=O)C(=O)c4ccccc4C2=O)C3=O)O1 ZINC000058590481 KK Annotated Mild C=C1[C@@H](OC(=O)COc2ccc3ccccc3c2)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000058590500 KK Annotated Mild COc1ccc([C@H]2CC(=O)O[C@@H](C)C[C@@H](C)/C=C(\C)C[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc3c(Br)[nH]c4ccccc34)C(=O)N2)cc1 ZINC000058590582 KK Annotated Anodyne COc1cc([C@H]2Oc3c(OC)cc(/C=C/COC(=O)c4ccc(O)cc4)cc3[C@@H]2COC(=O)c2ccc(O)cc2)ccc1O ZINC000058590589 KK Annotated Anodyne COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058590642 KK Annotated Bother CCCCCCCCOCCC12C[C@@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000058590874 KK Annotated Mild COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(Cc3ccc(OC)c(OC)c3)cc(OC)c21 ZINC000058590993 KK Annotated Anodyne CCCCC[C@H]1C[C@@H]2CCC[C@@H](C[C@@H](OC)C[C@@H]3C[C@@H](OC(=O)/C=C\CCc4coc(/C=C\CNC(=O)OC)n4)C[C@H](CC(=O)O1)O3)O2 ZINC000058591003 KK Annotated Anodyne C=C(CNCCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](NCCc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058591183 KK Annotated Mild C=C(CNCCc1ccc(O)cc1)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](NCCO)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058591184 KK Annotated Mild CO/N=C1\C[C@H]2Oc3c(Br)c(OCC4CC4)cc4c3[C@@]2(C[C@@H](CO)NC4)[C@H](SCc2ccc(OC)cc2)C1 ZINC000058591221 KK Annotated Mild CC(C)C[C@H]1C(=O)N(COC(=O)[C@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058591230 KK Annotated Anodyne CCc1cc(=O)c2c(CC)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000058591611 KK Annotated Anodyne COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000058591631 KK Annotated Bother C=C(CNC1CCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058591723 KK Annotated Mild CCN1CCN(CCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000058591765 KK Annotated Anodyne CCc1oc2c3c(ccc2c(=O)c1NC)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000058591860 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(F)cc3)o2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058591861 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058591863 KK Annotated Anodyne C[C@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O ZINC000058591864 KK Annotated Reactive C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 ZINC000058592013 KK Annotated Reactive CCC[C@@H]1[C@@H](Sc2ccc(OC)cc2)[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000058592059 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058592097 KK Annotated Anodyne C[N+](C)(C)[C@H]1CCC[C@@H]1O[P@@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000058592101 KK Annotated Bother CCOc1ccc(COc2c(OC)cc(/C=C/C(=O)OCC(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 ZINC000058592289 KK Annotated Anodyne CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 ZINC000058592377 KK Annotated Anodyne CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 ZINC000058592445 KK Annotated Reactive COc1ccc(CS[C@@H]2C/C(=N/OCc3ccccc3)C[C@H]3Oc4c(Br)c(OCC5CC5)cc5c4[C@]32C[C@@H](CO)NC5)cc1 ZINC000058592527 KK Annotated Mild COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058592540 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@H]3c4ccccc4C[C@@H](C(=O)N1[C@H]2COCc1ccccc1)N3C(=O)OC(C)C ZINC000058592603 KK Annotated Anodyne CCCCCCCCCCCCOCCC12C[C@@H]3C[C@H](C1)CC(CCO[P@@](=O)(O)OCC[N+](C)(C)C)(C3)C2 ZINC000058592676 KK Annotated Mild COc1ccc2[nH]c(C(=O)O)c(CCNC(=O)CO/N=C3/C=C[C@@]4(C)C(=C3)CC[C@H]3[C@@H]5CC[C@](C)(O)[C@]5(C)CC[C@H]34)c2c1 ZINC000058592755 KK Annotated Anodyne O=C(OCc1ccccc1)c1cc2c([nH]c3ccccc32)c(CCN2CCC[C@H]2C(=O)OCc2ccccc2)n1 ZINC000058592784 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c(/C=C/c3ccc([N+](=O)[O-])cc3)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000058592801 KK Annotated Bother O=C1[C@]2(CC[C@@]13[C@@H](c1ccccc1)C(c1ccccc1)=NN3c1ccccc1)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 ZINC000058593506 KK Annotated Anodyne O=C(C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)N[C@@H]1CCCc2cc(C3(CN4CCCCC4)CC3)ccc21 ZINC000058594241 KK Annotated Anodyne C=C(CN1CC[C@@H](O)C1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058594245 KK Annotated Mild C=C(CN1CCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058598991 KK Annotated Mild O=C1CC(O)=NN1c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000058599310 KK Annotated Anodyne COc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 ZINC000058599336 KK Annotated Anodyne C=CCCCC[C@@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC ZINC000058599941 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1ccc(F)cc1 ZINC000058602198 KK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)[C@@H]2c1ccccn1 ZINC000058602592 KK Annotated Anodyne CCC/C(=N\OCc1ccccc1)C1=C(O)C[C@@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OCc4ccccc4)=C(O)C3)c2)CC1=O ZINC000058602618 KK Annotated Mild C=C(CNCC1CC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058602931 KK Annotated Mild C=C(CNC1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000058602933 KK Annotated Mild O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)[C@@H]2c1ccccn1 ZINC000058602987 KK Annotated Anodyne CC1=NN(c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C(=O)C1 ZINC000058603199 KK Annotated Anodyne Cc1cc(C)n(-c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)n1 ZINC000058603752 KK Annotated Anodyne CC[C@H](C)C(=O)C1=C(O)OC2=C([C@H](CC(=O)O)c3ccccc3)C(C)(C)[C@H](CCC(C)(C)OC(=O)C(F)(F)F)C[C@@]2(CC=C(C)C)C1=O ZINC000058604304 KK Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000058608586 KK Annotated Mild CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1Cc1cccc2ccccc12 ZINC000058608725 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccc(F)cc1 ZINC000058608966 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(Br)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(Br)cc1)OCc1ccccc1 ZINC000058609053 KK Annotated Anodyne N=C1NC[C@H](Cc2ccccc2)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCC2)C1=N ZINC000058609094 KK Annotated Anodyne O[C@H]([C@H](COCc1ccc(F)cc1)OCc1ccccc1)[C@@H](O)[C@@H](COCc1ccc(F)cc1)OCc1ccccc1 ZINC000058609129 KK Annotated Anodyne O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3nc(Cc4ccccc4)[nH]c3Cl)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000058609175 KK Annotated Anodyne O=C(Nc1cccc(Cl)c1Cl)N[C@H]1CCN(CCCCCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000058609283 KK Annotated Anodyne CCOC(=O)C1=Cc2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(CC)c6CC)c(CC)c5CC)c(CC)c4CC)[C@H](CC)[C@@]13CC ZINC000058609449 KK Annotated Anodyne COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000058609464 KK Annotated Anodyne C[C@@H]1C/C=C/CCCCCCCCOC(=O)N(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)C1 ZINC000058609527 KK Annotated Anodyne C=C(COC)[C@@H]1CC[C@]2(COC(=O)n3ccnn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)n6cncn6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000058614406 KK Annotated Mild Cc1cc2c(cc1Cc1ccc(C(=O)NC[C@@H]3CCC[C@@H](Nc4nccc(NC[C@H]5CCCO5)n4)C3)o1)C(C)(C)CCC2(C)C ZINC000058615679 KK Annotated Anodyne CCCCCCn1c(=O)c2c3nc(cc4[nH]c(cc5nc(cc6[nH]c2c(c6C)c1=O)[C@H](CC)[C@H]5C)c([C@H](C)OC)c4C)[C@@H](C)[C@@H]3CCC(=O)OCCC ZINC000058617523 KK Annotated Anodyne CCCC(=O)N[C@@H](c1ccsc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2C(C)(C)[C@]1(C)[C@@]13C[C@@H](C)c4ccccc4[C@@]21O3 ZINC000058622084 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(Cl)cc2)C[C@H](c2cccs2)N(c2ccc(Cl)cc2)[C@H]1c1cccs1 ZINC000058623382 KK Annotated Anodyne N=C(N/N=C/c1c2ccccc2c(/C=N/NC(=N)N[C@H]2CCc3ccccc32)c2ccccc12)N[C@H]1CCc2ccccc21 ZINC000058623468 KK Annotated Mild O=C(NCc1cccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000058623701 KK Annotated Anodyne COCC/C(SC(=O)C1CCCC1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C1CCCC1 ZINC000058626676 KK Annotated Anodyne Cc1c(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5[nH]c(cc1[nH]2)c(C)c5S(=O)(=O)O)c(C)c4S(=O)(=O)O)c(C)c3CCC(=O)O ZINC000058627020 KK Annotated Bother CCc1c(C)c2cc3[nH]c(cc4[nH]c(cc5c(CC)c(C)c(cc1[nH]2)n5C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000058627073 KK Annotated Bother CCOC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)S1(=O)=O ZINC000058631673 KK Annotated Anodyne CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)NC(C)(C)[C@@H](Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000058631712 KK Annotated Anodyne CCC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)[C@H](C)[C@H]4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000058632644 KK Annotated Anodyne Cn1cncc1CN(CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccccc1-c1cccc(CCC(=O)O)c1)c1ccc(C#N)cc1 ZINC000058632712 KK Annotated Mild in-vitro COc1ccc2[nH]c3ccc4cc[n+](CCNCCCCCCNCC[n+]5ccc6ccc7[nH]c8ccc(OC)cc8c7c6c5)cc4c3c2c1 ZINC000058633493 KK Annotated Bother CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000058638725 KK Annotated Anodyne in-vitro CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CCC6=C(C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N4)N65)[C@H](C)N=C(N1)N32 ZINC000058638728 KK Annotated Mild O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Nc3c(F)cc(F)cc3Cl)c(Cl)cc21 ZINC000058638794 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000058638981 KK Annotated Anodyne CC(C)CCCCCCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000058639018 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000058639925 KK Annotated Anodyne in-vitro CC1=C(C)[C@@H](C(=O)O)C(=O)[C@H](C)[C@@H]1OC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(CNCC(=O)OCc3ccccc3)c(O)c(C)c2O)c(C)c1O ZINC000058648612 KK Annotated Clean CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](O)C(C)(C)COP(=O)=O ZINC000058649719 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000058649852 KK Annotated Mild in-vitro Cc1ccc(N2N=C(c3ccccc3)[C@H](c3ccccc3)[C@]23CC[C@]2(C3=O)[C@@H](c3ccccc3)C(c3ccccc3)=NN2c2ccc(C)cc2)cc1 ZINC000058650213 KK Annotated Anodyne CC(C)[C@@]12C=C[C@@](C)(CC1)[C@@H]1C(=O)N(N3CCCCS/C3=N\c3ccc(I)cc3)C(=O)[C@@H]12 ZINC000058650630 KK Annotated Mild Cc1cc(Br)cc(CNC(=O)c2ccccc2Cl)c1OC(=O)c1ccc(Cl)cc1Cl ZINC000058650835 KK Annotated Anodyne C=C(CN1CCCC1)c1ccc2c(c1)CCC[C@H]2NC(=O)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1ccc(F)cc1 ZINC000058650858 KK Annotated Mild O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CC1)N1CCc2ccc(Cl)c(Cl)c2[C@H]1C1CC1 ZINC000058651325 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=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 ZINC000058655322 KK Annotated Mild O=C(CCC(=O)Nc1ccccc1Cl)/N=N/C=c1ccc(=C/N=N/C(=O)CCC(=O)Nc2ccccc2Cl)cc1 ZINC000058655383 KK Annotated Clean COc1ccc(NS(=O)(=O)C(F)(F)F)cc1C[C@H]1[C@@H](CO)c2cc(OCc3nc4cc(F)c(F)cc4s3)ccc2OC1(C)C ZINC000058655398 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 ZINC000058655399 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CCCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000058655409 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000058655429 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@@H]1C(=O)N3[C@@H](Cc4c(OC)c(C)c(OC)c(OC)c4[C@@H]3COC(=O)c3cccc4ccccc34)[C@H]2N1C ZINC000058655447 KK Annotated Anodyne Cn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 ZINC000058655527 KK Annotated Anodyne N=C(/N=C(/NCCCCCC/N=C(/NC(=N)NCc1ccc(Cl)c(Cl)c1)N1CCCCC1)N1CCCCC1)NCc1ccc(Cl)c(Cl)c1 ZINC000058655537 KK Annotated Mild Cc1noc(C)c1CNC(=O)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCC1 ZINC000058655615 KK Annotated Anodyne O=C(Nc1ccccc1)O/N=C(\C1CCCCC1)[C@H](CN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000058660399 KK Annotated Mild C=Nc1ncc(F)c(-c2cccnc2Oc2ccc(NC(=O)c3ccccc3Nc3ccccc3)cc2)n1 ZINC000058660785 KK Annotated Mild Cc1ccc2c(c1)C(=O)[C@]1(O[C@@H](c3ccc(Cl)c(Cl)c3)[C@@H](C(=O)Nc3ccc(-c4csnn4)cc3)[C@H]1C(=O)O)C2=O ZINC000058660884 KK Annotated Clean in-vitro O=C(Nc1ccc(Cl)cc1)[C@H]1CN(Cc2cccs2)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F ZINC000058660970 KK Annotated Anodyne O=C(NCc1cccnc1)[C@@H]1CN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)NC1CCCCCC1 ZINC000058662788 KK Annotated Anodyne CCCc1nc(-c2cccnc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C[C@@H](C(=O)NCCN(C)C)C(C)C)nnc12 ZINC000058666040 KK Annotated Anodyne CCCC[C@H]1C(=O)N([C@@H](C2SCCCS2)[C@@H]2OC(C)(C)O[C@@H]2[C@H]2COC(C)(C)O2)[C@H]1/C(C)=C/c1ccccc1 ZINC000058668422 KK Annotated Anodyne O=C1N=C(O)[C@H]2[C@H]3C=C([C@](O)(c4ccccc4)c4ccccn4)[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]12 ZINC000058669406 KK Annotated Anodyne N#Cc1cccc(-c2ccc3c(c2)CCN(CC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H]3C2CCN([C@H]3CCSC3)CC2)c1 ZINC000058669432 KK Annotated Anodyne C[C@H](O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)cc(-c5cc(F)c(F)c(F)c5)c4[nH]3)[C@H](C)C2)c(C(F)(F)F)c1 ZINC000058669556 KK Annotated Mild CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)OC)CCc4c3C)[C@](O)(CC)[C@]1(C)O ZINC000058677925 KK Annotated Bother CCc1c(C)c2cc3ccc([nH]3)c(-c3ccccc3)c3ccc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC)c5CC)c(CC)c4C)[nH]3 ZINC000058678177 KK Annotated Bother C[C@@H]1CN(c2ncc([C@@H](O)c3ccccc3)cc2C(F)(F)F)CCN1c1nc2cc(C(F)(F)F)cc(-c3cc(F)c(F)c(F)c3)c2[nH]1 ZINC000058678291 KK Annotated Mild C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OC[C@H](C)N1CCOCC1 ZINC000058678319 KK Annotated Mild CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000058685377 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058685409 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2C)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000058685468 KK Annotated Anodyne COc1ccc(Br)cc1CCc1c(F)cccc1C(=O)/N=C(\N)NCCCCN1CC[C@@H]2CCCC[C@H]2C1 ZINC000058685508 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@@H]2CC2CCCCC2)cc1 ZINC000058685578 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000058685613 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@@H](CC3CCCCC3)CN3CCC[C@H]3CN3C(N)=NC[C@@H]3C)C[C@H]2CC2CCCCC2)cc1 ZINC000058685626 KK Annotated Anodyne C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](C=C(c4cccc5cc(S(=O)(=O)O)ccc45)c4cccc5cc(S(=O)(=O)O)ccc45)CC[C@]3(C)[C@H]1CC2 ZINC000058689312 KK Annotated Anodyne C#CCC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCCCC1 ZINC000586877822 KK Annotated Mild CCCC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CCC1 ZINC000586877835 KK Annotated Anodyne CCCC1(c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCC1 ZINC000586877877 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3cc21 ZINC000586877898 KK Annotated Anodyne CCCC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCC1 ZINC000586877959 KK Annotated Clean C#CCC1(c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCCCC1 ZINC000586877988 KK Annotated Mild Cc1cccc(-c2ccccc2)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586878020 KK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000586878056 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(C)cccc3-c3ccccc3)[nH]c21 ZINC000586878120 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c21 ZINC000586878169 KK Annotated Clean CCc1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1CC ZINC000586878290 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc21 ZINC000586878346 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccccc3C(=O)O)[nH]c21 ZINC000586878525 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccccc3C(=O)O)[nH]c21 ZINC000586878530 KK Annotated Clean Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586878549 KK Annotated Reactive O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cccc(OC(F)(F)F)c5[nH]4)c3)cc2)c1 ZINC000586878578 KK Annotated Anodyne Cc1cc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586878613 KK Annotated Bother Cc1ccc2c(ccc3nc(-c4cc(C(=O)O)cc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)c4)[nH]c32)n1 ZINC000586878623 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000586878639 KK Annotated Bother Cc1c(Cl)ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586878648 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5[nH]c(Cl)nc(C(F)(F)F)c-5n4)c3)cc2)c1 ZINC000586878655 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(Br)nc5[nH]4)c3)cc2)c1 ZINC000586878660 KK Annotated Anodyne CCc1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1CC ZINC000586878661 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586878664 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(F)c(F)c(F)c5[nH]4)c3)cc2)c1 ZINC000586878676 KK Annotated Anodyne CCc1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1CC ZINC000586878679 KK Annotated Clean CC(C)(C)c1ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c2n1 ZINC000586878680 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc6c(c5[nH]4)CCCC6)c3)cc2)c1 ZINC000586878684 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C(=O)O)cc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)c4)[nH]c3cc21 ZINC000586878693 KK Annotated Clean CCc1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1CC ZINC000586878760 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Br)cc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586878764 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C(=O)O)cc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)c4)[nH]c3cc21 ZINC000586878776 KK Annotated Anodyne O=C(O)c1ccccc1/C=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586878788 KK Annotated Bother O=C(O)c1ccccc1/C=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586878800 KK Annotated Bother O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5nc(Br)c[nH]c-5n4)c3)cc2)c1 ZINC000586878813 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000586878851 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(F)cc(C(F)(F)F)c5[nH]4)c3)cc2)c1 ZINC000586878867 KK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000586878872 KK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c5c(ccc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2)CC1 ZINC000586878874 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)c3)cc2)c1 ZINC000586878879 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)c3)cc2)c1 ZINC000586878911 KK Annotated Anodyne C#Cc1cccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000586878914 KK Annotated Mild C#Cc1cccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000586879031 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2cc1Br ZINC000586879088 KK Annotated Mild CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)CC1 ZINC000586879105 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc21 ZINC000586879159 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(C(C)=O)cc5)c4)[nH]c3cc21 ZINC000586879224 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc6c(c5[nH]4)C(=O)c4ccccc4C6=O)c3)cc2)c1 ZINC000586879296 KK Annotated Clean Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879331 KK Annotated Reactive O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Cl)cc(F)c5[nH]4)c3)cc2)c1 ZINC000586879379 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(C)cccc4-c4ccccc4)[nH]c3cc21 ZINC000586879392 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc12 ZINC000586879408 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)c4cc(C)ccc4C)[nH]c3cc21 ZINC000586879410 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Cl)nc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586879433 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(Br)c(F)c5[nH]4)c3)cc2)c1 ZINC000586879435 KK Annotated Anodyne Cc1cccc(-c2ccccc2)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586879444 KK Annotated Bother CC1=C(c2ccc3nc(-c4cc(C(=O)O)cc(-c5ccc(-c6cc(C(=O)O)cc(C(=O)O)c6)cc5)c4)[nH]c3c2)NNC(=O)C1 ZINC000586879445 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5nc(Cl)c[nH]c-5n4)c3)cc2)c1 ZINC000586879448 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc12 ZINC000586879449 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cnc6ccccc6c5[nH]4)c3)cc2)c1 ZINC000586879481 KK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586879482 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(F)cnc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586879558 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cncc(Br)c5[nH]4)c3)cc2)c1 ZINC000586879581 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cccc(Br)c5[nH]4)c3)cc2)c1 ZINC000586879615 KK Annotated Anodyne CC(=O)c1ccc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cc1 ZINC000586879722 KK Annotated Bother Cc1cc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 ZINC000586879765 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586879886 KK Annotated Bother COC(=O)c1cc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586880045 KK Annotated Anodyne C#CCC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CCCCC1 ZINC000586880065 KK Annotated Mild Cc1ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c2c1C ZINC000586880094 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(F)c(F)c5[nH]4)c3)cc2)c1 ZINC000586880115 KK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc2c1 ZINC000586880126 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc6ncccc6c5[nH]4)c3)cc2)c1 ZINC000586880188 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(Br)c(O)c5[nH]4)c3)cc2)c1 ZINC000586880250 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(Cl)cnc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586880258 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc2c1 ZINC000586880263 KK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586880320 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3cc21 ZINC000586880377 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3cc21 ZINC000586880378 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccccc4C(=O)O)[nH]c3cc21 ZINC000586880413 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccccc4C(=O)O)[nH]c3cc21 ZINC000586880421 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cnc(C(F)(F)F)[nH]c-5n4)c3)cc2)c1 ZINC000586880447 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(C(=O)O)cc5)c(C)c4)nc3cc21 ZINC000586880479 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(Br)ccc(Br)c5[nH]4)c3)cc2)c1 ZINC000586880523 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)c3)cc2)c1 ZINC000586880524 KK Annotated Bother C=CCc1cccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586880528 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc1-2 ZINC000586880538 KK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc2c1 ZINC000586880543 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(C5CCC5)cc4)nc3cc21 ZINC000586880551 KK Annotated Clean CC(=O)c1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586880594 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(C4CCC4)cc3)nc21 ZINC000586880655 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5ccccc5C(=O)c5cc(C)ccc5C)[nH]c4c3)o2)cc1 ZINC000586880664 KK Annotated Anodyne CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2)CC1 ZINC000586880712 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(F)c(Br)c5[nH]4)c3)cc2)c1 ZINC000586880907 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccnc(Br)c5[nH]4)c3)cc2)c1 ZINC000586880948 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(F)c(F)c(F)c(F)c5[nH]4)c3)cc2)c1 ZINC000586880956 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cccc([N+](=O)[O-])c5[nH]4)c3)cc2)c1 ZINC000586880964 KK Annotated Bother CC(=O)c1ccc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cc1 ZINC000586881043 KK Annotated Anodyne Cc1c(F)ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586881046 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)cc5[nH]4)c3)cc2)c1 ZINC000586881064 KK Annotated Bother O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c3)cc2)c1 ZINC000586881079 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c21 ZINC000586881082 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c3)cc2)c1 ZINC000586881093 KK Annotated Reactive O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(F)cc(Br)c5[nH]4)c3)cc2)c1 ZINC000586881120 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)c3)cc2)c1 ZINC000586881122 KK Annotated Bother CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)CC1 ZINC000586881132 KK Annotated Bother CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc2)CC1 ZINC000586881134 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(I)cnc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586881189 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cccc(C(F)(F)F)c5[nH]4)c3)cc2)c1 ZINC000586881194 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(F)cc(C(=O)O)c5[nH]4)c3)cc2)c1 ZINC000586881203 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3cc21 ZINC000586881234 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3cc21 ZINC000586881237 KK Annotated Anodyne C#Cc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000586881262 KK Annotated Mild CCCC[C@@H]1CC[C@@H](c2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)CC1 ZINC000586881278 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3C(C(C)=O)C(C)=O)[nH]c21 ZINC000586881385 KK Annotated Clean CCC(C)(C)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000586881407 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(C(C)(C)CC)cc4)nc3cc21 ZINC000586881484 KK Annotated Clean Cc1cc(Cl)cc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586881593 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)c3)cc2)c1 ZINC000586881624 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Cl)cc(Br)c5[nH]4)c3)cc2)c1 ZINC000586881652 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccnc(Cl)c5[nH]4)c3)cc2)c1 ZINC000586881664 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c2c1C ZINC000586881674 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4/C=C\C(=O)O)[nH]c3cc21 ZINC000586881683 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4/C=C/C(=O)O)[nH]c3cc21 ZINC000586881691 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cccc(I)c5[nH]4)c3)cc2)c1 ZINC000586881698 KK Annotated Anodyne C=Cc1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586881714 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Br)c(F)c(F)c5[nH]4)c3)cc2)c1 ZINC000586881717 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(C(C)=O)cc5)c4)[nH]c3cc21 ZINC000586881720 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(F)cc(F)c5[nH]4)c3)cc2)c1 ZINC000586881734 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cnc(Cl)[nH]c-5n4)c3)cc2)c1 ZINC000586881748 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5[nH]c(O)nc(NCc6ccccc6)c-5n4)c3)cc2)c1 ZINC000586881756 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c12 ZINC000586881818 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(F)cnc(Br)c5[nH]4)c3)cc2)c1 ZINC000586881876 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5c(S)nc(S)nc5[nH]4)c3)cc2)c1 ZINC000586881890 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c21 ZINC000586881907 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)c3)cc2)c1 ZINC000586881910 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc2c1 ZINC000586881911 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)[nH]c2c1OC ZINC000586881917 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3/C=C/C(=O)O)[nH]c21 ZINC000586881923 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3/C=C\C(=O)O)[nH]c21 ZINC000586881925 KK Annotated Clean O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Br)cc(F)c5[nH]4)c3)cc2)c1 ZINC000586881932 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(C(=O)O)cc(-c4ccc(-c5cc(C(=O)O)cc(C(=O)O)c5)cc4)c3)nc2c1 ZINC000586881935 KK Annotated Anodyne O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)c3)cc2)c1 ZINC000586881941 KK Annotated Anodyne C=Cc1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586882050 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(C(C)=O)C(C)=O)[nH]c3cc21 ZINC000586882102 KK Annotated Clean C=Cc1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586882132 KK Annotated Clean CCC(C)(C)c1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000586882266 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(C(C)(C)CC)cc3)nc21 ZINC000586882305 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(C(C)=O)C(C)=O)[nH]c3cc21 ZINC000586882327 KK Annotated Anodyne Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000586882462 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)c4cc(C)ccc4C)[nH]c3cc21 ZINC000586882479 KK Annotated Anodyne CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586882482 KK Annotated Bother Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000586882561 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586882768 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Br)c(C(F)(F)F)c6[nH]5)c34)c12 ZINC000586882810 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)c(Br)cc6[nH]5)c34)c12 ZINC000586882826 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)cc(Br)c6[nH]5)c34)c12 ZINC000586882828 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)c(F)cc6[nH]5)c34)c12 ZINC000586882835 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(OC(F)(F)F)c(Br)cc6[nH]5)c34)c12 ZINC000586882895 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(F)cc(Br)c6[nH]5)c34)c12 ZINC000586882956 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586882958 KK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586882965 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586882968 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586882989 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586882999 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586883001 KK Annotated Clean CC(C)CCOc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586883002 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586883003 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586883004 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586883005 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)cc(F)c6[nH]5)c34)c12 ZINC000586883012 KK Annotated Anodyne Cc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586883018 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Br)c([N+](=O)[O-])c6[nH]5)c34)c12 ZINC000586883019 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586883082 KK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(OC(F)(F)F)cc(Br)c6[nH]5)c34)c12 ZINC000586883111 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(C)ccc5ccccc45)[nH]c3cc21 ZINC000586883113 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Br)c(O)c6[nH]5)c34)c12 ZINC000586883121 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3cc21 ZINC000586883126 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)c(F)cc6[nH]5)c34)c12 ZINC000586883140 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(C)ccc5ccccc45)[nH]c3cc21 ZINC000586883171 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3c2)cc1 ZINC000586883183 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc1-2 ZINC000586883191 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(I)cc6[nH]5)c34)c12 ZINC000586883209 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Br)cnc(Br)c6[nH]5)c34)c12 ZINC000586883214 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(C)ccc4ccccc34)[nH]c21 ZINC000586883216 KK Annotated Clean O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)cc(Cl)c6[nH]5)c34)c12 ZINC000586883255 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c21 ZINC000586883278 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3cc21 ZINC000586883311 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3cc21 ZINC000586883312 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCC(=O)CC4)[nH]c3cc21 ZINC000586883329 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCCC(=O)CC4)[nH]c3cc21 ZINC000586883342 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCC(=O)CC3)[nH]c21 ZINC000586883434 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCCC(=O)CC3)[nH]c21 ZINC000586883435 KK Annotated Clean O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(CN7CCOCC7)cc6[nH]5)c34)c12 ZINC000586883523 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(SC(F)(F)F)cc6[nH]5)c34)c12 ZINC000586883536 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(S(F)(F)(F)(F)F)cc(Br)c6[nH]5)c34)c12 ZINC000586883545 KK Annotated Reactive Nc1ccc(-c2ccc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3c2)cc1N ZINC000586883546 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586883549 KK Annotated Mild O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(S(F)(F)(F)(F)F)cc6[nH]5)c34)c12 ZINC000586883555 KK Annotated Reactive O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(F)c(Br)c6[nH]5)c34)c12 ZINC000586883561 KK Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586883563 KK Annotated Anodyne CCCOc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586883571 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6[nH]c(Cl)nc(C(F)(F)F)c-6n5)c34)c12 ZINC000586883596 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3c2)cc1 ZINC000586883599 KK Annotated Clean O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Br)c(F)c6[nH]5)c34)c12 ZINC000586883620 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(F)cnc(Br)c6[nH]5)c34)c12 ZINC000586883657 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(I)cnc6[nH]5)c34)c12 ZINC000586883659 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)cc(Cl)c6[nH]5)c34)c12 ZINC000586883668 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c21 ZINC000586883697 KK Annotated Clean O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cccc(I)c6[nH]5)c34)c12 ZINC000586883705 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586883712 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(I)cnc(Cl)c6[nH]5)c34)c12 ZINC000586883758 KK Annotated Anodyne Cc1nc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2cc1Br ZINC000586883769 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586883779 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c(F)c1Nc1ccccc1 ZINC000586883827 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)cc([N+](=O)[O-])c6[nH]5)c34)c12 ZINC000586883843 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586883852 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3=CCCC3)[nH]c21 ZINC000586883877 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c21 ZINC000586883984 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c21 ZINC000586883985 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c21 ZINC000586884017 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c21 ZINC000586884018 KK Annotated Clean O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)F)cc(C(F)(F)F)c6[nH]5)c34)c12 ZINC000586884020 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c21 ZINC000586884023 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c21 ZINC000586884025 KK Annotated Clean Cc1c(Br)cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1C ZINC000586884036 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)c34)c12 ZINC000586884042 KK Annotated Bother CCOC(=O)Cc1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1 ZINC000586884044 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884060 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)c(F)c(F)c6[nH]5)c34)c12 ZINC000586884087 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4=CCCC4)[nH]c3cc21 ZINC000586884093 KK Annotated Clean O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)c(Br)cc6[nH]5)c34)c12 ZINC000586884115 KK Annotated Anodyne CCCCC1CCC(c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)CC1 ZINC000586884128 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(S(=O)(=O)Nc7cccc(C(F)(F)F)c7)cc6[nH]5)c34)c12 ZINC000586884177 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2cc1OC ZINC000586884180 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586884181 KK Annotated Bother O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(F)cc(C(F)(F)F)c6[nH]5)c34)c12 ZINC000586884184 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586884190 KK Annotated Bother O=C(O)c1cc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586884191 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586884193 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4=CCCC4)[nH]c3cc21 ZINC000586884201 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCC3)[nH]c21 ZINC000586884207 KK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884224 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Br)cc(OC(F)(F)F)c6[nH]5)c34)c12 ZINC000586884264 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6[nH]c(O)nc(NCc7ccccc7)c-6n5)c34)c12 ZINC000586884267 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(Cl)cc(Br)c6[nH]5)c34)c12 ZINC000586884269 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Br)cnc(Cl)c6[nH]5)c34)c12 ZINC000586884271 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586884277 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc(C(F)(F)C(F)(F)F)ncc6[nH]5)c34)c12 ZINC000586884290 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c12 ZINC000586884299 KK Annotated Anodyne CCCCOc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1Br ZINC000586884327 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3cc21 ZINC000586884375 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5C=CC[C@@H](C4)C5=O)[nH]c3cc21 ZINC000586884378 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3cc21 ZINC000586884636 KK Annotated Clean COC(=O)c1ccc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2c1OC ZINC000586884639 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)nc2c1 ZINC000586884640 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6c(Br)ccc(Br)c6[nH]5)c34)c12 ZINC000586884643 KK Annotated Anodyne Cc1ccc2ccccc2c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586884746 KK Annotated Bother Cc1ccc2ccccc2c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586884774 KK Annotated Anodyne N#Cc1cc2nc(-c3cccc4cccc(-c5cccc6cccc(C(=O)O)c56)c34)[nH]c2cc1C(F)(F)F ZINC000586884792 KK Annotated Mild CCCCC1CCC(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CC1 ZINC000586885075 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCC(=O)CC4)[nH]c3cc21 ZINC000586885222 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CCCC(=O)CC4)[nH]c3cc21 ZINC000586885230 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@](C)(O)C(C)C)[nH]c3cc21 ZINC000586885474 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@](C)(O)C(C)C)[nH]c3cc21 ZINC000586885495 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586885718 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586885731 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586885736 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586885741 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4cccc5cccc(-c6cccc7cccc(C(=O)O)c67)c45)[nH]c3c2)NNC(=O)C1 ZINC000586885867 KK Annotated Anodyne CCCCC1CCC(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000586885968 KK Annotated Bother O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(S(=O)(=O)N7CCOCC7)cc6[nH]5)c34)c12 ZINC000586885969 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6cc([N+](=O)[O-])c([N+](=O)[O-])cc6[nH]5)c34)c12 ZINC000586886025 KK Annotated Bother O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(Sc7ccccc7)cc6[nH]5)c34)c12 ZINC000586886064 KK Annotated Anodyne O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(C(=O)N7CCN(CCO)CC7)cc6[nH]5)c34)c12 ZINC000586886142 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586886741 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586886745 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](O)CC(=O)O)[nH]c3cc21 ZINC000586887060 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](O)CC(=O)O)[nH]c3cc21 ZINC000586887062 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3cc21 ZINC000586887353 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3cc21 ZINC000586887366 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3cc21 ZINC000586887374 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3cc21 ZINC000586887382 KK Annotated Anodyne Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586887651 KK Annotated Bother Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586887655 KK Annotated Bother Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586887656 KK Annotated Bother Cc1ccc([C@H](C)[C@H](O)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586887657 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](C)O)[nH]c3cc21 ZINC000586888205 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](C)O)[nH]c3cc21 ZINC000586888210 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@](C)(O)C(C)C)[nH]c21 ZINC000586888582 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@](C)(O)C(C)C)[nH]c21 ZINC000586888583 KK Annotated Clean CCCCC1CCC(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CC1 ZINC000586889026 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)c4cccc(O)c4)[nH]c3cc21 ZINC000586890546 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)c4cccc(O)c4)[nH]c3cc21 ZINC000586890552 KK Annotated Clean CC[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586890846 KK Annotated Anodyne CC[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586890853 KK Annotated Anodyne CC[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586890858 KK Annotated Anodyne CC[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586890864 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@]3(C)CC)[nH]c21 ZINC000586890885 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@]3(C)CC)[nH]c21 ZINC000586890890 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@]3(C)CC)[nH]c21 ZINC000586890893 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@]3(C)CC)[nH]c21 ZINC000586890896 KK Annotated Clean CCCCC1CCC(c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CC1 ZINC000586890899 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3cc21 ZINC000586891679 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3cc21 ZINC000586891682 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3cc21 ZINC000586891683 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3cc21 ZINC000586891684 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)[C@H](C)c3ccc(C)cc3)[nH]c21 ZINC000586891886 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)[C@H](C)c3ccc(C)cc3)[nH]c21 ZINC000586891894 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c21 ZINC000586891899 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)[C@@H](C)c3ccc(C)cc3)[nH]c21 ZINC000586891902 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@]4(C)CC)[nH]c3cc21 ZINC000586892108 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@]4(C)CC)[nH]c3cc21 ZINC000586892109 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@]4(C)CC)[nH]c3cc21 ZINC000586892111 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@]4(C)CC)[nH]c3cc21 ZINC000586892115 KK Annotated Clean O=C(O)c1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586892317 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586892318 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586892320 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586892322 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@]34CCc3ccccc34)[nH]c21 ZINC000586893026 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c21 ZINC000586893032 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c21 ZINC000586893038 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c21 ZINC000586893043 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](O)CC(=O)O)[nH]c21 ZINC000586893344 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](O)CC(=O)O)[nH]c21 ZINC000586893351 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586893738 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586893744 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586893746 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3cc21 ZINC000586893755 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](C)O)[nH]c21 ZINC000586893759 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](C)O)[nH]c21 ZINC000586893765 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)c3cccc(O)c3)[nH]c21 ZINC000586893777 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)c3cccc(O)c3)[nH]c21 ZINC000586893778 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586894114 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)[C@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586894115 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586894116 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)[C@@H](C)c4ccc(C)cc4)[nH]c3cc21 ZINC000586894117 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCCCCCCCCO)nc1-2 ZINC000586894381 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 ZINC000586894435 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCCCCCCCCO)[nH]c3cc21 ZINC000586894486 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCO)[nH]c3cc21 ZINC000586894582 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCCCCCCCCO)[nH]c21 ZINC000586894592 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCO)[nH]c21 ZINC000586894629 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CCCCCCCCCCCO)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586894650 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(CO)c3)[nH]c21 ZINC000586894679 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCCCCCCCCO)[nH]c3cc21 ZINC000586894784 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(CO)c4)[nH]c3cc21 ZINC000586894835 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2cc1Br ZINC000586894847 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4CO)c3)[nH]c21 ZINC000586894972 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(-c4ccccc4CO)c3)nc1-2 ZINC000586894981 KK Annotated Anodyne OCc1ccccc1-c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586895070 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3cccc(-c4ccccc4CO)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586895096 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(CO)c4)[nH]c3cc21 ZINC000586895097 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3cc21 ZINC000586895107 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3cc21 ZINC000586895114 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CO)cc4)nc3cc21 ZINC000586895218 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C34CCC(CO)(CC3)CC4)[nH]c21 ZINC000586895227 KK Annotated Clean O=C(O)c1cc2[nH]c(C34CCC(CO)(CC3)CC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586895354 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C45CCC(CO)(CC4)CC5)[nH]c3cc21 ZINC000586895759 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C45CCC(CO)(CC4)CC5)[nH]c3cc21 ZINC000586895808 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4cccc(O)c4)[nH]c3cc21 ZINC000586896205 KK Annotated Clean O=C(O)c1cc2[nH]c(C3(c4ccccc4O)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586896278 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccccc5O)CC4)[nH]c3cc21 ZINC000586896330 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c21 ZINC000586896454 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCc3cccc(O)c3)[nH]c21 ZINC000586896469 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2cc1Br ZINC000586896488 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCc4cccc(O)c4)[nH]c3cc21 ZINC000586896492 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(-c4ccccc4)c3O)nc1-2 ZINC000586896520 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3cccc(O)c3)[nH]c21 ZINC000586896562 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4cccc(O)c4)[nH]c3cc21 ZINC000586896599 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c3cc21 ZINC000586896627 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCc4cccc(O)c4)[nH]c3cc21 ZINC000586896751 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3cc21 ZINC000586896812 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4)c3O)[nH]c21 ZINC000586896899 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccccc4O)CC3)[nH]c21 ZINC000586896962 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(c5ccccc5O)CC4)[nH]c3cc21 ZINC000586896980 KK Annotated Anodyne CC(C)c1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586897042 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3cc21 ZINC000586897062 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CC[C@H](O)CC4)[nH]c3cc21 ZINC000586897083 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(C(C)C)cc(C(C)C)c4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586897120 KK Annotated Anodyne CC(C)c1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(O)c(C(C)C)c1 ZINC000586897145 KK Annotated Anodyne CC(C)c1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(O)c(C(C)C)c1 ZINC000586897168 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cccc(Cl)c2[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 ZINC000586897328 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(Cl)c2[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 ZINC000586897329 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586897335 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586897336 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3cc21 ZINC000586897343 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(OCC(C)C)c(Br)cc2[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 ZINC000586897346 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OCC(C)C)c(Br)cc2[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 ZINC000586897347 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)nc(C#N)c2[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 ZINC000586897349 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(Cl)nc(C#N)c2[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 ZINC000586897350 KK Annotated Mild CCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586897363 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586897364 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)c(Cl)cnc2[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 ZINC000586897373 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)c(Cl)cnc2[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 ZINC000586897374 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C#N)cc(Br)c2[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 ZINC000586897378 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(C#N)cc(Br)c2[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 ZINC000586897379 KK Annotated Mild CC(C)=CCC[C@H](c1nc2nc(Cl)c[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586897385 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2nc(Cl)c[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586897392 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586897402 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586897404 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(Br)cc2[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 ZINC000586897417 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(Br)cc2[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 ZINC000586897418 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Cl)c(C)c2[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 ZINC000586897425 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Cl)c(C)c2[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 ZINC000586897426 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)ccnc2[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 ZINC000586897458 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)ccnc2[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 ZINC000586897544 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(C)c2[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 ZINC000586897545 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(C)c2[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 ZINC000586897546 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2nc(Br)c[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586897551 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2nc(Br)c[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586897554 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C#N)cc(Cl)c2[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 ZINC000586897654 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(C#N)cc(Cl)c2[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 ZINC000586897661 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(Br)cc(C(=O)O)c2[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 ZINC000586897667 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(C(=O)O)c2[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 ZINC000586897674 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c3cc21 ZINC000586897694 KK Annotated Clean CC(C)=CCC[C@H](c1nc2c(C)c(Br)cnc2[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 ZINC000586897720 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)c(Br)cnc2[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 ZINC000586897724 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[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 ZINC000586897769 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[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 ZINC000586897770 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(C)c(Br)cc2[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 ZINC000586897780 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(Br)cc2[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 ZINC000586897781 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(C)nc2[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 ZINC000586897796 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(C)nc2[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 ZINC000586897797 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C3(c4ccc(O)cc4)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586897986 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3cc21 ZINC000586897999 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(Br)c2[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 ZINC000586898006 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(Br)c2[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 ZINC000586898012 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(C)c2[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 ZINC000586898024 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(C)c2[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 ZINC000586898027 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OCCC(C)C)c(Br)cc2[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 ZINC000586898043 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OCCC(C)C)c(Br)cc2[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 ZINC000586898046 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586898058 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586898062 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(Cl)cc(Br)c2[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 ZINC000586898065 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cc(Br)c2[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 ZINC000586898067 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586898096 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586898097 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Cl)nc2[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 ZINC000586898119 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Cl)nc2[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 ZINC000586898123 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)cc(Br)c2[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 ZINC000586898225 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)cc(Br)c2[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 ZINC000586898229 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(O)c2[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 ZINC000586898263 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(O)c2[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 ZINC000586898264 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c3cc21 ZINC000586898266 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c3cc21 ZINC000586898335 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[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 ZINC000586898499 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[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 ZINC000586898512 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(Cl)nc2[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 ZINC000586898521 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(Cl)nc2[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 ZINC000586898525 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586898528 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Br ZINC000586898535 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Cl)cc2[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 ZINC000586898556 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Cl)cc2[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 ZINC000586898559 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Cl ZINC000586898566 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1Cl ZINC000586898575 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)c(Br)cnc2[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 ZINC000586898582 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)c(Br)cnc2[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 ZINC000586898584 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncc(Br)c2[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 ZINC000586898598 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncc(Br)c2[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 ZINC000586898600 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(-c4ccc(O)cc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586898620 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(Cl)c(Cl)cc2[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 ZINC000586898626 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(Cl)cc2[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 ZINC000586898630 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)cnc(Br)c2[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 ZINC000586898632 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)cnc(Br)c2[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 ZINC000586898633 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)ccnc2[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 ZINC000586898657 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)ccnc2[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 ZINC000586898658 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)cnc(Cl)c2[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 ZINC000586898663 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)cnc(Cl)c2[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 ZINC000586898664 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)nc2[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 ZINC000586898678 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)nc2[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 ZINC000586898679 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)cc2[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 ZINC000586898682 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)cc2[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 ZINC000586898683 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(C)C)c(Br)cc2[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 ZINC000586898686 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccc(O)cc4)CC3)[nH]c21 ZINC000586898698 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(OC(C)C)c(Br)cc2[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 ZINC000586898700 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3-c3ccc(O)cc3)nc1-2 ZINC000586898722 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3-c3ccc(O)cc3)[nH]c21 ZINC000586898750 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c3cc21 ZINC000586898791 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(Br)c(C)c(C)c2[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 ZINC000586898944 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(C)c(C)c2[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 ZINC000586898946 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cc(C)c2[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 ZINC000586898971 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cc(C)c2[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 ZINC000586898973 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnc(Cl)[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586898984 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnc(Cl)[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586898985 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(Cl)cc2[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 ZINC000586899001 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(Cl)cc2[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 ZINC000586899004 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(-c4ccc(O)cc4)c3)nc1-2 ZINC000586899009 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cnc2[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 ZINC000586899021 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cnc2[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 ZINC000586899024 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c21 ZINC000586899045 KK Annotated Clean CC(C)=CCC[C@H](c1nc2c(Br)ccc(Br)c2[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 ZINC000586899087 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Br)ccc(Br)c2[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 ZINC000586899091 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccccc3-c3ccc(O)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586899118 KK Annotated Bother CC(C)=CCC[C@H](c1nc2ccnc(Br)c2[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 ZINC000586899152 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(Br)c2[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 ZINC000586899154 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)ncc2[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 ZINC000586899166 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)ncc2[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 ZINC000586899167 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586899170 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586899173 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3cc21 ZINC000586899190 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncc(Cl)c2[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 ZINC000586899318 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncc(Cl)c2[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 ZINC000586899319 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[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 ZINC000586899325 KK Annotated Bother CC(C)=CCC[C@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[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 ZINC000586899326 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[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 ZINC000586899331 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[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 ZINC000586899332 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(Cl)cc(Cl)c2[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 ZINC000586899351 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cc(Cl)c2[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 ZINC000586899355 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4c(c3O)CCCC4)[nH]c21 ZINC000586899371 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3ccc4c(c3O)CCCC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586899374 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(Br)cnc2[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 ZINC000586899379 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cnc2[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 ZINC000586899383 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(Cl)c2[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 ZINC000586899387 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(Cl)c2[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 ZINC000586899392 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CC[C@H](O)CC3)[nH]c21 ZINC000586899434 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(O)cc5)CC4)[nH]c3cc21 ZINC000586899489 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CC[C@H](O)CC4)[nH]c3cc21 ZINC000586899940 KK Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586900052 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3cc21 ZINC000586900057 KK Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586900071 KK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586900096 KK Annotated Reactive CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccoc5COc5ccc(C=O)cc5)[nH]c4c3)cc2)CC1 ZINC000586900099 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)nc12 ZINC000586900110 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)nc12 ZINC000586900114 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[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 ZINC000586900115 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[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 ZINC000586900119 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)nc(S)nc2[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 ZINC000586900130 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)nc(S)nc2[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 ZINC000586900133 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(N)=O)c2[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 ZINC000586900140 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)C(C)(C)CO)[nH]c21 ZINC000586900143 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cccc(C(N)=O)c2[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 ZINC000586900145 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[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 ZINC000586900153 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[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 ZINC000586900160 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@H](O)c4ccccc43)[nH]c21 ZINC000586900170 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c21 ZINC000586900173 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c21 ZINC000586900176 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c21 ZINC000586900177 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc(C#N)cc2[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 ZINC000586900179 KK Annotated Mild CC(C)=CCC[C@H](c1nc2ccc(C#N)cc2[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 ZINC000586900187 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900195 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900196 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900197 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900202 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(Br)c(F)cc2[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 ZINC000586900203 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(F)cc2[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 ZINC000586900206 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC6)[nH]c3cc21 ZINC000586900240 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC6)[nH]c3cc21 ZINC000586900244 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(I)c2[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 ZINC000586900247 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(I)c2[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 ZINC000586900250 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnc3ccccc3c2[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 ZINC000586900278 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnc3ccccc3c2[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 ZINC000586900283 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[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 ZINC000586900293 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[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 ZINC000586900296 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900297 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](O)CC(C)C)[nH]c3cc21 ZINC000586900338 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900402 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[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 ZINC000586900407 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[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 ZINC000586900410 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(CN3CCOCC3)cc2[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 ZINC000586900412 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(CN3CCOCC3)cc2[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 ZINC000586900413 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(F)(F)F)cc2[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 ZINC000586900418 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(F)(F)F)cc2[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 ZINC000586900423 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(C(=O)O)c2[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 ZINC000586900424 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(C(=O)O)c2[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 ZINC000586900425 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[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 ZINC000586900426 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[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 ZINC000586900428 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(F)c(F)c(F)c(F)c2[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 ZINC000586900429 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(F)c(F)c(F)c(F)c2[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 ZINC000586900431 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(O)cc2[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 ZINC000586900449 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(O)cc2[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 ZINC000586900450 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)nc(C)cc2[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 ZINC000586900451 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)nc(C)cc2[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 ZINC000586900454 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900459 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900460 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(=O)O)c2[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 ZINC000586900465 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(=O)O)c2[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 ZINC000586900469 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)nc(N)nc2[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 ZINC000586900472 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)nc(N)nc2[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 ZINC000586900474 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900490 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900494 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c21 ZINC000586900503 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccccc2[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 ZINC000586900513 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccccc2[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 ZINC000586900520 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3coc(C#Cc4ccccc4)c3)nc1-2 ZINC000586900532 KK Annotated Mild CC(C)=CCC[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=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 ZINC000586900545 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=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 ZINC000586900547 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc3ccccc3cc2[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 ZINC000586900548 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3ccccc3cc2[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 ZINC000586900554 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[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 ZINC000586900558 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[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 ZINC000586900563 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586900566 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586900571 KK Annotated Anodyne CCc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900581 KK Annotated Anodyne CCc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586900585 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccoc4C4CC4)[nH]c3cc21 ZINC000586900608 KK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000586900668 KK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586900674 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)C(C)(C)CO)[nH]c3cc21 ZINC000586900735 KK Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586900748 KK Annotated Anodyne O=Cc1ccc(OCc2occc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586900750 KK Annotated Bother CC(C)=CCC[C@H](c1nc2ccc(Sc3ccccc3)cc2[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 ZINC000586900783 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Sc3ccccc3)cc2[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 ZINC000586900787 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3nc(O)[nH]c3cc2[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 ZINC000586900788 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3nc(O)[nH]c3cc2[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 ZINC000586900792 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(F)cnc(Br)c2[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 ZINC000586900799 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(F)cnc(Br)c2[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 ZINC000586900805 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC6)[nH]c3c2)cc1 ZINC000586900808 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC6)[nH]c3c2)cc1 ZINC000586900810 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc3ncccc3c2[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 ZINC000586900817 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc3ncccc3c2[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 ZINC000586900818 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(OC(F)(F)F)cc2[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 ZINC000586900819 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(OC(F)(F)F)cc2[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 ZINC000586900823 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Oc3ccccc3)cc2[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 ZINC000586900832 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Oc3ccccc3)cc2[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 ZINC000586900836 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(S(N)(=O)=O)c2[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 ZINC000586900846 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(S(N)(=O)=O)c2[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 ZINC000586900852 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[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 ZINC000586900871 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[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 ZINC000586900877 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C)c(C)c2[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 ZINC000586900882 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C)c(C)c2[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 ZINC000586900884 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc([N+](=O)[O-])cc2[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 ZINC000586900896 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3cc21 ZINC000586900900 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc([N+](=O)[O-])cc2[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 ZINC000586900905 KK Annotated Bother CC(C)=CCC[C@H](c1nc2ccc(C(=O)O)cc2[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 ZINC000586900908 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)O)cc2[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 ZINC000586900910 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C)cc2[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 ZINC000586900925 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C)cc2[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 ZINC000586900935 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900953 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900960 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900961 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H](O)c5ccccc54)[nH]c3cc21 ZINC000586900962 KK Annotated Anodyne CC[C@H](O)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586900982 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[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 ZINC000586900991 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[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 ZINC000586900997 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(O)c2[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 ZINC000586901000 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(O)c2[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 ZINC000586901002 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)cnc(Cl)c2[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 ZINC000586901004 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4coc(C#Cc5ccccc5)c4)[nH]c3cc21 ZINC000586901005 KK Annotated Mild CC(C)=CCC[C@H](c1nc2c(Cl)cnc(Cl)c2[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 ZINC000586901006 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[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 ZINC000586901009 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[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 ZINC000586901014 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(C)(C)C)nc2[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 ZINC000586901015 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(C)(C)C)nc2[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 ZINC000586901019 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(OC(F)(F)F)c2[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 ZINC000586901223 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(OC(F)(F)F)c2[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 ZINC000586901227 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(N)c(N)cc2[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 ZINC000586901228 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(N)c(N)cc2[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 ZINC000586901232 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(Cl)c2[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 ZINC000586901235 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(Cl)c2[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 ZINC000586901239 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(=O)O)c(F)cc2[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 ZINC000586901242 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(=O)O)c(F)cc2[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 ZINC000586901245 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[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 ZINC000586901246 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[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 ZINC000586901251 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3C[C@H](O)c4ccccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586901253 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@H](O)c4ccccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586901257 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H](O)c4ccccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586901258 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@@H](O)c4ccccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586901260 KK Annotated Bother CC(C)=CCC[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586901290 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586901294 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1F ZINC000586901318 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1F ZINC000586901324 KK Annotated Anodyne COc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586901325 KK Annotated Anodyne COc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586901328 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c3ccccc3c3ccccc3c2[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 ZINC000586901340 KK Annotated Bother CC(C)=CCC[C@H](c1nc2c3ccccc3c3ccccc3c2[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 ZINC000586901353 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(C)cc(C)c2[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 ZINC000586901356 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)cc(C)c2[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 ZINC000586901357 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(I)cnc(Cl)c2[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 ZINC000586901362 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccoc3COc3ccc(C=O)cc3)nc1-2 ZINC000586901374 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(I)cnc(Cl)c2[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 ZINC000586901375 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)ncc2[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 ZINC000586901384 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)ncc2[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 ZINC000586901399 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(F)c(F)c2[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 ZINC000586901408 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(F)c(F)c2[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 ZINC000586901418 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C)nc2[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 ZINC000586901432 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C)nc2[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 ZINC000586901439 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)CC(C)C)[nH]c3cc21 ZINC000586901495 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)CC(C)C)[nH]c21 ZINC000586901617 KK Annotated Clean O=Cc1ccc(OCc2occc2-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586901643 KK Annotated Anodyne CC[C@H](O)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586901659 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc(F)c(Br)c2[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 ZINC000586901728 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(F)c(Br)c2[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 ZINC000586901731 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1Br ZINC000586901749 KK Annotated Mild COc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2n1 ZINC000586901753 KK Annotated Anodyne COc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2n1 ZINC000586901758 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(I)cnc2[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 ZINC000586901760 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(I)cnc2[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 ZINC000586901768 KK Annotated Anodyne COc1cncc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586901769 KK Annotated Anodyne COc1cncc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586901774 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(I)cc2[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 ZINC000586901777 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(I)cc2[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 ZINC000586901780 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[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 ZINC000586901790 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[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 ZINC000586901793 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCC=C(C)C)[C@@H]5CC[C@]6(C)C7=C(CC[C@@]56C)[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC7)[nH]c4c3)o2)cc1 ZINC000586901797 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCC=C(C)C)[C@@H]5CC[C@]6(C)C7=C(CC[C@@]56C)[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC7)[nH]c4c3)o2)cc1 ZINC000586901802 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccoc4C4CC4)[nH]c3cc21 ZINC000586901814 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc3nc(C)ccc3c2[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 ZINC000586901818 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc3nc(C)ccc3c2[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 ZINC000586901826 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(Br)c2[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 ZINC000586901830 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(Br)c2[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 ZINC000586901835 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[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 ZINC000586901837 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[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 ZINC000586901844 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccoc3C3CC3)[nH]c21 ZINC000586901860 KK Annotated Clean COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1OC ZINC000586901864 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1OC ZINC000586901872 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[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 ZINC000586901875 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[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 ZINC000586901886 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[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 ZINC000586901911 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[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 ZINC000586901915 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C#N)c(C#N)cc2[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 ZINC000586901918 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(C#N)c(C#N)cc2[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 ZINC000586901921 KK Annotated Mild COc1nccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586901925 KK Annotated Anodyne COc1nccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586901928 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586901968 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3coc(C#Cc4ccccc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586901972 KK Annotated Mild CCOC(=O)Cc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586901973 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cn1 ZINC000586901980 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cn1 ZINC000586901982 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)cc1 ZINC000586902017 KK Annotated Anodyne CCOCc1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)o1 ZINC000586902146 KK Annotated Clean CCOCc1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)o1 ZINC000586902165 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc21 ZINC000586902179 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[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 ZINC000586902211 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[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 ZINC000586902216 KK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)o1 ZINC000586902227 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc3cn[nH]c3cc2[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 ZINC000586902229 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3cn[nH]c3cc2[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 ZINC000586902237 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(C)(C)C)c2[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 ZINC000586902240 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(C)(C)C)c2[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 ZINC000586902247 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c(C)cc2[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 ZINC000586902256 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c(C)cc2[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 ZINC000586902257 KK Annotated Bother CC(C)=CCC[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586902258 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586902262 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(O)c2[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 ZINC000586902282 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(O)c2[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 ZINC000586902283 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)ncnc2[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 ZINC000586902286 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(Cl)ncnc2[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 ZINC000586902290 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(N)(=O)=O)cc2[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 ZINC000586902295 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(N)(=O)=O)cc2[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 ZINC000586902298 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(F)cc2[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 ZINC000586902299 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)c(F)cc2[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 ZINC000586902305 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3coc(C#Cc4ccccc4)c3)[nH]c21 ZINC000586902311 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4coc(C#Cc5ccccc5)c4)[nH]c3cc21 ZINC000586902335 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 ZINC000586902337 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1C ZINC000586902363 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cc1C ZINC000586902383 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[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 ZINC000586902384 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[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 ZINC000586902392 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)c(F)c(F)c2[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 ZINC000586902436 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)c(F)c(F)c2[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 ZINC000586902444 KK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586902459 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncnc2[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 ZINC000586902469 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncnc2[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 ZINC000586902480 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)ncnc2[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 ZINC000586902486 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)ncnc2[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 ZINC000586902494 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)nc(O)nc2[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 ZINC000586902496 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(O)nc(O)nc2[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 ZINC000586902507 KK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586902550 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c21 ZINC000586902615 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(C)oc5c4C(=O)CCC5)[nH]c3cc21 ZINC000586902629 KK Annotated Clean CC(C)=CCC[C@H](c1nc2ccc(F)c(C)c2[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 ZINC000586902654 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(F)c(C)c2[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 ZINC000586902661 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3cc4ccccc4o3)nc1-2 ZINC000586902662 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(F)c2[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 ZINC000586902684 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(F)c2[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 ZINC000586902692 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(SC(F)(F)F)cc2[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 ZINC000586902704 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(SC(F)(F)F)cc2[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 ZINC000586902708 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)ccnc2[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 ZINC000586902710 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)ccnc2[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 ZINC000586902713 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC6)[nH]c3cc21 ZINC000586902789 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC6)[nH]c3cc21 ZINC000586902806 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cnnc(O)c2[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 ZINC000586902846 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnnc(O)c2[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 ZINC000586902847 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[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 ZINC000586902849 KK Annotated Reactive CC(C)=CCC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[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 ZINC000586902869 KK Annotated Reactive CC(C)=CCC[C@H](c1nc2ccc(OCc3ccccc3)cc2[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 ZINC000586902883 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(OCc3ccccc3)cc2[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 ZINC000586902888 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(N)=O)cc2[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 ZINC000586902895 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(N)=O)cc2[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 ZINC000586902896 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586902898 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586902906 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(C)oc5c4C(=O)CCC5)[nH]c3cc21 ZINC000586902951 KK Annotated Anodyne CCOCc1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)o1 ZINC000586902989 KK Annotated Clean Cc1ccc(-c2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)o1 ZINC000586903002 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(-n3cccn3)c(F)cc2[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 ZINC000586903088 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(-n3cccn3)c(F)cc2[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 ZINC000586903091 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903120 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903123 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(CCO)cc2[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 ZINC000586903124 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(CCO)cc2[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 ZINC000586903127 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2n1 ZINC000586903130 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2n1 ZINC000586903131 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(F)cnc(Cl)c2[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 ZINC000586903141 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(F)cnc(Cl)c2[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 ZINC000586903148 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(C)cc2[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 ZINC000586903149 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(C)cc2[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 ZINC000586903151 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[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 ZINC000586903152 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[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 ZINC000586903155 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[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 ZINC000586903156 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[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 ZINC000586903160 KK Annotated Bother CC(C)=CCC[C@H](c1nc2c(N)ccnc2[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 ZINC000586903164 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(N)ccnc2[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 ZINC000586903167 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ncc[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903209 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ncc[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903213 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[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 ZINC000586903252 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])c(F)cc2[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 ZINC000586903259 KK Annotated Bother CCc1oc2ccccc2c1-c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586903283 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc4c(C=O)ccc(OC)c4o3)nc21 ZINC000586903330 KK Annotated Clean COc1ccc(C=O)c2cc(-c3nc4cc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)ccc4[nH]3)oc12 ZINC000586903366 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(C)o5)cc4)nc3cc21 ZINC000586903428 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)O)cc2[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 ZINC000586903437 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)O)cc2[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 ZINC000586903438 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[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 ZINC000586903439 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[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 ZINC000586903440 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903445 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903446 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c(F)c1Nc1ccccc1 ZINC000586903447 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c(F)c1Nc1ccccc1 ZINC000586903448 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[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 ZINC000586903449 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[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 ZINC000586903450 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccnc2[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 ZINC000586903451 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccnc2[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 ZINC000586903452 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C#N)c2[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 ZINC000586903453 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cccc(C#N)c2[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 ZINC000586903461 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cncc(C)c2[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 ZINC000586903462 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncc(C)c2[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 ZINC000586903463 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[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 ZINC000586903464 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[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 ZINC000586903467 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(OC(C)C)cc2[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 ZINC000586903473 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(OC(C)C)cc2[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 ZINC000586903477 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)c(F)cc2[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 ZINC000586903482 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)c(F)cc2[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 ZINC000586903485 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2nc(C#N)c(C#N)nc2[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 ZINC000586903496 KK Annotated Mild CC(C)=CCC[C@H](c1nc2nc(C#N)c(C#N)nc2[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 ZINC000586903500 KK Annotated Mild CC(C)=CCC[C@H](c1nc2ccc(OCCN(C)C)cc2[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 ZINC000586903501 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(OCCN(C)C)cc2[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 ZINC000586903504 KK Annotated Anodyne CSc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586903506 KK Annotated Anodyne CSc1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586903511 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[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 ZINC000586903534 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[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 ZINC000586903535 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCO3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903547 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCO3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903553 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903562 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCCO3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903567 KK Annotated Anodyne C=CCc1cccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586903582 KK Annotated Mild C=CCc1cccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586903589 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cnncc2[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 ZINC000586903592 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnncc2[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 ZINC000586903594 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[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 ZINC000586903611 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[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 ZINC000586903616 KK Annotated Anodyne COc1ccc(C=O)c2cc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)oc12 ZINC000586903817 KK Annotated Bother CC(C)=CCC[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[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 ZINC000586903841 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)c3ccccc3)cc2[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 ZINC000586903842 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(F)c(F)c2[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 ZINC000586903847 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)c(F)c(F)c2[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 ZINC000586903848 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[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 ZINC000586903861 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[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 ZINC000586903862 KK Annotated Mild CC(C)=CCC[C@H](c1nc2cc(N)ncc2[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 ZINC000586903867 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(N)ncc2[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 ZINC000586903868 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cc(F)c2[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 ZINC000586903869 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)cc(F)c2[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 ZINC000586903870 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cncc([N+](=O)[O-])c2[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 ZINC000586903875 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cncc([N+](=O)[O-])c2[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 ZINC000586903876 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903878 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586903879 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc([C@H](N)N=O)cc2[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 ZINC000586903880 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc([C@@H](N)N=O)cc2[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 ZINC000586903881 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc([C@H](N)N=O)cc2[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 ZINC000586903882 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc([C@@H](N)N=O)cc2[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 ZINC000586903883 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(C)(=O)=O)cc2[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 ZINC000586903884 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(C)(=O)=O)cc2[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 ZINC000586903885 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cn1 ZINC000586903899 KK Annotated Anodyne COc1cc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2cn1 ZINC000586903901 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586903914 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586903916 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(C)o5)cc4)nc3cc21 ZINC000586903930 KK Annotated Clean COC(=O)c1cc2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)nc2cc1OC ZINC000586903939 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)nc2cc1OC ZINC000586903942 KK Annotated Anodyne COc1cccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586903945 KK Annotated Anodyne COc1cccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586903947 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(OCc3ccccc3)c2[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 ZINC000586903951 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(OCc3ccccc3)c2[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 ZINC000586903952 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(F)c2[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 ZINC000586903957 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(Br)c(F)c2[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 ZINC000586903960 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(CO)cc2[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 ZINC000586903967 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(CO)cc2[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 ZINC000586904198 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[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 ZINC000586904207 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[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 ZINC000586904212 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586904213 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586904214 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@@H](O)C(C)(C)[C@@H]4CC6)[nH]c3c2)cc1 ZINC000586904220 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CCC=C(C)C)[C@@H]4CC[C@]5(C)C6=C(CC[C@@]45C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC6)[nH]c3c2)cc1 ZINC000586904221 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586904231 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc3c(c2[nH]1)CCCC3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586904236 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[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 ZINC000586904241 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[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 ZINC000586904242 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)nc(Cl)c2[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 ZINC000586904279 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)nc(Cl)c2[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 ZINC000586904280 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(F)cc2[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 ZINC000586904291 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(F)cc2[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 ZINC000586904292 KK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586904362 KK Annotated Anodyne CCc1oc2ccccc2c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586904366 KK Annotated Bother Cc1oc2c(c1-c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)C(=O)CCC2 ZINC000586904404 KK Annotated Bother CCc1oc2ccccc2c1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586904429 KK Annotated Clean CC(C)=CCC[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586904431 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c[nH]c(=N)[nH]c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586904432 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cnc2[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 ZINC000586904449 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cnc2[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 ZINC000586904450 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc([N+](=O)[O-])c2[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 ZINC000586904471 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cccc([N+](=O)[O-])c2[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 ZINC000586904472 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(Br)cc(F)c2[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 ZINC000586904481 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(F)c2[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 ZINC000586904484 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(C)(C)C)cc2[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 ZINC000586904488 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(C)(C)C)cc2[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 ZINC000586904489 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(F)cc2[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 ZINC000586904495 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)c(F)cc2[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 ZINC000586904497 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[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 ZINC000586904500 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[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 ZINC000586904503 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586904504 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c12 ZINC000586904505 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[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 ZINC000586904513 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[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 ZINC000586904515 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)cnc(Cl)c2[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 ZINC000586904522 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)cnc(Cl)c2[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 ZINC000586904523 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(F)(F)F)c2[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 ZINC000586904533 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C(F)(F)F)c2[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 ZINC000586904534 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586904536 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586904541 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3nc4ccccc4nc3cc2[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 ZINC000586904552 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc3nc4ccccc4nc3cc2[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 ZINC000586904553 KK Annotated Bother CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[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 ZINC000586904554 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[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 ZINC000586904556 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(F)c(F)c2[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 ZINC000586904562 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(F)c(F)c2[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 ZINC000586904563 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(C=O)ccc(OC)c5o4)nc3cc21 ZINC000586904583 KK Annotated Clean COc1ccc(C=O)c2cc(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)oc12 ZINC000586904627 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc3cc21 ZINC000586904664 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc3cc21 ZINC000586904667 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[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 ZINC000586904803 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[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 ZINC000586904805 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[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 ZINC000586904812 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[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 ZINC000586904813 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1OC ZINC000586904824 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1OC ZINC000586904825 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c21 ZINC000586904827 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c21 ZINC000586904828 KK Annotated Clean CC(C)=CCC[C@H](c1nc2cc(C)cc(F)c2[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 ZINC000586904835 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)cc(F)c2[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 ZINC000586904836 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[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 ZINC000586904837 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[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 ZINC000586904838 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[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 ZINC000586904891 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[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 ZINC000586904893 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586904930 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586904933 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[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 ZINC000586904977 KK Annotated Reactive CC(C)=CCC[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[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 ZINC000586904980 KK Annotated Reactive CC(C)=CCC[C@H](c1nc2cc(Cl)ncc2[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 ZINC000586904987 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(Cl)ncc2[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 ZINC000586904988 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[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 ZINC000586904999 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[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 ZINC000586905002 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 ZINC000586905009 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000586905010 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(F)c2[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 ZINC000586905026 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(F)cc(F)c2[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 ZINC000586905029 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)cnc2[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 ZINC000586905049 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C)cnc2[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 ZINC000586905050 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(-n3cnnn3)cc2[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 ZINC000586905060 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(-n3cnnn3)cc2[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 ZINC000586905064 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])cnc2[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 ZINC000586905065 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc([N+](=O)[O-])cnc2[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 ZINC000586905066 KK Annotated Bother CC(C)=CCC[C@H](c1nc2c3cccnc3c3ncccc3c2[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 ZINC000586905069 KK Annotated Bother CC(C)=CCC[C@H](c1nc2c3cccnc3c3ncccc3c2[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 ZINC000586905071 KK Annotated Bother CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cnc2[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 ZINC000586905074 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cc(C(F)(F)F)cnc2[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 ZINC000586905075 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)nccc2[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 ZINC000586905082 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)nccc2[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 ZINC000586905083 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnccc2[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 ZINC000586905102 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cnccc2[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 ZINC000586905104 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)N(C)C)cc2[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 ZINC000586905105 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)N(C)C)cc2[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 ZINC000586905110 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=O)NN)cc2[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 ZINC000586905115 KK Annotated Reactive CC(C)=CCC[C@H](c1nc2ccc(C(=O)NN)cc2[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 ZINC000586905117 KK Annotated Reactive COC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586905119 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)[nH]c2c1 ZINC000586905160 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(N)c2[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 ZINC000586905165 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccnc(N)c2[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 ZINC000586905166 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(N)ncnc2[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 ZINC000586905172 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(N)ncnc2[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 ZINC000586905173 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)ccc(C)c2[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 ZINC000586905174 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(C)ccc(C)c2[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 ZINC000586905175 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[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 ZINC000586905176 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[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 ZINC000586905177 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=N)N)cc2[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 ZINC000586905186 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2ccc(C(=N)N)cc2[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 ZINC000586905187 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(S)nc(S)nc2[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 ZINC000586905214 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2c(S)nc(S)nc2[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 ZINC000586905215 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586905216 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCC=C(C)C)[C@@H]3CC[C@]4(C)C5=C(CC[C@@]34C)[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC5)nc2c1 ZINC000586905217 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C)c2[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 ZINC000586905230 KK Annotated Anodyne CC(C)=CCC[C@H](c1nc2cccc(C)c2[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 ZINC000586905231 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4occ5c4CCC5)[nH]c3cc21 ZINC000586905338 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3occ4c3CCC4)[nH]c21 ZINC000586905470 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4occ5c4CCC5)[nH]c3cc21 ZINC000586905513 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc21 ZINC000586905561 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc21 ZINC000586905562 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4oc5c(c4C)[C@@H](O)CCC5)nc3cc21 ZINC000586905590 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4oc5c(c4C)[C@H](O)CCC5)nc3cc21 ZINC000586905591 KK Annotated Clean Cc1c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)oc2c1[C@H](O)CCC2 ZINC000586905702 KK Annotated Bother Cc1c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)oc2c1[C@@H](O)CCC2 ZINC000586905703 KK Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)C(F)(F)F)ncc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905909 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)C(F)(F)F)ncc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905910 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)C(F)(F)F)ncc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905911 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)C(F)(F)F)ncc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905913 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccccc8Cl)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905926 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccccc8Cl)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905930 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccccc8Cl)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905931 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccccc8Cl)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586905932 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C3/OC(=O)c4ccccc43)[nH]c21 ZINC000586905944 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C3\OC(=O)c4ccccc43)[nH]c21 ZINC000586905947 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906011 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906012 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906013 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906014 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Oc8ccc(N)cc8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906203 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Oc8ccc(N)cc8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906204 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Oc8ccc(N)cc8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906205 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Oc8ccc(N)cc8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906206 KK Annotated Clean CCCCCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586906223 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586906225 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586906226 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586906227 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3CCc4occc4C3=O)[nH]c21 ZINC000586906300 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3CCc4occc4C3=O)[nH]c21 ZINC000586906301 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3cc21 ZINC000586906353 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3cc21 ZINC000586906354 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4cc5ccccc5o4)[nH]c3cc21 ZINC000586906424 KK Annotated Clean CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@H](O)[C@H]5O)[nH]c4c3)cc2)CC1 ZINC000586906487 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@H](O)[C@@H]5O)[nH]c4c3)cc2)CC1 ZINC000586906491 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@@H](O)[C@H]5O)[nH]c4c3)cc2)CC1 ZINC000586906492 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@@H](O)[C@@H]5O)[nH]c4c3)cc2)CC1 ZINC000586906493 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c21 ZINC000586906495 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c21 ZINC000586906497 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c21 ZINC000586906499 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c21 ZINC000586906503 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c(C(F)(F)F)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906574 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c(C(F)(F)F)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906576 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c(C(F)(F)F)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906577 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(Br)c(C(F)(F)F)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586906578 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3cc21 ZINC000586906589 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3cc21 ZINC000586906598 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@H](O)[C@@H]5O)[nH]c4c3)o2)cc1 ZINC000586906821 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@@H](O)[C@@H]5O)[nH]c4c3)o2)cc1 ZINC000586906826 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@@H](O)[C@H]5O)[nH]c4c3)o2)cc1 ZINC000586906829 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(=CC[C@@H]8[C@H]9CCC(=O)[C@@]9(C)CC[C@H]87)C6)[C@H](O)[C@H](O)[C@H]5O)[nH]c4c3)o2)cc1 ZINC000586906834 KK Annotated Anodyne CCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586906895 KK Annotated Anodyne CCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586906898 KK Annotated Anodyne CCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586906900 KK Annotated Anodyne CCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586906902 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907011 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907018 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907023 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907024 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3cc21 ZINC000586907061 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC3OCCO3)[nH]c21 ZINC000586907149 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c21 ZINC000586907160 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3cc4ccccc4o3)[nH]c21 ZINC000586907250 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3cc21 ZINC000586907297 KK Annotated Reactive O=C(O)c1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586907503 KK Annotated Bother C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907546 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907561 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907567 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7c(N)nc(-c8nn(Cc9ccccc9F)c9ncccc89)nc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907569 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Br)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907629 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Br)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907636 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Br)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907638 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Br)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586907639 KK Annotated Anodyne O=C1O/C(=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c2ccccc21 ZINC000586907771 KK Annotated Bother O=C1O/C(=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c2ccccc21 ZINC000586907772 KK Annotated Bother C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907849 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907864 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907865 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8cccc(C(F)(F)F)c8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586907866 KK Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586907906 KK Annotated Clean CC[C@@H]1OCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586907919 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(C4=Cc5cccc(O)c5OC4)nc3cc21 ZINC000586907920 KK Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586907922 KK Annotated Clean CC[C@H]1OCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586907928 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C4\OC(=O)c5ccccc54)[nH]c3cc21 ZINC000586908186 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C4/OC(=O)c5ccccc54)[nH]c3cc21 ZINC000586908190 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908323 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908324 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908325 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908326 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(OCc8ccccc8)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908345 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(OCc8ccccc8)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908348 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(OCc8ccccc8)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908350 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(OCc8ccccc8)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908351 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C3=Cc4cccc(O)c4OC3)nc21 ZINC000586908356 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCCC#CCO[C@H]3CCCCO3)nc1-2 ZINC000586908432 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCCC#CCO[C@@H]3CCCCO3)nc1-2 ZINC000586908436 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586908448 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586908450 KK Annotated Mild O=C(O)c1cc2[nH]c(C[C@@H]3CCc4occc4C3=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586908506 KK Annotated Bother O=C(O)c1cc2[nH]c(C[C@H]3CCc4occc4C3=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586908507 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4cc5ccccc5o4)[nH]c3cc21 ZINC000586908516 KK Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586908674 KK Annotated Clean CC[C@H]1OCCC[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586908678 KK Annotated Clean CC[C@H]1OCCC[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586908680 KK Annotated Clean CC[C@@H]1OCCC[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586908684 KK Annotated Clean C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CN9CCN(C)CC9)cc8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586908764 KK Annotated Anodyne O=C(O)c1cc2nc(C3=Cc4cccc(O)c4OC3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586908775 KK Annotated Bother C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CN9CCN(C)CC9)cc8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586908776 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CN9CCN(C)CC9)cc8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586908779 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CN9CCN(C)CC9)cc8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586908783 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908904 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908905 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908906 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586908907 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586909014 KK Annotated Mild O=C(O)c1cc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586909022 KK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c12 ZINC000586909042 KK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c12 ZINC000586909049 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3COCCO3)[nH]c21 ZINC000586909141 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3COCCO3)[nH]c21 ZINC000586909144 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H]4CCc5occc5C4=O)[nH]c3cc21 ZINC000586909240 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CCc5occc5C4=O)[nH]c3cc21 ZINC000586909241 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC4OCCO4)[nH]c3cc21 ZINC000586909383 KK Annotated Clean C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CCN9CCN(C)CC9)cc8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586909526 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CCN9CCN(C)CC9)cc8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586909532 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CCN9CCN(C)CC9)cc8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586909534 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(C(=O)Nc8ccc(CCN9CCN(C)CC9)cc8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586909535 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909537 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909542 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909590 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909600 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586909616 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586909618 KK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 ZINC000586909662 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 ZINC000586909666 KK Annotated Reactive CCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586909703 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586909704 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586909705 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586909706 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCCCCC#CCO[C@H]5CCCCO5)[nH]c4c3)cc2)CC1 ZINC000586909710 KK Annotated Mild CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCCCCC#CCO[C@@H]5CCCCO5)[nH]c4c3)cc2)CC1 ZINC000586909714 KK Annotated Mild CC(C)CCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586909740 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586909741 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586909742 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586909743 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c21 ZINC000586909950 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c21 ZINC000586909953 KK Annotated Mild Brc1cc2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2cc1OCc1ccccc1 ZINC000586909986 KK Annotated Mild Brc1cc2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2cc1OCc1ccccc1 ZINC000586909987 KK Annotated Mild CC(C)COc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586910006 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586910007 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586910008 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586910009 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc(OC(F)(F)F)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910014 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc(OC(F)(F)F)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910015 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc(OC(F)(F)F)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910016 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(Br)cc(OC(F)(F)F)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910017 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3cc21 ZINC000586910050 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@@H]4O)[nH]c3cc21 ZINC000586910051 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@H]4O)[nH]c3cc21 ZINC000586910052 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@H]4O)[nH]c3cc21 ZINC000586910053 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3c2)cc1 ZINC000586910212 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3c2)cc1 ZINC000586910233 KK Annotated Mild C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Cl)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910269 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Cl)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910277 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Cl)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910280 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)c(Cl)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586910283 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910311 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910316 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910319 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910324 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910366 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910370 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910372 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OCc8ccccc8)c(Br)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586910374 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@@H]4O)[nH]c3cc21 ZINC000586910377 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@H]4O)[nH]c3cc21 ZINC000586910390 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@H]4O)[nH]c3cc21 ZINC000586910391 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3cc21 ZINC000586910397 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586910426 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586910427 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586910431 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586910435 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCCCCC#CCO[C@H]5CCCCO5)[nH]c4c3)o2)cc1 ZINC000586910544 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(CCCCCC#CCO[C@@H]5CCCCO5)[nH]c4c3)o2)cc1 ZINC000586910547 KK Annotated Mild CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCCCCC#CCO[C@H]5CCCCO5)[nH]c4c3)cc2)CC1 ZINC000586910554 KK Annotated Mild CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCCCCC#CCO[C@@H]5CCCCO5)[nH]c4c3)cc2)CC1 ZINC000586910559 KK Annotated Mild CCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586910728 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586910729 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586910730 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(=CC[C@@H]6[C@H]7CCC(=O)[C@@]7(C)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2cc1Br ZINC000586910731 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CC(=O)OC4(C)C)[nH]c3cc21 ZINC000586910764 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CC(=O)OC4(C)C)[nH]c3cc21 ZINC000586910768 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CC(=O)OC3(C)C)[nH]c21 ZINC000586910774 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CC(=O)OC3(C)C)[nH]c21 ZINC000586910775 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3cc21 ZINC000586910792 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3cc21 ZINC000586910797 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCOC3)[nH]c21 ZINC000586910934 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCOC3)[nH]c21 ZINC000586910935 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2c1 ZINC000586911063 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2c1 ZINC000586911064 KK Annotated Mild C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911249 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911252 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911255 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(OC(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911257 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Cl)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911281 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Cl)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911283 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Cl)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911286 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(C(F)(F)F)cc(Cl)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586911288 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCCCCC#CCO[C@H]3CCCCO3)[nH]c2cc1Br ZINC000586911450 KK Annotated Mild CCCCCCCCOc1cc2nc(CCCCCC#CCO[C@@H]3CCCCO3)[nH]c2cc1Br ZINC000586911451 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCCC#CCO[C@@H]4CCCCO4)[nH]c3cc21 ZINC000586911485 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCCC#CCO[C@H]4CCCCO4)[nH]c3cc21 ZINC000586911487 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4COCCO4)[nH]c3cc21 ZINC000586911504 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4COCCO4)[nH]c3cc21 ZINC000586911508 KK Annotated Clean CC1(C)COc2c(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc21 ZINC000586911559 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc5c4OCC5(C)C)[nH]c3cc21 ZINC000586911595 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCOC4)[nH]c3cc21 ZINC000586911604 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCOC4)[nH]c3cc21 ZINC000586911606 KK Annotated Clean CCCCCCCCOc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br ZINC000586912031 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc4c3OCC4(C)C)[nH]c21 ZINC000586912037 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@@H]4O)[nH]c3c2)cc1 ZINC000586912174 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@H]4O)[nH]c3c2)cc1 ZINC000586912178 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3c2)cc1 ZINC000586912179 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)C(=CC[C@@H]7[C@H]8CCC(=O)[C@@]8(C)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@H]4O)[nH]c3c2)cc1 ZINC000586912180 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(OCc8ccccc8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912201 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(OCc8ccccc8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912202 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(OCc8ccccc8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912203 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(OCc8ccccc8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912206 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc5c4OCC5(C)C)[nH]c3cc21 ZINC000586912514 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4=COCC4)[nH]c3cc21 ZINC000586912582 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912607 KK Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912609 KK Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912610 KK Annotated Bother C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586912612 KK Annotated Bother O=C(O)c1cc2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586912663 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(O)CCOCC3)[nH]c21 ZINC000586912672 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H]([C@H](C)O)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@H]3O)[nH]c2c1 ZINC000586912826 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H]([C@H](C)O)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@H]3O)[nH]c2c1 ZINC000586912832 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H]([C@H](C)O)CC[C@H]65)C4)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2c1 ZINC000586912834 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H]([C@H](C)O)CC[C@H]65)C4)[C@H](O)[C@H](O)[C@@H]3O)[nH]c2c1 ZINC000586912840 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 ZINC000586913105 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c21 ZINC000586913142 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(O)CCOCC4)[nH]c3cc21 ZINC000586913182 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)C3CCOCC3)[nH]c21 ZINC000586913213 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)C3CCOCC3)[nH]c21 ZINC000586913217 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccc(Cl)cc8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913313 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccc(Cl)cc8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913314 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccc(Cl)cc8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913316 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(=O)(=O)Nc8ccc(Cl)cc8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913319 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(-c8nc9ccccc9s8)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913329 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(-c8nc9ccccc9s8)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913338 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(-c8nc9ccccc9s8)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913339 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(-c8nc9ccccc9s8)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913340 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)C4CCOCC4)[nH]c3cc21 ZINC000586913468 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)C4CCOCC4)[nH]c3cc21 ZINC000586913469 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3cc21 ZINC000586913546 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3=COCC3)[nH]c21 ZINC000586913621 KK Annotated Clean C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913626 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913631 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913635 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(F)c(C(F)(F)F)c8)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O ZINC000586913639 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@H]7[C@H]6CC[C@]6(C)[C@H]([C@H](C)O)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913688 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@H]7[C@H]6CC[C@]6(C)[C@H]([C@H](C)O)CC[C@H]76)C5)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913696 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@H]7[C@H]6CC[C@]6(C)[C@H]([C@H](C)O)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913697 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@H]7[C@H]6CC[C@]6(C)[C@H]([C@H](C)O)CC[C@H]76)C5)[C@H](O)[C@H](O)[C@@H]4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586913698 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(O)cc5)CCOCC4)[nH]c3cc21 ZINC000586913910 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914308 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914320 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914321 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cccc(C(=O)Nc8ccc(C(F)(F)F)cc8)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914323 KK Annotated Anodyne C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914410 KK Annotated Bother C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914414 KK Annotated Bother C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914415 KK Annotated Bother C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(-c8c9ccc(=O)cc-9oc9cc(O)ccc89)c(C(=O)O)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000586914416 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c21 ZINC000586914453 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)[nH]c3cc21 ZINC000586914486 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)[nH]c3cc21 ZINC000586914592 KK Annotated Anodyne CC[C@H]1OCCC[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586914676 KK Annotated Anodyne CC[C@@H]1OCCC[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586914677 KK Annotated Anodyne CC[C@@H]1OCCC[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586914678 KK Annotated Anodyne CC[C@H]1OCCC[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586914679 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1Br ZINC000586914993 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc1-2 ZINC000586915219 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CC4(COC4)C3)[nH]c21 ZINC000586915308 KK Annotated Clean COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586915768 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586915769 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586915770 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586915771 KK Annotated Anodyne Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586916005 KK Annotated Reactive COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586916709 KK Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586916710 KK Annotated Reactive COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586916712 KK Annotated Reactive COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586916715 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c21 ZINC000586916768 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c21 ZINC000586916771 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c21 ZINC000586916773 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c21 ZINC000586916774 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3cc21 ZINC000586916831 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916873 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916881 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916883 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@@]34CCOc3ccc(OC)cc34)[nH]c2cc1Br ZINC000586916886 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3cc21 ZINC000586916894 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Br)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586916905 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586916942 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)nc2c1 ZINC000586916944 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586916952 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586916954 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586916957 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586916958 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586916963 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=O)Nc5ccc(CN6CCN(C)CC6)cc5)cc4[nH]3)c(=O)oc2c1C ZINC000586916997 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4c(C)c5ccc(OCC=C(C)C)c(C)c5oc4=O)[nH]c3c2)cc1 ZINC000586917025 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Br)ccc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917032 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Cl)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917060 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C ZINC000586917068 KK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586917077 KK Annotated Reactive CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(=O)oc2c1C ZINC000586917079 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586917088 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(I)cnc4[nH]3)c(=O)oc2c1C ZINC000586917092 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c(=O)oc2c1C ZINC000586917093 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586917103 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4c(C)c5ccc(OCC=C(C)C)c(C)c5oc4=O)[nH]c3cc21 ZINC000586917105 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c(=O)oc2c1C ZINC000586917108 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586917116 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4c(C)c5ccc(OCC=C(C)C)c(C)c5oc4=O)[nH]c3cc21 ZINC000586917139 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4COc5ccccc5O4)[nH]c3cc21 ZINC000586917161 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H](C)CCO3)[nH]c21 ZINC000586917302 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@]45CCOc4ccc(OC)cc45)[nH]c3cc21 ZINC000586917347 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@]45CCOc4ccc(OC)cc45)[nH]c3cc21 ZINC000586917349 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@]45CCOc4ccc(OC)cc45)[nH]c3cc21 ZINC000586917351 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@]45CCOc4ccc(OC)cc45)[nH]c3cc21 ZINC000586917352 KK Annotated Clean CCCCc1cc(=O)oc2cc(OCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)ccc12 ZINC000586917383 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3COc4ccccc4O3)[nH]c21 ZINC000586917426 KK Annotated Clean CCCCc1cc(=O)oc2cc(OCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)ccc12 ZINC000586917434 KK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c(=O)oc2c1C ZINC000586917448 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(=O)oc2c1C ZINC000586917458 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c(=O)oc2c1C ZINC000586917470 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3O[C@H]3C)[nH]c21 ZINC000586917604 KK Annotated Clean COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586917635 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(I)cc4[nH]3)c(=O)oc2c1C ZINC000586917638 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586917639 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586917640 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586917642 KK Annotated Anodyne COC(=O)c1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586917647 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586917680 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4c(C)c5ccc(OC)c(C)c5oc4=O)[nH]c3cc21 ZINC000586917726 KK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)nc2c1 ZINC000586917732 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586917740 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CC5(COC5)C4)[nH]c3cc21 ZINC000586917758 KK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586917767 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586917770 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc4oc(=O)ccc4c3)nc21 ZINC000586917795 KK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586917799 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c21 ZINC000586917807 KK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(I)cnc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586917809 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(I)c4[nH]3)c(=O)oc2c1C ZINC000586917813 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586917817 KK Annotated Anodyne CCCOc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586917821 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4O[C@H]4C)[nH]c3cc21 ZINC000586917938 KK Annotated Clean COc1ccc2c(C)c(CCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586917967 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586918005 KK Annotated Bother COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586918014 KK Annotated Bother COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586918016 KK Annotated Bother CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)ccc12 ZINC000586918017 KK Annotated Clean COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586918018 KK Annotated Bother COc1ccc2c(C)c(CCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(=O)oc2c1C ZINC000586918076 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918116 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918206 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586918235 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3cc21 ZINC000586918241 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918245 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(=O)oc2c1C ZINC000586918278 KK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Cl)c(Br)cnc4[nH]3)c(=O)oc2c1C ZINC000586918297 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918309 KK Annotated Anodyne CCCCOc1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586918310 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918311 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586918320 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918322 KK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)ccc12 ZINC000586918497 KK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)ccc12 ZINC000586918506 KK Annotated Clean CCCCc1cc(=O)oc2cc(OCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)ccc12 ZINC000586918512 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918538 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c(=O)oc2c1C ZINC000586918564 KK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)ccc12 ZINC000586918572 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3COc4ccccc4O3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586918573 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c21 ZINC000586918608 KK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4c(Br)cnc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918642 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5c(C)c6ccc(OCC=C(C)C)c(C)c6oc5=O)[nH]c4c3)o2)cc1 ZINC000586918660 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918667 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586918700 KK Annotated Mild COc1ccc2c(C)c(CCc3nc4c(Br)ccc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918719 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(=O)oc2c1C ZINC000586918756 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc(Cl)c4[nH]3)c(=O)oc2c1C ZINC000586918760 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(Br)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586918784 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(=O)oc2c1C ZINC000586918786 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)cc(C(=O)O)c4[nH]3)c(=O)oc2c1C ZINC000586918795 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4c(C)c5ccc(OCC=C(C)C)c(C)c5oc4=O)[nH]c3c2)cc1 ZINC000586918800 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(=O)oc2c1C ZINC000586918854 KK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586918927 KK Annotated Reactive CCCCCOc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1Br ZINC000586918932 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc5oc(=O)ccc5c4)nc3cc21 ZINC000586918956 KK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)c(=O)oc2c1C ZINC000586918993 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c1 ZINC000586918995 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4COc5ccccc5O4)[nH]c3cc21 ZINC000586918999 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(Br)c(F)c(F)c4[nH]3)c(=O)oc2c1C ZINC000586919024 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc4oc(=O)ccc4c3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586919041 KK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(=O)oc2c1C ZINC000586919048 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c(=O)oc2c1C ZINC000586919050 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(=O)oc2c1C ZINC000586919052 KK Annotated Clean CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(=O)oc2c1C ZINC000586919061 KK Annotated Bother CC(C)=CCOc1ccc2c(C)c(Cc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(=O)oc2c1C ZINC000586919064 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3c(C)c4ccc(OCC=C(C)C)c(C)c4oc3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586919071 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(=O)oc2c1C ZINC000586919073 KK Annotated Anodyne CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c(=O)oc2c1C ZINC000586919074 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586919122 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586919136 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cnc2[nH]1)C(C)C ZINC000586919151 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cnc2[nH]1)C(C)C ZINC000586919155 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cnc2[nH]1)C(C)C ZINC000586919156 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cnc2[nH]1)C(C)C ZINC000586919159 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCc5c(C)c6ccc(OC)c(C)c6oc5=O)[nH]c4c3)o2)cc1 ZINC000586919160 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919161 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919167 KK Annotated Bother CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919169 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919171 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586919181 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 ZINC000586919183 KK Annotated Reactive CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C ZINC000586919185 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C ZINC000586919188 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C ZINC000586919189 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)ncc2[nH]1)C(C)C ZINC000586919190 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586919191 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586919197 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586919212 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(OC)c3[nH]2)cc1 ZINC000586919236 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919240 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919243 KK Annotated Mild CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919244 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919246 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586919252 KK Annotated Anodyne COc1ccc2c(C)c(CCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c(=O)oc2c1C ZINC000586919257 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1)C(C)C ZINC000586919260 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1)C(C)C ZINC000586919263 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1)C(C)C ZINC000586919265 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1)C(C)C ZINC000586919266 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C ZINC000586919268 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C ZINC000586919273 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C ZINC000586919274 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1)C(C)C ZINC000586919276 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586919278 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000586919284 KK Annotated Anodyne C=CCc1cccc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586919289 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(C)C ZINC000586919291 KK Annotated Anodyne CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)ccc12 ZINC000586919295 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(C)C ZINC000586919296 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(C)C ZINC000586919297 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(C)C ZINC000586919298 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586919299 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C)nc3[nH]2)cc1 ZINC000586919300 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(O)nc(N)nc3[nH]2)cc1 ZINC000586919303 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919306 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919308 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919309 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919312 KK Annotated Anodyne C=CCc1cccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c12 ZINC000586919313 KK Annotated Mild C=CCc1cccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c12 ZINC000586919314 KK Annotated Mild COc1ccc2c(C)c(CCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C ZINC000586919315 KK Annotated Reactive C=CCc1cccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c12 ZINC000586919316 KK Annotated Mild C=CCc1cccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c12 ZINC000586919317 KK Annotated Mild COc1ccc2c(C)c(CCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(=O)oc2c1C ZINC000586919321 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586919325 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586919328 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586919329 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(C)C ZINC000586919330 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(=O)OC)cc(Cl)c3[nH]2)cc1 ZINC000586919331 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586919332 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919333 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919334 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919335 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919336 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586919337 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586919338 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586919339 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cnc2[nH]1)C(C)C ZINC000586919340 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cnc2[nH]1)C(C)C ZINC000586919341 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cnc2[nH]1)C(C)C ZINC000586919342 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cnc2[nH]1)C(C)C ZINC000586919343 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586919344 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586919345 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1)C(C)C ZINC000586919346 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1)C(C)C ZINC000586919347 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1)C(C)C ZINC000586919348 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1)C(C)C ZINC000586919349 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(C)C ZINC000586919350 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(C)C ZINC000586919351 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1)C(C)C ZINC000586919352 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(C)C ZINC000586919353 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Cl)c2[nH]1)C(C)C ZINC000586919354 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Cl)c2[nH]1)C(C)C ZINC000586919355 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Cl)c2[nH]1)C(C)C ZINC000586919356 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Cl)c2[nH]1)C(C)C ZINC000586919357 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C ZINC000586919362 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C ZINC000586919363 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C ZINC000586919364 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C ZINC000586919365 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cnc2[nH]1)C(C)C ZINC000586919370 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cnc2[nH]1)C(C)C ZINC000586919371 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cnc2[nH]1)C(C)C ZINC000586919372 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cnc2[nH]1)C(C)C ZINC000586919373 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586919374 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586919379 KK Annotated Clean CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(O)c3[nH]2)cc1 ZINC000586919380 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586919381 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1)C(C)C ZINC000586919382 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1)C(C)C ZINC000586919383 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1)C(C)C ZINC000586919384 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)c(C)c2[nH]1)C(C)C ZINC000586919385 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586919386 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586919387 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C ZINC000586919388 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C ZINC000586919389 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C ZINC000586919390 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(C)C ZINC000586919391 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919392 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919393 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919394 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919395 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 ZINC000586919396 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)nc2c1 ZINC000586919402 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)nc2c1 ZINC000586919403 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)nc2c1 ZINC000586919404 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)nc2c1 ZINC000586919405 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C ZINC000586919406 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C ZINC000586919407 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C ZINC000586919408 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(C)C ZINC000586919409 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(O)nc(O)nc3[nH]2)cc1 ZINC000586919410 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586919423 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586919424 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586919425 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C ZINC000586919430 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C ZINC000586919431 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C ZINC000586919432 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)OC)c2[nH]1)C(C)C ZINC000586919433 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C ZINC000586919434 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C ZINC000586919435 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C ZINC000586919436 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(C)C ZINC000586919437 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586919438 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000586919439 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000586919440 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000586919441 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(I)cnc2[nH]1)C(C)C ZINC000586919442 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 ZINC000586919443 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586919449 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586919450 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586919451 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(N)=O)c3[nH]2)cc1 ZINC000586919452 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919457 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919458 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919459 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919460 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919461 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919462 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919463 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919464 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586919469 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000586919475 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586919476 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586919477 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586919478 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C ZINC000586919483 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C ZINC000586919484 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C ZINC000586919485 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])cnc2[nH]1)C(C)C ZINC000586919486 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586919487 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000586919492 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1)C(C)C ZINC000586919493 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1)C(C)C ZINC000586919494 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1)C(C)C ZINC000586919495 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1)C(C)C ZINC000586919496 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1)C(C)C ZINC000586919497 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1)C(C)C ZINC000586919498 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1)C(C)C ZINC000586919499 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cnc2[nH]1)C(C)C ZINC000586919500 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(=O)OC)ncc3[nH]2)cc1 ZINC000586919501 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586919502 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586919503 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586919508 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586919509 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586919510 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586919511 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C ZINC000586919520 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C ZINC000586919521 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C ZINC000586919522 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C(=O)OC)ccnc2[nH]1)C(C)C ZINC000586919523 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586919524 KK Annotated Reactive CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)C ZINC000586919525 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)C ZINC000586919526 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)C ZINC000586919527 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-n3cnnn3)cc2[nH]1)C(C)C ZINC000586919528 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C ZINC000586919529 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C ZINC000586919530 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C ZINC000586919531 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(C)C ZINC000586919532 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586919537 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586919538 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586919539 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000586919540 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)C ZINC000586919541 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)C ZINC000586919542 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)C ZINC000586919543 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(C)C ZINC000586919544 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(F)c3[nH]2)cc1 ZINC000586919545 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919546 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919547 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919548 KK Annotated Anodyne CSc1sc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919559 KK Annotated Anodyne CSc1sc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919567 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919585 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919592 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919594 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919596 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919597 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586919598 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C ZINC000586919599 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C ZINC000586919601 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C ZINC000586919602 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1)C(C)C ZINC000586919604 KK Annotated Bother COC(=O)c1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586919606 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919608 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919609 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919610 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586919611 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586919623 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586919630 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(Br)c2[nH]1)C(C)C ZINC000586919633 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(Br)c2[nH]1)C(C)C ZINC000586919634 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(Br)c2[nH]1)C(C)C ZINC000586919636 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(Br)c2[nH]1)C(C)C ZINC000586919637 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586919638 KK Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586919639 KK Annotated Reactive CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000586919646 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000586919648 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000586919649 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919650 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(C)C ZINC000586919651 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586919652 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586919653 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)ncc2[nH]1)C(C)C ZINC000586919655 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000586919656 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)ncc2[nH]1)C(C)C ZINC000586919657 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)ncc2[nH]1)C(C)C ZINC000586919658 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)ncc2[nH]1)C(C)C ZINC000586919659 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586919674 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C ZINC000586919676 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C ZINC000586919678 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C ZINC000586919680 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1)C(C)C ZINC000586919682 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C ZINC000586919683 KK Annotated Reactive CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C ZINC000586919687 KK Annotated Reactive CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C ZINC000586919688 KK Annotated Reactive CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C ZINC000586919690 KK Annotated Reactive CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CCO)cc2[nH]1)C(C)C ZINC000586919691 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CCO)cc2[nH]1)C(C)C ZINC000586919696 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CCO)cc2[nH]1)C(C)C ZINC000586919698 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CCO)cc2[nH]1)C(C)C ZINC000586919699 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Br)c2[nH]1)C(C)C ZINC000586919700 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Br)c2[nH]1)C(C)C ZINC000586919702 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Br)c2[nH]1)C(C)C ZINC000586919704 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(Br)c2[nH]1)C(C)C ZINC000586919705 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3)C(C)C ZINC000586919706 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3)C(C)C ZINC000586919707 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3)C(C)C ZINC000586919708 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3)C(C)C ZINC000586919710 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000586919711 KK Annotated Clean CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(N)c3[nH]2)cc1 ZINC000586919712 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(C)C ZINC000586919714 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(C)C ZINC000586919717 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(C)C ZINC000586919718 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(C)C ZINC000586919719 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586919720 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)c(F)cc3[nH]2)cc1 ZINC000586919721 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(N)=O)cc3[nH]2)cc1 ZINC000586919722 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586919727 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586919728 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C ZINC000586919729 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C ZINC000586919730 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C ZINC000586919732 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C ZINC000586919733 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586919735 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919744 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919764 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586919779 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586919783 KK Annotated Mild CCCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1Br ZINC000586919784 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000586919788 KK Annotated Clean CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586919792 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586919794 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919796 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919798 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919801 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586919803 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1 ZINC000586919805 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(N)ccnc3[nH]2)cc1 ZINC000586919811 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586919814 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc(SC)c(S(=O)(=O)C(C)C)c4Cl)[nH]c3c2)cc1 ZINC000586919817 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586919823 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919825 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919826 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919828 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(C)C ZINC000586919829 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C ZINC000586919830 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C ZINC000586919831 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919832 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C ZINC000586919833 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(C)C ZINC000586919834 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586919835 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586919838 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000586919839 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586919843 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919844 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919845 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919846 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C ZINC000586919847 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586919848 KK Annotated Reactive CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586919850 KK Annotated Reactive CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586919853 KK Annotated Reactive CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586919854 KK Annotated Reactive CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1)C(C)C ZINC000586919856 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586919858 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1)C(C)C ZINC000586919859 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1)C(C)C ZINC000586919861 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1)C(C)C ZINC000586919862 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)OC)nc3[nH]2)cc1 ZINC000586919863 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C)cc3[nH]2)cc1 ZINC000586919872 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1)C(C)C ZINC000586919876 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1)C(C)C ZINC000586919881 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1)C(C)C ZINC000586919882 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1)C(C)C ZINC000586919884 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586919893 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586919899 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C ZINC000586919905 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C ZINC000586919907 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C ZINC000586919909 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1)C(C)C ZINC000586919910 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586919912 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919922 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919924 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919926 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)cc2[nH]1)C(C)C ZINC000586919927 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586919929 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586919930 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919941 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919944 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919945 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586919946 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1)C(C)C ZINC000586919954 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1)C(C)C ZINC000586919956 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1)C(C)C ZINC000586919959 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnc3ccccc3c2[nH]1)C(C)C ZINC000586919960 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(OC)c2[nH]1)C(C)C ZINC000586919962 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(OC)c2[nH]1)C(C)C ZINC000586919964 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 ZINC000586919982 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c21 ZINC000586919993 KK Annotated Clean CCCCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1Br ZINC000586920054 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920057 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(SC)c(S(=O)(=O)C(C)C)c5Cl)[nH]c4c3)o2)cc1 ZINC000586920062 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)nc2c1 ZINC000586920071 KK Annotated Anodyne CSc1sc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920073 KK Annotated Anodyne CSc1sc(-c2nc3ccc(I)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920077 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920080 KK Annotated Anodyne CSc1sc(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920084 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(OC)c2[nH]1)C(C)C ZINC000586920085 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cncc(OC)c2[nH]1)C(C)C ZINC000586920087 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920088 KK Annotated Anodyne CCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1Br ZINC000586920090 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cc(Br)c2[nH]1)C(C)C ZINC000586920091 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cc(Br)c2[nH]1)C(C)C ZINC000586920093 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cc(Br)c2[nH]1)C(C)C ZINC000586920095 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)cc(Br)c2[nH]1)C(C)C ZINC000586920096 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586920098 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C ZINC000586920100 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C ZINC000586920101 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C ZINC000586920103 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(C)C ZINC000586920105 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000586920106 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586920112 KK Annotated Anodyne CSc1sc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920134 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3)C(C)C ZINC000586920139 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3)C(C)C ZINC000586920140 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3)C(C)C ZINC000586920142 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3)C(C)C ZINC000586920144 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586920146 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586920151 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586920152 KK Annotated Bother CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586920154 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586920162 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586920166 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586920168 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586920170 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920190 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C ZINC000586920195 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C ZINC000586920200 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920203 KK Annotated Bother CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C ZINC000586920204 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1)C(C)C ZINC000586920205 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920206 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920208 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920210 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920212 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)C(C)C ZINC000586920213 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)C(C)C ZINC000586920215 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)C(C)C ZINC000586920217 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1)C(C)C ZINC000586920220 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920221 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586920222 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586920225 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586920236 KK Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920237 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920241 KK Annotated Anodyne CSc1sc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920258 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586920260 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc1 ZINC000586920263 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(C)C ZINC000586920274 KK Annotated Bother CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(C)C ZINC000586920276 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(C)C ZINC000586920277 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(C)C ZINC000586920279 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586920305 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000586920307 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(OC)c3[nH]2)cc1 ZINC000586920309 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1)C(C)C ZINC000586920310 KK Annotated Mild CCCCCCCCOc1cc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2cc1Br ZINC000586920314 KK Annotated Mild O=C(O)c1cc2[nH]c(CCS(=O)(=O)c3ccc4c(c3)CCC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586920315 KK Annotated Bother COc1ccc(S(=O)(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586920342 KK Annotated Reactive CSc1sc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920372 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c21 ZINC000586920420 KK Annotated Clean CSc1sc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920423 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920424 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c21 ZINC000586920428 KK Annotated Clean CSc1sc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920432 KK Annotated Bother CSc1sc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920452 KK Annotated Anodyne O=S(=O)(CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920454 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920455 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3cc21 ZINC000586920471 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2c1 ZINC000586920472 KK Annotated Anodyne CSc1sc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920477 KK Annotated Clean CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1)C(C)C ZINC000586920501 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1)C(C)C ZINC000586920503 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)c(C#N)cc2[nH]1)C(C)C ZINC000586920504 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000586920530 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000586920533 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000586920534 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C ZINC000586920536 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920541 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920543 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920544 KK Annotated Bother CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920546 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586920547 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000586920549 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586920551 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586920554 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586920557 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C ZINC000586920558 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C ZINC000586920562 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C ZINC000586920564 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(C)C ZINC000586920566 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)C ZINC000586920569 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)C ZINC000586920571 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)C ZINC000586920572 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1)C(C)C ZINC000586920574 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sc(SC)c(S(=O)(=O)C(C)C)c4Cl)[nH]c3c2)cc1 ZINC000586920580 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1)C(C)C ZINC000586920591 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1)C(C)C ZINC000586920592 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1)C(C)C ZINC000586920594 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)nc2c1 ZINC000586920596 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3ncccc3c2[nH]1)C(C)C ZINC000586920598 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586920599 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586920604 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586920606 KK Annotated Anodyne CSc1sc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920607 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586920608 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586920610 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(C)C ZINC000586920612 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(C)C ZINC000586920615 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(C)C ZINC000586920618 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(C)C ZINC000586920620 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(C)C ZINC000586920622 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(C)C ZINC000586920627 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(C)C ZINC000586920628 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(C)C ZINC000586920630 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586920631 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586920632 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(OC)c3[nH]2)cc1 ZINC000586920635 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586920636 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586920641 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1)C(C)C ZINC000586920646 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1)C(C)C ZINC000586920647 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1)C(C)C ZINC000586920648 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1)C(C)C ZINC000586920650 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586920651 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586920655 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586920656 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C ZINC000586920657 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 ZINC000586920664 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C ZINC000586920667 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C ZINC000586920670 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C ZINC000586920671 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)cc(OC)c2[nH]1)C(C)C ZINC000586920672 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000586920673 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000586920674 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000586920675 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC000586920676 KK Annotated Mild CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)C ZINC000586920677 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)C ZINC000586920678 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)C ZINC000586920679 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(C)C ZINC000586920680 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586920681 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)cc3[nH]2)cc1 ZINC000586920682 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1 ZINC000586920683 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586920684 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586920685 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586920690 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586920691 KK Annotated Anodyne CSc1sc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920696 KK Annotated Reactive CSc1sc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920704 KK Annotated Anodyne CSc1sc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920711 KK Annotated Anodyne CSc1sc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920715 KK Annotated Anodyne CSc1sc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920718 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920728 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(SC)c(S(=O)(=O)C(C)C)c4Cl)[nH]c3cc21 ZINC000586920741 KK Annotated Clean CSc1sc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920751 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3Cl)[nH]c2cc1Br ZINC000586920760 KK Annotated Mild CSc1sc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920772 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920774 KK Annotated Anodyne CSc1sc(-c2nc3cccc(I)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C ZINC000586920797 KK Annotated Anodyne O=S(=O)(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 ZINC000586920862 KK Annotated Reactive CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1)C(C)C ZINC000586920894 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1)C(C)C ZINC000586920895 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1)C(C)C ZINC000586920896 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(C)c(Br)cnc2[nH]1)C(C)C ZINC000586920897 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)C ZINC000586920898 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)C ZINC000586920899 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)C ZINC000586920900 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1)C(C)C ZINC000586920901 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnccc3[nH]2)cc1 ZINC000586920902 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920903 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920904 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920905 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000586920906 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1)C(C)C ZINC000586920907 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1)C(C)C ZINC000586920908 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1)C(C)C ZINC000586920909 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1)C(C)C ZINC000586920910 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586920915 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OC)nc3[nH]2)cc1 ZINC000586920916 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586920917 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C ZINC000586920918 KK Annotated Clean CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C ZINC000586920919 KK Annotated Clean CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C ZINC000586920920 KK Annotated Clean CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C ZINC000586920921 KK Annotated Clean CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000586920922 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)C ZINC000586920923 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)C ZINC000586920924 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)C ZINC000586920925 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)C ZINC000586920926 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920927 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920928 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920929 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586920930 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000586920931 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1)C(C)C ZINC000586920932 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1)C(C)C ZINC000586920933 KK Annotated Mild CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1)C(C)C ZINC000586920934 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1)C(C)C ZINC000586920935 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)C ZINC000586920936 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)C ZINC000586920938 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)C ZINC000586920941 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1)C(C)C ZINC000586920942 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586920943 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586920945 KK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccccc1 ZINC000586920946 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C ZINC000586920947 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C ZINC000586920948 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C ZINC000586920949 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(C)C ZINC000586920950 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586920951 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 ZINC000586920953 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c[nH]c(=N)[nH]c-3n2)cc1 ZINC000586920963 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)C ZINC000586920966 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)C ZINC000586920968 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)C ZINC000586920969 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(C)C ZINC000586920970 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586920972 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(OC)c2[nH]1)C(C)C ZINC000586920974 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(OC)c2[nH]1)C(C)C ZINC000586920975 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(OC)c2[nH]1)C(C)C ZINC000586920976 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccnc(OC)c2[nH]1)C(C)C ZINC000586920977 KK Annotated Anodyne CCCOc1cc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586920978 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(I)cc3[nH]2)cc1 ZINC000586920982 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586920986 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586920989 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1)C(C)C ZINC000586920996 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1)C(C)C ZINC000586920997 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1)C(C)C ZINC000586920999 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)ncc2[nH]1)C(C)C ZINC000586921001 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586921003 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(C)C ZINC000586921004 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(C)C ZINC000586921005 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(C)C ZINC000586921007 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(C)C ZINC000586921010 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586921013 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586921015 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586921016 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586921017 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586921018 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3)C(C)C ZINC000586921024 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3)C(C)C ZINC000586921029 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3)C(C)C ZINC000586921032 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3)C(C)C ZINC000586921034 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000586921042 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)c4ccc(OC)cc4)[nH]c3cc21 ZINC000586921146 KK Annotated Clean CCCCCCCCOc1cc2nc(CS(=O)(=O)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000586921148 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586921153 KK Annotated Mild CCS(=O)(=O)c1cccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000586921193 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921197 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(O)nc(S)nc3[nH]2)cc1 ZINC000586921200 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921203 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921204 KK Annotated Anodyne Cc1cncc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586921205 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 ZINC000586921206 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921207 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586921210 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1 ZINC000586921212 KK Annotated Anodyne Cc1ccnc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586921213 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586921215 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)cc1 ZINC000586921217 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921218 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586921220 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586921228 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1)C(C)C ZINC000586921232 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1)C(C)C ZINC000586921233 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1)C(C)C ZINC000586921234 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1)C(C)C ZINC000586921235 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000586921236 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921237 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921238 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921239 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921240 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586921242 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1)C(C)C ZINC000586921246 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1)C(C)C ZINC000586921247 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1)C(C)C ZINC000586921248 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)c(Cl)cc2[nH]1)C(C)C ZINC000586921249 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586921250 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000586921252 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586921253 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921254 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1)C(C)C ZINC000586921255 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1)C(C)C ZINC000586921257 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1)C(C)C ZINC000586921258 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OCCN(C)C)cc2[nH]1)C(C)C ZINC000586921259 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586921260 KK Annotated Reactive O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921261 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000586921262 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncnc3[nH]2)cc1 ZINC000586921264 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586921266 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586921267 KK Annotated Bother CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1)C(C)C ZINC000586921273 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1)C(C)C ZINC000586921274 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1)C(C)C ZINC000586921275 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)c(C)nc2[nH]1)C(C)C ZINC000586921276 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C ZINC000586921277 KK Annotated Clean O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921278 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C ZINC000586921281 KK Annotated Clean CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C ZINC000586921282 KK Annotated Clean CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(C)C ZINC000586921283 KK Annotated Clean CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(C)C ZINC000586921284 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(C)C ZINC000586921285 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586921286 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(C)C ZINC000586921287 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(C)C ZINC000586921288 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921290 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921295 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586921297 KK Annotated Clean CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586921298 KK Annotated Mild O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921299 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000586921300 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921302 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586921305 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586921310 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586921312 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1 ZINC000586921320 KK Annotated Mild O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cnncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921321 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586921323 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000586921324 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C ZINC000586921325 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C ZINC000586921326 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C ZINC000586921329 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(C)C ZINC000586921330 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921331 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 ZINC000586921334 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586921339 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586921343 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586921350 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C ZINC000586921360 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C ZINC000586921361 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921362 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C ZINC000586921363 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1)C(C)C ZINC000586921365 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586921374 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)C ZINC000586921375 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921376 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586921379 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)C ZINC000586921381 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)C ZINC000586921382 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(C)C ZINC000586921383 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586921386 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921388 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586921392 KK Annotated Mild O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921398 KK Annotated Anodyne Cc1nccc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586921406 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921408 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921410 KK Annotated Anodyne COc1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586921430 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4CS(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586921443 KK Annotated Clean O=S(=O)(Cc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586921461 KK Annotated Reactive CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(O)ncnc3[nH]2)cc1 ZINC000586921462 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921467 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921468 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586921469 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921471 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccnc3[nH]2)cc1 ZINC000586921472 KK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1)c1ccccc1 ZINC000586921516 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)nc1-2 ZINC000586921525 KK Annotated Anodyne CCS(=O)(=O)c1ccccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586921540 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586921594 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586921595 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586921596 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586921597 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 ZINC000586921598 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1 ZINC000586921599 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C ZINC000586921600 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C ZINC000586921601 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C ZINC000586921602 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1)C(C)C ZINC000586921603 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)C(C)C ZINC000586921604 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)C(C)C ZINC000586921605 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)C(C)C ZINC000586921606 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)C(C)C ZINC000586921607 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000586921608 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000586921609 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000586921610 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C ZINC000586921611 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cc(F)c3[nH]2)cc1 ZINC000586921612 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921613 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921614 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921615 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1)C(C)C ZINC000586921616 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586921617 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586921618 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C ZINC000586921619 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C ZINC000586921620 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C ZINC000586921621 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(C)C ZINC000586921622 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586921623 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586921628 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1)C(C)C ZINC000586921629 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1)C(C)C ZINC000586921630 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1)C(C)C ZINC000586921631 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)ccnc2[nH]1)C(C)C ZINC000586921632 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000586921634 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000586921638 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000586921639 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000586921641 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C ZINC000586921642 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C ZINC000586921643 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C ZINC000586921644 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3)C(C)C ZINC000586921645 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(N)ncc3[nH]2)cc1 ZINC000586921646 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586921648 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000586921649 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000586921660 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)c(C)cc3[nH]2)cc1 ZINC000586921670 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586921671 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586921673 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586921674 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586921675 KK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccccc1 ZINC000586921701 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)C ZINC000586921716 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)C ZINC000586921718 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)C ZINC000586921719 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(C)C ZINC000586921722 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586921724 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586921749 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586921752 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1)C(C)C ZINC000586921754 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1)C(C)C ZINC000586921755 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1)C(C)C ZINC000586921756 KK Annotated Anodyne O=S(=O)(Cc1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1)c1ccccc1 ZINC000586921800 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586921837 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921949 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921950 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921952 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921956 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921967 KK Annotated Anodyne N=c1[nH]c2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2c(Cl)[nH]1 ZINC000586921971 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CP(=O)(O)O)[nH]c21 ZINC000586921973 KK Annotated Clean CCS(=O)(=O)c1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586921977 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586921981 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000586921983 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586921986 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586921989 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586921992 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586921997 KK Annotated Clean O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922000 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586922005 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586922011 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922015 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586922018 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922021 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586922029 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922030 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586922031 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922035 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 ZINC000586922038 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000586922040 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586922042 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000586922046 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922049 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922056 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586922060 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586922085 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922086 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1)C(C)C ZINC000586922093 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586922094 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)C ZINC000586922095 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)C ZINC000586922096 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)C ZINC000586922097 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)C ZINC000586922099 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1 ZINC000586922102 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586922108 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586922109 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc1 ZINC000586922111 KK Annotated Anodyne COc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000586922112 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586922113 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586922114 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(C)C ZINC000586922115 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C)c3[nH]2)cc1 ZINC000586922117 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnnc(O)c3[nH]2)cc1 ZINC000586922118 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586922119 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586922121 KK Annotated Anodyne Cc1nc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000586922122 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586922123 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000586922125 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586922127 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)nc3cc2N1 ZINC000586922134 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586922140 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586922141 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000586922142 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586922143 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922145 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586922151 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586922153 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(C)C ZINC000586922154 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586922159 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(N)c(N)cc3[nH]2)cc1 ZINC000586922164 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnnc(O)c2[nH]1)C(C)C ZINC000586922169 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000586922170 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnnc(O)c2[nH]1)C(C)C ZINC000586922171 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnnc(O)c2[nH]1)C(C)C ZINC000586922172 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cnnc(O)c2[nH]1)C(C)C ZINC000586922175 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)nccc3[nH]2)cc1 ZINC000586922179 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2c1 ZINC000586922181 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2c1 ZINC000586922188 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2c1 ZINC000586922191 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2c1 ZINC000586922193 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922196 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000586922209 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000586922217 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000586922218 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)C ZINC000586922222 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586922226 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922235 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C)c2[nH]1)C(C)C ZINC000586922241 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C)c2[nH]1)C(C)C ZINC000586922243 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C)c2[nH]1)C(C)C ZINC000586922245 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Br)cc(C)c2[nH]1)C(C)C ZINC000586922247 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922248 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586922250 KK Annotated Clean CC(C)CCOc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586922252 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(C)C ZINC000586922258 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586922263 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(C)C ZINC000586922265 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(C)C ZINC000586922267 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CP(=O)(O)O)[nH]c3cc21 ZINC000586922268 KK Annotated Clean O=S(=O)(Cc1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccccc1 ZINC000586922270 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(C)C ZINC000586922271 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922273 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCS(=O)(=O)c4ccc5c(c4)CCC5)[nH]c3cc21 ZINC000586922317 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(O)c3[nH]2)cc1 ZINC000586922324 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(I)c3[nH]2)cc1 ZINC000586922332 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C ZINC000586922340 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C ZINC000586922349 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C ZINC000586922353 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(C)C ZINC000586922357 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586922360 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c2cc1Br ZINC000586922471 KK Annotated Mild O=S(=O)(Cc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000586922532 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586922536 KK Annotated Bother CCS(=O)(=O)c1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586922553 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4CS(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586922585 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c21 ZINC000586922600 KK Annotated Clean CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)C ZINC000586922607 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)C ZINC000586922612 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)C ZINC000586922614 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)C ZINC000586922617 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586922620 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(C)C ZINC000586922635 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3S(=O)(=O)CC)[nH]c21 ZINC000586922638 KK Annotated Clean CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(C)C ZINC000586922647 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(C)C ZINC000586922652 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(C)C ZINC000586922655 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586922659 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C#N)c2[nH]1)C(C)C ZINC000586922662 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C#N)c2[nH]1)C(C)C ZINC000586922665 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C#N)c2[nH]1)C(C)C ZINC000586922669 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c21 ZINC000586922670 KK Annotated Clean CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C#N)c2[nH]1)C(C)C ZINC000586922672 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)OC)cc3[nH]2)cc1 ZINC000586922674 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C ZINC000586922687 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C ZINC000586922694 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C ZINC000586922698 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(C)C ZINC000586922700 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnncc3[nH]2)cc1 ZINC000586922716 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586922717 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586922721 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586922725 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(C)C ZINC000586922727 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586922731 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586922740 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000586922748 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1)C(C)C ZINC000586922764 KK Annotated Mild CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1)C(C)C ZINC000586922771 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1)C(C)C ZINC000586922772 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2nc(C#N)c(C#N)nc2[nH]1)C(C)C ZINC000586922774 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586922778 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(S(=O)(=O)CC)c4)[nH]c3cc21 ZINC000586922781 KK Annotated Clean CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C ZINC000586922803 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C ZINC000586922808 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C ZINC000586922809 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)C ZINC000586922810 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C ZINC000586922814 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C ZINC000586922815 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C ZINC000586922816 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1)C(C)C ZINC000586922817 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000586922819 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586922820 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586922823 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@@](=O)(CCCCc3ccccc3)O[C@@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586922825 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H](C4CCCCC4)CN3C(=O)C[P@](=O)(CCCCc3ccccc3)O[C@H](OC(=O)CC)C(C)C)[nH]c2cc1Br ZINC000586922826 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586922830 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 ZINC000586922837 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000586922859 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000586922865 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586922871 KK Annotated Mild CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000586922874 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1 ZINC000586922876 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000586922878 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000586922880 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586922883 KK Annotated Clean O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922885 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000586922888 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC)ncc3[nH]2)cc1 ZINC000586922892 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586922895 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922898 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586922899 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922902 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586922904 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922905 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586922908 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000586922909 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000586922911 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586922913 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586922918 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc1 ZINC000586922920 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586922922 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ncc[nH]c-3n2)cc1 ZINC000586922923 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922924 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)Cc4ccnn4C)[nH]c3cc21 ZINC000586922925 KK Annotated Clean Cc1c(Br)cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000586922933 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000586922939 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](Cc3ccc(P(=O)(OCC)OCC)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586922942 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586922944 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586922945 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586922947 KK Annotated Anodyne Cc1cnc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586922965 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)OCC1c2ccccc2-c2ccccc21 ZINC000586922966 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(S(=O)(=O)Cc4nnc(CC)o4)c3)[nH]c2cc1Br ZINC000586922973 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000586922974 KK Annotated Clean O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922979 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922984 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CO[P@](=O)(O)OCc5ccccc5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000586922987 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586922989 KK Annotated Bother Nc1ccnc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586922993 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586922995 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000586922996 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586922999 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(N)ncnc3[nH]2)cc1 ZINC000586923001 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923004 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586923005 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923006 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586923007 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923011 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923016 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 ZINC000586923018 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923037 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H](CO[P@](=O)(O)OCc5ccccc5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000586923042 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923044 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000586923046 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586923050 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1)C(C)C ZINC000586923070 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1)C(C)C ZINC000586923074 KK Annotated Mild CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1)C(C)C ZINC000586923076 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1)C(C)C ZINC000586923078 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)OC)c3[nH]2)cc1 ZINC000586923091 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586923102 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OC)cc2[nH]1)C(C)C ZINC000586923103 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OC)cc2[nH]1)C(C)C ZINC000586923104 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OC)cc2[nH]1)C(C)C ZINC000586923105 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(OC)cc2[nH]1)C(C)C ZINC000586923106 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586923107 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)C ZINC000586923112 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)C ZINC000586923115 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)C ZINC000586923117 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1)C(C)C ZINC000586923118 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586923132 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(C)c3[nH]2)cc1 ZINC000586923137 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C ZINC000586923139 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C ZINC000586923140 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C ZINC000586923141 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1)C(C)C ZINC000586923142 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586923143 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(C)C ZINC000586923149 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(C)C ZINC000586923151 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(C)C ZINC000586923152 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1)C(C)C ZINC000586923155 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586923158 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586923160 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)ncc2[nH]1)C(C)C ZINC000586923161 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)ncc2[nH]1)C(C)C ZINC000586923162 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)ncc2[nH]1)C(C)C ZINC000586923163 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(OC)ncc2[nH]1)C(C)C ZINC000586923165 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586923166 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(CC)cc3[nH]2)cc1 ZINC000586923174 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)C ZINC000586923176 KK Annotated Bother CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)C ZINC000586923180 KK Annotated Bother CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)C ZINC000586923181 KK Annotated Bother CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(C)C ZINC000586923182 KK Annotated Bother CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc1 ZINC000586923183 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)ccnc2[nH]1)C(C)C ZINC000586923190 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)ccnc2[nH]1)C(C)C ZINC000586923193 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)ccnc2[nH]1)C(C)C ZINC000586923196 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2c(Br)ccnc2[nH]1)C(C)C ZINC000586923198 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586923199 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586923201 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586923202 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(C)C ZINC000586923203 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C(=O)OC)ccnc3[nH]2)cc1 ZINC000586923205 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)c(Br)cc2[nH]1)C(C)C ZINC000586923206 KK Annotated Anodyne CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)c(Br)cc2[nH]1)C(C)C ZINC000586923207 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)c(Br)cc2[nH]1)C(C)C ZINC000586923208 KK Annotated Anodyne CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(C)c(Br)cc2[nH]1)C(C)C ZINC000586923209 KK Annotated Anodyne CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1)C(C)C ZINC000586923210 KK Annotated Mild CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1)C(C)C ZINC000586923214 KK Annotated Mild CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1)C(C)C ZINC000586923215 KK Annotated Mild CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1)C(C)C ZINC000586923216 KK Annotated Mild CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586923218 KK Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)o1 ZINC000586923230 KK Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)o1 ZINC000586923250 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000586923303 KK Annotated Clean COC(=O)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000586923305 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586923308 KK Annotated Anodyne NC(=O)c1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923309 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923311 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](CO[P@](=O)(O)OCc4ccccc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586923312 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586923314 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923315 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923321 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586923324 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923325 KK Annotated Anodyne COc1cncc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923326 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923334 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000586923335 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923336 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586923339 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923342 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923346 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cnccc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923348 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923350 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923351 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586923356 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc1-2 ZINC000586923367 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586923376 KK Annotated Anodyne Nc1nccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923383 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923388 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923389 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923393 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586923395 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923411 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923416 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923420 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586923421 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586923431 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586923440 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923445 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(S(=O)(=O)Cc4nnc(CC)o4)c3)[nH]c2cc1Br ZINC000586923449 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CS(=O)(=O)Cc3ccnn3C)[nH]c21 ZINC000586923451 KK Annotated Clean CCCCCOc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586923453 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 ZINC000586923459 KK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(S(=O)(=O)Cc4nnc(CC)o4)c3)[nH]c2cc1Br ZINC000586923493 KK Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c2)o1 ZINC000586923529 KK Annotated Clean CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)o1 ZINC000586923547 KK Annotated Reactive O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923603 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923606 KK Annotated Bother N#Cc1nc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2nc1C#N ZINC000586923614 KK Annotated Mild O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923615 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586923634 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923638 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923639 KK Annotated Reactive CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](CO[P@](=O)(O)OCc5ccccc5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000586923640 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923641 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000586923642 KK Annotated Anodyne Cc1c(F)ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923643 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923650 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923652 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923654 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923659 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923660 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923661 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923663 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923664 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586923668 KK Annotated Anodyne N#Cc1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923669 KK Annotated Mild N#Cc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586923674 KK Annotated Mild O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923676 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586923682 KK Annotated Mild C=CCc1cccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586923683 KK Annotated Mild O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923685 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586923690 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586923693 KK Annotated Bother O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923695 KK Annotated Anodyne CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(SC)cc3[nH]2)cc1 ZINC000586923701 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923702 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586923703 KK Annotated Anodyne O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586923704 KK Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)o1 ZINC000586923714 KK Annotated Bother CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)o1 ZINC000586923764 KK Annotated Anodyne CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c2)o1 ZINC000586923846 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)C4CCCC4)[nH]c3cc21 ZINC000586924078 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CS(=O)(=O)C3CCCC3)[nH]c21 ZINC000586924168 KK Annotated Clean O=C(O)c1cc2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586924192 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586924193 KK Annotated Bother Cc1c(Br)ccc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586924255 KK Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586924308 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586924338 KK Annotated Unstable CCCCCOc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1Br ZINC000586924351 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586924415 KK Annotated Unstable CCCCCOc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586924429 KK Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586924438 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\S(C)(=O)=O)[nH]c21 ZINC000586924459 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/S(C)(=O)=O)[nH]c21 ZINC000586924470 KK Annotated Clean COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586924471 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586924475 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/S(C)(=O)=O)[nH]c3cc21 ZINC000586924513 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\S(C)(=O)=O)[nH]c3cc21 ZINC000586924514 KK Annotated Clean COc1cc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924600 KK Annotated Unstable CCCCCOc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586924603 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586924625 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586924629 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586924634 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586924644 KK Annotated Clean COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586924678 KK Annotated Unstable COc1cc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586924681 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cc(OC)c(OC)c(S(=O)(=O)Cl)c4)[nH]c3cc21 ZINC000586924724 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586924742 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586924744 KK Annotated Clean COc1cc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(S(=O)(=O)Cl)c1OC ZINC000586924767 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(S(C)(=O)=O)c3)[nH]c21 ZINC000586924779 KK Annotated Clean COC(=O)c1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000586924828 KK Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586924831 KK Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586924860 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586924861 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)[nH]c3cc21 ZINC000586924926 KK Annotated Clean CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000586924937 KK Annotated Bother Cc1cc(Br)cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c12 ZINC000586924943 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 ZINC000586924983 KK Annotated Anodyne CC(C)COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586924990 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1Cl ZINC000586925001 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000586925011 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586925031 KK Annotated Reactive COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586925039 KK Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586925051 KK Annotated Anodyne COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586925054 KK Annotated Unstable CCCCOc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586925065 KK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586925153 KK Annotated Anodyne COc1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925177 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586925191 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1Br ZINC000586925203 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000586925262 KK Annotated Bother COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586925301 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586925309 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586925317 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 ZINC000586925363 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586925369 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586925386 KK Annotated Mild CS(=O)(=O)c1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586925394 KK Annotated Bother COc1cc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925422 KK Annotated Unstable CCCCOc1cc2nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c2cc1Br ZINC000586925441 KK Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)c(S(=O)(=O)Cl)cc5OC)[nH]c4c3)o2)cc1 ZINC000586925463 KK Annotated Unstable O=C(O)c1cc2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586925496 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586925514 KK Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586925524 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586925574 KK Annotated Anodyne CCCCOc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586925594 KK Annotated Unstable COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3c2)cc1 ZINC000586925596 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000586925605 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586925633 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc2c1 ZINC000586925639 KK Annotated Unstable CCCCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586925642 KK Annotated Unstable CCCCOc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586925645 KK Annotated Unstable COc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Cl ZINC000586925653 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586925686 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 ZINC000586925694 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586925703 KK Annotated Unstable COC(=O)c1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)cc1 ZINC000586925704 KK Annotated Unstable CC(C)CCOc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586925706 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c21 ZINC000586925709 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586925716 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586925723 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586925744 KK Annotated Unstable Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)nc1-2 ZINC000586925748 KK Annotated Unstable CCCCCCCCOc1cc2nc(Cc3cc(OC)c(OC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586925751 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000586925761 KK Annotated Unstable COc1cc(Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(S(=O)(=O)Cl)c1OC ZINC000586925768 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)c(S(=O)(=O)Cl)cc3OC)[nH]c21 ZINC000586925783 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1Cl ZINC000586925784 KK Annotated Unstable COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Cl)c(S(=O)(=O)Cl)cc4OC)[nH]c3c2)cc1 ZINC000586925787 KK Annotated Unstable COC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586925788 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)[nH]c3cc21 ZINC000586925808 KK Annotated Clean CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000586925831 KK Annotated Anodyne CCCCCOc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586925855 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Br ZINC000586925860 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c3cc21 ZINC000586925863 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)c(S(=O)(=O)Cl)cc4OC)[nH]c3cc21 ZINC000586925864 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586925885 KK Annotated Unstable Nc1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)cc1 ZINC000586925902 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000586925907 KK Annotated Unstable O=C(O)c1cc(Br)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586925915 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3cc21 ZINC000586925943 KK Annotated Unstable COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586925944 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1Cl ZINC000586925974 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586925976 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000586926017 KK Annotated Unstable CCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586926018 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1Cl ZINC000586926020 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586926022 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586926024 KK Annotated Unstable COC(=O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586926028 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000586926030 KK Annotated Unstable CCCCCOc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586926044 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000586926048 KK Annotated Clean Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Cl ZINC000586926055 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc(F)c(Br)c3[nH]2)CC1 ZINC000586926065 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3cc21 ZINC000586926079 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1Cl ZINC000586926081 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586926084 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC1 ZINC000586926098 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)cc1N ZINC000586926101 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1Cl ZINC000586926105 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3cc21 ZINC000586926119 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1Cl ZINC000586926121 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586926124 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1Cl ZINC000586926138 KK Annotated Unstable CC(C)CCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586926139 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000586926149 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000586926154 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1Cl ZINC000586926161 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000586926165 KK Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1Cl ZINC000586926166 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(F)cc(Br)c3[nH]2)CC1 ZINC000586926200 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586926215 KK Annotated Unstable O=C(c1ccccc1)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926216 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4S(=O)(=O)C4CCN(C(=O)OC(C)(C)C)CC4)[nH]c3cc21 ZINC000586926218 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586926225 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586926242 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000586926246 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c21 ZINC000586926265 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586926266 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c3cc21 ZINC000586926273 KK Annotated Bother CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586926286 KK Annotated Reactive O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000586926293 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Br ZINC000586926318 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586926413 KK Annotated Unstable O=C(O)c1cc2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586926420 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1Cl ZINC000586926459 KK Annotated Unstable O=S(=O)(Cl)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586926494 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 ZINC000586926495 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586926516 KK Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1Cl ZINC000586926549 KK Annotated Unstable CCc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1S(=O)(=O)Cl ZINC000586926572 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586926574 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586926575 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586926576 KK Annotated Unstable CC(C)Oc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586926587 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000586926616 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3ccc(CC)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586926620 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 ZINC000586926648 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1Cl ZINC000586926655 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586926658 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586926669 KK Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(-c5c(Cl)ccc(S(=O)(=O)Cl)c5Cl)[nH]c4c3)o2)cc1 ZINC000586926670 KK Annotated Unstable COC(=O)c1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586926676 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586926681 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3cc21 ZINC000586926683 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c3cc21 ZINC000586926685 KK Annotated Unstable CC(C)COc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586926690 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c21 ZINC000586926692 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586926715 KK Annotated Unstable COC(=O)c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586926732 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1Cl ZINC000586926764 KK Annotated Unstable O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c21 ZINC000586926766 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c21 ZINC000586926785 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 ZINC000586926807 KK Annotated Unstable COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)cc1 ZINC000586926816 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(C)(=O)=O)c4)[nH]c3cc21 ZINC000586926848 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586926854 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2cc1Br ZINC000586926857 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586926888 KK Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586926899 KK Annotated Bother CCCCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Br ZINC000586926917 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000586926919 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586926920 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c21 ZINC000586926930 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(S(=O)(=O)Cl)cc(Br)c4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586926939 KK Annotated Unstable CCc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927027 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586927038 KK Annotated Unstable COC(=O)c1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586927063 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586927082 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586927093 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586927104 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586927118 KK Annotated Unstable CC(C)CCOc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586927120 KK Annotated Bother CCCCOc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1Br ZINC000586927137 KK Annotated Unstable CCCCCCCCOc1cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2cc1Br ZINC000586927148 KK Annotated Unstable Cc1cc2nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000586927152 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 ZINC000586927161 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000586927178 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586927222 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc1-2 ZINC000586927243 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc21 ZINC000586927255 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586927272 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586927280 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000586927283 KK Annotated Unstable Cc1cc(S(=O)(=O)Cl)cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1Cl ZINC000586927299 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586927329 KK Annotated Unstable CCc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1S(=O)(=O)Cl ZINC000586927351 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586927357 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3S(=O)(=O)C3CCN(C(=O)OC(C)(C)C)CC3)[nH]c21 ZINC000586927373 KK Annotated Clean O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000586927399 KK Annotated Unstable O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586927401 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 ZINC000586927404 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586927409 KK Annotated Unstable O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 ZINC000586927424 KK Annotated Unstable O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1Cl ZINC000586927429 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c21 ZINC000586927434 KK Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(S(=O)(=O)Cl)cc(Br)c5Cl)[nH]c4c3)o2)cc1 ZINC000586927441 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc(Br)c(F)c3[nH]2)CC1 ZINC000586927448 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccccc5S(=O)(=O)C5CCN(C(=O)OC(C)(C)C)CC5)[nH]c4c3)cc2)CC1 ZINC000586927480 KK Annotated Anodyne O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000586927501 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(Br)cc(F)c3[nH]2)CC1 ZINC000586927513 KK Annotated Anodyne O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1Cl ZINC000586927519 KK Annotated Unstable CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 ZINC000586927520 KK Annotated Unstable CCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl ZINC000586927525 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(C#N)cc(Br)c3[nH]2)CC1 ZINC000586927532 KK Annotated Mild O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586927540 KK Annotated Unstable Cc1c(Br)cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1C ZINC000586927551 KK Annotated Unstable CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586927558 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c21 ZINC000586927565 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc3cc21 ZINC000586927601 KK Annotated Unstable CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586927633 KK Annotated Bother CCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1S(=O)(=O)Cl ZINC000586927721 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c21 ZINC000586927808 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586927846 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4ccc(S(C)(=O)=O)cc4)[nH]c3cc21 ZINC000586927929 KK Annotated Anodyne Cc1cc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586927966 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3cc21 ZINC000586928006 KK Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Cl)c(S(=O)(=O)Cl)c5)[nH]c4c3)o2)cc1 ZINC000586928043 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)Cl)c(C)c4)nc3cc21 ZINC000586928047 KK Annotated Unstable CCc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1S(=O)(=O)Cl ZINC000586928101 KK Annotated Unstable COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(S(=O)(=O)Cl)c(Cl)c5)[nH]c4c3)o2)cc1 ZINC000586928157 KK Annotated Unstable CCCCOc1cc2nc(-c3cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c3)[nH]c2cc1Br ZINC000586928175 KK Annotated Bother Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl ZINC000586928185 KK Annotated Unstable CS(=O)(=O)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1Cl ZINC000586928203 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586928221 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])c(Cl)c(S(C)(=O)=O)c4)[nH]c3cc21 ZINC000586928237 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3cc21 ZINC000586928238 KK Annotated Unstable O=S(=O)(Cl)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Cl ZINC000586928275 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3cc21 ZINC000586928342 KK Annotated Unstable CCCCCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Br ZINC000586928385 KK Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)c(Br)cc3[nH]2)c1 ZINC000586928419 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000586928424 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1 ZINC000586928438 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c2cc1Br ZINC000586928460 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c21 ZINC000586928462 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1 ZINC000586928479 KK Annotated Mild CC(C)CCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586928526 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 ZINC000586928528 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586928546 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)Cl)cc(C)c4Cl)[nH]c3cc21 ZINC000586928566 KK Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C)cc(Br)c3[nH]2)c1 ZINC000586928610 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586928612 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586928675 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000586928682 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586928708 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc(C)c3[nH]2)c1 ZINC000586928712 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000586928723 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586928755 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c2cc1Br ZINC000586928785 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C)S(=O)(=O)c3ccc(C#N)cc3)[nH]c21 ZINC000586928791 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(S(=O)(=O)Cl)cc(C)c5Cl)[nH]c4c3)o2)cc1 ZINC000586928814 KK Annotated Unstable CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586928854 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c2cc1Br ZINC000586928899 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000586928903 KK Annotated Anodyne CN(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586928907 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 ZINC000586928918 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000586928927 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 ZINC000586928931 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586928937 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 ZINC000586928987 KK Annotated Anodyne CCCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586929019 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586929041 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586929045 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4cccnc4)[nH]c3cc21 ZINC000586929058 KK Annotated Clean CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929068 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c21 ZINC000586929075 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000586929102 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 ZINC000586929108 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)nc2c1 ZINC000586929134 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586929141 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586929180 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 ZINC000586929234 KK Annotated Anodyne CN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000586929258 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br ZINC000586929454 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586929461 KK Annotated Anodyne CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 ZINC000586929471 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)c(C)c3[nH]2)c1 ZINC000586929488 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 ZINC000586929506 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c2cc1Br ZINC000586929520 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586929570 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000586929577 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4ccc(C#N)cc4)[nH]c3cc21 ZINC000586929643 KK Annotated Mild CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000586929662 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(S(N)(=O)=O)cc4C)[nH]c3cc21 ZINC000586929792 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000586929806 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000586929844 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1 ZINC000586929853 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 ZINC000586929873 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1 ZINC000586929877 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1 ZINC000586929878 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1 ZINC000586929912 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000586929925 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586929927 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 ZINC000586929950 KK Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586929952 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c21 ZINC000586929970 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000586929978 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc21 ZINC000586930086 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 ZINC000586930124 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(S(=O)(=O)N(CC)CC)c3)[nH]c2cc1Br ZINC000586930176 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586930197 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(=O)(=O)N(CC)CC)c4)[nH]c3cc21 ZINC000586930238 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(CS(N)(=O)=O)cc3)nc21 ZINC000586930243 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4ccc(S(N)(=O)=O)cc4)[nH]c3cc21 ZINC000586930287 KK Annotated Clean Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586930342 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000586930350 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(S(N)(=O)=O)c[nH]4)nc3cc21 ZINC000586930391 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(=O)(=O)N(C)c5ccc(C)cc5)c4)[nH]c3cc21 ZINC000586930392 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586930414 KK Annotated Anodyne NS(=O)(=O)c1ccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586930424 KK Annotated Reactive COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586930441 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586930472 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)N(CC)CC)ccc3N3CCCCC3)[nH]c21 ZINC000586930586 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1 ZINC000586930588 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586930636 KK Annotated Reactive CCCCCCCCOc1cc2nc(COc3ccc(S(N)(=O)=O)cc3C)[nH]c2cc1Br ZINC000586930644 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CS(N)(=O)=O)cc4)nc3cc21 ZINC000586930652 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1 ZINC000586930658 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1 ZINC000586930659 KK Annotated Bother CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000586930671 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c21 ZINC000586930704 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c21 ZINC000586930798 KK Annotated Clean Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586930804 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586930828 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000586930973 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)c1 ZINC000586930993 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(S(=O)(=O)N(CC)CC)c3)[nH]c21 ZINC000586931013 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 ZINC000586931039 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000586931062 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1 ZINC000586931083 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)N(CC)CC)ccc4N4CCCCC4)[nH]c3cc21 ZINC000586931090 KK Annotated Clean Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc1 ZINC000586931141 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586931225 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(=O)(=O)N(C)c5ccc(C)cc5)c4)[nH]c3cc21 ZINC000586931228 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 ZINC000586931235 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586931243 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)N(C)C)o4)nc3cc21 ZINC000586931250 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000586931260 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2cc1Br ZINC000586931266 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000586931270 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cc1 ZINC000586931298 KK Annotated Anodyne Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc1 ZINC000586931324 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc21 ZINC000586931337 KK Annotated Clean Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2)cc1 ZINC000586931364 KK Annotated Bother Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586931365 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCS(=O)(=O)N(C)C)[nH]c21 ZINC000586931376 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)nc2c1 ZINC000586931419 KK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c2cc1Br ZINC000586931422 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cccc(S(=O)(=O)N(C)c4ccc(C)cc4)c3)[nH]c2cc1Br ZINC000586931430 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(S(=O)(=O)N(C)C)cc3)[nH]c21 ZINC000586931478 KK Annotated Clean Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1 ZINC000586931503 KK Annotated Clean Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cc1 ZINC000586931563 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cccc(OCc4ccccc4)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931683 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OC(C)C)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931688 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(C)c3[nH]2)c(C)c1 ZINC000586931691 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931713 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)c1 ZINC000586931714 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586931715 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(F)c3[nH]2)c(C)c1 ZINC000586931716 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Cl)c(C)c3[nH]2)c(C)c1 ZINC000586931720 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586931724 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(C)c(C)c3[nH]2)c(C)c1 ZINC000586931727 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)c1 ZINC000586931733 KK Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)c1 ZINC000586931735 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931738 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586931749 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586931755 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931757 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)c1 ZINC000586931758 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586931763 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C)c1 ZINC000586931766 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(C)c1 ZINC000586931770 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586931780 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)c1 ZINC000586931783 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586931798 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(F)cc3[nH]2)c(C)c1 ZINC000586931808 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)c1 ZINC000586931811 KK Annotated Anodyne CSc1ccc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586931819 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)c1 ZINC000586931906 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)c1 ZINC000586931911 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)c1 ZINC000586931925 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCCNC(=N)NS(=O)(=O)c4c(C)cc(C)cc4C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000586931926 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586931928 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586931929 KK Annotated Reactive Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586931930 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586931934 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)c1 ZINC000586931946 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c3cc21 ZINC000586931947 KK Annotated Clean Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586931955 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)c1 ZINC000586931956 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1 ZINC000586931972 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586931985 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(F)c(Br)c3[nH]2)c(C)c1 ZINC000586932005 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932008 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586932015 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932023 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(F)c3[nH]2)c(C)c1 ZINC000586932033 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)c1 ZINC000586932039 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)c1 ZINC000586932046 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CCCNC(=N)NS(=O)(=O)c4c(C)cc(C)cc4C)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000586932052 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932059 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586932061 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932070 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(Cl)c3[nH]2)c(C)c1 ZINC000586932075 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932085 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932089 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc4c(c3[nH]2)CCCC4)c(C)c1 ZINC000586932090 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(C)(C)C)cc3[nH]2)c(C)c1 ZINC000586932091 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C)c3[nH]2)c(C)c1 ZINC000586932094 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586932196 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCS(=O)(=O)N(C)C)[nH]c3cc21 ZINC000586932249 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Cl)cc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932301 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)c1 ZINC000586932307 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)c1 ZINC000586932312 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)c1 ZINC000586932323 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586932324 KK Annotated Reactive Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586932328 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586932331 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932337 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@H](CCCNC(=N)NS(=O)(=O)c5c(C)cc(C)cc5C)NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000586932338 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)c1 ZINC000586932341 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3c4ccccc4c4ccccc4c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932342 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c21 ZINC000586932355 KK Annotated Clean C=CCc1cccc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586932364 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(Br)cc3[nH]2)c(C)c1 ZINC000586932367 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932369 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)c1 ZINC000586932387 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C)c1 ZINC000586932395 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)c1 ZINC000586932404 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(Br)c3[nH]2)c(C)c1 ZINC000586932444 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(C)c1 ZINC000586932463 KK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586932475 KK Annotated Reactive CCCCS(=O)(=O)N[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C ZINC000586932478 KK Annotated Reactive Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 ZINC000586932518 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 ZINC000586932519 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)c(C#N)cc3[nH]2)cc1 ZINC000586932522 KK Annotated Mild CSc1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586932523 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586932524 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586932525 KK Annotated Reactive Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586932526 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C)c(C)c3[nH]2)cc1 ZINC000586932527 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586932529 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586932530 KK Annotated Anodyne COc1nccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586932532 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586932533 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586932537 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586932538 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586932540 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)ccnc3[nH]2)cc1 ZINC000586932542 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(Cl)c3[nH]2)cc1 ZINC000586932548 KK Annotated Anodyne COc1cccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586932553 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586932554 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586932561 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586932564 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccccc3[nH]2)cc1 ZINC000586932566 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586932571 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C)c3[nH]2)cc1 ZINC000586932574 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1 ZINC000586932579 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586932585 KK Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C(C)C)cc1 ZINC000586932593 KK Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C(C)C)cc1 ZINC000586932595 KK Annotated Anodyne CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000586932598 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586932600 KK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000586932601 KK Annotated Clean COc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000586932605 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586932606 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586932607 KK Annotated Anodyne COc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000586932614 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586932617 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586932620 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000586932623 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2cc1Br ZINC000586932630 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)c1 ZINC000586932631 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](NS(=O)(=O)CCCC)C(C)C)[nH]c2cc1Br ZINC000586932633 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)nc2c1 ZINC000586932637 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000586932644 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(F)c3[nH]2)c(C)c1 ZINC000586932661 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(C)(C)C)c3[nH]2)c(C)c1 ZINC000586932667 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(Br)cc3[nH]2)c(C)c1 ZINC000586932669 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586932672 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc4nc(C)ccc4c3[nH]2)c(C)c1 ZINC000586932674 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCCNC(=N)NS(=O)(=O)c5ccc(C)cc5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000586932675 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932677 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)cc1 ZINC000586932678 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)c1 ZINC000586932684 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000586932687 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932688 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000586932689 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(=O)O)c3[nH]2)cc1 ZINC000586932692 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c(C)c1 ZINC000586932700 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586932705 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586932707 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586932710 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc4ccccc4cc3[nH]2)c(C)c1 ZINC000586932712 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)c1 ZINC000586932716 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586932718 KK Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(Cl)cc3[nH]2)c(C)c1 ZINC000586932719 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnc(Cl)[nH]c-3n2)cc1 ZINC000586932721 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(O)c3[nH]2)cc1 ZINC000586932724 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586932728 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(I)c3[nH]2)cc1 ZINC000586932737 KK Annotated Anodyne COc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000586932738 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586932739 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(C)c3[nH]2)c(C)c1 ZINC000586932741 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586932743 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)cc3[nH]2)cc1 ZINC000586932746 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1 ZINC000586932747 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586932749 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000586932750 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586932752 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCO4)cc1 ZINC000586932756 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586932764 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)c1 ZINC000586932767 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C)nc3[nH]2)cc1 ZINC000586932770 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586932773 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)ncc3[nH]2)cc1 ZINC000586932778 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)[nH]c21 ZINC000586932779 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932782 KK Annotated Reactive Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(OC(C)C)cc3[nH]2)c(C)c1 ZINC000586932786 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)c1 ZINC000586932787 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932792 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932794 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CCCNC(=N)NS(=O)(=O)c4c(C)cc(C)cc4C)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000586932795 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cc(Br)c3[nH]2)c(C)c1 ZINC000586932796 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)c1 ZINC000586932799 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586932802 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)c1 ZINC000586932803 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)cc(Cl)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932805 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586932806 KK Annotated Anodyne CCCOc1cc2nc([C@H](CCCNC(=N)NS(=O)(=O)c3c(C)cc(C)cc3C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586932807 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)cc3[nH]2)c(C)c1 ZINC000586932808 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000586932810 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932812 KK Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1 ZINC000586932817 KK Annotated Clean CCCCS(=O)(=O)N[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C ZINC000586932891 KK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)C ZINC000586932892 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000586932907 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586932912 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586932920 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586932922 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)ccc(C)c3[nH]2)cc1 ZINC000586932923 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586932924 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586932926 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586932928 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586932931 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586932932 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586932933 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586932935 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000586932936 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)c(F)cc3[nH]2)cc1 ZINC000586932938 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(F)cc3[nH]2)cc1 ZINC000586932939 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Cl)nc3[nH]2)cc1 ZINC000586932944 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000586932948 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586932950 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586932951 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000586932952 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586932953 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000586932957 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586932958 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586932960 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586932961 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586932968 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000586932970 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586932974 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)[nH]c21 ZINC000586932978 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586932980 KK Annotated Bother COC(=O)c1cc2[nH]c([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000586932981 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586932992 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586932994 KK Annotated Reactive Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000586932996 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(F)cc3[nH]2)c(C)c1 ZINC000586932997 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)c1 ZINC000586933001 KK Annotated Anodyne CCCOc1cc2nc(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586933003 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586933004 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586933006 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)c1 ZINC000586933010 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)nccc3[nH]2)cc1 ZINC000586933011 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cc(C)c3[nH]2)cc1 ZINC000586933012 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(Br)ccc(Br)c3[nH]2)c(C)c1 ZINC000586933015 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)c1 ZINC000586933021 KK Annotated Anodyne COc1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586933026 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3c(Br)cnc(Br)c3[nH]2)c(C)c1 ZINC000586933027 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586933036 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)c1 ZINC000586933043 KK Annotated Bother CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C(C)C)cc1 ZINC000586933048 KK Annotated Bother CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C(C)C)cc1 ZINC000586933051 KK Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586933056 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C)cc(Br)c3[nH]2)c(C)c1 ZINC000586933062 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933064 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933069 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 ZINC000586933073 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 ZINC000586933076 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)c1 ZINC000586933084 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586933096 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586933102 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586933105 KK Annotated Bother Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(C)c1 ZINC000586933106 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586933112 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)c1 ZINC000586933129 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)c1 ZINC000586933130 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)c1 ZINC000586933143 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586933153 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)c1 ZINC000586933161 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)c1 ZINC000586933169 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933177 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933179 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCCNC(=N)NS(=O)(=O)c4c(C)cc(C)cc4C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000586933180 KK Annotated Clean Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)c1 ZINC000586933181 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933192 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](CCCNC(=N)NS(=O)(=O)c5ccc(C)cc5)NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000586933204 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(F)c3[nH]2)cc1 ZINC000586933226 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586933232 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)O)cc3[nH]2)cc1 ZINC000586933257 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586933259 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586933268 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 ZINC000586933275 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586933288 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C#N)cc3[nH]2)cc1 ZINC000586933292 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)nc(C)cc3[nH]2)cc1 ZINC000586933300 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586933303 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933306 KK Annotated Anodyne COc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000586933311 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586933314 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)cnc(Cl)c3[nH]2)cc1 ZINC000586933320 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1 ZINC000586933328 KK Annotated Anodyne C=CCc1cccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586933332 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586933334 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586933342 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586933344 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000586933347 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586933348 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586933358 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586933364 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586933367 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586933374 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000586933385 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933387 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586933391 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C)cc3[nH]2)cc1 ZINC000586933392 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3nc(Cl)c[nH]c-3n2)cc1 ZINC000586933395 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cnc3[nH]2)cc1 ZINC000586933396 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000586933397 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586933398 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C#N)c3[nH]2)cc1 ZINC000586933400 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586933401 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586933404 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586933405 KK Annotated Bother COC(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000586933413 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586933414 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586933416 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000586933417 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586933418 KK Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C(C)C)cc1 ZINC000586933421 KK Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C(C)C)cc1 ZINC000586933422 KK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000586933432 KK Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)C ZINC000586933433 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(C)c3[nH]2)cc1 ZINC000586933521 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 ZINC000586933522 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586933523 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586933524 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 ZINC000586933525 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586933527 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586933528 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 ZINC000586933529 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586933532 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586933534 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)ccnc3[nH]2)cc1 ZINC000586933535 KK Annotated Anodyne COc1cncc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586933537 KK Annotated Anodyne COc1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586933539 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586933540 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586933542 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4ncccc4c3[nH]2)cc1 ZINC000586933543 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586933548 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 ZINC000586933550 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586933553 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(I)cc3[nH]2)cc1 ZINC000586933556 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586933557 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586933560 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586933561 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 ZINC000586933562 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586933563 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(CCO)cc3[nH]2)cc1 ZINC000586933564 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586933565 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586933566 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586933567 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586933568 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 ZINC000586933570 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)c(F)c3[nH]2)cc1 ZINC000586933575 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586933577 KK Annotated Anodyne COc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000586933582 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=N)N)cc3[nH]2)cc1 ZINC000586933585 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1 ZINC000586933586 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cnc3[nH]2)cc1 ZINC000586933589 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586933592 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586933594 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586933596 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586933597 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586933600 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000586933602 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586933604 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(CO)cc3[nH]2)cc1 ZINC000586933608 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586933615 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586933640 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccnc3[nH]2)cc1 ZINC000586933642 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586933651 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586933654 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586933657 KK Annotated Mild CCCCS(=O)(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000586933672 KK Annotated Clean CCCCS(=O)(=O)N[C@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000586933673 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(CNC(C)=O)cc4)C(C)C)[nH]c3cc21 ZINC000586933678 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(CNC(C)=O)cc4)C(C)C)[nH]c3cc21 ZINC000586933679 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586933727 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000586933729 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000586933735 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000586933736 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586933740 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586933741 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000586933743 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586933746 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)c(C)c3[nH]2)cc1 ZINC000586933765 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000586933771 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586933774 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586933776 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586933777 KK Annotated Bother CCCCS(=O)(=O)N[C@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000586933786 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586933789 KK Annotated Anodyne CCCCS(=O)(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000586933790 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)cc(F)c3[nH]2)cc1 ZINC000586933799 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c21 ZINC000586933804 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c21 ZINC000586933805 KK Annotated Clean Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586933814 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586933817 KK Annotated Bother Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 ZINC000586933818 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586933819 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000586933822 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(O)cc3[nH]2)cc1 ZINC000586933831 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586933833 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3c(Cl)ncnc3[nH]2)cc1 ZINC000586933855 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586933856 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(F)c3[nH]2)cc1 ZINC000586933858 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cccc(Cl)c3[nH]2)cc1 ZINC000586933860 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 ZINC000586933863 KK Annotated Anodyne CCc1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586933867 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586933871 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C)c(C)cc3[nH]2)cc1 ZINC000586933885 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cnccc3[nH]2)cc1 ZINC000586933892 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000586933895 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cncc(Cl)c3[nH]2)cc1 ZINC000586933896 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](CCCNC(=N)NS(=O)(=O)c3ccc(C)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586933897 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586933900 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000586933907 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586933912 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 ZINC000586933913 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586933914 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CCCNC(=N)NS(=O)(=O)c4ccc(C)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586933915 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586933919 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586933921 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934252 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934253 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cccc12 ZINC000586934260 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cccc12 ZINC000586934261 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CC(N)=O)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586934336 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CC(N)=O)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586934337 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934391 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586934393 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586934394 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCCNC(=N)N)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586934395 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586934396 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586934397 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586934491 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586934492 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586934493 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586934496 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCSC)NS(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586934504 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCSC)NS(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586934505 KK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586934520 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586934521 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586934522 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586934523 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586934554 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586934557 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCSC)NS(=O)(=O)c5ccc(C)cc5C)[nH]c4c3)o2)cc1 ZINC000586934642 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CCSC)NS(=O)(=O)c5ccc(C)cc5C)[nH]c4c3)o2)cc1 ZINC000586934650 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586934699 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586934712 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4c5ccccc5c5ccccc5c4[nH]3)cccc12 ZINC000586934783 KK Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4c5ccccc5c5ccccc5c4[nH]3)cccc12 ZINC000586934787 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2cc1Br ZINC000586934825 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2cc1Br ZINC000586934826 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2cc1Br ZINC000586934828 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2cc1Br ZINC000586934830 KK Annotated Mild CCCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586934985 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586934987 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586935003 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586935007 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586935063 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586935070 KK Annotated Reactive CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586935162 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586935166 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586935248 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586935253 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c21 ZINC000586935307 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c21 ZINC000586935318 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c21 ZINC000586935327 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c21 ZINC000586935331 KK Annotated Clean CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586935350 KK Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586935352 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c21 ZINC000586935353 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c21 ZINC000586935355 KK Annotated Clean CCCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586935377 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586935378 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586935444 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586935446 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586935482 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586935484 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586935763 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586935770 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3cc21 ZINC000586935773 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586935775 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3cc21 ZINC000586935776 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586935779 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586935780 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586935784 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3c2)cc1 ZINC000586935797 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3c2)cc1 ZINC000586935798 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586935808 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586935809 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586935816 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586935817 KK Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586935869 KK Annotated Reactive CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586935872 KK Annotated Reactive CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586935987 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586935989 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586936010 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586936011 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cccc12 ZINC000586936037 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cccc12 ZINC000586936040 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586936041 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586936048 KK Annotated Mild COC(=O)c1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586936103 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(S(=O)(=O)NC(C)C)c[nH]4)nc3cc21 ZINC000586936109 KK Annotated Clean COC(=O)c1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586936111 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586936154 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586936158 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(OC)cc4)[C@@H](C)O)[nH]c3cc21 ZINC000586936188 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(OC)cc4)[C@H](C)O)[nH]c3cc21 ZINC000586936198 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(OC)cc4)[C@@H](C)O)[nH]c3cc21 ZINC000586936200 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(OC)cc4)[C@H](C)O)[nH]c3cc21 ZINC000586936204 KK Annotated Clean CCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586936242 KK Annotated Anodyne CCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586936245 KK Annotated Anodyne CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586936282 KK Annotated Reactive CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586936298 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586936299 KK Annotated Anodyne CCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586936300 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586936301 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586936325 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586936329 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586936330 KK Annotated Mild COC(=O)c1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586936338 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586936353 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586936356 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586936362 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCSC)NS(=O)(=O)c4ccc(C)cc4C)[nH]c3cc21 ZINC000586936363 KK Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586936364 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCSC)NS(=O)(=O)c4ccc(C)cc4C)[nH]c3cc21 ZINC000586936366 KK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586936411 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586936413 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 ZINC000586936414 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 ZINC000586936417 KK Annotated Reactive CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586936449 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586936450 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586936552 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586936559 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586936567 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586936569 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CC(N)=O)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586936618 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CC(N)=O)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586936624 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586936691 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586936696 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586936751 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586936753 KK Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586936830 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586936831 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N[C@H](C)CC)cc3)nc2cc1Br ZINC000586936849 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)N[C@@H](C)CC)cc3)nc2cc1Br ZINC000586936851 KK Annotated Mild CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586936872 KK Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586936879 KK Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586937051 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 ZINC000586937056 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cccc12 ZINC000586937135 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cccc12 ZINC000586937141 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](NS(=O)(=O)c5ccc(Cl)cc5)C(C)C)[nH]c4c3)o2)cc1 ZINC000586937167 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](NS(=O)(=O)c5ccc(Cl)cc5)C(C)C)[nH]c4c3)o2)cc1 ZINC000586937170 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586937201 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586937204 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586937260 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586937276 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc21 ZINC000586937291 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c21 ZINC000586937404 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(=O)(=O)NCC(N)=O)c4)[nH]c3cc21 ZINC000586937422 KK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586937440 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586937442 KK Annotated Anodyne CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586937469 KK Annotated Anodyne CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586937478 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCCNC(=N)N)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586937490 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586937495 KK Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586937501 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586937505 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586937522 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586937533 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586937595 KK Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586937596 KK Annotated Reactive CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586937653 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586937654 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c21 ZINC000586937712 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c21 ZINC000586937715 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c21 ZINC000586937716 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c21 ZINC000586937717 KK Annotated Clean CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cccc12 ZINC000586937731 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cccc12 ZINC000586937735 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586937832 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586937836 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 ZINC000586937866 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 ZINC000586937867 KK Annotated Reactive CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586937919 KK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586937920 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c3cc21 ZINC000586937961 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)NS(=O)(=O)c4cnn(C)c4)[nH]c3cc21 ZINC000586937966 KK Annotated Clean CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000586938008 KK Annotated Bother CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000586938010 KK Annotated Bother CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586938072 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586938073 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586938080 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586938082 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586938097 KK Annotated Bother CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586938103 KK Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc12 ZINC000586938115 KK Annotated Bother CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc12 ZINC000586938119 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586938133 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586938138 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586938143 KK Annotated Mild CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586938146 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586938149 KK Annotated Mild CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586938150 KK Annotated Anodyne COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](C)O)cc1 ZINC000586938222 KK Annotated Reactive COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938224 KK Annotated Reactive COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](C)O)cc1 ZINC000586938226 KK Annotated Reactive COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](C)O)cc1 ZINC000586938227 KK Annotated Reactive CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586938232 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586938233 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586938450 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586938451 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586938463 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586938472 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586938522 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586938523 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586938627 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586938628 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CCSC)NS(=O)(=O)c4ccc(C)cc4C)[nH]c3c2)cc1 ZINC000586938633 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CCSC)NS(=O)(=O)c4ccc(C)cc4C)[nH]c3c2)cc1 ZINC000586938640 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c21 ZINC000586938679 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c21 ZINC000586938682 KK Annotated Clean CCCCCOc1cc2nc([C@@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586938779 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CCCNC(=N)N)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586938780 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586938799 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586938801 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cccc12 ZINC000586938861 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cccc12 ZINC000586938863 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c21 ZINC000586938868 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CC(N)=O)NS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c21 ZINC000586938869 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000586938906 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000586938909 KK Annotated Clean CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586938961 KK Annotated Reactive CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586938964 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000586938986 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000586939005 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c21 ZINC000586939015 KK Annotated Clean CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586939021 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)NS(=O)(=O)c3cnn(C)c3)[nH]c21 ZINC000586939022 KK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586939027 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2cc1Br ZINC000586939043 KK Annotated Mild CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586939054 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586939056 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586939063 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586939073 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586939091 KK Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586939098 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c21 ZINC000586939109 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c21 ZINC000586939122 KK Annotated Clean CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586939151 KK Annotated Anodyne CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586939152 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586939237 KK Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586939238 KK Annotated Reactive CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586939241 KK Annotated Anodyne CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586939252 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586939263 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586939264 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586939326 KK Annotated Reactive CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586939327 KK Annotated Reactive CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586939491 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586939492 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586939515 KK Annotated Anodyne CCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586939516 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586939527 KK Annotated Bother CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586939528 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCN3C(=O)CNS(=O)(=O)c3ccc(C)cc3)[nH]c21 ZINC000586939677 KK Annotated Clean CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586939762 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586939763 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586939772 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586939773 KK Annotated Anodyne CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586939811 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586939812 KK Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)C(C)C)cc1 ZINC000586939829 KK Annotated Anodyne CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)C(C)C)cc1 ZINC000586939830 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586939861 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1Br ZINC000586939862 KK Annotated Anodyne CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586939894 KK Annotated Clean CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586939895 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3cc21 ZINC000586940032 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(Cl)cc4)C(C)C)[nH]c3cc21 ZINC000586940033 KK Annotated Clean CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586940085 KK Annotated Anodyne CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586940086 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c21 ZINC000586940095 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)CNS(=O)(=O)c4ccc(C#N)cc4)[nH]c3cc21 ZINC000586940104 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)/C=C/c4ccc(C)cc4)[nH]c3cc21 ZINC000586940553 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)/C=C\c4ccc(C)cc4)[nH]c3cc21 ZINC000586940555 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c2cc1Br ZINC000586940638 KK Annotated Mild CCCCCCCCOc1cc2nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c2cc1Br ZINC000586940640 KK Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000586940707 KK Annotated Reactive CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1[N+](=O)[O-] ZINC000586940718 KK Annotated Bother CSc1ccc(S(=O)(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940805 KK Annotated Reactive Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586940810 KK Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000586940811 KK Annotated Anodyne Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586940818 KK Annotated Reactive Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586940819 KK Annotated Reactive CSc1ccc(S(=O)(=O)NCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1[N+](=O)[O-] ZINC000586940914 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)/C=C\c4ccc(C)cc4)[nH]c3cc21 ZINC000586940921 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)/C=C/c4ccc(C)cc4)[nH]c3cc21 ZINC000586940922 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)/C=C\c3ccc(C)cc3)[nH]c21 ZINC000586940923 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)/C=C/c3ccc(C)cc3)[nH]c21 ZINC000586940924 KK Annotated Clean Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586941011 KK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586941013 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000586941198 KK Annotated Mild CSc1ccc(S(=O)(=O)NCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1[N+](=O)[O-] ZINC000586941203 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4ccc(SC)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000586941209 KK Annotated Clean CC(C)CCOc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586941217 KK Annotated Anodyne O=S(=O)(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586941236 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c21 ZINC000586941282 KK Annotated Clean Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586941329 KK Annotated Anodyne Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586941333 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586941349 KK Annotated Mild Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586941352 KK Annotated Bother Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586941358 KK Annotated Bother CCCCCOc1cc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000586941392 KK Annotated Bother CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc12 ZINC000586941416 KK Annotated Bother CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cccc12 ZINC000586941621 KK Annotated Anodyne CCCCCOc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1Br ZINC000586941708 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c21 ZINC000586941731 KK Annotated Clean O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586941805 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c21 ZINC000586941839 KK Annotated Clean CCCCCOc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Br ZINC000586942092 KK Annotated Anodyne O=S(=O)(NCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942097 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCNS(=O)(=O)CC)[nH]c21 ZINC000586942143 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586942190 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c21 ZINC000586942209 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCNS(=O)(=O)CC)[nH]c3cc21 ZINC000586942288 KK Annotated Clean CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cccc12 ZINC000586942309 KK Annotated Anodyne O=S(=O)(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)s1 ZINC000586942320 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000586942321 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)nc1 ZINC000586942344 KK Annotated Reactive CCCOc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586942360 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586942361 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3cc21 ZINC000586942362 KK Annotated Clean O=S(=O)(NCCc1nc2cc(Cl)cc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942363 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942374 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942383 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000586942394 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942396 KK Annotated Anodyne O=S(=O)(NCCc1nc2c(Br)ccc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942404 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586942518 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3cc21 ZINC000586942538 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c12 ZINC000586942549 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cccc12 ZINC000586942552 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cccc12 ZINC000586942553 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586942588 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4ccc(Br)s4)[nH]c3cc21 ZINC000586942599 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586942602 KK Annotated Clean CC(C)CCOc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Br ZINC000586942625 KK Annotated Anodyne CCCCCOc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586942629 KK Annotated Anodyne CC(C)Oc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586942649 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586942667 KK Annotated Mild O=S(=O)(NCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942675 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cccc12 ZINC000586942681 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cc1Br ZINC000586942723 KK Annotated Mild O=S(=O)(NCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586942724 KK Annotated Anodyne O=S(=O)(NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(Br)s1 ZINC000586942733 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942734 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNS(=O)(=O)c4cc(Br)ccc4Br)[nH]c3cc21 ZINC000586942758 KK Annotated Clean O=C(O)c1cc2[nH]c(CCNS(=O)(=O)c3cc(Br)ccc3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586942759 KK Annotated Bother O=S(=O)(NCCc1nc2cccc(OCc3ccccc3)c2[nH]1)c1cc(Br)ccc1Br ZINC000586942770 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586942775 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c21 ZINC000586942799 KK Annotated Clean O=S(=O)(NCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586942811 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943016 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943017 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943018 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586943021 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943025 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)c(Br)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943037 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943046 KK Annotated Anodyne CCCCOc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586943047 KK Annotated Anodyne CCCCOc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586943049 KK Annotated Anodyne O=S(=O)(NCCc1nc2c3ccccc3c3ccccc3c2[nH]1)c1cc(Br)ccc1Br ZINC000586943054 KK Annotated Bother O=S(=O)(NCCc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943061 KK Annotated Anodyne CC(C)COc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586943062 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1c(Cl)cccc1Cl ZINC000586943065 KK Annotated Reactive COC(=O)c1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586943099 KK Annotated Anodyne CC(C)COc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586943111 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3cc21 ZINC000586943115 KK Annotated Clean O=S(=O)(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943122 KK Annotated Reactive O=S(=O)(NCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943130 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943138 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c21 ZINC000586943155 KK Annotated Clean O=S(=O)(NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)s1 ZINC000586943216 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586943229 KK Annotated Bother CC(C)CCOc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000586943315 KK Annotated Anodyne CCCCCOc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586943332 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000586943335 KK Annotated Clean O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943338 KK Annotated Anodyne O=S(=O)(NCCc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943347 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(Cl)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943349 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586943355 KK Annotated Bother O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2c1 ZINC000586943363 KK Annotated Anodyne COC(=O)c1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586943368 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943389 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586943395 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943398 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1c(Cl)cccc1Cl ZINC000586943403 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943408 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4cc(Br)ccc4Br)[nH]c3c2)cc1 ZINC000586943417 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c2cc1Br ZINC000586943430 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCNS(=O)(=O)c3cc(Br)ccc3Br)[nH]c12 ZINC000586943431 KK Annotated Anodyne O=S(=O)(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cc(Br)ccc1Br ZINC000586943447 KK Annotated Reactive O=S(=O)(NCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943451 KK Annotated Anodyne O=S(=O)(NCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cc(Br)ccc1Br ZINC000586943473 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c21 ZINC000586943495 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCNS(=O)(=O)c4cc(Br)ccc4Br)[nH]c3cc21 ZINC000586943510 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCNS(=O)(=O)c5cc(Br)ccc5Br)[nH]c4c3)o2)cc1 ZINC000586943522 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586943627 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cccc12 ZINC000586943630 KK Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586943665 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586943689 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c21 ZINC000586943750 KK Annotated Clean CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cccc12 ZINC000586943765 KK Annotated Bother O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000586943767 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)[nH]c3cc21 ZINC000586943780 KK Annotated Clean O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586943836 KK Annotated Bother O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586943868 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586943873 KK Annotated Anodyne Cc1cc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2c(C)n1 ZINC000586943880 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586943883 KK Annotated Bother O=S(=O)(NCc1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586943886 KK Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586943903 KK Annotated Reactive O=S(=O)(NCc1ccc(-c2nc3nccc(Br)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586943904 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586943917 KK Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000586943952 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CNS(=O)(=O)c5ccc(Oc6ccccc6Cl)cc5)cc4)nc3cc21 ZINC000586943960 KK Annotated Clean O=S(=O)(NCc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586943961 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cccc12 ZINC000586943983 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(ccc4ncccc43)[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944003 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944007 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c12 ZINC000586944009 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944016 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944020 KK Annotated Anodyne Cc1nc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2cc1Br ZINC000586944023 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944037 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944050 KK Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586944079 KK Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000586944131 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c21 ZINC000586944139 KK Annotated Clean CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1 ZINC000586944169 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944172 KK Annotated Bother O=S(=O)(NCc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944191 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2cc1Br ZINC000586944196 KK Annotated Mild O=S(=O)(NCc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944199 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944201 KK Annotated Anodyne C=CCc1cccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944211 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc21 ZINC000586944228 KK Annotated Clean O=S(=O)(NCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944233 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944238 KK Annotated Reactive Cc1c(Br)ccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944257 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944260 KK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2c1 ZINC000586944261 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944267 KK Annotated Anodyne N#Cc1cc(Cl)c2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2c1 ZINC000586944268 KK Annotated Mild O=S(=O)(NCc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944273 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944281 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944282 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944285 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944287 KK Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000586944288 KK Annotated Reactive O=S(=O)(NCc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944318 KK Annotated Anodyne Cc1ccnc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c12 ZINC000586944324 KK Annotated Anodyne Nc1ccnc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c12 ZINC000586944331 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944333 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cccc12 ZINC000586944337 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cccc12 ZINC000586944420 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586944465 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc21 ZINC000586944526 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NCCCN5CCCC5=O)ccc4Cl)[nH]c3cc21 ZINC000586944527 KK Annotated Clean CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)cc1 ZINC000586944537 KK Annotated Bother Cc1cncc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944542 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944546 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944549 KK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944558 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944560 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944561 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944562 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586944566 KK Annotated Bother Nc1nc(Cl)c2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc2n1 ZINC000586944572 KK Annotated Anodyne Cc1ccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc2n1 ZINC000586944585 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CNS(=O)(=O)c5ccc(C(C)=O)cc5)cc4)nc3cc21 ZINC000586944593 KK Annotated Clean O=S(=O)(NCc1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944603 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944615 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944627 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cccc12 ZINC000586944639 KK Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)cc1 ZINC000586944719 KK Annotated Anodyne O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586944722 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NCCCN5CCCC5=O)ccc4Cl)[nH]c3cc21 ZINC000586944759 KK Annotated Anodyne CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1 ZINC000586944793 KK Annotated Anodyne O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586944795 KK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2c1 ZINC000586944864 KK Annotated Mild CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C)c(C)c(Br)cc4[nH]3)cc2)cc1 ZINC000586944870 KK Annotated Anodyne N#Cc1nc(Cl)cc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944871 KK Annotated Mild CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)cc1 ZINC000586944873 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(O)c(Br)ccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944886 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944894 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944897 KK Annotated Anodyne O=[N+]([O-])c1cccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944918 KK Annotated Bother O=S(=O)(NCc1ccc(-c2nc3c(F)cc(F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944947 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944950 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944951 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3nc(Cl)c[nH]c-3n2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944954 KK Annotated Anodyne O=[N+]([O-])c1cncc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)nc12 ZINC000586944956 KK Annotated Bother O=S(=O)(NCc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586944977 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586944996 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586945029 KK Annotated Reactive Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586945030 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c21 ZINC000586945040 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c21 ZINC000586945041 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)NCc4cccs4)[nH]c3cc21 ZINC000586945046 KK Annotated Clean O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586945063 KK Annotated Reactive O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586945064 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945071 KK Annotated Anodyne O=[N+]([O-])c1cnc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c2c1 ZINC000586945073 KK Annotated Bother O=S(=O)(NCc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945078 KK Annotated Anodyne Cc1cnc(Cl)c2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c12 ZINC000586945086 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)cncc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945091 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945095 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945096 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945103 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(Br)nccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945108 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(cnc4ccccc43)[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945117 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945152 KK Annotated Anodyne Cc1nccc2nc(-c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5Cl)cc4)cc3)[nH]c12 ZINC000586945161 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(C(C)=O)cc4)cc3)nc21 ZINC000586945163 KK Annotated Clean O=S(=O)(NCc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945171 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 ZINC000586945184 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c21 ZINC000586945208 KK Annotated Clean O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586945232 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586945252 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)NCc4cccs4)[nH]c3cc21 ZINC000586945260 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3cc21 ZINC000586945288 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586945331 KK Annotated Reactive CC(C)COc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586945357 KK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586945391 KK Annotated Reactive O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586945455 KK Annotated Anodyne CCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586945473 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586945475 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 ZINC000586945497 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586945507 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1Br ZINC000586945523 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1Br ZINC000586945524 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2cc1Br ZINC000586945529 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2cc1Br ZINC000586945530 KK Annotated Mild O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586945544 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586945554 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586945572 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c21 ZINC000586945585 KK Annotated Clean CC(C)CCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586945605 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(CNS(C)(=O)=O)oc4C)[nH]c3cc21 ZINC000586945615 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NC[C@@H]5CCCO5)ccc4C)[nH]c3cc21 ZINC000586945624 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NC[C@H]5CCCO5)ccc4C)[nH]c3cc21 ZINC000586945626 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945639 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3cc21 ZINC000586945653 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c21 ZINC000586945656 KK Annotated Clean O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586945657 KK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586945660 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586945691 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586945696 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 ZINC000586945702 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)NC[C@H]5CCCO5)cc4)nc3cc21 ZINC000586945732 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)NC[C@@H]5CCCO5)cc4)nc3cc21 ZINC000586945737 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5sccc5S(=O)(=O)NCc5ccco5)[nH]c4c3)o2)cc1 ZINC000586945739 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586945773 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586945777 KK Annotated Anodyne CNS(=O)(=O)c1ccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586945817 KK Annotated Reactive O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586945839 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 ZINC000586945870 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586945879 KK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586945884 KK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586945900 KK Annotated Anodyne Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586945903 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 ZINC000586945948 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586945949 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586946019 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586946051 KK Annotated Mild O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586946054 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1Br ZINC000586946059 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586946108 KK Annotated Mild O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586946169 KK Annotated Anodyne O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586946191 KK Annotated Anodyne CC(C)COc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586946192 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3ccc(S(=O)(=O)NC)cc3)[nH]c21 ZINC000586946318 KK Annotated Clean CCCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2cc1Br ZINC000586946336 KK Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586946362 KK Annotated Anodyne CCCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586946364 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586946395 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cc1Br ZINC000586946428 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3cccs3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586946429 KK Annotated Bother O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586946470 KK Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586946567 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2c(F)c1Nc1ccccc1 ZINC000586946716 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4ccc(S(=O)(=O)NC)cc4)[nH]c3cc21 ZINC000586946775 KK Annotated Clean Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586946814 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586946821 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586946911 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586946912 KK Annotated Anodyne O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586946920 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586946939 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586946946 KK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1C ZINC000586946964 KK Annotated Reactive O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586946967 KK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)c1C ZINC000586946997 KK Annotated Bother Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)c1C ZINC000586946998 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)Nc5cccc(C)c5C)cc4)nc3cc21 ZINC000586947024 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586947195 KK Annotated Bother Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586947196 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NC[C@H]5CCCO5)ccc4C)[nH]c3cc21 ZINC000586947208 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NC[C@@H]5CCCO5)ccc4C)[nH]c3cc21 ZINC000586947209 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)NCc4cccs4)[nH]c3c2)cc1 ZINC000586947215 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)Nc5cccc(C)c5C)cc4)nc3cc21 ZINC000586947234 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc21 ZINC000586947262 KK Annotated Clean COC(=O)c1cc(Br)c2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1 ZINC000586947278 KK Annotated Anodyne O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586947305 KK Annotated Reactive O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586947308 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(S(=O)(=O)NC)cn4C)nc3cc21 ZINC000586947392 KK Annotated Clean Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)c1C ZINC000586947417 KK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)c1C ZINC000586947611 KK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)c1C ZINC000586947642 KK Annotated Anodyne Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C(=O)O)cc(Br)cc4[nH]3)cc2)c1C ZINC000586947669 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc21 ZINC000586947679 KK Annotated Clean COc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947743 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1Cl ZINC000586947788 KK Annotated Anodyne COc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947791 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)nc2c1 ZINC000586947792 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586947796 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Cl ZINC000586947804 KK Annotated Anodyne COc1ccc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947807 KK Annotated Mild COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Cl ZINC000586947810 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Cl ZINC000586947812 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586947815 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586947817 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Cl ZINC000586947824 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586947830 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000586947837 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586947839 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)ccc1Cl ZINC000586947842 KK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(OC(C)C)cc3[nH]2)cc1 ZINC000586947851 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586947855 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586947856 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586947858 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586947859 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000586947861 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586947864 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl ZINC000586947867 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000586947869 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000586947871 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586947875 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Cl ZINC000586947881 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)nc2c1 ZINC000586947885 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000586947891 KK Annotated Anodyne COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947896 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586947899 KK Annotated Mild COc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586947903 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cc1Br ZINC000586947904 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)nc2c1 ZINC000586947912 KK Annotated Bother COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cc1C ZINC000586947913 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)ncc(F)c3[nH]2)cc1 ZINC000586947917 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cncc(Br)c3[nH]2)ccc1Cl ZINC000586947922 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 ZINC000586947923 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586947924 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccccc5NS(=O)(=O)c5cc([N+](=O)[O-])ccc5C)[nH]c4c3)o2)cc1 ZINC000586947927 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586947934 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl ZINC000586947948 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586947953 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586947958 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)ccc1Cl ZINC000586947965 KK Annotated Bother COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586947966 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586947968 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000586947969 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1Cl ZINC000586947972 KK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586947973 KK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c12 ZINC000586947974 KK Annotated Mild COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)ccc1Cl ZINC000586947977 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Cl ZINC000586947982 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586947985 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586947986 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586947991 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586947999 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc4nc(C)ccc4c3[nH]2)ccc1Cl ZINC000586948010 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Cl ZINC000586948026 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586948029 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586948041 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000586948045 KK Annotated Bother O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586948049 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586948064 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(C)cc3[nH]2)ccc1Cl ZINC000586948073 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000586948085 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000586948089 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586948094 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586948103 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Br ZINC000586948106 KK Annotated Bother O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 ZINC000586948110 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2c1 ZINC000586948111 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000586948119 KK Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000586948128 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586948143 KK Annotated Bother COc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586948190 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1Cl ZINC000586948263 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccc1Cl ZINC000586948274 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586948277 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586948287 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(Br)ccnc3[nH]2)ccc1Cl ZINC000586948289 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586948290 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586948293 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc2c1 ZINC000586948294 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586948301 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586948304 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586948312 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586948320 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cccc(C#N)c3[nH]2)ccc1Cl ZINC000586948333 KK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586948353 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000586948361 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c21 ZINC000586948364 KK Annotated Clean COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)c(C)nc3[nH]2)ccc1Cl ZINC000586948365 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2c1OC ZINC000586948366 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)Nc5cc(Br)ccc5OC)c4)[nH]c3cc21 ZINC000586948372 KK Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586948377 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1Cl ZINC000586948391 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586948393 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)nc2c1 ZINC000586948403 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586948405 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586948412 KK Annotated Anodyne Cc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Br ZINC000586948419 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586948425 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586948441 KK Annotated Bother CCCCCOc1cc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000586948443 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000586948446 KK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000586948451 KK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2c1 ZINC000586948452 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586948459 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586948460 KK Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586948465 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586948472 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586948479 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)ccc1Cl ZINC000586948482 KK Annotated Anodyne Cc1c(Br)cnc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c12 ZINC000586948485 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C)cc(Br)c3[nH]2)ccc1Cl ZINC000586948487 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586948490 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)ccc1Cl ZINC000586948491 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586948497 KK Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586948499 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(C)c3[nH]2)ccc1Cl ZINC000586948501 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1Cl ZINC000586948504 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586948506 KK Annotated Reactive COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Br)nc3[nH]2)ccc1Cl ZINC000586948507 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 ZINC000586948511 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586948516 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586948524 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586948528 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(C)c(C)c3[nH]2)ccc1Cl ZINC000586948532 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586948538 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Br ZINC000586948551 KK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586948555 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1Cl ZINC000586948561 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)ccc1Cl ZINC000586948564 KK Annotated Bother O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 ZINC000586948577 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 ZINC000586948578 KK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2c1 ZINC000586948593 KK Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000586948680 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586948688 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586948695 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586948704 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586948717 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OC)c(S(=O)(=O)Nc4ccc(Br)cc4)c3)[nH]c21 ZINC000586948719 KK Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586948727 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586948744 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586948751 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586948753 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Cl ZINC000586948756 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586948760 KK Annotated Clean CCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586948765 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C)cc(C)c3[nH]2)ccc1Cl ZINC000586948766 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586948768 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C)c(Cl)cc3[nH]2)ccc1Cl ZINC000586948770 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4ccccc4cc3[nH]2)cc1 ZINC000586948772 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)[nH]c3cc21 ZINC000586948774 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C)cc(F)c3[nH]2)ccc1Cl ZINC000586948777 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)ccc1Cl ZINC000586948785 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1Cl ZINC000586948790 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cncc(Cl)c3[nH]2)ccc1Cl ZINC000586948792 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000586948795 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586948800 KK Annotated Bother O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586948801 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586948803 KK Annotated Reactive Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586948805 KK Annotated Bother COC(=O)c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586948809 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 ZINC000586948816 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586948819 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(OC(C)C)cc3[nH]2)ccc1Cl ZINC000586948820 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586948831 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(C)ccnc3[nH]2)ccc1Cl ZINC000586948832 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C#N)cc(Br)c3[nH]2)ccc1Cl ZINC000586948836 KK Annotated Mild COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl ZINC000586948839 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586948842 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C)c(F)cc3[nH]2)ccc1Cl ZINC000586948848 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl ZINC000586948849 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000586948852 KK Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586948856 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586948861 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586948862 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586948866 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586948867 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 ZINC000586948871 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000586948872 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000586948883 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000586948891 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Cl ZINC000586948896 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)Nc5ccccc5Oc5ccccc5)cc4)nc3cc21 ZINC000586948899 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OC)c(S(=O)(=O)Nc5ccc(Br)cc5)c4)[nH]c3cc21 ZINC000586948900 KK Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586948904 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586948911 KK Annotated Reactive COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl ZINC000586948917 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(I)cc3[nH]2)cc1 ZINC000586948922 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl ZINC000586948928 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 ZINC000586948931 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl ZINC000586948938 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 ZINC000586948943 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)ccc1Cl ZINC000586948944 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586948947 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586948953 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(C)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586948955 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc21 ZINC000586948960 KK Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586948963 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586948966 KK Annotated Anodyne COc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586948972 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586948979 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586948980 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000586948983 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000586948986 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586948998 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586948999 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1Cl ZINC000586949026 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc1Cl ZINC000586949034 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccc1Cl ZINC000586949036 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586949040 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586949067 KK Annotated Clean O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 ZINC000586949072 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cc1Br ZINC000586949077 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586949100 KK Annotated Anodyne COc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000586949101 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)ccc1Cl ZINC000586949113 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586949115 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586949129 KK Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586949135 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)[nH]c3cc21 ZINC000586949156 KK Annotated Clean COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Cl ZINC000586949172 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c21 ZINC000586949177 KK Annotated Clean COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)ccc1Cl ZINC000586949179 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586949183 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586949190 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586949203 KK Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586949205 KK Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586949220 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)nc(C#N)c3[nH]2)ccc1Cl ZINC000586949221 KK Annotated Mild COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)ccc1Cl ZINC000586949224 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000586949226 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c12 ZINC000586949227 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1Cl ZINC000586949236 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586949239 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Cl ZINC000586949254 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586949255 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br ZINC000586949257 KK Annotated Mild CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586949258 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586949259 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(F)c(C)c3[nH]2)ccc1Cl ZINC000586949262 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1Cl ZINC000586949263 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c21 ZINC000586949273 KK Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000586949286 KK Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586949296 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)nc2c1 ZINC000586949300 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586949304 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Cl ZINC000586949306 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586949308 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 ZINC000586949311 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1 ZINC000586949312 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc4ncccc4c3[nH]2)ccc1Cl ZINC000586949320 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Cl ZINC000586949322 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 ZINC000586949328 KK Annotated Clean COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000586949338 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000586949339 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C)c(Br)cc3[nH]2)ccc1Cl ZINC000586949341 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(I)c3[nH]2)cc1 ZINC000586949354 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586949356 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(C)nccc3[nH]2)ccc1Cl ZINC000586949358 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(S(=O)(=O)Nc5ccccc5Oc5ccccc5)cc4)nc3cc21 ZINC000586949366 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Cl)c(C)c3[nH]2)ccc1Cl ZINC000586949368 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586949371 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586949373 KK Annotated Reactive COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)ccc1Cl ZINC000586949379 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586949381 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl ZINC000586949383 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586949387 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586949391 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586949392 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1Cl ZINC000586949395 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl ZINC000586949411 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000586949414 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586949420 KK Annotated Mild O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586949426 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 ZINC000586949431 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[nH]c2cc1Br ZINC000586949432 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000586949433 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586949437 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Cl)nc3[nH]2)ccc1Cl ZINC000586949441 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586949442 KK Annotated Bother COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586949447 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586949449 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Cl ZINC000586949468 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2c1 ZINC000586949493 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586949503 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586949515 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586949528 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586949540 KK Annotated Bother COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)ccc1Cl ZINC000586949548 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586949549 KK Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586949554 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586949581 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)ccc1Cl ZINC000586949584 KK Annotated Bother Cc1nc2nc(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)[nH]c2cc1Br ZINC000586949594 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 ZINC000586949595 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cncc(C)c3[nH]2)ccc1Cl ZINC000586949613 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cc1Br ZINC000586949615 KK Annotated Anodyne COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cc1F ZINC000586949621 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586949624 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586949626 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586949631 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c21 ZINC000586949633 KK Annotated Clean CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586949637 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586949639 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 ZINC000586949642 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(NS(C)(=O)=O)ccc4O)[nH]c3cc21 ZINC000586949646 KK Annotated Clean CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586949657 KK Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586949658 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc21 ZINC000586949665 KK Annotated Clean COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)ccc1Cl ZINC000586949671 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccnc(Cl)c3[nH]2)ccc1Cl ZINC000586949676 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccccc4Oc4ccccc4)cc3)nc12 ZINC000586949679 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc(C)c3[nH]2)ccc1Cl ZINC000586949680 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 ZINC000586949683 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586949685 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586949687 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586949689 KK Annotated Bother O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586949698 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586949699 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586949714 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586949718 KK Annotated Reactive CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586949726 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 ZINC000586949727 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl ZINC000586949735 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)Nc4cc(Br)ccc4OC)c3)[nH]c2cc1Br ZINC000586949737 KK Annotated Mild COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1Cl ZINC000586949740 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)ccc1Cl ZINC000586949742 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586949743 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000586949748 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586949749 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(F)c(F)c3[nH]2)ccc1Cl ZINC000586949750 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586949754 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586949758 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(I)cccc3[nH]2)cc1 ZINC000586949759 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 ZINC000586949765 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586949768 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(Br)c(C)c3[nH]2)ccc1Cl ZINC000586949770 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586949771 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 ZINC000586949773 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586949775 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(F)cc(F)c3[nH]2)ccc1Cl ZINC000586949776 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(OC)c(OC)cc3NS(=O)(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000586949777 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccnc(Br)c3[nH]2)ccc1Cl ZINC000586949778 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1Cl ZINC000586949780 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1Cl ZINC000586949783 KK Annotated Bother CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586949789 KK Annotated Clean COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3ccc(C#N)cc3[nH]2)ccc1Cl ZINC000586949791 KK Annotated Mild COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Cl ZINC000586949792 KK Annotated Anodyne COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000586949794 KK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586949812 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000586949822 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3cc21 ZINC000586949823 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1C ZINC000586949839 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949842 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586949845 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949857 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccccc3NS(C)(=O)=O)[nH]c21 ZINC000586949867 KK Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949874 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 ZINC000586949921 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c(F)c1Nc1ccccc1 ZINC000586949947 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586949949 KK Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586949989 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4NS(C)(=O)=O)[nH]c3cc21 ZINC000586949997 KK Annotated Clean CS(=O)(=O)Nc1ccccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586950008 KK Annotated Reactive O=S(=O)(Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950015 KK Annotated Reactive O=S(=O)(Nc1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950017 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950051 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3cc21 ZINC000586950073 KK Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950077 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586950082 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccccc4NS(=O)(=O)c4ccc5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000586950088 KK Annotated Clean Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2)c(C)c1C ZINC000586950112 KK Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950114 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)c3c2)cc1 ZINC000586950125 KK Annotated Bother CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586950133 KK Annotated Reactive CCCCCCCCOc1cc2nc(Cc3ccccc3NS(C)(=O)=O)[nH]c2cc1Br ZINC000586950164 KK Annotated Mild CCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586950165 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c21 ZINC000586950213 KK Annotated Clean O=S(=O)(Cc1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950222 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586950226 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cc1Br ZINC000586950229 KK Annotated Anodyne O=S(=O)(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950254 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(NS(=O)(=O)C(C)C)cc4)nc3cc21 ZINC000586950289 KK Annotated Clean O=S(=O)(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950291 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586950306 KK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586950309 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Br)c(O)c5[nH]4)c3c2)cc1 ZINC000586950315 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950323 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3cc21 ZINC000586950377 KK Annotated Clean Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)c(C)c1C ZINC000586950400 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c21 ZINC000586950404 KK Annotated Clean O=S(=O)(Nc1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950406 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc21 ZINC000586950412 KK Annotated Clean Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)c(C)c1C ZINC000586950422 KK Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950444 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)c(C)c1C ZINC000586950463 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950509 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950541 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c2cc1Br ZINC000586950543 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)c(C)c1C ZINC000586950581 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc2c(c1)OCCO2 ZINC000586950582 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(NS(C)(=O)=O)cc3)nc21 ZINC000586950601 KK Annotated Clean O=S(=O)(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950633 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(Br)ccc(Br)c5[nH]4)c3c2)cc1 ZINC000586950638 KK Annotated Anodyne CCCCOc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586950640 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950645 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C#N)cc(Br)c5[nH]4)c3c2)cc1 ZINC000586950649 KK Annotated Mild O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950658 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)c(C)c1C ZINC000586950661 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C#N)cc(Cl)c5[nH]4)c3c2)cc1 ZINC000586950662 KK Annotated Mild CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586950674 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c2cc1Br ZINC000586950684 KK Annotated Anodyne CCCCCOc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586950686 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)c3c2)cc1 ZINC000586950688 KK Annotated Bother O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 ZINC000586950701 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(S(=O)(=O)NC6CC6)ccc5Br)[nH]c4c3)o2)cc1 ZINC000586950733 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(NS(C)(=O)=O)nc4C)[nH]c3cc21 ZINC000586950737 KK Annotated Clean Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)c(C)c1C ZINC000586950740 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)c(C)c1C ZINC000586950764 KK Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OCCC(C)C)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586950887 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)c(Br)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950890 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)c3c2)cc1 ZINC000586950904 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(NS(=O)(=O)c4c(C)c(C)c(C)c(C)c4C)cc3)nc21 ZINC000586950908 KK Annotated Clean CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OCC(C)C)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586950914 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(=O)OC)cc(Cl)c5[nH]4)c3c2)cc1 ZINC000586950920 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(Br)cnc(Br)c5[nH]4)c3c2)cc1 ZINC000586950929 KK Annotated Anodyne O=S(=O)(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950935 KK Annotated Anodyne CC(C)COc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586950946 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586950948 KK Annotated Mild Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c(C)c1C ZINC000586950950 KK Annotated Anodyne CC(C)Oc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586950955 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OC(C)C)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586950963 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3c2)cc1 ZINC000586950969 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586950972 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)c(C)c(C)c5[nH]4)c3c2)cc1 ZINC000586950983 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(=O)OC)cc(Br)c5[nH]4)c3c2)cc1 ZINC000586950985 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)c(C)c1C ZINC000586950991 KK Annotated Bother Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)c(C)c1C ZINC000586950996 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)c(C)c1C ZINC000586951037 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Br ZINC000586951057 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c21 ZINC000586951083 KK Annotated Clean COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586951178 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)c(C)c1C ZINC000586951185 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c(C)c1C ZINC000586951193 KK Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C)cc(Br)c5[nH]4)c3c2)cc1 ZINC000586951195 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951210 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Br ZINC000586951214 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951216 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(Cl)c(Br)cnc5[nH]4)c3c2)cc1 ZINC000586951219 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(Br)cnc(Cl)c5[nH]4)c3c2)cc1 ZINC000586951220 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c2cc1Br ZINC000586951237 KK Annotated Anodyne CC(C)CCOc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586951245 KK Annotated Anodyne CCCOc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1Br ZINC000586951253 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(NS(C)(=O)=O)cc4)nc3cc21 ZINC000586951264 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c2cc1Br ZINC000586951282 KK Annotated Mild Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)c(C)c1C ZINC000586951288 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)c3c2)cc1 ZINC000586951290 KK Annotated Bother O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 ZINC000586951295 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)c(C)c1C ZINC000586951297 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951304 KK Annotated Anodyne O=S(=O)(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951319 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)c(C)c1C ZINC000586951337 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586951338 KK Annotated Anodyne Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)c(C)c1C ZINC000586951357 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 ZINC000586951404 KK Annotated Anodyne Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586951410 KK Annotated Reactive O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000586951435 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000586951441 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586951442 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)Nc4ccc(N5CCCCC5)cc4)[nH]c3cc21 ZINC000586951459 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(Br)c5[nH]4)c3c2)cc1 ZINC000586951470 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586951477 KK Annotated Bother O=S(=O)(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 ZINC000586951479 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(C)cnc(Cl)c5[nH]4)c3c2)cc1 ZINC000586951519 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c3cc21 ZINC000586951521 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586951525 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000586951538 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(C)c(Br)cnc5[nH]4)c3c2)cc1 ZINC000586951541 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(NS(=O)(=O)c5c(C)c(C)c(C)c(C)c5C)cc4)nc3cc21 ZINC000586951555 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)nc2c1 ZINC000586951556 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)cc(C(=O)O)c5[nH]4)c3c2)cc1 ZINC000586951558 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)c(C)nc5[nH]4)c3c2)cc1 ZINC000586951560 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CS(=O)(=O)Nc5ccc(N6CCCCC6)cc5)[nH]c4c3)o2)cc1 ZINC000586951566 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Br)c(C)c5[nH]4)c3c2)cc1 ZINC000586951581 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586951589 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)NC5CC5)ccc4Br)[nH]c3cc21 ZINC000586951601 KK Annotated Clean CC(C)COc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Br ZINC000586951623 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586951635 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Br ZINC000586951674 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c21 ZINC000586951687 KK Annotated Clean O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586951693 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586951703 KK Annotated Reactive CCCCCOc1cc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2cc1Br ZINC000586951746 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 ZINC000586951800 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 ZINC000586951801 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OC)c(C)cc5[nH]4)c3c2)cc1 ZINC000586951802 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586951808 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586951809 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586951821 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586951822 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586951823 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586951824 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586951829 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586951830 KK Annotated Anodyne CCCCOc1cc2nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586951831 KK Annotated Anodyne CCCCOc1cc2nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586951832 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(-c6nnc(-c7ccc(OC)cc7)o6)cc5[nH]4)c3c2)cc1 ZINC000586951844 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586951847 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c6cccnc6c6ncccc6c5[nH]4)c3c2)cc1 ZINC000586951855 KK Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)c3c2)cc1 ZINC000586951856 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)ncc5[nH]4)c3c2)cc1 ZINC000586951866 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)c3c2)cc1 ZINC000586951867 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000586951869 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc1 ZINC000586951870 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951876 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951879 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951889 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951897 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586951902 KK Annotated Mild Nc1ccc(Oc2ccc3nc([C@H](CNC(=O)OCC4c5ccccc5-c5ccccc54)NS(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586951903 KK Annotated Clean CC(C)(C)c1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2n1 ZINC000586951907 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586951909 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586951910 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951920 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586951921 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586951925 KK Annotated Anodyne C=CCc1cccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586951926 KK Annotated Mild O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951933 KK Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CC1 ZINC000586951934 KK Annotated Clean Cc1cnc(Cl)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc12 ZINC000586951944 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951948 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586951952 KK Annotated Anodyne Cc1ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586951953 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CNC(=O)OCC5c6ccccc6-c6ccccc65)NS(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586951959 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951966 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951993 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951994 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586951995 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cc1 ZINC000586952002 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cc1 ZINC000586952004 KK Annotated Clean CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc6c(cc5[nH]4)OC(F)(F)O6)c3c2)cc1 ZINC000586952014 KK Annotated Anodyne CCCOc1cc2nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586952017 KK Annotated Anodyne CCCOc1cc2nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586952021 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586952044 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)c3c2)cc1 ZINC000586952055 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)Nc4cc(S(=O)(=O)Nc5ccc(OC)cc5)ccc4N4CCOCC4)[nH]c3cc21 ZINC000586952080 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)Nc4cc(S(=O)(=O)Nc5ccc(OC)cc5)ccc4N4CCOCC4)[nH]c3cc21 ZINC000586952082 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c2)cc1 ZINC000586952088 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c2)cc1 ZINC000586952090 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(OC(F)(F)F)cc5[nH]4)c3c2)cc1 ZINC000586952108 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CS(=O)(=O)NC4CCC(C)CC4)[nH]c3cc21 ZINC000586952132 KK Annotated Clean Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586952133 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc6c(cc5[nH]4)C4(OC6=O)c5ccc(OC(C)=O)cc5Oc5cc(OC(C)=O)ccc54)c3c2)cc1 ZINC000586952137 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000586952165 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c2)cc1 ZINC000586952190 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c2)cc1 ZINC000586952193 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586952241 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586952242 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586952254 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952257 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952263 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952266 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586952267 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952271 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952272 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952276 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952279 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CNC(=O)OCC4c5ccccc5-c5ccccc54)NS(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586952286 KK Annotated Clean COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Br)c(OC(C)C)cc5[nH]4)[nH]c23)cc1 ZINC000586952287 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586952293 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc4cccc(NS(=O)(=O)c5ccc(OC)cc5)c4[nH]3)nc2cc1Br ZINC000586952296 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CNC(=O)OCC4c5ccccc5-c5ccccc54)NS(=O)(=O)c4ccccc4)[nH]c32)n1 ZINC000586952302 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc6c(cc5[nH]4)C(=O)OC64c5ccc(OC(C)=O)cc5Oc5cc(OC(C)=O)ccc54)[nH]c23)cc1 ZINC000586952308 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952323 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952325 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc1-2 ZINC000586952332 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952340 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Br)c(OCC(C)C)cc5[nH]4)[nH]c23)cc1 ZINC000586952346 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952347 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc12 ZINC000586952359 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sccc5S(=O)(=O)Nc5cccnc5)[nH]c4c3)o2)cc1 ZINC000586952369 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586952371 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2c1C ZINC000586952386 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586952402 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Br)c(OCCC(C)C)cc5[nH]4)[nH]c23)cc1 ZINC000586952411 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586952413 KK Annotated Mild O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952419 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952425 KK Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586952426 KK Annotated Reactive O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586952433 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc4cccc(NS(=O)(=O)c5ccc(OC)cc5)c4[nH]3)nc21 ZINC000586952468 KK Annotated Clean Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586952500 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc4cccc(NS(=O)(=O)c5ccc(OC)cc5)c4[nH]3)nc2cc1Br ZINC000586952501 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c5ccc(C)cc5)[nH]c4c3)o2)cc1 ZINC000586952503 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C#N)c(C(F)(F)F)cc5[nH]4)c3c2)cc1 ZINC000586952509 KK Annotated Mild COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Cl)ncc(Br)c5[nH]4)[nH]c23)cc1 ZINC000586952522 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000586952525 KK Annotated Clean CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586952526 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Br ZINC000586952527 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cnc6ccccc6c5[nH]4)c3c2)cc1 ZINC000586952541 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952553 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952554 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)cc1 ZINC000586952556 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(OCc5ccccc5)cc4[nH]3)c2)cc1 ZINC000586952560 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cc1 ZINC000586952565 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)cc1 ZINC000586952567 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(F)cc(C(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586952585 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc6nc7ccccc7nc6cc5[nH]4)c3c2)cc1 ZINC000586952588 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 ZINC000586952591 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc1 ZINC000586952593 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5[nH]c(-c6nn(Cc7ccccc7F)c7ncccc67)nc(N)c-5n4)c3c2)cc1 ZINC000586952600 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586952603 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)cc1 ZINC000586952605 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c3c2)cc1 ZINC000586952606 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952618 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 ZINC000586952619 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2)cc1 ZINC000586952621 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2)cc1 ZINC000586952625 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)cc1 ZINC000586952628 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(C(C)(C)C)cc4[nH]3)c2)cc1 ZINC000586952631 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(S(=O)(=O)Nc6cccc(C(F)(F)F)c6)cc5[nH]4)c3c2)cc1 ZINC000586952632 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(C(C)(C)C)c4[nH]3)c2)cc1 ZINC000586952654 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(C(C)(C)C)c4[nH]3)c2)cc1 ZINC000586952655 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952657 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586952661 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952670 KK Annotated Bother Cc1nc2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2cc1Br ZINC000586952671 KK Annotated Anodyne CCCS(=O)(=O)N1CCC(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CC1 ZINC000586952674 KK Annotated Clean Cc1cc(F)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586952675 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952677 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952683 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952691 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c21 ZINC000586952693 KK Annotated Clean O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952700 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952705 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952706 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952708 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5nc(-c6nn(Cc7ccccc7F)c7ncccc67)nc(N)c5[nH]4)[nH]c23)cc1 ZINC000586952709 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952714 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586952720 KK Annotated Mild O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952724 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952729 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586952730 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Br)c(OC(F)(F)F)cc5[nH]4)[nH]c23)cc1 ZINC000586952736 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c2cc1Br ZINC000586952740 KK Annotated Mild COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(C(F)(F)F)c(C#N)cc5[nH]4)[nH]c23)cc1 ZINC000586952749 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3cc21 ZINC000586952752 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952756 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586952760 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586952771 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3cc21 ZINC000586952775 KK Annotated Clean O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952789 KK Annotated Anodyne O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000586952790 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952794 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CNC(=O)OCC4c5ccccc5-c5ccccc54)NS(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586952804 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952807 KK Annotated Anodyne CC1CCC(NS(=O)(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586952809 KK Annotated Reactive COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(C(=O)O)c(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)cc5[nH]4)[nH]c23)cc1 ZINC000586952811 KK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586952826 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952827 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952828 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952836 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)[nH]c23)cc1 ZINC000586952855 KK Annotated Reactive O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586952857 KK Annotated Bother COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586952874 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)c3c2)cc1 ZINC000586952896 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 ZINC000586952924 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc1 ZINC000586952927 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(OC(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586952947 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 ZINC000586952972 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc1 ZINC000586952975 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Br)c(F)c5[nH]4)c3c2)cc1 ZINC000586952980 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc6nc(C)ccc6c5[nH]4)c3c2)cc1 ZINC000586952995 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000586953004 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586953006 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586953007 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)cc5[nH]4)c3c2)cc1 ZINC000586953014 KK Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc6c(cc5[nH]4)C4(OC6=O)c5ccc(N(CC)CC)cc5Oc5cc(N(CC)CC)ccc54)c3c2)cc1 ZINC000586953035 KK Annotated Clean CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc6ncccc6c5[nH]4)c3c2)cc1 ZINC000586953040 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586953055 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2cc1Br ZINC000586953056 KK Annotated Mild CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)c3c2)cc1 ZINC000586953069 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(-n6cccn6)c(F)cc5[nH]4)c3c2)cc1 ZINC000586953077 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000586953087 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000586953089 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(OCc6ccccc6)c5[nH]4)c3c2)cc1 ZINC000586953096 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953145 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953176 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586953178 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953184 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953187 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CNC(=O)OCC4c5ccccc5-c5ccccc54)NS(=O)(=O)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586953193 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586953197 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953199 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953205 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586953212 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953240 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953250 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(F)c(Br)ccc5[nH]4)[nH]c23)cc1 ZINC000586953264 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586953272 KK Annotated Mild O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953289 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CS(=O)(=O)NC3CCC(C)CC3)[nH]c21 ZINC000586953290 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c21 ZINC000586953305 KK Annotated Clean Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586953309 KK Annotated Reactive O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 ZINC000586953310 KK Annotated Anodyne CCCOc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586953312 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586953313 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586953321 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)OCC1c2ccccc2-c2ccccc21 ZINC000586953323 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Br)cc(C#N)cc5[nH]4)[nH]c23)cc1 ZINC000586953331 KK Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586953339 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586953350 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953354 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953364 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5cccc(NS(=O)(=O)c6ccc(OC)cc6)c5[nH]4)nc3cc21 ZINC000586953375 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3cc4cccc(NS(=O)(=O)c5ccc(OC)cc5)c4[nH]3)nc2cc1Br ZINC000586953393 KK Annotated Mild COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(F)cc(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586953396 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586953413 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586953428 KK Annotated Bother O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586953456 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586953460 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586953462 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 ZINC000586953470 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)cc(Cl)c4[nH]3)c2)cc1 ZINC000586953472 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586953473 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)cc1 ZINC000586953480 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)cc1 ZINC000586953482 KK Annotated Anodyne CC(C)COc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1Br ZINC000586953502 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cc1 ZINC000586953505 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cc1 ZINC000586953506 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586953513 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c2)cc1 ZINC000586953514 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)c(F)c(F)c5[nH]4)c3c2)cc1 ZINC000586953519 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(I)c5[nH]4)c3c2)cc1 ZINC000586953520 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(S(=O)(=O)Nc6ccccc6OC)cc5[nH]4)c3c2)cc1 ZINC000586953521 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)c3c2)cc1 ZINC000586953529 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586953553 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)c3c2)cc1 ZINC000586953556 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953565 KK Annotated Bother Cc1ccc(C)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc12 ZINC000586953572 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c12 ZINC000586953594 KK Annotated Mild CC(C)CCOc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586953603 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586953609 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000586953635 KK Annotated Clean O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953637 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586953639 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953642 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Br)cc(S(F)(F)(F)(F)F)cc5[nH]4)[nH]c23)cc1 ZINC000586953663 KK Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)nc2c1 ZINC000586953665 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953674 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586953678 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953679 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Cl)ncc(I)c5[nH]4)[nH]c23)cc1 ZINC000586953692 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586953693 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586953695 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953698 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586953700 KK Annotated Bother O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000586953701 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953710 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Cl)c(OC(F)(F)F)cc5[nH]4)[nH]c23)cc1 ZINC000586953725 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953732 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CNC(=O)OC(C)(C)C)NS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586953743 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953751 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3CCN(S(=O)(=O)CCC)CC3)[nH]c2cc1Br ZINC000586953754 KK Annotated Mild O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953761 KK Annotated Anodyne N#Cc1cc2nc([C@H](CNC(=O)OCC3c4ccccc4-c4ccccc43)NS(=O)(=O)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000586953768 KK Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586953773 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(S(=O)(=O)Nc6c(C)n(C)n(-c7ccccc7)c6=O)ccc5[nH]4)[nH]c23)cc1 ZINC000586953789 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953791 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953793 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586953809 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953811 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953813 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Cl)cc(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586953816 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953818 KK Annotated Anodyne O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586953820 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(Br)c(OCc6ccccc6)cc5[nH]4)[nH]c23)cc1 ZINC000586953821 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(F)c(F)c(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586953833 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3c2)cc1 ZINC000586953848 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(S(=O)(=O)Nc6c(C)n(C)n(-c7ccccc7)c6=O)cc5[nH]4)c3c2)cc1 ZINC000586953850 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c3c2)cc1 ZINC000586953861 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 ZINC000586953864 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2)cc1 ZINC000586953866 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cc1 ZINC000586953880 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cc1 ZINC000586953882 KK Annotated Bother CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(=O)OC)c(Nc6ccccc6)c(F)c5[nH]4)c3c2)cc1 ZINC000586953894 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c6ccccc6c6ccccc6c5[nH]4)c3c2)cc1 ZINC000586953902 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)c2)cc1 ZINC000586953907 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)c2)cc1 ZINC000586953908 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/C(=O)Nc4cc(S(=O)(=O)Nc5ccc(OC)cc5)ccc4N4CCOCC4)[nH]c3c2)cc1 ZINC000586953911 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\C(=O)Nc4cc(S(=O)(=O)Nc5ccc(OC)cc5)ccc4N4CCOCC4)[nH]c3c2)cc1 ZINC000586953912 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5c(I)cnc(Cl)c5[nH]4)c3c2)cc1 ZINC000586953922 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)c3c2)cc1 ZINC000586953924 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586953925 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586953926 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586953928 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586953929 KK Annotated Reactive CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Sc6ccccc6)cc5[nH]4)c3c2)cc1 ZINC000586953933 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3c2)cc1 ZINC000586953935 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586953940 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586953941 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586953942 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c21 ZINC000586953950 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c21 ZINC000586953951 KK Annotated Clean COC(=O)c1cc2nc(/C=C/C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586953953 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\C(=O)Nc3cc(S(=O)(=O)Nc4ccc(OC)cc4)ccc3N3CCOCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586953954 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5ncc(Br)c(Cl)c5[nH]4)[nH]c23)cc1 ZINC000586953960 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 ZINC000586953967 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586953981 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(F)c(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586953999 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2cc1Br ZINC000586954004 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c21 ZINC000586954011 KK Annotated Clean COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(OC(F)(F)F)cc(Br)cc5[nH]4)[nH]c23)cc1 ZINC000586954026 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc4cccc(NS(=O)(=O)c5ccc(OC)cc5)c4[nH]3)nc2cc1Br ZINC000586954037 KK Annotated Anodyne O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586954057 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cc1 ZINC000586954071 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2)cc1 ZINC000586954072 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(OC(C)C)cc5[nH]4)c3c2)cc1 ZINC000586954076 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 ZINC000586954077 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc1 ZINC000586954078 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(C(=O)Nc6ccc(CCN7CCN(C)CC7)cc6)cc5[nH]4)c3c2)cc1 ZINC000586954082 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(C(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586954083 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc6c(c5[nH]4)C(=O)OC64c5ccc(N(CC)CC)cc5Oc5cc(N(CC)CC)ccc54)c3c2)cc1 ZINC000586954090 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000586954091 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)cc1 ZINC000586954092 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 ZINC000586954093 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2)cc1 ZINC000586954094 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(SC(F)(F)F)cc5[nH]4)c3c2)cc1 ZINC000586954101 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586954120 KK Annotated Anodyne CC(C)Oc1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2cc1Br ZINC000586954122 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc1 ZINC000586954123 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(C(C)(C)C)cc5[nH]4)c3c2)cc1 ZINC000586954130 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586954131 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 ZINC000586954134 KK Annotated Reactive C=CCc1cccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)Nc5ccc(OCC)cc5)cc34)[nH]c12 ZINC000586954135 KK Annotated Mild O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586954140 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Oc6ccc(N)cc6)cc5[nH]4)c3c2)cc1 ZINC000586954142 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c2)cc1 ZINC000586954152 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c2)cc1 ZINC000586954153 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc6c(c5[nH]4)CCCC6)c3c2)cc1 ZINC000586954154 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cccc(C(=O)Nc6ccc(F)c(C(F)(F)F)c6)c5[nH]4)c3c2)cc1 ZINC000586954159 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 ZINC000586954166 KK Annotated Reactive CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(C(F)(F)F)cnc5[nH]4)c3c2)cc1 ZINC000586954169 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc1-2 ZINC000586954170 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)c3c2)cc1 ZINC000586954174 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(SC)cc5[nH]4)c3c2)cc1 ZINC000586954175 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000586954192 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c21 ZINC000586954218 KK Annotated Clean O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586954244 KK Annotated Reactive O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000586954255 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586954261 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586954267 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000586954268 KK Annotated Anodyne COC(=O)c1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586954272 KK Annotated Anodyne CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(Oc6ccc(C(=O)OC)cc6)cc5[nH]4)c3c2)cc1 ZINC000586954291 KK Annotated Anodyne COC(=O)c1cc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586954303 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586954308 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CC2)cc1 ZINC000586954327 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954361 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)cc1 ZINC000586954380 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2)cc1 ZINC000586954383 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586954389 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)cc1 ZINC000586954393 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000586954395 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)c(C)c(C)c4[nH]3)c2)cc1 ZINC000586954406 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(Br)c(Br)cc4[nH]3)c2)cc1 ZINC000586954420 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4cc(Br)c(Br)cc4[nH]3)c2)cc1 ZINC000586954421 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586954428 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CC2)cc1 ZINC000586954445 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CC2)cc1 ZINC000586954453 KK Annotated Bother O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954466 KK Annotated Anodyne N#Cc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1C(F)(F)F ZINC000586954478 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c3cc21 ZINC000586954482 KK Annotated Clean CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CC2)cc1 ZINC000586954505 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586954535 KK Annotated Bother CC(C)Oc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cc1Br ZINC000586954551 KK Annotated Anodyne Cc1nc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2cc1Br ZINC000586954580 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586954583 KK Annotated Bother CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586954584 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000586954588 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586954598 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)NC)CC4)[nH]c3cc21 ZINC000586954599 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586954609 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954612 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954615 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954625 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1 ZINC000586954629 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586954635 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 ZINC000586954659 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CC2)cc1 ZINC000586954661 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000586954667 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Br)ccc(Br)c4[nH]3)CC2)cc1 ZINC000586954694 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CC2)cc1 ZINC000586954701 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)cc1 ZINC000586954707 KK Annotated Reactive Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)cc1 ZINC000586954713 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586954726 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000586954739 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)cc1 ZINC000586954751 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954752 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586954832 KK Annotated Mild CCCCCCCCOc1cc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2cc1Br ZINC000586954837 KK Annotated Mild CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CC2)cc1 ZINC000586954908 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954931 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586954941 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586954955 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(C(=O)NC5CCN(S(C)(=O)=O)CC5)CC4)[nH]c3cc21 ZINC000586954976 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c21 ZINC000586954981 KK Annotated Clean O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000586954987 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000586954989 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c21 ZINC000586955021 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(C5CCN(S(=O)(=O)c6ccc7ccccc7c6)CC5)[nH]c4c3)o2)cc1 ZINC000586955055 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CC2)cc1 ZINC000586955082 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000586955091 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)CC2)cc1 ZINC000586955098 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000586955102 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)[nH]c3cc21 ZINC000586955113 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c21 ZINC000586955116 KK Annotated Clean O=S(=O)(c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955144 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955147 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CC2)cc1 ZINC000586955176 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4N)CCN(S(C)(=O)=O)C5)[nH]c3cc21 ZINC000586955178 KK Annotated Clean O=S(=O)(c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955194 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CC2)cc1 ZINC000586955208 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586955214 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955228 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)c(Br)cc4[nH]3)CC2)cc1 ZINC000586955238 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586955253 KK Annotated Mild CC(C)COc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586955264 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955270 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(Br)c(O)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955271 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)[nH]c3cc21 ZINC000586955305 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586955309 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c21 ZINC000586955322 KK Annotated Clean O=S(=O)(c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955329 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br ZINC000586955335 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3cc21 ZINC000586955340 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3c2)cc1 ZINC000586955417 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 ZINC000586955420 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000586955434 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)c5ccc6ccccc6c5)CC4)[nH]c3cc21 ZINC000586955454 KK Annotated Anodyne O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000586955460 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955487 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CC2)cc1 ZINC000586955494 KK Annotated Clean CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955505 KK Annotated Reactive CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586955530 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CC2)cc1 ZINC000586955555 KK Annotated Bother Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586955592 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CC2)cc1 ZINC000586955594 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c3c2)cc1 ZINC000586955597 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)CC2)cc1 ZINC000586955603 KK Annotated Anodyne CCCCOc1cc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2cc1Br ZINC000586955623 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955630 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586955646 KK Annotated Bother CCCCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586955647 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Cl)N1CCc2ccccc21 ZINC000586955703 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cc1Br ZINC000586955726 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955735 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586955744 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586955754 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955774 KK Annotated Reactive CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(Br)cnc(Br)c4[nH]3)CC2)cc1 ZINC000586955775 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c3cc21 ZINC000586955778 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5CCN(S(=O)(=O)c6ccc(C(C)C)cc6)CC5)[nH]c4c3)o2)cc1 ZINC000586955792 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586955807 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5CCN(S(=O)(=O)c6ccc(C)cc6)CC5)[nH]c4c3)o2)cc1 ZINC000586955817 KK Annotated Anodyne COC(=O)c1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586955818 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CC2)cc1 ZINC000586955858 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc2c1 ZINC000586955880 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c21 ZINC000586955884 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)[nH]c3cc21 ZINC000586955886 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C4CCN(S(=O)(=O)c5ccc(C(C)C)cc5)CC4)[nH]c3c2)cc1 ZINC000586955896 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955910 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 ZINC000586955920 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955929 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955931 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1C ZINC000586955933 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586955934 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586955935 KK Annotated Bother O=S(=O)(c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955936 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 ZINC000586955938 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955947 KK Annotated Anodyne CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2N)C1 ZINC000586955955 KK Annotated Reactive O=S(=O)(c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586955991 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2c1 ZINC000586955996 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c21 ZINC000586956002 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c21 ZINC000586956040 KK Annotated Clean O=S(=O)(c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956047 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)[nH]c3cc21 ZINC000586956048 KK Annotated Clean O=S(=O)(c1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1)N1CCC1 ZINC000586956140 KK Annotated Reactive CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)CC1 ZINC000586956171 KK Annotated Reactive O=S(=O)(c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956230 KK Annotated Reactive COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586956240 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2c1 ZINC000586956245 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586956256 KK Annotated Reactive O=S(=O)(c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956258 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(I)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956259 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)N5CCc6ccccc65)ccc4OC)[nH]c3cc21 ZINC000586956269 KK Annotated Clean COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586956288 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586956291 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956295 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586956304 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586956306 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586956308 KK Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586956324 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586956331 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586956357 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586956362 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586956365 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c21 ZINC000586956367 KK Annotated Clean COC(=O)c1cc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000586956368 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586956383 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Cl)c(S(=O)(=O)N6CCc7ccccc76)c5)[nH]c4c3)o2)cc1 ZINC000586956386 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586956397 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586956401 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)[nH]c3c2)cc1N ZINC000586956407 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586956410 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586956417 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586956447 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586956461 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586956472 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)[nH]c3cc21 ZINC000586956481 KK Annotated Clean COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586956526 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956543 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c21 ZINC000586956556 KK Annotated Clean COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586956562 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586956572 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586956605 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cccc(I)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956626 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586956631 KK Annotated Clean COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586956639 KK Annotated Reactive COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586956642 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586956645 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(S(=O)(=O)N5CCc6ccccc65)ccc4OC)[nH]c3c2)cc1 ZINC000586956663 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)N5CCc6ccccc65)c4)[nH]c3cc21 ZINC000586956685 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586956699 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc1-2 ZINC000586956753 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586956833 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586956834 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c21 ZINC000586956838 KK Annotated Clean O=S(=O)(c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956845 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956846 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956861 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586956868 KK Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586956871 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586956877 KK Annotated Bother COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586956885 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586956890 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586956892 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956902 KK Annotated Anodyne O=S(=O)(c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Cl)N1CCc2ccccc21 ZINC000586956906 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(OC)c(S(=O)(=O)N5CCOCC5)c4)[nH]c3cc21 ZINC000586957016 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c21 ZINC000586957297 KK Annotated Clean COc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 ZINC000586957313 KK Annotated Reactive CC(C)CCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586957455 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586957456 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586957457 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586957458 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957460 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957461 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957462 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586957463 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc1-2 ZINC000586957476 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc1-2 ZINC000586957477 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc1-2 ZINC000586957478 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc1-2 ZINC000586957479 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COCCOCCOS(=O)(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000586957543 KK Annotated Mild Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586957547 KK Annotated Reactive O=[S@](CCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586957628 KK Annotated Reactive O=[S@@](CCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586957629 KK Annotated Reactive COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586957636 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586957642 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586957645 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586957646 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586957669 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586957674 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586957675 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586957678 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)nc1-2 ZINC000586957688 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)nc1-2 ZINC000586957691 KK Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957695 KK Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957696 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c21 ZINC000586957705 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(CCC[S@](=O)c5ccc(Br)cc5)[nH]c4c3)o2)cc1 ZINC000586957761 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCC[S@@](=O)c5ccc(Br)cc5)[nH]c4c3)o2)cc1 ZINC000586957763 KK Annotated Anodyne O=[S@@](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957794 KK Annotated Anodyne O=[S@](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586957797 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586957802 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586957808 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586957812 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586957813 KK Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586957816 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c21 ZINC000586957843 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[S@@](=O)CC4CC4)[nH]c3cc21 ZINC000586957851 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[S@](=O)CC4CC4)[nH]c3cc21 ZINC000586957856 KK Annotated Clean Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586957887 KK Annotated Mild O=[S@](Cc1nc2c(I)cnc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958018 KK Annotated Anodyne O=[S@@](Cc1nc2c(I)cnc(Cl)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958028 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586958046 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586958053 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586958057 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586958060 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c21 ZINC000586958061 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c21 ZINC000586958068 KK Annotated Clean O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958095 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958097 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958099 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958102 KK Annotated Anodyne O=[S@](CCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586958119 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586958122 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[S@@](=O)C(c5ccccc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586958129 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958130 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(C[S@](=O)C(c5ccccc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586958131 KK Annotated Anodyne COC(=O)c1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586958132 KK Annotated Anodyne COC(=O)c1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586958133 KK Annotated Anodyne CC(C)Oc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586958134 KK Annotated Anodyne CC(C)Oc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586958135 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958139 KK Annotated Reactive O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958140 KK Annotated Reactive O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958141 KK Annotated Reactive CCCCCCCCOc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586958144 KK Annotated Mild CCCCCCCCOc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586958149 KK Annotated Mild O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586958151 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586958152 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586958154 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586958156 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586958172 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586958173 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000586958178 KK Annotated Anodyne O=[S@@](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958179 KK Annotated Anodyne O=[S@](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958180 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000586958188 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 ZINC000586958202 KK Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2c1)N1CCOCC1 ZINC000586958203 KK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000586958214 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2cc1Br ZINC000586958240 KK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(C)c(Br)cnc3[nH]2)cc1 ZINC000586958333 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000586958340 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000586958361 KK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000586958386 KK Annotated Anodyne C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586958388 KK Annotated Reactive C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586958392 KK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000586958414 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586958428 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000586958450 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cnc3[nH]2)cc1 ZINC000586958451 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000586958499 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc4ccc(OC)cc4)[nH]c3c2)cc1 ZINC000586958501 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000586958504 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(C)nc3[nH]2)cc1 ZINC000586958507 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1 ZINC000586958517 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c21 ZINC000586958554 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c21 ZINC000586958557 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586958627 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586958632 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586958637 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586958640 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958689 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958696 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958697 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586958699 KK Annotated Anodyne O=[S@](Cc1nc2c(Br)cnc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958744 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 ZINC000586958749 KK Annotated Anodyne O=[S@@](Cc1nc2c(Br)cnc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586958750 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958762 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC)c(Cl)cc3[nH]2)cc1 ZINC000586958771 KK Annotated Anodyne O=[S@](CCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586958778 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000586958785 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H]6CCCC[C@H]6N5S(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586958795 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H]6CCCC[C@@H]6N5S(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586958805 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@@H]6CCCC[C@@H]6N5S(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586958808 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000586958811 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H]6CCCC[C@H]6N5S(=O)(=O)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000586958812 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586958834 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2cn1 ZINC000586958861 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSC(C)(C)C(=O)O)[nH]c3cc21 ZINC000586958892 KK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 ZINC000586958903 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)ncc3[nH]2)cc1 ZINC000586958914 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000586958928 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)SCC(=O)O)[nH]c21 ZINC000586958934 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSC(C)(C)C(=O)O)[nH]c3cc21 ZINC000586958957 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC)c(OC)cc3[nH]2)cc1 ZINC000586958972 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586958973 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000586958978 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586958980 KK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1 ZINC000586958988 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000586958990 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000586959000 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1 ZINC000586959001 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586959004 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(I)cnc3[nH]2)cc1 ZINC000586959005 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1 ZINC000586959007 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)nc2c1 ZINC000586959009 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(F)cnc(Br)c3[nH]2)cc1 ZINC000586959011 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000586959013 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)nc2c1 ZINC000586959017 KK Annotated Anodyne O=[S@](Cc1nc2c(Br)ccc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959024 KK Annotated Anodyne O=[S@@](Cc1nc2c(Br)ccc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959025 KK Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586959043 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586959046 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586959055 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586959058 KK Annotated Anodyne O=[S@@](CCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959091 KK Annotated Anodyne O=[S@](CCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959095 KK Annotated Anodyne O=[S@](CCCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959107 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586959116 KK Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586959140 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000586959143 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)cc1 ZINC000586959145 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000586959152 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000586959158 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586959253 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000586959255 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586959275 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586959290 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c1 ZINC000586959296 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)SCC(=O)O)[nH]c3cc21 ZINC000586959300 KK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000586959304 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cncc(Br)c3[nH]2)cc1 ZINC000586959318 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000586959326 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586959344 KK Annotated Anodyne CCCCCOc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586959346 KK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586959352 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586959355 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586959362 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586959368 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586959371 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3cc21 ZINC000586959373 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000586959375 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959377 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1OC ZINC000586959379 KK Annotated Anodyne CCCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2cc1Br ZINC000586959380 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959381 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959384 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959387 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000586959395 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 ZINC000586959411 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000586959427 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc4ccc(OC)cc4)[nH]c3cc21 ZINC000586959431 KK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 ZINC000586959436 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586959440 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000586959444 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000586959446 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c21 ZINC000586959451 KK Annotated Clean O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959452 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959455 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959456 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959457 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000586959459 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000586959467 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000586959480 KK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 ZINC000586959483 KK Annotated Anodyne CCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2cc1Br ZINC000586959493 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000586959498 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)c(O)c3[nH]2)cc1 ZINC000586959500 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586959511 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000586959513 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Br)ccnc3[nH]2)cc1 ZINC000586959525 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586959536 KK Annotated Mild CCCCCCCCOc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586959537 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[S@@](=O)CC3CC3)[nH]c21 ZINC000586959608 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[S@](=O)CC3CC3)[nH]c21 ZINC000586959611 KK Annotated Clean O=[S@](Cc1nc2cc(Br)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959658 KK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586959660 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCC[S@](=O)c5ccc(Br)cc5)[nH]c4c3)cc2)CC1 ZINC000586959661 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c21 ZINC000586959662 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c21 ZINC000586959665 KK Annotated Clean CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCC[S@@](=O)c5ccc(Br)cc5)[nH]c4c3)cc2)CC1 ZINC000586959666 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586959713 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586959721 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 ZINC000586959796 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586959804 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586959807 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586959830 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000586959842 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)SCC(=O)O)[nH]c3cc21 ZINC000586959845 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 ZINC000586959847 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000586959850 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000586959856 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000586959860 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000586959868 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(Br)nc3[nH]2)cc1 ZINC000586959875 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586959879 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586959882 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccnc(Br)c3[nH]2)cc1 ZINC000586959883 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 ZINC000586959884 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586959885 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586959886 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000586959899 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586959903 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSC(C)(C)C(=O)O)[nH]c21 ZINC000586959913 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959919 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959922 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959925 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1 ZINC000586959926 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 ZINC000586959931 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000586959935 KK Annotated Anodyne Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586959941 KK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000586959945 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000586959956 KK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000586959963 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 ZINC000586959991 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(I)c3[nH]2)cc1 ZINC000586960000 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000586960009 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000586960025 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c3cc21 ZINC000586960066 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@](C)(N)c4ccc(S(=O)(=O)O)cc4)[nH]c3cc21 ZINC000586960069 KK Annotated Clean O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960110 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960112 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960114 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960117 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COCCOCCOS(=O)(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000586960141 KK Annotated Mild O=[S@](CCCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960208 KK Annotated Anodyne O=[S@@](CCCc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586960210 KK Annotated Anodyne O=[S@@](CCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960264 KK Annotated Anodyne O=[S@](CCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960266 KK Annotated Anodyne O=[S@](CCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960331 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586960332 KK Annotated Anodyne CCCCCOc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586960365 KK Annotated Anodyne CCCCCOc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586960366 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[S@](=O)C(c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000586960381 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[S@@](=O)C(c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000586960384 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)nc2c1 ZINC000586960390 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000586960398 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2cc1Br ZINC000586960403 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000586960416 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586960423 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586960425 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000586960448 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586960475 KK Annotated Mild C[C@@H](Sc1ncccn1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586960476 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@](C)(N)c3ccc(S(=O)(=O)O)cc3)[nH]c2cc1Br ZINC000586960478 KK Annotated Mild C[C@H](Sc1ncccn1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586960482 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000586960487 KK Annotated Mild COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000586960557 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000586960597 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000586960620 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586960621 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586960625 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586960628 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586960631 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000586960640 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3nc(Br)c[nH]c-3n2)cc1 ZINC000586960651 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000586960653 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000586960663 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 ZINC000586960671 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000586960675 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 ZINC000586960680 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)nc2cc1OC ZINC000586960692 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 ZINC000586960715 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000586960728 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000586960747 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586960787 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586960788 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586960789 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586960790 KK Annotated Anodyne O=[S@@](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960873 KK Annotated Anodyne O=[S@](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960874 KK Annotated Anodyne O=[S@@](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960968 KK Annotated Anodyne O=[S@](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586960970 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Sc3ncccn3)[nH]c21 ZINC000586961064 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Sc3ncccn3)[nH]c21 ZINC000586961065 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586961077 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586961078 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586961079 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c21 ZINC000586961080 KK Annotated Clean CC(C)Oc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961095 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961096 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961097 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961098 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586961110 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586961113 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586961115 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586961117 KK Annotated Bother O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961173 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961174 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961175 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961180 KK Annotated Anodyne COC(=O)c1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586961185 KK Annotated Anodyne COC(=O)c1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586961189 KK Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961194 KK Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961197 KK Annotated Anodyne O=[S@@](CCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961218 KK Annotated Anodyne O=[S@](CCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961223 KK Annotated Anodyne O=[S@](CCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961235 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586961237 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961346 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 ZINC000586961350 KK Annotated Anodyne CCCOc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961355 KK Annotated Anodyne CCCOc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961357 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Sc4nc(N)cc(O)n4)[nH]c3cc21 ZINC000586961358 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Sc4nc(N)cc(O)n4)[nH]c3cc21 ZINC000586961362 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)SCc4ccccc4)[nH]c3cc21 ZINC000586961374 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)SCc4ccccc4)[nH]c3cc21 ZINC000586961375 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)SCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586961396 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)SCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586961397 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961422 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961423 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961425 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961427 KK Annotated Anodyne O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2c1)N1CCOCC1 ZINC000586961444 KK Annotated Reactive CCCCOc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961476 KK Annotated Anodyne CCCCOc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961479 KK Annotated Anodyne CCCCCCCCOc1cc2nc(COCCOCCOS(=O)(=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000586961482 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586961508 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586961509 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586961607 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586961608 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586961610 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586961612 KK Annotated Anodyne O=[S@@](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961621 KK Annotated Reactive O=[S@](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961625 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586961643 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586961647 KK Annotated Anodyne CC(C)COc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961656 KK Annotated Anodyne CC(C)COc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961657 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586961714 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586961716 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586961719 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586961721 KK Annotated Anodyne O=[S@](CCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961723 KK Annotated Anodyne O=[S@@](CCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961725 KK Annotated Anodyne CCCCCOc1cc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961754 KK Annotated Anodyne CCCCCOc1cc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586961764 KK Annotated Anodyne O=[S@](CCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961826 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961828 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961889 KK Annotated Anodyne O=[S@](CCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961899 KK Annotated Anodyne O=[S@@](CCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586961900 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961902 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961905 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc2c1 ZINC000586961907 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961924 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961931 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961933 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cc1Br ZINC000586961935 KK Annotated Anodyne O=[S@@](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961962 KK Annotated Anodyne O=[S@](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(c1ccccc1)c1ccccc1 ZINC000586961963 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC[S@](=O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586961964 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC[S@@](=O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586961965 KK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000586961992 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Sc4ncccn4)[nH]c3cc21 ZINC000586961995 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Sc4ncccn4)[nH]c3cc21 ZINC000586961996 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Sc3nc(N)cc(O)n3)[nH]c21 ZINC000586962010 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Sc3nc(N)cc(O)n3)[nH]c21 ZINC000586962012 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586962025 KK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586962037 KK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586962039 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1 ZINC000586962095 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000586962126 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586962191 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962214 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962215 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962216 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962218 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 ZINC000586962312 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962331 KK Annotated Reactive O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962342 KK Annotated Reactive O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962343 KK Annotated Reactive O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962344 KK Annotated Reactive COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 ZINC000586962364 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586962422 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586962424 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586962427 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4S(=O)(=O)c4ccccc4)[nH]c3c2)cc1 ZINC000586962435 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962476 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962477 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962480 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962482 KK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586962560 KK Annotated Bother CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586962561 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c21 ZINC000586962731 KK Annotated Clean Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Cl ZINC000586962777 KK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586962783 KK Annotated Anodyne C[C@@H](SCc1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586962788 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc1 ZINC000586962803 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 ZINC000586962807 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(O)nc5ccc(S(=O)(=O)N6CCOCC6)cc45)[nH]c3cc21 ZINC000586962818 KK Annotated Clean Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586962823 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000586962841 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000586962846 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000586962849 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000586962854 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1Cl ZINC000586962872 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4ccc(C)cc4C)[nH]c3cc21 ZINC000586962882 KK Annotated Clean COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000586962901 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586962912 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl ZINC000586962916 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(NC(=O)CSc5nccn5C)c4)[nH]c3cc21 ZINC000586962954 KK Annotated Clean CCS(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2c1 ZINC000586963068 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)[nH]c2n1 ZINC000586963089 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2cc1Br ZINC000586963144 KK Annotated Anodyne C[C@H](SCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586963164 KK Annotated Bother C[C@@H](SCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586963169 KK Annotated Bother COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 ZINC000586963196 KK Annotated Anodyne Cc1ccc(SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)c1 ZINC000586963248 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586963306 KK Annotated Reactive Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl ZINC000586963313 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2cc1Br ZINC000586963315 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2cc1Br ZINC000586963349 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Cl ZINC000586963356 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586963426 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CC)Sc3nc(C)cc(O)n3)[nH]c2cc1Br ZINC000586963427 KK Annotated Mild CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586963457 KK Annotated Clean CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586963458 KK Annotated Clean Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Cl ZINC000586963464 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(NC(=O)CSc5nccn5C)c4)[nH]c3cc21 ZINC000586963471 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)nc2c1 ZINC000586963492 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Cl ZINC000586963505 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Cl ZINC000586963524 KK Annotated Clean Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Cl ZINC000586963536 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2cc1Br ZINC000586963542 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl ZINC000586963544 KK Annotated Reactive CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586963626 KK Annotated Clean CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586963627 KK Annotated Clean Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586963706 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl ZINC000586963716 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c1C ZINC000586963758 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Cl ZINC000586963774 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1Cl ZINC000586963782 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Cl ZINC000586963784 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000586963809 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Cl ZINC000586963812 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2cc1Br ZINC000586963821 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 ZINC000586963855 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 ZINC000586963868 KK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586963873 KK Annotated Anodyne CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586963874 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)SCc4ccccc4)[nH]c3cc21 ZINC000586963879 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)SCc4ccccc4)[nH]c3cc21 ZINC000586963880 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)SCc3ccccc3)[nH]c21 ZINC000586963930 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)SCc3ccccc3)[nH]c21 ZINC000586963931 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3ccc(C)cc3C)[nH]c21 ZINC000586963989 KK Annotated Clean Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586964007 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Cl ZINC000586964030 KK Annotated Anodyne Cn1ccnc1SCC(=O)Nc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Cl ZINC000586964035 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](NC(=O)OC(C)(C)C)C(C)(C)SCc3ccc(OC)cc3)nc12 ZINC000586964053 KK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586964060 KK Annotated Reactive CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586964061 KK Annotated Reactive COC(=O)c1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586964145 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Sc4ncccn4)[nH]c3cc21 ZINC000586964166 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Sc4ncccn4)[nH]c3cc21 ZINC000586964167 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Cl)c(NC(=O)CSc4nccn4C)c3)[nH]c2cc1Br ZINC000586964181 KK Annotated Mild Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Cl ZINC000586964182 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 ZINC000586964290 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3c(S)nc(S)nc3[nH]2)cc1 ZINC000586964295 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 ZINC000586964343 KK Annotated Bother CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586964353 KK Annotated Anodyne CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586964355 KK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586964366 KK Annotated Anodyne COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 ZINC000586964438 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4ccccc4C#N)[nH]c3cc21 ZINC000586964464 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3ccccc3C#N)[nH]c21 ZINC000586964472 KK Annotated Mild Cc1ccc(SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)c1 ZINC000586964483 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4ccc(C)cc4C)[nH]c3cc21 ZINC000586964535 KK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586964556 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964596 KK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586964599 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964600 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964616 KK Annotated Bother CC(C)Cn1c(SCc2nc3cccc(C(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964618 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964626 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964633 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964649 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(F)(F)F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964655 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(F)cnc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964668 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c3cc21 ZINC000586964694 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(Cn5ccc(C)n5)n4CC)[nH]c3cc21 ZINC000586964699 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586964710 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964717 KK Annotated Bother CC(C)Cn1c(SCc2nc3c(Br)ccnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964721 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c3cc21 ZINC000586964724 KK Annotated Clean CC(C)Cn1c(SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)nnc1-c1ccc(Cl)cc1Cl ZINC000586964728 KK Annotated Clean CC(C)Cn1c(SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964744 KK Annotated Bother CC(C)Cn1c(SCc2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964746 KK Annotated Mild CC(C)Cn1c(SCc2nc3ccc(OCCN(C)C)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964749 KK Annotated Anodyne CC1=C(c2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000586964759 KK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586964761 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964765 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C#N)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964770 KK Annotated Mild CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)ncc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964771 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964773 KK Annotated Bother CCS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586964775 KK Annotated Anodyne COC(=O)c1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2cc1OC ZINC000586964776 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964781 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(F)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964786 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Br)c(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964790 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)nnc1-c1ccc(Cl)cc1Cl ZINC000586964799 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586964803 KK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586964805 KK Annotated Reactive CCCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586964806 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c21 ZINC000586964807 KK Annotated Clean CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964808 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586964809 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964810 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(OCc4ccccc4)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964812 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964813 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586964871 KK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc(CN5CCOCC5)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586964878 KK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586964886 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)n2C)cc1 ZINC000586964896 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(OC(F)(F)F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964913 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964916 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586964920 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586964923 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964931 KK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1C ZINC000586964936 KK Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Cl ZINC000586964939 KK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2cc1C(F)(F)F ZINC000586964946 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4ccccc4C#N)[nH]c3cc21 ZINC000586964958 KK Annotated Mild CC(C)Cn1c(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964966 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586964974 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)c(Br)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586964976 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586964994 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965005 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Cl)c(Cl)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965013 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586965017 KK Annotated Bother CC(C)Cn1c(SCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965020 KK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965022 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(I)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965026 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Br)c(O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965049 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nnc(-c6ccc(Cl)cc6Cl)n5CC(C)C)[nH]c4c3)o2)cc1 ZINC000586965052 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)c(F)c(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965054 KK Annotated Anodyne CCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586965059 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586965063 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cc1Br ZINC000586965067 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)[nH]c3c2)cc1 ZINC000586965068 KK Annotated Clean CC(C)Cn1c(SCc2nc3cc(Cl)cc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965074 KK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc(Sc5ccccc5)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586965075 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cc1Br ZINC000586965078 KK Annotated Mild CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965093 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c4cccnc4c4ncccc4c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965100 KK Annotated Bother Cc1nc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2cc1Br ZINC000586965104 KK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586965105 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965107 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Cl)c(Br)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965115 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965116 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586965170 KK Annotated Bother Clc1ccc(-c2nnc(SCc3nc4cccc(OCc5ccccc5)c4[nH]3)n2Cc2ccco2)cc1 ZINC000586965183 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2cc1Br ZINC000586965187 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccnc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965194 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965201 KK Annotated Mild CC(C)Cn1c(SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965203 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cncc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965213 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)n2C)cc1 ZINC000586965216 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)c(Cl)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965219 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965220 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965224 KK Annotated Bother FC(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965228 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965238 KK Annotated Anodyne Cc1ccc(SCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)c1 ZINC000586965244 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586965260 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965262 KK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586965275 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965276 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2cc1Br ZINC000586965277 KK Annotated Mild CC(C)Cn1c(SCc2nc3nc(Br)c[nH]c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965278 KK Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c12 ZINC000586965299 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cc(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965300 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(I)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965301 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(-n4cnnn4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965306 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965316 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965320 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965323 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)n2C)cc1 ZINC000586965327 KK Annotated Reactive CCCCCCCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586965336 KK Annotated Mild CC(C)Cn1c(SCc2nc3ccc(F)c(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965338 KK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1OC ZINC000586965340 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c21 ZINC000586965342 KK Annotated Clean CC(C)Cn1c(SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965343 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965345 KK Annotated Anodyne Brc1cnc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586965348 KK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc(OCc5ccccc5)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586965351 KK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4ccc(Oc5ccccc5)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586965362 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4c(cc3[nH]2)OCCCO4)nnc1-c1ccc(Cl)cc1Cl ZINC000586965365 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965372 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965373 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Cl ZINC000586965376 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586965385 KK Annotated Anodyne FC(F)(F)Oc1cccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586965386 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965398 KK Annotated Anodyne CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586965401 KK Annotated Bother CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965407 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965409 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Cl)cnc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965413 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)nnc1-c1ccc(Cl)cc1Cl ZINC000586965414 KK Annotated Anodyne N#Cc1ccccc1SCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586965419 KK Annotated Mild CC(C)Cn1c(SCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965513 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Br)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965516 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)nnc1-c1ccc(Cl)cc1Cl ZINC000586965528 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965531 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)[nH]c3cc21 ZINC000586965536 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc2c1 ZINC000586965541 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586965547 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586965567 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586965568 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 ZINC000586965580 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)c(F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965582 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)nc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965585 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965592 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)c(Cl)nc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965597 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965603 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c4ccccc4c4ccccc4c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965606 KK Annotated Bother CC(C)Cn1c(SCc2nc3ccc(I)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965608 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cccc(OC(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965615 KK Annotated Anodyne CN1CCN(c2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)[nH]c3c2)CC1 ZINC000586965619 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cn1 ZINC000586965622 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Br)cnc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965624 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586965625 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965630 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Br)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965633 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc1-2 ZINC000586965636 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965637 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965641 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c21 ZINC000586965643 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c3c2)cc1 ZINC000586965648 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)O)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965649 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965652 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccc(C)cc5)n4C)[nH]c3cc21 ZINC000586965654 KK Annotated Clean CCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965655 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)cnc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965661 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Cl)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965668 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965673 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cnc(C(F)(F)F)[nH]c-3n2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965677 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965678 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)nc12 ZINC000586965681 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965683 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965688 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965692 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5Cl)n4CC(C)C)[nH]c3c2)cc1 ZINC000586965700 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965713 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Br)cnc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965715 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)ncc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965718 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965741 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)n2C)cc1 ZINC000586965749 KK Annotated Anodyne CC(C)Oc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965751 KK Annotated Anodyne CCCCOc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965753 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(I)cnc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965754 KK Annotated Anodyne CN(C)CCOc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586965755 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2cc1Br ZINC000586965756 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)cc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965758 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3c(Br)ccc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965766 KK Annotated Anodyne Clc1ccc(-c2nnc(SCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)n2Cc2ccco2)cc1 ZINC000586965778 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c21 ZINC000586965779 KK Annotated Clean CC(C)Cn1c(SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965786 KK Annotated Clean Brc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1OCc1ccccc1 ZINC000586965790 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965791 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965798 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965799 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)n2C)cc1 ZINC000586965801 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965814 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965821 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965825 KK Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965827 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccc(C)cc5)n4C)[nH]c3cc21 ZINC000586965832 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965834 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)n2C)cc1 ZINC000586965838 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c12 ZINC000586965841 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965843 KK Annotated Anodyne N#Cc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1C(F)(F)F ZINC000586965846 KK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 ZINC000586965851 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965857 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(Br)c(F)c(F)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965858 KK Annotated Anodyne CC(C)Cn1c(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl ZINC000586965862 KK Annotated Reactive CCOC(=O)Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3CC(C)C)[nH]c2c1 ZINC000586965867 KK Annotated Anodyne Cc1ccc(-c2nnc(SCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)n2C)cc1 ZINC000586965891 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965912 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(CSc5nnc(-c6ccc(C)cc6)n5C)[nH]c4c3)o2)cc1 ZINC000586965927 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)[nH]c3cc21 ZINC000586965936 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccc(Cl)cc5)n4Cc4ccco4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586965938 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586965943 KK Annotated Bother Oc1nc(NCc2ccccc2)c2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc-2[nH]1 ZINC000586965965 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965969 KK Annotated Mild Cc1ccc(-n2cnnc2SCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1Cl ZINC000586965970 KK Annotated Anodyne Brc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586965973 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586965984 KK Annotated Anodyne FC(F)(F)Oc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2c1 ZINC000586965994 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)c1 ZINC000586965996 KK Annotated Anodyne CCCCOc1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586965999 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586966001 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Br)cnc(Br)c3[nH]2)cc1Cl ZINC000586966030 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)nc1-2 ZINC000586966035 KK Annotated Anodyne FC(F)(F)c1cc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)[nH]c2cc1Br ZINC000586966040 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586966053 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nccn4-c4ccc(C)cc4C)[nH]c3c2)cc1 ZINC000586966063 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966064 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)c1 ZINC000586966101 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c21 ZINC000586966102 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966106 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nccn4-c4ccc(C)cc4C)[nH]c3cc21 ZINC000586966110 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(CSc5nccn5-c5ccc(C)cc5C)[nH]c4c3)o2)cc1 ZINC000586966127 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)c1 ZINC000586966136 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)c(Br)cc3[nH]2)cc1Cl ZINC000586966148 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(Br)ccc(Br)c3[nH]2)cc1Cl ZINC000586966155 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c21 ZINC000586966156 KK Annotated Clean FC(F)(F)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cc1Br ZINC000586966176 KK Annotated Anodyne Clc1ncc(I)c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966187 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)c1 ZINC000586966209 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966232 KK Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)n1 ZINC000586966235 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2cc1Br ZINC000586966341 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(CSc5nnc(C6CC6)n5Cc5ccccc5)[nH]c4c3)o2)cc1 ZINC000586966360 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(C)c1 ZINC000586966364 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 ZINC000586966371 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966375 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586966376 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966387 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 ZINC000586966394 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1Cl ZINC000586966420 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586966435 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 ZINC000586966446 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3cc21 ZINC000586966449 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nc(-c5cccnc5)no4)[nH]c3cc21 ZINC000586966476 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c1 ZINC000586966485 KK Annotated Anodyne CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)n1 ZINC000586966500 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)c1 ZINC000586966516 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nccn4-c4ccc(C)cc4C)[nH]c3cc21 ZINC000586966529 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nc(O)cc(O)n4)[nH]c3cc21 ZINC000586966580 KK Annotated Clean Cc1ccc(-n2ccnc2SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C)c1 ZINC000586966679 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)c1 ZINC000586966726 KK Annotated Bother Cc1ccc(-n2ccnc2SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)c1 ZINC000586966778 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1Br ZINC000586966815 KK Annotated Mild CCCCCOc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1Br ZINC000586966844 KK Annotated Anodyne CCc1cc(O)nc(SCc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)n1 ZINC000586966848 KK Annotated Clean FC(F)(F)c1cc(Br)cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966875 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3cc21 ZINC000586966877 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 ZINC000586966879 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3cc21 ZINC000586966883 KK Annotated Clean CCCCOc1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2cc1Br ZINC000586966887 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586966891 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nnc(C5CC5)n4Cc4ccccc4)[nH]c3c2)cc1 ZINC000586967089 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(C)c1 ZINC000586967115 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1Cl ZINC000586967143 KK Annotated Anodyne Cc1ccc(-n2ccnc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1 ZINC000586967145 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 ZINC000586967150 KK Annotated Reactive O=C(O)c1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586967199 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 ZINC000586967280 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nc(O)cc(O)n3)[nH]c21 ZINC000586967300 KK Annotated Clean CCc1cc(O)nc(SCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)n1 ZINC000586967307 KK Annotated Clean CCCCCCCCOc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2cc1Br ZINC000586967359 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nc(-c4cccnc4)no3)[nH]c21 ZINC000586967414 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 ZINC000586967470 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967502 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967503 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)ccc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586967504 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@@H](C)O1 ZINC000586967508 KK Annotated Clean C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@@H](C)O1 ZINC000586967511 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)C[C@H](C)O1 ZINC000586967512 KK Annotated Clean O=C(O)CSc1ncccc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000586967514 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586967515 KK Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586967518 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C=O ZINC000586967519 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586967521 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000586967522 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(I)c3[nH]2)c1C=O ZINC000586967526 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1C=O ZINC000586967548 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Cl ZINC000586967552 KK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)C[C@@H](C)O1 ZINC000586967554 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1C=O ZINC000586967555 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)C[C@H](C)O1 ZINC000586967556 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)C[C@@H](C)O1 ZINC000586967557 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C=O ZINC000586967572 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H](C)O1 ZINC000586967573 KK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967575 KK Annotated Reactive C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586967576 KK Annotated Reactive CC(C)CCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586967587 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586967588 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586967589 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967593 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967595 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586967596 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1Cl ZINC000586967609 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586967610 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586967612 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H](C)O1 ZINC000586967613 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1C=O ZINC000586967617 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H](C)O1 ZINC000586967624 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H](C)O1 ZINC000586967626 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H](C)O1 ZINC000586967627 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nncn4-c4ccc(C)c(Cl)c4)[nH]c3cc21 ZINC000586967651 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1C=O ZINC000586967671 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1C=O ZINC000586967674 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nncn4-c4ccc(C)c(Cl)c4)[nH]c3cc21 ZINC000586967714 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4c(C=O)c(C)nn4Cc4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000586967717 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1C=O ZINC000586967742 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1C=O ZINC000586967752 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c21 ZINC000586967762 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c21 ZINC000586967763 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c21 ZINC000586967764 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586967786 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586967787 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586967788 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586967815 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586967816 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586967817 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586967827 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1C=O ZINC000586967832 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1C=O ZINC000586967835 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586967836 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@H](C)O1 ZINC000586967837 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1C=O ZINC000586967838 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586967839 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C=O ZINC000586967847 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccnc3SCC(=O)O)nc21 ZINC000586967850 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1C=O ZINC000586967861 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c21 ZINC000586967863 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Br)ccc(Br)c3[nH]2)c1C=O ZINC000586967889 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1C=O ZINC000586967890 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1C=O ZINC000586967912 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586967913 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc(Cl)c3[nH]2)c1C=O ZINC000586967918 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nncn4-c4ccc(C)c(Cl)c4)[nH]c3c2)cc1 ZINC000586967930 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1Cl ZINC000586967931 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586967937 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 ZINC000586967940 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1C=O ZINC000586967944 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1C=O ZINC000586967949 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 ZINC000586967952 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967963 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967964 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586967965 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)cnc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586967966 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967967 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586967968 KK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1C ZINC000586967978 KK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c1C ZINC000586967979 KK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1C ZINC000586967980 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586967996 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586967997 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586967998 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586968026 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586968027 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586968028 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(F)c3[nH]2)C[C@@H](C)O1 ZINC000586968043 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(F)c3[nH]2)C[C@@H](C)O1 ZINC000586968044 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(F)c3[nH]2)C[C@H](C)O1 ZINC000586968045 KK Annotated Anodyne CCCCOc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586968066 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1Cl ZINC000586968072 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1C=O ZINC000586968074 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1C=O ZINC000586968077 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C=O ZINC000586968078 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C#N)cc(Br)c3[nH]2)c1C=O ZINC000586968079 KK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C=O ZINC000586968090 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1C=O ZINC000586968091 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4c(C=O)c(C)nn4Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000586968117 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(CSc4c(C=O)c(C)nn4Cc4ccc(Cl)cc4)[nH]c3c2)cc1 ZINC000586968123 KK Annotated Anodyne CCCOc1cc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2cc1Br ZINC000586968125 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1Cl ZINC000586968126 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nncn5-c5ccc(C)c(Cl)c5)[nH]c4c3)o2)cc1 ZINC000586968133 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3ncccc3C(=O)O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586968137 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1C=O ZINC000586968138 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1C=O ZINC000586968171 KK Annotated Clean CCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586968179 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1C=O ZINC000586968180 KK Annotated Anodyne CCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586968181 KK Annotated Anodyne CCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586968182 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1C=O ZINC000586968184 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C=O ZINC000586968214 KK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968220 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968221 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968222 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586968234 KK Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586968235 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000586968236 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H](C)O1 ZINC000586968237 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968238 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H](C)O1 ZINC000586968239 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968242 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968243 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(F)cc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968244 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968251 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968252 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1Cl ZINC000586968291 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968298 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nc5ccccc5nc4N4C[C@@H](C)O[C@H](C)C4)[nH]c3cc21 ZINC000586968308 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@H](C)C4)[nH]c3cc21 ZINC000586968310 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@@H](C)C4)[nH]c3cc21 ZINC000586968311 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(I)c3[nH]2)C[C@H](C)O1 ZINC000586968313 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(I)c3[nH]2)C[C@@H](C)O1 ZINC000586968318 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(I)c3[nH]2)C[C@@H](C)O1 ZINC000586968320 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1Cl ZINC000586968364 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1Cl ZINC000586968370 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)c(Br)cc3[nH]2)c1C=O ZINC000586968377 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccnc4SCC(=O)O)nc3cc21 ZINC000586968383 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1C=O ZINC000586968397 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4c(C=O)c(C)nn4Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000586968412 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3ncccc3C(=O)O)[nH]c21 ZINC000586968418 KK Annotated Clean Cc1ccc(-n2cnnc2SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1Cl ZINC000586968419 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1C=O ZINC000586968425 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968426 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968434 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968435 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(I)cnc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586968443 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1C=O ZINC000586968444 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968445 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586968446 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586968506 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5c(C=O)c(C)nn5Cc5ccc(Cl)cc5)[nH]c4c3)o2)cc1 ZINC000586968509 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H](C)O1 ZINC000586968510 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586968512 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Cl)cc(Br)c3[nH]2)c1C=O ZINC000586968515 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586968539 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1C=O ZINC000586968545 KK Annotated Clean Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1Cl ZINC000586968546 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1C=O ZINC000586968548 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])ccc4SCC(C)C)[nH]c3cc21 ZINC000586968587 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccnc4SCC(=O)O)nc3cc21 ZINC000586968602 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1Cl ZINC000586968701 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nc5ccccc5nc4N4C[C@@H](C)O[C@H](C)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586968706 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@H](C)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586968714 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@@H](C)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586968716 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)cc1Cl ZINC000586968727 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nc5ccccc5nc4N4C[C@@H](C)O[C@H](C)C4)[nH]c3cc21 ZINC000586968728 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@H](C)C4)[nH]c3cc21 ZINC000586968730 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000586968731 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@@H](C)C4)[nH]c3cc21 ZINC000586968735 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4ncccc4C(=O)O)[nH]c3cc21 ZINC000586968747 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@H](C)C4)[nH]c3c2)cc1 ZINC000586968753 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@@H](C)C4)[nH]c3c2)cc1 ZINC000586968757 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nc5ccccc5nc4N4C[C@@H](C)O[C@H](C)C4)[nH]c3c2)cc1 ZINC000586968761 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586968766 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C=O ZINC000586968767 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586968768 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586968771 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968789 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)CSC)[nH]c3cc21 ZINC000586968792 KK Annotated Clean C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586968794 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Cl)c(Br)cnc3[nH]2)c1C=O ZINC000586968796 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586968797 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1C=O ZINC000586968799 KK Annotated Anodyne CCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586968813 KK Annotated Anodyne CCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586968815 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1C=O ZINC000586968817 KK Annotated Anodyne CCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586968818 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Br)cnc(Br)c3[nH]2)c1C=O ZINC000586968824 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H](C)O1 ZINC000586968827 KK Annotated Bother Cc1ccc(-n2cnnc2SCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1Cl ZINC000586968828 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@@H](C)O1 ZINC000586968836 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c4cccnc4c4ncccc4c3[nH]2)C[C@H](C)O1 ZINC000586968839 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C[C@@H](C)O1 ZINC000586968853 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C[C@@H](C)O1 ZINC000586968858 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)C[C@H](C)O1 ZINC000586968861 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1C=O ZINC000586968872 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3c(I)cnc(Cl)c3[nH]2)cc1Cl ZINC000586968883 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)nc2c1 ZINC000586968892 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1C=O ZINC000586968896 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(Br)cnc(Cl)c3[nH]2)c1C=O ZINC000586968920 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(I)cc3[nH]2)c1C=O ZINC000586968921 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3c(I)cnc(Cl)c3[nH]2)c1C=O ZINC000586968937 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1Cl ZINC000586968938 KK Annotated Anodyne Cc1ccc(-n2cnnc2SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1Cl ZINC000586968943 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C=O ZINC000586968944 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3c(C=O)c(C)nn3Cc3ccc(Cl)cc3)[nH]c21 ZINC000586968946 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(CSc5nc6ccccc6nc5N5C[C@H](C)O[C@H](C)C5)[nH]c4c3)o2)cc1 ZINC000586968967 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nc6ccccc6nc5N5C[C@H](C)O[C@@H](C)C5)[nH]c4c3)o2)cc1 ZINC000586968968 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nc6ccccc6nc5N5C[C@@H](C)O[C@H](C)C5)[nH]c4c3)o2)cc1 ZINC000586968971 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)CSC)[nH]c21 ZINC000586969026 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)cc(Br)c3[nH]2)C[C@H](C)O1 ZINC000586969040 KK Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586969045 KK Annotated Mild C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C#N)cc(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586969049 KK Annotated Mild COC(=O)c1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586969060 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586969063 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586969065 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586969089 KK Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@@H](C)O1 ZINC000586969091 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000586969092 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969094 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(F)cc3[nH]2)C[C@@H](C)O1 ZINC000586969096 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(F)cc3[nH]2)C[C@H](C)O1 ZINC000586969097 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c21 ZINC000586969110 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969118 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969123 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@H](C)O1 ZINC000586969124 KK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586969133 KK Annotated Reactive C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586969139 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586969140 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(Br)cc3[nH]2)C[C@H](C)O1 ZINC000586969141 KK Annotated Anodyne CC(C)Oc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586969142 KK Annotated Anodyne CC(C)Oc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586969143 KK Annotated Anodyne CC(C)Oc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586969146 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969147 KK Annotated Clean C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969161 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C[C@H](C)O1 ZINC000586969164 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)cnc(Cl)c3[nH]2)C[C@H](C)O1 ZINC000586969250 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969251 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Br)cnc(Cl)c3[nH]2)C[C@@H](C)O1 ZINC000586969252 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H](C)O1 ZINC000586969254 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969255 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969256 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H](C)O1 ZINC000586969275 KK Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@@H](C)O1 ZINC000586969276 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)C[C@H](C)O1 ZINC000586969277 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C[C@@H](C)O1 ZINC000586969328 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C[C@@H](C)O1 ZINC000586969330 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C[C@H](C)O1 ZINC000586969331 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586969338 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H](C)O1 ZINC000586969340 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H](C)O1 ZINC000586969342 KK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586969384 KK Annotated Bother CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586969414 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969473 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@H](C)O1 ZINC000586969485 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586969489 KK Annotated Anodyne CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586969559 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586969605 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586969606 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)C[C@H](C)O1 ZINC000586969607 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)nc2c1 ZINC000586969612 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)nc2c1 ZINC000586969613 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)nc2c1 ZINC000586969614 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(I)cc3[nH]2)C[C@H](C)O1 ZINC000586969629 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(I)cc3[nH]2)C[C@@H](C)O1 ZINC000586969630 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(I)cc3[nH]2)C[C@@H](C)O1 ZINC000586969631 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969632 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(F)c3[nH]2)C[C@@H](C)O1 ZINC000586969633 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(F)c3[nH]2)C[C@H](C)O1 ZINC000586969634 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)c(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586969637 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)c(Br)c3[nH]2)C[C@@H](C)O1 ZINC000586969638 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(F)c(Br)c3[nH]2)C[C@H](C)O1 ZINC000586969639 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969643 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@H](C)O1 ZINC000586969644 KK Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@@H](C)O1 ZINC000586969645 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586969671 KK Annotated Mild CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586969672 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@H](C)C3)[nH]c2cc1Br ZINC000586969675 KK Annotated Mild CCCCCCCCOc1cc2nc(CSc3nc4ccccc4nc3N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1Br ZINC000586969676 KK Annotated Mild C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C[C@@H](C)O1 ZINC000586969679 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C[C@@H](C)O1 ZINC000586969680 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C[C@H](C)O1 ZINC000586969681 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4ncccc4C(=O)O)[nH]c3cc21 ZINC000586969688 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H](C)O1 ZINC000586969702 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@H](C)O1 ZINC000586969708 KK Annotated Bother C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c4ccccc4c4ccccc4c3[nH]2)C[C@@H](C)O1 ZINC000586969709 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H](C)O1 ZINC000586969715 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H](C)O1 ZINC000586969717 KK Annotated Anodyne CSCC(C)(C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586969719 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H](C)O1 ZINC000586969720 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586969760 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H](C)O1 ZINC000586969762 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H](C)O1 ZINC000586969766 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)c(Br)cnc3[nH]2)C[C@H](C)O1 ZINC000586969788 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)c(Br)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969792 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(Cl)c(Br)cnc3[nH]2)C[C@@H](C)O1 ZINC000586969796 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2cc1Br ZINC000586969802 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCSCC(=O)Nc4ccc(C)cc4)[nH]c3cc21 ZINC000586969822 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3cccc[n+]3[O-])[nH]c21 ZINC000586969841 KK Annotated Clean CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586969842 KK Annotated Bother C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586969913 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@@H](C)O1 ZINC000586969915 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@H](C)O1 ZINC000586969916 KK Annotated Anodyne O=C(c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586969941 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)C[C@H](C)O1 ZINC000586970056 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586970057 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586970058 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@H](C)C4)[nH]c3c2)cc1 ZINC000586970067 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nc5ccccc5nc4N4C[C@H](C)O[C@@H](C)C4)[nH]c3c2)cc1 ZINC000586970068 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nc5ccccc5nc4N4C[C@@H](C)O[C@H](C)C4)[nH]c3c2)cc1 ZINC000586970069 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H](C)O1 ZINC000586970086 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@@H](C)O1 ZINC000586970087 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)C[C@H](C)O1 ZINC000586970088 KK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586970122 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c21 ZINC000586970154 KK Annotated Clean C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586970353 KK Annotated Anodyne C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@@H](C)O1 ZINC000586970354 KK Annotated Anodyne C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@H](C)O1 ZINC000586970356 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4cccc[n+]4[O-])[nH]c3cc21 ZINC000586970387 KK Annotated Clean CCCC(Br)(CCC)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586970519 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Br)C(C)(C)OC)[nH]c21 ZINC000586970529 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Br)C(C)(C)OC)[nH]c21 ZINC000586970532 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCSCC(=O)Nc4ccc(C)cc4)[nH]c3cc21 ZINC000586970548 KK Annotated Clean c1ccc(C(SCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000586970581 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586970584 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Br)C(C)(C)OC)[nH]c3cc21 ZINC000586970588 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Br)C(C)(C)OC)[nH]c3cc21 ZINC000586970592 KK Annotated Reactive CCCCCCCCOc1cc2nc(C(Br)(CCC)CCC)[nH]c2cc1Br ZINC000586970612 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586970623 KK Annotated Anodyne COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586970680 KK Annotated Reactive COC(C)(C)[C@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586970683 KK Annotated Reactive O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586970714 KK Annotated Anodyne CCCC(Br)(CCC)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000586970902 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCSCc4ccc(C)cc4)[nH]c3cc21 ZINC000586970917 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cc1[N+](=O)[O-] ZINC000586970938 KK Annotated Bother CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586970947 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000586970952 KK Annotated Anodyne CCCC(Br)(CCC)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586970958 KK Annotated Reactive Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000586971017 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNC(=O)CBr)[nH]c3cc21 ZINC000586971025 KK Annotated Reactive O=C(O)c1cc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586971087 KK Annotated Bother CC1=C(c2ccc3nc(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000586971093 KK Annotated Anodyne c1ccc(C(SCCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000586971111 KK Annotated Anodyne O=S(=O)(c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000586971117 KK Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586971143 KK Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586971146 KK Annotated Reactive CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586971162 KK Annotated Anodyne CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000586971193 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNC(=O)CBr)[nH]c21 ZINC000586971375 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCSCc3ccc(C)cc3)[nH]c21 ZINC000586971413 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c21 ZINC000586971445 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586971479 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586971501 KK Annotated Anodyne Cc1ccc(CSCCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000586971518 KK Annotated Anodyne COC(C)(C)[C@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586971591 KK Annotated Reactive COC(C)(C)[C@@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586971595 KK Annotated Reactive CCCC(Br)(CCC)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586971617 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCSCc4ccc(C)cc4)[nH]c3cc21 ZINC000586971726 KK Annotated Clean CCCCCCCCOc1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586971881 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000586971927 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c21 ZINC000586971957 KK Annotated Clean CC(C)CCOc1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586972008 KK Annotated Anodyne CCCCCOc1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000586972030 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586972232 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Br ZINC000586972234 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCBr)[nH]c3cc21 ZINC000586972239 KK Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586972249 KK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586972250 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586972264 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CBr)[nH]c21 ZINC000586972297 KK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586972300 KK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586972303 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CBr)[nH]c3cc21 ZINC000586972453 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCBr)[nH]c3cc21 ZINC000586972474 KK Annotated Reactive O=[N+]([O-])c1c(Br)ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c12 ZINC000586972536 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 ZINC000586972588 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])ccc4SCC(C)C)[nH]c3cc21 ZINC000586972646 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCBr)[nH]c21 ZINC000586972672 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\CBr)[nH]c3cc21 ZINC000586972767 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/CBr)[nH]c3cc21 ZINC000586972768 KK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586972773 KK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586972774 KK Annotated Reactive Cc1c(Br)ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586972824 KK Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586972966 KK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586972967 KK Annotated Reactive CCCCCCCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586972974 KK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br ZINC000586972975 KK Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586972992 KK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586972993 KK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586973087 KK Annotated Bother CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586973088 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 ZINC000586973093 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586973117 KK Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586973119 KK Annotated Reactive N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586973126 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586973317 KK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586973391 KK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586973392 KK Annotated Reactive CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586973437 KK Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586973439 KK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586973469 KK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586973471 KK Annotated Reactive Brc1cc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2cc1OCc1ccccc1 ZINC000586973485 KK Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586973499 KK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586973506 KK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 ZINC000586973564 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586973682 KK Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586973722 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\CBr)[nH]c21 ZINC000586973731 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/CBr)[nH]c21 ZINC000586973732 KK Annotated Reactive Fc1cc2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2cc1-n1cccn1 ZINC000586973799 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc1-2 ZINC000586973808 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)cc(Cl)c5Br)[nH]c4c3)o2)cc1 ZINC000586973911 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c21 ZINC000586973983 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c21 ZINC000586973988 KK Annotated Clean CCCCCOc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586973990 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586974034 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Cl)cc(Cl)c3Br)nc1-2 ZINC000586974157 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 ZINC000586974173 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 ZINC000586974175 KK Annotated Reactive FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586974199 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)c3ccc(CBr)cc3)[nH]c21 ZINC000586974276 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)c3ccc(CBr)cc3)[nH]c21 ZINC000586974277 KK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586974282 KK Annotated Reactive C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586974283 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3cc21 ZINC000586974392 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3cc21 ZINC000586974396 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\CBr)[nH]c3cc21 ZINC000586974430 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/CBr)[nH]c3cc21 ZINC000586974433 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3cc21 ZINC000586974464 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3cc21 ZINC000586974470 KK Annotated Reactive Cc1c(Br)cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1C ZINC000586974494 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586974497 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc2c1 ZINC000586974525 KK Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586974528 KK Annotated Reactive C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586974529 KK Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586974572 KK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586974574 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c1 ZINC000586974579 KK Annotated Reactive CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586974610 KK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586974611 KK Annotated Anodyne COC(=O)c1cc2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586974614 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c21 ZINC000586974631 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CSCc4ccccc4)NC(C)=O)[nH]c3cc21 ZINC000586974632 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CSCc4ccccc4)NC(C)=O)[nH]c3cc21 ZINC000586974633 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3cc21 ZINC000586974676 KK Annotated Clean Brc1c[nH]c2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc-2n1 ZINC000586974700 KK Annotated Anodyne CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586974714 KK Annotated Anodyne CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586974717 KK Annotated Anodyne C[C@@H](c1ccc(CBr)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586974750 KK Annotated Reactive COC(=O)c1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586974752 KK Annotated Anodyne C[C@H](c1ccc(CBr)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586974753 KK Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000586974784 KK Annotated Anodyne FC1(F)Oc2cc3nc(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)[nH]c3cc2O1 ZINC000586974914 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000586974916 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc([N+](=O)[O-])ccc4SCC(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586974923 KK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 ZINC000586974936 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])ccc3SCC(C)C)[nH]c2c1 ZINC000586974961 KK Annotated Bother Oc1nc(NCc2ccccc2)c2nc(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc-2[nH]1 ZINC000586974974 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000586974987 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000586974989 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000586974996 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000586974997 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000586975005 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000586975006 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Br)c1OC ZINC000586975014 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Br)c1OC ZINC000586975015 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586975018 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586975019 KK Annotated Mild COc1cc(Br)c([C@H](N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000586975038 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000586975039 KK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000586975048 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975078 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2cc1-n1cccn1 ZINC000586975098 KK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2c(Br)ccnc2[nH]1 ZINC000586975109 KK Annotated Anodyne Cc1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975111 KK Annotated Anodyne COc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1OC ZINC000586975119 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Cl ZINC000586975123 KK Annotated Bother Clc1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975129 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc-2[nH]1 ZINC000586975133 KK Annotated Mild Oc1nc(NCc2ccccc2)c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2[nH]1 ZINC000586975135 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2cc1Br ZINC000586975139 KK Annotated Mild N=c1[nH]c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2c(Cl)[nH]1 ZINC000586975141 KK Annotated Anodyne Brc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975144 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586975156 KK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975159 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586975170 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2cc1Br ZINC000586975171 KK Annotated Mild CC(C)(C)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586975173 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586975183 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586975186 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586975187 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000586975198 KK Annotated Anodyne Clc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586975200 KK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc1-2 ZINC000586975201 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586975202 KK Annotated Mild Brc1c[nH]c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2n1 ZINC000586975204 KK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586975205 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586975206 KK Annotated Mild Clc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586975208 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cccc(Br)c2[nH]1 ZINC000586975209 KK Annotated Anodyne Cc1cc(Cl)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975210 KK Annotated Anodyne O=S(=O)(c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1)C(F)(F)F ZINC000586975212 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586975213 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975214 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c32)n1 ZINC000586975215 KK Annotated Anodyne Clc1cc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586975225 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586975226 KK Annotated Bother CCOC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975232 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3cc21 ZINC000586975233 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc(I)cnc2[nH]1 ZINC000586975241 KK Annotated Anodyne CCCCCOc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586975247 KK Annotated Anodyne COc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586975251 KK Annotated Anodyne CC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975252 KK Annotated Anodyne FC(F)(F)c1ncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2[nH]1 ZINC000586975253 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586975260 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3c2)cc1 ZINC000586975267 KK Annotated Anodyne FC(F)(F)Oc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975273 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586975278 KK Annotated Mild CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586975280 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586975281 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1OC ZINC000586975284 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1OC ZINC000586975286 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975302 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc1-2 ZINC000586975306 KK Annotated Mild CC(C)(C)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975312 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cnc3ccccc3c2[nH]1 ZINC000586975325 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC ZINC000586975328 KK Annotated Anodyne O=C(c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1)N1CCN(CCO)CC1 ZINC000586975329 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC ZINC000586975330 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586975331 KK Annotated Bother Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586975335 KK Annotated Anodyne Cc1nc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1Br ZINC000586975355 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975372 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975374 KK Annotated Anodyne Cc1c(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1C ZINC000586975377 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cccc(I)c2[nH]1 ZINC000586975379 KK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc(I)cc2[nH]1 ZINC000586975386 KK Annotated Anodyne Nc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1N ZINC000586975387 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586975389 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3c2)cc1N ZINC000586975400 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2ccnc(Br)c2[nH]1 ZINC000586975402 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(Br)c(OC)c4)[nH]c3cc21 ZINC000586975463 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(Br)c(OC)c4)[nH]c3cc21 ZINC000586975469 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(Br)c(C)c3)[nH]c21 ZINC000586975490 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(Br)c(C)c4)[nH]c3cc21 ZINC000586975518 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c21 ZINC000586975553 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c21 ZINC000586975556 KK Annotated Clean Fc1cc(Cl)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975567 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586975570 KK Annotated Anodyne CC1=C(c2ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3c2)NNC(=O)C1 ZINC000586975571 KK Annotated Anodyne Clc1ncnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586975575 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975595 KK Annotated Anodyne FC1(F)Oc2cc3nc(-c4cc(NN=Cc5ccccc5Br)ccc4Cl)[nH]c3cc2O1 ZINC000586975597 KK Annotated Mild Clc1ncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2[nH]1 ZINC000586975604 KK Annotated Anodyne O=S(=O)(O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975607 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c21 ZINC000586975611 KK Annotated Mild Fc1c(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1F ZINC000586975620 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586975628 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1[N+](=O)[O-] ZINC000586975631 KK Annotated Bother Cc1c(F)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975638 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1OC ZINC000586975641 KK Annotated Bother COc1cc(Br)c([C@H](N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1OC ZINC000586975643 KK Annotated Bother Cc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Cl ZINC000586975646 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975664 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586975666 KK Annotated Anodyne CCCCOc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586975667 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975676 KK Annotated Reactive COc1cc(Br)c([C@H](N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000586975678 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000586975680 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586975682 KK Annotated Mild Cc1nc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2cc1Br ZINC000586975704 KK Annotated Mild Clc1cc(Cl)c(Br)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586975705 KK Annotated Anodyne O=C1COc2cc3[nH]c(C(Cc4ccccc4Br)Cc4ccccc4Br)nc3cc2N1 ZINC000586975707 KK Annotated Anodyne OCc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975708 KK Annotated Anodyne Fc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1Br ZINC000586975725 KK Annotated Anodyne COc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Cl ZINC000586975728 KK Annotated Anodyne Clc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975733 KK Annotated Anodyne Fc1c(Cl)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1F ZINC000586975745 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586975749 KK Annotated Anodyne CCCOc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586975754 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c21 ZINC000586975756 KK Annotated Clean Clc1ncc(Br)c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975773 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586975782 KK Annotated Bother Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000586975784 KK Annotated Anodyne FC(F)(F)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Cl ZINC000586975791 KK Annotated Anodyne OCCc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975809 KK Annotated Anodyne CCCCOc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586975815 KK Annotated Anodyne Cc1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586975819 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586975833 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586975842 KK Annotated Mild Clc1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586975863 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Br ZINC000586975889 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Br ZINC000586975890 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(Br)c(C)c3)[nH]c2cc1Br ZINC000586975928 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(CC)c(Br)c3)[nH]c2cc1Br ZINC000586975973 KK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586975985 KK Annotated Anodyne Clc1cc(Cl)c(Br)c(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000586976069 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586976079 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586976082 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1OC ZINC000586976083 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1OC ZINC000586976085 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586976088 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000586976095 KK Annotated Reactive COc1cc(Br)c([C@@H](N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000586976096 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(Cl)cc4Br)[nH]c3cc21 ZINC000586976100 KK Annotated Anodyne CCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1Br ZINC000586976102 KK Annotated Clean Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000586976106 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c21 ZINC000586976108 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c21 ZINC000586976112 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586976113 KK Annotated Reactive O=C(O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976119 KK Annotated Anodyne CSc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976131 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586976132 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](N)c3cc(OC)c(OC)cc3Br)[nH]c2cc1Br ZINC000586976134 KK Annotated Anodyne Clc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976137 KK Annotated Anodyne CC(C)CCOc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586976139 KK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586976142 KK Annotated Anodyne Clc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2nc1Cl ZINC000586976145 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000586976150 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000586976151 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976157 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1F ZINC000586976163 KK Annotated Bother Fc1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1-n1cccn1 ZINC000586976169 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586976171 KK Annotated Bother Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586976174 KK Annotated Mild Fc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1F ZINC000586976188 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000586976189 KK Annotated Anodyne Cc1c(Br)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976190 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cc(Br)cnc2[nH]1 ZINC000586976191 KK Annotated Mild Brc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586976195 KK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976201 KK Annotated Bother CC(C)Oc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976217 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3ccc(Cl)cc3Br)nc1-2 ZINC000586976219 KK Annotated Anodyne FC(F)(F)Oc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976228 KK Annotated Anodyne Brc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586976237 KK Annotated Anodyne Clc1c[nH]c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc-2n1 ZINC000586976253 KK Annotated Anodyne COC(=O)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586976254 KK Annotated Anodyne Cc1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1[N+](=O)[O-] ZINC000586976261 KK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2cc1Br ZINC000586976262 KK Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586976266 KK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586976277 KK Annotated Anodyne Fc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c(F)c1F ZINC000586976280 KK Annotated Anodyne CC(C)Oc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586976292 KK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc1-2 ZINC000586976294 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)nc1-2 ZINC000586976299 KK Annotated Anodyne O=C1CCc2cc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3cc2N1 ZINC000586976303 KK Annotated Anodyne COc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586976308 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2cc1Br ZINC000586976320 KK Annotated Mild Fc1cc(F)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976327 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(NN=Cc5ccccc5Br)ccc4Cl)[nH]c3cc21 ZINC000586976328 KK Annotated Mild Oc1nc(S)nc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586976332 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976335 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976345 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2cc1Br ZINC000586976347 KK Annotated Mild COC(=O)c1cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000586976353 KK Annotated Mild Fc1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1Cl ZINC000586976354 KK Annotated Anodyne CC(C)COc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586976366 KK Annotated Anodyne FC(F)(F)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586976374 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976377 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586976380 KK Annotated Mild CCCCCCCCOc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586976382 KK Annotated Mild Oc1nc2cc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3cc2[nH]1 ZINC000586976385 KK Annotated Anodyne Clc1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1Cl ZINC000586976387 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586976389 KK Annotated Mild Fc1c(F)c(F)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1F ZINC000586976391 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976393 KK Annotated Anodyne CC(C)(C)c1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976399 KK Annotated Anodyne Clc1nccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976406 KK Annotated Anodyne Clc1cncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586976410 KK Annotated Anodyne COc1cc(/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1Br ZINC000586976420 KK Annotated Anodyne COc1cc(/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1Br ZINC000586976421 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 ZINC000586976488 KK Annotated Reactive N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586976528 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Br ZINC000586976531 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1Br ZINC000586976536 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 ZINC000586976543 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)c5cc(OC)c(OC)cc5Br)[nH]c4c3)o2)cc1 ZINC000586976545 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)c5cc(OC)c(OC)cc5Br)[nH]c4c3)o2)cc1 ZINC000586976551 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000586976653 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000586976656 KK Annotated Anodyne COc1cc(Br)c([C@H](N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586976719 KK Annotated Anodyne COc1cc(Br)c([C@@H](N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000586976723 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586976737 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)c4cc(OC)c(OC)cc4Br)[nH]c3cc21 ZINC000586976754 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)c4cc(OC)c(OC)cc4Br)[nH]c3cc21 ZINC000586976761 KK Annotated Clean COc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1C ZINC000586976789 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586976800 KK Annotated Bother Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc3ccccc3cc2[nH]1 ZINC000586976820 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976845 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)ccc1Br ZINC000586976848 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)ccc1Br ZINC000586976854 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586976855 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)cc1 ZINC000586976882 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(Cl)cc4Br)[nH]c3cc21 ZINC000586976889 KK Annotated Clean FC(F)(F)Oc1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976892 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586976897 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976900 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586976902 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976906 KK Annotated Reactive N#Cc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1C#N ZINC000586976912 KK Annotated Mild FC1(F)Oc2cc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3cc2O1 ZINC000586976917 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586976920 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586976921 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976923 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586976926 KK Annotated Mild Cc1c(Br)cnc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586976938 KK Annotated Mild N#Cc1nc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2nc1C#N ZINC000586976939 KK Annotated Mild CC(C)CCOc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586976940 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586976944 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 ZINC000586976946 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586976948 KK Annotated Mild CCOc1cc(/C=C\c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc(Br)c1OC ZINC000586976972 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586976974 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc(Br)c1OC ZINC000586976977 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c1C ZINC000586976986 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c21 ZINC000586976996 KK Annotated Clean O=C(O)c1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977009 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586977021 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586977026 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977031 KK Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977032 KK Annotated Anodyne Fc1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1Br ZINC000586977044 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977051 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586977053 KK Annotated Mild Brc1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977054 KK Annotated Anodyne FC(F)(F)Sc1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977055 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977056 KK Annotated Anodyne Fc1c(Br)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977059 KK Annotated Anodyne N#Cc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1C(F)(F)F ZINC000586977061 KK Annotated Mild FC(F)(F)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586977077 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc12 ZINC000586977079 KK Annotated Mild FC(F)(F)c1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977084 KK Annotated Anodyne COc1cncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977096 KK Annotated Anodyne Fc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1F ZINC000586977111 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586977113 KK Annotated Mild Fc1cnc(Cl)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977133 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Br)c1OC ZINC000586977135 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc(Br)c1OC ZINC000586977141 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cc1Br ZINC000586977149 KK Annotated Anodyne Cc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586977170 KK Annotated Anodyne COc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977172 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586977189 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586977192 KK Annotated Anodyne COC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977194 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977197 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 ZINC000586977217 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 ZINC000586977235 KK Annotated Reactive CCc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1Br ZINC000586977243 KK Annotated Clean COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1Br ZINC000586977248 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1Br ZINC000586977249 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5cc(Br)c(O)c(Br)c5)[nH]c4c3)o2)cc1 ZINC000586977251 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586977273 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586977276 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(COc3ccc(Cl)cc3Br)[nH]c12 ZINC000586977286 KK Annotated Anodyne CCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000586977300 KK Annotated Reactive CCc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1Br ZINC000586977314 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586977316 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586977331 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977359 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977360 KK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586977361 KK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586977365 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586977377 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977407 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977409 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977411 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586977412 KK Annotated Anodyne Clc1ccnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977420 KK Annotated Anodyne Brc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cn1 ZINC000586977422 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586977423 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586977426 KK Annotated Mild O=[N+]([O-])c1cncc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977429 KK Annotated Bother Clc1c(Br)cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977431 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3cc21 ZINC000586977433 KK Annotated Clean C=CCc1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977437 KK Annotated Mild COC(=O)c1ccnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc12 ZINC000586977440 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccnc(Br)c2[nH]1 ZINC000586977463 KK Annotated Anodyne Cc1cc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1Br ZINC000586977465 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977469 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3c2)cc1 ZINC000586977473 KK Annotated Clean Clc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c(Cl)n1 ZINC000586977480 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977482 KK Annotated Anodyne Clc1ncc(I)c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977483 KK Annotated Anodyne Oc1c(Br)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977486 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586977492 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Cl ZINC000586977495 KK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977497 KK Annotated Anodyne Fc1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1C(F)(F)F ZINC000586977511 KK Annotated Anodyne Clc1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977512 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2ccc3ncccc3c2[nH]1 ZINC000586977513 KK Annotated Anodyne O=S(=O)(c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1)N1CCOCC1 ZINC000586977515 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977520 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c12 ZINC000586977526 KK Annotated Mild Cc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1F ZINC000586977528 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cccc(I)c2[nH]1 ZINC000586977529 KK Annotated Anodyne COC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1OC ZINC000586977530 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977535 KK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cncc(Br)c2[nH]1 ZINC000586977542 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3c2)cc1 ZINC000586977544 KK Annotated Anodyne NNC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977551 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(Br)c(C)c4)[nH]c3cc21 ZINC000586977555 KK Annotated Clean Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000586977556 KK Annotated Mild FC(F)(F)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977561 KK Annotated Anodyne Fc1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977567 KK Annotated Anodyne COC(=O)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000586977569 KK Annotated Anodyne Brc1ccccc1CC(Cc1ccccc1Br)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586977574 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586977575 KK Annotated Mild O=C(O)c1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1F ZINC000586977577 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586977578 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 ZINC000586977582 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2cc1Br ZINC000586977584 KK Annotated Mild Brc1ccccc1CC(Cc1ccccc1Br)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586977589 KK Annotated Anodyne Sc1nc(S)c2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586977594 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 ZINC000586977597 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2c(Br)ccnc2[nH]1 ZINC000586977605 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C(Cc5ccccc5Br)Cc5ccccc5Br)[nH]c4c3)o2)cc1 ZINC000586977612 KK Annotated Anodyne COc1nccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977615 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1Br ZINC000586977617 KK Annotated Anodyne COC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2n1 ZINC000586977621 KK Annotated Anodyne COC(=O)c1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977622 KK Annotated Anodyne Cc1c(Cl)ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977627 KK Annotated Anodyne Cc1cc(F)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977628 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 ZINC000586977629 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977630 KK Annotated Anodyne COC(=O)c1cc2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2cc1OC ZINC000586977631 KK Annotated Anodyne COc1cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2cc1F ZINC000586977633 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(Cc4ccccc4Br)Cc4ccccc4Br)[nH]c3cc21 ZINC000586977634 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c12 ZINC000586977635 KK Annotated Anodyne O=C(O)c1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586977645 KK Annotated Bother CCc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1Br ZINC000586977663 KK Annotated Bother N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586977711 KK Annotated Bother CCOc1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586977743 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586977746 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3cc21 ZINC000586977749 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(Br)c1OC ZINC000586977755 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(Br)c1OC ZINC000586977759 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586977778 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000586977779 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586977784 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586977786 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977842 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc(Br)c1OC ZINC000586977847 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Br ZINC000586977862 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Br ZINC000586977864 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586977881 KK Annotated Bother CCOc1cc(/C=C/c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc(Br)c1OC ZINC000586977889 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc(Br)c1OC ZINC000586977893 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586977898 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1Br ZINC000586977915 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1Br ZINC000586977916 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(Cl)cc3Br)[nH]c21 ZINC000586977946 KK Annotated Clean FC(F)(F)Oc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1Br ZINC000586977954 KK Annotated Anodyne CCc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1Br ZINC000586977992 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586978035 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586978037 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1Br ZINC000586978085 KK Annotated Bother COc1cc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1Br ZINC000586978089 KK Annotated Bother CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586978097 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc(Br)c1OC ZINC000586978102 KK Annotated Anodyne Cc1cc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Br ZINC000586978109 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Br)c1OC ZINC000586978113 KK Annotated Clean CCOc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(Br)c1OC ZINC000586978114 KK Annotated Clean N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000586978115 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586978135 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Br)c1OC ZINC000586978187 KK Annotated Bother CCOc1cc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Br)c1OC ZINC000586978193 KK Annotated Bother N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000586978195 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586978196 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586978202 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978215 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978218 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586978219 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586978221 KK Annotated Reactive COc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Br ZINC000586978225 KK Annotated Reactive CCOc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978343 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978344 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586978345 KK Annotated Mild N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586978361 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978368 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978369 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586978382 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(Br)c1OC ZINC000586978387 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(Br)c1OC ZINC000586978388 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc(Br)c1OC ZINC000586978389 KK Annotated Clean CCOc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc(Br)c1OC ZINC000586978390 KK Annotated Clean N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586978395 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586978405 KK Annotated Reactive CC(C)COc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586978407 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586978421 KK Annotated Bother CCCCOc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586978425 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978429 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978430 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586978433 KK Annotated Anodyne CCCOc1cc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586978451 KK Annotated Anodyne CCCOc1cc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586978452 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978476 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(Br)c1OC ZINC000586978477 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978478 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc(Br)c1OC ZINC000586978479 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978484 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978485 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586978486 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3c2)cc1 ZINC000586978495 KK Annotated Clean N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586978504 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586978515 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586978516 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586978519 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Br)c1OC ZINC000586978520 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3cc21 ZINC000586978526 KK Annotated Clean N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586978532 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c21 ZINC000586978540 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4cc(Br)c(O)c(Br)c4)[nH]c3c2)cc1 ZINC000586978545 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586978558 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3cc(Br)c(OC)c(OCC)c3)[nH]c2cc1Br ZINC000586978559 KK Annotated Mild COC(=O)c1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586978575 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978582 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978583 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Br)c1OC ZINC000586978587 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Br)c1OC ZINC000586978588 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586978591 KK Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2cc1Br ZINC000586978592 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978603 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Br)c1OC ZINC000586978604 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586978609 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc(Br)c1OC ZINC000586978610 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc(Br)c1OC ZINC000586978620 KK Annotated Clean CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc(Br)c1OC ZINC000586978621 KK Annotated Clean N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000586978627 KK Annotated Anodyne N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586978632 KK Annotated Bother CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc(Br)c1OC ZINC000586978640 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)cc(Br)c1OC ZINC000586978641 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(Br)c(OC)c(OCC)c3)nc2c1 ZINC000586978642 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(Br)c(OC)c(OCC)c3)nc2c1 ZINC000586978643 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978654 KK Annotated Reactive CCOc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC ZINC000586978655 KK Annotated Reactive Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000586978663 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586978707 KK Annotated Mild Cc1nn(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)c1Br ZINC000586978716 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nc(C)c(Br)c4C)[nH]c3cc21 ZINC000586978745 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(NN=Cc5ccccc5Br)ccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586978784 KK Annotated Mild Cc1nn(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)c1Br ZINC000586978817 KK Annotated Anodyne Cc1nn(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br ZINC000586978821 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586978946 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccnc(Cl)c3Br)[nH]c21 ZINC000586979006 KK Annotated Clean Cc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br ZINC000586979061 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nc(C)c(Br)c3C)[nH]c21 ZINC000586979074 KK Annotated Clean Cc1nn(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C)c1Br ZINC000586979082 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(C)c(Br)c3C)[nH]c21 ZINC000586979092 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccnc(Cl)c4Br)[nH]c3cc21 ZINC000586979127 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(C)c(Br)c4C)[nH]c3cc21 ZINC000586979150 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nc(C)c(Br)c4C)[nH]c3cc21 ZINC000586979154 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586979276 KK Annotated Anodyne Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000586979324 KK Annotated Mild CCCCCCCCOc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Br ZINC000586979326 KK Annotated Mild Clc1ccc(NN=Cc2ccccc2Br)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000586979337 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c21 ZINC000586979385 KK Annotated Mild CCOc1n[nH]c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1Br ZINC000586979393 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(C)c(Br)c4C)[nH]c3cc21 ZINC000586979415 KK Annotated Anodyne Cc1ncc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)c1Br ZINC000586979418 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(NN=Cc5ccccc5Br)ccc4Cl)[nH]c3cc21 ZINC000586979423 KK Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586979424 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586979466 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586979473 KK Annotated Anodyne Cc1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)c1Br ZINC000586979486 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000586979491 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2c1 ZINC000586979511 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)cc([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 ZINC000586979605 KK Annotated Bother Cc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586979622 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3[nH]nc(OCC)c3Br)[nH]c2cc1Br ZINC000586979630 KK Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586979656 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccnc(Cl)c4Br)[nH]c3cc21 ZINC000586979677 KK Annotated Clean COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586979743 KK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1Br ZINC000586979761 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586979790 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586979808 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(OCC(C)C)cc2[nH]1 ZINC000586979818 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1Br ZINC000586979830 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cc1Br ZINC000586979831 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4c(C=O)cc(Br)cc4OC)[nH]c3cc21 ZINC000586979832 KK Annotated Clean CCCCOc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Br ZINC000586979838 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 ZINC000586979848 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586979903 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 ZINC000586979905 KK Annotated Reactive COc1cc(Br)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586979936 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000586979965 KK Annotated Mild CCCCCOc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1Br ZINC000586979986 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)cc([N+](=O)[O-])c3C)[nH]c21 ZINC000586979995 KK Annotated Clean COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586980024 KK Annotated Anodyne Cc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980028 KK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000586980112 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)ccc4Cl)[nH]c3cc21 ZINC000586980127 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Br ZINC000586980129 KK Annotated Mild COc1cc(Br)cc(C=O)c1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586980134 KK Annotated Reactive Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586980150 KK Annotated Anodyne Cc1c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Br)cc1[N+](=O)[O-] ZINC000586980169 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000586980171 KK Annotated Bother COc1cc(Br)cc(C=O)c1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586980198 KK Annotated Anodyne Cc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980221 KK Annotated Bother CCCCCCCCOc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1Br ZINC000586980239 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Br)cc([N+](=O)[O-])c4C)[nH]c3c2)cc1 ZINC000586980243 KK Annotated Bother CCOC(=O)c1cc(Br)c2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2c1 ZINC000586980279 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586980283 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)ccc3Cl)[nH]c21 ZINC000586980284 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)ccc4Cl)[nH]c3cc21 ZINC000586980312 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586980346 KK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1Br ZINC000586980375 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(COc5c(C=O)cc(Br)cc5OC)[nH]c4c3)o2)cc1 ZINC000586980390 KK Annotated Anodyne Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] ZINC000586980421 KK Annotated Reactive CCCCOc1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2cc1Br ZINC000586980455 KK Annotated Anodyne CCOc1n[nH]c(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1Br ZINC000586980456 KK Annotated Clean CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1Br ZINC000586980461 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3c(C=O)cc(Br)cc3OC)[nH]c21 ZINC000586980469 KK Annotated Clean COc1cc(Br)cc(C=O)c1OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586980480 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586980485 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4c(C=O)cc(Br)cc4OC)[nH]c3c2)cc1 ZINC000586980509 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586980537 KK Annotated Bother CCCCCOc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cc1Br ZINC000586980548 KK Annotated Anodyne COC(=O)c1cc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000586980551 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Br)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586980553 KK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 ZINC000586980555 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586980565 KK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586980576 KK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586980585 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cccn5-c5ccc(Br)cc5C)nc4c3)o2)cc1 ZINC000586980601 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000586980602 KK Annotated Anodyne COc1cc(Br)cc(C=O)c1OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586980613 KK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586980646 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Br)ccc3Cl)nc1-2 ZINC000586980653 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000586980667 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cccn4-c4ccc(Br)cc4C)nc3c2)cc1 ZINC000586980677 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Br ZINC000586980693 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Br ZINC000586980699 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc2[nH]1 ZINC000586980703 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586980746 KK Annotated Reactive CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586980819 KK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1Br ZINC000586980832 KK Annotated Mild CCCCCCOc1ccc(Br)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586980926 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 ZINC000586980950 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn4-c4ccc(Br)cc4C)nc3cc21 ZINC000586980969 KK Annotated Clean CC(C)CCOc1ccc(Br)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586980973 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c(F)c1Nc1ccccc1 ZINC000586980977 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586980985 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000586981036 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586981047 KK Annotated Reactive Cc1cc(Br)ccc1OCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586981049 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586981053 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586981058 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000586981062 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586981063 KK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586981098 KK Annotated Reactive CCCCCOc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Br ZINC000586981099 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586981103 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000586981174 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586981235 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)ccc3OCCC(C)C)nc2c1 ZINC000586981253 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c1 ZINC000586981256 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc21 ZINC000586981259 KK Annotated Clean CC(C)CCOc1ccc(Br)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586981294 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586981329 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586981346 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)ccc3OCCCCCC)[nH]c2cc1Br ZINC000586981374 KK Annotated Mild CC(C)CCOc1ccc(Br)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586981376 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586981405 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586981406 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586981428 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586981429 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)cc(C=O)c3)[nH]c21 ZINC000586981436 KK Annotated Clean Cc1cc(Br)ccc1-n1cccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000586981462 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2cc1Br ZINC000586981491 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3cc21 ZINC000586981526 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3cc21 ZINC000586981538 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(Br)cc4C)[nH]c3cc21 ZINC000586981563 KK Annotated Clean Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000586981580 KK Annotated Bother Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000586981614 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000586981630 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(Br)cc4C)[nH]c3cc21 ZINC000586981642 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2c1 ZINC000586981648 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586981664 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586981693 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586981694 KK Annotated Reactive CCCCCCOc1ccc(Br)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586981695 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(Br)cc3C)[nH]c21 ZINC000586981707 KK Annotated Clean CC(C)CCOc1ccc(Br)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586981716 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586981732 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586981739 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586981740 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000586981748 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Br)ccc4OCCC(C)C)[nH]c3c2)cc1 ZINC000586981764 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586981770 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586981772 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586981786 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586981787 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000586981823 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000586981884 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586981895 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586981896 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2cc1Br ZINC000586981952 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(Br)cc4C)[nH]c3c2)cc1 ZINC000586982007 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn4-c4ccc(Br)cc4C)nc3cc21 ZINC000586982030 KK Annotated Anodyne Cc1cc(Br)ccc1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586982056 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586982068 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586982073 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000586982077 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000586982078 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586982079 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000586982081 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c21 ZINC000586982089 KK Annotated Clean CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586982101 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586982102 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Br)ccc4OCCC(C)C)[nH]c3c2)cc1 ZINC000586982107 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000586982108 KK Annotated Clean CC(C)CCOc1ccc(Br)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586982110 KK Annotated Bother CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586982119 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586982159 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Br)ccc3OCCC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586982161 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000586982162 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](Cc5cccc(Br)c5)CC(C)C)[nH]c4c3)o2)cc1 ZINC000586982167 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Cc5cccc(Br)c5)CC(C)C)[nH]c4c3)o2)cc1 ZINC000586982172 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586982184 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586982186 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3cc21 ZINC000586982190 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586982365 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586982366 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586982382 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586982383 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586982385 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(I)cnc2[nH]1 ZINC000586982392 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586982402 KK Annotated Bother CCCCCCOc1ccc(Br)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586982419 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)ccc4OCCC(C)C)[nH]c3cc21 ZINC000586982421 KK Annotated Anodyne CCCCCCOc1ccc(Br)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586982439 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)ccc4OCCC(C)C)[nH]c3cc21 ZINC000586982440 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)ccc5OCCC(C)C)[nH]c4c3)o2)cc1 ZINC000586982449 KK Annotated Anodyne CC(C)CCOc1ccc(Br)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586982465 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586982532 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586982534 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3cc21 ZINC000586982600 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3cc21 ZINC000586982605 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586982640 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586982641 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982646 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982647 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586982654 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000586982655 KK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000586982660 KK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586982670 KK Annotated Reactive CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586982671 KK Annotated Reactive O=Cc1cc(Br)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000586982697 KK Annotated Reactive CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586982701 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586982703 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982769 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982772 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586982805 KK Annotated Bother CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586982808 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982816 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982820 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982861 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3cccc(Br)c3)CC(C)C)nc2c1 ZINC000586982865 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982899 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586982902 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586982997 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586983005 KK Annotated Anodyne O=Cc1cc(Br)cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000586983022 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586983044 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586983045 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586983049 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586983050 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586983060 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586983061 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586983264 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586983265 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586983280 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c2cc1Br ZINC000586983284 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cc(C=O)c4)[nH]c3cc21 ZINC000586983300 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Cc3cccc(Br)c3)CC(C)C)[nH]c21 ZINC000586983311 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3cccc(Br)c3)CC(C)C)[nH]c21 ZINC000586983313 KK Annotated Clean N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586983348 KK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586983349 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586983355 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586983359 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586983373 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586983374 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586983392 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586983393 KK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586983415 KK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586983419 KK Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586983647 KK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586983648 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccc(Br)cc4)NC(C)=O)[nH]c3cc21 ZINC000586983658 KK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(Br)cc4)cc3)nc3ccc(O)c1c23 ZINC000586983661 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586983662 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586983663 KK Annotated Anodyne O=C1c2ccccc2-c2c(CCc3ccc(Br)cc3)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586983811 KK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586983816 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O ZINC000586983817 KK Annotated Reactive N[C@@H](Cc1cccc(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586983818 KK Annotated Reactive N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586983820 KK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586983821 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000586983837 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3cc21 ZINC000586983877 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3cc21 ZINC000586983883 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586983884 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983887 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc12 ZINC000586983888 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586983889 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Br ZINC000586983890 KK Annotated Mild CC(=O)N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586983893 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586983894 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586983895 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983910 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983912 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983929 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586983930 KK Annotated Anodyne CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586983956 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586983968 KK Annotated Anodyne CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586983970 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c12 ZINC000586983971 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586983973 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586983988 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1 ZINC000586983991 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1 ZINC000586984003 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Br)cc3OCc3ccccc3)nc3ccc(O)c1c23 ZINC000586984008 KK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586984027 KK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586984029 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](NC(C)=O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586984055 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(C)=O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586984058 KK Annotated Clean CCCCCOc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1Br ZINC000586984093 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984096 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984100 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586984143 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)Cc3cccc(Br)c3)[nH]c21 ZINC000586984157 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3cccc(Br)c3)[nH]c21 ZINC000586984159 KK Annotated Clean CC(=O)N[C@H](Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984161 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984162 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc21 ZINC000586984168 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc21 ZINC000586984173 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984181 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984189 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984237 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984238 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586984254 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586984257 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984271 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586984274 KK Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586984309 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984318 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586984321 KK Annotated Anodyne Brc1ccc([C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)N2CCCC2)cc1 ZINC000586984342 KK Annotated Anodyne Brc1ccc([C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)N2CCCC2)cc1 ZINC000586984344 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@](C(=O)O)(c1ccc(Br)cc1)C3 ZINC000586984348 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@](C(=O)O)(c1ccc(Br)cc1)C3 ZINC000586984349 KK Annotated Anodyne CCOC(=O)CCc1nc2ccc(O)c3c2c(c1CC(=O)c1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586984350 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586984383 KK Annotated Bother O=C1c2ccccc2-c2cc(-c3ccccc3OCc3ccc(Br)cc3)nc3ccc(O)c1c23 ZINC000586984397 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984402 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586984403 KK Annotated Anodyne CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586984405 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586984406 KK Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586984416 KK Annotated Reactive CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000586984421 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](Cc4ccc(Br)cc4)NC(C)=O)[nH]c3c2)cc1 ZINC000586984426 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586984439 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984489 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586984490 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984508 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984509 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586984533 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586984534 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586984547 KK Annotated Anodyne CCCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586984549 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c21 ZINC000586984568 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c21 ZINC000586984570 KK Annotated Clean O=C(Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1)c1ccc(Br)cc1 ZINC000586984572 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586984601 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586984602 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984618 KK Annotated Reactive CC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586984619 KK Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(c(Br)c(Br)c2c1CCO2)C3 ZINC000586984666 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586984683 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c21 ZINC000586984734 KK Annotated Clean N[C@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586984767 KK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586984768 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586984783 KK Annotated Anodyne COC1=Cc2nc3ccc(O)c4c3c(c2[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O)-c1ccccc1C4=O ZINC000586984791 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCc2c-3nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586984796 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586984801 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586984804 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586984807 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586984809 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586984811 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000586984860 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000586984862 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000586984865 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586984866 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3cc21 ZINC000586984888 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3cc21 ZINC000586984893 KK Annotated Clean CC(=O)N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984932 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(Br)cc1 ZINC000586984935 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1Br ZINC000586984966 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586984972 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586984989 KK Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586984998 KK Annotated Anodyne CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586985015 KK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586985016 KK Annotated Reactive Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985024 KK Annotated Anodyne N[C@H](Cc1cccc(Br)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586985047 KK Annotated Bother N[C@@H](Cc1cccc(Br)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586985048 KK Annotated Bother N[C@H](Cc1cccc(Br)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586985080 KK Annotated Anodyne N[C@@H](Cc1cccc(Br)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586985081 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3c2)cc1 ZINC000586985082 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Cc4cccc(Br)c4)CC(C)C)[nH]c3c2)cc1 ZINC000586985084 KK Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c(Cl)c1COCC(F)(F)F ZINC000586985122 KK Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)c(Cl)c1COCC(F)(F)F ZINC000586985128 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586985165 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586985166 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586985170 KK Annotated Mild O=C1c2ccccc2-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586985213 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2cc1Br ZINC000586985278 KK Annotated Mild CC(=O)N[C@@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985285 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985287 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985308 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985310 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586985316 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985322 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586985323 KK Annotated Anodyne Cn1c(=O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(-c2ccccc2)c2cc(Cl)ccc21 ZINC000586985334 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985367 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2F)c1 ZINC000586985369 KK Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586985406 KK Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586985409 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985418 KK Annotated Reactive CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586985430 KK Annotated Anodyne CCOc1ccc(-c2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000586985434 KK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3ccccc3Oc3ccc(Br)cc3F)nc3ccc(O)c1c23 ZINC000586985435 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc21 ZINC000586985517 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3cc21 ZINC000586985519 KK Annotated Clean CC(C)CCOc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985522 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985523 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985526 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985527 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(Br)cc1 ZINC000586985539 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(Br)cc1 ZINC000586985540 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1 ZINC000586985563 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](c4ccc(Br)cc4)N4CCCC4)[nH]c3c2)cc1 ZINC000586985564 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586985578 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586985579 KK Annotated Anodyne Brc1ccc([C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)N2CCCC2)cc1 ZINC000586985591 KK Annotated Anodyne Brc1ccc([C@H](c2nc3cc(Br)c(Br)cc3[nH]2)N2CCCC2)cc1 ZINC000586985592 KK Annotated Anodyne CCCCOc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985593 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985594 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985636 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985637 KK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985639 KK Annotated Anodyne CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985646 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985657 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985658 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000586985664 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985667 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 ZINC000586985668 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586985689 KK Annotated Anodyne Cc1ccc(COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2Cl)cc1[N+](=O)[O-] ZINC000586985701 KK Annotated Bother Brc1ccc([C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586985731 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)-c1ccccc1C7=O ZINC000586985735 KK Annotated Anodyne Brc1ccc([C@H](c2nc3c(Br)cnc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586985737 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985744 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985747 KK Annotated Anodyne FC(F)(F)c1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985752 KK Annotated Anodyne FC(F)(F)c1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985753 KK Annotated Anodyne Clc1ncc(I)c2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985776 KK Annotated Anodyne Clc1ncc(I)c2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 ZINC000586985780 KK Annotated Anodyne Brc1ccc([C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586985788 KK Annotated Anodyne Brc1ccc([C@H](c2nc3c(Br)ccc(Br)c3[nH]2)N2CCCC2)cc1 ZINC000586985789 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)/C(=C\Cl)N2 ZINC000586985806 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)/C(=C/Cl)N2 ZINC000586985820 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985855 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586985858 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c21 ZINC000586985866 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c21 ZINC000586985867 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](NC(C)=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586985878 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](NC(C)=O)c4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586985879 KK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985894 KK Annotated Anodyne FC(F)(F)Oc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586985896 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586985899 KK Annotated Anodyne Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586985913 KK Annotated Mild O=C1c2ccccc2-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586985919 KK Annotated Mild O=C(Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)c1ccc(Br)o1 ZINC000586985952 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(C(=O)C(Cl)(Cl)Cl)[nH]c3[N+](=O)[O-])nc3ccc(O)c1c23 ZINC000586985968 KK Annotated Bother O=C1c2ccccc2-c2cc(-c3cccc(N4COc5ccc(Br)cc5C4)c3)nc3ccc(O)c1c23 ZINC000586985973 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586986008 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586986009 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986058 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986059 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586986066 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586986071 KK Annotated Mild CC(C)COc1cc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586986086 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2cc1Br ZINC000586986087 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986096 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586986097 KK Annotated Anodyne O=C(Nc1ccccc1Cl)C(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986222 KK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(Br)cc(Br)c1CC3 ZINC000586986274 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986303 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](c5ccc(Br)cc5)N5CCCC5)[nH]c4c3)o2)cc1 ZINC000586986312 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986313 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986317 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586986321 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986323 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)N[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O ZINC000586986324 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](c5ccc(Br)cc5)N5CCCC5)[nH]c4c3)o2)cc1 ZINC000586986325 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586986369 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586986376 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986384 KK Annotated Anodyne Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586986405 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)c1ccc(Br)cc1 ZINC000586986434 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)c1ccc(Br)cc1 ZINC000586986437 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986440 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 ZINC000586986442 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4C(F)(F)F)c4nc(O)ccc34)nc3ccc(O)c1c23 ZINC000586986449 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986470 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986472 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Nc4c5ccccc5nc5occc45)cc3)nc3ccc(O)c1c23 ZINC000586986567 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)CC1 ZINC000586986599 KK Annotated Bother Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)c2ccccc21 ZINC000586986616 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)c2ccccc21 ZINC000586986617 KK Annotated Anodyne Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)cc1 ZINC000586986681 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586986695 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986705 KK Annotated Bother CC(=O)N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586986709 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586986735 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586986736 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586986737 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586986738 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccc(Br)cc4c3-c3ccccc3)nc3ccc(O)c1c23 ZINC000586986760 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586986774 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586986775 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586986776 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586986777 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000586986790 KK Annotated Reactive COc1ccc(-c2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000586986798 KK Annotated Anodyne Cc1ccc(-c2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000586986803 KK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)-c1ccccc1C7=O ZINC000586986844 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986867 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986869 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986871 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586986873 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586986881 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586986886 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586986889 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2ccc(O)c4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586986891 KK Annotated Mild COc1cc(C(=O)Oc2ccccc2-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1[N+](=O)[O-] ZINC000586986923 KK Annotated Bother CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586986932 KK Annotated Mild O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 ZINC000586986935 KK Annotated Mild O=C1c2ccccc2-c2cc(/C=C/c3c(Br)cccc3OC(F)(F)F)nc3ccc(O)c1c23 ZINC000586986958 KK Annotated Anodyne O=C1c2ccccc2-c2cc(Cc3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)nc3ccc(O)c1c23 ZINC000586986982 KK Annotated Bother COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987025 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987026 KK Annotated Anodyne CC(C)(C)OC(=O)n1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(Br)c2ccccc21 ZINC000586987036 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6ccc(O)c7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586987050 KK Annotated Reactive C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987074 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987075 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987076 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987077 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586987086 KK Annotated Anodyne Cc1c(-c2cc(Br)ccc2OC(F)(F)F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987104 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000586987117 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000586987121 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586987123 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586987125 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)-c2nc3ccc(O)c4c3c(c2CC1)-c1ccccc1C4=O ZINC000586987217 KK Annotated Clean Cc1c(C(=O)Nc2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)cccc1[N+](=O)[O-] ZINC000586987239 KK Annotated Bother CC(C)N(C(=O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 ZINC000586987273 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccc(F)cc4)c4nc(O)ccc34)nc3ccc(O)c1c23 ZINC000586987296 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccc(F)cc4c3-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586987319 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5ccc(O)c6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 ZINC000586987336 KK Annotated Reactive CCOC(=O)C(=CNc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)OCC ZINC000586987343 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ccc(F)cc4Br)cc3)nc3ccc(O)c1c23 ZINC000586987351 KK Annotated Anodyne O=C1c2ccccc2-c2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586987356 KK Annotated Anodyne O=C(N[C@@]1(C(=O)O)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000586987376 KK Annotated Anodyne O=C(N[C@]1(C(=O)O)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000586987379 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 ZINC000586987393 KK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000586987452 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H]1[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]31 ZINC000586987454 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1[C@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000586987455 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000586987457 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)c5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586987470 KK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987501 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)CC3 ZINC000586987556 KK Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)CC3 ZINC000586987558 KK Annotated Bother CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000586987562 KK Annotated Mild C/C=C(\NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987618 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987620 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987621 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586987622 KK Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987659 KK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586987663 KK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CN(C(=O)OCC1c2ccccc2-c2ccccc21)CC3 ZINC000586987707 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586987717 KK Annotated Anodyne O=C(N[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000586987746 KK Annotated Anodyne O=C(N[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000586987749 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@H]1C3 ZINC000586987775 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]1C3 ZINC000586987776 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]1C3 ZINC000586987777 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@H]1C3 ZINC000586987778 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)CC1 ZINC000586987798 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(-c2nc3ccc(O)c4c3c(c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)-c2ccccc2C4=O)cc1 ZINC000586987809 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(O)c3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000586987849 KK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(O)c3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000586987850 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586987886 KK Annotated Bother Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586987887 KK Annotated Bother Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586987888 KK Annotated Bother Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586987889 KK Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@H]31 ZINC000586987908 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@@H]31 ZINC000586987910 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@H]31 ZINC000586987912 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@@H]31 ZINC000586987914 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(O)c4c3c(c2[C@H](C(=O)O)c2cn(C)c3ccccc23)-c2ccccc2C4=O)cc1 ZINC000586987932 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(O)c4c3c(c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)-c2ccccc2C4=O)cc1 ZINC000586987933 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2ccc(O)c3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000586987972 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc12 ZINC000586987979 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)C[C@H]31 ZINC000586988013 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)C[C@H]31 ZINC000586988014 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)C[C@@H]31 ZINC000586988015 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)C[C@@H]31 ZINC000586988016 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586988087 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586988134 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586988144 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586988146 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586988148 KK Annotated Bother O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]31 ZINC000586988153 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000586988155 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000586988157 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000586988159 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000586988182 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000586988186 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000586988188 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000586988189 KK Annotated Anodyne C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000586988215 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000586988217 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000586988220 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000586988222 KK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3)nc3ccc(O)c1c23 ZINC000586988234 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4ccc(O)c5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@H]1c1ccccc1F ZINC000586988252 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4ccc(O)c5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@H]1c1ccccc1F ZINC000586988255 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4ccc(O)c5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@@H]1c1ccccc1F ZINC000586988257 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4ccc(O)c5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@@H]1c1ccccc1F ZINC000586988261 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@H]1C3 ZINC000586988294 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@@H]1C3 ZINC000586988296 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@H]1C3 ZINC000586988298 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@@H]1C3 ZINC000586988300 KK Annotated Anodyne O=C1c2ccccc2-c2c(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586988307 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(CCN(C(=O)OCc2ccccc2)CC1)C3 ZINC000586988472 KK Annotated Anodyne Cc1cc(I)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1NC(=O)C(F)(F)F ZINC000586988528 KK Annotated Anodyne COc1ccc2c(c1I)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988540 KK Annotated Anodyne O=C1c2ccccc2-c2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586988545 KK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988575 KK Annotated Mild CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586988591 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@H]31 ZINC000586988658 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@@H]31 ZINC000586988659 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@@H]31 ZINC000586988660 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@H]31 ZINC000586988661 KK Annotated Anodyne O=C(CCc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F)OCc1ccccc1 ZINC000586988740 KK Annotated Anodyne O=C(CI)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586988811 KK Annotated Reactive O=C(O)CN(CC(=O)N1CCN(c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)CC1)c1ccccc1 ZINC000586988823 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)Cc2c(C)nc3ccc(O)c4c3c2-c2ccccc2C4=O)C(C)(C)C1 ZINC000586988824 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]1[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]1C3 ZINC000586988828 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@H](C3)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000586988829 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@@H](C3)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000586988830 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]1[C@H](C3)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000586988831 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CCc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(C)(C)C1 ZINC000586988854 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3ccc(O)c4c3c(c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)-c2ccccc2C4=O)cc1 ZINC000586988867 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586988893 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000586988895 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000586988896 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000586988897 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000586988898 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)nc3ccc(O)c1c23 ZINC000586988901 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586988937 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 ZINC000586988938 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](c2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000586988992 KK Annotated Mild O=C1c2ccccc2-c2cc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586989135 KK Annotated Anodyne O=C1c2ccccc2-c2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 ZINC000586989136 KK Annotated Anodyne O=C(O)Cc1c(-c2ccc(I)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989160 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989318 KK Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@@H](O)COc1cccc(O)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989352 KK Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989353 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586989454 KK Annotated Anodyne CCCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCCCCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989473 KK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc3)nc3ccc(O)c1c23 ZINC000586989509 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@]12C)-c1ccccc1C7=O ZINC000586989520 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989537 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989574 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989575 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)c3nc4ccc(O)c5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000586989576 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)c3nc4ccc(O)c5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000586989577 KK Annotated Mild CCOC(=O)C(Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC(C)C)C(=O)OCC ZINC000586989607 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000586989635 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/c2nc4ccc(O)c5c4c(c2CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)-c1ccccc1C5=O ZINC000586989691 KK Annotated Mild COC(=O)c1cccc(OCCOc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000586989706 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586989727 KK Annotated Mild COC(=O)c1ccc(OCCOc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586989743 KK Annotated Anodyne CCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586989751 KK Annotated Anodyne O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586989753 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)c3nc4ccc(O)c5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000586989755 KK 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=C/C2=C(C)c3nc4ccc(O)c5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000586989756 KK 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=C/C2=C(C)c3nc4ccc(O)c5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000586989757 KK 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=C\C2=C(C)c3nc4ccc(O)c5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000586989758 KK Annotated Mild O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586989760 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000586989763 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000586989765 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586989833 KK Annotated Anodyne CCCCCCCCC[C@H](O)Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000586989848 KK Annotated Mild CN1C(=O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000586989885 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000586989889 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000586989891 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000586989893 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000586989916 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@@]1(CO1)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000586989979 KK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000586989985 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586990014 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000586990048 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000586990052 KK Annotated Anodyne O=C1COc2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc(OCc3ccccc3)c2N1 ZINC000586990091 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1c1c(nc3ccc(O)c4c3c1-c1ccccc1C4=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000586990106 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O ZINC000586990117 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O ZINC000586990118 KK Annotated Mild COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)c4nc5ccc(O)c6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 ZINC000586990125 KK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)CC[C@@H]12 ZINC000586990146 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O)CC1(CC4)OCCO1 ZINC000586990157 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)c5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586990212 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000586990217 KK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc3)nc3ccc(O)c1c23 ZINC000586990218 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)c5nc6ccc(O)c7c6c(c5C[C@]34C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586990220 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586990236 KK Annotated Mild CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586990323 KK Annotated Mild CC(=O)Oc1ccc2c(c1)CC=C1[C@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000586990341 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000586990343 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000586990344 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]3Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@@]3(C)CC[C@H]12 ZINC000586990345 KK Annotated Anodyne CC(C)C[C@@H]1C2=C(Oc3cc(O)c(-c4nc5ccc(O)c6c5c(c4C(C)C)-c4ccccc4C6=O)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000586990409 KK Annotated Mild CC(C)C[C@H]1C2=C(Oc3cc(O)c(-c4nc5ccc(O)c6c5c(c4C(C)C)-c4ccccc4C6=O)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000586990411 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990426 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000586990595 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@H]13)-c1ccccc1C5=O ZINC000586990621 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586990673 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990727 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990728 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990729 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990730 KK Annotated Anodyne COC(=O)CCCCCCCCCc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990748 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)cc(OCc4ccccc4)cc3OCc3ccccc3)nc3ccc(O)c1c23 ZINC000586990750 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586990756 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(c(O)ccc6n4)C(=O)c4ccccc4-5)CC[C@H]32)C1 ZINC000586990761 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](c5cc6c7c(c(O)ccc7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000586990764 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(c(O)ccc6n4)C(=O)c4ccccc4-5)CC[C@H]32)C1 ZINC000586990767 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](c5cc6c7c(c(O)ccc7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000586990770 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586990831 KK Annotated Anodyne CCCCCCCCCCCCc1c(CCCC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586990851 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586990854 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000586990859 KK Annotated Anodyne C[C@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]12 ZINC000586990864 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000586990870 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O)CC(OC)=CC4 ZINC000586990873 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000586990879 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000586990888 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000586990893 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21)-c1ccccc1C5=O ZINC000586990897 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21)-c1ccccc1C5=O ZINC000586990902 KK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000586990906 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000586990907 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000586990908 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000586990910 KK Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5ccc(O)c6c5c(c4C[C@@]3(C)[C@@H]21)-c1ccccc1C6=O ZINC000586990920 KK Annotated Anodyne C[C@H]1c2nc3ccc(O)c4c3c(c2C[C@H]2[C@]3(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]3CC[C@@]21C)-c1ccccc1C4=O ZINC000586990921 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5ccc(O)c6c5c(c4C[C@@]3(C)[C@H]21)-c1ccccc1C6=O ZINC000586990922 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000586990925 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000586990928 KK Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@@]21CC)-c1ccccc1C7=O ZINC000586990941 KK Annotated Mild C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=Cc2nc4ccc(O)c5c4c(c2C[C@@]13C)-c1ccccc1C5=O ZINC000586990954 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@H]3O[C@]32c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586991023 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3O[C@]32c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586991024 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3C[C@H]3O[C@]32c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586991025 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586991028 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]12C)-c1ccccc1C7=O ZINC000586991067 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000586991079 KK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c(-c2nc3ccc(O)c4c3c(c2CCCC)-c2ccccc2C4=O)c1O ZINC000586991087 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586991091 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCc1cnc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991156 KK Annotated Mild CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5ccc(O)c6c5c(c4C[C@]3(C)[C@H]21)-c1ccccc1C6=O ZINC000586991209 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5ccc(O)c6c5c(c4C[C@]3(C)[C@@H]21)-c1ccccc1C6=O ZINC000586991211 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)c3nc4ccc(O)c5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000586991224 KK Annotated Mild O=C1c2ccccc2-c2c(Cc3ccc(O)cc3)c(CCCCc3ccc(O)cc3)nc3ccc(O)c1c23 ZINC000586991226 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1[C@@H](O)C[C@@H]2O ZINC000586991243 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586991256 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000586991273 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586991297 KK Annotated Mild C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2O ZINC000586991318 KK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2O ZINC000586991319 KK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@H]2O ZINC000586991322 KK Annotated Anodyne C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@H]2O ZINC000586991325 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000586991385 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2c2c(nc4ccc(O)c5c4c2-c2ccccc2C5=O)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000586991408 KK Annotated Anodyne O=C(O)Cc1c(-c2ccc3ccc4cccc5ccc2c3c45)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991432 KK Annotated Bother CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586991437 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586991442 KK Annotated Anodyne CC1(C)CC(=O)C([C@@H](c2ccccc2)c2c(-c3ccccc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)C(=O)C1 ZINC000586991447 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](c2ccccc2)c2c(-c3ccccc3)nc3ccc(O)c4c3c2-c2ccccc2C4=O)C(=O)C1 ZINC000586991455 KK Annotated Anodyne C[C@@]12CCC3=Cc4nc5ccc(O)c6c5c(c4C[C@]3(C)[C@H]1CC[C@]1(C)[C@H](C(=O)CO)CC[C@H]21)-c1ccccc1C6=O ZINC000586991456 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2C(=O)CO ZINC000586991458 KK Annotated Anodyne C[C@@]12CCC3=Cc4nc5ccc(O)c6c5c(c4C[C@]3(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]1C(=O)CO)-c1ccccc1C6=O ZINC000586991461 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000586991466 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000586991469 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000586991470 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000586991471 KK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccc(O)c(O)c3)c(/C=C/CCc3ccc(O)c(O)c3)nc3ccc(O)c1c23 ZINC000586991482 KK Annotated Clean CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)[C@@]12C ZINC000586991493 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586991520 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13)-c1ccccc1C5=O ZINC000586991527 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]24CCC(=O)O4)[C@H]13)-c1ccccc1C5=O ZINC000586991534 KK Annotated Anodyne COc1cc(O)c(OC)c(O)c1-c1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O ZINC000586991546 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2C(=O)CO ZINC000586991656 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991665 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586991667 KK Annotated Clean CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@]21C)-c1ccccc1C7=O ZINC000586991692 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@@]21C)-c1ccccc1C7=O ZINC000586991695 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586991716 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586991722 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586991724 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586991726 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(-c5ccccc5)c5cc(Cl)ccc5n(C)c4=O)nc13)-c1ccccc1C2=O ZINC000586991739 KK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]43C)-c3ccccc3C7=O)[C@H]1CCC2=O ZINC000586991770 KK Annotated Anodyne O=C(C[C@H](c1ccccc1)c1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000586991773 KK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586991776 KK Annotated Anodyne O=C(C[C@@H](c1ccccc1)c1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O)c1ccccc1 ZINC000586991778 KK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586991779 KK Annotated Anodyne C[C@]12CC(=O)[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CCC2=O ZINC000586991783 KK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586991788 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586991796 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4ccc(O)c5c4c(c3CCCC)-c3ccccc3C5=O)[C@H]1C2 ZINC000586991797 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4ccc(O)c5c4c(c3CCCC)-c3ccccc3C5=O)[C@H]1C2 ZINC000586991803 KK Annotated Mild O=C1c2ccccc2-c2cc(C[C@@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586991807 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586991815 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586991819 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586991822 KK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2O ZINC000586991868 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000586991937 KK Annotated Mild Cc1ccc2c3c(cc(C(=NNc4ccc(Cl)cc4[N+](=O)[O-])C(=O)Nc4ccccc4Cl)nc13)-c1ccccc1C2=O ZINC000586991977 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4Cc5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000586991984 KK Annotated Mild CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1c1c(nc2ccc(O)c4c2c1-c1ccccc1C4=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000586992004 KK Annotated Anodyne COc1cc(CCC(=O)Cc2nc3ccc(O)c4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000586992012 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)C(C)(C)[C@H]2CC[C@]13C ZINC000586992013 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccc(Cl)cc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000586992015 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccc(Cl)cc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000586992017 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccc(Cl)cc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000586992020 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000586992022 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccc(Cl)cc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000586992024 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@@]2(O)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586992053 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@](O)(c5cc6c7c(c(O)ccc7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000586992059 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@](O)(c5cc6c7c(c(O)ccc7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000586992063 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@]2(O)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C1 ZINC000586992067 KK Annotated Anodyne Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992070 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6ccc(O)c7c6c5-c5ccccc5C7=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000586992071 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@@H](C)Oc5ccc(Cl)cc5Cl)c4)nc13)-c1ccccc1C2=O ZINC000586992083 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000586992087 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(NC(=O)[C@H](C)Oc5ccc(Cl)cc5Cl)c4)nc13)-c1ccccc1C2=O ZINC000586992090 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586992098 KK Annotated Anodyne CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586992104 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000586992130 KK Annotated Anodyne C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586992186 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586992187 KK Annotated Mild CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)Cc2c(nc4ccc(O)c5c4c2-c2ccccc2C5=O)C(C)(C)[C@@H]1CC3 ZINC000586992199 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586992261 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc3ccc(O)c1c23 ZINC000586992262 KK Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000586992263 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000586992268 KK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992272 KK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992273 KK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992275 KK Annotated Anodyne C[C@H](O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]4(C)[C@@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992276 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@H](c4cc5c6c(c(O)ccc6n4)C(=O)c4ccccc4-5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000586992286 KK Annotated Mild CCC[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000586992289 KK Annotated Anodyne C[C@]12Cc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O ZINC000586992304 KK Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3ccc(O)c4c3c1-c1ccccc1C4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000586992317 KK Annotated Anodyne CCCCCCCCCCCCCCCCc1c(CC(=O)c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992354 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](C[C@@H](Br)C5=CC(=O)CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000586992386 KK Annotated Reactive C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992387 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c(nc7ccc(O)c8c7c6-c6ccccc6C8=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000586992397 KK Annotated Mild CCCCCCC[C@H](O)Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000586992414 KK Annotated Mild Cc1ccc(-n2c(C)c(Br)c3c2CCc2c-3nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 ZINC000586992499 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992508 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992517 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000586992545 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586992548 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000586992549 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000586992550 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992551 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586992556 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)c1ccc(S(C)(=O)=O)c(COCC(F)(F)F)c1Cl)C(=O)CC4)-c1ccccc1C2=O ZINC000586992573 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)c1ccc(S(C)(=O)=O)c(COCC(F)(F)F)c1Cl)C(=O)CC4)-c1ccccc1C2=O ZINC000586992578 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)/C(=C/Cl)N2 ZINC000586992598 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(Cc1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)/C(=C\Cl)N2 ZINC000586992606 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)-c1ccccc1C7=O ZINC000586992628 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6c(C)ccc7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992634 KK Annotated Reactive C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992637 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)nc3ccc(O)c1c23 ZINC000586992655 KK Annotated Anodyne COc1c(C)c(O)c(C)c(O)c1-c1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O ZINC000586992685 KK Annotated Anodyne CC[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000586992686 KK Annotated Anodyne CC[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000586992687 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586992699 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586992765 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000586992766 KK Annotated Mild C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5CC4=C3C=C[C@@]21C)-c1ccccc1C7=O ZINC000586992800 KK Annotated Mild CCCCCCCCCCCCCCc1c(-c2c(O)oc(CO)c2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586992806 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)[C@H]2CCC(=O)C=C12 ZINC000586992813 KK Annotated Mild COC(=O)[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]2O)-c1ccccc1C5=O ZINC000586992814 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@]2(C)O ZINC000586992830 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@]2(C)O ZINC000586992831 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@]2(C)O ZINC000586992832 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@]2(C)O ZINC000586992833 KK Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3ccc(O)c4c3c1-c1ccccc1C4=O)[C@@H]1CCO[C@@H]1O2 ZINC000586992835 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C)-c1ccccc1C7=O ZINC000586992837 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)-c1ccccc1C7=O ZINC000586992838 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000586992839 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000586992840 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586992842 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586992843 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586992844 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccco1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586992845 KK Annotated Anodyne O=C1c2ccccc2-c2c(CCCc3ccc(O)cc3)c(CCc3ccc(O)cc3)nc3ccc(O)c1c23 ZINC000586992847 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3ccc(O)c1c23 ZINC000586992848 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3ccc(O)c1c23 ZINC000586992849 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3ccc(O)c1c23 ZINC000586992850 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3ccc(O)c1c23 ZINC000586992851 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000586992857 KK Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586992876 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586992877 KK Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586992878 KK Annotated Anodyne Cc1ccc2c3c(c(CCc4ccc(Br)cc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586992910 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000586992931 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1cc(Br)cc(Br)c1CC4)-c1ccccc1C2=O ZINC000586992937 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(C(=O)C(Cl)(Cl)Cl)[nH]c4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000586992955 KK Annotated Bother Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)CC4)-c1ccccc1C2=O ZINC000586992986 KK Annotated Bother Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)CC4)-c1ccccc1C2=O ZINC000586992991 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)nc3ccc(O)c1c23 ZINC000586993014 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)nc3ccc(O)c1c23 ZINC000586993017 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)nc3ccc(O)c1c23 ZINC000586993021 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)nc3ccc(O)c1c23 ZINC000586993023 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1c(c(Br)c(Br)c3c1CCO3)C4)-c1ccccc1C2=O ZINC000586993045 KK Annotated Anodyne Cc1ccc2c3c(cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993056 KK Annotated Mild C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586993086 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586993089 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586993091 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586993092 KK Annotated Anodyne CC(=O)N1CCN(Cc2cc(Cl)cc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2O)CC1 ZINC000586993100 KK Annotated Clean Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 ZINC000586993114 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000586993116 KK Annotated Reactive Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3c(C)ccc4c3c2-c2ccccc2C4=O)cc1 ZINC000586993117 KK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C(=O)O)c4cccc(Cl)c4)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993128 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](C(=O)O)c4cccc(Cl)c4)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993130 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C4)-c1ccccc1C2=O ZINC000586993152 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C4)-c1ccccc1C2=O ZINC000586993156 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586993157 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586993158 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000586993159 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000586993164 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586993168 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000586993170 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000586993172 KK Annotated Mild COc1cc(O)c(-c2nc3ccc(O)c4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(O)c1OC ZINC000586993213 KK Annotated Anodyne COC(=O)[C@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993234 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993235 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993250 KK Annotated Mild O=C1c2ccccc2-c2cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nc3ccc(O)c1c23 ZINC000586993259 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)-c1ccccc1C7=O ZINC000586993272 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586993277 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6ccc(O)c7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586993278 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586993282 KK Annotated Mild Cc1nc2ccc(Br)cc2c(Cl)c1CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586993323 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993349 KK Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586993352 KK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O ZINC000586993355 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586993367 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@](c1ccccc1Cl)(N(C)C(=O)CCl)CCC4)-c1ccccc1C2=O ZINC000586993384 KK Annotated Reactive Cc1ccc2c3c(c4c(nc13)[C@@](c1ccccc1Cl)(N(C)C(=O)CCl)CCC4)-c1ccccc1C2=O ZINC000586993386 KK Annotated Reactive O=C1CCCC2=C1[C@@H]([C@H]1C(=O)CCc3c1nc1ccc(O)c4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000586993398 KK Annotated Mild O=C1CCCC2=C1[C@@H]([C@@H]1C(=O)CCc3c1nc1ccc(O)c4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000586993401 KK Annotated Mild O=C1CCCC2=C1[C@H]([C@@H]1C(=O)CCc3c1nc1ccc(O)c4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000586993405 KK Annotated Mild O=C1CCCC2=C1[C@H]([C@H]1C(=O)CCc3c1nc1ccc(O)c4c1c3-c1ccccc1C4=O)c1ccccc1O2 ZINC000586993408 KK Annotated Mild CCOC(=O)CCc1nc2c(C)ccc3c2c(c1CC(=O)c1ccc(Br)cc1)-c1ccccc1C3=O ZINC000586993417 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C ZINC000586993422 KK Annotated Anodyne C[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 ZINC000586993429 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993476 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993479 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993481 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)c5ccc(Br)o5)cc4)nc13)-c1ccccc1C2=O ZINC000586993485 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993487 KK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993495 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993506 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993509 KK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586993512 KK Annotated Anodyne CCCCCCc1nc2ccc(O)c3c2c(c1CCCCCCCCCC(=O)OC)-c1ccccc1C3=O ZINC000586993539 KK Annotated Anodyne CCCCCCCCCCCCCc1nc2ccc(O)c3c2c(c1CCC(=O)OC)-c1ccccc1C3=O ZINC000586993580 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000586993599 KK Annotated Anodyne CCCOc1ccn2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000586993602 KK Annotated Anodyne Cc1ccc2c3c(cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993604 KK Annotated Mild O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1=C(CC3)Oc2ccccc2[C@@H]1C1C(=O)CCCC1=O ZINC000586993618 KK Annotated Anodyne CCCCCc1c(CCCCCCCCCCC(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993620 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C1=C(CC3)Oc2ccccc2[C@H]1C1C(=O)CCCC1=O ZINC000586993625 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000586993638 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000586993641 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000586993645 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000586993650 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6ccc(O)c7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586993682 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993683 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993684 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993687 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993691 KK Annotated Anodyne COc1cc(CC[C@H](O)Cc2nc3ccc(O)c4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000586993707 KK Annotated Anodyne COc1cc(CC[C@@H](O)Cc2nc3ccc(O)c4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000586993710 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000586993736 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000586993738 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000586993741 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@@H](c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000586993744 KK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(OCc5ccccc5C(F)(F)F)c5nc(O)ccc45)nc13)-c1ccccc1C2=O ZINC000586993751 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)nc5ccc(Br)cc5c4-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000586993755 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(N5COc6ccc(Br)cc6C5)c4)nc13)-c1ccccc1C2=O ZINC000586993772 KK Annotated Anodyne Cc1ccc2c3c(c(CCN4C(=O)c5ccccc5C4=O)c(CBr)nc13)-c1ccccc1C2=O ZINC000586993793 KK Annotated Reactive COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CSc1nc2ccccc2s1 ZINC000586993810 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(Br)ccc4NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586993821 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993823 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000586993824 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000586993827 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1[C@H](Br)C[C@H]3[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000586993844 KK Annotated Reactive O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2ccccc2Br)nc1CC3 ZINC000586993848 KK Annotated Anodyne CCCCCCc1c(-c2cc3c(Br)sc(Br)c3s2)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993871 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCc3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)-c3ccccc32)cc1 ZINC000586993889 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000586993891 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586993895 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586993896 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586993897 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586993898 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ncc(C(F)(F)F)cc5Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586993910 KK Annotated Anodyne Cc1ccc(COc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2Cl)cc1[N+](=O)[O-] ZINC000586993912 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993916 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993920 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)nc3ccc(O)c1c23 ZINC000586993921 KK Annotated Unstable CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993922 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993925 KK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586993938 KK Annotated Mild Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993964 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993966 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993967 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586993970 KK Annotated Anodyne Cc1ccc2c3c(cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586993971 KK Annotated Mild Cc1c([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586993986 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](C(=O)O)c4ccc(C(C)C)cc4)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586994030 KK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C(=O)O)c4ccc(C(C)C)cc4)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586994031 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)c5c(Br)cnn5C)cc4)nc13)-c1ccccc1C2=O ZINC000586994041 KK Annotated Anodyne CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994065 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(Br)c5ccccc5n4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586994130 KK Annotated Anodyne Cc1c([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994135 KK Annotated Anodyne Cc1c([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994136 KK Annotated Anodyne Cc1c([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O ZINC000586994138 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)cc1OCC ZINC000586994149 KK Annotated Anodyne O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000586994162 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000586994167 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000586994168 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000586994169 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000586994170 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=Cc3nc4ccc(O)c5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000586994189 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 ZINC000586994190 KK Annotated Anodyne Cc1c(O[C@@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCCC3 ZINC000586994192 KK Annotated Anodyne Cc1c(O[C@H](C)c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc2c3c(c(=O)oc12)CCCC3 ZINC000586994193 KK Annotated Anodyne COC1=Cc2nc3c(C)ccc4c3c(c2[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O)-c1ccccc1C4=O ZINC000586994231 KK Annotated Anodyne CCOc1ccc(-c2c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000586994235 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994263 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994264 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994265 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994267 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000586994271 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000586994285 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)c5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000586994318 KK Annotated Anodyne COc1ccc(-c2c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000586994344 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCC ZINC000586994345 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1OCC ZINC000586994346 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586994349 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586994355 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586994357 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O ZINC000586994360 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1sc(-c2ccc(Br)cc2)nc1CC3 ZINC000586994376 KK Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4c(sc5c4CCCC5)N/C3=C/Cl)nc3ccc(O)c1c23 ZINC000586994391 KK Annotated Anodyne O=C1c2ccccc2-c2cc(CN3C(=O)c4c(sc5c4CCCC5)N/C3=C\Cl)nc3ccc(O)c1c23 ZINC000586994395 KK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586994409 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(CBr)CC[C@H]4[C@]1(C)CBr)-c1ccccc1C2=O ZINC000586994418 KK Annotated Reactive Cc1ccc2c3c(cc(-c4ccccc4OCc4ccc(Br)cc4)nc13)-c1ccccc1C2=O ZINC000586994419 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586994422 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586994423 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586994424 KK Annotated Anodyne Cc1nc2ccc(O)c3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000586994425 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000586994450 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000586994451 KK Annotated Mild O=C1c2ccccc2-c2cc([C@H](O)[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994468 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994469 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994470 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3ccc(O)c1c23 ZINC000586994471 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3ccc(O)c1c23 ZINC000586994474 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3ccc(O)c1c23 ZINC000586994475 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3ccc(O)c1c23 ZINC000586994476 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3ccc(O)c1c23 ZINC000586994477 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(S(=O)(=O)Cl)ccc3Br)nc3ccc(O)c1c23 ZINC000586994493 KK Annotated Unstable C[C@H]1CCCc2nc3ccc(O)c4c3c(c2CCCCc2cc(O)cc(O)c2C(=O)O1)-c1ccccc1C4=O ZINC000586994504 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)s2)C2CC2)cc1 ZINC000586994519 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000586994566 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5ccc(O)c6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000586994567 KK Annotated Mild CS(=O)(=O)c1ccc(C2=C(Br)c3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)cc1 ZINC000586994575 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C ZINC000586994580 KK Annotated Reactive O=C1c2ccccc2-c2cc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)nc3ccc(O)c1c23 ZINC000586994616 KK Annotated Anodyne Cc1ccc2c3c(cc(/C=C/c4c(Br)cccc4OC(F)(F)F)nc13)-c1ccccc1C2=O ZINC000586994644 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)-c1ccccc1C7=O ZINC000586994648 KK Annotated Anodyne Cc1ccc2c3c(cc(/C=C/c4ccccc4Oc4ccc(Br)cc4F)nc13)-c1ccccc1C2=O ZINC000586994657 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Oc5ccc(F)cc5Br)cc4)nc13)-c1ccccc1C2=O ZINC000586994695 KK Annotated Anodyne Cc1ccc2c3c(c([C@@H](C(=O)O)c4cccc(F)c4)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586994707 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](C(=O)O)c4cccc(F)c4)c(-c4ccc(Cl)cc4)nc13)-c1ccccc1C2=O ZINC000586994708 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCNc4ccc(Br)cc4)[nH]c3cc21 ZINC000586994760 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OCC(=O)Nc4ccc(Br)cc4)c(OC)c3)[nH]c21 ZINC000586994772 KK Annotated Clean COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994800 KK Annotated Anodyne Cc1c(Cl)ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586994801 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586994824 KK Annotated Anodyne Cc1ccc2c3c(c(C[C@@H]4C(=O)C=C[C@@]5(C)[C@H]4[C@@H]4CC[C@H]5O4)c(CNc4c(O)ccc(C(=O)O)c4O)nc13)-c1ccccc1C2=O ZINC000586994836 KK Annotated Mild Cc1ccc2c3c(c(C[C@H]4C(=O)C=C[C@@]5(C)[C@H]4[C@@H]4CC[C@H]5O4)c(CNc4c(O)ccc(C(=O)O)c4O)nc13)-c1ccccc1C2=O ZINC000586994842 KK Annotated Mild Cc1ccc2c3c(c(C[C@@H]4C(=O)C=C[C@]5(C)[C@H]6CC[C@H](O6)[C@H]45)c(CNc4c(O)ccc(C(=O)O)c4O)nc13)-c1ccccc1C2=O ZINC000586994844 KK Annotated Mild Cc1ccc2c3c(c(C[C@H]4C(=O)C=C[C@]5(C)[C@H]6CC[C@H](O6)[C@H]45)c(CNc4c(O)ccc(C(=O)O)c4O)nc13)-c1ccccc1C2=O ZINC000586994847 KK Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994854 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5c(C)ccc6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 ZINC000586994855 KK Annotated Reactive COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994861 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)c(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994867 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)nc4)nc13)-c1ccccc1C2=O ZINC000586994871 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994889 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994906 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(C)ccc5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@H]1c1ccccc1F ZINC000586994912 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994922 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(C)ccc5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@@H]1c1ccccc1F ZINC000586994924 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(C)ccc5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@@H]1c1ccccc1F ZINC000586994926 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(C)ccc5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@H]1c1ccccc1F ZINC000586994932 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994943 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)cc(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994967 KK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586994970 KK Annotated Reactive CC(C)COc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586994975 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586994977 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586994978 KK Annotated Mild O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586994997 KK Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995000 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c21 ZINC000586995008 KK Annotated Clean COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Br)c(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995019 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995029 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995039 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000586995046 KK Annotated Bother Cc1ccc2c3c(cc(CC(=O)Nc4ccc(I)cc4)nc13)-c1ccccc1C2=O ZINC000586995047 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995051 KK Annotated Anodyne Cc1cc(Br)cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995052 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995058 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c21 ZINC000586995060 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3cn[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995064 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995066 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995068 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000586995071 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995077 KK Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995086 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995088 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995094 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(C(C)(C)C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995097 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000586995100 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995103 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995109 KK Annotated Anodyne Nc1ccnc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586995140 KK Annotated Anodyne CCc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995141 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000586995145 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995148 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995152 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586995161 KK Annotated Mild CS(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995163 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995177 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995179 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 ZINC000586995180 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(I)c2[nH]1 ZINC000586995183 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000586995184 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995189 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995192 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)ncc2[nH]1 ZINC000586995195 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000586995197 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995205 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000586995208 KK Annotated Bother CC1=C(c2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000586995209 KK Annotated Anodyne Cc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000586995221 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@H](Cc5ccc(Br)cc5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000586995231 KK Annotated Anodyne Cc1c(F)ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995237 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000586995241 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000586995246 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995247 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586995250 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 ZINC000586995253 KK Annotated Reactive O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995259 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586995265 KK Annotated Anodyne NNC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995267 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000586995270 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000586995274 KK Annotated Anodyne Cc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000586995278 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995280 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995283 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000586995289 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995293 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000586995295 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000586995299 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000586995304 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995308 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(CCO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995312 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000586995313 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586995347 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995349 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995352 KK Annotated Anodyne CCCOc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586995357 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995358 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995365 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Cl)c(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995367 KK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586995383 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586995384 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995394 KK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc(I)cc4)nc13)-c1ccccc1C2=O ZINC000586995405 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995406 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)nc2c1 ZINC000586995420 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995432 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586995443 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2F)c1 ZINC000586995453 KK Annotated Anodyne Cc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000586995454 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995457 KK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995464 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C4)-c1ccccc1C2=O ZINC000586995484 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C4)-c1ccccc1C2=O ZINC000586995489 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995492 KK Annotated Anodyne Cc1cc(I)cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1NC(=O)C(F)(F)F ZINC000586995493 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)Oc4ccc(Br)cc4)[nH]c3cc21 ZINC000586995496 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586995497 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995504 KK Annotated Anodyne CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586995505 KK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000586995506 KK Annotated Anodyne Cc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586995507 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586995510 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995512 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586995519 KK Annotated Anodyne CCCOc1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586995521 KK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586995532 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995533 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2cc1Br ZINC000586995546 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586995564 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]3(F)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000586995566 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995609 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995626 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995630 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@](NC(=O)OCC1c3ccccc3-c3ccccc31)(C(=O)O)C4)-c1ccccc1C2=O ZINC000586995632 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586995633 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995635 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000586995636 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNc3ccc(Br)cc3)[nH]c21 ZINC000586995639 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(I)cnc2[nH]1 ZINC000586995644 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000586995656 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995660 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)nc5ccc(Cl)cc5c4-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586995666 KK Annotated Anodyne CCCOc1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586995667 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000586995670 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995676 KK Annotated Anodyne C=CCc1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995680 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995686 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995694 KK Annotated Reactive O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586995698 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995705 KK Annotated Anodyne Nc1nccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995708 KK Annotated Anodyne Cc1cc(Cl)cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995715 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000586995720 KK Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000586995729 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995731 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(I)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995739 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000586995745 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c21 ZINC000586995750 KK Annotated Clean Cc1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995756 KK Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586995762 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000586995766 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000586995771 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586995775 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995776 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995778 KK Annotated Anodyne Nc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000586995781 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586995782 KK Annotated Anodyne N#Cc1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995787 KK Annotated Mild COc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000586995789 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(-n3cnnn3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995792 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000586995801 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995802 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(CO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995804 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cncc(Br)c2[nH]1 ZINC000586995805 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586995806 KK Annotated Anodyne N#Cc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C#N ZINC000586995807 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000586995808 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995809 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586995810 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@@H](Cc5ccc(Br)cc5)NC(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000586995812 KK Annotated Anodyne Cc1c(Br)cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000586995813 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586995815 KK Annotated Anodyne Cc1cc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000586995816 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995817 KK Annotated Anodyne Nc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1N ZINC000586995818 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3ccccc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995819 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OCCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000586995821 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995822 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000586995823 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000586995824 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995825 KK Annotated Anodyne C=CCc1cccc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c12 ZINC000586995826 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586995828 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995829 KK Annotated Anodyne NC(=O)c1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586995831 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000586995832 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@](NC(=O)OCC1c3ccccc3-c3ccccc31)(C(=O)O)C4)-c1ccccc1C2=O ZINC000586995838 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C(C)(C)C)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995841 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995847 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000586995848 KK Annotated Anodyne O=C1COc2cc3[nH]c(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)nc3cc2N1 ZINC000586995849 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995855 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995859 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995861 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(Nc5c6ccccc6nc6occc56)cc4)nc13)-c1ccccc1C2=O ZINC000586995879 KK Annotated Anodyne Cc1ccc2c3c(c(CCCC4OCCO4)c([C@@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995884 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995887 KK Annotated Anodyne Cc1ccc2c3c(c(CCCC4OCCO4)c([C@H](C)NC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000586995889 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4O[C@@H](Oc5cc6ccc(Br)cc6cc5C(=O)Nc5ccccc5OC)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3cc21 ZINC000586995896 KK Annotated Clean COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995905 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995907 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995908 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995914 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586995917 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586995921 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586995924 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586995927 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000586995928 KK Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995930 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995941 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995942 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(OC(C)C)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995948 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586995956 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586995994 KK Annotated Reactive O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996010 KK Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996011 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996029 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996030 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)CI)cc4)nc13)-c1ccccc1C2=O ZINC000586996036 KK Annotated Reactive O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996039 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996057 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000586996066 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996071 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996073 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586996075 KK Annotated Anodyne Cc1ccc2c3c(c(CCC(=O)N4C(=O)OC[C@@H]4c4ccccc4)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586996076 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000586996077 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000586996079 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](c2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000586996119 KK Annotated Mild Cc1ccc2c3c(cc(-c4ccc(OCc5ccc(F)cc5)c5nc(O)ccc45)nc13)-c1ccccc1C2=O ZINC000586996120 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996174 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996200 KK Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996219 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 ZINC000586996272 KK Annotated Anodyne Cc1ccc2c3c(c(CCN4CC=C(n5c(O)nc6ccccc65)CC4)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586996306 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586996317 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586996319 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586996327 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996329 KK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000586996334 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996336 KK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000586996337 KK Annotated Anodyne CC(C)Oc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586996338 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996352 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996353 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000586996355 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996356 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996357 KK Annotated Anodyne COC(=O)c1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586996360 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000586996362 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H](Cc5ccc(Br)cc5)NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000586996363 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996364 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586996368 KK Annotated Bother Nc1ccc(Oc2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000586996369 KK Annotated Clean CC(C)CCOc1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586996370 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000586996371 KK Annotated Anodyne CC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586996372 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)OCC1c2ccccc2-c2ccccc21 ZINC000586996374 KK Annotated Anodyne Nc1ncnc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586996375 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586996377 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996378 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996379 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996381 KK Annotated Anodyne Cc1nc2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2cc1Br ZINC000586996386 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586996388 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996390 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996393 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(F)cnc(Br)c2[nH]1 ZINC000586996395 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)Oc4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586996396 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586996398 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc1-2 ZINC000586996400 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000586996401 KK Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586996408 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996409 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000586996411 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996415 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996416 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)c(C)c(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996417 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996418 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586996421 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000586996424 KK Annotated Anodyne COc1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586996427 KK Annotated Anodyne N=c1[nH]c2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2c(Cl)[nH]1 ZINC000586996433 KK Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586996439 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](Cc4ccc(Br)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000586996441 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996442 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c(O)c2[nH]1 ZINC000586996444 KK Annotated Anodyne N=c1[nH]cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2[nH]1 ZINC000586996445 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996446 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996449 KK Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996453 KK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586996454 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000586996458 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1)C(=O)OCC ZINC000586996473 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996484 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586996487 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996492 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586996499 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996504 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586996510 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586996511 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 ZINC000586996513 KK Annotated Anodyne CC(C)(C)c1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586996516 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586996519 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996522 KK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000586996523 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996537 KK Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996539 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3c(cc2[nH]1)OCO3)OCC1c2ccccc2-c2ccccc21 ZINC000586996552 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996558 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996562 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996568 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNc4ccc(Br)cc4)[nH]c3cc21 ZINC000586996578 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996579 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996580 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996583 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996592 KK Annotated Mild O[C@H](c1ccc(Br)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586996617 KK Annotated Reactive COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996620 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996629 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OCC(=O)Nc5ccc(Br)cc5)c(OC)c4)[nH]c3cc21 ZINC000586996633 KK Annotated Clean COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996636 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996638 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996641 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996642 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3O[C@@H](Oc4cc5ccc(Br)cc5cc4C(=O)Nc4ccccc4OC)[C@H](O)[C@@H](O)[C@@H]3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000586996647 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)Oc4ccc(Br)cc4)[nH]c3cc21 ZINC000586996666 KK Annotated Clean N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586996671 KK Annotated Anodyne Cc1ccc2c3c(cc(Cc4c([N+](=O)[O-])ccc(OCc5ccccc5)c4F)nc13)-c1ccccc1C2=O ZINC000586996693 KK Annotated Bother CCCCCCCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586996721 KK Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996727 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586996744 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@H]4O[C@@H](Oc5cc6ccc(Br)cc6cc5C(=O)Nc5ccccc5OC)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3c2)cc1 ZINC000586996754 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996773 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996789 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996798 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586996803 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586996809 KK Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996830 KK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586996833 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586996848 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)nc5ccc(F)cc5c4-c4ccc(F)c(F)c4)nc13)-c1ccccc1C2=O ZINC000586996864 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996875 KK Annotated Anodyne Cc1ccc2c3c(c(C[C@H]4C(=O)N(c5ccc(F)cc5)[C@@H]4c4ccc(OCc5ccccc5)cc4)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586996879 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996887 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996899 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586996905 KK Annotated Anodyne CCCOc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586996976 KK Annotated Anodyne CCCOc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586996977 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586996978 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586996982 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3c2)cc1 ZINC000586996985 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586996997 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586997000 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586997015 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586997022 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c21 ZINC000586997030 KK Annotated Clean CCCCCCCCOc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997040 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc21 ZINC000586997046 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000586997053 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586997054 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc21 ZINC000586997055 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586997056 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1N ZINC000586997057 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997070 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997075 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1 ZINC000586997079 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1 ZINC000586997084 KK Annotated Anodyne N#Cc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000586997095 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997117 KK Annotated Anodyne Cc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997131 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C\c5cc6c(cc5Br)OCO6)[nH]c4c3)cc2)CC1 ZINC000586997133 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000586997135 KK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000586997142 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C/c5cc6c(cc5Br)OCO6)[nH]c4c3)cc2)CC1 ZINC000586997149 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000586997153 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc1-2 ZINC000586997168 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997172 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc1-2 ZINC000586997176 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997189 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997196 KK Annotated Anodyne N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 ZINC000586997206 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000586997208 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586997211 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc2cc1Br ZINC000586997214 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586997219 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586997222 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000586997225 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000586997235 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586997242 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586997250 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C(C)(C)Oc4ccc(Br)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586997279 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586997282 KK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4cc(Br)c(Br)cc4[nH]3)o2)cc1 ZINC000586997299 KK Annotated Anodyne Cc1cnc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586997303 KK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4cc(Br)c(Br)cc4[nH]3)o2)cc1 ZINC000586997309 KK Annotated Anodyne Cc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586997314 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997320 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997325 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997359 KK Annotated Anodyne Cc1ccc2c3c(c(C[C@H]4C(=O)N(c5ccc(F)cc5)[C@@H]4c4ccc(O)cc4)c(-c4ccc(F)cc4)nc13)-c1ccccc1C2=O ZINC000586997372 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2cc1Br ZINC000586997374 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c21 ZINC000586997375 KK Annotated Clean O=[N+]([O-])c1c(Br)ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586997379 KK Annotated Bother CC(C)(Oc1ccc(Br)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000586997380 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586997385 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997392 KK Annotated Anodyne CN1CCN(c2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000586997395 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997397 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c21 ZINC000586997400 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997401 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586997411 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997413 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5O[C@@H](Oc6cc7ccc(Br)cc7cc6C(=O)Nc6ccccc6OC)[C@H](O)[C@@H](O)[C@@H]5O)[nH]c4c3)o2)cc1 ZINC000586997429 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000586997435 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000586997437 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997440 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000586997444 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586997453 KK Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997461 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Br ZINC000586997462 KK Annotated Anodyne O=C1CCc2cc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc2N1 ZINC000586997485 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)cc(C)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997492 KK Annotated Anodyne CC(C)(Oc1ccc(Br)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586997496 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 ZINC000586997497 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000586997506 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997512 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586997516 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997517 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997519 KK Annotated Mild CC(C)Oc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997523 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997527 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997530 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586997537 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997540 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997548 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997554 KK Annotated Reactive O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997555 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997564 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(Br)ccnc2[nH]1 ZINC000586997567 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586997570 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586997574 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997577 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997588 KK Annotated Reactive CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586997603 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997604 KK Annotated Anodyne N#Cc1nc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2nc1C#N ZINC000586997606 KK Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(C)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997607 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997608 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997610 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586997615 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000586997620 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000586997624 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586997626 KK Annotated Anodyne COc1cncc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586997629 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997633 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997634 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997640 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586997643 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997648 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000586997670 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000586997696 KK Annotated Anodyne N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(Br)cc1 ZINC000586997703 KK Annotated Bother Cc1c(Br)cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000586997708 KK Annotated Anodyne N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(Br)cc1 ZINC000586997722 KK Annotated Anodyne N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(Br)cc1 ZINC000586997733 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1Br ZINC000586997746 KK Annotated Anodyne N[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1 ZINC000586997763 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)c3ccc(Br)cc3)[nH]c21 ZINC000586997772 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586997794 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H](O)c3ccc(Br)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586997797 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5ccc(-c6ccc(Br)cc6)o5)[nH]c4c3)o2)cc1 ZINC000586997805 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5ccc(-c6ccc(Br)cc6)o5)[nH]c4c3)o2)cc1 ZINC000586997809 KK Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(Br)cc1 ZINC000586997814 KK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3c(Br)ccc(Br)c3[nH]1)OCO2 ZINC000586997836 KK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3c(Br)ccc(Br)c3[nH]1)OCO2 ZINC000586997837 KK Annotated Anodyne Cc1cncc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586997838 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2cc1Br ZINC000586997843 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccnc(Br)c2[nH]1 ZINC000586997852 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997857 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)c(Nc5ccccc5)c(C(=O)OC)cc4[nH]3)cc2cc1Br ZINC000586997861 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997862 KK Annotated Bother FC(F)(F)c1c(Br)ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 ZINC000586997863 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4O[C@@H](Oc5cc6ccc(Br)cc6cc5C(=O)Nc5ccccc5OC)[C@H](O)[C@@H](O)[C@@H]4O)[nH]c3c2)cc1 ZINC000586997868 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586997869 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997872 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586997873 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000586997875 KK Annotated Anodyne COc1ccc2c(c1I)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586997881 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997882 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586997883 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cnncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997884 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997886 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](Cc5ccc(Br)cc5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000586997889 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586997891 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997896 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586997903 KK Annotated Bother O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cccc(OCc3ccccc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997909 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc2cc1Br ZINC000586997918 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997924 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997928 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997930 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000586997936 KK Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997939 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586997946 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586997950 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2cc1Br ZINC000586997959 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586997980 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000586997983 KK Annotated Reactive O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586997985 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997987 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586997994 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998001 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586998005 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998008 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998010 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998018 KK Annotated Anodyne COc1nccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000586998033 KK Annotated Anodyne CC(C)COc1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000586998037 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586998038 KK Annotated Clean Cc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000586998043 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000586998048 KK Annotated Reactive Cc1nc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000586998055 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2ccc(I)cc2[nH]1 ZINC000586998061 KK Annotated Anodyne Cc1cc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000586998067 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586998070 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c21 ZINC000586998078 KK Annotated Clean N#Cc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586998084 KK Annotated Mild Cc1ccnc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586998087 KK Annotated Anodyne NC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586998092 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000586998093 KK Annotated Anodyne CSc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000586998101 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998110 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c3cc21 ZINC000586998112 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)c(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998116 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000586998121 KK Annotated Clean O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998127 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](Cc4ccc(Br)cc4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000586998136 KK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000586998146 KK Annotated Mild O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cnccc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998152 KK Annotated Anodyne Cc1nccc2[nH]c(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000586998154 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000586998157 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998158 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000586998163 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998165 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586998166 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586998171 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3cc4c(cc3Br)OCO4)nc1-2 ZINC000586998172 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 ZINC000586998175 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586998176 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3cc4c(cc3Br)OCO4)nc1-2 ZINC000586998178 KK Annotated Anodyne COc1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586998179 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000586998181 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000586998186 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998191 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000586998198 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000586998209 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998215 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@@H](Cc3ccc(Br)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000586998223 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000586998228 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998237 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998241 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6CCC7=CC(NOCC(=O)O)=CC[C@]7(C)[C@H]6CC[C@]45C)nc13)-c1ccccc1C2=O ZINC000586998243 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998247 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2cc1Br ZINC000586998258 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000586998277 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000586998278 KK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998293 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998294 KK Annotated Anodyne CCCCCOc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998297 KK Annotated Anodyne CCCCCOc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998298 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998309 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998310 KK Annotated Anodyne CCCCOc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998318 KK Annotated Anodyne CCCCOc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998319 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998328 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998329 KK Annotated Anodyne Brc1ccc(COc2ccccc2-c2nc3cc(I)cnc3[nH]2)cc1 ZINC000586998337 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 ZINC000586998344 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998347 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc21 ZINC000586998348 KK Annotated Clean CC(C)CCOc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998349 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3cc21 ZINC000586998352 KK Annotated Clean Brc1ccc(COc2ccccc2-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000586998354 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998362 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998363 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586998364 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998365 KK Annotated Bother COC(=O)c1cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c(F)c1Nc1ccccc1 ZINC000586998366 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c21 ZINC000586998372 KK Annotated Clean Brc1ccc(-c2ccc(/C=C/c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586998376 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c21 ZINC000586998377 KK Annotated Clean Brc1ccc(-c2ccc(/C=C\c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)o2)cc1 ZINC000586998378 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586998379 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586998381 KK Annotated Bother FC(F)(F)Oc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998383 KK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998384 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3cc21 ZINC000586998391 KK Annotated Clean CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)cc2cc1Br ZINC000586998392 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998394 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998395 KK Annotated Reactive COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998416 KK Annotated Clean CCCCCCCCOc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998436 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998437 KK Annotated Mild COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(SC)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998438 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998440 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998441 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998462 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998463 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998482 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998483 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998485 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586998486 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586998505 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586998514 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586998515 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998518 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586998519 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3cc21 ZINC000586998553 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3cc21 ZINC000586998557 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998575 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998579 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(I)ccc4[nH]3)cc2cc1Br ZINC000586998593 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(C(=O)OC)cc4[nH]3)cc2cc1Br ZINC000586998606 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998612 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998619 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998631 KK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998651 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998652 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2cc1Br ZINC000586998659 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2cc1Br ZINC000586998661 KK Annotated Clean Brc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998673 KK Annotated Anodyne Brc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586998674 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586998687 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586998688 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 ZINC000586998702 KK Annotated Reactive FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998722 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998723 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2cc1Br ZINC000586998738 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998745 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998746 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998786 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc2cc1Br ZINC000586998789 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2cc1Br ZINC000586998818 KK Annotated Reactive CCOc1cc2oc(=O)c(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2cc1Br ZINC000586998821 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998825 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586998826 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998832 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998833 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc2cc1Br ZINC000586998834 KK Annotated Anodyne COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586998838 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1 ZINC000586998852 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3c2)cc1 ZINC000586998853 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(C(=O)Nc5ccc(C(F)(F)F)cc5)cccc4[nH]3)cc2cc1Br ZINC000586998865 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998893 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586998894 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586998906 KK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1 ZINC000586998909 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4ccc(-c5ccc(Br)cc5)o4)[nH]c3c2)cc1 ZINC000586998910 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000586998911 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586998924 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998926 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1 ZINC000586998927 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000586998940 KK Annotated Bother Brc1ccc(COc2ccccc2-c2nc3ccc(I)cc3[nH]2)cc1 ZINC000586998973 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998981 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 ZINC000586998982 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586998986 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2cc1Br ZINC000586999002 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(I)cccc4[nH]3)cc2cc1Br ZINC000586999009 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cc6c(cc5Br)OCO6)[nH]c4c3)o2)cc1 ZINC000586999013 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cc6c(cc5Br)OCO6)[nH]c4c3)o2)cc1 ZINC000586999014 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2cc1Br ZINC000586999031 KK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)OCO2 ZINC000586999042 KK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)OCO2 ZINC000586999043 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2cc1Br ZINC000586999046 KK Annotated Bother COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc4nc(C)ccc4c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O ZINC000586999060 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4cc5c(cc4Br)OCO5)[nH]c3cc21 ZINC000586999066 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4cc5c(cc4Br)OCO5)[nH]c3cc21 ZINC000586999067 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)ccc4[nH]3)cc2cc1Br ZINC000586999075 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3OCc3ccc(Br)cc3)nc1-2 ZINC000586999085 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C/c5ccc(-c6ccc(Br)cc6)o5)[nH]c4c3)cc2)CC1 ZINC000586999112 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C\c5ccc(-c6ccc(Br)cc6)o5)[nH]c4c3)cc2)CC1 ZINC000586999113 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4OCc4ccc(Br)cc4)[nH]c3cc21 ZINC000586999132 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586999138 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccccc3OCc3ccc(Br)cc3)nc-2[nH]1 ZINC000586999159 KK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4c(Br)ccc(Br)c4[nH]3)o2)cc1 ZINC000586999161 KK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4c(Br)ccc(Br)c4[nH]3)o2)cc1 ZINC000586999162 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 ZINC000586999172 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2cc1Br ZINC000586999180 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)cc2cc1Br ZINC000586999203 KK Annotated Anodyne Brc1cc2c(cc1/C=C/c1nc3c(Br)cnc(Br)c3[nH]1)OCO2 ZINC000586999219 KK Annotated Anodyne Brc1cc2c(cc1/C=C\c1nc3c(Br)cnc(Br)c3[nH]1)OCO2 ZINC000586999220 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2cc1Br ZINC000586999226 KK Annotated Bother FC(F)(F)Oc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586999234 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1Br ZINC000586999235 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999238 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 ZINC000586999239 KK Annotated Reactive CCCCOc1cc2[nH]c(-c3cc4cc(Br)c(OCC)cc4oc3=O)nc2cc1Br ZINC000586999241 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c(F)c1Nc1ccccc1 ZINC000586999267 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c(F)c1Nc1ccccc1 ZINC000586999268 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2cc1Br ZINC000586999271 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586999280 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 ZINC000586999281 KK Annotated Anodyne Brc1ccc(-c2ccc(/C=C/c3nc4c(Br)cnc(Br)c4[nH]3)o2)cc1 ZINC000586999297 KK Annotated Anodyne Brc1ccc(-c2ccc(/C=C\c3nc4c(Br)cnc(Br)c4[nH]3)o2)cc1 ZINC000586999298 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586999306 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586999307 KK Annotated Anodyne Clc1ncc(I)c2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999308 KK Annotated Anodyne Clc1ncc(I)c2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 ZINC000586999309 KK Annotated Anodyne CC(C)COc1cc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586999339 KK Annotated Anodyne CC(C)COc1cc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Br ZINC000586999340 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999344 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 ZINC000586999345 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc4cc(Br)c(OCC)cc4oc3=O)[nH]c2c1 ZINC000586999368 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2cc1Br ZINC000586999386 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2cc1Br ZINC000586999387 KK Annotated Bother CCOc1cc2oc(=O)c(-c3nc4c5c(ccc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2cc1Br ZINC000586999400 KK Annotated Clean CCCCCOc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000586999450 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)Nc5ccccc5Cl)ccc4[nH]3)cc2cc1Br ZINC000586999452 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000586999458 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000586999469 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3cc21 ZINC000586999471 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3cc21 ZINC000586999480 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2cc1Br ZINC000586999485 KK Annotated Anodyne CCCCOc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000586999487 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc21 ZINC000586999489 KK Annotated Clean O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000586999495 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000586999522 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c(F)c1Nc1ccccc1 ZINC000586999530 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000586999551 KK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000586999558 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(Br)cnc3NCc3ccccc3)nc-2[nH]1 ZINC000586999567 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999576 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000586999577 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999578 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000586999583 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586999586 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccnc(OC)c2[nH]1 ZINC000586999588 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000586999595 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000586999599 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000586999601 KK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000586999604 KK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)n1 ZINC000586999607 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000586999621 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000586999623 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(I)c2[nH]1 ZINC000586999624 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000586999631 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000586999635 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000586999638 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(F)c(C)c2[nH]1 ZINC000586999644 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000586999647 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cncc(Br)c2[nH]1 ZINC000586999651 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cnncc2[nH]1 ZINC000586999657 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Br)cnc5NCc5ccccc5)[nH]c4c3)o2)cc1 ZINC000586999665 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3c2)cc1 ZINC000586999666 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(F)c(F)c2[nH]1 ZINC000586999671 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000586999684 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cncc(C)c2[nH]1 ZINC000586999709 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000586999719 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(O)cc2[nH]1 ZINC000586999721 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000586999722 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Br)ccnc2[nH]1 ZINC000586999728 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000586999731 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000586999738 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000586999741 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586999748 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000586999753 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)ccc4[nH]3)cc2cc1Br ZINC000586999755 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000586999756 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000586999762 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000586999765 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3ccccc3cc2[nH]1 ZINC000586999768 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000586999788 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000586999797 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000586999799 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000586999801 KK Annotated Reactive O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000586999812 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000586999813 KK Annotated Anodyne FC(F)(F)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000586999818 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000586999819 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C)c2[nH]1 ZINC000586999832 KK Annotated Anodyne Clc1ncc(I)c2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000586999834 KK Annotated Anodyne Brc1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1OCc1ccccc1 ZINC000586999835 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000586999837 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000586999842 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000586999845 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)ncc2[nH]1 ZINC000586999846 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000586999849 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cncc(Cl)c2[nH]1 ZINC000586999868 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000586999871 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000586999887 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000586999889 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000586999891 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000586999901 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000586999904 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000586999909 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000586999918 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000586999921 KK Annotated Bother O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000586999935 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000586999948 KK Annotated Mild Brc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1OCc1ccccc1 ZINC000586999953 KK Annotated Anodyne Brc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1OCc1ccccc1 ZINC000586999954 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000586999957 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999964 KK Annotated Bother FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999971 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000586999973 KK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999976 KK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999977 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999980 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000586999981 KK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000586999982 KK Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000586999993 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000586999997 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587000001 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587000020 KK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587000026 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000587000028 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000037 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000065 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000066 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2cc1Br ZINC000587000107 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587000112 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587000119 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587000127 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587000128 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587000130 KK Annotated Anodyne CCCCOc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587000133 KK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587000135 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3cc21 ZINC000587000138 KK Annotated Clean CC(C)CCOc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587000155 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccnc(O)c2[nH]1 ZINC000587000157 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3ccc4ccccc4c3Br)nc1-2 ZINC000587000161 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)Nc5ccc(OC)cc5)ccc4[nH]3)cc2cc1Br ZINC000587000163 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587000166 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587000168 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587000171 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587000179 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)Nc5ccccc5OC)ccc4[nH]3)cc2cc1Br ZINC000587000190 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587000193 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587000205 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587000206 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C)nccc2[nH]1 ZINC000587000211 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(F)cc2[nH]1 ZINC000587000214 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(N)ncnc2[nH]1 ZINC000587000218 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587000219 KK Annotated Reactive N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587000222 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587000225 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2c1 ZINC000587000229 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587000235 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)cnc2[nH]1 ZINC000587000239 KK Annotated Anodyne CC(C)COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587000240 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587000241 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587000244 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587000245 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587000255 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587000256 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587000269 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587000270 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587000279 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587000282 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587000295 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000297 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccnc2[nH]1 ZINC000587000305 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c21 ZINC000587000309 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587000310 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587000314 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587000317 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587000319 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000324 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587000325 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587000327 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587000334 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000336 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587000337 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)cc2[nH]1 ZINC000587000345 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000349 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(N)ccnc2[nH]1 ZINC000587000350 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000352 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000354 KK Annotated Mild CCCOc1cc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2cc1Br ZINC000587000357 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000358 KK Annotated Mild C=CCc1cccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c12 ZINC000587000362 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587000364 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587000365 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000369 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587000373 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587000374 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000375 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)cnc2[nH]1 ZINC000587000377 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587000379 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)cnc2[nH]1 ZINC000587000381 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C)ccc(C)c2[nH]1 ZINC000587000382 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587000387 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587000390 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000391 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C#N)c2[nH]1 ZINC000587000394 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000395 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000397 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587000398 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587000402 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000403 KK Annotated Mild CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000404 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000408 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(/C=C/c5cccc(OC)c5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587000410 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587000411 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(/C=C\c5cccc(OC)c5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587000412 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587000419 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(I)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000421 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587000422 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(I)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000424 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587000425 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587000426 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000429 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000433 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000437 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cnc(Cl)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587000438 KK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587000440 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4cnc(Cl)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587000441 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c3cc(Br)ccc3n2)cc1 ZINC000587000444 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587000446 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c3cc(Br)ccc3n2)cc1 ZINC000587000450 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(O)ncnc2[nH]1 ZINC000587000452 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000461 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4c[nH]c5cc(Br)ccc45)[nH]c3cc21 ZINC000587000462 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000466 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000470 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2c1 ZINC000587000472 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000474 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587000475 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000476 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587000478 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000480 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587000481 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587000482 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 ZINC000587000483 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587000484 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587000485 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000487 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000491 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cc(Br)ccc3n2)cc1 ZINC000587000499 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cc(Br)ccc3n2)cc1 ZINC000587000501 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000503 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000504 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000507 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000508 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000509 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000510 KK Annotated Bother CCOC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587000511 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587000512 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc5ccccc5c4Br)[nH]c3c2)cc1 ZINC000587000521 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000522 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587000523 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000527 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000530 KK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000532 KK Annotated Bother FC(F)(F)c1cc(Br)cc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587000534 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000535 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000538 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000542 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000546 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587000552 KK Annotated Anodyne Brc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587000556 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000557 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000559 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000564 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4cc(S(=O)(=O)Nc5ccc(Cl)cc5)ccc4[nH]3)cc2cc1Br ZINC000587000565 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000568 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000572 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(/C=C\c5cccc(OC)c5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587000592 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(/C=C/c5cccc(OC)c5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587000597 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587000602 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587000608 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cc(Br)ccc3n2)c1 ZINC000587000611 KK Annotated Anodyne CCCCOc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587000617 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587000618 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cc(Br)ccc3n2)c1 ZINC000587000621 KK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000669 KK Annotated Anodyne CC(C)COc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000670 KK Annotated Anodyne Brc1c(OCc2nc3c(Br)ccc(Br)c3[nH]2)ccc2ccccc12 ZINC000587000677 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000679 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000681 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587000693 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000694 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3cc21 ZINC000587000695 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587000696 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3cc21 ZINC000587000697 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3cc21 ZINC000587000706 KK Annotated Clean O=C1COc2cc(Br)ccc2N1CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587000717 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587000721 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000730 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587000733 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c21 ZINC000587000738 KK Annotated Clean O=C(O)c1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587000739 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587000741 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3c2)cc1 ZINC000587000755 KK Annotated Anodyne O=C(O)c1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587000759 KK Annotated Bother O=C(O)c1cc2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587000791 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587000792 KK Annotated Reactive Brc1cnc(NCc2ccccc2)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587000793 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000795 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587000797 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587000804 KK Annotated Anodyne CCOc1cc2oc(=O)c(-c3nc4c5c(ccc4[nH]3)C(=O)c3ccccc3C5=O)cc2cc1Br ZINC000587000807 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C(=O)OC)ccnc2[nH]1 ZINC000587000813 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc3ncccc3c2[nH]1 ZINC000587000815 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587000818 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587000823 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587000824 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587000828 KK Annotated Anodyne CCCCCOc1cc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2cc1Br ZINC000587000831 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3nn(CC)cc3Br)[nH]c21 ZINC000587000838 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587000847 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587000850 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(CCO)cc2[nH]1 ZINC000587000859 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587000862 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(Br)c2[nH]1 ZINC000587000864 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587000865 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587000866 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C)nc2[nH]1 ZINC000587000868 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587000869 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cnnc(O)c2[nH]1 ZINC000587000870 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587000875 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(SC)cc2[nH]1 ZINC000587000879 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587000880 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c21 ZINC000587000881 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587000883 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587000885 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(OC)cc2[nH]1 ZINC000587000889 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587000890 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587000892 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C)ccnc2[nH]1 ZINC000587000893 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587000896 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587000897 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587000898 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587000900 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587000902 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587000904 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587000905 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000908 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000909 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587000912 KK Annotated Reactive CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](N)Cc5c[nH]c6cc(Br)ccc56)[nH]c4c3)cc2)CC1 ZINC000587000914 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587000915 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(OC)c2[nH]1 ZINC000587000916 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)OC)nc2[nH]1 ZINC000587000917 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587000918 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587000919 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000587000921 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587000923 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587000928 KK Annotated Anodyne CCCCCOc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587000937 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(C)c(Br)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000938 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587000939 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(C)c(Br)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000940 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(CO)cc2[nH]1 ZINC000587000946 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000948 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587000952 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587000954 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000957 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000958 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)cc(C)c2[nH]1 ZINC000587000959 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587000960 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000961 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(/C=C/c6cccc(OC)c6)nc6ccc(Br)cc56)[nH]c4c3)o2)cc1 ZINC000587000962 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)cc(F)c2[nH]1 ZINC000587000964 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587000966 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587000969 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(/C=C\c6cccc(OC)c6)nc6ccc(Br)cc56)[nH]c4c3)o2)cc1 ZINC000587000971 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587000975 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000976 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587000978 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000979 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000982 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)c(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000984 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)c(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000986 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587000987 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000993 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587000996 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001004 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001005 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001006 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001007 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001008 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001009 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001011 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001012 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001013 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001014 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001015 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001021 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587001030 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587001032 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001038 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001043 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(CO)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001044 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001045 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(CO)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001046 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001047 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001048 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001050 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001053 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001055 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001056 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001057 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001058 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587001059 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587001062 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587001065 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc4ccccc4c3Br)[nH]c21 ZINC000587001066 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587001075 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001078 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587001082 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000587001083 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001089 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001090 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001092 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001093 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001094 KK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000587001099 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001105 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001106 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001109 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001111 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001115 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001122 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001125 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001127 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(=O)OC)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001137 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(=O)OC)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001141 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Br)cnc3NCc3ccccc3)nc1-2 ZINC000587001148 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001154 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001157 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3c2)cc1 ZINC000587001166 KK Annotated Anodyne O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587001168 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587001180 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001181 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001188 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001192 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001199 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001201 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4nn(CC)cc4Br)[nH]c3cc21 ZINC000587001208 KK Annotated Clean CC(C)CCOc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000587001218 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(=O)OC)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001221 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587001222 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001223 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001228 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001229 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001233 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c3cc(Br)ccc3n2)c1 ZINC000587001242 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cc(Br)c6c(c5)OCCO6)[nH]c4c3)o2)cc1 ZINC000587001252 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c3cc(Br)ccc3n2)c1 ZINC000587001253 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001255 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cc(Br)c6c(c5)OCCO6)[nH]c4c3)o2)cc1 ZINC000587001257 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001258 KK Annotated Anodyne Brc1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587001283 KK Annotated Anodyne Brc1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587001284 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001285 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001287 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001298 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c21 ZINC000587001304 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 ZINC000587001305 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001307 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001309 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001310 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001312 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001313 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cnc4NCc4ccccc4)[nH]c3cc21 ZINC000587001317 KK Annotated Clean CCOc1ccc(/C=C\c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001319 KK Annotated Anodyne CCn1cc(Br)c(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)n1 ZINC000587001324 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001335 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c3cc(Br)ccc3n2)cc1 ZINC000587001338 KK Annotated Anodyne Brc1cnc(NCc2ccccc2)c(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587001341 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c3cc(Br)ccc3n2)cc1 ZINC000587001346 KK Annotated Anodyne Brc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587001354 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 ZINC000587001360 KK Annotated Anodyne Brc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc2c1OCCO2 ZINC000587001362 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 ZINC000587001366 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1Br ZINC000587001386 KK Annotated Mild Brc1cnc(NCc2ccccc2)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 ZINC000587001390 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587001393 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 ZINC000587001396 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5cc(Br)c(O)cc5oc4=O)nc3cc21 ZINC000587001412 KK Annotated Clean CCOc1cc2oc(=O)c(-c3nc4cc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)ccc4[nH]3)cc2cc1Br ZINC000587001442 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cnccc2[nH]1 ZINC000587001447 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587001448 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587001449 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cncnc2[nH]1 ZINC000587001452 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587001454 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587001455 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2nc(Cl)c[nH]c-2n1 ZINC000587001456 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587001457 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587001460 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587001462 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587001463 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587001465 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(I)cnc2[nH]1 ZINC000587001466 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(O)c2[nH]1 ZINC000587001467 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(N)c(N)cc2[nH]1 ZINC000587001468 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587001469 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587001470 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587001471 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cnc(Cl)[nH]c-2n1 ZINC000587001474 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587001475 KK Annotated Bother Brc1cnc(NCc2ccccc2)c(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587001477 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2c1 ZINC000587001479 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587001482 KK Annotated Anodyne Brc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587001489 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)c(F)cc2[nH]1 ZINC000587001490 KK Annotated Anodyne Brc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587001491 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587001496 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587001499 KK Annotated Bother CCn1cc(Br)c(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)n1 ZINC000587001501 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccnc(Br)c2[nH]1 ZINC000587001503 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587001505 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccccc2[nH]1 ZINC000587001511 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587001516 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ncc[nH]c-2n1 ZINC000587001518 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587001520 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587001529 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587001534 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587001535 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)ncc2[nH]1 ZINC000587001537 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cncc(OC)c2[nH]1 ZINC000587001540 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Cl)ncnc2[nH]1 ZINC000587001543 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(F)c2[nH]1 ZINC000587001549 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(I)cc2[nH]1 ZINC000587001550 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccnc(N)c2[nH]1 ZINC000587001551 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587001553 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587001556 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)Cc5c[nH]c6cc(Br)ccc56)[nH]c4c3)o2)cc1 ZINC000587001559 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587001560 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001562 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587001569 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587001570 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587001571 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587001572 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001573 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(Cl)c2[nH]1 ZINC000587001576 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587001581 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cnc2[nH]1 ZINC000587001588 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587001592 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001593 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001595 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)nc2[nH]1 ZINC000587001596 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001597 KK Annotated Anodyne O=C1C[C@H](Cc2nc3c(Br)ccc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587001602 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587001606 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587001607 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(N)ncc2[nH]1 ZINC000587001608 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001609 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C)c(C)c2[nH]1 ZINC000587001610 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001613 KK Annotated Anodyne O=C(O)c1cc2[nH]c(COc3ccc4ccccc4c3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587001617 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4cc(I)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001618 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(I)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001619 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001620 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001621 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001623 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001625 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001628 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587001629 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001630 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587001631 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001634 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587001636 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001637 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587001642 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587001643 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587001646 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001647 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001648 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cncc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001650 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cncc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001654 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587001656 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001658 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001660 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001661 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001665 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)nc2c1 ZINC000587001667 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001670 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001673 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587001675 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001684 KK Annotated Anodyne CCCCOc1cc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2cc1Br ZINC000587001687 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001689 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001690 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587001697 KK Annotated Reactive COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001698 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001702 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001703 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Br)c(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001704 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(O)nc(O)nc2[nH]1 ZINC000587001705 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587001706 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Br)c(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001709 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001711 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001713 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001716 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001719 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(CCO)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001724 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(CCO)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001732 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001733 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001735 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1OC ZINC000587001740 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1OC ZINC000587001743 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001746 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001747 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)nc2c1 ZINC000587001749 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)nc2c1 ZINC000587001751 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587001756 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587001757 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587001760 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001766 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3cc21 ZINC000587001767 KK Annotated Clean COc1cccc(/C=C/c2cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001770 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587001771 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001774 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001784 KK Annotated Anodyne O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587001787 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001788 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001789 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc6ccccc6c5Br)[nH]c4c3)o2)cc1 ZINC000587001793 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001802 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(O)nc(O)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001804 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001805 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc21 ZINC000587001808 KK Annotated Clean CCOc1ccc(/C=C/c2cc(-c3nc4c(O)nc(O)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001811 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000587001812 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000587001815 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001819 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587001821 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001823 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cc1Br ZINC000587001826 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587001836 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001839 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 ZINC000587001841 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001846 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001847 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001849 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001853 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587001855 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001856 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587001859 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001860 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001862 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001864 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001865 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587001866 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(CCO)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001867 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001868 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(CCO)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001869 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587001870 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cncc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001871 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587001874 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cncc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001876 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001877 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001878 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001879 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001880 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)nc2cc1OC ZINC000587001881 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)nc2cc1OC ZINC000587001882 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001883 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001884 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001885 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001886 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C(=O)OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001889 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C(=O)OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587001890 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@@H]5CC(=O)Oc6cccc(Br)c65)[nH]c4c3)cc2)CC1 ZINC000587001892 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@H]5CC(=O)Oc6cccc(Br)c65)[nH]c4c3)cc2)CC1 ZINC000587001893 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587001894 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587001895 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c21 ZINC000587001933 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c21 ZINC000587001934 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 ZINC000587001964 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587001983 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587001989 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587001993 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587001998 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Cl)ccnc2[nH]1 ZINC000587001999 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587002001 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(OC)nc2[nH]1 ZINC000587002002 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cnc3ccccc3c2[nH]1 ZINC000587002003 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587002004 KK Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587002020 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002029 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002031 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c21 ZINC000587002032 KK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)nc2c1 ZINC000587002033 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002034 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c21 ZINC000587002035 KK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)nc2c1 ZINC000587002038 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(O)nc(S)nc2[nH]1 ZINC000587002046 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002049 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002052 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002054 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(COc4ccc5ccccc5c4Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587002059 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587002065 KK Annotated Anodyne CCc1ccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2c1 ZINC000587002073 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587002082 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587002086 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002088 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587002089 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587002090 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C#N)cc2[nH]1 ZINC000587002091 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C)cc2[nH]1 ZINC000587002095 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587002100 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002102 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002103 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002104 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002105 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002111 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002114 KK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587002118 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002119 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587002120 KK Annotated Mild CCCOc1cc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587002125 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587002127 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587002130 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587002131 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 ZINC000587002132 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002137 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)ncc2[nH]1 ZINC000587002144 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002145 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(Cl)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002148 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587002149 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587002151 KK Annotated Anodyne Brc1c(OCc2nc3c(Br)cnc(Br)c3[nH]2)ccc2ccccc12 ZINC000587002157 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(Cl)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002158 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c12 ZINC000587002161 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c12 ZINC000587002162 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587002163 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(C)=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002164 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(C)=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002170 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002173 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2c1 ZINC000587002174 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002176 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587002184 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587002187 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587002189 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)cc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002196 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)cc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002201 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587002203 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587002207 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587002210 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002213 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002216 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002218 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002219 KK Annotated Bother CCCCCCCCOc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002220 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002222 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002224 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccnc(Cl)c2[nH]1 ZINC000587002225 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587002228 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002229 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002234 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002235 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587002240 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4ccc(OC)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002244 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(OC)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002245 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587002246 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002247 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002254 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002258 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2c1 ZINC000587002259 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C(=O)OC)ncc2[nH]1 ZINC000587002265 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587002267 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002268 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587002270 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587002272 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002273 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002279 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002280 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002281 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002287 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002290 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002293 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(C)c(C)cc2[nH]1 ZINC000587002294 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c3cc(Br)ccc3n2)c1 ZINC000587002298 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(C)nc(C)cc2[nH]1 ZINC000587002299 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002300 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002301 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c3cc(Br)ccc3n2)c1 ZINC000587002302 KK Annotated Clean COc1cccc(/C=C\c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002303 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002304 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002307 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3nn(CC)cc3Br)[nH]c2cc1Br ZINC000587002310 KK Annotated Mild CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587002314 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002318 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Cl)nc2[nH]1 ZINC000587002322 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002323 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002326 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002327 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587002328 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Br)c(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002329 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(O)nc(N)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002330 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(NC)c(Br)cc4oc(C[C@H]5O[C@@]6(CC[C@H]5C)O[C@H]([C@H](C)C(=O)c5ccc[nH]5)[C@H](C)C[C@H]6C)nc34)[nH]c2cc1Br ZINC000587002332 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4c(O)nc(N)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002333 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002334 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002336 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002348 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002349 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(O)nc(N)nc2[nH]1 ZINC000587002361 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587002363 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1Br ZINC000587002364 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002375 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587002376 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002378 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587002381 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587002388 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587002404 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(F)cc(F)c2[nH]1 ZINC000587002409 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3cc21 ZINC000587002413 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(Cl)cc2[nH]1 ZINC000587002414 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587002415 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3cc21 ZINC000587002416 KK Annotated Clean COc1cccc(/C=C\c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002424 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002426 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002430 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002431 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002443 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587002444 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccnc4[nH]cc(Br)c34)[nH]c21 ZINC000587002449 KK Annotated Clean CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc(Br)c21 ZINC000587002491 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3cc21 ZINC000587002515 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3cc21 ZINC000587002516 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C/c5cc(Br)c6c(c5)OCCO6)[nH]c4c3)cc2)CC1 ZINC000587002534 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C\c5cc(Br)c6c(c5)OCCO6)[nH]c4c3)cc2)CC1 ZINC000587002535 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002540 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587002541 KK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000587002570 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc5ccccc5c4Br)[nH]c3cc21 ZINC000587002573 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002575 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002576 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)nc12 ZINC000587002577 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 ZINC000587002578 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)nc12 ZINC000587002579 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002583 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002585 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587002588 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002589 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002590 KK Annotated Anodyne CC(C)COc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587002591 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002592 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002594 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002595 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002597 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(N)c(N)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002606 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(N)c(N)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002609 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cncc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002614 KK Annotated Anodyne Brc1ccc2c(cnn2CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587002615 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cncc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002616 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002620 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002621 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002629 KK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2o1 ZINC000587002631 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587002632 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 ZINC000587002634 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002636 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002639 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002640 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002642 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002643 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Br)c4c(c3)ncn4CCC)[nH]c2cc1Br ZINC000587002644 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002645 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCn3ncc4cc(Br)ccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587002648 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000587002652 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4cc(Br)c5c(c4)OCCO5)[nH]c3c2)cc1 ZINC000587002657 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002658 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002660 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002664 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4ccc(SC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002667 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(SC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002668 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)c(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002671 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002673 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002674 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)c(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002675 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002678 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002683 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002685 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c3cc(Br)ccc3n2)cc1 ZINC000587002688 KK Annotated Clean COc1cccc(/C=C\c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002689 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c3cc(Br)ccc3n2)cc1 ZINC000587002701 KK Annotated Clean O=C1C[C@@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002704 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587002705 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(F)c(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002706 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(F)c(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002708 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002710 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002711 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002713 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(OCCN(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002719 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002721 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002723 KK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c2o1 ZINC000587002730 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002733 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002737 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cc(Br)ccc3n2)c1 ZINC000587002742 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cc(Br)ccc3n2)c1 ZINC000587002744 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587002754 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002755 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002756 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587002757 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002759 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002764 KK Annotated Mild CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002766 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002769 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 ZINC000587002777 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002784 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cncc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002786 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Br)c5cc(C)oc45)[nH]c3cc21 ZINC000587002787 KK Annotated Clean COc1cccc(/C=C/c2cc(-c3nc4cncc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002788 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002791 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002804 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002810 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002814 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002818 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587002821 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(F)c(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002829 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(F)c(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002831 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002833 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002836 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587002837 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c3cc(Br)ccc3n2)cc1 ZINC000587002841 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c3cc(Br)ccc3n2)cc1 ZINC000587002845 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)c(C)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002846 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)c(C)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002848 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002856 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cc(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587002859 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc(Br)c21 ZINC000587002860 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cc1Br ZINC000587002866 KK Annotated Mild N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587002868 KK Annotated Anodyne C=CCc1cccc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587002871 KK Annotated Mild C=CCc1cccc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587002876 KK Annotated Mild CCCn1cnc2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587002877 KK Annotated Reactive COc1cccc(/C=C/c2cc(-c3nc4cc(C)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002878 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002881 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587002883 KK Annotated Anodyne COC(=O)c1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587002897 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002909 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Br ZINC000587002910 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002912 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002916 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002918 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)nc1-2 ZINC000587002919 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)nc1-2 ZINC000587002925 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002947 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587002951 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3cc21 ZINC000587002955 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3cc21 ZINC000587002957 KK Annotated Anodyne CC(C)COc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002983 KK Annotated Anodyne CC(C)COc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1Br ZINC000587002989 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 ZINC000587002992 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1Br ZINC000587003009 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003013 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587003017 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003018 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 ZINC000587003020 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003032 KK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003034 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2c1 ZINC000587003131 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003146 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003147 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003149 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003152 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc(Br)c21 ZINC000587003153 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(I)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003154 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(I)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003156 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003161 KK Annotated Reactive COc1cccc(/C=C/c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003162 KK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003163 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003165 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003167 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003169 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003170 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003171 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003183 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003187 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)nc2c1 ZINC000587003188 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003199 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003200 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003201 KK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)nc2c1 ZINC000587003202 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003205 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003208 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003213 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003216 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003218 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003221 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587003223 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003224 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003225 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003229 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003230 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003231 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003234 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003235 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003242 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587003244 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003246 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003247 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003248 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587003249 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003254 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003256 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003257 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c3cc(Br)ccc3n2)c1 ZINC000587003258 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003259 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc(Br)c21 ZINC000587003261 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c3cc(Br)ccc3n2)c1 ZINC000587003264 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c21 ZINC000587003265 KK Annotated Clean COc1cccc(/C=C\c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003268 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c21 ZINC000587003269 KK Annotated Clean COc1cccc(/C=C/c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003271 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003273 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003276 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003279 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(C)(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003283 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc(Br)c21 ZINC000587003291 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(SC)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003292 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(SC)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003294 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003305 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)cc(Br)c21 ZINC000587003306 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003308 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003309 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003312 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003313 KK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003319 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587003321 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003327 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003328 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003330 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003338 KK Annotated Reactive COc1cccc(/C=C/c2cc(-c3nc4ccc(I)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003343 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(I)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003346 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587003348 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587003349 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587003351 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003355 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003360 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003373 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003375 KK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2o1 ZINC000587003376 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003378 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003387 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003389 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc(Br)c21 ZINC000587003390 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003396 KK Annotated Mild CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003397 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003401 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003405 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003407 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003419 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003420 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003422 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003423 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003424 KK Annotated Mild O=C1C[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003425 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003429 KK Annotated Mild O=C1C[C@H](Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003432 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3cc21 ZINC000587003442 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003468 KK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003473 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003478 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Br)c4cc(C)oc34)[nH]c21 ZINC000587003488 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(C[C@H]5CC(=O)Oc6cccc(Br)c65)[nH]c4c3)o2)cc1 ZINC000587003525 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5CC(=O)Oc6cccc(Br)c65)[nH]c4c3)o2)cc1 ZINC000587003528 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003631 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003633 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003635 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003638 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003640 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc(Br)c21 ZINC000587003647 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCN4C(=O)COc5cc(Br)ccc54)[nH]c3cc21 ZINC000587003653 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)c(OC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003664 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)c(OC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003666 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc(Br)c21 ZINC000587003668 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003670 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587003673 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003676 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003680 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003681 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003684 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003685 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003688 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003691 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003697 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003699 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003704 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003707 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003709 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)c(F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003710 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003713 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003714 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(=O)OCC)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587003715 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003716 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003722 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003724 KK Annotated Mild CCOc1ccc(/C=C/c2cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003733 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003735 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc(Br)cc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003737 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)cc(C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003739 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003744 KK Annotated Bother O=C1C[C@@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003746 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003749 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003750 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587003751 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003753 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003760 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003764 KK Annotated Bother Cc1cc2c(Br)ccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2o1 ZINC000587003765 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003768 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCn3ncc4cc(Br)ccc43)[nH]c21 ZINC000587003773 KK Annotated Clean CCOc1ccc(/C=C\c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003787 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003790 KK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003799 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003802 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003803 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(O)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003807 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003808 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587003813 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4c(O)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003818 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587003820 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003827 KK Annotated Mild COc1cccc(/C=C/c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003834 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003840 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003842 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003848 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003851 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003855 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003859 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587003867 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003869 KK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2o1 ZINC000587003873 KK Annotated Reactive CCOc1ccc(/C=C/c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587003875 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587003877 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1Br ZINC000587003880 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003882 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003884 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587003885 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587003895 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c3cc(Br)ccc3n2)cc1 ZINC000587003897 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587003900 KK Annotated Bother CCCn1cnc2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc(Br)c21 ZINC000587003904 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c3cc(Br)ccc3n2)cc1 ZINC000587003907 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003922 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587003925 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587003926 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003947 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cc(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003951 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003955 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003957 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003963 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003966 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003968 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCN5C(=O)COc6cc(Br)ccc65)[nH]c4c3)o2)cc1 ZINC000587003975 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003979 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)c(C)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003990 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003992 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)c(C)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587003993 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587003996 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587004003 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCn5ncc6cc(Br)ccc65)[nH]c4c3)o2)cc1 ZINC000587004007 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587004009 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(Cl)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004016 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(Cl)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004021 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004023 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 ZINC000587004025 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004031 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004034 KK Annotated Bother COc1cccc(/C=C\c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004037 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004039 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004042 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004044 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004048 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004071 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004075 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004078 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004082 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004083 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004088 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004093 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004098 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004101 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004127 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004129 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587004134 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c3cc(Br)ccc3n2)c1 ZINC000587004135 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004140 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004141 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(Br)cc(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004145 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc(Br)cc(F)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004146 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 ZINC000587004212 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc(Br)c21 ZINC000587004216 KK Annotated Clean O=C1C[C@@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004225 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004227 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587004229 KK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2o1 ZINC000587004234 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)c6cc(C)oc56)[nH]c4c3)o2)cc1 ZINC000587004235 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004243 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4c(O)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004246 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(O)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004249 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004257 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004258 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004268 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004273 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004275 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004278 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587004286 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587004289 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004299 KK Annotated Bother CCOc1ccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004301 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004308 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004312 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc(Br)c21 ZINC000587004314 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587004317 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004320 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004323 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccnc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004327 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccnc(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004330 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004333 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004334 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004338 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004340 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587004346 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587004348 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587004350 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587004353 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Br)c4c(c3)ncn4CCC)[nH]c2cc1Br ZINC000587004355 KK Annotated Mild CCOc1ccc(/C=C\c2cc(-c3nc4c(F)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004356 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(F)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004358 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004365 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004368 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004370 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004371 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 ZINC000587004372 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)c(O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004373 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Br)c4c(c3)ncn4CCC)[nH]c2cc1Br ZINC000587004382 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004384 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004387 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004392 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004397 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004398 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004399 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3cc21 ZINC000587004400 KK Annotated Clean CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)c(C(=O)OC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004409 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)c(C(=O)OC)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004415 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc(Br)c21 ZINC000587004416 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)OC)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004418 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)OC)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004422 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004424 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004427 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(I)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004429 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(I)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004432 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(/C=C/c5cccc(OC)c5)nc5ccc(Br)cc45)[nH]c3cc21 ZINC000587004434 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(/C=C\c5cccc(OC)c5)nc5ccc(Br)cc45)[nH]c3cc21 ZINC000587004437 KK Annotated Clean CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004439 KK Annotated Anodyne Cc1cc2c(Br)ccc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c2o1 ZINC000587004441 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004442 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004443 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004445 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004449 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004455 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004465 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004468 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4nc(Cl)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004477 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4nc(Cl)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004479 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004485 KK Annotated Reactive COc1cccc(/C=C\c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004486 KK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cc(Br)ccc3n2)cc1 ZINC000587004487 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cc(Br)ccc3n2)cc1 ZINC000587004488 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004490 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004491 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004498 KK Annotated Bother COc1cccc(/C=C/c2cc(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004499 KK Annotated Bother CCOc1ccc(/C=C\c2cc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004500 KK Annotated Mild O=C1C[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004522 KK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004523 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004539 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004540 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1 ZINC000587004546 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4CC(=O)Oc5cccc(Br)c54)[nH]c3c2)cc1 ZINC000587004547 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(Br)c5cc(C)oc45)[nH]c3c2)cc1 ZINC000587004571 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)cc(Br)c21 ZINC000587004584 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Br)c5cc(C)oc45)[nH]c3cc21 ZINC000587004648 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587004649 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004650 KK Annotated Mild COc1cccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cc(Br)ccc3n2)c1 ZINC000587004658 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cc(Br)ccc3n2)c1 ZINC000587004659 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587004667 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587004668 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c3cc(Br)ccc3n2)cc1 ZINC000587004669 KK Annotated Clean CCOc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c3cc(Br)ccc3n2)cc1 ZINC000587004670 KK Annotated Clean CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004671 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc(Br)c21 ZINC000587004672 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004675 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004676 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004678 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OCC)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587004682 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OCC)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587004688 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004690 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004692 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004693 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004694 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004708 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587004709 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004710 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004712 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587004713 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587004714 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004715 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004716 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c3cc(Br)ccc3n2)c1 ZINC000587004723 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c3cc(Br)ccc3n2)c1 ZINC000587004724 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004728 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004730 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004732 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004734 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004735 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004738 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004740 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004742 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004744 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(C)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004747 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004748 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004750 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004753 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004755 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4cccc(I)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004760 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cccc(I)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004761 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004762 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc(Br)c21 ZINC000587004763 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C(N)=O)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004764 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(/C=C/c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587004766 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(/C=C\c4cccc(OC)c4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587004767 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004775 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Br)c(C)c(C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004776 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(OC)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004777 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cc(OC)c(F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004778 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004779 KK Annotated Clean CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004780 KK Annotated Clean CCOc1ccc(/C=C\c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004785 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004788 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004790 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc5nc(C)ccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004794 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)OC)c(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004796 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)OC)c(OC)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004799 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004801 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cccc(C(C)(C)C)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004802 KK Annotated Anodyne COc1cccc(/C=C/c2cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004805 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004807 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(OC(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004809 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004811 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(OC(C)C)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004812 KK Annotated Anodyne O=C1C[C@H](Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004813 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004815 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004818 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c3cc(Br)ccc3n2)cc1 ZINC000587004819 KK Annotated Clean CCOc1ccc(/C=C/c2cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c3cc(Br)ccc3n2)cc1 ZINC000587004822 KK Annotated Clean COc1cccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cc(Br)ccc3n2)c1 ZINC000587004824 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cc(Br)ccc3n2)c1 ZINC000587004826 KK Annotated Anodyne O=C1C[C@@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004831 KK Annotated Anodyne O=C1C[C@H](Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c2c(Br)cccc2O1 ZINC000587004832 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3cc21 ZINC000587004842 KK Annotated Anodyne COc1cccc(/C=C\c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004849 KK Annotated Reactive COc1cccc(/C=C/c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 ZINC000587004850 KK Annotated Reactive CCOc1ccc(/C=C\c2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004854 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004855 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3nc4c(C(=O)OC)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004856 KK Annotated Anodyne CCOc1ccc(/C=C\c2cc(-c3nc4c(C(=O)OC)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587004857 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 ZINC000587004862 KK Annotated Reactive CC(C)n1c(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc(Br)c1Br ZINC000587004863 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc21 ZINC000587004873 KK Annotated Clean CC(C)Oc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587004881 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Br ZINC000587004886 KK Annotated Mild CC(C)COc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587004889 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nc(Br)ccc4Cl)[nH]c3cc21 ZINC000587004893 KK Annotated Clean CC(C)n1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc(Br)c1Br ZINC000587004903 KK Annotated Reactive CC(C)n1c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc(Br)c1Br ZINC000587004907 KK Annotated Anodyne CC(C)n1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cc(Br)c1Br ZINC000587004914 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc(Br)c(Br)n4C(C)C)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587004921 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Br)c(Br)n4C(C)C)nc3cc21 ZINC000587004930 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587004938 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587004945 KK Annotated Mild CC(C)n1c(-c2nc3c(I)cccc3[nH]2)cc(Br)c1Br ZINC000587004952 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)cc(Br)c1Br ZINC000587004956 KK Annotated Anodyne CC(C)n1c(-c2nc3c(Cl)ncc(I)c3[nH]2)cc(Br)c1Br ZINC000587004962 KK Annotated Anodyne CC(C)n1c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587004985 KK Annotated Anodyne CC(C)n1c(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc(Br)c1Br ZINC000587004986 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc(Br)c(Br)n4C(C)C)nc3c2)cc1 ZINC000587004997 KK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)ncc(Br)c3[nH]2)cc(Br)c1Br ZINC000587005003 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc(Br)c1Br ZINC000587005014 KK Annotated Bother CC(C)n1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(Br)c1Br ZINC000587005018 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)cc(Br)c21 ZINC000587005039 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005043 KK Annotated Anodyne CC(C)n1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc(Br)c1Br ZINC000587005050 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)cc(Br)c21 ZINC000587005053 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc(Br)c1Br ZINC000587005056 KK Annotated Anodyne CC(C)n1c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005060 KK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005065 KK Annotated Reactive CCOC(=O)c1cc(Br)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 ZINC000587005071 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c1 ZINC000587005074 KK Annotated Anodyne CC(C)n1c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005077 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587005099 KK Annotated Bother CC(C)n1c(-c2nc3ncc(I)cc3[nH]2)cc(Br)c1Br ZINC000587005113 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(I)ccc3[nH]2)cc(Br)c1Br ZINC000587005114 KK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005116 KK Annotated Anodyne CC(C)n1c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005135 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nc(Br)ccc3Cl)[nH]c21 ZINC000587005137 KK Annotated Clean CC(C)n1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005139 KK Annotated Bother CCCCCOc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587005152 KK Annotated Anodyne CCCn1cnc2cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc(Br)c21 ZINC000587005277 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2c(F)c1Nc1ccccc1 ZINC000587005283 KK Annotated Anodyne CC(C)n1c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005288 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005298 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587005303 KK Annotated Anodyne CC(C)n1c(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc(Br)c1Br ZINC000587005308 KK Annotated Anodyne CC(C)n1c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc(Br)c1Br ZINC000587005341 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Br)c(Br)n4C(C)C)nc3cc21 ZINC000587005346 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 ZINC000587005361 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nc(Cl)cnc4Br)[nH]c3cc21 ZINC000587005365 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccnc(Br)c4Cl)[nH]c3cc21 ZINC000587005412 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 ZINC000587005429 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nc(Cl)cnc3Br)[nH]c21 ZINC000587005439 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 ZINC000587005449 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nc(Br)ccc4Cl)[nH]c3cc21 ZINC000587005452 KK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(Br)c(Br)n3C(C)C)[nH]c2c1 ZINC000587005502 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 ZINC000587005505 KK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587005542 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc(Br)c(Br)n3C(C)C)nc2cc1Br ZINC000587005547 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3nc(Br)ccc3Cl)nc12 ZINC000587005551 KK Annotated Anodyne CC(C)n1c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc(Br)c1Br ZINC000587005559 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nc(Cl)cnc3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587005790 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nc(Cl)cnc4Br)[nH]c3cc21 ZINC000587005791 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587005822 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 ZINC000587005829 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccnc(Br)c3Cl)[nH]c21 ZINC000587005844 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Br ZINC000587005885 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3nc(Cl)cnc3Br)[nH]c2cc1Br ZINC000587005900 KK Annotated Mild O=c1c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587005930 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Br)cn(Cc5ccccc5)c4=O)nc3cc21 ZINC000587005971 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Br ZINC000587005982 KK Annotated Mild O=C(O)c1cc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587005992 KK Annotated Bother O=c1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006009 KK Annotated Reactive CCCCCOc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Br ZINC000587006038 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3cc21 ZINC000587006046 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Br ZINC000587006057 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006062 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006091 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 ZINC000587006095 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006162 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Br ZINC000587006167 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Br ZINC000587006177 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc4ccc(Br)cn4c3)nc1-2 ZINC000587006182 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccn4c(Br)cnc34)nc21 ZINC000587006242 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587006263 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587006310 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587006321 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1Br ZINC000587006328 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Br)cn(Cc5ccccc5)c4=O)nc3cc21 ZINC000587006334 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Br ZINC000587006349 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnn5cccc(Br)c45)[nH]c3cc21 ZINC000587006360 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006416 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4ccc(Br)cn4c3)[nH]c21 ZINC000587006430 KK Annotated Clean O=c1c(-c2nc3c(Br)ncc(Br)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006448 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 ZINC000587006461 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3cc21 ZINC000587006483 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 ZINC000587006528 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccnc(Br)c4Cl)[nH]c3cc21 ZINC000587006541 KK Annotated Anodyne O=C(O)c1cc2nc(-c3cccn4c(Br)cnc34)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587006551 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3cc21 ZINC000587006565 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 ZINC000587006638 KK Annotated Anodyne O=c1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006685 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006702 KK Annotated Reactive COC(=O)c1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587006726 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc21 ZINC000587006729 KK Annotated Clean O=c1c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006774 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006783 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cc(Br)cn(Cc4ccccc4)c3=O)[nH]c12 ZINC000587006845 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnn5cccc(Br)c45)[nH]c3cc21 ZINC000587006860 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3c2)cc1 ZINC000587006863 KK Annotated Anodyne O=c1c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587006864 KK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1Br ZINC000587006888 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000587006899 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000587006912 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587006925 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 ZINC000587006930 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3cnn4cccc(Br)c34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587006932 KK Annotated Bother O=C(O)c1cc2nc(-c3ccc(Br)o3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587006933 KK Annotated Bother CC(C)COc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Br ZINC000587006956 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c(F)c1Nc1ccccc1 ZINC000587006999 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cc1Br ZINC000587007012 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1 ZINC000587007015 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 ZINC000587007060 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 ZINC000587007143 KK Annotated Reactive O=C(Nc1ccc(Cc2nc3cccc(I)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007170 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Br)o4)nc3cc21 ZINC000587007183 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007207 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007230 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3cc21 ZINC000587007306 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c21 ZINC000587007337 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc1-2 ZINC000587007346 KK Annotated Anodyne CCCOc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1Br ZINC000587007363 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007364 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5ccc(NC(=O)c6ccc(Br)o6)cc5)[nH]c4c3)o2)cc1 ZINC000587007366 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Cl)CCl)[nH]c3cc21 ZINC000587007368 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cl)CCl)[nH]c3cc21 ZINC000587007375 KK Annotated Reactive O=C(Nc1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007423 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3c2)cc1 ZINC000587007426 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnn4cccc(Br)c34)[nH]c21 ZINC000587007438 KK Annotated Clean O=c1c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007471 KK Annotated Anodyne O=c1c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007482 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 ZINC000587007497 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)Cl)[nH]c3cc21 ZINC000587007513 KK Annotated Clean O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007649 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007670 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1)c1ccc(Br)o1 ZINC000587007688 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587007691 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587007712 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1)c1ccc(Br)o1 ZINC000587007730 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnn5cc(Br)cnc45)[nH]c3cc21 ZINC000587007740 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn5c(Br)cnc45)nc3cc21 ZINC000587007749 KK Annotated Clean CC(C)Oc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1Br ZINC000587007763 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cl)CCl)[nH]c21 ZINC000587007766 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Cl)CCl)[nH]c21 ZINC000587007770 KK Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 ZINC000587007798 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Br ZINC000587007800 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c21 ZINC000587007826 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnn4cc(Br)cnc34)[nH]c21 ZINC000587007871 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn5c(Br)cnc45)nc3cc21 ZINC000587007885 KK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1Br ZINC000587007899 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2cc1Br ZINC000587007933 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cnn4cc(Br)cnc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587008056 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Br)[nH]c3cc21 ZINC000587008093 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Br)[nH]c21 ZINC000587008148 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Br)[nH]c3cc21 ZINC000587008187 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnn5cc(Br)cnc45)[nH]c3cc21 ZINC000587008203 KK Annotated Clean Nc1ccc(Oc2ccc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3c2)cc1 ZINC000587008218 KK Annotated Clean O=C(Nc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008225 KK Annotated Reactive O=C(Nc1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008278 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008315 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008328 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(NC(=O)c5ccc(Br)o5)cc4)[nH]c3cc21 ZINC000587008335 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008340 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)Cl)[nH]c21 ZINC000587008344 KK Annotated Clean O=C(Nc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008349 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 ZINC000587008369 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008389 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5[nH]nc(Br)c5c4)[nH]c3cc21 ZINC000587008490 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Br ZINC000587008627 KK Annotated Mild O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008774 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008776 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008811 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 ZINC000587008812 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Br)o4)nc3cc21 ZINC000587008816 KK Annotated Clean Cc1c(Br)cc2nc(Cc3ccc(NC(=O)c4ccc(Br)o4)cc3)[nH]c2c1C ZINC000587008832 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008834 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(I)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000587008839 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Br)o3)nc21 ZINC000587008886 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)Cl)[nH]c3cc21 ZINC000587008961 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Cl)CCl)[nH]c3cc21 ZINC000587009124 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cl)CCl)[nH]c3cc21 ZINC000587009125 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)NC(=O)CCl)[nH]c3cc21 ZINC000587009498 KK Annotated Reactive O=C(O)[C@H]1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009579 KK Annotated Bother O=C(O)[C@H]1[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009581 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009582 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009584 KK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587009594 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587009597 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587009600 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587009601 KK Annotated Clean CC(C)COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009607 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009610 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009612 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009614 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009617 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009623 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009624 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009626 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009636 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009639 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009640 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009641 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009661 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009662 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009664 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009665 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009673 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009676 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009677 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587009678 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009683 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009684 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009685 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009686 KK Annotated Anodyne Cc1cc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1[N+](=O)[O-] ZINC000587009704 KK Annotated Bother Cc1cc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1[N+](=O)[O-] ZINC000587009705 KK Annotated Bother Cc1cc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1[N+](=O)[O-] ZINC000587009706 KK Annotated Bother Cc1cc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1[N+](=O)[O-] ZINC000587009707 KK Annotated Bother Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009708 KK Annotated Anodyne Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009709 KK Annotated Anodyne Cc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009710 KK Annotated Anodyne Cc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587009711 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Br)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009713 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Br)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009714 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009715 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Br)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009716 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009721 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009722 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009723 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009724 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009725 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c3cc21 ZINC000587009727 KK Annotated Reactive N#Cc1cc(Cl)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009730 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009731 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587009733 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)NC(=O)CCl)[nH]c21 ZINC000587009806 KK Annotated Reactive O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009834 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009841 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009843 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009845 KK Annotated Anodyne O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587009849 KK Annotated Reactive Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587009887 KK Annotated Anodyne Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587009888 KK Annotated Anodyne Cc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587009890 KK Annotated Anodyne Cc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587009892 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cnc4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009894 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cnc4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009895 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cnc4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009896 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cnc4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009897 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009900 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009904 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009906 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009907 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009924 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009925 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009926 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009927 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009933 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009937 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009938 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009939 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009940 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009942 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009943 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009945 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009957 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009958 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009959 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009962 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Br)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009988 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009990 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009991 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587009992 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009993 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009996 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009997 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587009999 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010013 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010032 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010033 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010034 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010041 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010042 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010043 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010044 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010051 KK Annotated Reactive O=C(O)[C@H]1[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010052 KK Annotated Reactive O=C(O)[C@@H]1[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010053 KK Annotated Reactive O=C(O)[C@@H]1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010054 KK Annotated Reactive O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010060 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010061 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010062 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010063 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010068 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010069 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010070 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010071 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010072 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010073 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010074 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010075 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010076 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010077 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010078 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010079 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010086 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010087 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010088 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010089 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010096 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010100 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010101 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010102 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010111 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010113 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010114 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010115 KK Annotated Anodyne O=C1CCc2cc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc2N1 ZINC000587010129 KK Annotated Anodyne O=C1CCc2cc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc2N1 ZINC000587010133 KK Annotated Anodyne O=C1CCc2cc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc2N1 ZINC000587010134 KK Annotated Anodyne O=C1CCc2cc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc2N1 ZINC000587010135 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010138 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010140 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010141 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010143 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010236 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010237 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010238 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010239 KK Annotated Mild COc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587010240 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587010241 KK Annotated Anodyne COc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587010242 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Cl ZINC000587010243 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010264 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010265 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010266 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010267 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010270 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010271 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010272 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587010273 KK Annotated Anodyne O=C(O)c1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587010282 KK Annotated Anodyne O=C(O)c1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587010283 KK Annotated Anodyne O=C(O)c1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587010284 KK Annotated Anodyne O=C(O)c1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587010285 KK Annotated Anodyne N#Cc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C(F)(F)F ZINC000587010287 KK Annotated Mild N#Cc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C(F)(F)F ZINC000587010288 KK Annotated Mild N#Cc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C(F)(F)F ZINC000587010289 KK Annotated Mild N#Cc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C(F)(F)F ZINC000587010290 KK Annotated Mild O=C(O)[C@@H]1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010296 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010297 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010298 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010299 KK Annotated Anodyne COc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010300 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010301 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010302 KK Annotated Anodyne COc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1C ZINC000587010303 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010310 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010311 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010312 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010313 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010314 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010315 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010316 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010317 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587010334 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587010335 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587010336 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c21 ZINC000587010337 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010354 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010355 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010356 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010357 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010369 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010370 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010371 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010372 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010373 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010374 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010375 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010376 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4ccccc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010377 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010378 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010379 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4ccccc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010380 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587010381 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587010382 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587010383 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587010384 KK Annotated Clean Cc1cc(Cl)cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010386 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010387 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010388 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010389 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010395 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010396 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010397 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010398 KK Annotated Bother Cc1c(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587010399 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587010400 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587010401 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1C ZINC000587010402 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cncc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010409 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cncc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010410 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cncc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010411 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cncc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010412 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)CCl)[nH]c21 ZINC000587010416 KK Annotated Reactive N#Cc1nc(Cl)cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010417 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010418 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010419 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010420 KK Annotated Mild O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010422 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010423 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010424 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010425 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010434 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010435 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3cc21 ZINC000587010438 KK Annotated Clean O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010445 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010454 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010455 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)CCl)[nH]c3cc21 ZINC000587010456 KK Annotated Reactive O=C(c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587010463 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587010467 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587010471 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010486 KK Annotated Bother O=C(O)[C@H]1[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010488 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010489 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010490 KK Annotated Bother Nc1ccc(-c2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1N ZINC000587010491 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1N ZINC000587010493 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1N ZINC000587010494 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1N ZINC000587010495 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010496 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010499 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010501 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010502 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010509 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010510 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010512 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010514 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587010527 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587010529 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587010531 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587010532 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010538 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010542 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010544 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010545 KK Annotated Anodyne Cc1nc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1Br ZINC000587010548 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010549 KK Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1Br ZINC000587010550 KK Annotated Anodyne Cc1nc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1Br ZINC000587010551 KK Annotated Anodyne Cc1nc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1Br ZINC000587010552 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010553 KK Annotated Mild O=C(O)[C@@H]1[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010554 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010555 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010556 KK Annotated Mild O=C(O)[C@H]1[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010557 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010558 KK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010560 KK Annotated Mild O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010562 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010564 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010565 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010566 KK Annotated Anodyne COc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1OC ZINC000587010570 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1OC ZINC000587010572 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1OC ZINC000587010574 KK Annotated Anodyne COc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1OC ZINC000587010575 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010585 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010587 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010588 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010589 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010591 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010592 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010593 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010595 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010597 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010599 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010600 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010601 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c21 ZINC000587010602 KK Annotated Clean O=C(O)[C@H]1[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010603 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010604 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3cc21 ZINC000587010605 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010606 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010607 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010610 KK Annotated Reactive O=C(O)[C@@H]1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010636 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010637 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010638 KK Annotated Bother O=C(O)[C@H]1[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010639 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010648 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010649 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010650 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010651 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010658 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010659 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010660 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010661 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010664 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010665 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010666 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2n1 ZINC000587010667 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010669 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010670 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010671 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010672 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010673 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010674 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010675 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010676 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010681 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010682 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010683 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010684 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587010692 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587010694 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587010695 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587010696 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010708 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010709 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010710 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1Br ZINC000587010711 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010712 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010713 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010714 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010715 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010716 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010725 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010726 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010727 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587010728 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010731 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010732 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010733 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010734 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010735 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010736 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010737 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010738 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010740 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010741 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010742 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010743 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010744 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010745 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587010769 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c21 ZINC000587010792 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010807 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(Br)nc4C)[nH]c3cc21 ZINC000587010836 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010846 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587010854 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(Br)nc3C)[nH]c21 ZINC000587010859 KK Annotated Clean Clc1ncc(I)c2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010862 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587010867 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587010878 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010880 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010881 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010883 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010884 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010885 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587010887 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1Br ZINC000587010903 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587010919 KK Annotated Bother Brc1cnc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587010929 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587010934 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010940 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010941 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010943 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010944 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010945 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010947 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010950 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587010952 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010953 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010956 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010958 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010959 KK Annotated Bother O=C(O)[C@H]1[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010972 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010973 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010974 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010976 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010977 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010978 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010980 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010981 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010983 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010984 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010986 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010987 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010995 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010996 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010998 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587010999 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c32)n1 ZINC000587011000 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c32)n1 ZINC000587011001 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c32)n1 ZINC000587011002 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c32)n1 ZINC000587011003 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011004 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011005 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011006 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011007 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011010 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011011 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011012 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011013 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(I)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011014 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(I)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011015 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(I)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011016 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(I)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011017 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011031 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011032 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011033 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011034 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011035 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(C5CC5)nc4C)[nH]c3cc21 ZINC000587011073 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4sc(-c5ccccc5)nc4C)[nH]c3cc21 ZINC000587011076 KK Annotated Clean CCCCCOc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1Br ZINC000587011129 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587011132 KK Annotated Anodyne Brc1cc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2cc1OCc1ccccc1 ZINC000587011135 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587011163 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011223 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011225 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011230 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011232 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011235 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4sc(-c5ccc(Cl)cc5)nc4-c4ccccc4)[nH]c3cc21 ZINC000587011237 KK Annotated Clean O=C(O)c1cc(Br)cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011238 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011243 KK Annotated Anodyne CCCCOc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587011249 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011268 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011271 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011273 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011276 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011316 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011318 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011321 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011324 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011331 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011334 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011335 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3c2)cc1 ZINC000587011338 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011341 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011346 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011349 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011350 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011376 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011377 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011379 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011380 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587011398 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587011400 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587011404 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587011405 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587011406 KK Annotated Bother O=C(O)[C@H]1[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011407 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011408 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011409 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011410 KK Annotated Anodyne CCCOc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1Br ZINC000587011483 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011492 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011493 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4sc(C)nc4C)[nH]c3cc21 ZINC000587011494 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011495 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011496 KK Annotated Anodyne CC(C)COc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587011507 KK Annotated Anodyne CSc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011513 KK Annotated Anodyne CSc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011515 KK Annotated Anodyne CSc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011519 KK Annotated Anodyne CSc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587011523 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 ZINC000587011542 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cs2)cc1 ZINC000587011551 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011558 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011559 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011560 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011563 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011582 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011584 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011587 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4[C@H](C(=O)O)[C@]5(Cl)C(Cl)=C(Cl)[C@@]4(Cl)C5(Cl)Cl)[nH]c3cc21 ZINC000587011589 KK Annotated Clean O=C(O)[C@@H]1[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011591 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011599 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011600 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011601 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011605 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011608 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011611 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587011612 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011622 KK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587011625 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011627 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011630 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011632 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011633 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011636 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011637 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011638 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011641 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587011652 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011654 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011657 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011658 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011659 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011662 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011663 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011665 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587011673 KK Annotated Mild Cc1nc(Br)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587011674 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc1-2 ZINC000587011679 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc1-2 ZINC000587011690 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587011692 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc1-2 ZINC000587011693 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc1-2 ZINC000587011699 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011700 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011702 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011703 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011706 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587011720 KK Annotated Bother COC(=O)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587011739 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011741 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011742 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011744 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cccc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011746 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011748 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 ZINC000587011766 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587011781 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4sc(-c5ccccc5)nc4C)[nH]c3cc21 ZINC000587011800 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587011842 KK Annotated Reactive Cc1cnc(Cl)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011845 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011846 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011847 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011851 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011853 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011854 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587011856 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)c(F)cc4[nH]3)cs2)cc1 ZINC000587011859 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(I)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011869 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(I)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011873 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(I)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011874 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(I)cnc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011875 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011885 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011889 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011890 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011892 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587011922 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(F)c(Br)c4[nH]3)cs2)cc1 ZINC000587011927 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1)N1CCOCC1 ZINC000587011929 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc(Br)nc4C)[nH]c3cc21 ZINC000587011942 KK Annotated Anodyne CCCOc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587011947 KK Annotated Anodyne CCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587011949 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cs2)cc1 ZINC000587011950 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587011952 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587011953 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011970 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011971 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011974 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc12 ZINC000587011976 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011988 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011993 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011994 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587011995 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012020 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012021 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012022 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012023 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012025 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012026 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012028 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012029 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3nc(Br)sc3C3CC3)nc12 ZINC000587012114 KK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(C)s2)cc1 ZINC000587012117 KK Annotated Bother O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012155 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 ZINC000587012166 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cs2)cc1 ZINC000587012169 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4sc(C)nc4C)[nH]c3cc21 ZINC000587012182 KK Annotated Clean O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012187 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012195 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012197 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012200 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587012223 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1Br ZINC000587012239 KK Annotated Mild O=C(O)[C@@H]1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012243 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012246 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012248 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587012252 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012253 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012257 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012261 KK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc1-2 ZINC000587012262 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012264 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012266 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012270 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3sc(-c4ccccc4)nc3C)[nH]c21 ZINC000587012276 KK Annotated Clean O=C(O)[C@@H]1[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012278 KK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cs2)cc1 ZINC000587012281 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012283 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1Br ZINC000587012284 KK Annotated Mild O=C(O)[C@H]1[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012286 KK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 ZINC000587012287 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C#N)cc(Br)c4[nH]3)cs2)cc1 ZINC000587012288 KK Annotated Mild O=C(O)[C@@H]1[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012290 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012291 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012293 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012295 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(I)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012298 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(I)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012301 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(I)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012304 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(I)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012307 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c12 ZINC000587012315 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nc(Br)sc3C3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587012317 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3sc(Br)nc3C)[nH]c2cc1Br ZINC000587012318 KK Annotated Mild COc1cc(OC)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012321 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012324 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012327 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012330 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)cc1 ZINC000587012331 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4oc5ccccc5c4CSc4cccs4)[nH]c3c2)cc1 ZINC000587012332 KK Annotated Anodyne Brc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587012365 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2c1 ZINC000587012395 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012399 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012402 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cs2)cc1 ZINC000587012406 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 ZINC000587012409 KK Annotated Reactive CCCCCOc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012411 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012412 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012416 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012421 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012423 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012425 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012429 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012430 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1C ZINC000587012437 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nc(-c5ccc(C)cc5)sc4C)[nH]c3cc21 ZINC000587012440 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012442 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012443 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)nc2c1 ZINC000587012445 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012449 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012454 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587012455 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012458 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2c1 ZINC000587012461 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012463 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012465 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012468 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012471 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012472 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012474 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012476 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012478 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@H](C(=O)O)[C@]6(Cl)C(Cl)=C(Cl)[C@@]5(Cl)C6(Cl)Cl)[nH]c4c3)o2)cc1 ZINC000587012501 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5[C@@H](C(=O)O)[C@]6(Cl)C(Cl)=C(Cl)[C@@]5(Cl)C6(Cl)Cl)[nH]c4c3)o2)cc1 ZINC000587012512 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nc(Br)sc4C4CC4)[nH]c3cc21 ZINC000587012513 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@H]5[C@H](C(=O)O)[C@]6(Cl)C(Cl)=C(Cl)[C@@]5(Cl)C6(Cl)Cl)[nH]c4c3)o2)cc1 ZINC000587012515 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@@H](C(=O)O)[C@]6(Cl)C(Cl)=C(Cl)[C@@]5(Cl)C6(Cl)Cl)[nH]c4c3)o2)cc1 ZINC000587012517 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc12 ZINC000587012521 KK Annotated Anodyne COc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587012523 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587012527 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587012545 KK Annotated Anodyne CCCCCOc1cc2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2cc1Br ZINC000587012572 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5oc6ccccc6c5CSc5cccs5)[nH]c4c3)o2)cc1 ZINC000587012615 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc(C5CC5)nc4C)[nH]c3cc21 ZINC000587012666 KK Annotated Anodyne COc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587012698 KK Annotated Anodyne COc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1F ZINC000587012699 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012723 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012725 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012727 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c2cc1Br ZINC000587012729 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3sc(C)nc3C)[nH]c21 ZINC000587012732 KK Annotated Clean O=C(O)[C@H]1[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012740 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012741 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012742 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012744 KK Annotated Bother C=CCc1cccc2nc([C@@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012748 KK Annotated Mild C=CCc1cccc2nc([C@@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012751 KK Annotated Mild C=CCc1cccc2nc([C@H]3[C@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012753 KK Annotated Mild C=CCc1cccc2nc([C@H]3[C@@H](C(=O)O)[C@]4(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C4(Cl)Cl)[nH]c12 ZINC000587012756 KK Annotated Mild O=C(O)[C@H]1[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012757 KK Annotated Reactive O=C(O)[C@@H]1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012759 KK Annotated Reactive O=C(O)[C@H]1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012760 KK Annotated Reactive O=C(O)[C@@H]1[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012761 KK Annotated Reactive O=C(O)[C@H]1[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012784 KK Annotated Bother O=C(O)[C@@H]1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012785 KK Annotated Bother O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012786 KK Annotated Bother O=C(O)[C@@H]1[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012787 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587012813 KK Annotated Anodyne O=C(O)[C@H]1[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012819 KK Annotated Anodyne O=C(O)[C@H]1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012829 KK Annotated Anodyne O=C(O)[C@@H]1[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012830 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl ZINC000587012832 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nc(Br)sc4C4CC4)[nH]c3cc21 ZINC000587012837 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cs2)cc1 ZINC000587012840 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 ZINC000587012843 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cc(F)c4[nH]3)cs2)cc1 ZINC000587012845 KK Annotated Anodyne COC(=O)c1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587012857 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587012860 KK Annotated Anodyne CCCOc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587012862 KK Annotated Anodyne CCCCOc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587012869 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Br)c(O)c4[nH]3)cs2)cc1 ZINC000587012870 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cs2)cc1 ZINC000587012879 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cs2)cc1 ZINC000587012898 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cs2)cc1 ZINC000587012906 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc1-2 ZINC000587013003 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c12 ZINC000587013017 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nc(-c5ccc(C)cc5)sc4C)[nH]c3cc21 ZINC000587013038 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 ZINC000587013047 KK Annotated Anodyne CCCCOc1cc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2cc1Br ZINC000587013082 KK Annotated Anodyne CCCc1sc(N)nc1-c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587013144 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(Cc4sc(-c5ccc(Cl)cc5)nc4-c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587013164 KK Annotated Anodyne Cc1nc(C2CC2)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587013199 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(C4CC4)nc3C)[nH]c21 ZINC000587013209 KK Annotated Clean CCCc1sc(N)nc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587013214 KK Annotated Clean Brc1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C2CC2)s1 ZINC000587013247 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587013250 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587013257 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587013258 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cs2)cc1 ZINC000587013259 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cs2)cc1 ZINC000587013265 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nc(Br)sc3C3CC3)[nH]c21 ZINC000587013292 KK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587013305 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cs2)cc1 ZINC000587013310 KK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cs2)cc1 ZINC000587013311 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cs2)cc1 ZINC000587013317 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1Br ZINC000587013376 KK Annotated Mild Clc1ccc(-c2nc(-c3ccccc3)c(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)s2)cc1 ZINC000587013378 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587013406 KK Annotated Anodyne Cc1nc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2cc1Br ZINC000587013415 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cs2)cc1 ZINC000587013421 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc2c1 ZINC000587013438 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cs2)cc1 ZINC000587013444 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)cs2)cc1 ZINC000587013461 KK Annotated Anodyne CCCc1sc(N)nc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587013463 KK Annotated Anodyne CC(C)COc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587013475 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cs2)cc1 ZINC000587013489 KK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2cc1Br ZINC000587013494 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5nc(Br)sc5C5CC5)[nH]c4c3)cc2)CC1 ZINC000587013504 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)cc1 ZINC000587013510 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)nc12 ZINC000587013520 KK Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1)N1CCOCC1 ZINC000587013571 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c21 ZINC000587013616 KK Annotated Clean Cc1ccc(-c2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(C)s2)cc1 ZINC000587013633 KK Annotated Anodyne CCCc1sc(N)nc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587013662 KK Annotated Bother CN1CCN(c2ccc3nc(Cc4sc(-c5ccc(Cl)cc5)nc4-c4ccccc4)[nH]c3c2)CC1 ZINC000587013678 KK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)s1 ZINC000587013698 KK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)s1 ZINC000587013704 KK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587013728 KK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(C)s2)cc1 ZINC000587013739 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(Cc5ccc(NC(=O)OC(C)(C)C)cc5)n4)[nH]c3cc21 ZINC000587013753 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)cs2)cc1 ZINC000587013768 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587013858 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cs1 ZINC000587013862 KK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cs2)c1Cl ZINC000587013897 KK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cs2)c1Cl ZINC000587013904 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(I)c4[nH]3)cs2)cc1 ZINC000587013905 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)cc1 ZINC000587013922 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(I)cnc4[nH]3)cs2)cc1 ZINC000587013923 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(I)cc4[nH]3)cs2)cc1 ZINC000587013924 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587013979 KK Annotated Mild CCO[C@H](C)c1nc(C)c(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)s1 ZINC000587014003 KK Annotated Clean CCO[C@@H](C)c1nc(C)c(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)s1 ZINC000587014009 KK Annotated Clean CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1 ZINC000587014020 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cs2)cc1 ZINC000587014031 KK Annotated Bother CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cs1 ZINC000587014050 KK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587014056 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)cs2)cc1 ZINC000587014059 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(F)cnc(Br)c4[nH]3)cs2)cc1 ZINC000587014061 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c21 ZINC000587014062 KK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)cs2)cc1 ZINC000587014067 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014071 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(CNC(=O)OC(C)(C)C)n4)[nH]c3cc21 ZINC000587014086 KK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cs2)cc1 ZINC000587014108 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cs2)cc1 ZINC000587014122 KK Annotated Bother CCO[C@@H](C)c1nc(C)c(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)s1 ZINC000587014144 KK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)s1 ZINC000587014145 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cs2)cc1 ZINC000587014194 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc(-c5ccc(Cl)cc5)nc4C)[nH]c3cc21 ZINC000587014199 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cs2)cc1 ZINC000587014214 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(Cc5ccc(NC(=O)OC(C)(C)C)cc5)n4)[nH]c3cc21 ZINC000587014234 KK Annotated Clean CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587014237 KK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)s1 ZINC000587014238 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587014241 KK Annotated Reactive Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587014253 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cs1 ZINC000587014275 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cs2)cc1 ZINC000587014291 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(Cc6ccc(NC(=O)OC(C)(C)C)cc6)n5)[nH]c4c3)o2)cc1 ZINC000587014294 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014329 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cs1 ZINC000587014484 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587014488 KK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(Br)c(F)c4[nH]3)cs2)cc1 ZINC000587014513 KK Annotated Anodyne Clc1cccc(-c2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cs2)c1Cl ZINC000587014522 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc(Cc5ccc(NC(=O)OC(C)(C)C)cc5)n4)[nH]c3c2)cc1 ZINC000587014539 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cs2)cc1 ZINC000587014546 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(-c5ccc(Cl)cc5)nc4C)[nH]c3cc21 ZINC000587014562 KK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cs2)cc1 ZINC000587014563 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cs2)cc1 ZINC000587014591 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cs1 ZINC000587014594 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(CNC(=O)OC(C)(C)C)n5)[nH]c4c3)o2)cc1 ZINC000587014600 KK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587014602 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(CNC(=O)OC(C)(C)C)n4)[nH]c3cc21 ZINC000587014613 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cs2)cc1 ZINC000587014619 KK Annotated Clean Clc1cccc(-c2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cs2)c1Cl ZINC000587014624 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4csc(Cc5ccc(NC(=O)OC(C)(C)C)cc5)n4)[nH]c3c2)NNC(=O)C1 ZINC000587014641 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014648 KK Annotated Mild FC(F)(F)Oc1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2cc1Br ZINC000587014658 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5csc(Cc6ccc(NC(=O)OC(C)(C)C)cc6)n5)[nH]c4c3)cc2)CC1 ZINC000587014670 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 ZINC000587014710 KK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587014715 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)[nH]c2c1 ZINC000587014720 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c21 ZINC000587014722 KK Annotated Clean CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cs2)cc1 ZINC000587014741 KK Annotated Bother CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587014771 KK Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc(Cc5ccc(NC(=O)OC(C)(C)C)cc5)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587014815 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c21 ZINC000587014824 KK Annotated Clean CCO[C@@H](C)c1nc(C)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587014868 KK Annotated Bother CCO[C@H](C)c1nc(C)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587014869 KK Annotated Bother Clc1cc(Cl)cc(-c2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cs2)c1 ZINC000587014945 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587014962 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c21 ZINC000587015023 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc1-2 ZINC000587015050 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015058 KK Annotated Anodyne Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587015076 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587015082 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c3cc21 ZINC000587015096 KK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cs2)c1 ZINC000587015097 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587015099 KK Annotated Bother CCCCCOc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015111 KK Annotated Anodyne CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)s1 ZINC000587015165 KK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)s1 ZINC000587015166 KK Annotated Anodyne CCO[C@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)s1 ZINC000587015187 KK Annotated Clean CCO[C@@H](C)c1nc(C)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)s1 ZINC000587015188 KK Annotated Clean Clc1cc(Cl)cc(-c2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cs2)c1 ZINC000587015220 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)nc1-2 ZINC000587015221 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 ZINC000587015238 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(-c6cc(Cl)cc(Cl)c6)n5)[nH]c4c3)o2)cc1 ZINC000587015267 KK Annotated Anodyne COC(=O)c1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587015276 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 ZINC000587015282 KK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cs2)cc1 ZINC000587015327 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(-c6cccc(Cl)c6Cl)n5)[nH]c4c3)o2)cc1 ZINC000587015343 KK Annotated Anodyne Clc1cc(Cl)cc(-c2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cs2)c1 ZINC000587015353 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 ZINC000587015363 KK Annotated Reactive Clc1cccc(-c2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cs2)c1Cl ZINC000587015375 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015388 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587015404 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5cccc(Cl)c5Cl)n4)[nH]c3cc21 ZINC000587015416 KK Annotated Clean CCc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cs2)cc1 ZINC000587015453 KK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cs2)cc1 ZINC000587015489 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c3cc21 ZINC000587015559 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c21 ZINC000587015570 KK Annotated Clean Clc1cc(Cl)cc(-c2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cs2)c1 ZINC000587015572 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c2cc1Br ZINC000587015612 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5cc(Cl)cc(Cl)c5)n4)[nH]c3cc21 ZINC000587015631 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1Br ZINC000587015654 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(-c4ccc(Cl)cc4)n3)nc1-2 ZINC000587015744 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3cc21 ZINC000587015747 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(-c4ccc(C)o4)n3)[nH]c21 ZINC000587015809 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587015887 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3csc(-c4ccc(CC)cc4)n3)[nH]c2cc1Br ZINC000587015897 KK Annotated Mild COC(=O)c1cc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587015903 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 ZINC000587015949 KK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cs2)cc1 ZINC000587016016 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c21 ZINC000587016052 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ccc(C)o5)n4)[nH]c3cc21 ZINC000587016073 KK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cs2)o1 ZINC000587016085 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3cc21 ZINC000587016102 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ccc(C)o5)n4)[nH]c3cc21 ZINC000587016111 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc21 ZINC000587016139 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc21 ZINC000587016140 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3cc21 ZINC000587016297 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3cc21 ZINC000587016301 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587016305 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587016307 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3cc21 ZINC000587016365 KK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)cs2)o1 ZINC000587016385 KK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 ZINC000587016458 KK Annotated Reactive Brc1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1OCc1ccccc1 ZINC000587016540 KK Annotated Anodyne CCc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cs2)cc1 ZINC000587016542 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1Br ZINC000587016549 KK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587016631 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587016646 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc21 ZINC000587016653 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(Nc4cccc5ncccc45)n3)nc1-2 ZINC000587016670 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587016695 KK Annotated Reactive CCCCCOc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587016701 KK Annotated Anodyne FC(F)(F)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587016704 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cs2)s1 ZINC000587016727 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(-c4ncccc4Cl)n3)[nH]c21 ZINC000587016842 KK Annotated Clean CCCOc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587016849 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587016869 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587016871 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587016875 KK Annotated Bother FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587016889 KK Annotated Anodyne Cc1ccc(-c2nc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cs2)o1 ZINC000587016979 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cccc(I)c4[nH]3)cs2)s1 ZINC000587016981 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)cc1 ZINC000587017008 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 ZINC000587017031 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587017035 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(-c4ncccc4Cl)n3)nc1-2 ZINC000587017043 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 ZINC000587017059 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc([C@H]4CCCO4)n3)[nH]c21 ZINC000587017061 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc([C@@H]4CCCO4)n3)[nH]c21 ZINC000587017064 KK Annotated Clean FC(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017076 KK Annotated Anodyne Clc1ncc(I)c2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587017081 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3cc21 ZINC000587017121 KK Annotated Clean Brc1cnc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc12 ZINC000587017141 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1 ZINC000587017144 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4c(Br)ccc(Br)c4[nH]3)cs2)s1 ZINC000587017156 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587017197 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587017202 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587017221 KK Annotated Bother Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cs2)o1 ZINC000587017269 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(-c5ccco5)n4)[nH]c3cc21 ZINC000587017289 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(-c4ccco4)n3)[nH]c21 ZINC000587017297 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017413 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017432 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3cc21 ZINC000587017438 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1Br ZINC000587017444 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc(Nc5cccc6ncccc56)n4)[nH]c3c2)cc1 ZINC000587017473 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587017501 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3cc21 ZINC000587017507 KK Annotated Clean COC(=O)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587017535 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017539 KK Annotated Reactive Clc1ncc(I)c2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587017561 KK Annotated Anodyne CCCCCOc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587017585 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587017610 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 ZINC000587017616 KK Annotated Reactive COC(=O)c1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587017622 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 ZINC000587017643 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(Nc6cccc7ncccc67)n5)[nH]c4c3)o2)cc1 ZINC000587017674 KK Annotated Anodyne Brc1cc2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2cc1OCc1ccccc1 ZINC000587017688 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017712 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587017753 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc(O)n4)[nH]c3cc21 ZINC000587017777 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587017839 KK Annotated Anodyne O=S(=O)(c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1)C(F)(F)F ZINC000587017857 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017860 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(I)cc4[nH]3)cs2)s1 ZINC000587017869 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017885 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587017901 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587017904 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5csc(-c6ccc7c(c6)OCCO7)n5)[nH]c4c3)cc2)CC1 ZINC000587017908 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc1-2 ZINC000587017913 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 ZINC000587017919 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cc(I)cnc4[nH]3)cs2)s1 ZINC000587017920 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587017934 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c21 ZINC000587017938 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c21 ZINC000587017945 KK Annotated Clean FC(F)(F)Oc1cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2cc1Br ZINC000587017947 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3cc21 ZINC000587017951 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4c(Br)cnc(Br)c4[nH]3)cs2)s1 ZINC000587017985 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587018002 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018021 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018025 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018050 KK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587018052 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 ZINC000587018074 KK Annotated Reactive O=[N+]([O-])c1c(Br)ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 ZINC000587018153 KK Annotated Bother COC(=O)c1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587018219 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc(-c6ccc(Br)s6)n5)[nH]c4c3)o2)cc1 ZINC000587018224 KK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587018259 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3cc21 ZINC000587018264 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587018274 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4cc(Br)c(Br)cc4[nH]3)cs2)s1 ZINC000587018290 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2c1 ZINC000587018304 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587018308 KK Annotated Bother CC(C)Oc1cc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2cc1Br ZINC000587018321 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc(-c4ccc(Br)s4)n3)nc1-2 ZINC000587018327 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3cc21 ZINC000587018336 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(O)n3)[nH]c21 ZINC000587018389 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c21 ZINC000587018406 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c12 ZINC000587018414 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3csc(Nc4cccc5ncccc45)n3)[nH]c2c1 ZINC000587018417 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587018423 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018429 KK Annotated Mild CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587018434 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc21 ZINC000587018439 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587018450 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587018464 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587018476 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000587018480 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c21 ZINC000587018481 KK Annotated Clean CC(C)Oc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587018490 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587018491 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018493 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587018498 KK Annotated Anodyne CC(C)CCOc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587018499 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587018500 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587018501 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C(C)(C)c5csc(-c6c(Cl)cccc6Cl)n5)[nH]c4c3)cc2)CC1 ZINC000587018503 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587018506 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587018509 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587018515 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c21 ZINC000587018519 KK Annotated Clean CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cccc(I)c2[nH]1 ZINC000587018521 KK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018532 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587018539 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587018547 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018553 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587018569 KK Annotated Bother CCCOc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587018570 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587018580 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)nc2c1 ZINC000587018585 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587018587 KK Annotated Anodyne Brc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2cc1OCc1ccccc1 ZINC000587018590 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587018595 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587018601 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587018608 KK Annotated Reactive CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587018614 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587018616 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587018697 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587018714 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(I)cc2[nH]1 ZINC000587018721 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587018727 KK Annotated Anodyne CC(C)COc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587018742 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587018745 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018747 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587018751 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)c5csc(-c6c(Cl)cccc6Cl)n5)[nH]c4c3)o2)cc1 ZINC000587018755 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587018765 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018791 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 ZINC000587018792 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c1 ZINC000587018806 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cs1)c1cccs1 ZINC000587018848 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587018863 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587018864 KK Annotated Clean O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cs1 ZINC000587018865 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587018867 KK Annotated Reactive COC(=O)c1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587018890 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587018894 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c3c2)cc1 ZINC000587018897 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1 ZINC000587018905 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587018940 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587018941 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587018945 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3cc21 ZINC000587018964 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cs1 ZINC000587018972 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)Nc5ccccc5)n4)[nH]c3cc21 ZINC000587018977 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587018987 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cs1 ZINC000587018990 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587018999 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587019019 KK Annotated Reactive CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587019041 KK Annotated Anodyne CC(C)COc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587019076 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587019084 KK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019095 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587019098 KK Annotated Reactive CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cs1 ZINC000587019099 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)nc1-2 ZINC000587019110 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019138 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019153 KK Annotated Anodyne Brc1ccc(-c2nc(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cs2)s1 ZINC000587019159 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc(NC(=O)Nc6ccccc6)n5)[nH]c4c3)o2)cc1 ZINC000587019184 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cs1 ZINC000587019207 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(I)cnc2[nH]1 ZINC000587019208 KK Annotated Anodyne COC(=O)c1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587019222 KK Annotated Anodyne CCCCOc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587019231 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(-c5ccc6c(c5)OCCO6)n4)[nH]c3cc21 ZINC000587019234 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3cc21 ZINC000587019235 KK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1Br ZINC000587019261 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587019270 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3cc21 ZINC000587019284 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587019287 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587019294 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3cc21 ZINC000587019296 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c21 ZINC000587019299 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c3cc21 ZINC000587019300 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c21 ZINC000587019304 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c3cc21 ZINC000587019309 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)cc1 ZINC000587019334 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5csc(-c6ccc(Br)s6)n5)[nH]c4c3)cc2)CC1 ZINC000587019337 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587019345 KK Annotated Mild CCCCCCCCOc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587019352 KK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 ZINC000587019358 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587019362 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019365 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)c4csc(-c5c(Cl)cccc5Cl)n4)[nH]c3c2)cc1 ZINC000587019377 KK Annotated Anodyne CCCCCOc1cc2nc(C(C)(C)c3csc(-c4c(Cl)cccc4Cl)n3)[nH]c2cc1Br ZINC000587019384 KK Annotated Anodyne CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587019385 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 ZINC000587019387 KK Annotated Reactive CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587019388 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 ZINC000587019393 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c1 ZINC000587019411 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cs1 ZINC000587019425 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019461 KK Annotated Mild CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cs1 ZINC000587019480 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019497 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3cc21 ZINC000587019502 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587019507 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587019510 KK Annotated Reactive O=C(Nc1nc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cs1)c1cccs1 ZINC000587019516 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cs1 ZINC000587019548 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1Br ZINC000587019560 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)Nc5ccccc5)n4)[nH]c3cc21 ZINC000587019577 KK Annotated Clean CCCCCCCCOc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1Br ZINC000587019594 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c21 ZINC000587019602 KK Annotated Clean CC(C)COc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019628 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc(NC(=O)c6cccc(O)c6)n5)[nH]c4c3)o2)cc1 ZINC000587019633 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cs1 ZINC000587019657 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cs1 ZINC000587019661 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3cc21 ZINC000587019680 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c21 ZINC000587019687 KK Annotated Clean CC(C)CCOc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1Br ZINC000587019767 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587019792 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cs1)c1cccs1 ZINC000587019847 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cs1 ZINC000587019876 KK Annotated Anodyne O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cs1 ZINC000587019886 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccs1 ZINC000587019959 KK Annotated Reactive O=C(Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587019961 KK Annotated Anodyne CCCCOc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587019964 KK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cs1 ZINC000587019990 KK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2)cs1 ZINC000587019994 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cc1Br ZINC000587020006 KK Annotated Mild Cc1nc(COc2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cs1 ZINC000587020036 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587020081 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4csc(-c5ccc(Br)s5)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587020084 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1Br ZINC000587020104 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587020115 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 ZINC000587020127 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cs1)c1cccc(O)c1 ZINC000587020132 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587020144 KK Annotated Anodyne O=C(Nc1nc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cs1)c1cccc(O)c1 ZINC000587020147 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c21 ZINC000587020170 KK Annotated Clean CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cs1 ZINC000587020181 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cs1 ZINC000587020194 KK Annotated Bother Cc1csc(SCc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)n1 ZINC000587020200 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cccc(OCc5csc(C)n5)c4)[nH]c3c2)cc1 ZINC000587020208 KK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cs1 ZINC000587020219 KK Annotated Reactive Cc1csc(SCc2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020250 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cs1 ZINC000587020267 KK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c2)cs1 ZINC000587020296 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c(F)c1Nc1ccccc1 ZINC000587020321 KK Annotated Anodyne Cc1nc(COc2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cs1 ZINC000587020353 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c21 ZINC000587020358 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(OCc5csc(C)n5)c4)[nH]c3cc21 ZINC000587020363 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 ZINC000587020381 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc(NC(=O)OC(C)(C)C)n5)[nH]c4c3)o2)cc1 ZINC000587020412 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587020450 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c[nH]cc4-c4csc(C)n4)[nH]c3cc21 ZINC000587020527 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc(NC(=O)OC(C)(C)C)n4)[nH]c3cc21 ZINC000587020540 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587020580 KK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587020593 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(OCc5csc(C)n5)c4)[nH]c3cc21 ZINC000587020637 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587020644 KK Annotated Bother CC(C)Oc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587020715 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cc1Br ZINC000587020717 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cc1Br ZINC000587020733 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5csc(N)n5)c4)[nH]c3cc21 ZINC000587020800 KK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)n1 ZINC000587020875 KK Annotated Anodyne Cc1nc(-c2c[nH]cc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cs1 ZINC000587020997 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CSc5nc(C)cs5)cc4)nc3cc21 ZINC000587021006 KK Annotated Clean Cc1csc(SCc2ccc(-c3nc4cc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)ccc4[nH]3)cc2)n1 ZINC000587021038 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc([C@@H](C)O)s4)[nH]c3cc21 ZINC000587021060 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc([C@H](C)O)s4)[nH]c3cc21 ZINC000587021065 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(Nc5nc(-c6ccccn6)cs5)c4)[nH]c3cc21 ZINC000587021069 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587021087 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587021089 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587021122 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc([C@H](C)O)s4)[nH]c3cc21 ZINC000587021154 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc([C@@H](C)O)s4)[nH]c3cc21 ZINC000587021159 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c3cc21 ZINC000587021168 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CSc5nc(C)cs5)cc4)nc3cc21 ZINC000587021218 KK Annotated Anodyne Cc1csc(SCc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)n1 ZINC000587021274 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(C#N)s3)[nH]c21 ZINC000587021305 KK Annotated Mild CC(C)COc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587021377 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(-c5cnn(C)c5)s4)[nH]c3cc21 ZINC000587021622 KK Annotated Clean Cc1csc(SCc2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)n1 ZINC000587021676 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 ZINC000587021704 KK Annotated Anodyne CCCOc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587021788 KK Annotated Anodyne Brc1cc2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2cc1OCc1ccccc1 ZINC000587021824 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c[nH]cc4-c4csc(C)n4)[nH]c3cc21 ZINC000587021839 KK Annotated Clean CCCCOc1cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c2cc1Br ZINC000587021901 KK Annotated Anodyne Cn1cc(-c2ncc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)s2)cn1 ZINC000587021912 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cnc(Cc4ccccc4)s3)nc1-2 ZINC000587021941 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2c1 ZINC000587021944 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(Cc4ccccc4)s3)[nH]c21 ZINC000587022011 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4csc(N)n4)c3)[nH]c21 ZINC000587022012 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(Nc5nc(-c6ccccn6)cs5)c4)[nH]c3cc21 ZINC000587022081 KK Annotated Clean Nc1nc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cs1 ZINC000587022108 KK Annotated Bother Cc1csc(SCc2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)n1 ZINC000587022165 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c12 ZINC000587022220 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c[nH]cc3-c3csc(C)n3)[nH]c21 ZINC000587022238 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c21 ZINC000587022245 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc21 ZINC000587022308 KK Annotated Clean Cc1nc(-c2c[nH]cc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cs1 ZINC000587022313 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(Nc6nc(-c7ccccn7)cs6)c5)[nH]c4c3)o2)cc1 ZINC000587022350 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2c1 ZINC000587022361 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc([C@H](C)O)s3)[nH]c21 ZINC000587022379 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc([C@@H](C)O)s3)[nH]c21 ZINC000587022382 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc21 ZINC000587022432 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)[nH]c21 ZINC000587022513 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc1-2 ZINC000587022530 KK Annotated Anodyne Nc1nc(-c2cccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2)cs1 ZINC000587022534 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5csc(N)n5)c4)[nH]c3cc21 ZINC000587022543 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc21 ZINC000587022568 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(C#N)s4)[nH]c3cc21 ZINC000587022603 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(Cl)s4)[nH]c3cc21 ZINC000587022921 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc21 ZINC000587022963 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4nccs4)cc3)nc21 ZINC000587023066 KK Annotated Clean CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)s1 ZINC000587023078 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(Cl)s4)[nH]c3cc21 ZINC000587023080 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)s1 ZINC000587023096 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)s1 ZINC000587023146 KK Annotated Reactive CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)s1 ZINC000587023252 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4nccs4)s3)nc21 ZINC000587023281 KK Annotated Clean CC(C)(C)OC(=O)Nc1cnc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)s1 ZINC000587023321 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc21 ZINC000587023337 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(Cl)s3)[nH]c21 ZINC000587023374 KK Annotated Clean O=C(O)c1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587023376 KK Annotated Bother CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)s1 ZINC000587023417 KK Annotated Bother O=C(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023439 KK Annotated Reactive O=C(CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587023481 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(-c4nccs4)s3)[nH]c12 ZINC000587023526 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587023539 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ncc(NC(=O)OC(C)(C)C)s4)nc3cc21 ZINC000587023669 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)s1 ZINC000587023754 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587023762 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c21 ZINC000587023763 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3cc21 ZINC000587023776 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4nnc(NC(=O)OC(C)(C)C)s4)[nH]c3cc21 ZINC000587023783 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Br ZINC000587023881 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ncc(NC(=O)OC(C)(C)C)s4)nc3cc21 ZINC000587023937 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 ZINC000587023954 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)s1 ZINC000587024057 KK Annotated Anodyne O=C(CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)Nc1nnc(-c2ccncc2)s1 ZINC000587024060 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)Nc4nnc(-c5ccncc5)s4)[nH]c3cc21 ZINC000587024069 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5nccs5)s4)nc3cc21 ZINC000587024116 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1Br ZINC000587024125 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3cc21 ZINC000587024138 KK Annotated Clean O=C(O)c1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587024143 KK Annotated Bother CCCCCOc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Br ZINC000587024146 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(-c4nccs4)cc3)[nH]c12 ZINC000587024173 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c21 ZINC000587024254 KK Annotated Clean CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 ZINC000587024336 KK Annotated Reactive CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)s1 ZINC000587024352 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4nnc(NC(=O)OC(C)(C)C)s4)[nH]c3cc21 ZINC000587024385 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(-c5nccs5)s4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587024396 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(S)s3)[nH]c21 ZINC000587024437 KK Annotated Clean COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587024461 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587024465 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587024466 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587024467 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3nnc(S)s3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587024477 KK Annotated Bother O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024489 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024490 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024491 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024493 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024512 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024515 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024517 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024519 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)c4ccsc4)[nH]c3cc21 ZINC000587024566 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)c4ccsc4)[nH]c3cc21 ZINC000587024570 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587024587 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587024596 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587024597 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587024599 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587024602 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587024607 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587024609 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587024612 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccsc4)[nH]c3cc21 ZINC000587024804 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccsc4)[nH]c3cc21 ZINC000587024805 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587024859 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587024860 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587024861 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c21 ZINC000587024863 KK Annotated Clean O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024888 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024889 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024891 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024893 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSCc3ccsc3)[nH]c21 ZINC000587024927 KK Annotated Clean O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587024956 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587024959 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587024960 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587024961 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025148 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025149 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025150 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025151 KK Annotated Clean CCCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025213 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025216 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025217 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025220 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025274 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025279 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025280 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025281 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(S)s4)[nH]c3cc21 ZINC000587025294 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(-c4ccsc4)c3)nc1-2 ZINC000587025379 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccsc4)c3)[nH]c21 ZINC000587025407 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025436 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025438 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025443 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3cc21 ZINC000587025445 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025462 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025466 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025467 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025468 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)c4ccsc4)[nH]c3cc21 ZINC000587025499 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)c4ccsc4)[nH]c3cc21 ZINC000587025503 KK Annotated Clean O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025550 KK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025551 KK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025552 KK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025554 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccsc4)[nH]c3cc21 ZINC000587025594 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccsc4)[nH]c3cc21 ZINC000587025598 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccsc5)c4)[nH]c3cc21 ZINC000587025785 KK Annotated Clean CC(C)CCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025812 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025822 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025823 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587025824 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587025915 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587025916 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587025918 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587025922 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587025926 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587025932 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587025933 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587025937 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccsc3)[nH]c21 ZINC000587025982 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccsc3)[nH]c21 ZINC000587025983 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026017 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026021 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026023 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026025 KK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587026070 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3nc(-c4ccsc4)oc3C)[nH]c21 ZINC000587026088 KK Annotated Clean CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@H]6CCCC[C@@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026188 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@H]6CCCC[C@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026195 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@@H]6CCCC[C@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026200 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@@H]6CCCC[C@@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026205 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026235 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026238 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026242 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026246 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026268 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026273 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026274 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026276 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026279 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026287 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026290 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587026292 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSCc4ccsc4)[nH]c3cc21 ZINC000587026326 KK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587026348 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1Br ZINC000587026402 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)c3ccsc3)[nH]c21 ZINC000587026523 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)c3ccsc3)[nH]c21 ZINC000587026527 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(S)s4)[nH]c3cc21 ZINC000587026535 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4nc(-c5ccsc5)oc4C)[nH]c3cc21 ZINC000587026537 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026721 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026727 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026728 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)cc1 ZINC000587026730 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587026796 KK Annotated Bother Cc1oc(-c2ccsc2)nc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587026805 KK Annotated Reactive O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587026903 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587026904 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587026905 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587026906 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026962 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026963 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026964 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 ZINC000587026965 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@H]6CCCC[C@@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026974 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@@H]6CCCC[C@@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026977 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@H]6CCCC[C@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026978 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@@H]6CCCC[C@H]6N5C(=O)Cc5ccsc5)[nH]c4c3)cc2)CC1 ZINC000587026980 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027019 KK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587027027 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027076 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027077 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027078 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccsc5)c4)[nH]c3cc21 ZINC000587027111 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027138 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027140 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027141 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 ZINC000587027142 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027223 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027224 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027225 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027226 KK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587027267 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4nc(-c5ccsc5)oc4C)[nH]c3cc21 ZINC000587027275 KK Annotated Clean O=C(Cc1ccsc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027431 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027433 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027435 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027437 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)c4cscn4)[nH]c3cc21 ZINC000587027454 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587027480 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587027481 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5CCCC[C@@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587027484 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]5CCCC[C@H]5N4C(=O)Cc4ccsc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587027485 KK Annotated Anodyne Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587027655 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ncsc3-c3ccccc3)[nH]c21 ZINC000587027707 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4scnc4C)[nH]c3cc21 ZINC000587027719 KK Annotated Clean Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587027730 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587027850 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587027853 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587027855 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587027858 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)c3cscn3)[nH]c21 ZINC000587027960 KK Annotated Clean Cc1ncsc1-c1c[nH]cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587027970 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSCc4ccsc4)[nH]c3cc21 ZINC000587028065 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4scnc4C)[nH]c3cc21 ZINC000587028097 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c[nH]cc4-c4scnc4C)[nH]c3cc21 ZINC000587028114 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3scnc3C)[nH]c21 ZINC000587028115 KK Annotated Clean O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028129 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028130 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028132 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028134 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc1-2 ZINC000587028194 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc1-2 ZINC000587028199 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc1-2 ZINC000587028200 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc1-2 ZINC000587028201 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c[nH]cc4-c4scnc4C)[nH]c3cc21 ZINC000587028225 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c[nH]cc3-c3scnc3C)[nH]c21 ZINC000587028251 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ncsc4-c4ccccc4)[nH]c3cc21 ZINC000587028303 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587028359 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028384 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028385 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028386 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028387 KK Annotated Mild O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028403 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028404 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028405 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028406 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028408 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028409 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028410 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028411 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028456 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028459 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028460 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 ZINC000587028461 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028487 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028488 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028489 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cc1Br ZINC000587028490 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 ZINC000587028505 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 ZINC000587028507 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 ZINC000587028508 KK Annotated Anodyne O=C(Cc1ccsc1)N1[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 ZINC000587028509 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ncsc4-c4ccccc4)[nH]c3cc21 ZINC000587028552 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3ncsc3-c3ccccc3)nc12 ZINC000587028590 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Br ZINC000587028969 KK Annotated Mild Nc1c(-c2nc3c(Br)ccc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587029006 KK Annotated Anodyne Cc1c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029023 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)Cc3cscn3)[nH]c21 ZINC000587029049 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4OCc4cscn4)[nH]c3cc21 ZINC000587029090 KK Annotated Anodyne Cc1c(-c2nc3c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)cccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029108 KK Annotated Anodyne Cc1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029120 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587029122 KK Annotated Bother Nc1c(-c2nc3cc(Br)c(Br)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587029148 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 ZINC000587029373 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3OCc3cscn3)[nH]c21 ZINC000587029441 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc21 ZINC000587029464 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 ZINC000587029557 KK Annotated Reactive Cc1c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029565 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4sc5c(c4C)C(=O)N4CCC=C4N5)nc3cc21 ZINC000587029586 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3OCc3cscn3)nc1-2 ZINC000587029604 KK Annotated Anodyne Cc1c(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587029607 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4cscn4)[nH]c3cc21 ZINC000587029741 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4sc5c(c4C)C(=O)N4CCC=C4N5)nc3cc21 ZINC000587030036 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(Cn5c(-c6cscn6)nc6ccccc65)[nH]c4c3)o2)cc1 ZINC000587030048 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4c(-c5cscn5)nc5ccccc54)[nH]c3cc21 ZINC000587030062 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4OCc4cscn4)[nH]c3cc21 ZINC000587030076 KK Annotated Clean Cc1c(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 ZINC000587030150 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Br)cnc(Br)c3[nH]1)N2 ZINC000587030157 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Br)cnc(Br)c3[nH]1)N2 ZINC000587030158 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Br)cnc(Br)c3[nH]1)N2 ZINC000587030159 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Br)cnc(Br)c3[nH]1)N2 ZINC000587030160 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587030204 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587030208 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587030210 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587030212 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587030276 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cc1Br ZINC000587030307 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cc1Br ZINC000587030308 KK Annotated Mild COC(=O)c1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587030354 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587030367 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587030368 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587030369 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587030370 KK Annotated Anodyne Nc1c(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)sc2cc(Br)ccc12 ZINC000587030379 KK Annotated Anodyne Nc1c(-c2nc3c(I)cnc(Cl)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030380 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587030398 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587030399 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587030400 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587030401 KK Annotated Anodyne Nc1c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587030413 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c(F)c1Nc1ccccc1 ZINC000587030454 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c(F)c1Nc1ccccc1 ZINC000587030455 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)N2 ZINC000587030464 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)N2 ZINC000587030465 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)N2 ZINC000587030466 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(-c4nc5ccccc5s4)cc3[nH]1)N2 ZINC000587030467 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)c21 ZINC000587030483 KK Annotated Reactive C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)c21 ZINC000587030484 KK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)N2 ZINC000587030490 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)N2 ZINC000587030491 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)N2 ZINC000587030492 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)N2 ZINC000587030493 KK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)c21 ZINC000587030538 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)c21 ZINC000587030539 KK Annotated Anodyne Nc1c(-c2nc3c(Br)cnc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587030572 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587030615 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc6cc(Br)ccc6c5N)[nH]c4c3)o2)cc1 ZINC000587030642 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)N2 ZINC000587030649 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)N2 ZINC000587030650 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)N2 ZINC000587030651 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)N2 ZINC000587030652 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc21 ZINC000587030691 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc21 ZINC000587030692 KK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)c(Br)cc3[nH]1)N2 ZINC000587030835 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)c(Br)cc3[nH]1)N2 ZINC000587030836 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)c(Br)cc3[nH]1)N2 ZINC000587030837 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)c(Br)cc3[nH]1)N2 ZINC000587030838 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587030846 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587030847 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587030848 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587030849 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)N2 ZINC000587030875 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)N2 ZINC000587030876 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)N2 ZINC000587030877 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)N2 ZINC000587030878 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587030934 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cc1Br ZINC000587030953 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5c(-n6cccc6)sc6c5[C@@H](C)CCC6)nc4c3)o2)cc1 ZINC000587030970 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030974 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5c(-n6cccc6)sc6c5[C@H](C)CCC6)nc4c3)o2)cc1 ZINC000587030975 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030977 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030978 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587030980 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030982 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030983 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030985 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030987 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3c2)cc1 ZINC000587030989 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030992 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030996 KK Annotated Anodyne CCCCOc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587030998 KK Annotated Anodyne CCCCOc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587031000 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587031047 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587031048 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587031049 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587031050 KK Annotated Clean C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)ccc4[nH]3)c21 ZINC000587031092 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)ccc4[nH]3)c21 ZINC000587031095 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2C1 ZINC000587031097 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587031160 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587031162 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587031165 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2c1 ZINC000587031167 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)N2 ZINC000587031214 KK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)cccc4[nH]3)c21 ZINC000587031215 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)cccc4[nH]3)c21 ZINC000587031219 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)N2 ZINC000587031221 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)N2 ZINC000587031224 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCC4)nc1-2 ZINC000587031225 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)N2 ZINC000587031227 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc4cc(Br)ccc4c3N)[nH]c21 ZINC000587031235 KK Annotated Clean C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)c21 ZINC000587031236 KK Annotated Bother C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)c21 ZINC000587031239 KK Annotated Bother CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2C1 ZINC000587031241 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 ZINC000587031261 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5csc6c5CN(C(=O)OC(C)(C)C)CC6)[nH]c4c3)o2)cc1 ZINC000587031271 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031290 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031292 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031295 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031296 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)N2 ZINC000587031320 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)N2 ZINC000587031322 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)N2 ZINC000587031324 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)N2 ZINC000587031326 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc5c4CCOC5)[nH]c3cc21 ZINC000587031344 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2C1 ZINC000587031348 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031370 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031375 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031376 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OC(C)C)c(Br)cc3[nH]1)N2 ZINC000587031377 KK Annotated Anodyne Nc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587031403 KK Annotated Reactive CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2C1 ZINC000587031451 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587031468 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587031475 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587031478 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(Br)cc(C(F)(F)F)c3[nH]1)N2 ZINC000587031480 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2C1 ZINC000587031490 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2C1 ZINC000587031506 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4c(-n5cccc5)sc5c4[C@H](C)CCC5)nc3cc21 ZINC000587031509 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4c(-n5cccc5)sc5c4[C@@H](C)CCC5)nc3cc21 ZINC000587031511 KK Annotated Clean CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2C1 ZINC000587031512 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c21 ZINC000587031553 KK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)N2 ZINC000587031570 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)N2 ZINC000587031576 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)N2 ZINC000587031578 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)N2 ZINC000587031581 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031598 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031601 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031604 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031606 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c21 ZINC000587031683 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c21 ZINC000587031687 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c21 ZINC000587031690 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c21 ZINC000587031692 KK Annotated Clean CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2C1 ZINC000587031693 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2C1 ZINC000587031713 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031729 KK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031733 KK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031735 KK Annotated Reactive Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587031738 KK Annotated Reactive CC(C)(C)OC(=O)N1CCc2scc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2C1 ZINC000587031768 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)N2 ZINC000587031780 KK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)N2 ZINC000587031785 KK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)N2 ZINC000587031789 KK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)N2 ZINC000587031793 KK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587031796 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587031798 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4c(-n5cccc5)sc5c4[C@@H](C)CCC5)nc3cc21 ZINC000587031799 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587031800 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)c(Br)cc3[nH]1)N2 ZINC000587031802 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c3cc21 ZINC000587031810 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4c(-n5cccc5)sc5c4[C@H](C)CCC5)nc3cc21 ZINC000587031812 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587031835 KK Annotated Anodyne Nc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587031856 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2C1 ZINC000587031884 KK Annotated Anodyne CCCCOc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587031951 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587031973 KK Annotated Mild C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c21 ZINC000587032011 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c21 ZINC000587032015 KK Annotated Anodyne COC(=O)c1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587032054 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587032069 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2C1 ZINC000587032125 KK Annotated Anodyne Nc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587032135 KK Annotated Bother C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(=O)Nc5ccc(C(F)(F)F)cc5)cccc4[nH]3)c21 ZINC000587032184 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(C(=O)Nc5ccc(C(F)(F)F)cc5)cccc4[nH]3)c21 ZINC000587032196 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2C1 ZINC000587032207 KK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)Nc5ccc(Cl)cc5)ccc4[nH]3)c21 ZINC000587032239 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc4c3CCOC4)[nH]c21 ZINC000587032243 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3cc21 ZINC000587032245 KK Annotated Clean C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)Nc5ccc(Cl)cc5)ccc4[nH]3)c21 ZINC000587032248 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc5cc(Br)ccc5c4N)[nH]c3cc21 ZINC000587032256 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2C1 ZINC000587032266 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)N2 ZINC000587032278 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)N2 ZINC000587032280 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)N2 ZINC000587032282 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)N2 ZINC000587032284 KK Annotated Anodyne CC(C)COc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587032293 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2c1 ZINC000587032314 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2c1 ZINC000587032318 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc4ccc(O)cc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587032325 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)nc2c1 ZINC000587032346 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4[C@@H](C)CCC5)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587032361 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4[C@H](C)CCC5)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587032364 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)c2C1 ZINC000587032366 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 ZINC000587032377 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc5ccc(O)cc45)[nH]c3cc21 ZINC000587032378 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc21 ZINC000587032393 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc5ccc(O)cc45)[nH]c3cc21 ZINC000587032410 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4csc5c4CCOC5)[nH]c3cc21 ZINC000587032449 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587032462 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587032465 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587032466 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587032467 KK Annotated Anodyne CCCCCOc1cc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2cc1Br ZINC000587032472 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)N2 ZINC000587032482 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)N2 ZINC000587032483 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)N2 ZINC000587032484 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(Br)c(C(F)(F)F)c3[nH]1)N2 ZINC000587032485 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587032499 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3csc4c3CCOC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587032500 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587032502 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587032506 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3cc21 ZINC000587032509 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2C1 ZINC000587032511 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c3c2)cc1 ZINC000587032528 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c2C1 ZINC000587032539 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2C1 ZINC000587032631 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc1-2 ZINC000587032676 KK Annotated Anodyne N=c1[nH]c2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2c(Cl)[nH]1 ZINC000587032681 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587032685 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587032689 KK Annotated Mild CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587032691 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587032692 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587032699 KK Annotated Clean CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587032701 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc21 ZINC000587032710 KK Annotated Clean Cc1c(F)ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587032713 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587032717 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587032729 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587032738 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c2C1 ZINC000587032741 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587032749 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587032751 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587032752 KK Annotated Anodyne CC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587032753 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032755 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](Cc5csc6ccccc56)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587032765 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032769 KK Annotated Anodyne N#Cc1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587032772 KK Annotated Mild O=C(N[C@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032776 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032780 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cnccc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032782 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Cl)ccnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032784 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032788 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032790 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587032794 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032797 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587032805 KK Annotated Clean O=C(N[C@H](Cc1nc2cccc(O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032810 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587032813 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587032816 KK Annotated Anodyne CC(C)(C)c1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587032817 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(O)nc(O)nc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032818 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032819 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)ccc2s1 ZINC000587032823 KK Annotated Anodyne COC(=O)c1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587032835 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032842 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(O)ncnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032846 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032847 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032850 KK Annotated Bother O=C(N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032855 KK Annotated Reactive O=C(N[C@H](Cc1nc2ccc(Br)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032862 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032864 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c5cccnc5c5ncccc5c4[nH]3)ccc2s1 ZINC000587032865 KK Annotated Bother COC(=O)c1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587032867 KK Annotated Anodyne COc1cncc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587032885 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032901 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc21 ZINC000587032915 KK Annotated Clean Nc1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)sc2cc(Br)ccc12 ZINC000587032918 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032919 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc21 ZINC000587032921 KK Annotated Clean CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c2C1 ZINC000587032924 KK Annotated Anodyne N#Cc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587032930 KK Annotated Mild O=C(N[C@H](Cc1nc2ccc(I)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587032943 KK Annotated Anodyne Nc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1N ZINC000587032947 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)N2 ZINC000587032958 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)N2 ZINC000587032961 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)N2 ZINC000587032962 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)N2 ZINC000587032963 KK Annotated Anodyne Nc1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587033005 KK Annotated Anodyne Nc1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)sc2cc(Br)ccc12 ZINC000587033014 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(I)cnc(Cl)c3[nH]1)N2 ZINC000587033037 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(I)cnc(Cl)c3[nH]1)N2 ZINC000587033041 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(I)cnc(Cl)c3[nH]1)N2 ZINC000587033042 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(I)cnc(Cl)c3[nH]1)N2 ZINC000587033043 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)N2 ZINC000587033044 KK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)N2 ZINC000587033047 KK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)N2 ZINC000587033049 KK Annotated Clean Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc4c(c3[nH]1)C(=O)c1ccccc1C4=O)N2 ZINC000587033052 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc([C@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587033066 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587033069 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4c(-n5cccc5)sc5c4CCC5)nc3cc21 ZINC000587033070 KK Annotated Anodyne C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)Nc5ccccc5Cl)ccc4[nH]3)c21 ZINC000587033098 KK Annotated Anodyne C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(S(=O)(=O)Nc5ccccc5Cl)ccc4[nH]3)c21 ZINC000587033099 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)ccc2s1 ZINC000587033146 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033218 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033219 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033220 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033221 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587033222 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587033223 KK Annotated Anodyne Cc1cnc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587033226 KK Annotated Anodyne CSc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587033227 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033229 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587033230 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)S/C=C4/NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587033231 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)S/C=C4\NC(=O)c5c(sc(C)c5C)N4)[nH]c3c2)cc1 ZINC000587033232 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587033235 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587033239 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587033240 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587033241 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(C(F)(F)F)cc(Br)c3[nH]1)N2 ZINC000587033242 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033251 KK Annotated Anodyne Cc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587033264 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033266 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033269 KK Annotated Anodyne Cc1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587033271 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033275 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033278 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033279 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033280 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033281 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033285 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587033287 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587033293 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033294 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587033299 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)N2 ZINC000587033301 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)N2 ZINC000587033302 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587033303 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)N2 ZINC000587033304 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)N2 ZINC000587033305 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033306 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587033319 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033322 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587033323 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587033324 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)N2 ZINC000587033325 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033326 KK Annotated Bother Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(Br)ccc(Br)c3[nH]1)N2 ZINC000587033327 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(Br)ccc(Br)c3[nH]1)N2 ZINC000587033328 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(Br)ccc(Br)c3[nH]1)N2 ZINC000587033329 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(Br)ccc(Br)c3[nH]1)N2 ZINC000587033330 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3csc4ccc(O)cc34)[nH]c21 ZINC000587033367 KK Annotated Clean CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587033385 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587033390 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1Br ZINC000587033401 KK Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)ccc2s1 ZINC000587033402 KK Annotated Clean O=C(N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033418 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C[C@H](Cc5csc6ccccc56)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587033427 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4[C@@H](C)CCC5)nc3c2)cc1 ZINC000587033429 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4c(-n5cccc5)sc5c4[C@H](C)CCC5)nc3c2)cc1 ZINC000587033430 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(OCc5ccccc5)cc4[nH]3)ccc2s1 ZINC000587033435 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033436 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033444 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587033450 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(O)nc(S)nc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033457 KK Annotated Anodyne O=C(O)c1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587033463 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587033464 KK Annotated Clean Cc1cc(Br)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587033469 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(C(=O)O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033479 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587033497 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033502 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033515 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)ccc2s1 ZINC000587033517 KK Annotated Anodyne CC(C)COc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587033523 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc5c(s4)CC[C@H](C)C5)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587033536 KK Annotated Anodyne C=CCc1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587033538 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc5c(s4)CC[C@@H](C)C5)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587033541 KK Annotated Anodyne Nc1ccnc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587033548 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033557 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033563 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033565 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587033577 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033587 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587033634 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587033636 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587033638 KK Annotated Anodyne Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)N2 ZINC000587033639 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)S/C=C5\NC(=O)c6c(sc(C)c6C)N5)[nH]c4c3)o2)cc1 ZINC000587033648 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)S/C=C5/NC(=O)c6c(sc(C)c6C)N5)[nH]c4c3)o2)cc1 ZINC000587033653 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)S/C=C5/NC(=O)c6c(sc(C)c6C)N5)[nH]c4c3)o2)cc1 ZINC000587033655 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)S/C=C5\NC(=O)c6c(sc(C)c6C)N5)[nH]c4c3)o2)cc1 ZINC000587033657 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587033659 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587033662 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587033663 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 ZINC000587033664 KK Annotated Anodyne CCCOc1cc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033671 KK Annotated Anodyne CCCOc1cc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033673 KK Annotated Anodyne CCCOc1cc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033674 KK Annotated Anodyne CCCOc1cc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2cc1Br ZINC000587033675 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 ZINC000587033682 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3csc4ccc(O)cc34)nc1-2 ZINC000587033691 KK Annotated Anodyne Nc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)sc2cc(Br)ccc12 ZINC000587033693 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br ZINC000587033727 KK Annotated Mild C[C@H]1CCc2sc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2C1 ZINC000587033736 KK Annotated Anodyne C[C@@H]1CCc2sc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2C1 ZINC000587033738 KK Annotated Anodyne O=C(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587033778 KK Annotated Reactive CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)c(Br)cc4[nH]3)ccc2s1 ZINC000587033785 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)ccc2s1 ZINC000587033811 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587033823 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)ccc2s1 ZINC000587033827 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1N ZINC000587033828 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)ccc2s1 ZINC000587033831 KK Annotated Clean CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)ccc2s1 ZINC000587033832 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033833 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033839 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033846 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)ccc2s1 ZINC000587033851 KK Annotated Anodyne O=C(N[C@H](Cc1nc2nc(Br)c[nH]c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033854 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033861 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033866 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)ccc2s1 ZINC000587033874 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033880 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)ccc2s1 ZINC000587033882 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587033892 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587033898 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033901 KK Annotated Anodyne Cc1cc(C)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587033909 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)ccc2s1 ZINC000587033910 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587033914 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)c(C)c4[nH]3)ccc2s1 ZINC000587033921 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3c(cc2[nH]1)OCO3)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033926 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Br)ccnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033936 KK Annotated Anodyne Cc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587033938 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587033942 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cc(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033947 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)ccc2s1 ZINC000587033955 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1C ZINC000587033956 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)ccc2s1 ZINC000587033957 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587033959 KK Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Br)ccc(Br)c4[nH]3)ccc2s1 ZINC000587033960 KK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587033964 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587033972 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc2s1 ZINC000587033975 KK Annotated Reactive Nc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587033976 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccnc(O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033977 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Cl)ncnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587033983 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587033991 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034001 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034005 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034011 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cncnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034012 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034015 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034017 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587034022 KK Annotated Bother O=C(N[C@H](Cc1nc2c(F)cnc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034023 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587034024 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587034025 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034026 KK Annotated Anodyne Cc1cc(Cl)cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587034027 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 ZINC000587034034 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034035 KK Annotated Bother CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587034037 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587034040 KK Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034042 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587034048 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034052 KK Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034071 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034085 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034094 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4nc5ccc(OC)cc5s4)nc3cc21 ZINC000587034142 KK Annotated Clean CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)ccc2s1 ZINC000587034209 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc(C)c4[nH]3)ccc2s1 ZINC000587034210 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C)cc(Br)c4[nH]3)ccc2s1 ZINC000587034231 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)ccc2s1 ZINC000587034237 KK Annotated Anodyne CCCOc1cc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c2cc1Br ZINC000587034250 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)ccc2s1 ZINC000587034252 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2s1 ZINC000587034287 KK Annotated Reactive C[C@H]1CCc2sc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2C1 ZINC000587034294 KK Annotated Bother C[C@@H]1CCc2sc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2C1 ZINC000587034296 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587034309 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3cc21 ZINC000587034327 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587034335 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)ccc2s1 ZINC000587034343 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587034344 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)ccc2s1 ZINC000587034373 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)ccc2s1 ZINC000587034417 KK Annotated Anodyne O=C(N[C@H](Cc1nc2nc(Cl)c[nH]c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034457 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034469 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034472 KK Annotated Bother CCS(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034477 KK Annotated Anodyne Cc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587034493 KK Annotated Anodyne Cc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034494 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(CO)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034496 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587034518 KK Annotated Bother Cc1ccc(C)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587034519 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034520 KK Annotated Reactive O=C(N[C@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034522 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034525 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cncc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034532 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034534 KK Annotated Anodyne NC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034536 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587034541 KK Annotated Bother Cc1cnc(Cl)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587034544 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(C(=O)O)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034548 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587034549 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ncc[nH]c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034554 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034560 KK Annotated Anodyne NC(=O)c1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587034561 KK Annotated Anodyne COc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587034566 KK Annotated Anodyne Cc1cncc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587034571 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034577 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)ncc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034578 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(CCO)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034580 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587034582 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034585 KK Annotated Bother O=C(N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034588 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(I)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034598 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(s4)CC[C@H](C)C5)nc3cc21 ZINC000587034599 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034600 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(s4)CC[C@@H](C)C5)nc3cc21 ZINC000587034601 KK Annotated Anodyne Nc1ncnc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587034612 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034623 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034625 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034629 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(I)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034631 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c5ccccc5c5ccccc5c4[nH]3)ccc2s1 ZINC000587034633 KK Annotated Bother O=C(N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034640 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(s4)CC[C@@H](C)C5)nc3cc21 ZINC000587034660 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(s4)CC[C@H](C)C5)nc3cc21 ZINC000587034661 KK Annotated Clean CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(F)c(Br)c4[nH]3)ccc2s1 ZINC000587034719 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(SC(F)(F)F)cc4[nH]3)ccc2s1 ZINC000587034736 KK Annotated Anodyne O=C(NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1cc2c(s1)CCC2 ZINC000587034757 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)ccc2s1 ZINC000587034777 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587034787 KK Annotated Bother O=C(O)c1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587034795 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)ccc2s1 ZINC000587034811 KK Annotated Clean CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)ccc2s1 ZINC000587034825 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587034854 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(Br)cnc(Br)c4[nH]3)ccc2s1 ZINC000587034882 KK Annotated Anodyne N#Cc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C#N ZINC000587034958 KK Annotated Mild N#Cc1nc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2nc1C#N ZINC000587034960 KK Annotated Mild O=C(N[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034964 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034965 KK Annotated Bother CC(C)Oc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034970 KK Annotated Anodyne Cc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587034971 KK Annotated Anodyne Cc1nc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587034976 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587034979 KK Annotated Anodyne Cc1cc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587034982 KK Annotated Bother O=C(N[C@H](Cc1nc2cncc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034983 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034984 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034987 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034988 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034991 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034995 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587034998 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587034999 KK Annotated Bother CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587035000 KK Annotated Bother O=C(N[C@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035001 KK Annotated Anodyne CC1=C(c2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587035005 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035006 KK Annotated Clean Cc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587035007 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035008 KK Annotated Anodyne Cc1cc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587035011 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035012 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cnnc(O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035013 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587035014 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccnc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035015 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035032 KK Annotated Mild O=C(N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035037 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587035038 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035040 KK Annotated Anodyne N=C(N)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035043 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035045 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)c(F)c(F)c4[nH]3)ccc2s1 ZINC000587035051 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035053 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035054 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccnc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035057 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035058 KK Annotated Anodyne CCc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035063 KK Annotated Anodyne COc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035065 KK Annotated Anodyne COc1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587035069 KK Annotated Anodyne COc1nccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035075 KK Annotated Anodyne CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587035078 KK Annotated Clean CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587035079 KK Annotated Clean N#Cc1cc(Br)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587035093 KK Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Cl)cc(Br)c4[nH]3)ccc2s1 ZINC000587035119 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc21 ZINC000587035122 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c21 ZINC000587035123 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc21 ZINC000587035126 KK Annotated Clean CCCCCOc1cc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c2cc1Br ZINC000587035128 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587035179 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)ccc2s1 ZINC000587035185 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)c(C)c(C)c4[nH]3)ccc2s1 ZINC000587035198 KK Annotated Anodyne O=C(NCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1cc2c(s1)CCC2 ZINC000587035199 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2c1 ZINC000587035240 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc(F)c4[nH]3)ccc2s1 ZINC000587035262 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(Br)c(F)c4[nH]3)ccc2s1 ZINC000587035267 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(F)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035268 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)ccc2s1 ZINC000587035271 KK Annotated Anodyne O=C1COc2cc3[nH]c(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)nc3cc2N1 ZINC000587035273 KK Annotated Anodyne N#Cc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587035283 KK Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)ccc2s1 ZINC000587035285 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035294 KK Annotated Bother CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)c(F)cc4[nH]3)ccc2s1 ZINC000587035295 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)nc2c1 ZINC000587035296 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)ncc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035298 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587035303 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)ccc2s1 ZINC000587035304 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cnc(Cl)[nH]c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035306 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035315 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035323 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587035324 KK Annotated Anodyne Cc1ccnc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587035330 KK Annotated Anodyne Nc1nc(O)c2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587035332 KK Annotated Anodyne CCCCOc1cc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c2cc1Br ZINC000587035333 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035348 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035352 KK Annotated Anodyne N=c1[nH]cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2[nH]1 ZINC000587035353 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Br)nc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035375 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cnncc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035379 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035380 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(O)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035383 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)c(Br)cc4[nH]3)ccc2s1 ZINC000587035388 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc1-2 ZINC000587035398 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)ccc2s1 ZINC000587035401 KK Annotated Mild O=C(N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035412 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035416 KK Annotated Anodyne Cc1nccc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587035430 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035434 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035441 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035442 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035467 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H]4OCCc5ccsc54)[nH]c3cc21 ZINC000587035470 KK Annotated Anodyne O=C(N[C@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035474 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3cc21 ZINC000587035481 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035484 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035491 KK Annotated Bother CC(C)CCOc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587035494 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035503 KK Annotated Bother CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@H](Cc5csc6ccccc56)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587035518 KK Annotated Anodyne COc1ccc2nc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)sc2c1 ZINC000587035520 KK Annotated Bother CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587035526 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587035528 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587035530 KK Annotated Anodyne NNC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035532 KK Annotated Reactive O=C(N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035535 KK Annotated Anodyne CCCOc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587035540 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035543 KK Annotated Bother CC(C)Oc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587035547 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035548 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)c4cc5c(s4)CCC5)[nH]c3cc21 ZINC000587035571 KK Annotated Clean CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587035578 KK Annotated Anodyne CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587035581 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)ccc2s1 ZINC000587035590 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(OC(C)C)c(Br)cc4[nH]3)ccc2s1 ZINC000587035656 KK Annotated Anodyne CCCCCCCCOc1cc2nc(COCC(=O)Nc3ccc4sc(C(=O)OCC)cc4c3)[nH]c2cc1Br ZINC000587035659 KK Annotated Mild CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)ccc2s1 ZINC000587035678 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(F)cc(Br)c4[nH]3)ccc2s1 ZINC000587035696 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c3c2)cc1 ZINC000587035724 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587035727 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(Br)cc(Cl)c4[nH]3)ccc2s1 ZINC000587035729 KK Annotated Anodyne COc1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035730 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587035737 KK Annotated Clean O=C(N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035744 KK Annotated Anodyne CS(=O)(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587035749 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4csc5c4CN(C(=O)OC(C)(C)C)CC5)[nH]c3cc21 ZINC000587035754 KK Annotated Anodyne CCOC(=O)c1cc2cc(NC(=O)COCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)ccc2s1 ZINC000587035759 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc3ccccc3cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035760 KK Annotated Anodyne O=C(N[C@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035784 KK Annotated Anodyne O=C1CCc2cc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc2N1 ZINC000587035785 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035792 KK Annotated Bother O=C(N[C@H](Cc1nc2c(S)nc(S)nc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035793 KK Annotated Anodyne Nc1nccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035794 KK Annotated Anodyne O=C(N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035795 KK Annotated Bother CN1CCN(c2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000587035797 KK Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587035801 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035808 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035811 KK Annotated Anodyne O=C(N[C@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035816 KK Annotated Anodyne Cc1c(Br)cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587035818 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035820 KK Annotated Anodyne Cc1cc(Br)cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035830 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Br)c(O)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035832 KK Annotated Anodyne O=C(N[C@H](Cc1nc2ccc(Cl)nc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587035836 KK Annotated Anodyne Cc1c(Cl)ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587035839 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](Cc4csc5ccccc45)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587035841 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587035852 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587035857 KK Annotated Mild Cc1cc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587035864 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035865 KK Annotated Bother COC(=O)c1cc2[nH]c(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587035869 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3nc4ccc(OC)cc4s3)nc21 ZINC000587035884 KK Annotated Clean O=[N+]([O-])c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035887 KK Annotated Bother CCCCOc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587035888 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035903 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3OCCc4ccsc43)[nH]c21 ZINC000587035904 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3OCCc4ccsc43)[nH]c21 ZINC000587035905 KK Annotated Clean CCCCCOc1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587035924 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587035983 KK Annotated Bother COc1ccc2nc(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)sc2c1 ZINC000587036027 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(s4)CCC5)nc3cc21 ZINC000587036504 KK Annotated Clean O=C(O)c1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587036592 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587036593 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc5c(s4)CCC5)nc3cc21 ZINC000587036637 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc21 ZINC000587036664 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc21 ZINC000587036665 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc4c(s3)CCC4)nc21 ZINC000587036703 KK Annotated Clean O=[N+]([O-])c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036808 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036865 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Br)c[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587036922 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Br)c[nH]c-6n5)cc4)nc(O)c23)C1 ZINC000587036925 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587036927 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nccc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587036930 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(C)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587036934 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(C)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587036937 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036983 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587036990 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587036996 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587036997 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(I)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037000 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(OC(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037027 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(OC(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037038 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OCC(C)C)c(Br)cc5[nH]4)c23)cc1 ZINC000587037040 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037065 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037071 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037073 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CSc3ncnc4scc(-c5ccc(C)cc5)c34)nc2c1 ZINC000587037080 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c21 ZINC000587037105 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037114 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037131 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)cc5[nH]4)c23)cc1 ZINC000587037132 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037158 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(-c7nc8ccccc8s7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037185 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(-c7nc8ccccc8s7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037190 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037191 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037193 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037199 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037200 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037202 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Sc6nc7ccccc7s6)c([N+](=O)[O-])c5)[nH]c4c3)o2)cc1 ZINC000587037204 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)C(F)(F)F)cc5[nH]4)c23)cc1 ZINC000587037209 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cccc(I)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037212 KK Annotated Bother CN1CCN(c2ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3c2)CC1 ZINC000587037213 KK Annotated Bother CCCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)nc2cc1Br ZINC000587037218 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)nc2cc1Br ZINC000587037219 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037224 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c21 ZINC000587037225 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c21 ZINC000587037227 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7c(ccc6[nH]5)C5(OC7=O)c6ccc(N(CC)CC)cc6Oc6cc(N(CC)CC)ccc65)cc4)nc(O)c23)C1 ZINC000587037239 KK Annotated Clean CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037243 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7c(ccc6[nH]5)C5(OC7=O)c6ccc(N(CC)CC)cc6Oc6cc(N(CC)CC)ccc65)cc4)nc(O)c23)C1 ZINC000587037244 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037246 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)c(F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037247 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)c(F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037249 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(Nc7ccccc7)c(C(=O)OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037253 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(Nc7ccccc7)c(C(=O)OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037256 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)ccc1Sc1nc2ccccc2s1 ZINC000587037257 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)nc2cc1Br ZINC000587037269 KK Annotated Mild CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037273 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037274 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)Nc6c(C)n(C)n(-c7ccccc7)c6=O)cc5[nH]4)c23)cc1 ZINC000587037275 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037276 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)nc2cc1Br ZINC000587037277 KK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7ccccc7c7ccccc7c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037278 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C(=O)O)c(-c7c8ccc(=O)cc-8oc8cc(O)ccc78)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037280 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C(=O)O)c(-c7c8ccc(=O)cc-8oc8cc(O)ccc78)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037281 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OCc7ccccc7)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037284 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OCc7ccccc7)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037285 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(=O)(=O)Nc7cccc(C(F)(F)F)c7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037303 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(=O)(=O)Nc7cccc(C(F)(F)F)c7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037304 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)NC(=O)c5cc6c(C)nn(C)c6s5)[nH]c4c3)o2)cc1 ZINC000587037311 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)NC(=O)c5cc6c(C)nn(C)c6s5)[nH]c4c3)o2)cc1 ZINC000587037312 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037318 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037321 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Br)c(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037384 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Br)c(Cl)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037387 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587037405 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587037408 KK Annotated Mild Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)c23)cc1 ZINC000587037429 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(=O)O)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037452 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(=O)O)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037454 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1Br ZINC000587037461 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3ncnc4scc(-c5ccc(C)cc5)c34)nc2c1 ZINC000587037464 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)nc2c1 ZINC000587037465 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)nc2c1 ZINC000587037473 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)nc(C(F)(F)F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037477 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Cl)nc(C(F)(F)F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037481 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(-n7cccn7)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037493 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(-n7cccn7)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037512 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037530 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037531 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)c(C(=O)OC)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037537 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC)c(C(=O)OC)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037538 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037545 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(F)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037546 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(I)c5[nH]4)c23)cc1 ZINC000587037548 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5ncnc6scc(-c7ccc(C)cc7)c56)[nH]c4c3)o2)cc1 ZINC000587037553 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc1Sc1nc2ccccc2s1 ZINC000587037556 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(Br)c(F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037562 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3cc21 ZINC000587037568 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3cc21 ZINC000587037569 KK Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c23)cc1 ZINC000587037570 KK Annotated Reactive Nc1ccc(-c2ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3c2)cc1N ZINC000587037576 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7c(ccc6[nH]5)C(=O)c5ccccc5C7=O)cc4)nc(O)c23)C1 ZINC000587037584 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7c(ccc6[nH]5)C(=O)c5ccccc5C7=O)cc4)nc(O)c23)C1 ZINC000587037585 KK Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)c(Br)cc5[nH]4)c23)cc1 ZINC000587037588 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037602 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)nccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037603 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587037608 KK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc12 ZINC000587037619 KK Annotated Reactive Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc12 ZINC000587037620 KK Annotated Reactive Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cc12 ZINC000587037631 KK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)cc12 ZINC000587037632 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037635 KK Annotated Bother O=C(c1ccccc1)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587037643 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c(F)cnc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037644 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cc(I)cnc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037646 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5[nH]c(-c6nn(Cc7ccccc7F)c7ncccc67)nc(N)c-5n4)c23)cc1 ZINC000587037659 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3c2)cc1 ZINC000587037677 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(C(F)(F)C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037689 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cnc(C(F)(F)C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037702 KK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc12 ZINC000587037709 KK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc12 ZINC000587037713 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037720 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037721 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037737 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037739 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3SCCc4sccc43)[nH]c21 ZINC000587037752 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3SCCc4sccc43)[nH]c21 ZINC000587037755 KK Annotated Clean CC1=C(c2ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3c2)NNC(=O)C1 ZINC000587037758 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OCCC(C)C)c(Br)cc5[nH]4)c23)cc1 ZINC000587037760 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(C(=O)OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037776 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(C(=O)OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037777 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7nc8ccccc8nc7cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037778 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7nc8ccccc8nc7cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037781 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(I)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037791 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(I)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037798 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037819 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037824 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587037839 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4SCCc5sccc54)[nH]c3cc21 ZINC000587037849 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OC(C)C)c(Br)cc5[nH]4)c23)cc1 ZINC000587037850 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)ncc(F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037851 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)ncc(F)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037852 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc(C(=O)O)c5[nH]4)c23)cc1 ZINC000587037853 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4SCCc5sccc54)[nH]c3cc21 ZINC000587037854 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)c(F)c(F)c5[nH]4)c23)cc1 ZINC000587037855 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(OC(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037869 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(OC(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037870 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)c23)cc1 ZINC000587037871 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)ncc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037883 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)ncc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587037887 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(=O)(=O)N7CCOCC7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037908 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(=O)(=O)N7CCOCC7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037909 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037911 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037912 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587037917 KK Annotated Reactive COC(=O)c1cc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587037940 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037953 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587037955 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc1-2 ZINC000587037966 KK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc12 ZINC000587038010 KK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc12 ZINC000587038013 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c12 ZINC000587038027 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038037 KK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038040 KK Annotated Mild Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc12 ZINC000587038041 KK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc12 ZINC000587038044 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038059 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(C)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038060 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Br)c(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038065 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Br)c(C)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038066 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c21 ZINC000587038067 KK Annotated Clean CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587038070 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038073 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038074 KK Annotated Bother CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587038114 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)c23)cc1 ZINC000587038121 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c23)cc1 ZINC000587038131 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587038144 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038147 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038148 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)Nc6ccc(Cl)cc6)cc5[nH]4)c23)cc1 ZINC000587038152 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038165 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038166 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)c23)cc1 ZINC000587038168 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)Nc6ccccc6Cl)cc5[nH]4)c23)cc1 ZINC000587038174 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(S(=O)(=O)N(C)C)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038178 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(S(=O)(=O)N(C)C)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038179 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6[nH]c(O)nc(NCc7ccccc7)c-6n5)cc4)nc(O)c23)C1 ZINC000587038185 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6[nH]c(O)nc(NCc7ccccc7)c-6n5)cc4)nc(O)c23)C1 ZINC000587038187 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OC(F)(F)F)c(Cl)cc5[nH]4)c23)cc1 ZINC000587038194 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(Br)cnc(Cl)c5[nH]4)c23)cc1 ZINC000587038207 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587038209 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4ncnc5scc(-c6ccc(C)cc6)c45)[nH]c3cc21 ZINC000587038212 KK Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5cccc(C(=O)Nc6ccc(F)c(C(F)(F)F)c6)c5[nH]4)c23)cc1 ZINC000587038225 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)c23)cc1 ZINC000587038237 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038238 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c7cccnc7c7ncccc7c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038239 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)c23)cc1 ZINC000587038267 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038272 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Cl)c(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038275 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(Br)ccc(Br)c5[nH]4)c23)cc1 ZINC000587038286 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038323 KK Annotated Bother CCCCCOc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587038336 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Br ZINC000587038337 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587038342 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C(=O)OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038357 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C(=O)OC)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038358 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038365 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038368 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038369 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OC(C)C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038386 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OC(C)C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038389 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038405 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038409 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038410 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038411 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(F)c(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038420 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038442 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038447 KK Annotated Anodyne CC[C@@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(Cl)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 ZINC000587038515 KK Annotated Clean CC[C@H]1CCC2=c3c(nc(-c4ccc(-c5nc6cc(Cl)c([N+](=O)[O-])cc6[nH]5)cc4)[nH]c3=O)=S=C2C1 ZINC000587038516 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC(F)(F)F)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038519 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC(F)(F)F)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038520 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)C(=O)OC75c6ccc(N(CC)CC)cc6Oc6cc(N(CC)CC)ccc65)cc4)nc(O)c23)C1 ZINC000587038525 KK Annotated Clean CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)C(=O)OC75c6ccc(N(CC)CC)cc6Oc6cc(N(CC)CC)ccc65)cc4)nc(O)c23)C1 ZINC000587038526 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(I)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038527 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(I)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038529 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038530 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(F)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038532 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)C(=O)OC75c6ccc(OC(C)=O)cc6Oc6cc(OC(C)=O)ccc65)cc4)nc(O)c23)C1 ZINC000587038554 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)C(=O)OC75c6ccc(OC(C)=O)cc6Oc6cc(OC(C)=O)ccc65)cc4)nc(O)c23)C1 ZINC000587038556 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)c23)cc1 ZINC000587038571 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)c23)cc1 ZINC000587038598 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(=O)(=O)Nc6cccc(C(F)(F)F)c6)cc5[nH]4)c23)cc1 ZINC000587038617 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5[nH]c(O)nc(NCc6ccccc6)c-5n4)c23)cc1 ZINC000587038645 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4nnsc4NC(=O)OC(C)(C)C)nc3cc21 ZINC000587038677 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587038681 KK Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)c23)cc1 ZINC000587038733 KK Annotated Bother Brc1cnc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 ZINC000587038769 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Cl)cc(Br)c5[nH]4)c23)cc1 ZINC000587038771 KK Annotated Anodyne O=C(O)c1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587038778 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C(F)(F)F)c(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038783 KK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C(F)(F)F)c(C#N)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038790 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3cc21 ZINC000587038804 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3cc21 ZINC000587038824 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038840 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(Cl)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038841 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038842 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c([N+](=O)[O-])cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038843 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038846 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038847 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OCC(C)C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038848 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OCC(C)C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038849 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038853 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cncc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038855 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587038856 KK Annotated Bother O=[N+]([O-])c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038866 KK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc1 ZINC000587038924 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)cc1 ZINC000587038929 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)ccc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038966 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)ccc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038967 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038975 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038979 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587038981 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587038993 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038996 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)ncc(Br)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587038998 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)nc2cc1Br ZINC000587039001 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)nc2cc1Br ZINC000587039003 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587039006 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc5nccn45)[nH]c3cc21 ZINC000587039032 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587039091 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)cc1 ZINC000587039097 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCN3c4ccccc4Sc4ccccc43)[nH]c21 ZINC000587039160 KK Annotated Clean CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587039192 KK Annotated Bother Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(C(=O)Nc6ccc(CCN7CCN(C)CC7)cc6)cc5[nH]4)c23)cc1 ZINC000587039242 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587039252 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 ZINC000587039255 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587039257 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 ZINC000587039259 KK Annotated Reactive Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)c23)cc1 ZINC000587039270 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039295 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cc(F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039296 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(I)cnc5[nH]4)c23)cc1 ZINC000587039311 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(I)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039313 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6ncc(I)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039318 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3cc21 ZINC000587039319 KK Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)c23)cc1 ZINC000587039320 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(CN7CCOCC7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039324 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(CN7CCOCC7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039326 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OC(F)(F)O7)cc4)nc(O)c23)C1 ZINC000587039330 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc7c(cc6[nH]5)OC(F)(F)O7)cc4)nc(O)c23)C1 ZINC000587039331 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039332 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039333 KK Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)C1=O ZINC000587039355 KK Annotated Mild C=CCN1C(=O)S[C@@H](Cc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)C1=O ZINC000587039361 KK Annotated Mild O=[N+]([O-])c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039365 KK Annotated Reactive Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cc12 ZINC000587039395 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(Cl)c(Br)cnc5[nH]4)c23)cc1 ZINC000587039403 KK Annotated Anodyne Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cc12 ZINC000587039406 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c21 ZINC000587039428 KK Annotated Clean Cc1ccc(-c2csc3ncnc(SCc4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)c23)cc1 ZINC000587039431 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(F)cc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039432 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1Br ZINC000587039437 KK Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039448 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(SC(F)(F)F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039460 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587039471 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(SC(F)(F)F)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039474 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000587039482 KK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc12 ZINC000587039490 KK Annotated Bother Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc12 ZINC000587039500 KK Annotated Bother CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OCc7ccccc7)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039505 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc6c(c5[nH]4)C(=O)c4ccccc4C6=O)c23)cc1 ZINC000587039508 KK Annotated Clean CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OCc7ccccc7)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039510 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Sc5nc6ccccc6s5)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587039516 KK Annotated Clean CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039526 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(O)c(Br)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039527 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587039564 KK Annotated Mild O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039600 KK Annotated Bother CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OCCC(C)C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039604 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)c23)cc1 ZINC000587039614 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OCCC(C)C)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039615 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C7=C(C)CC(=O)NN7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039617 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(C7=C(C)CC(=O)NN7)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587039625 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587039630 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4ncnc5scc(-c6ccc(C)cc6)c45)[nH]c3c2)cc1 ZINC000587039655 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)[nH]c2c1 ZINC000587039660 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)[nH]c2c1 ZINC000587039662 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@@H](CC)CC6)cc3)nc2cc1Br ZINC000587039668 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(-c4nc(O)c5c6c(sc5n4)C[C@H](CC)CC6)cc3)nc2cc1Br ZINC000587039669 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Sc1nc2ccccc2s1 ZINC000587039687 KK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587039690 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587039691 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4nnsc4NC(=O)OC(C)(C)C)nc3cc21 ZINC000587039802 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587039853 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587039858 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc21 ZINC000587039912 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587039931 KK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(=O)(=O)Nc7c(C)n(C)n(-c8ccccc8)c7=O)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040017 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(=O)(=O)Nc7c(C)n(C)n(-c8ccccc8)c7=O)ccc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040019 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587040027 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(S(F)(F)(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040063 KK Annotated Reactive C=CCN1C(=O)S[C@@H](Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)C1=O ZINC000587040081 KK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(S(F)(F)(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040082 KK Annotated Reactive CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(-c7nn(Cc8ccccc8F)c8ncccc78)nc(N)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040083 KK Annotated Anodyne C=CCN1C(=O)S[C@H](Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)C1=O ZINC000587040084 KK Annotated Mild CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6nc(-c7nn(Cc8ccccc8F)c8ncccc78)nc(N)c6[nH]5)cc4)nc(O)c23)C1 ZINC000587040090 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587040118 KK Annotated Reactive Cc1ccc(-c2csc3ncnc(SCc4nc5c(Br)cnc(Br)c5[nH]4)c23)cc1 ZINC000587040128 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC(F)(F)F)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040133 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(OC(F)(F)F)cc(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040135 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(I)cc5[nH]4)c23)cc1 ZINC000587040136 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040139 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(F)c(Br)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040140 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040143 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(C(F)(F)F)cc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040145 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c21 ZINC000587040153 KK Annotated Clean CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587040154 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587040156 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4ncnc5scc(-c6ccc(C)cc6)c45)[nH]c3c2)cc1 ZINC000587040176 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OC(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040182 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(Br)c(OC(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040184 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4ncnc5scc(-c6ccc(C)cc6)c45)[nH]c3cc21 ZINC000587040195 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 ZINC000587040199 KK Annotated Anodyne CCCOc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1Br ZINC000587040217 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2c1 ZINC000587040226 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccccc3C3SCCS3)[nH]c21 ZINC000587040300 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccccc4C4SCCS4)[nH]c3cc21 ZINC000587040315 KK Annotated Anodyne CCCCOc1cc2nc(CSc3ncnc4scc(-c5ccc(C)cc5)c34)[nH]c2cc1Br ZINC000587040317 KK Annotated Anodyne CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040372 KK Annotated Anodyne CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Cl)cc(C(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 ZINC000587040373 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5cc(Br)cc(Cl)c5[nH]4)c23)cc1 ZINC000587040397 KK Annotated Anodyne Cc1ccc(-c2csc3ncnc(SCc4nc5c(I)cnc(Cl)c5[nH]4)c23)cc1 ZINC000587040414 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587040448 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc4nccn34)[nH]c21 ZINC000587040456 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1Br ZINC000587040477 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040499 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040500 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040501 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c21 ZINC000587040502 KK Annotated Clean CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587040537 KK Annotated Reactive Brc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587040544 KK Annotated Anodyne Brc1cc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2cc1OCc1ccccc1 ZINC000587040582 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000587040652 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)cc1 ZINC000587040653 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587040666 KK Annotated Mild CC(C)CCOc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587040670 KK Annotated Anodyne Clc1ncc(I)c2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 ZINC000587040696 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587040700 KK Annotated Reactive CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587040703 KK Annotated Reactive O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 ZINC000587040768 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3csc4nccn34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587040847 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc5nccn45)[nH]c3cc21 ZINC000587040894 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587040919 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587040920 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587040921 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Br ZINC000587040922 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CSCN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587040994 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 ZINC000587041014 KK Annotated Anodyne COC(=O)c1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587041020 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCN3c4ccccc4Sc4ccccc43)nc1-2 ZINC000587041041 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 ZINC000587041066 KK Annotated Anodyne CCCCCOc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587041073 KK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587041092 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCN5c6ccccc6Sc6ccccc65)[nH]c4c3)o2)cc1 ZINC000587041132 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(COc3ccccc3C3SCCS3)nc1-2 ZINC000587041237 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Cc5ccccc5S4)[nH]c3cc21 ZINC000587041266 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4Cc5ccccc5S4)[nH]c3cc21 ZINC000587041274 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3Cc4ccccc4S3)[nH]c21 ZINC000587041381 KK Annotated Clean CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587041387 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCN4c5ccccc5Sc5ccccc54)[nH]c3cc21 ZINC000587041389 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Cc4ccccc4S3)[nH]c21 ZINC000587041395 KK Annotated Clean CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587041400 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587041439 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587041447 KK Annotated Anodyne CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587041517 KK Annotated Bother CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587041526 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1Br ZINC000587041582 KK Annotated Anodyne Brc1cc2[nH]c(COc3ccccc3C3SCCS3)nc2cc1OCc1ccccc1 ZINC000587041606 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587041616 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 ZINC000587041623 KK Annotated Reactive CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587041735 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587041737 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587041791 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587041796 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587041799 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587041800 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587041841 KK Annotated Clean O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587041845 KK Annotated Reactive CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587041846 KK Annotated Clean O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587041858 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041915 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041916 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041917 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 ZINC000587041918 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H]5Sc6ccc(Cl)cc6NC5=O)[nH]c4c3)o2)cc1 ZINC000587042046 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H]5Sc6ccc(Cl)cc6NC5=O)[nH]c4c3)o2)cc1 ZINC000587042047 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3Cc4ccccc4S3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042057 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3Cc4ccccc4S3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042058 KK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587042062 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587042063 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Cc5ccccc5S4)[nH]c3cc21 ZINC000587042104 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4Cc5ccccc5S4)[nH]c3cc21 ZINC000587042109 KK Annotated Clean CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587042223 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587042226 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042301 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587042305 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COc5ccccc5C5SCCS5)[nH]c4c3)o2)cc1 ZINC000587042327 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccccc4C4SCCS4)[nH]c3cc21 ZINC000587042389 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c3cc21 ZINC000587042536 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c3cc21 ZINC000587042537 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587042538 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587042539 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587042558 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587042559 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587042564 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587042565 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c21 ZINC000587042594 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c21 ZINC000587042595 KK Annotated Clean O=C(O)c1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042615 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042616 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042617 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042618 KK Annotated Bother CCCCCCCCOc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1Br ZINC000587042626 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3cc21 ZINC000587042871 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3cc21 ZINC000587042872 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042897 KK Annotated Bother O=C(O)c1cc2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587042899 KK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587042930 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587042931 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043014 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043017 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043019 KK Annotated Clean CCCCOc1cc2nc([C@@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000587043021 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3CSCN3C(=O)c3ccc(OCC)cc3)[nH]c2cc1Br ZINC000587043022 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043023 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c21 ZINC000587043186 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c21 ZINC000587043187 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1 ZINC000587043253 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043340 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043343 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CS[C@@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043345 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CS[C@H](Cc5ccccc5)N4)[nH]c3cc21 ZINC000587043350 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587043351 KK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587043353 KK Annotated Bother CCCCCCCCOc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043580 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1Br ZINC000587043581 KK Annotated Mild CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587043654 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587043655 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4c(c3)NC(=O)CS4)[nH]c21 ZINC000587043729 KK Annotated Clean O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587043785 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587043786 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587043817 KK Annotated Anodyne O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587043820 KK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587043952 KK Annotated Bother CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587043953 KK Annotated Bother CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587043958 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587043959 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000587044002 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)cc1 ZINC000587044003 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3cc21 ZINC000587044084 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3cc21 ZINC000587044085 KK Annotated Clean O=C1CSc2ccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2N1 ZINC000587044137 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 ZINC000587044214 KK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587044236 KK Annotated Anodyne CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587044237 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CSCN4C(=O)C(C)(C)C)[nH]c3cc21 ZINC000587044240 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CSCN4C(=O)C(C)(C)C)[nH]c3cc21 ZINC000587044241 KK Annotated Clean CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587044266 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587044267 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587044272 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587044273 KK Annotated Anodyne CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587044302 KK Annotated Clean CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587044303 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CSCC(=O)N4)[nH]c3cc21 ZINC000587044335 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CSCC(=O)N4)[nH]c3cc21 ZINC000587044336 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3cc21 ZINC000587044341 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587044346 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CSCC(=O)N3)[nH]c21 ZINC000587044351 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CSCC(=O)N3)[nH]c21 ZINC000587044352 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c21 ZINC000587044447 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3cc21 ZINC000587044453 KK Annotated Clean COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587044483 KK Annotated Anodyne COc1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587044521 KK Annotated Anodyne O=C1CSc2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2N1 ZINC000587044582 KK Annotated Bother COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587044612 KK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587044638 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587044670 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(OC)c(Cl)cc(Cl)c4OC)[nH]c3cc21 ZINC000587044679 KK Annotated Clean COc1c(Cl)cc(Cl)c(OC)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587044686 KK Annotated Anodyne COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587044690 KK Annotated Reactive COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587044729 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cc1Br ZINC000587044879 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[nH]c3cc21 ZINC000587044982 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c21 ZINC000587045013 KK Annotated Clean N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587045073 KK Annotated Reactive N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587045423 KK Annotated Reactive CCCCCCCCOc1cc2nc(CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[nH]c2cc1Br ZINC000587045485 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)c(O)c(OC)c4)[nH]c3cc21 ZINC000587045659 KK Annotated Clean COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(Cl)c1OCC(C)C ZINC000587045661 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045679 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045680 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3cc21 ZINC000587045686 KK Annotated Clean COc1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045693 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045694 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587045721 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587045725 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)c(OCC(C)C)c(OC)c5)[nH]c4c3)o2)cc1 ZINC000587045852 KK Annotated Anodyne COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Cl)c1O ZINC000587045864 KK Annotated Bother CCCCOc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587045910 KK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587045913 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587045918 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587045922 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587045928 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587045932 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045937 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045939 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587045940 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587045942 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587045943 KK Annotated Anodyne Cc1c(F)ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587045945 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045957 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045959 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587045961 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587045962 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587045963 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587045964 KK Annotated Mild COc1cc(/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045969 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045970 KK Annotated Anodyne Cc1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587045971 KK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587045972 KK Annotated Anodyne Cc1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587045973 KK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587045974 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587045983 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587045984 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045985 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587045986 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587045989 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587045990 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](Cc5ccc(OCc6c(Cl)cccc6Cl)cc5)NC(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000587045993 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](Cc5ccc(OCc6c(Cl)cccc6Cl)cc5)NC(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000587045994 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587045999 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587046000 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587046011 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587046012 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587046020 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587046021 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587046022 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587046024 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587046025 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587046026 KK Annotated Anodyne O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587046030 KK Annotated Reactive COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046036 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046038 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587046040 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587046041 KK Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(Cl)c1O ZINC000587046141 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c21 ZINC000587046181 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587046244 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587046246 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(Cl)c1OCC(C)C ZINC000587046247 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(Cl)c1OCC(C)C ZINC000587046251 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587046260 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587046262 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000587046264 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnnc(O)c2[nH]1 ZINC000587046267 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587046280 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587046281 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587046284 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587046285 KK Annotated Mild Cc1cncc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046286 KK Annotated Anodyne Cc1cncc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046287 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046294 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046295 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587046296 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587046297 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587046304 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587046305 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587046314 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587046315 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587046322 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587046323 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000587046326 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)ncnc2[nH]1 ZINC000587046327 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587046328 KK Annotated Bother Cc1cc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587046329 KK Annotated Bother COc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046332 KK Annotated Reactive COc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046333 KK Annotated Reactive COC(=O)c1cccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046338 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046339 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587046342 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587046343 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587046348 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587046349 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c21 ZINC000587046350 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c21 ZINC000587046351 KK Annotated Clean COc1cc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046389 KK Annotated Anodyne COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046404 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587046432 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)nc2c1 ZINC000587046433 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587046438 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cc1Br ZINC000587046439 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046458 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046459 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnncc2[nH]1 ZINC000587046462 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cnncc2[nH]1 ZINC000587046463 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587046464 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587046465 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587046468 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587046469 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046474 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046475 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046478 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046479 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587046482 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587046483 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587046492 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587046493 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587046508 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587046509 KK Annotated Anodyne COc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587046510 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587046511 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046516 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046517 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587046518 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2cc1OC ZINC000587046519 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046520 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046521 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587046524 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587046525 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587046536 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587046537 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587046552 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587046553 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)c(O)c(OC)c3)[nH]c21 ZINC000587046558 KK Annotated Clean COc1cc(/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046564 KK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046565 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046577 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046578 KK Annotated Anodyne COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046600 KK Annotated Reactive COc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Cl)c1OCC(C)C ZINC000587046624 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046632 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046633 KK Annotated Anodyne Cc1ccnc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046656 KK Annotated Anodyne Cc1ccnc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046657 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587046666 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587046667 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587046668 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587046669 KK Annotated Bother COc1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587046680 KK Annotated Anodyne COc1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587046681 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046682 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046683 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587046690 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587046691 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587046698 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587046699 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587046706 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587046707 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587046718 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587046719 KK Annotated Reactive COc1cc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046720 KK Annotated Bother COc1cc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587046721 KK Annotated Bother CCCCCOc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587046722 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587046723 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046724 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587046725 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587046726 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587046727 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587046730 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587046731 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000587046732 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(N)ncc2[nH]1 ZINC000587046733 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587046734 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587046735 KK Annotated Bother Cc1c(Br)cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587046736 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1C ZINC000587046737 KK Annotated Anodyne COc1cncc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046742 KK Annotated Anodyne COc1cncc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587046743 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046744 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046745 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587046746 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587046747 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587046748 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587046749 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587046754 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587046755 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000587046756 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(O)c2[nH]1 ZINC000587046757 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccnc2[nH]1 ZINC000587046776 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccnc2[nH]1 ZINC000587046777 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587046778 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587046779 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587046782 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587046783 KK Annotated Bother Cc1cnc(Cl)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046788 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587046789 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587046794 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587046795 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587046800 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587046801 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587046808 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587046809 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587046812 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587046813 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587046814 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587046815 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587046820 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587046821 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587046824 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2n1 ZINC000587046825 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587046830 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587046831 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587046840 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587046841 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587046842 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587046843 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587046844 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587046845 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587046846 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587046847 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587046848 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587046849 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587046866 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587046867 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587046868 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587046869 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cc(Cl)c(OCC(C)C)c(OC)c5)[nH]c4c3)o2)cc1 ZINC000587046870 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cc(Cl)c(OCC(C)C)c(OC)c5)[nH]c4c3)o2)cc1 ZINC000587046871 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587046874 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587046875 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587046876 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587046877 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587046878 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587046879 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587046880 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587046881 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000587046888 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(N)c2[nH]1 ZINC000587046889 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587046890 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587046891 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587046894 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587046895 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587046896 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Cc4ccc(OCc5c(Cl)cccc5Cl)cc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587046897 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587046898 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587046899 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587046904 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587046905 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587046906 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587046907 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3cc21 ZINC000587046912 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3cc21 ZINC000587046913 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587046934 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587046935 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587046936 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587046937 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587046938 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587046939 KK Annotated Anodyne Cc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587046946 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1F ZINC000587046947 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587046948 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587046949 KK Annotated Anodyne COc1cc(/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Cl)c1OCC(C)C ZINC000587046950 KK Annotated Anodyne COc1cc(/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(Cl)c1OCC(C)C ZINC000587046951 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000587046952 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(F)cnc2[nH]1 ZINC000587046953 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587046962 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587046963 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587046972 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587046973 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587046978 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587046979 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587046982 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587046983 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587046986 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587046987 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587046988 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587046989 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587046990 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587046991 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587046994 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587046995 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587046998 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587046999 KK Annotated Anodyne Cc1nccc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587047004 KK Annotated Anodyne Cc1nccc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587047005 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587047006 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587047007 KK Annotated Clean Cc1c(Br)ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047010 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047011 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(O)c2[nH]1 ZINC000587047012 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(O)c2[nH]1 ZINC000587047013 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587047014 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587047015 KK Annotated Anodyne COc1nccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047016 KK Annotated Anodyne COc1nccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047017 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000587047018 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(N)ncnc2[nH]1 ZINC000587047019 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587047030 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587047031 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587047038 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587047039 KK Annotated Mild Cc1c(Br)cnc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587047040 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc12 ZINC000587047041 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587047048 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587047049 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587047085 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587047086 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587047099 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(Cl)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587047100 KK Annotated Clean CC(C)CCOc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587047123 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cncnc2[nH]1 ZINC000587047148 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cncnc2[nH]1 ZINC000587047149 KK Annotated Anodyne C=CCc1cccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047156 KK Annotated Mild C=CCc1cccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047157 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587047162 KK Annotated Bother O=[N+]([O-])c1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Cl ZINC000587047165 KK Annotated Bother O=[N+]([O-])c1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Cl ZINC000587047166 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587047167 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587047171 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587047172 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587047175 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587047177 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587047178 KK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3c2)cc1 ZINC000587047179 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3c2)cc1 ZINC000587047180 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587047183 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587047185 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587047187 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587047188 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 ZINC000587047191 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587047194 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587047196 KK Annotated Anodyne COc1cc(/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047203 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047204 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587047215 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587047216 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587047219 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587047220 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587047223 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587047224 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587047227 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587047228 KK Annotated Anodyne COc1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047235 KK Annotated Anodyne COc1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047236 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047237 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047238 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3c2)cc1 ZINC000587047243 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4cc(Cl)c(OCC(C)C)c(OC)c4)[nH]c3c2)cc1 ZINC000587047244 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047245 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047246 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ncc[nH]c-2n1 ZINC000587047255 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ncc[nH]c-2n1 ZINC000587047256 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587047259 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587047260 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047265 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047266 KK Annotated Anodyne Cc1nc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587047267 KK Annotated Anodyne Cc1nc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2cc1Br ZINC000587047268 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587047316 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587047317 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587047318 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587047319 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c21 ZINC000587047361 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c21 ZINC000587047362 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587047369 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587047370 KK Annotated Anodyne Cc1cccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047371 KK Annotated Anodyne Cc1cccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047372 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587047383 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587047384 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587047385 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587047386 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587047387 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587047388 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587047389 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587047390 KK Annotated Mild CCCOc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047391 KK Annotated Anodyne CCCOc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047392 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587047393 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587047394 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587047397 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587047398 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587047399 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587047400 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587047411 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587047412 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047415 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587047416 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587047423 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587047424 KK Annotated Bother COc1cc(/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047435 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047436 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587047437 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587047438 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587047439 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587047440 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587047441 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587047442 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000587047451 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(N)ccnc2[nH]1 ZINC000587047452 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587047455 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)nc2c(C)n1 ZINC000587047456 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047457 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047458 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587047459 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587047460 KK Annotated Anodyne O=[N+]([O-])c1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587047476 KK Annotated Reactive O=[N+]([O-])c1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl ZINC000587047477 KK Annotated Reactive FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 ZINC000587047504 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c21 ZINC000587047542 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587047569 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587047570 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587047577 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587047578 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047579 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c12 ZINC000587047580 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587047581 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587047582 KK Annotated Anodyne Cc1cc2nc([C@@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047587 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccc(OCc4c(Cl)cccc4Cl)cc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587047588 KK Annotated Anodyne COc1cc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047595 KK Annotated Anodyne COc1cc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047596 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587047599 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587047600 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587047601 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587047602 KK Annotated Anodyne COc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047603 KK Annotated Anodyne COc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc(Cl)c1OCC(C)C ZINC000587047604 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587047609 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587047610 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587047611 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587047612 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587047615 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587047616 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587047631 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587047632 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587047637 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587047638 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587047645 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 ZINC000587047646 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587047649 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587047650 KK Annotated Bother Clc1ccc(-c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)ccc2Cl)cc1 ZINC000587047790 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587047815 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587047842 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587047844 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587047845 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587047853 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587047854 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587047857 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587047876 KK Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587047877 KK Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)c1 ZINC000587047890 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)c1 ZINC000587047891 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587047900 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587047901 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587047902 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587047903 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587047908 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587047919 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587047941 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587047944 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587047949 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587047960 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587047963 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587047964 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 ZINC000587047966 KK Annotated Reactive CCCCCOc1cc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c2cc1Br ZINC000587048024 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048050 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(I)cc3[nH]2)c1 ZINC000587048122 KK Annotated Anodyne CCCCOc1cc2nc(CCC(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587048132 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587048150 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587048159 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1 ZINC000587048183 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)c1 ZINC000587048189 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048274 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048281 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)[nH]c3cc21 ZINC000587048286 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048288 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048289 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587048291 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc1-2 ZINC000587048370 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000587048423 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000587048425 KK Annotated Anodyne CCCOc1cc2nc(CCC(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587048426 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587048435 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587048470 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6cccc(C=O)c6)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000587048488 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 ZINC000587048514 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc1-2 ZINC000587048523 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5cccc(C=O)c5)ccc4Cl)[nH]c3cc21 ZINC000587048533 KK Annotated Clean O=C(O)c1cc2[nH]c(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048548 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587048551 KK Annotated Bother CCCCOc1cc2nc(/C=C\C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587048581 KK Annotated Anodyne CCCCOc1cc2nc(/C=C/C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587048583 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c21 ZINC000587048603 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587048638 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587048646 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587048648 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587048650 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587048686 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587048726 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587048739 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587048740 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587048746 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 ZINC000587048755 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCC(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587048764 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 ZINC000587048766 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)[nH]c3cc21 ZINC000587048813 KK Annotated Clean CCCCCCCCOc1cc2nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048819 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587048821 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)c1 ZINC000587048849 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)c1 ZINC000587048852 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1Br ZINC000587048866 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587048904 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587048905 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587048996 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587049010 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587049025 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587049026 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587049033 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587049035 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587049079 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587049081 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587049083 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc1-2 ZINC000587049108 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc1-2 ZINC000587049117 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587049119 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc1-2 ZINC000587049120 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc1-2 ZINC000587049121 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1 ZINC000587049122 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587049131 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587049136 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587049165 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587049166 KK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587049205 KK Annotated Reactive CCCCOc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587049212 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc1-2 ZINC000587049214 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587049258 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587049260 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-n4cccc4)ccc3Cl)nc1-2 ZINC000587049282 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587049500 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587049502 KK Annotated Anodyne CCCCCOc1cc2nc(CCC(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587049515 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049533 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049535 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049536 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1Br ZINC000587049537 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587049551 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(-c5cc(Cl)ccc5Cl)o4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587049596 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587049599 KK Annotated Anodyne Clc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)o2)c1 ZINC000587049600 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587049604 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc21 ZINC000587049612 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587049621 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587049643 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000587049652 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587049658 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587049661 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587049673 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587049677 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6cccc7ccccc67)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000587049681 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1Br ZINC000587049682 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)c1 ZINC000587049684 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587049694 KK Annotated Anodyne CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587049698 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5cccc6ccccc56)ccc4Cl)[nH]c3cc21 ZINC000587049722 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587049738 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c21 ZINC000587049740 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c12 ZINC000587049775 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587049785 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc1-2 ZINC000587049830 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587049922 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587049993 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587049999 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587050152 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587050184 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587050185 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000587050186 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587050192 KK Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587050198 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587050199 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1 ZINC000587050216 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(I)c3[nH]2)c1 ZINC000587050246 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(I)c3[nH]2)c1 ZINC000587050247 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587050254 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587050302 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000587050307 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1 ZINC000587050313 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c12 ZINC000587050414 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587050417 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587050419 KK Annotated Clean CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 ZINC000587050421 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5cccc6ccccc56)ccc4Cl)[nH]c3cc21 ZINC000587050478 KK Annotated Clean O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c1 ZINC000587050488 KK Annotated Bother COC(=O)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587050499 KK Annotated Anodyne CCCOc1cc2nc(/C=C/C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587050591 KK Annotated Anodyne CCCOc1cc2nc(/C=C\C(=O)Nc3cc(NC(=O)CCC)ccc3Cl)[nH]c2cc1Br ZINC000587050592 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587050608 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587050614 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587050631 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587050652 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1 ZINC000587050653 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587050689 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587050690 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5cc(Cl)ccc5Cl)o4)nc3cc21 ZINC000587050752 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587050773 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587050778 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587050780 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587050781 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 ZINC000587050782 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587050894 KK Annotated Clean CC(C)CCOc1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587050909 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587050911 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587050914 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c21 ZINC000587050917 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 ZINC000587051086 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051137 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051143 KK Annotated Anodyne O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587051160 KK Annotated Anodyne O=c1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051191 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)[nH]c2cc1Br ZINC000587051201 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c2cc1Br ZINC000587051202 KK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587051227 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5cccc(C=O)c5)ccc4Cl)[nH]c3cc21 ZINC000587051233 KK Annotated Anodyne O=c1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051235 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 ZINC000587051258 KK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587051303 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051326 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051327 KK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)c1 ZINC000587051355 KK Annotated Reactive CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587051410 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1 ZINC000587051413 KK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(Cl)c2)c1 ZINC000587051443 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587051456 KK Annotated Mild CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1 ZINC000587051482 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1 ZINC000587051488 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3cc21 ZINC000587051567 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5cc(Cl)ccc5Cl)o4)nc3cc21 ZINC000587051607 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587051626 KK Annotated Bother CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1 ZINC000587051641 KK Annotated Anodyne CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1 ZINC000587051642 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051859 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051860 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051861 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc21 ZINC000587051862 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587051924 KK Annotated Anodyne COc1cccc(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(Cl)c2)c1 ZINC000587051992 KK Annotated Anodyne N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587051997 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Br ZINC000587052090 KK Annotated Mild O=c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052224 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4cccc(OC)c4)cc3Cl)[nH]c21 ZINC000587052310 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c21 ZINC000587052320 KK Annotated Clean CCCOc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052346 KK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052347 KK Annotated Anodyne O=c1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052365 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052426 KK Annotated Anodyne CCc1cc(OCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1Cl ZINC000587052474 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052545 KK Annotated Anodyne O=c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052575 KK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052578 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052579 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052583 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2cc1Br ZINC000587052584 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5cccc(OC)c5)cc4Cl)[nH]c3cc21 ZINC000587052588 KK Annotated Clean COc1cccc(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(Cl)c2)c1 ZINC000587052607 KK Annotated Bother O=c1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587052614 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 ZINC000587052642 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4ccc(O)c(Cl)c4)[nH]c3cc21 ZINC000587052653 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c21 ZINC000587052669 KK Annotated Clean CCc1cc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1Cl ZINC000587052743 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3cc21 ZINC000587052812 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587052828 KK Annotated Bother CCc1cc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1Cl ZINC000587052835 KK Annotated Anodyne CCc1cc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1Cl ZINC000587052886 KK Annotated Bother CCc1cc(OCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1Cl ZINC000587052894 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3cc21 ZINC000587052956 KK Annotated Anodyne CCc1cc(OCc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1Cl ZINC000587052994 KK Annotated Clean Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053059 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053060 KK Annotated Anodyne Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053061 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053062 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053063 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053064 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053065 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587053066 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053067 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587053068 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053069 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587053070 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(F)cnc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053071 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587053072 KK Annotated Clean C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587053073 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587053076 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587053079 KK Annotated Clean C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587053082 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587053083 KK Annotated Clean C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587053084 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587053086 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)cc1 ZINC000587053088 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587053089 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587053090 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587053091 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)cc1 ZINC000587053092 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053094 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053095 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053097 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053100 KK Annotated Anodyne O=c1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053105 KK Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053110 KK Annotated Anodyne O=C(O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053111 KK Annotated Anodyne O=C(O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053113 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587053114 KK Annotated Anodyne O=C(O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053115 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587053117 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053119 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053123 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053125 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053127 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587053133 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587053134 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587053139 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587053142 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587053143 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053144 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587053145 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053147 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053149 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053151 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053153 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053154 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053155 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053156 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587053165 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587053166 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053170 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053174 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053176 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053179 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053182 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053183 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053184 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053186 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587053187 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587053190 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053192 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(S)nc(S)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053193 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587053195 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(S)nc(S)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053196 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587053197 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(S)nc(S)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053198 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587053211 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587053215 KK Annotated Anodyne COc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053217 KK Annotated Anodyne COc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053218 KK Annotated Anodyne COc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053219 KK Annotated Anodyne COc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053220 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053224 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053231 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053232 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053233 KK Annotated Anodyne O=c1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587053240 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053256 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053257 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053258 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053259 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053261 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587053352 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587053353 KK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587053362 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587053363 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)cc1 ZINC000587053364 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)cc1 ZINC000587053365 KK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587053368 KK Annotated Clean C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587053369 KK Annotated Clean O=C1c2ccccc2[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053391 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053392 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053393 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053394 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587053396 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053397 KK Annotated Anodyne CC(C)COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053398 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587053399 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053400 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053401 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587053402 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053404 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053405 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053423 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053426 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053427 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053428 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnc(Cl)[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053431 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnc(Cl)[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053434 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnc(Cl)[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053435 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnc(Cl)[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053436 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053437 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053439 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053440 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053441 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053445 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3cccc(Cl)c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587053453 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053454 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053455 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C\c3cccc(Cl)c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587053456 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc4nc5ccccc5nc4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053459 KK Annotated Bother COC(=O)c1ccnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053460 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053461 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053462 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587053464 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587053471 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587053473 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587053474 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c3cc21 ZINC000587053477 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587053478 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053488 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053490 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587053493 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053495 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587053496 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](NC(=O)c5ccc([N+](=O)[O-])cc5Cl)C(C)C)[nH]c4c3)o2)cc1 ZINC000587053497 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587053498 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053499 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053501 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053503 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)O)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053504 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053506 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](NC(=O)c5ccc([N+](=O)[O-])cc5Cl)C(C)C)[nH]c4c3)o2)cc1 ZINC000587053508 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587053514 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587053515 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053520 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053522 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053524 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053528 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053529 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053530 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587053532 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053545 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053547 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053548 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053550 KK Annotated Reactive C=CCc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053553 KK Annotated Mild C=CCc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053558 KK Annotated Mild C=CCc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053560 KK Annotated Mild C=CCc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053563 KK Annotated Mild Nc1ccc(Oc2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587053571 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587053573 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587053574 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587053575 KK Annotated Clean O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053583 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053588 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053591 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053594 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3cccc(Cl)c3Cl)[nH]c21 ZINC000587053595 KK Annotated Clean O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053597 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3cccc(Cl)c3Cl)[nH]c21 ZINC000587053598 KK Annotated Clean O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053600 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053603 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053606 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053616 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053621 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053622 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(O)cc4Cl)[nH]c3cc21 ZINC000587053623 KK Annotated Clean CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587053742 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587053743 KK Annotated Bother CC(C)Oc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587053763 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053766 KK Annotated Reactive CC(C)Oc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587053767 KK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053769 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587053792 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587053802 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053808 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587053811 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053812 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587053814 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053820 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053823 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587053824 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053826 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053837 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053838 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053840 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053846 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053855 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053857 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3ccc(CO)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053858 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(CO)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053861 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053863 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3ccc(CO)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053865 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(CO)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053869 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053887 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587053889 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587053896 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053898 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053899 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053901 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053905 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587053906 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587053907 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053910 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587053912 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053917 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053921 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053923 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053934 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053936 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053940 KK Annotated Anodyne Cc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587053942 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3ccc(Oc4ccccc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053945 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053948 KK Annotated Anodyne Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587053949 KK Annotated Reactive Cc1cc(Br)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053951 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053952 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053955 KK Annotated Anodyne COc1nccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053971 KK Annotated Anodyne COc1nccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053975 KK Annotated Anodyne COc1nccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053980 KK Annotated Anodyne COc1nccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587053982 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053985 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053986 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053988 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053991 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587053999 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054003 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054007 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054013 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054018 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054023 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054026 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054027 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3cc(Cl)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054029 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4ccccc4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054032 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054035 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054040 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4ccccc4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054042 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4ccccc4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054045 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054051 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054052 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054055 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054058 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)cc1 ZINC000587054060 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054061 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)cc1 ZINC000587054065 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054066 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054074 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054077 KK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587054085 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587054088 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054090 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054092 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054094 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054095 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054096 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054101 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054102 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054105 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054110 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054111 KK Annotated Reactive COC(=O)C1=C(C)NC(C)=C(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)[C@@H]1c1cccc(Cl)c1Cl ZINC000587054113 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)[C@H]1c1cccc(Cl)c1Cl ZINC000587054115 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054116 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054118 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054119 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054120 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054140 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054141 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(I)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054142 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(I)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054143 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054182 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054184 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054185 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054187 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054194 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054196 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(O)cc3Cl)[nH]c21 ZINC000587054236 KK Annotated Clean C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587054293 KK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587054302 KK Annotated Bother N#Cc1nc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2nc1C#N ZINC000587054312 KK Annotated Mild N#Cc1nc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2nc1C#N ZINC000587054320 KK Annotated Mild N#Cc1nc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2nc1C#N ZINC000587054325 KK Annotated Mild N#Cc1nc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2nc1C#N ZINC000587054328 KK Annotated Mild CCCCCCCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587054344 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054348 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587054349 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054351 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)ccnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054354 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)ccnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054357 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 ZINC000587054359 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587054360 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587054361 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 ZINC000587054365 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587054369 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587054374 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054381 KK Annotated Anodyne CC1=C(c2ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)NNC(=O)C1 ZINC000587054387 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054388 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054389 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054390 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587054392 KK Annotated Anodyne CC1=C(c2ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)NNC(=O)C1 ZINC000587054394 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587054403 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587054405 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587054407 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587054408 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587054410 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587054411 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587054413 KK Annotated Anodyne Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587054416 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587054417 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587054418 KK Annotated Bother Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587054420 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587054421 KK Annotated Anodyne Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C ZINC000587054423 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054426 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054427 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054428 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054429 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc4ncccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054430 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc4ncccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054434 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc4ncccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054435 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc4ncccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054436 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)nc3cc2N1 ZINC000587054440 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587054443 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587054444 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)nc3cc2N1 ZINC000587054446 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)nc3cc2N1 ZINC000587054449 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)nc3cc2N1 ZINC000587054450 KK Annotated Anodyne Cc1nc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1Br ZINC000587054453 KK Annotated Anodyne Cc1nc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1Br ZINC000587054458 KK Annotated Anodyne Cc1nc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1Br ZINC000587054460 KK Annotated Anodyne Cc1nc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1Br ZINC000587054462 KK Annotated Anodyne Cc1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c(C)n1 ZINC000587054481 KK Annotated Anodyne Cc1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c(C)n1 ZINC000587054487 KK Annotated Anodyne Cc1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c(C)n1 ZINC000587054489 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Oc5ccc(Oc6ccc(Cl)cc6Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587054490 KK Annotated Anodyne Cc1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c(C)n1 ZINC000587054491 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054492 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054493 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054494 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054495 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c21 ZINC000587054496 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c21 ZINC000587054497 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)Oc5ccc(Oc6ccc(Cl)cc6Cl)cc5)[nH]c4c3)o2)cc1 ZINC000587054498 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587054501 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587054502 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587054507 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587054510 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587054511 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587054512 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054514 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054517 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054518 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054520 KK Annotated Anodyne O=C(O)c1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587054522 KK Annotated Anodyne O=C(O)c1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587054523 KK Annotated Anodyne O=C(O)c1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587054524 KK Annotated Anodyne O=C(O)c1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587054526 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054527 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054528 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054529 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054530 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054531 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054532 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054533 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054534 KK Annotated Anodyne NNC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054542 KK Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054543 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054560 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054563 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054578 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054579 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(F)c(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054611 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(F)c(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054612 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc(I)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054624 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(I)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054626 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587054637 KK Annotated Anodyne FC(F)(F)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587054653 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587054674 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054679 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054682 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(O)cc4Cl)[nH]c3cc21 ZINC000587054684 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054688 KK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587054694 KK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054695 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(Br)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054697 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(Br)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054699 KK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587054703 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054710 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054714 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587054723 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587054742 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587054743 KK Annotated Clean CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587054746 KK Annotated Clean CCCOc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587054749 KK Annotated Bother CCCOc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587054754 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3cc21 ZINC000587054757 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(C#N)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054762 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587054763 KK Annotated Mild FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587054766 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C#N)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054767 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587054777 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587054788 KK Annotated Mild CCCCCOc1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587054791 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2nc(Br)c[nH]c-2n1 ZINC000587054792 KK Annotated Anodyne NNC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054795 KK Annotated Reactive NNC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587054797 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587054801 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587054807 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587054808 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587054811 KK Annotated Clean C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587054812 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587054813 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587054815 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587054817 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587054820 KK Annotated Clean C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587054822 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587054824 KK Annotated Clean Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054825 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587054826 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054829 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587054830 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054836 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054838 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054840 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c21 ZINC000587054847 KK Annotated Clean COC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1OC ZINC000587054848 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c21 ZINC000587054851 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587054852 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1OC ZINC000587054854 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1OC ZINC000587054856 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587054858 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1OC ZINC000587054860 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054867 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054869 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054872 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054874 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587054876 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5c6ccccc6C(=O)N(C6CCCC6)[C@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587054877 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587054878 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587054880 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5c6ccccc6C(=O)N(C6CCCC6)[C@@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587054884 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5c6ccccc6C(=O)N(C6CCCC6)[C@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587054886 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)cc1 ZINC000587054887 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3c2)cc1 ZINC000587054889 KK Annotated Bother CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5c6ccccc6C(=O)N(C6CCCC6)[C@@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587054890 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587054891 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c3cc21 ZINC000587054895 KK Annotated Clean O=C1c2ccccc2[C@@H](c2nc3cccc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054901 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054905 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054906 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054908 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587054916 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587054924 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587054928 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587054929 KK Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2cc1Br ZINC000587054939 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587054942 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054946 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054947 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccnc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054949 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccnc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054950 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587054954 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587054959 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587054965 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587054968 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587054969 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587054970 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587054974 KK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587054975 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587054976 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587054977 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587054979 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587054987 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587054988 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054997 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054998 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587054999 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055000 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055001 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055004 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587055005 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055006 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)c(Br)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055008 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587055009 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587055012 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587055013 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3cc21 ZINC000587055014 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587055016 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055017 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587055018 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1 ZINC000587055019 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055020 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3ccc(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055021 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587055022 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055023 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055024 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055025 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055029 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2cc1OC ZINC000587055030 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055031 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055032 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055034 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055035 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055036 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055038 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055039 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055040 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055041 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055042 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055043 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055054 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055055 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3cc21 ZINC000587055057 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587055063 KK Annotated Reactive Cc1c(Br)cnc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 ZINC000587055070 KK Annotated Reactive Cc1cc(Br)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587055101 KK Annotated Reactive Cc1cc(Br)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587055102 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055107 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055108 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3cc21 ZINC000587055134 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3cc21 ZINC000587055135 KK Annotated Clean Cc1cc(/C=C(\C#N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055147 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055160 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055161 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055165 KK Annotated Reactive Cc1c(Br)cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1C ZINC000587055178 KK Annotated Reactive Cc1c(Br)cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1C ZINC000587055180 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055212 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055214 KK Annotated Reactive COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl ZINC000587055224 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl ZINC000587055225 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055226 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055227 KK Annotated Reactive CC1=C(c2ccc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587055275 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587055277 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3c2)cc1 ZINC000587055289 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587055298 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3cc21 ZINC000587055303 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3cc21 ZINC000587055307 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587055326 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587055345 KK Annotated Bother CC(C)CCOc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587055348 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587055363 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587055377 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587055386 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587055390 KK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587055424 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587055425 KK Annotated Bother CC(C)Oc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587055431 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587055433 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587055436 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587055439 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587055444 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055445 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055447 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055449 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055450 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587055455 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587055456 KK Annotated Anodyne N#Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C(F)(F)F ZINC000587055458 KK Annotated Mild CN(C)CCOc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587055459 KK Annotated Anodyne N#Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C(F)(F)F ZINC000587055462 KK Annotated Mild N#Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C(F)(F)F ZINC000587055464 KK Annotated Mild N#Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C(F)(F)F ZINC000587055466 KK Annotated Mild O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055469 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055471 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587055473 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055474 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055475 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055476 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055481 KK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)o2)c1Cl ZINC000587055483 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055484 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055485 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c(F)c1Nc1ccccc1 ZINC000587055486 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055487 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587055493 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055496 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055497 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587055498 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055501 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587055510 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587055525 KK Annotated Clean O=C1c2ccccc2[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055526 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055531 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055533 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055535 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587055540 KK Annotated Clean C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587055541 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587055548 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055553 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055558 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587055559 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055562 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587055564 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4nc(O)[nH]c4cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055566 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587055568 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055570 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055574 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055578 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)ccnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055582 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587055590 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587055593 KK Annotated Anodyne Nc1nc(O)c2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055594 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587055597 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl ZINC000587055598 KK Annotated Bother Nc1nc(O)c2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055603 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl ZINC000587055604 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587055605 KK Annotated Anodyne Nc1nc(O)c2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055608 KK Annotated Anodyne Nc1nc(O)c2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587055610 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587055612 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587055616 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587055623 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055629 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055635 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055640 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587055646 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587055652 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587055654 KK Annotated Reactive COC(=O)c1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587055660 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587055661 KK Annotated Reactive COC(=O)c1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587055663 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 ZINC000587055664 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587055668 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587055670 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055685 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055686 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055688 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587055689 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055691 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587055693 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587055701 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055708 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055721 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055724 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3c(O)nc(O)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055725 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055727 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587055729 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055730 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055731 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3c(O)nc(O)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055732 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055733 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 ZINC000587055734 KK Annotated Anodyne CCCCOc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587055735 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055738 KK Annotated Reactive CCCCOc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587055740 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587055746 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587055749 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587055753 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587055756 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587055759 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587055763 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055772 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587055773 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055775 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587055776 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055777 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055779 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055782 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cncc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055786 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cncc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055790 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587055793 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 ZINC000587055822 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 ZINC000587055824 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055837 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587055838 KK Annotated Reactive COC(=O)c1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587055861 KK Annotated Bother COC(=O)c1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587055862 KK Annotated Bother COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1OC ZINC000587055866 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3cc21 ZINC000587055880 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3cc21 ZINC000587055882 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c21 ZINC000587055893 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c21 ZINC000587055895 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587055900 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2c1 ZINC000587055901 KK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587055920 KK Annotated Clean C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587055921 KK Annotated Clean C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587055922 KK Annotated Reactive C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587055927 KK Annotated Reactive CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587055961 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587055963 KK Annotated Bother CN(C)S(=O)(=O)c1cccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587055997 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587056005 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587056008 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(S)nc(S)nc2[nH]1 ZINC000587056030 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587056037 KK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587056040 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](N)c3ccccc3Cl)[nH]c21 ZINC000587056080 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](N)c3ccccc3Cl)[nH]c21 ZINC000587056086 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3cccc(Cl)c3Cl)nc1-2 ZINC000587056089 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3cccc(Cl)c3Cl)nc1-2 ZINC000587056093 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587056123 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl ZINC000587056154 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl ZINC000587056155 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056183 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(F)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056189 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056195 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(F)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056197 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587056204 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587056209 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587056210 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587056217 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587056221 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587056244 KK Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 ZINC000587056255 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587056259 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056265 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056267 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587056270 KK Annotated Anodyne Cc1nc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1Br ZINC000587056278 KK Annotated Reactive Cc1nc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1Br ZINC000587056279 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056280 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056284 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587056294 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)ncc2[nH]1 ZINC000587056296 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587056309 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(COc6cccc(Cl)c6Cl)o5)nc4c3)o2)cc1 ZINC000587056315 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587056324 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587056329 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587056333 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c21 ZINC000587056339 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc21 ZINC000587056351 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587056354 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C\c5cc(C)n(-c6cccc(Cl)c6Cl)c5C)[nH]c4c3)o2)cc1 ZINC000587056365 KK Annotated Reactive O=S(=O)(Nc1ccccc1Cl)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587056367 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H](Oc6cccc(Cl)c6Cl)CN5C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587056368 KK Annotated Anodyne CSc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056369 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587056370 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587056371 KK Annotated Reactive CSc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056372 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587056373 KK Annotated Anodyne CSc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056374 KK Annotated Anodyne CSc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056375 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5c6ccccc6C(=O)N(C6CCCC6)[C@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)o2)cc1 ZINC000587056376 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056378 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@H]5c6ccccc6C(=O)N(C6CCCC6)[C@@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)o2)cc1 ZINC000587056379 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5c6ccccc6C(=O)N(C6CCCC6)[C@@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)o2)cc1 ZINC000587056380 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056381 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5c6ccccc6C(=O)N(C6CCCC6)[C@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)o2)cc1 ZINC000587056383 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056385 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056387 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056388 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056391 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056392 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056394 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cn1 ZINC000587056395 KK Annotated Anodyne N#Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056396 KK Annotated Mild CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587056397 KK Annotated Anodyne N#Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056398 KK Annotated Mild N#Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056399 KK Annotated Mild N#Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056400 KK Annotated Mild COc1cncc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056401 KK Annotated Anodyne COc1cncc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056403 KK Annotated Anodyne COc1cncc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056406 KK Annotated Anodyne COc1cncc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056407 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587056416 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3nc(Br)c[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056424 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587056425 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3nc(Br)c[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056426 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3nc(Br)c[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056427 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3nc(Br)c[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056429 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587056430 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056431 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056432 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056434 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056436 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056438 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056439 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056440 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056441 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056443 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056445 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056448 KK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056450 KK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056452 KK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056453 KK Annotated Mild CCCOc1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587056454 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056455 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056456 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587056457 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056458 KK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)o2)c1Cl ZINC000587056459 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056460 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056461 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056462 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056463 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056464 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587056465 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587056466 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056467 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)ncc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056468 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056469 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)ncc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056470 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056479 KK Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056480 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056482 KK Annotated Anodyne Cc1c(F)ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587056483 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056491 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056493 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056494 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056495 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056502 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056506 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056509 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587056511 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587056518 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587056519 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056525 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056526 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056528 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587056531 KK Annotated Anodyne CCc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056535 KK Annotated Anodyne CCc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587056536 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587056545 KK Annotated Anodyne Cc1cc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2cc1[N+](=O)[O-] ZINC000587056552 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587056568 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C/c5cc(C)n(-c6cccc(Cl)c6Cl)c5C)[nH]c4c3)o2)cc1 ZINC000587056578 KK Annotated Reactive CC(C)COc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587056625 KK Annotated Bother CC(C)COc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587056646 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056652 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056668 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587056692 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056703 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056710 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(I)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056712 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(I)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056714 KK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587056718 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587056720 KK Annotated Anodyne CCCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587056721 KK Annotated Reactive CCCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587056724 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3cc21 ZINC000587056749 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[nH]c3cc21 ZINC000587056767 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056769 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587056772 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056776 KK Annotated Reactive CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587056796 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587056800 KK Annotated Bother Cc1c(Br)ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587056821 KK Annotated Reactive Cc1c(Br)ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587056823 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056825 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056826 KK Annotated Reactive COC(=O)c1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587056829 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056835 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056836 KK Annotated Reactive COC(=O)c1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587056837 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587056857 KK Annotated Bother CCCCCOc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587056858 KK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587056869 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587056871 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056882 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056883 KK Annotated Reactive FC(F)(F)Oc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587056914 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587056916 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587056919 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587056920 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587056921 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056922 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056923 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587056924 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587056927 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587056934 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587056937 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587056939 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587056943 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587056947 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587056954 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587056958 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056974 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056975 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056978 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 ZINC000587056980 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587056987 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3cc21 ZINC000587056989 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057003 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057004 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2c1 ZINC000587057020 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587057028 KK Annotated Bother Clc1cccc(OCc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)o2)c1Cl ZINC000587057033 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 ZINC000587057048 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 ZINC000587057053 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057056 KK Annotated Reactive N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccccc1Cl ZINC000587057058 KK Annotated Bother CCc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587057060 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587057061 KK Annotated Anodyne CCc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587057062 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587057063 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057065 KK Annotated Reactive N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccccc1Cl ZINC000587057071 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587057075 KK Annotated Anodyne O=c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587057093 KK Annotated Anodyne N#Cc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587057095 KK Annotated Mild N#Cc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587057101 KK Annotated Mild N#Cc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587057106 KK Annotated Mild N#Cc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587057113 KK Annotated Mild Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057114 KK Annotated Reactive Clc1cccc(OCc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)o2)c1Cl ZINC000587057116 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057119 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057121 KK Annotated Bother Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057123 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057125 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057126 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057127 KK Annotated Reactive O=C1c2ccccc2[C@H](c2nc3c4cccnc4c4ncccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057128 KK Annotated Bother Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587057136 KK Annotated Anodyne Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587057147 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587057148 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587057150 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl ZINC000587057151 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587057156 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057162 KK Annotated Anodyne COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)[C@@H]1c1cccc(Cl)c1Cl ZINC000587057165 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057170 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057174 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057176 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057179 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057182 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057185 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587057187 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cn1 ZINC000587057188 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587057189 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1OC ZINC000587057191 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1OC ZINC000587057193 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587057195 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1OC ZINC000587057198 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1OC ZINC000587057201 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587057205 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057206 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc12 ZINC000587057207 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c3cc21 ZINC000587057221 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057222 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057225 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3cc21 ZINC000587057226 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057230 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057233 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057241 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587057242 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057243 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057245 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cncc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057247 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cncc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057250 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cncc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057252 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cncc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057257 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057262 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057263 KK Annotated Reactive CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5C[C@H](Oc6cccc(Cl)c6Cl)CN5C(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000587057281 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057287 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587057289 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057291 KK Annotated Reactive CCCCCCCCOc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587057294 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587057300 KK Annotated Mild O=C1c2ccccc2[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057302 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057306 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057311 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(F)c(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057314 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c21 ZINC000587057317 KK Annotated Reactive Cc1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587057318 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587057324 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c21 ZINC000587057326 KK Annotated Reactive Cc1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587057327 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587057328 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057330 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057333 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057336 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057338 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057340 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057341 KK Annotated Anodyne O=C1CCc2cc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3cc2N1 ZINC000587057346 KK Annotated Anodyne O=C1CCc2cc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3cc2N1 ZINC000587057349 KK Annotated Anodyne O=C1CCc2cc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3cc2N1 ZINC000587057351 KK Annotated Anodyne O=C1CCc2cc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3cc2N1 ZINC000587057354 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057357 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057363 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057365 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(OC(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057366 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057367 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587057370 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057371 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587057372 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057374 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3ccc([N+](=O)[O-])cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057375 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587057385 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587057392 KK Annotated Mild O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057395 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587057397 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057398 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587057400 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057402 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057403 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587057420 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587057442 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587057443 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3cc21 ZINC000587057450 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)c4ccc([N+](=O)[O-])cc4Cl)C(C)C)[nH]c3cc21 ZINC000587057451 KK Annotated Clean CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587057456 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587057457 KK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587057468 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587057469 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587057487 KK Annotated Bother C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587057488 KK Annotated Bother CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587057489 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587057490 KK Annotated Bother C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587057491 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587057492 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587057518 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587057521 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](O)c4ccccc4Cl)[nH]c3cc21 ZINC000587057545 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)c4ccccc4Cl)[nH]c3cc21 ZINC000587057546 KK Annotated Clean Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057549 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057551 KK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587057562 KK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 ZINC000587057569 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057570 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587057576 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057580 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057582 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057584 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057617 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057624 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587057653 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057657 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057662 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587057668 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587057681 KK Annotated Anodyne CCCCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587057686 KK Annotated Reactive CCCCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587057689 KK Annotated Reactive COC(=O)c1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587057690 KK Annotated Reactive COC(=O)c1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587057695 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587057726 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587057733 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587057740 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587057747 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587057761 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057795 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057797 KK Annotated Reactive CC(C)COc1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587057799 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587057805 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587057811 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587057819 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057828 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587057832 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587057873 KK Annotated Anodyne CCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587057888 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 ZINC000587057889 KK Annotated Reactive CCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br ZINC000587057892 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 ZINC000587057904 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 ZINC000587057905 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3c(Br)ccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057912 KK Annotated Reactive COC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587057913 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3c(Br)ccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057914 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587057917 KK Annotated Anodyne Cc1cc(/C=C(\C#N)c2nc3c(I)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587057919 KK Annotated Reactive Cc1ccc2c(ccc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c32)n1 ZINC000587057928 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587057929 KK Annotated Anodyne Clc1cccc(OCc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)o2)c1Cl ZINC000587057931 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057937 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057938 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587057941 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587057949 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057968 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 ZINC000587057970 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc2cc1Br ZINC000587057973 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)nc12 ZINC000587057975 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587057980 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587057983 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587057985 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2n1 ZINC000587057991 KK Annotated Anodyne Cc1cc(-c2nc3c(Cl)cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058005 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587058024 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587058026 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587058027 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587058043 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587058044 KK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058054 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587058063 KK Annotated Bother CCCCOc1cc2nc([C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C(C)C)[nH]c2cc1Br ZINC000587058064 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058071 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058072 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058073 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058077 KK Annotated Anodyne Cc1cc(-c2nc3ncc(Br)c(Cl)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058083 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058087 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058088 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058090 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058093 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058094 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058095 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058096 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3nc(Cl)c[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058097 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3nc(Cl)c[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058098 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3nc(Cl)c[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058101 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3nc(Cl)c[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058102 KK Annotated Anodyne Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058105 KK Annotated Reactive C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587058107 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587058108 KK Annotated Anodyne Nc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1N ZINC000587058109 KK Annotated Anodyne Nc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1N ZINC000587058115 KK Annotated Anodyne Nc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1N ZINC000587058116 KK Annotated Anodyne Nc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1N ZINC000587058118 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(=O)n(Cc6ccc(Cl)cc6Cl)c5)[nH]c4c3)o2)cc1 ZINC000587058120 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058121 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058122 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058124 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058125 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058126 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058129 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058130 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058133 KK Annotated Anodyne Cc1cc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058138 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058139 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058141 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058144 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058147 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587058149 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587058150 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587058151 KK Annotated Anodyne O=c1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587058153 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587058154 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587058160 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587058171 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058172 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058174 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(COc5cccc(Cl)c5Cl)o4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587058176 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058178 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058179 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587058181 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587058182 KK Annotated Mild C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587058183 KK Annotated Mild O=C1c2ccccc2[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058184 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058185 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058187 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058190 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587058197 KK Annotated Bother Cc1cc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058198 KK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 ZINC000587058201 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058205 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058207 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058209 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058210 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc21 ZINC000587058216 KK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587058217 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587058218 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587058220 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587058224 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058226 KK Annotated Mild Cc1cc(-c2nc3c(Br)cc(Cl)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058227 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058233 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058235 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058237 KK Annotated Mild O=c1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587058247 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc1-2 ZINC000587058250 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058253 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058256 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058257 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058259 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058263 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058264 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058267 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(OC(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058270 KK Annotated Anodyne Cc1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1[N+](=O)[O-] ZINC000587058273 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3c(I)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058287 KK Annotated Reactive Cc1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1[N+](=O)[O-] ZINC000587058295 KK Annotated Bother Cc1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1[N+](=O)[O-] ZINC000587058297 KK Annotated Bother Cc1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1[N+](=O)[O-] ZINC000587058299 KK Annotated Bother COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587058301 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587058305 KK Annotated Anodyne Cc1cc(/C=C(/C#N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058399 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058401 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058402 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058407 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058424 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058427 KK Annotated Reactive Cc1cc(Br)cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587058443 KK Annotated Reactive Cc1cc(Br)cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 ZINC000587058444 KK Annotated Reactive O=C(O)c1cc2[nH]c(CCc3ccccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587058486 KK Annotated Bother Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058518 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058519 KK Annotated Reactive Cc1cc(/C=C(/C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058531 KK Annotated Reactive Cc1cc(/C=C(\C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl ZINC000587058534 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3cc21 ZINC000587058542 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c3cc21 ZINC000587058544 KK Annotated Clean Cc1cc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058556 KK Annotated Anodyne N[C@@H](Cc1ccccc1Cl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587058558 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4cccc(Cl)c4Cl)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587058605 KK Annotated Anodyne Cc1cc(-c2nc3c(Cl)ncc(Br)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058619 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587058672 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058753 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587058776 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587058777 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Cl ZINC000587058779 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058781 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058789 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058791 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058794 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058797 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058799 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058802 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H](Oc5cccc(Cl)c5Cl)CN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587058803 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058806 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058814 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058817 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587058819 KK Annotated Bother O=C(O)c1cc(F)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058821 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058824 KK Annotated Anodyne Cc1cc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058825 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058829 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058832 KK Annotated Reactive CC(C)(C)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058835 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058844 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058849 KK Annotated Anodyne Cc1cc(-c2nc3cc(I)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058850 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058853 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058855 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058856 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058857 KK Annotated Bother Cc1cc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587058858 KK Annotated Bother CCOC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058859 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058860 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058861 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058864 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058866 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058868 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058869 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587058872 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587058875 KK Annotated Anodyne COc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587058882 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587058884 KK Annotated Anodyne COc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587058885 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058893 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058894 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058895 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058896 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1OC ZINC000587058898 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2cc1OC ZINC000587058899 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1OC ZINC000587058900 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2cc1OC ZINC000587058901 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(=O)n(Cc5ccc(Cl)cc5Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587058902 KK Annotated Anodyne N=c1[nH]c2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc-2c(Cl)[nH]1 ZINC000587058903 KK Annotated Anodyne N=c1[nH]c2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc-2c(Cl)[nH]1 ZINC000587058904 KK Annotated Anodyne N=c1[nH]c2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc-2c(Cl)[nH]1 ZINC000587058905 KK Annotated Anodyne N=c1[nH]c2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc-2c(Cl)[nH]1 ZINC000587058906 KK Annotated Anodyne O=c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587058917 KK Annotated Reactive O=C1c2ccccc2[C@@H](c2nc3cc(I)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058921 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(I)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058922 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(I)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058923 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(I)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058924 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058925 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058926 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058927 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058928 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587058929 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587058930 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587058931 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587058932 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587058936 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587058937 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)ncnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058938 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)ncnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058939 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Cl)ncnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058940 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Cl)ncnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587058941 KK Annotated Anodyne NC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058947 KK Annotated Anodyne NC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587058948 KK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059010 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H](O)c3ccccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587059017 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H](O)c3ccccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587059018 KK Annotated Bother Cc1cc(-c2nc3c(Br)ncc(Br)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059019 KK Annotated Anodyne Cc1cc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059045 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(C)nc5c4c(C)nn5Cc4ccccc4Cl)nc3cc21 ZINC000587059076 KK Annotated Clean Cc1cc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059077 KK Annotated Bother Cc1cc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059110 KK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059113 KK Annotated Anodyne Cc1cc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059114 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059116 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4ccccc4Cl)[nH]c3cc21 ZINC000587059130 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3ccccc3Cl)[nH]c21 ZINC000587059141 KK Annotated Clean NC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059149 KK Annotated Anodyne NC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059150 KK Annotated Anodyne COc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059151 KK Annotated Anodyne COc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059152 KK Annotated Anodyne COc1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059153 KK Annotated Anodyne COc1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059154 KK Annotated Anodyne O=c1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl ZINC000587059157 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)CC1 ZINC000587059170 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)CC1 ZINC000587059171 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)CC1 ZINC000587059172 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)CC1 ZINC000587059173 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059174 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059175 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059176 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3c4ccccc4c4ccccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059177 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059178 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059179 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059180 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059181 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059186 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059187 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059188 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059189 KK Annotated Mild O=C1c2ccccc2[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059190 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059191 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059192 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059193 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059194 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059195 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059196 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(Br)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059197 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059198 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059199 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059200 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059201 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059203 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059204 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059205 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059206 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059215 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059216 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059217 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059218 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059219 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059220 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059221 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059222 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059225 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059226 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059227 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059228 KK Annotated Bother CCCOc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587059229 KK Annotated Anodyne CCCOc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587059230 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059231 KK Annotated Bother O=C1c2ccccc2[C@@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059232 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059233 KK Annotated Bother O=C1c2ccccc2[C@H](c2nc3cccc([N+](=O)[O-])c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059234 KK Annotated Bother Cc1c(Br)cnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059235 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059236 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059237 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059238 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnc4ccccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059239 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnc4ccccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059240 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnc4ccccc4c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059241 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnc4ccccc4c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059242 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059243 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059244 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059245 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059246 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3ccccc3Cl)[nH]c21 ZINC000587059283 KK Annotated Clean Cc1cc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059324 KK Annotated Anodyne Cc1cc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059336 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4ccccc4Cl)[nH]c3cc21 ZINC000587059337 KK Annotated Clean Cc1cc(-c2nc3c(I)cccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059360 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059400 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059406 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059409 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059411 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059414 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059426 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059427 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059428 KK Annotated Anodyne N#Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C#N ZINC000587059431 KK Annotated Mild N#Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C#N ZINC000587059432 KK Annotated Mild N#Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C#N ZINC000587059433 KK Annotated Mild N#Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1C#N ZINC000587059434 KK Annotated Mild CCCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059435 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059461 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059463 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059466 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587059468 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587059471 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587059475 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2n1 ZINC000587059478 KK Annotated Anodyne COc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059482 KK Annotated Anodyne COc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059484 KK Annotated Anodyne COc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059485 KK Annotated Anodyne COc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059489 KK Annotated Anodyne Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587059495 KK Annotated Anodyne Cc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587059500 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587059505 KK Annotated Anodyne Cc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1F ZINC000587059506 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059507 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059513 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059516 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059519 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059522 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059526 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059529 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059530 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059532 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059554 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059556 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059559 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Cl)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059562 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059581 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059583 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059587 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059589 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059590 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059591 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059594 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc12 ZINC000587059595 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059596 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059600 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059603 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059606 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3cc21 ZINC000587059608 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059613 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059614 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059615 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059617 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059621 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059622 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059623 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c12 ZINC000587059624 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(I)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059625 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(I)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059626 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(I)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059627 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(I)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059628 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059631 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059632 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059633 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059634 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587059636 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587059637 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587059638 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3cc21 ZINC000587059639 KK Annotated Anodyne O=C(c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587059640 KK Annotated Anodyne O=C(c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587059641 KK Annotated Anodyne O=C(c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587059642 KK Annotated Anodyne O=C(c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587059643 KK Annotated Anodyne O=C(O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059644 KK Annotated Anodyne O=C(O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059645 KK Annotated Anodyne O=C(O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059646 KK Annotated Anodyne O=C(O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059647 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059648 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](O)c3ccccc3Cl)[nH]c21 ZINC000587059660 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)c3ccccc3Cl)[nH]c21 ZINC000587059661 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](O)c4ccccc4Cl)[nH]c3cc21 ZINC000587059683 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](O)c4ccccc4Cl)[nH]c3cc21 ZINC000587059684 KK Annotated Anodyne Cc1cc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059734 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059791 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059796 KK Annotated Anodyne Cc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059813 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)[nH]c2c1 ZINC000587059816 KK Annotated Anodyne Cc1cc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059822 KK Annotated Anodyne Cc1cc(-c2nc3ncc(I)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059825 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059827 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059829 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c(F)c1Nc1ccccc1 ZINC000587059831 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3cc21 ZINC000587059845 KK Annotated Clean Cc1cc(-c2nc3c(Cl)ncc(I)c3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587059850 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059851 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059852 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059853 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059855 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059856 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059857 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(I)cnc(Cl)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059858 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc1-2 ZINC000587059859 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc1-2 ZINC000587059860 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc1-2 ZINC000587059861 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc1-2 ZINC000587059862 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059863 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059864 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059865 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059866 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587059867 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587059868 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587059869 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c21 ZINC000587059870 KK Annotated Clean O=C1c2ccccc2[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059871 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059872 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Cl)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059873 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059874 KK Annotated Anodyne C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587059876 KK Annotated Anodyne C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587059877 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(O)nc(S)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059882 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(O)nc(S)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059883 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(O)nc(S)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059884 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(O)nc(S)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059885 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059886 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059887 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059888 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059889 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059890 KK Annotated Anodyne CCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059891 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059892 KK Annotated Anodyne CCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059893 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H]5c6ccccc6C(=O)N(C6CCCC6)[C@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587059898 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H]5c6ccccc6C(=O)N(C6CCCC6)[C@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587059899 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@H]5c6ccccc6C(=O)N(C6CCCC6)[C@@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587059900 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H]5c6ccccc6C(=O)N(C6CCCC6)[C@@H]5c5ccc(Cl)cc5Cl)[nH]c4c3)cc2)CC1 ZINC000587059901 KK Annotated Anodyne Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059902 KK Annotated Anodyne Cc1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059903 KK Annotated Anodyne Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059904 KK Annotated Anodyne Cc1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1C ZINC000587059905 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587059909 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587059910 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587059911 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587059912 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059913 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059914 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059915 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059916 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059926 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059927 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059928 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(CN4CCOCC4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059929 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587059930 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2cc1Br ZINC000587059931 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(CCO)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059932 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(CCO)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059933 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(CCO)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059934 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(CCO)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587059935 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059936 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059937 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059938 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2cc1Br ZINC000587059939 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587059944 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)nc2c1 ZINC000587059945 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059946 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059947 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059948 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587059950 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060072 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060073 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060074 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3ccc(Sc4ccccc4)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060075 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(I)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060076 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cccc(I)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060077 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(I)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060078 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cccc(I)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060079 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1C ZINC000587060080 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](C)Oc3ccc(Oc4ccc(Cl)cc4Cl)cc3)[nH]c2c1C ZINC000587060081 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587060082 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587060083 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587060084 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587060085 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060087 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060088 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060089 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cnc(C(F)(F)F)[nH]c-3n2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060090 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060091 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060092 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060093 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060094 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1N ZINC000587060096 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1N ZINC000587060097 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1N ZINC000587060098 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)cc1N ZINC000587060099 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587060100 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587060101 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587060102 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)nc2c1 ZINC000587060103 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587060104 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587060105 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587060106 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4c5ccccc5C(=O)N(C5CCCC5)[C@@H]4c4ccc(Cl)cc4Cl)[nH]c3c2)NNC(=O)C1 ZINC000587060107 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060108 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060109 KK Annotated Anodyne O=C1c2ccccc2[C@H](c2nc3cc(F)c(F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060110 KK Annotated Anodyne O=C1c2ccccc2[C@@H](c2nc3cc(F)c(F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 ZINC000587060111 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc1-2 ZINC000587060145 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587060157 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C(=O)Nc3ccccc3Cl)nc21 ZINC000587060169 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587060263 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c21 ZINC000587060324 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(C(=O)Nc4ccccc4Cl)nc3cc21 ZINC000587060381 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587060390 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccccc5Cl)nc5ccccc45)[nH]c3cc21 ZINC000587060396 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587060409 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 ZINC000587060514 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3cc21 ZINC000587060528 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587060534 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3cc21 ZINC000587060536 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3coc(-c4ccccc4Cl)n3)nc1-2 ZINC000587060537 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(N)nc4-c4ccccc4Cl)[nH]c3cc21 ZINC000587060538 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3coc(-c4ccccc4Cl)n3)[nH]c21 ZINC000587060549 KK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060574 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060612 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6ccccc6Cl)nc6ccccc56)[nH]c4c3)o2)cc1 ZINC000587060614 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060637 KK Annotated Anodyne Cc1cc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587060676 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccccc5Cl)nc5ccccc45)[nH]c3cc21 ZINC000587060687 KK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060714 KK Annotated Anodyne O=C(Nc1ccccc1Cl)c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587060750 KK Annotated Bother FC(F)(F)Oc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587060753 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(C)nc5c4c(C)nn5Cc4ccccc4Cl)nc3cc21 ZINC000587060764 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587060779 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060784 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060790 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587060801 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587060827 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587060850 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(N)nc4-c4ccccc4Cl)[nH]c3cc21 ZINC000587060885 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2cc1Br ZINC000587060925 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c21 ZINC000587061027 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc(C)nc5c4c(C)nn5Cc4ccccc4Cl)nc3c2)cc1 ZINC000587061037 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061043 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061052 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061054 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061061 KK Annotated Anodyne CCCOc1cc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587061072 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061107 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587061115 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587061145 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061157 KK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587061161 KK Annotated Clean CC[C@@H](Oc1ccccc1Cl)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587061162 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587061166 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c21 ZINC000587061183 KK Annotated Clean Nc1ncc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061243 KK Annotated Bother Nc1ncc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(-c2ccccc2Cl)n1 ZINC000587061247 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587061294 KK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587061343 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 ZINC000587061412 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cc2ccccc21 ZINC000587061430 KK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587061464 KK Annotated Bother CC[C@@H](Oc1ccccc1Cl)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587061465 KK Annotated Bother CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061481 KK Annotated Anodyne Cc1cc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061516 KK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061572 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587061583 KK Annotated Bother COCCN1C(=O)CC[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061591 KK Annotated Reactive Cc1cc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587061624 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)[C@H]1c1ccccc1Cl ZINC000587061627 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587061630 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587061704 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587061705 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2cc1Br ZINC000587061750 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587061897 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNc4ccccc4Cl)[nH]c3cc21 ZINC000587061944 KK Annotated Anodyne CCCCOc1cc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587061967 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587061968 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062014 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1Br ZINC000587062027 KK Annotated Mild CCN1C(=O)C[C@@H](c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)[C@@H]1c1ccccc1Cl ZINC000587062056 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062062 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(C)nc4c3c(C)nn4Cc3ccccc3Cl)nc2c1 ZINC000587062080 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587062082 KK Annotated Mild COCCN1C(=O)CC[C@H](c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062101 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587062107 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062113 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062131 KK Annotated Anodyne Cc1cc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 ZINC000587062142 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062145 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062158 KK Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062204 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587062248 KK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587062278 KK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587062279 KK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587062280 KK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587062281 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587062286 KK Annotated Anodyne CCCOc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587062407 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587062408 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc2ccccc21 ZINC000587062412 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc2ccccc21 ZINC000587062422 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062455 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062463 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062480 KK Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3cc(OC(C)C)c(Br)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062488 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H]1c1ccccc1Cl ZINC000587062498 KK Annotated Anodyne CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)[C@@H]1c1ccccc1Cl ZINC000587062547 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCC(=O)N(CCOC)[C@@H]4c4ccccc4Cl)[nH]c3cc21 ZINC000587062563 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CC(=O)N(CC)[C@H]4c4ccccc4Cl)[nH]c3cc21 ZINC000587062565 KK Annotated Clean Clc1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587062567 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc2ccccc21 ZINC000587062574 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062579 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2cc1Br ZINC000587062614 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc(C)nc6c5c(C)nn6Cc5ccccc5Cl)nc4c3)o2)cc1 ZINC000587062636 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062638 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062654 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062670 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)nc2c1 ZINC000587062683 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062701 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c21 ZINC000587062708 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3ccc(-c4ccccc4Cl)cc3)nc2c1 ZINC000587062725 KK Annotated Reactive COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587062730 KK Annotated Anodyne CC[C@H](Oc1ccccc1Cl)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587062779 KK Annotated Anodyne CC[C@@H](Oc1ccccc1Cl)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587062781 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587062801 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNc3ccccc3Cl)[nH]c21 ZINC000587062847 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4noc(C)c4COc4ccccc4Cl)nc3cc21 ZINC000587062849 KK Annotated Clean CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587062855 KK Annotated Clean CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587062858 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNc4ccccc4Cl)[nH]c3cc21 ZINC000587062861 KK Annotated Clean Cc1onc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c1COc1ccccc1Cl ZINC000587062907 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1 ZINC000587062962 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c12 ZINC000587062964 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2cc1Br ZINC000587063056 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3cc21 ZINC000587063087 KK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063090 KK Annotated Bother COCCN1C(=O)CC[C@H](c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063096 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c(F)c1Nc1ccccc1 ZINC000587063153 KK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063157 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc1-2 ZINC000587063262 KK Annotated Anodyne Cc1onc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)c1COc1ccccc1Cl ZINC000587063357 KK Annotated Anodyne Cc1onc(-c2nc3c(Cl)ncc(I)c3[nH]2)c1COc1ccccc1Cl ZINC000587063380 KK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063396 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc21 ZINC000587063398 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc21 ZINC000587063478 KK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063546 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)[C@H]1c1ccccc1Cl ZINC000587063556 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCC(=O)N(CCOC)[C@@H]3c3ccccc3Cl)[nH]c21 ZINC000587063557 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 ZINC000587063561 KK Annotated Reactive Cc1onc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063630 KK Annotated Anodyne Cc1onc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063654 KK Annotated Anodyne COCCN1C(=O)CC[C@H](c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)[C@H]1c1ccccc1Cl ZINC000587063658 KK Annotated Clean COCCN1C(=O)CC[C@H](c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]1c1ccccc1Cl ZINC000587063666 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3cc21 ZINC000587063721 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1Br ZINC000587063732 KK Annotated Mild Cc1onc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063733 KK Annotated Anodyne Cc1onc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)c1COc1ccccc1Cl ZINC000587063782 KK Annotated Anodyne Cc1onc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063797 KK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063800 KK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl ZINC000587063804 KK Annotated Reactive CCCCCOc1cc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2cc1Br ZINC000587063809 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587063827 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063830 KK Annotated Anodyne O=c1cccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063853 KK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587063871 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587063877 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587063884 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3cc21 ZINC000587063885 KK Annotated Clean O=c1cccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587063899 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccc(=O)n4CCOc4ccccc4Cl)nc3cc21 ZINC000587063909 KK Annotated Clean CC(C)CCOc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587063915 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587063923 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cc(I)cnc3[nH]2)cc2ccccc21 ZINC000587063929 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587063930 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c21 ZINC000587063933 KK Annotated Clean Clc1ccccc1OCCn1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc2ccccc21 ZINC000587063959 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587063960 KK Annotated Mild Clc1ccccc1OCCn1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc2ccccc21 ZINC000587063961 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587063963 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587063970 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1)C(F)(F)F ZINC000587063975 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587064001 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc2ccccc21 ZINC000587064012 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064019 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064022 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(I)cc3[nH]2)cc2ccccc21 ZINC000587064028 KK Annotated Anodyne O=c1cccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064053 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cn1 ZINC000587064054 KK Annotated Anodyne O=c1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064058 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c(F)c1Nc1ccccc1 ZINC000587064063 KK Annotated Anodyne O=c1cccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064068 KK Annotated Anodyne O=c1cccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064075 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Br ZINC000587064078 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(Cl)c(OC)cn3)nc21 ZINC000587064092 KK Annotated Clean O=c1cccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064108 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c12 ZINC000587064109 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(COc5ccccc5Cl)o4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587064140 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc2ccccc21 ZINC000587064142 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2cc1Br ZINC000587064165 KK Annotated Anodyne O=c1cccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064168 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064198 KK Annotated Anodyne O=c1cccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064203 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3c2)cc1 ZINC000587064208 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cc1Br ZINC000587064270 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc1-2 ZINC000587064295 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587064297 KK Annotated Bother O=c1cccc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064300 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064304 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1F ZINC000587064306 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3cccc(I)c3[nH]2)cc2ccccc21 ZINC000587064311 KK Annotated Anodyne O=c1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064325 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 ZINC000587064359 KK Annotated Reactive CCOC(=O)c1cc(Br)c2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064392 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587064437 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(COc5ccccc5Cl)o4)nc3cc21 ZINC000587064446 KK Annotated Clean FC(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587064448 KK Annotated Anodyne CCOc1n[nH]c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1Cl ZINC000587064451 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c21 ZINC000587064468 KK Annotated Clean O=c1cccc(-c2nc3c(Br)ncc(Br)c3[nH]2)n1CCOc1ccccc1Cl ZINC000587064477 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587064514 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc21 ZINC000587064518 KK Annotated Clean O=c1cccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064532 KK Annotated Reactive CCOc1n[nH]c(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1Cl ZINC000587064558 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1Br ZINC000587064578 KK Annotated Mild CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1Cl ZINC000587064650 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 ZINC000587064657 KK Annotated Anodyne Clc1ccccc1OCc1ccc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)o1 ZINC000587064669 KK Annotated Anodyne COc1cnc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1Cl ZINC000587064689 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(COc5ccccc5Cl)o4)nc3cc21 ZINC000587064703 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 ZINC000587064707 KK Annotated Anodyne COc1cnc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1Cl ZINC000587064739 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 ZINC000587064742 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c21 ZINC000587064756 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 ZINC000587064803 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587064818 KK Annotated Bother Oc1nc(NCc2ccccc2)c2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc-2[nH]1 ZINC000587064833 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2cc1Cl ZINC000587064846 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064864 KK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587064873 KK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587064877 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4c(C=O)cc(Cl)cc4OC)[nH]c3cc21 ZINC000587064893 KK Annotated Clean O=C(O)c1cc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587064920 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 ZINC000587064930 KK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c(C)c1Cl ZINC000587064951 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-n5nc(C)c(Cl)c5C)c4)[nH]c3cc21 ZINC000587064966 KK Annotated Anodyne O=c1cccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl ZINC000587064973 KK Annotated Anodyne Clc1ccccc1OCCn1c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc2ccccc21 ZINC000587064980 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccc(=O)n4CCOc4ccccc4Cl)nc3cc21 ZINC000587065006 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc4ccccc4n3CCOc3ccccc3Cl)nc2c1 ZINC000587065031 KK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2)c(C)c1Cl ZINC000587065035 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc21 ZINC000587065054 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5ccccc5n4CCOc4ccccc4Cl)[nH]c3cc21 ZINC000587065081 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c12 ZINC000587065101 KK Annotated Anodyne O=c1cccc(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)n1CCOc1ccccc1Cl ZINC000587065112 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6ccccc6n5CCOc5ccccc5Cl)[nH]c4c3)o2)cc1 ZINC000587065113 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ncccc4Cl)[nH]c3cc21 ZINC000587065215 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Cl)c(OC)cn4)nc3cc21 ZINC000587065264 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ncccc4Cl)[nH]c3cc21 ZINC000587065311 KK Annotated Clean COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587065314 KK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c(C)c1Cl ZINC000587065319 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c21 ZINC000587065346 KK Annotated Clean CCCCCCCCOc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1Br ZINC000587065497 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ncccc3Cl)[nH]c21 ZINC000587065541 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-n5nc(C)c(Cl)c5C)c4)[nH]c3cc21 ZINC000587065578 KK Annotated Clean Cc1nn(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c(C)c1Cl ZINC000587065600 KK Annotated Bother COc1cc(Cl)cc(C=O)c1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587065613 KK Annotated Reactive CCOc1n[nH]c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1Cl ZINC000587065705 KK Annotated Anodyne Cc1nn(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)c(C)c1Cl ZINC000587065755 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCOc3ccc(Cl)cc3C)[nH]c21 ZINC000587065880 KK Annotated Clean Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587065908 KK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587065920 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn4-c4ccc(Cl)cc4C)nc3cc21 ZINC000587066076 KK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587066102 KK Annotated Anodyne Cc1cc(Cl)ccc1OCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587066106 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc21 ZINC000587066123 KK Annotated Clean Cc1cc(Cl)ccc1OCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587066127 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCOc4ccc(Cl)cc4C)[nH]c3cc21 ZINC000587066140 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)cc4OC)[nH]c3cc21 ZINC000587066158 KK Annotated Clean Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587066164 KK Annotated Anodyne COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587066192 KK Annotated Anodyne CNc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587066201 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)cc3OC)[nH]c21 ZINC000587066247 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C#Cc4ccc(Cl)cc4C)[nH]c3cc21 ZINC000587066425 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn4-c4ccc(Cl)cc4C)nc3cc21 ZINC000587066439 KK Annotated Clean Cc1cc(Cl)ccc1OCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587066463 KK Annotated Reactive CNc1cc(Cl)ccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587066510 KK Annotated Bother COc1cc(Cl)ccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587066678 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)cc4NC)[nH]c3cc21 ZINC000587066740 KK Annotated Clean Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587066744 KK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587066796 KK Annotated Anodyne COc1cc(Cl)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587066969 KK Annotated Anodyne Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2[nH]1 ZINC000587066977 KK Annotated Anodyne Cc1cc(Cl)ccc1C#Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587067012 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2cc1Br ZINC000587067035 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C#Cc3ccc(Cl)cc3C)[nH]c21 ZINC000587067126 KK Annotated Mild Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587067150 KK Annotated Bother CCCCCCCCOc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1Br ZINC000587067231 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCOc4ccc(Cl)cc4C)[nH]c3cc21 ZINC000587067238 KK Annotated Clean COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587067253 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)cc3NC)[nH]c21 ZINC000587067289 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C#Cc4ccc(Cl)cc4C)[nH]c3cc21 ZINC000587067388 KK Annotated Mild Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587067444 KK Annotated Bother OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587067454 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)[nH]c3cc21 ZINC000587067481 KK Annotated Clean Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587067485 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)[nH]c3cc21 ZINC000587067512 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(Cl)cc4C)[nH]c3cc21 ZINC000587067597 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c21 ZINC000587067611 KK Annotated Clean CC(C)CCOc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587067651 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587067671 KK Annotated Bother Cc1cc(Cl)ccc1O[C@H](C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587067716 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(Cl)cc4C)[nH]c3cc21 ZINC000587067722 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c21 ZINC000587067788 KK Annotated Clean FC(F)(F)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587067818 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587067902 KK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2-c2ccco2)c1 ZINC000587067908 KK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587067922 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc1-2 ZINC000587067928 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587067944 KK Annotated Mild Clc1cccc(-n2nc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2-c2ccco2)c1 ZINC000587067946 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cc(-c6ccco6)n(-c6cccc(Cl)c6)n5)[nH]c4c3)cc2)CC1 ZINC000587067962 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c21 ZINC000587067988 KK Annotated Clean CCCCCOc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587068006 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068079 KK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587068091 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068092 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cc1Br ZINC000587068126 KK Annotated Mild CC(C)COc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068155 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587068181 KK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068190 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068196 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3cc21 ZINC000587068204 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068205 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068232 KK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2-c2ccco2)c1 ZINC000587068250 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068258 KK Annotated Anodyne Clc1cccc(-n2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2-c2ccco2)c1 ZINC000587068271 KK Annotated Anodyne O=C(O)c1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587068273 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc21 ZINC000587068286 KK Annotated Clean FC(F)(F)Oc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1Br ZINC000587068309 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c12 ZINC000587068343 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068356 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068368 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3c2)cc1 ZINC000587068369 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6ccco6)n(-c6cccc(Cl)c6)n5)[nH]c4c3)o2)cc1 ZINC000587068384 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3cc21 ZINC000587068394 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068520 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5cccc(Cl)c5)[nH]n4)nc3cc21 ZINC000587068522 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068534 KK Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587068551 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c1 ZINC000587068579 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc1-2 ZINC000587068625 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc(-c6ccco6)n(-c6cccc(Cl)c6)n5)[nH]c4c3)cc2)CC1 ZINC000587068696 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587068734 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CN)Cc3ccc(Cl)cc3)[nH]c21 ZINC000587068757 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccco5)n(-c5cccc(Cl)c5)n4)[nH]c3cc21 ZINC000587068760 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CN)Cc3ccc(Cl)cc3)[nH]c21 ZINC000587068761 KK Annotated Clean FC(F)(F)c1cc(Br)cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 ZINC000587068808 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 ZINC000587068829 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587068882 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587068886 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c21 ZINC000587068901 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c21 ZINC000587068908 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587068949 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587068957 KK Annotated Anodyne CC(C)COc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069034 KK Annotated Anodyne CC(C)COc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069035 KK Annotated Anodyne CCCCOc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069042 KK Annotated Anodyne CCCCOc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069045 KK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587069054 KK Annotated Bother C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587069062 KK Annotated Bother Clc1ccc(CC/C(=C\c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069071 KK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(Br)ccc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069073 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587069086 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587069087 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587069089 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587069091 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069094 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069102 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587069107 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587069108 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587069109 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587069110 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587069130 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587069132 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3cc21 ZINC000587069133 KK Annotated Clean CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587069153 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069155 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587069156 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587069157 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587069158 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069159 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587069162 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587069165 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587069167 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587069169 KK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc2)cc1 ZINC000587069186 KK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(Br)c(Br)cc3[nH]2)c2ccccc2)cc1 ZINC000587069188 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069224 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069228 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069230 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587069231 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000587069242 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000587069244 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CN)Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000587069249 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CN)Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000587069252 KK Annotated Clean C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587069303 KK Annotated Reactive C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587069307 KK Annotated Reactive CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@@H](NC(=O)OC(C)(C)C)c5cccc(Cl)c5)[nH]c4c3)cc2)CC1 ZINC000587069442 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C[C@H](NC(=O)OC(C)(C)C)c5cccc(Cl)c5)[nH]c4c3)cc2)CC1 ZINC000587069443 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587069450 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587069451 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1cccc(Cl)c1 ZINC000587069480 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1cccc(Cl)c1 ZINC000587069483 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587069489 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc1-2 ZINC000587069490 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587069570 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069575 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587069577 KK Annotated Reactive CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587069578 KK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587069583 KK Annotated Bother CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587069587 KK Annotated Bother Clc1cccc(COc2ccc(/C=C/c3nc4c(Br)cnc(Br)c4[nH]3)cc2)c1 ZINC000587069590 KK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4c(Br)cnc(Br)c4[nH]3)cc2)c1 ZINC000587069596 KK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc2)cc1 ZINC000587069625 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587069639 KK Annotated Reactive Clc1ccc(CC/C(=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2ccccc2)cc1 ZINC000587069640 KK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069641 KK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(Br)cnc(Br)c3[nH]2)c2ccccc2)cc1 ZINC000587069643 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587069650 KK Annotated Reactive CCCCCCCCOc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Br ZINC000587069701 KK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587069710 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C(/CCc5ccc(Cl)cc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587069714 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C(\CCc5ccc(Cl)cc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587069715 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587069717 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587069756 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587069757 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069773 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@@H](/C=C(\Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)o2)cc1 ZINC000587069781 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@@H](/C=C(/Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)o2)cc1 ZINC000587069790 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587069791 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@H](/C=C(\Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)o2)cc1 ZINC000587069792 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5[C@H](/C=C(/Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)o2)cc1 ZINC000587069794 KK Annotated Anodyne Clc1ccc(CC/C(=C\c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587069798 KK Annotated Anodyne Clc1ccc(CC/C(=C/c2nc3c(I)cnc(Cl)c3[nH]2)c2ccccc2)cc1 ZINC000587069807 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069809 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069812 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069839 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587069841 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000587069942 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000587069947 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587069990 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587069991 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Cl)cc3)nc21 ZINC000587070020 KK Annotated Clean CC(C)CCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587070032 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587070033 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070039 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070040 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1Br ZINC000587070057 KK Annotated Anodyne C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587070068 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070075 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070076 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587070077 KK Annotated Anodyne C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587070078 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587070079 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070085 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587070087 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587070088 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587070091 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070099 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070103 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070107 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587070109 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070126 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070128 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc1-2 ZINC000587070135 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070150 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070151 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc1-2 ZINC000587070155 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070180 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 ZINC000587070207 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587070240 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587070242 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587070245 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587070247 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587070250 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587070251 KK Annotated Anodyne Clc1cccc(COc2ccc(/C=C\c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2)c1 ZINC000587070268 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c21 ZINC000587070270 KK Annotated Clean Clc1cccc(COc2ccc(/C=C/c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2)c1 ZINC000587070275 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c21 ZINC000587070276 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587070311 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc21 ZINC000587070312 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc21 ZINC000587070315 KK Annotated Clean COC(=O)c1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587070340 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587070345 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c21 ZINC000587070379 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c21 ZINC000587070393 KK Annotated Clean COC(=O)c1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587070396 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070413 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587070418 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587070421 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587070423 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1cccc(Cl)c1 ZINC000587070431 KK Annotated Anodyne CC(C)COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587070439 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587070443 KK Annotated Mild CC(C)COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587070447 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587070502 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587070513 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc21 ZINC000587070652 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc21 ZINC000587070653 KK Annotated Clean FC(F)(F)c1cc(Br)cc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070656 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c12 ZINC000587070657 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c21 ZINC000587070813 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c21 ZINC000587070814 KK Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587070829 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587070859 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587070873 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587070876 KK Annotated Anodyne Clc1cc(Cl)cc(-c2cncc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587070934 KK Annotated Anodyne Clc1cccc(COc2ccc(/C=C/c3nc4c(I)cnc(Cl)c4[nH]3)cc2)c1 ZINC000587070953 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c3cc21 ZINC000587070960 KK Annotated Clean Clc1cccc(COc2ccc(/C=C\c3nc4c(I)cnc(Cl)c4[nH]3)cc2)c1 ZINC000587070962 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000587071010 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)CC(=O)c4ccc(Cl)cc4)[nH]c3cc21 ZINC000587071020 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc21 ZINC000587071093 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(OCc5cccc(Cl)c5)cc4)[nH]c3cc21 ZINC000587071102 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071113 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071122 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587071123 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071127 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587071128 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071134 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c21 ZINC000587071135 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071143 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071146 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071152 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071154 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071160 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c12 ZINC000587071164 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3cc21 ZINC000587071166 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071190 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071196 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1cccc(Cl)c1 ZINC000587071215 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1cccc(Cl)c1 ZINC000587071217 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071228 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071229 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071234 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3cc21 ZINC000587071306 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071320 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071321 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071322 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587071323 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071351 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c3cc21 ZINC000587071362 KK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071374 KK Annotated Anodyne CC(C)Oc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071381 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587071393 KK Annotated Anodyne CCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071397 KK Annotated Anodyne CCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071399 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587071404 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587071407 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587071410 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071439 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587071443 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071513 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071514 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071515 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc1-2 ZINC000587071518 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071519 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc1-2 ZINC000587071521 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071555 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071557 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071596 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 ZINC000587071597 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5[C@H](/C=C(/Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587071631 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5[C@@H](/C=C(\Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587071632 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5[C@H](/C=C(\Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587071633 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H]5[C@@H](/C=C(/Cl)c6ccc(Cl)cc6)C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587071634 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587071652 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587071653 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587071654 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587071655 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071663 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587071667 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587071668 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587071669 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071670 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587071671 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071681 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587071682 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cccc(Cl)c1 ZINC000587071685 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cccc(Cl)c1 ZINC000587071686 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)cc1 ZINC000587071699 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)cc1 ZINC000587071701 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 ZINC000587071730 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587071779 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587071785 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587071788 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587071793 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071794 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587071797 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071802 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587071807 KK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071835 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587071836 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587071892 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587071893 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587071895 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587071896 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071924 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071925 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071926 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2c1 ZINC000587071927 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587071955 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587071956 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587071957 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587071958 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cncc(-c6cc(Cl)cc(Cl)c6)c5)[nH]c4c3)o2)cc1 ZINC000587071987 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071996 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1cccc(Cl)c1 ZINC000587071997 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072034 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072035 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587072043 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587072045 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072053 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072054 KK Annotated Anodyne CCCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587072055 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2cc1Br ZINC000587072056 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3cc21 ZINC000587072061 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3cc21 ZINC000587072062 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587072074 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587072079 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587072080 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 ZINC000587072081 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072092 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 ZINC000587072098 KK Annotated Reactive FC(F)(F)c1cc(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072127 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072128 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)cc1 ZINC000587072134 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3c2)cc1 ZINC000587072135 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072145 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 ZINC000587072146 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587072169 KK Annotated Anodyne FC(F)(F)c1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587072170 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c21 ZINC000587072246 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c21 ZINC000587072247 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c21 ZINC000587072248 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c21 ZINC000587072249 KK Annotated Clean CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587072293 KK Annotated Reactive CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587072294 KK Annotated Reactive CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587072295 KK Annotated Reactive CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587072296 KK Annotated Reactive CC(C)COc1cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587072341 KK Annotated Anodyne CC(C)COc1cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1Br ZINC000587072343 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc21 ZINC000587072350 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587072405 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072414 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1cccc(Cl)c1 ZINC000587072415 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072429 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072430 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072456 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cccc(Cl)c1 ZINC000587072457 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587072483 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587072487 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587072488 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587072489 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072498 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072499 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072500 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072501 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587072519 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)nc2c1 ZINC000587072526 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3cc21 ZINC000587072552 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(=O)OC(C)(C)C)c4cccc(Cl)c4)[nH]c3cc21 ZINC000587072555 KK Annotated Clean CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587072559 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587072562 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587072563 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587072564 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072580 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072581 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072582 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)nc2c1 ZINC000587072583 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072599 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)c3cccc(Cl)c3)[nH]c2c1 ZINC000587072601 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C(=O)Cc3ccc(Cl)cc3)nc21 ZINC000587072652 KK Annotated Clean CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587072664 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587072665 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587072666 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587072667 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587072678 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587072679 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587072680 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587072681 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587072703 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587072704 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587072705 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587072706 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587072721 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587072722 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587072723 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587072724 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587072794 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587072795 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@H](/C=C(\Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587072796 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4[C@H](/C=C(/Cl)c5ccc(Cl)cc5)C4(C)C)[nH]c3c2)cc1 ZINC000587072797 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587072806 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587072807 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587072808 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587072809 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587072811 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587072812 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587072813 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587072814 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587072821 KK Annotated Anodyne CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587072822 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587072823 KK Annotated Anodyne CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587072824 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072863 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072864 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072865 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072866 KK Annotated Mild CC(C)CCOc1cc2nc([C@@H]3[C@@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072869 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3[C@H](/C=C(/Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072870 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3[C@@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072871 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3[C@H](/C=C(\Cl)c4ccc(Cl)cc4)C3(C)C)[nH]c2cc1Br ZINC000587072872 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587072964 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587072973 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587072974 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587072977 KK Annotated Anodyne COC(=O)c1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587072981 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587072998 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1 ZINC000587072999 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587073009 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587073011 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073026 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587073027 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587073033 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587073048 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587073049 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587073053 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc1-2 ZINC000587073135 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc1-2 ZINC000587073136 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587073177 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587073180 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587073186 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587073207 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587073209 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587073217 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587073218 KK Annotated Bother CCCOc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587073232 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587073245 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c21 ZINC000587073247 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587073261 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587073267 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(C)cccc4-c4ccc(Cl)cc4)[nH]c3cc21 ZINC000587073279 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(C)cccc4-c4ccc(Cl)cc4)[nH]c3cc21 ZINC000587073336 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c21 ZINC000587073393 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc21 ZINC000587073400 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 ZINC000587073489 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587073494 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587073502 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587073511 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc12 ZINC000587073520 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587073552 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587073554 KK Annotated Anodyne Cc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587073565 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587073575 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587073577 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000587073580 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587073635 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(Cc6ccc(Cl)cc6)CCCN5C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587073683 KK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587073695 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587073711 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc21 ZINC000587073717 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3cc21 ZINC000587073726 KK Annotated Anodyne CC(C)COc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587073737 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587073792 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587073793 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587073799 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587073807 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587073810 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc12 ZINC000587073811 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587073820 KK Annotated Clean O=C(O)c1cc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587073832 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587073836 KK Annotated Anodyne Cc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587073843 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc21 ZINC000587073846 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c21 ZINC000587073859 KK Annotated Clean CN1CCN(c2ccc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3c2)CC1 ZINC000587073877 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587073879 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587073896 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587073906 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587073924 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587073937 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587073939 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587073944 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3cc21 ZINC000587073949 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@]5(Cc6ccc(Cl)cc6)CCCN5C(=O)OC(C)(C)C)[nH]c4c3)cc2)CC1 ZINC000587073996 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C(/CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587074090 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C(\CCc4ccc(Cl)cc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587074091 KK Annotated Anodyne Cc1nc2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2cc1Br ZINC000587074096 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074114 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587074149 KK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587074160 KK Annotated Bother CC1=C(c2ccc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587074165 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587074188 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(Cc5ccc(Cl)cc5)CCCN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587074202 KK Annotated Clean CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587074208 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587074210 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587074223 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587074235 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074241 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587074243 KK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587074252 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587074268 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587074282 KK Annotated Anodyne Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587074285 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587074286 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587074290 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587074299 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nnn(Cc5ccc(Cl)cc5)c4C)[nH]c3cc21 ZINC000587074321 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nnn(Cc5ccc(Cl)cc5)c4C)[nH]c3cc21 ZINC000587074346 KK Annotated Clean CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587074390 KK Annotated Clean CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587074392 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587074393 KK Annotated Anodyne Cc1nc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1Br ZINC000587074399 KK Annotated Anodyne Cc1nc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1Br ZINC000587074404 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c21 ZINC000587074410 KK Annotated Clean CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587074416 KK Annotated Bother Cc1cc(Br)c2[nH]c([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)nc2c1 ZINC000587074418 KK Annotated Anodyne O=C(c1ccc2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587074419 KK Annotated Anodyne O=C(c1ccc2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587074420 KK Annotated Anodyne CCCCOc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587074429 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587074431 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587074436 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587074450 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@]3(Cc4ccc(Cl)cc4)CCCN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587074453 KK Annotated Mild CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5(c6ccc(Cl)cc6)CCC5)[nH]c4c3)cc2)CC1 ZINC000587074472 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3cc21 ZINC000587074486 KK Annotated Clean Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587074511 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(I)cc3[nH]2)cc1 ZINC000587074521 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587074528 KK Annotated Bother Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587074535 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3cc21 ZINC000587074538 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587074539 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587074543 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3cc21 ZINC000587074545 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587074546 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587074585 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587074587 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(c4ccc(Cl)cc4)CCC3)nc12 ZINC000587074607 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074612 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(C)cccc3-c3ccc(Cl)cc3)[nH]c2cc1Br ZINC000587074615 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074618 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074621 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074623 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074635 KK Annotated Mild N#Cc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074638 KK Annotated Mild Cc1c(Br)cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587074641 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587074643 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074648 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074651 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587074652 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587074654 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc-2[nH]1 ZINC000587074667 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc-2[nH]1 ZINC000587074672 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587074677 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587074682 KK Annotated Anodyne Cc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074705 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c21 ZINC000587074717 KK Annotated Clean Cc1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074742 KK Annotated Anodyne Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 ZINC000587074781 KK Annotated Reactive Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587074814 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587074815 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074829 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074830 KK Annotated Reactive CC(C)CCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587074837 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587074838 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000587074839 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3cc21 ZINC000587074840 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074841 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587074842 KK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc1-2 ZINC000587074848 KK Annotated Anodyne FC(F)(F)c1nc(Cl)[nH]c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc1-2 ZINC000587074849 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1F ZINC000587074855 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1F ZINC000587074856 KK Annotated Anodyne O=C(c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587074863 KK Annotated Anodyne O=C(c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587074864 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074879 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587074880 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cccc(I)c3[nH]2)cc1 ZINC000587074898 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cccc(I)c3[nH]2)cc1 ZINC000587074899 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074908 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587074909 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 ZINC000587074937 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587074985 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 ZINC000587074986 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc21 ZINC000587074997 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1Br ZINC000587075069 KK Annotated Mild Cc1onc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075073 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587075084 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3cc21 ZINC000587075116 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(-c5ccc(Cl)cc5)nc4C)[nH]c3cc21 ZINC000587075157 KK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587075168 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnn(-c5ccc(Cl)cc5)c4C)[nH]c3cc21 ZINC000587075185 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075214 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075215 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587075220 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587075221 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587075230 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587075231 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1 ZINC000587075252 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1 ZINC000587075254 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587075269 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587075277 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587075279 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4noc(C)c4COc4ccc(Cl)cc4)nc3cc21 ZINC000587075282 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587075289 KK Annotated Mild O=C(c1ccccc1)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587075295 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587075298 KK Annotated Anodyne Cc1onc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075310 KK Annotated Anodyne Cc1onc(-c2nc3c(Cl)ncc(I)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075354 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075366 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075369 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3cc21 ZINC000587075393 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1N ZINC000587075414 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1N ZINC000587075415 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3cc21 ZINC000587075439 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(-c5ccc(Cl)cc5)nn4)[nH]c3cc21 ZINC000587075452 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 ZINC000587075461 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(-c5ccc(Cl)cc5)nc4C)[nH]c3cc21 ZINC000587075499 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 ZINC000587075709 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075718 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075719 KK Annotated Anodyne CCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587075728 KK Annotated Anodyne CCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587075729 KK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587075763 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c21 ZINC000587075779 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c21 ZINC000587075780 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c21 ZINC000587075781 KK Annotated Clean Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587075786 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c21 ZINC000587075787 KK Annotated Clean Cc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587075792 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075807 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587075809 KK Annotated Anodyne Cc1onc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075836 KK Annotated Anodyne Cc1onc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587075844 KK Annotated Anodyne Oc1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075883 KK Annotated Anodyne Oc1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075889 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1 ZINC000587075904 KK Annotated Clean Nc1ccc(Oc2ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1 ZINC000587075911 KK Annotated Clean FC(F)(F)c1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075914 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587075916 KK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587075928 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c12 ZINC000587076015 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4noc(C)c4COc4ccc(Cl)cc4)nc3cc21 ZINC000587076028 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1Br ZINC000587076039 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587076063 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc21 ZINC000587076096 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc21 ZINC000587076099 KK Annotated Anodyne Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587076142 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(Cl)cc5)nc4O)nc3cc21 ZINC000587076158 KK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587076248 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c21 ZINC000587076254 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnn(-c5ccc(Cl)cc5)c4C)[nH]c3cc21 ZINC000587076278 KK Annotated Clean Cc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076282 KK Annotated Anodyne Cc1c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cnn1-c1ccc(Cl)cc1 ZINC000587076285 KK Annotated Anodyne Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 ZINC000587076292 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587076309 KK Annotated Bother Cc1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076344 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2cc1Br ZINC000587076351 KK Annotated Mild Cc1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587076357 KK Annotated Anodyne Cc1onc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076370 KK Annotated Bother Cc1onc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076377 KK Annotated Reactive COC(=O)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587076380 KK Annotated Anodyne COC(=O)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587076385 KK Annotated Anodyne Cc1onc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587076417 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1 ZINC000587076432 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3c2)cc1 ZINC000587076434 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587076468 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587076471 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c21 ZINC000587076508 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076552 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3cc21 ZINC000587076579 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076580 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587076621 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587076629 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5c6c(nc7ccccc57)/C(=C\c5ccc(Cl)cc5)CC6)[nH]c4c3)o2)cc1 ZINC000587076635 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c6c(nc7ccccc57)/C(=C/c5ccc(Cl)cc5)CC6)[nH]c4c3)o2)cc1 ZINC000587076653 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587076658 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587076709 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2cc1Br ZINC000587076712 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c21 ZINC000587076757 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c21 ZINC000587076758 KK Annotated Clean O=C(O)c1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587076776 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc21 ZINC000587076802 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2cc1Br ZINC000587076814 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c21 ZINC000587076855 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076959 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587076963 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587076977 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587076981 KK Annotated Bother Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587077003 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 ZINC000587077008 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587077030 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1Br ZINC000587077067 KK Annotated Mild CCCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077078 KK Annotated Anodyne CCCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077082 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077083 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077084 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077090 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077091 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077092 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077093 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc1-2 ZINC000587077101 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc1-2 ZINC000587077106 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1)C(F)(F)F ZINC000587077136 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1)C(F)(F)F ZINC000587077137 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077142 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077144 KK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2cc1Br ZINC000587077154 KK Annotated Anodyne Fc1cc2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2cc1Br ZINC000587077155 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(Cl)cc5)nc4O)nc3cc21 ZINC000587077178 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077246 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 ZINC000587077247 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 ZINC000587077266 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc21 ZINC000587077273 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc21 ZINC000587077274 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c12 ZINC000587077327 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587077329 KK Annotated Bother Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587077330 KK Annotated Bother FC(F)(F)Sc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077351 KK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077356 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077367 KK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077368 KK Annotated Bother FC(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077389 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077392 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077405 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Cl ZINC000587077406 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3cc21 ZINC000587077417 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc12 ZINC000587077434 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc12 ZINC000587077436 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077437 KK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077438 KK Annotated Bother CCCCCCCCOc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1Br ZINC000587077454 KK Annotated Mild Fc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077457 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077460 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587077462 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587077464 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1)N1CCOCC1 ZINC000587077467 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1)N1CCOCC1 ZINC000587077468 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc21 ZINC000587077476 KK Annotated Clean Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000587077477 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000587077480 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077485 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077486 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c21 ZINC000587077573 KK Annotated Clean CC1=C(c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3c2)NNC(=O)C1 ZINC000587077618 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3c2)NNC(=O)C1 ZINC000587077619 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587077627 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587077628 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077629 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077630 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587077644 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587077645 KK Annotated Anodyne Fc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1Br ZINC000587077647 KK Annotated Anodyne Fc1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1Br ZINC000587077648 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587077649 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587077650 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077660 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077661 KK Annotated Anodyne CCCCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077666 KK Annotated Anodyne CCCCCOc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077667 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587077678 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587077679 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077685 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077690 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587077691 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587077693 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587077703 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 ZINC000587077709 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 ZINC000587077710 KK Annotated Reactive N#Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1C(F)(F)F ZINC000587077723 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1Br ZINC000587077724 KK Annotated Mild N#Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1C(F)(F)F ZINC000587077728 KK Annotated Mild CC(C)COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077729 KK Annotated Anodyne CC(C)COc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077730 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587077742 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587077743 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587077787 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cn1 ZINC000587077789 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587077793 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587077794 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Br)cnc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077814 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Br)cnc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077819 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077822 KK Annotated Reactive FS(F)(F)(F)(F)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 ZINC000587077823 KK Annotated Reactive Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587077828 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587077830 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077831 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 ZINC000587077836 KK Annotated Anodyne Cc1onc(-c2nc3cc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)ccc3[nH]2)c1COc1ccc(Cl)cc1 ZINC000587077840 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c5c(nc6ccccc46)/C(=C/c4ccc(Cl)cc4)CC5)[nH]c3cc21 ZINC000587077866 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c5c(nc6ccccc46)/C(=C\c4ccc(Cl)cc4)CC5)[nH]c3cc21 ZINC000587077873 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077884 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077885 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077886 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077888 KK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077892 KK Annotated Anodyne Cc1cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2cc1Br ZINC000587077894 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587077896 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587077902 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 ZINC000587077917 KK Annotated Reactive CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587077919 KK Annotated Reactive CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587077922 KK Annotated Reactive CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077924 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587077925 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c21 ZINC000587077936 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c21 ZINC000587077939 KK Annotated Clean Fc1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077941 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c12 ZINC000587077943 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1C ZINC000587077949 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1C ZINC000587077956 KK Annotated Anodyne Clc1ccc(/C=C2/CCc3c2nc2ccccc2c3-c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587077979 KK Annotated Anodyne Clc1ccc(/C=C2\CCc3c2nc2ccccc2c3-c2nc3cc(I)cnc3[nH]2)cc1 ZINC000587077981 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3cc21 ZINC000587077986 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c(Cl)cc12 ZINC000587077991 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c(Cl)cc12 ZINC000587077992 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587078015 KK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587078016 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1 ZINC000587078019 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 ZINC000587078022 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078040 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078041 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(Br)ccc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078043 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(Br)ccc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078044 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078045 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078046 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078062 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC(C)C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078063 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(I)cc4[nH]3)c(Cl)cc12 ZINC000587078064 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(I)cc4[nH]3)c(Cl)cc12 ZINC000587078065 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078088 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078089 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc1-2 ZINC000587078095 KK Annotated Clean CCCOc1cc2nc([C@@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078096 KK Annotated Anodyne CCCOc1cc2nc([C@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078097 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078113 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078114 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(I)c4[nH]3)c(Cl)cc12 ZINC000587078123 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(I)c4[nH]3)c(Cl)cc12 ZINC000587078124 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078128 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(=O)OC)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078129 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(Cl)cc12 ZINC000587078130 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(Cl)cc12 ZINC000587078131 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(Cl)cc12 ZINC000587078137 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(Cl)cc12 ZINC000587078138 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078147 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078148 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(=O)OCC)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078151 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(=O)OCC)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078152 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078155 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078156 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(Cl)cc12 ZINC000587078159 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(Cl)cc12 ZINC000587078160 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c21 ZINC000587078187 KK Annotated Clean CCCCOc1cc2nc([C@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078189 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078190 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c(Cl)cc12 ZINC000587078204 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c(Cl)cc12 ZINC000587078205 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078216 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078217 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(Cl)cc12 ZINC000587078218 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c(Cl)cc12 ZINC000587078219 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(I)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078222 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(I)cnc(Cl)c4[nH]3)c(Cl)cc12 ZINC000587078223 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078225 KK Annotated Reactive CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 ZINC000587078226 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3cc21 ZINC000587078227 KK Annotated Clean Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)N2 ZINC000587078239 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(Cl)cc12 ZINC000587078243 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c(Cl)cc12 ZINC000587078244 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)c(Cl)cc12 ZINC000587078252 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)c(Cl)cc12 ZINC000587078253 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587078310 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078344 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078346 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078357 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2cc1Br ZINC000587078358 KK Annotated Mild CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078359 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078361 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c(Cl)cc12 ZINC000587078371 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)c(Cl)cc12 ZINC000587078372 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(Cl)cc12 ZINC000587078447 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c(Cl)cc12 ZINC000587078448 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078454 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078455 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c(Cl)cc12 ZINC000587078461 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)c(Cl)cc12 ZINC000587078462 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587078477 KK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c(Cl)cc12 ZINC000587078478 KK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078483 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c(Cl)cc12 ZINC000587078484 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(Cl)cc12 ZINC000587078485 KK Annotated Bother CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(Cl)cc12 ZINC000587078486 KK Annotated Bother CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078489 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)c(Cl)cc12 ZINC000587078490 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078518 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078519 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078520 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078521 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078563 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078564 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2c1 ZINC000587078592 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](C)Oc3cc4oc(=O)cc(CCC)c4cc3Cl)[nH]c2c1 ZINC000587078593 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c(Cl)cc12 ZINC000587078596 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c(Cl)cc12 ZINC000587078597 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078598 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c(Cl)cc12 ZINC000587078599 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078607 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c(Cl)cc12 ZINC000587078608 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c(Cl)cc12 ZINC000587078618 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c(Cl)cc12 ZINC000587078619 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c(Cl)cc12 ZINC000587078631 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)c(Cl)cc12 ZINC000587078632 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(Br)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078653 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(Br)c(Br)cc4[nH]3)c(Cl)cc12 ZINC000587078654 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587078679 KK Annotated Clean CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(I)cnc4[nH]3)c(Cl)cc12 ZINC000587078682 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(I)cnc4[nH]3)c(Cl)cc12 ZINC000587078683 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c(Cl)cc12 ZINC000587078698 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c(Cl)cc12 ZINC000587078699 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078700 KK Annotated Anodyne CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c(Cl)cc12 ZINC000587078701 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587078702 KK Annotated Mild Cc1onc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078762 KK Annotated Bother CCCCCOc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br ZINC000587078775 KK Annotated Bother Cc1onc(-c2nc3c(C(=O)Nc4ccc(C(F)(F)F)cc4)cccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587078843 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4noc(C)c4Cn4cc(Cl)c([N+](=O)[O-])n4)nc3cc21 ZINC000587078877 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc21 ZINC000587078891 KK Annotated Clean COC(=O)c1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2c(F)c1Nc1ccccc1 ZINC000587079016 KK Annotated Bother Cc1onc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079036 KK Annotated Reactive Cc1onc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079088 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4noc(C)c4Cn4cc(Cl)c([N+](=O)[O-])n4)nc3cc21 ZINC000587079136 KK Annotated Clean Cc1onc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079144 KK Annotated Bother CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)n1 ZINC000587079245 KK Annotated Anodyne CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)n1 ZINC000587079248 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)n4cc(Cl)cn4)[nH]c3cc21 ZINC000587079395 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4cc(Cl)cn4)[nH]c3cc21 ZINC000587079399 KK Annotated Clean N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587079713 KK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587079719 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587079743 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Br ZINC000587079748 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587079758 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)n3cc(Cl)cn3)[nH]c21 ZINC000587079807 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)n3cc(Cl)cn3)[nH]c21 ZINC000587079808 KK Annotated Clean Cc1onc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587079829 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1 ZINC000587079836 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br ZINC000587079899 KK Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587079923 KK Annotated Anodyne N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587079924 KK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)n1 ZINC000587079934 KK Annotated Clean CC[C@@H](C)n1cc(Cl)c(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)n1 ZINC000587079945 KK Annotated Clean CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)n1 ZINC000587079983 KK Annotated Anodyne CC[C@H](C)n1cc(Cl)c(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)n1 ZINC000587079987 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3cc21 ZINC000587080033 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3cc21 ZINC000587080049 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c21 ZINC000587080125 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080127 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3cc21 ZINC000587080321 KK Annotated Clean O=C(O)c1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587080369 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587080375 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 ZINC000587080426 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587080453 KK Annotated Reactive Cc1onc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080455 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc21 ZINC000587080462 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc21 ZINC000587080466 KK Annotated Anodyne Cc1onc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080488 KK Annotated Bother Oc1ccccc1-c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587080503 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc(-c6ccccc6)nc6c(Cl)cnn56)nc4c3)o2)cc1 ZINC000587080513 KK Annotated Anodyne N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587080519 KK Annotated Reactive N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587080520 KK Annotated Reactive CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)n1 ZINC000587080531 KK Annotated Bother CC[C@H](C)n1cc(Cl)c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)n1 ZINC000587080532 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3ccc4ccc(Cl)cc43)[nH]c21 ZINC000587080651 KK Annotated Clean Cc1onc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080652 KK Annotated Bother N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587080677 KK Annotated Bother N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587080678 KK Annotated Bother CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5Nc6ccc(Cl)cc6[C@H]6C=CC[C@H]65)[nH]c4c3)cc2)CC1 ZINC000587080782 KK Annotated Clean Cc1onc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587080805 KK Annotated Bother CC[C@H](C)n1cc(Cl)c(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)n1 ZINC000587080820 KK Annotated Clean CC[C@@H](C)n1cc(Cl)c(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)n1 ZINC000587080824 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587080845 KK Annotated Clean Oc1ccccc1-c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080868 KK Annotated Anodyne Clc1ncc(I)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 ZINC000587080884 KK Annotated Anodyne O=C(O)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587080905 KK Annotated Bother Oc1ccccc1-c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587080926 KK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587080977 KK Annotated Anodyne O=C(CCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)cn1 ZINC000587080996 KK Annotated Reactive C[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081017 KK Annotated Bother C[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1cc(Cl)cn1 ZINC000587081020 KK Annotated Bother Cc1onc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000587081031 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3noc(C)c3Cn3cc(Cl)c([N+](=O)[O-])n3)nc2cc1Br ZINC000587081044 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc21 ZINC000587081087 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc21 ZINC000587081108 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cn3ccc4ccc(Cl)cc43)nc1-2 ZINC000587081123 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc21 ZINC000587081155 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4Cc5cc(Cl)ccc5O4)[nH]c3cc21 ZINC000587081161 KK Annotated Clean Oc1ccccc1-c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081206 KK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587081232 KK Annotated Anodyne FC(F)(F)Oc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587081234 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 ZINC000587081259 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c21 ZINC000587081264 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c21 ZINC000587081265 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 ZINC000587081296 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2c1 ZINC000587081298 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c3cc21 ZINC000587081305 KK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587081310 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc21 ZINC000587081319 KK Annotated Clean Clc1cnn2c(-c3nc4c(Br)ccc(Br)c4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081329 KK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587081331 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3cc21 ZINC000587081344 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4c[nH]c5cc(Cl)ccc45)[nH]c3cc21 ZINC000587081345 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc3cc21 ZINC000587081362 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587081412 KK Annotated Clean O=C(O)c1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587081454 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c21 ZINC000587081534 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)n4cc(Cl)cn4)[nH]c3cc21 ZINC000587081535 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4cc(Cl)cn4)[nH]c3cc21 ZINC000587081544 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587081562 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587081564 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587081664 KK Annotated Clean Clc1cnn2c(-c3nc4cc(Br)c(Br)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081672 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587081691 KK Annotated Clean CC(C)Oc1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587081696 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c21 ZINC000587081712 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c21 ZINC000587081713 KK Annotated Clean CC(C)CCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587081720 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 ZINC000587081773 KK Annotated Reactive Clc1cnn2c(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081787 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5ccccc5)nc5c(Cl)cnn45)nc3cc21 ZINC000587081799 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c1 ZINC000587081864 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 ZINC000587081866 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2cc1Br ZINC000587081899 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587081927 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c(F)c1Nc1ccccc1 ZINC000587081936 KK Annotated Anodyne O=C(CCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587081951 KK Annotated Bother Clc1cnn2c(-c3nc4c(Br)ncc(Br)c4[nH]3)cc(-c3ccccc3)nc12 ZINC000587081956 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587081964 KK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2cccc(Cl)c2n1 ZINC000587081981 KK Annotated Reactive FC(F)(F)Oc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082018 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082020 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082021 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082029 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082032 KK Annotated Anodyne Oc1ccccc1-c1cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c2cccc(Cl)c2n1 ZINC000587082037 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082055 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3cc21 ZINC000587082066 KK Annotated Clean FC(F)(F)c1c(Br)ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 ZINC000587082172 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3cc21 ZINC000587082209 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c21 ZINC000587082211 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)nc2c1 ZINC000587082222 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082223 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc1-2 ZINC000587082239 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082245 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082315 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6ccccc6)nc6c(Cl)cccc56)[nH]c4c3)o2)cc1 ZINC000587082336 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587082361 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1Br ZINC000587082366 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082390 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3c2)cc1 ZINC000587082418 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587082423 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082430 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082439 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c3cc21 ZINC000587082452 KK Annotated Clean Cc1ccc(-c2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082456 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082474 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c21 ZINC000587082480 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082484 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccccc5O)nc5c(Cl)cccc45)[nH]c3cc21 ZINC000587082549 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccccc5)nc5c(Cl)cccc45)[nH]c3cc21 ZINC000587082574 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082586 KK Annotated Anodyne Clc1cnn(COc2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587082600 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082619 KK Annotated Anodyne O=C(CCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Cl)cn1 ZINC000587082624 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(OCn4cc(Cl)cn4)c3)nc1-2 ZINC000587082632 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587082644 KK Annotated Bother Cc1ccc(-c2cc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082659 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082673 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587082682 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587082683 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082691 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)nc1-2 ZINC000587082693 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587082695 KK Annotated Bother Cc1ccc(-c2cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082699 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c3cccc(Cl)c3n2)o1 ZINC000587082700 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 ZINC000587082715 KK Annotated Reactive COC(=O)c1cc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587082735 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587082741 KK Annotated Reactive O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 ZINC000587082824 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587082854 KK Annotated Bother FC(F)(F)c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2cc1Br ZINC000587082856 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc1-2 ZINC000587082858 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082863 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587082902 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3cc21 ZINC000587082914 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 ZINC000587082972 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 ZINC000587082980 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6ccccc6O)nc6c(Cl)cccc56)[nH]c4c3)o2)cc1 ZINC000587083048 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(-c6ccc(C)o6)nc6c(Cl)cccc56)[nH]c4c3)o2)cc1 ZINC000587083099 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2cc1Br ZINC000587083114 KK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587083115 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587083116 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083117 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587083131 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587083132 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083138 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c21 ZINC000587083139 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587083149 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587083178 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587083179 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(-c5ccc(C)o5)nc5c(Cl)cccc45)[nH]c3c2)cc1 ZINC000587083215 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083216 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083267 KK Annotated Anodyne CCCOc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083288 KK Annotated Anodyne CCCOc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083289 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083290 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083291 KK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587083308 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587083309 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587083312 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587083313 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccc(C)o5)nc5c(Cl)cccc45)[nH]c3cc21 ZINC000587083320 KK Annotated Clean CCCCCOc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083347 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083348 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083372 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3cc21 ZINC000587083383 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587083385 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587083386 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587083390 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587083391 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3cc21 ZINC000587083408 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587083418 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587083419 KK Annotated Bother Cc1ccc(-c2cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083425 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccc(C)o5)nc5c(Cl)cccc45)[nH]c3cc21 ZINC000587083453 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587083458 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)nc2c1 ZINC000587083459 KK Annotated Anodyne Cc1ccc(-c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 ZINC000587083463 KK Annotated Anodyne CCCCOc1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083465 KK Annotated Anodyne CCCCOc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2cc1Br ZINC000587083466 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587083483 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587083484 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(-c5ccc(C)o5)nc5c(Cl)cccc45)[nH]c3c2)cc1 ZINC000587083489 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(-c4ccc(C)o4)nc4c(Cl)cccc34)[nH]c2c1 ZINC000587083508 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc21 ZINC000587083532 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587083580 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587083586 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OC)nc4Cl)[nH]c3cc21 ZINC000587083635 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3cc21 ZINC000587083636 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OC)nc3Cl)[nH]c21 ZINC000587083637 KK Annotated Clean O=C(O)c1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587083655 KK Annotated Bother COc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(Cl)n1 ZINC000587083786 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1Br ZINC000587083856 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4cccc(Cl)n4)CC3)[nH]c21 ZINC000587083921 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Cl)c(Cl)n3)nc21 ZINC000587083944 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc21 ZINC000587083962 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3cc21 ZINC000587084277 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 ZINC000587084280 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc21 ZINC000587084281 KK Annotated Clean COc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(Cl)n1 ZINC000587084283 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)nc1-2 ZINC000587084302 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1Br ZINC000587084406 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 ZINC000587084417 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587084433 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(c5cccc(Cl)n5)CC4)[nH]c3cc21 ZINC000587084443 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3cc21 ZINC000587084476 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3cc21 ZINC000587084479 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587084503 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 ZINC000587084504 KK Annotated Reactive O=C(O)c1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587084678 KK Annotated Bother O=C(O)c1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587084751 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3cc21 ZINC000587084846 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4cc(Cl)ncc4c3)[nH]c21 ZINC000587084921 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc21 ZINC000587084938 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3cc21 ZINC000587085084 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 ZINC000587085111 KK Annotated Reactive CCCCCCCCOc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Br ZINC000587085116 KK Annotated Mild O=C(O)c1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587085144 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)nc4ccccc34)[nH]c21 ZINC000587085151 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 ZINC000587085167 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3cc21 ZINC000587085269 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(c4nccnc4Cl)CC3)[nH]c21 ZINC000587085356 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc4cc(Cl)ncc4c3)nc1-2 ZINC000587085365 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc21 ZINC000587085388 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Cl)nc4ccccc34)nc1-2 ZINC000587085422 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc21 ZINC000587085447 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3cc21 ZINC000587085457 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCN(c5nccnc5Cl)CC4)[nH]c3cc21 ZINC000587085466 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587085535 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 ZINC000587085677 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(Cl)nc3)[nH]c21 ZINC000587085698 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4ccccc4c(Cl)n3)[nH]c21 ZINC000587085709 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587085742 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc(Cl)nc4)[nH]c3cc21 ZINC000587085777 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587085967 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587085968 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587085986 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587085987 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587085998 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587085999 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587086014 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587086015 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587086035 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587086036 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587086039 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587086040 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nc(Cl)cnc4N)[nH]c3cc21 ZINC000587086077 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc21 ZINC000587086080 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587086101 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587086102 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc4ccccc4c(Cl)n3)nc1-2 ZINC000587086107 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc21 ZINC000587086113 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587086150 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(Cl)nc4)[nH]c3cc21 ZINC000587086254 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587086273 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587086274 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086275 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086276 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587086281 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587086282 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nc(Cl)cnc3N)[nH]c21 ZINC000587086291 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c21 ZINC000587086341 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c21 ZINC000587086342 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587086372 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587086373 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587086395 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587086396 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587086422 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587086423 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(I)cc2[nH]1 ZINC000587086451 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(I)cc2[nH]1 ZINC000587086452 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587086453 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587086454 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587086490 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(SC(F)(F)F)cc5[nH]4)(C3)C1)C2 ZINC000587086558 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)c(F)c(F)c5[nH]4)(C3)C1)C2 ZINC000587086573 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(F)cc(C(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587086589 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Br)C(C)(C)F)[nH]c3cc21 ZINC000587086595 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Br)C(C)(C)F)[nH]c3cc21 ZINC000587086596 KK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587086601 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc12 ZINC000587086603 KK Annotated Anodyne CCCCCOc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587086618 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)(C3)C1)C2 ZINC000587086626 KK Annotated Bother FC(Br)(Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587086653 KK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)(C3)C1)C2 ZINC000587086656 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587086663 KK Annotated Mild CC(C)COc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587086668 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587086678 KK Annotated Bother O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587086705 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(F)cc(Br)c5[nH]4)(C3)C1)C2 ZINC000587086717 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(I)cnc2[nH]1 ZINC000587086733 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(I)cnc2[nH]1 ZINC000587086739 KK Annotated Anodyne CCCOc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587086744 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(Cl)[nH]c4ccccc34)[nH]c21 ZINC000587086746 KK Annotated Clean O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)(C3)C1)C2 ZINC000587086793 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c21 ZINC000587086798 KK Annotated Clean Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587086799 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587086800 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C\c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3c2)cc1 ZINC000587086826 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(/C=C/c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3c2)cc1 ZINC000587086827 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086832 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587086833 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587086834 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587086836 KK Annotated Reactive Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587086894 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587086896 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(Br)Br)[nH]c3cc21 ZINC000587086911 KK Annotated Clean O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587086937 KK Annotated Mild CCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587086952 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Br)c(F)c5[nH]4)(C3)C1)C2 ZINC000587087021 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)c(F)cc5[nH]4)(C3)C1)C2 ZINC000587087045 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)cnc5[nH]4)(C3)C1)C2 ZINC000587087052 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(F)c(Br)c5[nH]4)(C3)C1)C2 ZINC000587087071 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)cc1 ZINC000587087077 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Br)cc5[nH]4)(C3)C1)C2 ZINC000587087093 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587087117 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)c(F)cc5[nH]4)(C3)C1)C2 ZINC000587087139 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587087142 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)(C3)C1)C2 ZINC000587087162 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CC56C[C@@H]7C[C@H](C5)CC(n5ncc(Cl)c(Cl)c5=O)(C7)C6)[nH]c4c3)o2)cc1 ZINC000587087177 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(S(=O)(=O)Nc6ccccc6Cl)cc5[nH]4)(C3)C1)C2 ZINC000587087181 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5[nH]c(O)nc(NCc6ccccc6)c-5n4)(C3)C1)C2 ZINC000587087196 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(S(=O)(=O)Nc6cccc(C(F)(F)F)c6)cc5[nH]4)(C3)C1)C2 ZINC000587087198 KK Annotated Anodyne CC(C)(F)[C@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587087211 KK Annotated Reactive Cc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587087214 KK Annotated Anodyne CC(C)(F)[C@@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587087216 KK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(I)c5[nH]4)(C3)C1)C2 ZINC000587087224 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087228 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(I)cnc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587087232 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(OC(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587087233 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(-n6cccn6)c(F)cc5[nH]4)(C3)C1)C2 ZINC000587087238 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)(C3)C1)C2 ZINC000587087241 KK Annotated Anodyne COC(=O)c1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587087245 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587087345 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587087346 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587087360 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587087363 KK Annotated Anodyne CC(C)CCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587087365 KK Annotated Mild Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587087367 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587087370 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587087375 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587087376 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587087392 KK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587087406 KK Annotated Mild O=C(O)c1cc2[nH]c(C(F)(Br)Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587087428 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587087436 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587087438 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587087456 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587087457 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587087459 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087462 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C(F)(Br)Br)[nH]c2cc1Br ZINC000587087490 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Sc6ccccc6)cc5[nH]4)(C3)C1)C2 ZINC000587087498 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(Br)c5[nH]4)(C3)C1)C2 ZINC000587087513 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087525 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(I)cc5[nH]4)(C3)C1)C2 ZINC000587087532 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6c(cc5[nH]4)OC(F)(F)O6)(C3)C1)C2 ZINC000587087543 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587087548 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)c(Br)cc5[nH]4)(C3)C1)C2 ZINC000587087562 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Br)c(O)c5[nH]4)(C3)C1)C2 ZINC000587087564 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587087572 KK Annotated Mild N#Cc1cc(Br)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587087573 KK Annotated Mild O=C(c1ccccc1)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587087574 KK Annotated Anodyne CCCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587087577 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(Br)Br)[nH]c3cc21 ZINC000587087593 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587087611 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587087654 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(S(=O)(=O)C(F)(F)F)cc5[nH]4)(C3)C1)C2 ZINC000587087675 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)(C3)C1)C2 ZINC000587087687 KK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(OC(F)(F)F)c(Cl)cc5[nH]4)(C3)C1)C2 ZINC000587087710 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c6ccccc6c6ccccc6c5[nH]4)(C3)C1)C2 ZINC000587087729 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3cc21 ZINC000587087732 KK Annotated Clean O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(S(=O)(=O)Nc6ccc(Cl)cc6)cc5[nH]4)(C3)C1)C2 ZINC000587087741 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587087742 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Br)C(C)(C)F)[nH]c3cc21 ZINC000587087814 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Br)C(C)(C)F)[nH]c3cc21 ZINC000587087815 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Br)C(C)(C)F)[nH]c21 ZINC000587087830 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Br)C(C)(C)F)[nH]c21 ZINC000587087831 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(Br)Br)[nH]c21 ZINC000587087841 KK Annotated Clean CC(C)COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2cc1Br ZINC000587087873 KK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587087882 KK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587087883 KK Annotated Mild O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587087887 KK Annotated Mild CC(C)CCOc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587087888 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587087897 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Br)ccc(Br)c5[nH]4)(C3)C1)C2 ZINC000587087899 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(OC(F)(F)F)cc5[nH]4)(C3)C1)C2 ZINC000587087924 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3cc21 ZINC000587087929 KK Annotated Clean O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(F)cnc(Br)c5[nH]4)(C3)C1)C2 ZINC000587087957 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5[nH]c(Cl)nc(C(F)(F)F)c-5n4)(C3)C1)C2 ZINC000587087961 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccnc(Br)c5[nH]4)(C3)C1)C2 ZINC000587087967 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)(C3)C1)C2 ZINC000587088020 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Br)cnc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587088023 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587088048 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c6cccnc6c6ncccc6c5[nH]4)(C3)C1)C2 ZINC000587088059 KK Annotated Bother O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(F)c(F)c(F)c(F)c5[nH]4)(C3)C1)C2 ZINC000587088060 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Cl)cc(Br)c5[nH]4)(C3)C1)C2 ZINC000587088077 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5c(C)nn(Cc6ccc(Cl)cc6)c5Cl)[nH]c4c3)o2)cc1 ZINC000587088085 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5c(C)nn(Cc6ccc(Cl)cc6)c5Cl)[nH]c4c3)o2)cc1 ZINC000587088088 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2c1 ZINC000587088089 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)cc(Cl)c5[nH]4)(C3)C1)C2 ZINC000587088096 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587088098 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088102 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c1 ZINC000587088104 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587088135 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587088138 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c21 ZINC000587088151 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c21 ZINC000587088154 KK Annotated Clean Nc1ccc(Oc2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)cc1 ZINC000587088164 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3cc21 ZINC000587088165 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3cc21 ZINC000587088166 KK Annotated Clean O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(OCc6ccccc6)cc5[nH]4)(C3)C1)C2 ZINC000587088175 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587088204 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587088205 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587088208 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587088209 KK Annotated Bother Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cccc(I)c2[nH]1 ZINC000587088220 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cccc(I)c2[nH]1 ZINC000587088221 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cncc(Br)c5[nH]4)(C3)C1)C2 ZINC000587088236 KK Annotated Anodyne CCCCOc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587088242 KK Annotated Anodyne Cc1c(Br)ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587088251 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3cc21 ZINC000587088261 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)(C3)C1)C2 ZINC000587088265 KK Annotated Anodyne Cc1c(Br)cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1C ZINC000587088269 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)(C3)C1)C2 ZINC000587088273 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6c(cc5[nH]4)OCCCO6)(C3)C1)C2 ZINC000587088278 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3c(Cl)[nH]c4ccccc34)nc1-2 ZINC000587088280 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)(C3)C1)C2 ZINC000587088285 KK Annotated Anodyne Cc1nc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2cc1Br ZINC000587088289 KK Annotated Anodyne N#Cc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1C(F)(F)F ZINC000587088297 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Br)nc5[nH]4)(C3)C1)C2 ZINC000587088301 KK Annotated Anodyne CC(C)Oc1cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2cc1Br ZINC000587088305 KK Annotated Anodyne Cc1cc(Br)cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c12 ZINC000587088306 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)cc(F)c5[nH]4)(C3)C1)C2 ZINC000587088322 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(Br)ncc5[nH]4)(C3)C1)C2 ZINC000587088327 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587088331 KK Annotated Bother O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)(C3)C1)C2 ZINC000587088333 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Cl)c(Br)cnc5[nH]4)(C3)C1)C2 ZINC000587088334 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)(C3)C1)C2 ZINC000587088340 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587088353 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Br)ccnc5[nH]4)(C3)C1)C2 ZINC000587088354 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(Br)cnc(Br)c5[nH]4)(C3)C1)C2 ZINC000587088359 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc1-2 ZINC000587088363 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)(C3)C1)C2 ZINC000587088366 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C(C[C@H]3CCCN3)=C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587088416 KK Annotated Bother O=C(O)c1cc2[nH]c(C(C[C@@H]3CCCN3)=C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587088417 KK Annotated Bother O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)(C3)C1)C2 ZINC000587088428 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587088435 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587088436 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587088452 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3c(C)nn(Cc4ccc(Cl)cc4)c3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587088453 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3c2)cc1 ZINC000587088484 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3c2)cc1 ZINC000587088485 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CC56C[C@@H]7C[C@H](C5)CC(n5ncc(Cl)c(Cl)c5=O)(C7)C6)[nH]c4c3)cc2)CC1 ZINC000587088545 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c21 ZINC000587088580 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3cc21 ZINC000587088620 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3cc21 ZINC000587088621 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587088633 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3cc21 ZINC000587088634 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4c(C)nn(Cc5ccc(Cl)cc5)c4Cl)[nH]c3cc21 ZINC000587088635 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(F)C(F)F)[nH]c21 ZINC000587088715 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 ZINC000587088783 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CC56C[C@@H]7C[C@H](C5)CC(n5ncc(Cl)c(Cl)c5=O)(C7)C6)[nH]c4c3)cc2)CC1 ZINC000587088792 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587088855 KK Annotated Reactive O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cc6nc7ccccc7nc6cc5[nH]4)(C3)C1)C2 ZINC000587088859 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c3cc21 ZINC000587088881 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3cc21 ZINC000587089000 KK Annotated Anodyne CCOC(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587089011 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587089027 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c4c3)o2)cc1 ZINC000587089088 KK Annotated Mild O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(Oc6ccccc6)cc5[nH]4)(C3)C1)C2 ZINC000587089163 KK Annotated Anodyne O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5cccc(OCc6ccccc6)c5[nH]4)(C3)C1)C2 ZINC000587089190 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)cc1 ZINC000587089193 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)[nH]c2c1 ZINC000587089202 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(CC45C[C@@H]6C[C@H](C4)CC(n4ncc(Cl)c(Cl)c4=O)(C6)C5)[nH]c3c2)cc1N ZINC000587089204 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C[C@@H]4CCCN4)=C(F)F)[nH]c3cc21 ZINC000587089213 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C[C@H]4CCCN4)=C(F)F)[nH]c3cc21 ZINC000587089214 KK Annotated Anodyne O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587089287 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)F)[nH]c3cc21 ZINC000587089309 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089320 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3cc21 ZINC000587089406 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3cc21 ZINC000587089413 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c21 ZINC000587089496 KK Annotated Mild COC(=O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587089542 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(F)c3ccccn3)[nH]c21 ZINC000587089585 KK Annotated Clean O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587089621 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)F)[nH]c3cc21 ZINC000587089626 KK Annotated Clean O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089629 KK Annotated Mild CC(C)(C)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587089639 KK Annotated Mild CCCCOc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089665 KK Annotated Mild O=C(O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089670 KK Annotated Mild Cc1cnc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089672 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2nc(Br)c[nH]c-2n1 ZINC000587089675 KK Annotated Mild O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089680 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587089689 KK Annotated Mild OCc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089694 KK Annotated Mild Nc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587089695 KK Annotated Mild Fc1cc(C(F)(F)F)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089705 KK Annotated Mild O=C(O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587089711 KK Annotated Mild Fc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(F)c1F ZINC000587089712 KK Annotated Mild O=C(O)c1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587089716 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)ccnc2[nH]1 ZINC000587089717 KK Annotated Mild Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1C ZINC000587089725 KK Annotated Mild Fc1cnc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089727 KK Annotated Mild CCCCCCCCOc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089729 KK Annotated Mild Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C ZINC000587089730 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587089741 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089747 KK Annotated Mild Cc1ccc2c(ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c32)n1 ZINC000587089753 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncc(Cl)c2[nH]1 ZINC000587089782 KK Annotated Mild Nc1ccnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089785 KK Annotated Mild Oc1nccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089788 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc21 ZINC000587089800 KK Annotated Mild Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587089809 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c3cc21 ZINC000587089813 KK Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587089817 KK Annotated Mild Nc1ccc(-c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1N ZINC000587089820 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587089829 KK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089832 KK Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587089835 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089840 KK Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089847 KK Annotated Mild Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587089849 KK Annotated Mild Cc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c(C)n1 ZINC000587089854 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587089855 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cnc2[nH]1 ZINC000587089856 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587089858 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncnc2[nH]1 ZINC000587089860 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)nc2[nH]1 ZINC000587089863 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587089864 KK Annotated Reactive FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)cc2[nH]1 ZINC000587089867 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587089868 KK Annotated Mild CCCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089869 KK Annotated Mild Cc1c(Cl)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089870 KK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089872 KK Annotated Mild Cc1c(Br)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089873 KK Annotated Mild O=[N+]([O-])c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089874 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587089876 KK Annotated Mild Cc1cc(C)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089881 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ncc[nH]c-2n1 ZINC000587089882 KK Annotated Mild Cc1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089884 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cccc(Br)c2[nH]1 ZINC000587089888 KK Annotated Mild Oc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089890 KK Annotated Mild CCCCCCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089891 KK Annotated Mild NNC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089893 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@](F)(Cl)C(F)(F)F)[nH]c3cc21 ZINC000587089894 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@](F)(Cl)C(F)(F)F)[nH]c3cc21 ZINC000587089895 KK Annotated Clean CCCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587089921 KK Annotated Mild OCCc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089923 KK Annotated Mild COC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587089933 KK Annotated Mild O=C(O)c1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587089935 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587089938 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587089940 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc21 ZINC000587089944 KK Annotated Mild CCc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089948 KK Annotated Mild Cc1ccc(C)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089949 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587089952 KK Annotated Mild NS(=O)(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089953 KK Annotated Mild N[C@H](N=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089954 KK Annotated Mild N[C@@H](N=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089955 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc21 ZINC000587089958 KK Annotated Mild COC(=O)c1ccnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089960 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Br ZINC000587089961 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(F)c4ccccn4)[nH]c3cc21 ZINC000587089963 KK Annotated Clean FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587089966 KK Annotated Mild Cc1cc(Cl)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089972 KK Annotated Mild FC(F)(F)c1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587089975 KK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587089982 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089983 KK Annotated Mild Fc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587089985 KK Annotated Mild Cc1c(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1C ZINC000587089986 KK Annotated Mild Cc1c(Br)cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587089987 KK Annotated Mild O=C(O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587089992 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnncc2[nH]1 ZINC000587089997 KK Annotated Mild Cc1c(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1C ZINC000587089998 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090002 KK Annotated Mild O=C(c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587090003 KK Annotated Mild O=C(c1ccccc1)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090004 KK Annotated Mild N=c1[nH]c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587090006 KK Annotated Mild Cc1nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Br ZINC000587090021 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587090022 KK Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587090027 KK Annotated Mild COC(=O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587090030 KK Annotated Mild Fc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090031 KK Annotated Mild CC(C)CCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090032 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)cc2[nH]1 ZINC000587090035 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c21 ZINC000587090039 KK Annotated Mild CCOC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090046 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587090047 KK Annotated Mild O=C(O)c1cc(F)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090055 KK Annotated Mild O=[N+]([O-])c1cncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090057 KK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090058 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Cl ZINC000587090067 KK Annotated Mild N=c1[nH]cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2[nH]1 ZINC000587090068 KK Annotated Mild Fc1c(Cl)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587090069 KK Annotated Mild Oc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090070 KK Annotated Mild Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090071 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587090072 KK Annotated Mild FC(F)(F)c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090073 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587090077 KK Annotated Mild COc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587090078 KK Annotated Mild COC(=O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587090079 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587090080 KK Annotated Reactive Fc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1-n1cccn1 ZINC000587090081 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c21 ZINC000587090086 KK Annotated Mild CCCCCOc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090087 KK Annotated Mild Fc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1Br ZINC000587090092 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(F)c4ccccn4)[nH]c3cc21 ZINC000587090094 KK Annotated Anodyne FC(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090103 KK Annotated Mild CC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090105 KK Annotated Mild Oc1nc(NCc2ccccc2)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2[nH]1 ZINC000587090114 KK Annotated Mild N#Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090115 KK Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C ZINC000587090119 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(Br)c2[nH]1 ZINC000587090126 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)cnc2[nH]1 ZINC000587090128 KK Annotated Mild FC(F)(F)Sc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090131 KK Annotated Mild CCCOc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090139 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1 ZINC000587090141 KK Annotated Mild COc1nccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090145 KK Annotated Mild Fc1cc(Cl)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090146 KK Annotated Mild Cc1c(F)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090148 KK Annotated Mild CCOC(=O)Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090151 KK Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587090155 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587090157 KK Annotated Mild Oc1nncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090159 KK Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc1-2 ZINC000587090169 KK Annotated Mild COc1cc(OC)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090173 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587090180 KK Annotated Mild FC(F)(F)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090181 KK Annotated Mild N#Cc1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090186 KK Annotated Mild Fc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587090189 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587090191 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnc3ccccc3c2[nH]1 ZINC000587090192 KK Annotated Mild COC(=O)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587090197 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587090200 KK Annotated Mild Cc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090224 KK Annotated Mild Oc1nc2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2[nH]1 ZINC000587090225 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(Cl)c2[nH]1 ZINC000587090230 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587090232 KK Annotated Mild O=[N+]([O-])c1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090242 KK Annotated Mild O=[N+]([O-])c1c(Br)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090243 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090247 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587090251 KK Annotated Mild COC(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090258 KK Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587090261 KK Annotated Mild Nc1nc(O)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587090262 KK Annotated Mild Oc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090263 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccnc(Br)c2[nH]1 ZINC000587090264 KK Annotated Mild Nc1ccc(Oc2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587090269 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587090270 KK Annotated Mild Nc1ncnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090271 KK Annotated Mild Cc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090273 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)ncc2[nH]1 ZINC000587090276 KK Annotated Mild CC1=C(c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587090277 KK Annotated Mild Oc1ncnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090278 KK Annotated Mild Cc1cncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090282 KK Annotated Mild COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1OC ZINC000587090283 KK Annotated Mild COc1cncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090284 KK Annotated Mild N#Cc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090285 KK Annotated Mild N#Cc1nc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2nc1C#N ZINC000587090288 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587090290 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccc(I)c2[nH]1 ZINC000587090293 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587090300 KK Annotated Mild Fc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090302 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587090307 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)ncc2[nH]1 ZINC000587090309 KK Annotated Mild Fc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090311 KK Annotated Mild FC(F)(F)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090321 KK Annotated Mild Cc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090322 KK Annotated Mild Fc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090323 KK Annotated Mild Fc1c(F)c(F)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1F ZINC000587090325 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(I)cnc2[nH]1 ZINC000587090327 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587090330 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1C(F)(F)F ZINC000587090336 KK Annotated Mild Cc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090337 KK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090338 KK Annotated Mild O=S(=O)(O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090343 KK Annotated Mild Cc1ccnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090345 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090346 KK Annotated Mild CC(C)(C)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090348 KK Annotated Mild CC(C)CCOc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090353 KK Annotated Mild CC(C)COc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090354 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090355 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090358 KK Annotated Mild Cc1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090360 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Br)nc2[nH]1 ZINC000587090363 KK Annotated Mild Fc1cnc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090366 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090367 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Br)ccnc2[nH]1 ZINC000587090372 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090378 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090379 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)ccnc2[nH]1 ZINC000587090380 KK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587090384 KK Annotated Mild Fc1cc(F)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090389 KK Annotated Mild CCCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090390 KK Annotated Mild Cc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090395 KK Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090397 KK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587090398 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587090401 KK Annotated Mild CSc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090402 KK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090404 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587090409 KK Annotated Reactive Fc1c(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587090410 KK Annotated Mild FC(F)(F)C(F)(F)c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587090413 KK Annotated Mild CN(C)CCOc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090414 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cccnc2[nH]1 ZINC000587090418 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(I)cc2[nH]1 ZINC000587090419 KK Annotated Mild CN(C)C(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090422 KK Annotated Mild CC(C)Oc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090430 KK Annotated Mild FC(F)(F)c1ncc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2[nH]1 ZINC000587090439 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccnc(Cl)c2[nH]1 ZINC000587090442 KK Annotated Mild Oc1c(Br)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090444 KK Annotated Mild Nc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1N ZINC000587090449 KK Annotated Mild Cc1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090450 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587090451 KK Annotated Mild Cc1nccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090453 KK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090456 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090457 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c21 ZINC000587090460 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587090463 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090469 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587090496 KK Annotated Mild COc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090499 KK Annotated Mild CC(C)Oc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090500 KK Annotated Mild Oc1nc(S)nc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587090501 KK Annotated Mild N#Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C#N ZINC000587090502 KK Annotated Mild FC(F)(F)Oc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090504 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cnccc2[nH]1 ZINC000587090505 KK Annotated Mild C=CCc1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090507 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(Cl)ncnc2[nH]1 ZINC000587090508 KK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090509 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587090513 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090514 KK Annotated Mild N#Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C(F)(F)F ZINC000587090515 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587090517 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587090518 KK Annotated Mild Nc1nccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090521 KK Annotated Mild Cc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587090522 KK Annotated Mild O=C1CCc2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2N1 ZINC000587090526 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090527 KK Annotated Mild CCCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090528 KK Annotated Mild CC(C)COc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090531 KK Annotated Mild Oc1nc(O)c2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587090532 KK Annotated Mild N#Cc1cc(Br)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090533 KK Annotated Mild Cc1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587090534 KK Annotated Mild N#Cc1nc(Cl)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090535 KK Annotated Mild CC(C)Oc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090537 KK Annotated Mild Cc1cc(F)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090539 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cncc(Br)c2[nH]1 ZINC000587090540 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090542 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3ccccc3cc2[nH]1 ZINC000587090543 KK Annotated Mild O=C(O)c1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090544 KK Annotated Mild Fc1cc(Br)cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090545 KK Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)C(F)(F)F ZINC000587090547 KK Annotated Mild FC1(F)Oc2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2O1 ZINC000587090549 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc3ncccc3c2[nH]1 ZINC000587090554 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587090555 KK Annotated Mild FC(F)(F)Oc1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090557 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587090559 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587090569 KK Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587090571 KK Annotated Mild O=C(O)c1cc2[nH]c([C@](F)(Cl)C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587090576 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587090577 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc21 ZINC000587090584 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587090593 KK Annotated Mild Fc1cnc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090611 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587090617 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587090618 KK Annotated Mild COC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1OC ZINC000587090625 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587090629 KK Annotated Mild CC(C)(C)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587090631 KK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587090634 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587090635 KK Annotated Mild O=C1COc2cc3[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cc2N1 ZINC000587090638 KK Annotated Mild COC(=O)c1cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1OC ZINC000587090644 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587090653 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587090660 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587090671 KK Annotated Mild CC(C)CCOc1cc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587090755 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@](F)(Cl)C(F)(F)F)[nH]c21 ZINC000587090843 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@](F)(Cl)C(F)(F)F)[nH]c21 ZINC000587090844 KK Annotated Clean CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Br)ccc(Br)c3[nH]2)CC1 ZINC000587090856 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587090864 KK Annotated Bother CC(C)CCOc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587090871 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c21 ZINC000587090874 KK Annotated Clean FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587090879 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587090887 KK Annotated Reactive CCCCCCCCOc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587090903 KK Annotated Mild CCCCOc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587090920 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c4c3)o2)cc1 ZINC000587090923 KK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587090931 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000587090943 KK Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c4cccnc4c4ncccc4c3[nH]2)CC1 ZINC000587090953 KK Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 ZINC000587090982 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3cc21 ZINC000587090985 KK Annotated Clean COC(=O)c1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587090986 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1 ZINC000587090992 KK Annotated Clean CCCCOc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587090996 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 ZINC000587091007 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 ZINC000587091008 KK Annotated Anodyne FC(F)(F)CSc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccn1 ZINC000587091013 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587091032 KK Annotated Mild COC(=O)c1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c(F)c1Nc1ccccc1 ZINC000587091039 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 ZINC000587091043 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)c(F)c(F)c3[nH]2)CC1 ZINC000587091051 KK Annotated Anodyne FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(I)cc2[nH]1 ZINC000587091060 KK Annotated Mild N=c1[nH]c2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2c(Cl)[nH]1 ZINC000587091063 KK Annotated Mild CC(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091067 KK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091071 KK Annotated Mild Nc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1N ZINC000587091072 KK Annotated Mild Cc1cc(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091074 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587091075 KK Annotated Mild Cc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C ZINC000587091079 KK Annotated Mild CC(C)Oc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091095 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc3ncccc3c2[nH]1 ZINC000587091099 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(F)(F)F ZINC000587091103 KK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(F)(F)F ZINC000587091106 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nn1CC(F)(F)F ZINC000587091109 KK Annotated Reactive FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(Br)nc2[nH]1 ZINC000587091121 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587091122 KK Annotated Mild Fc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1Br ZINC000587091125 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091129 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(F)(F)F ZINC000587091133 KK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(F)(F)F ZINC000587091138 KK Annotated Anodyne FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587091139 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)nc2c1 ZINC000587091140 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c21 ZINC000587091179 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587091204 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC1 ZINC000587091205 KK Annotated Anodyne Cc1cc(Cl)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091214 KK Annotated Mild FC(F)(F)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091216 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1-n1cccn1 ZINC000587091220 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3cc21 ZINC000587091229 KK Annotated Clean C=CCc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091237 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587091239 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587091250 KK Annotated Anodyne O=C(O)c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587091257 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3ncoc3CCC(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587091261 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587091264 KK Annotated Mild O=C(O)c1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587091272 KK Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587091283 KK Annotated Mild O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091285 KK Annotated Mild O=[N+]([O-])c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091288 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])n(CC(F)(F)F)n4)[nH]c3cc21 ZINC000587091293 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587091296 KK Annotated Mild Cc1c(Br)cnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091298 KK Annotated Mild Cc1c(Br)cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1C ZINC000587091299 KK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587091332 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c21 ZINC000587091347 KK Annotated Clean FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587091356 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587091387 KK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587091390 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)CC1 ZINC000587091393 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587091400 KK Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587091426 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC1 ZINC000587091427 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC1 ZINC000587091428 KK Annotated Bother CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Br)cnc(Cl)c3[nH]2)CC1 ZINC000587091433 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1 ZINC000587091439 KK Annotated Clean CC(C)Oc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587091440 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C#N)cc(Br)c3[nH]2)CC1 ZINC000587091449 KK Annotated Mild O=C(O)c1cc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587091452 KK Annotated Bother CC(C)(C)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587091454 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091457 KK Annotated Mild FC(F)(F)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091458 KK Annotated Mild O=C(c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587091463 KK Annotated Mild CC(C)(C)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091468 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cccc(I)c2[nH]1 ZINC000587091482 KK Annotated Mild Oc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091483 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(Cl)cc2[nH]1 ZINC000587091503 KK Annotated Mild FC(F)(F)c1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587091505 KK Annotated Mild N#Cc1nc(Cl)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091519 KK Annotated Mild COc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1OC ZINC000587091525 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091526 KK Annotated Mild CCOC(=O)Cc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091530 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(F)(F)F ZINC000587091537 KK Annotated Clean CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(F)(F)F ZINC000587091539 KK Annotated Clean Cc1cnc(Cl)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091540 KK Annotated Mild FC(F)(F)c1ncc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587091546 KK Annotated Mild Fc1c(F)c(F)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1F ZINC000587091557 KK Annotated Mild Fc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091558 KK Annotated Mild O=S(=O)(O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091569 KK Annotated Mild Cc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091577 KK Annotated Mild Cc1ccc(C)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091581 KK Annotated Mild FC(F)(F)c1cc(Cl)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587091592 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587091599 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587091602 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC1 ZINC000587091614 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587091617 KK Annotated Mild FC(F)(F)Oc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091622 KK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587091626 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091627 KK Annotated Mild CCCOc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587091629 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587091700 KK Annotated Bother FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587091701 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587091702 KK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587091714 KK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Cl)ncc(I)c2[nH]1 ZINC000587091717 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c21 ZINC000587091723 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C4(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)[nH]c3c2)cc1 ZINC000587091733 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587091754 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1 ZINC000587091759 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c21 ZINC000587091774 KK Annotated Clean CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)c(Br)cc3[nH]2)CC1 ZINC000587091791 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3cc21 ZINC000587091803 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Cl)c(Br)cnc3[nH]2)CC1 ZINC000587091824 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC1 ZINC000587091833 KK Annotated Bother FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587091837 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC1 ZINC000587091838 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 ZINC000587091842 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 ZINC000587091845 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cnccc2[nH]1 ZINC000587091856 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc21 ZINC000587091875 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(F)(F)F ZINC000587091879 KK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(F)(F)F ZINC000587091880 KK Annotated Anodyne COC(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587091885 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cnc3ccccc3c2[nH]1 ZINC000587091892 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587091895 KK Annotated Mild O=C(O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091896 KK Annotated Mild Fc1cnc(Cl)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091901 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Cl)ccnc2[nH]1 ZINC000587091906 KK Annotated Mild Cc1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1[N+](=O)[O-] ZINC000587091910 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(I)cnc2[nH]1 ZINC000587091915 KK Annotated Mild CN(C)S(=O)(=O)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091918 KK Annotated Mild Cc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587091919 KK Annotated Mild Fc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(F)c1F ZINC000587091921 KK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587091922 KK Annotated Mild Cc1ccnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587091927 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3cc21 ZINC000587091929 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587091931 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587091936 KK Annotated Mild CCCCCCCCOc1cc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587091937 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587091943 KK Annotated Mild Cc1cncc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587091956 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587091966 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2cc1Br ZINC000587092002 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3cc21 ZINC000587092034 KK Annotated Clean CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000587092056 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1 ZINC000587092078 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3cc21 ZINC000587092137 KK Annotated Clean FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587092144 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ncoc3CCC(F)(F)F)[nH]c21 ZINC000587092190 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2cc1Br ZINC000587092194 KK Annotated Mild CC(C)COc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587092211 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587092256 KK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2cc1Br ZINC000587092257 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)[nH]c3cc21 ZINC000587092259 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(Br)cnc(Br)c3[nH]2)CC1 ZINC000587092277 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(I)cnc(Cl)c3[nH]2)CC1 ZINC000587092284 KK Annotated Anodyne CC(C)CCOc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587092297 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc1-2 ZINC000587092299 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC1 ZINC000587092305 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3cc21 ZINC000587092312 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587092329 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587092330 KK Annotated Mild Fc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587092334 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587092351 KK Annotated Mild FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587092353 KK Annotated Anodyne Oc1nccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092357 KK Annotated Mild COc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587092364 KK Annotated Mild Fc1cnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587092372 KK Annotated Mild Cc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587092374 KK Annotated Mild COc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1F ZINC000587092376 KK Annotated Mild CCCCCOc1cc2nc([C@@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587092377 KK Annotated Anodyne CCCCCOc1cc2nc([C@](N)(c3ccccc3OCC)C(F)(F)F)[nH]c2cc1Br ZINC000587092378 KK Annotated Anodyne COC(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1OC ZINC000587092381 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587092382 KK Annotated Mild CN(C)C(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587092383 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccnc(Cl)c2[nH]1 ZINC000587092384 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587092387 KK Annotated Mild COc1nccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092390 KK Annotated Mild FC(F)(F)c1nc(Cl)[nH]c2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc1-2 ZINC000587092397 KK Annotated Mild Cc1cc(C)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587092400 KK Annotated Mild CN(C)CCOc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587092401 KK Annotated Mild N#Cc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092402 KK Annotated Mild Cc1cnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587092407 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(Cl)nc2[nH]1 ZINC000587092413 KK Annotated Mild O=C(O)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092423 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Br ZINC000587092425 KK Annotated Mild Nc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587092427 KK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(F)(F)F ZINC000587092428 KK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(F)(F)F ZINC000587092435 KK Annotated Anodyne FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587092444 KK Annotated Mild O=C(O)c1cc(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092450 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(F)(F)F ZINC000587092455 KK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(F)(F)F ZINC000587092457 KK Annotated Anodyne COc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587092459 KK Annotated Mild O=C1CCc2cc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2N1 ZINC000587092486 KK Annotated Mild CN(C)S(=O)(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587092489 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc21 ZINC000587092492 KK Annotated Mild Fc1c(Br)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092496 KK Annotated Mild Oc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092499 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ncoc4CCC(F)(F)F)[nH]c3cc21 ZINC000587092501 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(C(F)(F)F)nc4OCC(F)(F)F)nc3c2)cc1 ZINC000587092533 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccnc(SCC(F)(F)F)c3)nc1-2 ZINC000587092561 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC5)[nH]c4c3)cc2)CC1 ZINC000587092602 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 ZINC000587092606 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 ZINC000587092607 KK Annotated Anodyne FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587092618 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 ZINC000587092622 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 ZINC000587092633 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC1 ZINC000587092644 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2c1 ZINC000587092648 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC1 ZINC000587092668 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3cc21 ZINC000587092694 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc1-2 ZINC000587092696 KK Annotated Mild FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587092700 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CC1 ZINC000587092705 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 ZINC000587092714 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc21 ZINC000587092743 KK Annotated Clean CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587092775 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC1 ZINC000587092779 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)[nH]c3cc21 ZINC000587092784 KK Annotated Clean FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)ncc(Br)c2[nH]1 ZINC000587092785 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC1 ZINC000587092794 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c21 ZINC000587092795 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(C4(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC4)[nH]c3c2)cc1 ZINC000587092800 KK Annotated Anodyne CCCCCOc1cc2nc(C3(OCC(F)(F)F)CCN(C(=O)OC(C)(C)C)CC3)[nH]c2cc1Br ZINC000587092808 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c32)n1 ZINC000587092833 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC1 ZINC000587092834 KK Annotated Anodyne Cc1csc([C@@](O)(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C(F)(F)F)n1 ZINC000587092842 KK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C(F)(F)F)n1 ZINC000587092845 KK Annotated Anodyne COC(=O)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092846 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)ncc2[nH]1 ZINC000587092852 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587092853 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587092858 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Br)ncc2[nH]1 ZINC000587092868 KK Annotated Mild COC(=O)c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587092869 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Cl)ncnc2[nH]1 ZINC000587092876 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587092892 KK Annotated Mild O=C(O)c1cc(F)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092906 KK Annotated Mild COc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587092911 KK Annotated Mild COc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092913 KK Annotated Mild Nc1nccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587092916 KK Annotated Mild Fc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587092918 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(Br)cc2[nH]1 ZINC000587092935 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587092937 KK Annotated Mild Nc1ccnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587092942 KK Annotated Mild FC(F)(F)Oc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587092944 KK Annotated Mild Cc1nc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Br ZINC000587092946 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c21 ZINC000587092950 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c21 ZINC000587092955 KK Annotated Clean Oc1nc2cc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2[nH]1 ZINC000587092966 KK Annotated Mild O=[N+]([O-])c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1[N+](=O)[O-] ZINC000587092967 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cccc(Cl)c2[nH]1 ZINC000587092968 KK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587092969 KK Annotated Reactive CCOc1ccccc1[C@@](N)(c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F ZINC000587092972 KK Annotated Reactive Nc1ccc(-c2ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1N ZINC000587092973 KK Annotated Mild Fc1cc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587092987 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587093002 KK Annotated Mild Fc1cc(F)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093008 KK Annotated Mild Fc1cnc(Br)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587093009 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587093019 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587093022 KK Annotated Mild Fc1cc(Cl)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093023 KK Annotated Mild Cc1c(Cl)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093026 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587093035 KK Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)N1CCOCC1 ZINC000587093042 KK Annotated Mild CSc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093043 KK Annotated Mild CC1=C(c2ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)NNC(=O)C1 ZINC000587093046 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587093047 KK Annotated Mild COc1cncc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093048 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3cc21 ZINC000587093062 KK Annotated Anodyne FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587093223 KK Annotated Mild COc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C ZINC000587093225 KK Annotated Mild COC(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093233 KK Annotated Mild FC(F)(F)Oc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093236 KK Annotated Mild O=[N+]([O-])c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093237 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc3ccccc3cc2[nH]1 ZINC000587093246 KK Annotated Mild Fc1cc(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093248 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093252 KK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(F)(F)F ZINC000587093257 KK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(F)(F)F ZINC000587093262 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587093266 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cncc(Br)c2[nH]1 ZINC000587093272 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(F)(F)F ZINC000587093276 KK Annotated Anodyne CCOc1ccccc1[C@](N)(c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(F)(F)F ZINC000587093279 KK Annotated Anodyne OCc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093282 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Cl ZINC000587093288 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093293 KK Annotated Mild FC(F)(F)Sc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093305 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587093318 KK Annotated Mild Oc1nc(S)nc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587093321 KK Annotated Mild CCOC(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093335 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587093336 KK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093337 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)[nH]c3cc21 ZINC000587093345 KK Annotated Clean FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587093347 KK Annotated Mild FC(F)(F)c1cc(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093350 KK Annotated Mild O=S(=O)(c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1)C(F)(F)F ZINC000587093351 KK Annotated Mild FC(F)(F)c1cnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093352 KK Annotated Mild O=[N+]([O-])c1cnc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093360 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccccc2[nH]1 ZINC000587093377 KK Annotated Mild O=C(c1ccccc1)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093384 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587093387 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587093391 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Br)cnc2[nH]1 ZINC000587093405 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 ZINC000587093407 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587093409 KK Annotated Mild Nc1ccc(Oc2ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587093412 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cnncc2[nH]1 ZINC000587093436 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c21 ZINC000587093448 KK Annotated Mild COC(=O)c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cn1 ZINC000587093457 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cc1Br ZINC000587093471 KK Annotated Mild Cc1csc([C@@](O)(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C(F)(F)F)n1 ZINC000587093541 KK Annotated Mild Cc1csc([C@](O)(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C(F)(F)F)n1 ZINC000587093544 KK Annotated Mild Fc1c(Cl)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587093578 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093579 KK Annotated Mild Cc1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c(C)n1 ZINC000587093580 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccnc(Br)c2[nH]1 ZINC000587093581 KK Annotated Mild CCc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093584 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587093585 KK Annotated Reactive OCCc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093586 KK Annotated Mild CCOc1ccccc1[C@](N)(c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(F)(F)F ZINC000587093593 KK Annotated Bother CCOc1ccccc1[C@@](N)(c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(F)(F)F ZINC000587093594 KK Annotated Bother CCOc1ccccc1[C@](N)(c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093595 KK Annotated Anodyne CCOc1ccccc1[C@@](N)(c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(F)(F)F ZINC000587093596 KK Annotated Anodyne N#Cc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C#N ZINC000587093599 KK Annotated Mild N#Cc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093600 KK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Br ZINC000587093601 KK Annotated Mild FC1(F)Oc2cc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3cc2O1 ZINC000587093604 KK Annotated Mild Cc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587093608 KK Annotated Mild O=[N+]([O-])c1cncc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093611 KK Annotated Mild Cc1nccc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc12 ZINC000587093631 KK Annotated Mild Cc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1C ZINC000587093632 KK Annotated Mild N[C@H](N=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093639 KK Annotated Mild N[C@@H](N=O)c1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 ZINC000587093640 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587093641 KK Annotated Mild COC(=O)c1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1OC ZINC000587093648 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587093649 KK Annotated Mild Fc1cc2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1C(F)(F)F ZINC000587093656 KK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093663 KK Annotated Mild O=C1COc2cc3[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cc2N1 ZINC000587093664 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587093665 KK Annotated Mild Cc1cc(F)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093670 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c21 ZINC000587093681 KK Annotated Clean CCCCCCCCOc1cc2nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587093765 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c2cc1Br ZINC000587093766 KK Annotated Mild FC(F)(F)c1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1Cl ZINC000587093816 KK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093817 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cccnc2[nH]1 ZINC000587093822 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c3c2)cc1 ZINC000587093823 KK Annotated Mild Cc1ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2n1 ZINC000587093826 KK Annotated Mild N#Cc1cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc1C(F)(F)F ZINC000587093827 KK Annotated Mild CC(C)(C)c1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093839 KK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000587093840 KK Annotated Mild Fc1cccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093843 KK Annotated Mild CCOc1ccccc1[C@@](N)(c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(F)(F)F ZINC000587093844 KK Annotated Clean CCOc1ccccc1[C@](N)(c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(F)(F)F ZINC000587093847 KK Annotated Clean Cc1c(F)ccc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587093848 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cncc(Cl)c2[nH]1 ZINC000587093860 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2nc(Br)c[nH]c-2n1 ZINC000587093863 KK Annotated Mild Oc1nc(NCc2ccccc2)c2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc-2[nH]1 ZINC000587093870 KK Annotated Mild Fc1c(Br)cc2nc(C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1F ZINC000587093886 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587093887 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587093892 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(Cl)cnc2[nH]1 ZINC000587093901 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cncnc2[nH]1 ZINC000587093909 KK Annotated Mild FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587093910 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4C(F)(F)F)[nH]c3cc21 ZINC000587093932 KK Annotated Clean FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587094020 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c21 ZINC000587094116 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@](O)(c3nc(C)cs3)C(F)(F)F)[nH]c21 ZINC000587094117 KK Annotated Clean Cc1csc([C@](O)(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C(F)(F)F)n1 ZINC000587094212 KK Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C(F)(F)F)n1 ZINC000587094213 KK Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094244 KK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C(F)(F)F)n1 ZINC000587094245 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c3cc21 ZINC000587094268 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c3cc21 ZINC000587094269 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3cc21 ZINC000587094429 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3cc21 ZINC000587094433 KK Annotated Clean FC(F)(F)c1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587094595 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c3cc21 ZINC000587094678 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c3cc21 ZINC000587094679 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3cc21 ZINC000587094726 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3cc21 ZINC000587094727 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc1-2 ZINC000587094794 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c21 ZINC000587094816 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)[nH]c3cc21 ZINC000587094841 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 ZINC000587094849 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587094959 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 ZINC000587094980 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)[nH]c3cc21 ZINC000587094996 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 ZINC000587095023 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)[nH]c3cc21 ZINC000587095037 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(N)cc4C(F)(F)F)[nH]c3cc21 ZINC000587095095 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 ZINC000587095143 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)[nH]c3c2)cc1 ZINC000587095157 KK Annotated Anodyne Cc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1C(F)(F)F ZINC000587095191 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@@](O)(c5nc(C)cs5)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587095231 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@](O)(c5nc(C)cs5)C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587095237 KK Annotated Anodyne Cc1csc([C@](O)(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587095252 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587095266 KK Annotated Bother Cc1csc([C@@](O)(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 ZINC000587095268 KK Annotated Reactive Cc1ccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1C(F)(F)F ZINC000587095332 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587095395 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cc1Br ZINC000587095419 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)[nH]c4c3)o2)cc1 ZINC000587095438 KK Annotated Anodyne Cc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1C(F)(F)F ZINC000587095566 KK Annotated Anodyne Nc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095631 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(N)cc3C(F)(F)F)[nH]c21 ZINC000587095699 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c21 ZINC000587095716 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(C)c(C(F)(F)F)c4)[nH]c3cc21 ZINC000587095736 KK Annotated Clean Nc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587095755 KK Annotated Bother COC(=O)c1ccc(OCCOc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587095826 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(C)c(C(F)(F)F)c4)[nH]c3cc21 ZINC000587095830 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(N)cc4C(F)(F)F)[nH]c3cc21 ZINC000587095884 KK Annotated Clean Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H]4CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]1C(=O)O)-c1ccccc1C2=O ZINC000587095910 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@@H]41)-c1ccccc1C2=O ZINC000587095914 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H]4CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587095916 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H]4CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587095917 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O ZINC000587096036 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)[C@H]41)-c1ccccc1C2=O ZINC000587096037 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)[C@H]41)-c1ccccc1C2=O ZINC000587096038 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O ZINC000587096039 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2c(C)ccc3c2c1-c1ccccc1C3=O)CC(OC)=CC4 ZINC000587096162 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587096173 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587096182 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587096205 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587096226 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587096279 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC1(CCN(C(=O)OCc3ccccc3)CC1)C4)-c1ccccc1C2=O ZINC000587096280 KK Annotated Anodyne Cc1ccc2c3c(c(CCN4CCC(OC(c5ccccc5)c5ccccc5)CC4)c(-c4ccc(C(C)(C)C(=O)O)cc4)nc13)-c1ccccc1C2=O ZINC000587096320 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)[C@@]12C ZINC000587096331 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)[C@H]1C4)-c1ccccc1C2=O ZINC000587096343 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)[C@@H]1C4)-c1ccccc1C2=O ZINC000587096345 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)[C@H]1C4)-c1ccccc1C2=O ZINC000587096346 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)[C@@H]1C4)-c1ccccc1C2=O ZINC000587096347 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4c(O)cc(OCc5ccccc5)cc4OCc4ccccc4)nc13)-c1ccccc1C2=O ZINC000587096349 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)C[C@H]5Nc6ccccc6NC5=O)cc4)nc13)-c1ccccc1C2=O ZINC000587096372 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(NC(=O)C[C@@H]5Nc6ccccc6NC5=O)cc4)nc13)-c1ccccc1C2=O ZINC000587096373 KK Annotated Anodyne Cc1ccc(-c2nc3c(C)ccc4c3c(c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)-c2ccccc2C4=O)cc1 ZINC000587096385 KK Annotated Anodyne Cc1ccc(-c2nc3c(C)ccc4c3c(c2[C@H](C(=O)O)c2cn(C)c3ccccc23)-c2ccccc2C4=O)cc1 ZINC000587096389 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/c2nc4c(C)ccc5c4c(c2CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)-c1ccccc1C5=O ZINC000587096395 KK Annotated Mild CCOC(=O)C(Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC(C)C)C(=O)OCC ZINC000587096431 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c2)c1 ZINC000587096450 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H]1C[C@@H](O)CC[C@]1(C)[C@H]1C[C@H]3[C@@H]5CN6C[C@@H](C)CC[C@H]6[C@@](C)(O)[C@@H]5CC[C@H]3[C@H]41)-c1ccccc1C2=O ZINC000587096469 KK Annotated Anodyne C[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587096502 KK Annotated Bother C[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587096503 KK Annotated Bother Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H](C4)CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]1C(=O)O)-c1ccccc1C2=O ZINC000587096620 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@H]1[C@@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587096624 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@@H](C4)CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587096628 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1[C@H](C4)CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587096629 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)-c1ccccc1C7=O ZINC000587096631 KK Annotated Mild COC1CC(C)(C)N(CCOC(=O)CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)C(C)(C)C1 ZINC000587096648 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587096657 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3cc21 ZINC000587096680 KK Annotated Clean COc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587096710 KK Annotated Bother Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)C[C@@H]41)-c1ccccc1C2=O ZINC000587096713 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)C[C@H]41)-c1ccccc1C2=O ZINC000587096718 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)C[C@H]41)-c1ccccc1C2=O ZINC000587096721 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)C[C@@H]41)-c1ccccc1C2=O ZINC000587096727 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O ZINC000587096732 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)nc13)-c1ccccc1C2=O ZINC000587096734 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)[C@@H]41)-c1ccccc1C2=O ZINC000587096736 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@H](C(=O)O)[C@H]41)-c1ccccc1C2=O ZINC000587096739 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CN(C(=O)OCC3c5ccccc5-c5ccccc53)[C@@H](C(=O)O)[C@H]41)-c1ccccc1C2=O ZINC000587096742 KK Annotated Anodyne CC[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587096744 KK Annotated Anodyne CC[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587096750 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587096758 KK Annotated Anodyne COC(=O)[C@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096760 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587096763 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc(-c5cccc(OCc6ccccc6)c5)cc4)nc13)-c1ccccc1C2=O ZINC000587096771 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587096835 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)-c1ccccc1C7=O ZINC000587096854 KK Annotated Mild Cc1ccc2c3c(c([C@@H](C(=O)O)c4cn(C)c5ccccc45)c(-c4ccc(C5CCCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587096906 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](C(=O)O)c4cn(C)c5ccccc45)c(-c4ccc(C5CCCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587096907 KK Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096952 KK Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@@H](O)COc1cccc(O)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587096953 KK Annotated Anodyne COC(=O)[C@@]1(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587097123 KK Annotated Anodyne COC(=O)[C@]1(CCc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587097128 KK Annotated Anodyne C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587097134 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c21 ZINC000587097149 KK Annotated Clean Cc1ccc2c3c(cc(-c4ccc(N5CCN(C(=O)CN(CC(=O)O)c6ccccc6)CC5)cc4)nc13)-c1ccccc1C2=O ZINC000587097159 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4C(=O)C(=O)N(CCC(=O)O)[C@H]4c4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587097161 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)C(=O)N(CCC(=O)O)[C@H]4c4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587097166 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)C(=O)N(CCC(=O)O)[C@@H]4c4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587097169 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4C(=O)C(=O)N(CCC(=O)O)[C@@H]4c4ccc(C(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587097172 KK Annotated Anodyne C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587097187 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587097192 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587097194 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587097196 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587097199 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587097206 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CN(C(=O)OCC1c3ccccc3-c3ccccc31)CC4)-c1ccccc1C2=O ZINC000587097218 KK Annotated Anodyne CCOC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587097258 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@H]1C4)-c1ccccc1C2=O ZINC000587097338 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587097342 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@@H]1C4)-c1ccccc1C2=O ZINC000587097346 KK Annotated Anodyne CCCCCCCCCCCCCc1nc2c(C)ccc3c2c(c1CCC(=O)OC)-c1ccccc1C3=O ZINC000587097348 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@H]1C4)-c1ccccc1C2=O ZINC000587097349 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(C)ccc5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587097355 KK Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(C(F)(F)F)c1 ZINC000587097356 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097361 KK Annotated Mild COc1c(C)c(O)c(C)c(O)c1-c1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O ZINC000587097362 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(C)ccc5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587097363 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(C)ccc5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587097364 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(C)ccc5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587097365 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3cc21 ZINC000587097371 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cccc(C5CCN(C(=O)OC(C)(C)C)CC5)c4)nc13)-c1ccccc1C2=O ZINC000587097377 KK Annotated Anodyne COc1cc(CC[C@@H](O)Cc2nc3c(C)ccc4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000587097395 KK Annotated Anodyne COc1cc(CC[C@H](O)Cc2nc3c(C)ccc4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000587097397 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097398 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c21 ZINC000587097463 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c21 ZINC000587097464 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(F)c3C(F)(F)F)nc1-2 ZINC000587097585 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587097722 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587097768 KK Annotated Bother COC1CC(C)(C)N(CCOC(=O)Cc2c(C)nc3c(C)ccc4c3c2-c2ccccc2C4=O)C(C)(C)C1 ZINC000587097782 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587097787 KK Annotated Bother Cc1ccc2c3c(cc(C[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587097791 KK Annotated Bother Cc1ccc2c3c(cc(C[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587097792 KK Annotated Bother Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587097793 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587097794 KK Annotated Bother COC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587097821 KK Annotated Bother COC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587097839 KK Annotated Bother COC(=O)[C@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587097841 KK Annotated Bother COC(=O)[C@@H](c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587097843 KK Annotated Bother C[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097846 KK Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1C(F)(F)F ZINC000587097848 KK Annotated Anodyne CCCCCCc1nc2c(C)ccc3c2c(c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)-c1ccccc1C3=O ZINC000587097885 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@H]1[C@@H](C(=O)O)N(C(=O)OCC3c5ccccc5-c5ccccc53)C[C@@H]41)-c1ccccc1C2=O ZINC000587097970 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1[C@@H]4CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]1C(=O)O)-c1ccccc1C2=O ZINC000587097972 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1[C@@H]4CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587097976 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@H]1[C@H]4CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]1C(=O)O)-c1ccccc1C2=O ZINC000587097978 KK Annotated Anodyne CCOC(=O)C1CCN(c2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2[N+](=O)[O-])CC1 ZINC000587097987 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(F)c3C(F)(F)F)[nH]c21 ZINC000587098059 KK Annotated Clean COC(=O)c1ccc(OCCCOc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587098069 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)[C@@H]5c6c[nH]c7cccc(c67)C[C@H]5C(C)(C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098103 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)[C@H]5c6c[nH]c7cccc(c67)C[C@H]5C(C)(C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098106 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)[C@H]5c6c[nH]c7cccc(c67)C[C@@H]5C(C)(C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098110 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H]4C(=O)[C@@H]5c6c[nH]c7cccc(c67)C[C@@H]5C(C)(C)N(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587098114 KK Annotated Anodyne CCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098210 KK Annotated Anodyne Cc1ccc2c3c(c(CCN4CCC(OC(c5ccccc5)c5ccccc5)CC4)c(-c4ccc(C(C)(C)C)cc4)nc13)-c1ccccc1C2=O ZINC000587098250 KK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1[N+](=O)[O-] ZINC000587098280 KK Annotated Bother Cc1ccc2c3c(c(CCCC4OCCO4)c([C@H]4CCCN4C(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O ZINC000587098283 KK Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098299 KK Annotated Anodyne COc1cc(O)c(OC)c(O)c1-c1nc2c(C)ccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O ZINC000587098341 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587098351 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587098399 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587098408 KK Annotated Mild COC(=O)c1cccc(OCCOc2ccc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000587098420 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587098453 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587098481 KK Annotated Mild CCCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCCCCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098518 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OC)cc4C(F)(F)F)[nH]c3cc21 ZINC000587098581 KK Annotated Clean COc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C(F)(F)F)c1 ZINC000587098602 KK Annotated Anodyne C[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1ccccc1C(F)(F)F ZINC000587098604 KK Annotated Anodyne C[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1ccccc1C(F)(F)F ZINC000587098609 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587098693 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587098694 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)c4ccccc4C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587098723 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccccc4C(F)(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587098724 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587098750 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587098823 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@H](OC(=O)CCC(C)C)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587098918 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587098930 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587098933 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587098936 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587098938 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587098948 KK Annotated Bother Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587098951 KK Annotated Bother Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587098954 KK Annotated Bother CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587098955 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587098957 KK Annotated Bother CCCCCCCCCCCCc1c(CCCC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587098992 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587099065 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)COC54CN(C(=O)OC(C)(C)C)C4)nc13)-c1ccccc1C2=O ZINC000587099067 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587099068 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 ZINC000587099096 KK Annotated Mild Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)-c2nc3c(C)ccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587099107 KK Annotated Clean CCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099116 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)Cc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587099117 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4cc(N5CCN(C(=O)OC(C)(C)C)CC5)ccc4[N+](=O)[O-])nc13)-c1ccccc1C2=O ZINC000587099214 KK Annotated Bother CCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099233 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099236 KK Annotated Mild CCCCCCc1nc2c(C)ccc3c2c(c1CCCCCCCCCC(=O)OC)-c1ccccc1C3=O ZINC000587099247 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6c(C)ccc7c6c5-c5ccccc5C7=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000587099266 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4Cc5c(nc6c(C)ccc7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587099272 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587099273 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)CC[C@]1(C)[C@H]3CC[C@]5(C)[C@@H](OC(=O)c6ccccc6)CC[C@H]5[C@@H]3CC[C@@H]41)-c1ccccc1C2=O ZINC000587099291 KK Annotated Anodyne COC(=O)CCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099292 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4Cc5c(nc6c(C)ccc7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587099303 KK Annotated Anodyne CCCCCc1c(CCCCCCCCCCC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099319 KK Annotated Anodyne COc1cc(CCC(=O)Cc2nc3c(C)ccc4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000587099330 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC[C@@H]3[C@H](CC[C@]5(C)[C@@H](OC(=O)c6ccccc6)CC[C@@H]35)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587099341 KK Annotated Anodyne COc1cc(O)c(-c2nc3c(C)ccc4c3c(c2Cc2ccccc2)-c2ccccc2C4=O)c(O)c1OC ZINC000587099342 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587099376 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587099411 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4Cc5c(nc6c(C)ccc7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587099415 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3C(=CCc5cc(OC(=O)c6ccccc6)ccc53)[C@@H]1C4)-c1ccccc1C2=O ZINC000587099482 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5c(C)ccc6c5c(c4C[C@@]3(C)[C@@H]21)-c1ccccc1C6=O ZINC000587099485 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5c(C)ccc6c5c(c4C[C@]3(C)[C@@H]21)-c1ccccc1C6=O ZINC000587099486 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5c(C)ccc6c5c(c4C[C@@]3(C)[C@H]21)-c1ccccc1C6=O ZINC000587099487 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5c(C)ccc6c5c(c4C[C@]3(C)[C@H]21)-c1ccccc1C6=O ZINC000587099488 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099532 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099533 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099534 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587099535 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587099539 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587099540 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587099541 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587099542 KK Annotated Mild Cc1ccc2c3c(c([C@@H](CC(=O)c4ccccc4)c4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099548 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](CC(=O)c4ccccc4)c4ccccc4)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587099549 KK Annotated Anodyne CCCCCCCCCCCCCc1nc2c(C)ccc3c2c(c1CCCCCCCCCCCC)-c1ccccc1C3=O ZINC000587099552 KK Annotated Mild CCCCCCCCCCCc1nc2c(C)ccc3c2c(c1CCCCCCCCCC)-c1ccccc1C3=O ZINC000587099589 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)CC[C@H]32)C1 ZINC000587099596 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)CC[C@H]32)C1 ZINC000587099597 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](c5cc6c7c(ccc(C)c7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000587099598 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](c5cc6c7c(ccc(C)c7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000587099599 KK Annotated Anodyne CCCCCCCCCCCCCCCCc1c(CC(=O)c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099604 KK Annotated Mild COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)c4nc5c(C)ccc6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 ZINC000587099616 KK Annotated Anodyne CCCCCCCCCCCCCCCc1nc2c(C)ccc3c2c(c1CCCCCCCCCCCCCC)-c1ccccc1C3=O ZINC000587099682 KK Annotated Mild CCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099821 KK Annotated Mild CCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587099903 KK Annotated Mild CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4c(C)ccc5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000587099941 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)c3nc4c(C)ccc5c4c(c3C[C@@H]12)-c1ccccc1C5=O ZINC000587099942 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(=O)[C@H]1CC[C@H]3[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587099980 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(=O)[C@@H]1CC[C@H]3[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587099981 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](CC[C@H]5C(=O)C(=O)CC[C@]35C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587099984 KK Annotated Clean Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](CC[C@@H]5C(=O)C(=O)CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587099985 KK Annotated Clean CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]3Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@@]3(C)CC[C@H]12 ZINC000587100022 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@H]2CC[C@]2(C)c3nc4c(C)ccc5c4c(c3C[C@H]12)-c1ccccc1C5=O ZINC000587100024 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@@H]5CCC(=O)[C@]5(C)CC(=O)[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587100032 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@H](C(=O)C[C@@]5(C)C(=O)CC[C@@H]35)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587100034 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587100037 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]3[C@]1(C)C4)-c1ccccc1C2=O ZINC000587100040 KK Annotated Anodyne CCCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100041 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587100042 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100057 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100058 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100059 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100060 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6CCC7=CC(=O)CC[C@@H]7[C@H]6CC[C@]45C)nc13)-c1ccccc1C2=O ZINC000587100348 KK Annotated Mild C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587100352 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587100353 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587100405 KK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccc5ccc6cccc7ccc4c5c67)nc13)-c1ccccc1C2=O ZINC000587100408 KK Annotated Bother Cc1ccc2c3c(c([C@@H](c4ccccc4)C4C(=O)CC(C)(C)CC4=O)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587100409 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](c4ccccc4)C4C(=O)CC(C)(C)CC4=O)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587100410 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6c(C)ccc7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000587100422 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@@H]1CC[C@]3(C)[C@H](CCC5=C6CC(C)(C)CC[C@]6(C)CC[C@]53C)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587100446 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@H]1CC[C@]3(C)[C@H](CCC5=C6CC(C)(C)CC[C@]6(C)CC[C@]53C)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587100447 KK Annotated Anodyne C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5CC4=C3C=C[C@@]21C)-c1ccccc1C7=O ZINC000587100485 KK Annotated Mild Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6CC[C@H]7C[C@H](O)CC[C@]7(C)[C@H]6C(=O)C[C@]45C)nc13)-c1ccccc1C2=O ZINC000587100571 KK Annotated Anodyne Cc1ccc2c3c(c([C@@H](c4ccccc4)c4ccccc4O)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587100579 KK Annotated Anodyne Cc1ccc2c3c(c([C@H](c4ccccc4)c4ccccc4O)c(-c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587100580 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6CC[C@H]7CC(=O)CC[C@]7(C)[C@H]6C(=O)C[C@]45C)nc13)-c1ccccc1C2=O ZINC000587100616 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587100618 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587100702 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6CC[C@H]7C[C@](C)(O)CC[C@]7(C)[C@H]6CC[C@]45C)nc13)-c1ccccc1C2=O ZINC000587100708 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587100736 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)OCCOCCOCCOCCO5)nc13)-c1ccccc1C2=O ZINC000587100748 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)-c3ccccc32)cc1 ZINC000587100796 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@H]13)-c1ccccc1C5=O ZINC000587100804 KK Annotated Anodyne Cc1c([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100815 KK Annotated Anodyne Cc1c([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100823 KK Annotated Anodyne Cc1c([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100825 KK Annotated Anodyne Cc1c([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587100828 KK Annotated Anodyne CCOC(=O)CCc1nc2cccc3c2c(c1CC(=O)c1ccc(Br)cc1)-c1ccccc1C3=O ZINC000587100876 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6C[C@H](C)C7=CC(=O)CC[C@]7(C)[C@H]6[C@@H](O)C[C@]45C)nc13)-c1ccccc1C2=O ZINC000587100895 KK Annotated Mild CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587100906 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)c3nc4c(C)ccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587100920 KK 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=C/C2=C(C)c3nc4c(C)ccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587100938 KK 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=C\C2=C(C)c3nc4c(C)ccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587100943 KK 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=C/C2=C(C)c3nc4c(C)ccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587100946 KK Annotated Mild CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587100966 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587100969 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)-c1ccccc1C7=O ZINC000587100973 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C)-c1ccccc1C7=O ZINC000587100976 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@H]5CC[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)[C@@]5(C)CC[C@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587100996 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587101002 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587101009 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H](CC[C@]5(C)[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]35)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587101010 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587101012 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587101016 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@@H](CC[C@]5(C)[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]35)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587101017 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H](CC[C@]5(C)[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]35)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587101024 KK Annotated Anodyne Cc1ccc2c3c(cc(-c4ccc5c(c4)OCCOCCOCCOCCOCCO5)nc13)-c1ccccc1C2=O ZINC000587101055 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587101067 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587101086 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2Cc3c(nc4c(C)ccc5c4c3-c3ccccc3C5=O)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587101089 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587101093 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587101097 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587101105 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587101122 KK Annotated Anodyne COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cc1CSc1nc2ccccc2s1 ZINC000587101151 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C ZINC000587101155 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c(nc7c(C)ccc8c7c6-c6ccccc6C8=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587101159 KK Annotated Mild Cc1ccc2c3c(cc(C=P(c4ccccc4)(c4ccccc4)c4ccccc4)nc13)-c1ccccc1C2=O ZINC000587101162 KK Annotated Unstable Cc1ccc2c3c(c4c(nc13)CCCCCc1cc(O)cc(O)c1C(=O)O[C@@H](C)CC4)-c1ccccc1C2=O ZINC000587101167 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101181 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587101206 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101229 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101233 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2c2c(nc4c(C)ccc5c4c2-c2ccccc2C5=O)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587101234 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101239 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)Cc2c(nc4c(C)ccc5c4c2-c2ccccc2C5=O)C(C)(C)[C@@H]1CC3 ZINC000587101281 KK Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H]2CCC(=O)C=C12 ZINC000587101337 KK Annotated Mild Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@H]4C(=O)Oc5c(O)cccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101338 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3ccccc3Br)nc1CC4)-c1ccccc1C2=O ZINC000587101339 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@@H]4C(=O)Oc5c(O)cccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101341 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@@H]4C(=O)Oc5c(O)cccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101345 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@H]4C(=O)Oc5c(O)cccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587101350 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101354 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(C)[C@H](CC[C@@]3(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]531)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@H]43)-c1ccccc1C2=O ZINC000587101366 KK Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3c(C)ccc4c3c1-c1ccccc1C4=O)[C@@H]1CCO[C@@H]1O2 ZINC000587101443 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)cc1OCC ZINC000587101458 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H]4CC[C@H]5[C@@H]6C=CC7=CC(=O)CC[C@]7(C)[C@H]6CC[C@]45C)nc13)-c1ccccc1C2=O ZINC000587101517 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC(=O)[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587101532 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]2O)-c1ccccc1C5=O ZINC000587101541 KK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587101581 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587101586 KK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587101587 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587101588 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587101636 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587101637 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587101638 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587101639 KK Annotated Anodyne CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587101684 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587101696 KK Annotated Anodyne CCCCCCC[C@H](O)Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587101706 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O ZINC000587101711 KK Annotated Reactive CCCCCCCCCCCCCCc1c(-c2c(O)oc(CO)c2O)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587101725 KK Annotated Mild Cc1nc2ccc(Br)cc2c(Cl)c1CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587101745 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587101758 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(C)[C@H](CC[C@@]3(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]531)[C@@]1(C)C=CC(=O)OC(C)(C)[C@H]41)-c1ccccc1C2=O ZINC000587101843 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587101854 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1O ZINC000587101861 KK Annotated Mild Cc1ccc(C(=O)N(c2nc(C)c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)s2)C2CC2)cc1 ZINC000587101863 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1O ZINC000587101864 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@@]1(C)CC[C@H]3[C@@](C)(CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]35C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587101926 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@@]1(C)[C@@H]4CC(=O)[C@@H]3[C@@H]1CC(=O)[C@@]1(C)[C@H]3CC[C@@H]1[C@H](C)CCC(=O)O)-c1ccccc1C2=O ZINC000587101932 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@]3(C)[C@H](CC[C@@]5(C)[C@H]3CC[C@H]5C(=O)CO)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587101933 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@]3(C)[C@@H]5CC[C@@H](C(=O)CO)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587101935 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@]3(C)[C@H](CC[C@]5(C)[C@H](C(=O)CO)CC[C@H]35)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587101936 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@]1(C)[C@H]3CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]3C(=O)C[C@@H]41)-c1ccccc1C2=O ZINC000587101937 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@]3(C)[C@H](CC[C@]5(C)[C@H](C(=O)CO)CC[C@H]35)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587101939 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@]21C)-c1ccccc1C7=O ZINC000587101956 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@@]21C)-c1ccccc1C7=O ZINC000587101964 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)c1ccc(S(C)(=O)=O)cc1Cl)C(=O)CC4)-c1ccccc1C2=O ZINC000587101966 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@H](C(=O)c1ccc(S(C)(=O)=O)cc1Cl)C(=O)CC4)-c1ccccc1C2=O ZINC000587101971 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@]12C)-c1ccccc1C7=O ZINC000587101975 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587101981 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587101991 KK Annotated Mild Cc1ccc2c3c(cc([C@H](O)[C@H](c4ccccc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102020 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H](O)[C@@H](c4ccccc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102021 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H](O)[C@@H](c4ccccc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102022 KK Annotated Anodyne Cc1ccc2c3c(cc([C@H](O)[C@H](c4ccccc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102023 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587102036 KK Annotated Anodyne CCCOc1ccn2c(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587102049 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102058 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102059 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCC ZINC000587102071 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OCC ZINC000587102072 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccc(Br)cc4c3-c3ccccc3)nc3cccc1c23 ZINC000587102085 KK Annotated Anodyne CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587102107 KK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587102108 KK Annotated Reactive CC(C)(C)OC(=O)n1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(Br)c2ccccc21 ZINC000587102139 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102148 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(c(Br)c(Br)c2c1CCO2)C3 ZINC000587102163 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587102187 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587102190 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000587102193 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587102194 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102204 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102208 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102209 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC(=O)[C@H]3[C@@H](CCC5=CC(=O)CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102210 KK Annotated Mild CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102213 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC(=O)[C@@H]3[C@H](CCC5=CC(=O)CC[C@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102214 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC(=O)[C@@H]3[C@H](CCC5=CC(=O)CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102219 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC(=O)[C@@H]3[C@H](CCC5=CC(=O)CC[C@@]53C)[C@H]1C4)-c1ccccc1C2=O ZINC000587102222 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC(=O)[C@@H]3[C@H](CCC5=CC(=O)CC[C@]53C)[C@H]1C4)-c1ccccc1C2=O ZINC000587102226 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@]2(C)O ZINC000587102259 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@]2(C)O ZINC000587102261 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102262 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587102263 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@]2(C)O ZINC000587102264 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@]2(C)O ZINC000587102266 KK Annotated Anodyne CCCCCCCCC[C@H](O)Cc1nc2c(C)ccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587102277 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@@H]3[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102286 KK Annotated Anodyne Cc1ccc2c3c(c(CC(=O)O)c(-c4ccn(S(=O)(=O)c5ccccc5)c4)nc13)-c1ccccc1C2=O ZINC000587102289 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC[C@@H]3[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102291 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@@H]3[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]53C)[C@H]1C4)-c1ccccc1C2=O ZINC000587102296 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@]1(C)CC[C@@H]3[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]53C)[C@H]1C4)-c1ccccc1C2=O ZINC000587102301 KK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccc(O)c(O)c4)c(/C=C/CCc4ccc(O)c(O)c4)nc13)-c1ccccc1C2=O ZINC000587102303 KK Annotated Clean Cc1ccc2c3c(cc(-c4ccc(S(=O)(=O)NC(=O)NC5CCCCC5)cc4)nc13)-c1ccccc1C2=O ZINC000587102310 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000587102339 KK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c(-c2nc3c(C)ccc4c3c(c2CCCC)-c2ccccc2C4=O)c1O ZINC000587102380 KK Annotated Anodyne CC(=O)[C@H]1C(=O)C=C2Oc3c(-c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@]2(C)C1=O ZINC000587102388 KK Annotated Mild CC(=O)[C@@H]1C(=O)C=C2Oc3c(-c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000587102389 KK Annotated Mild CC(=O)[C@@H]1C(=O)C=C2Oc3c(-c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@]2(C)C1=O ZINC000587102390 KK Annotated Mild CC(=O)[C@H]1C(=O)C=C2Oc3c(-c4cc5c6c(ccc(C)c6n4)C(=O)c4ccccc4-5)c(O)c(C)c(O)c3[C@@]2(C)C1=O ZINC000587102391 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](C[C@@]5(CO5)C5=CC(=O)C=C[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102408 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](C[C@]5(CO5)C5=CC(=O)C=C[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102409 KK Annotated Mild COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3c(C)ccc4c3c1-c1ccccc1C4=O)[C@@H]1C=CO[C@@H]1O2 ZINC000587102417 KK Annotated Anodyne Cc1ccc2c3c(c(Cc4ccccc4)c(C[C@H](CCc4ccccc4)O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)nc13)-c1ccccc1C2=O ZINC000587102427 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102439 KK Annotated Anodyne CCCCCCc1c(-c2cc3c(Br)sc(Br)c3s2)nc2c(C)ccc3c2c1-c1ccccc1C3=O ZINC000587102475 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)-c1sc(-c3ccc(Br)cc3)nc1CC4)-c1ccccc1C2=O ZINC000587102482 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102520 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587102521 KK Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5c(sc6c5CCCC6)N/C4=C/Cl)nc13)-c1ccccc1C2=O ZINC000587102522 KK Annotated Anodyne Cc1ccc2c3c(cc(CN4C(=O)c5c(sc6c5CCCC6)N/C4=C\Cl)nc13)-c1ccccc1C2=O ZINC000587102523 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCc2c-3nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587102525 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C[C@@H]1CC[C@@H]3[C@H](CC[C@@]5(C)[C@H]3CC[C@]5(C)O)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102538 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)C[C@H](O)[C@H]3[C@@H](CCC5=CC(=O)CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O ZINC000587102550 KK Annotated Mild COC1=CC[C@@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102570 KK Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102573 KK Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102575 KK Annotated Clean COC1=CC[C@@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587102578 KK Annotated Clean O=C1c2ccccc2-c2cc(-c3ccc(OCc4ccccc4C(F)(F)F)c4nc(O)ccc34)nc3cccc1c23 ZINC000587102584 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@H](C=O)C[C@@]1(C)[C@H]4CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]31)-c1ccccc1C2=O ZINC000587102585 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@H](C=O)C[C@@]1(C)[C@H]4CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]31)-c1ccccc1C2=O ZINC000587102587 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@H](C=O)C[C@]1(C)[C@H]3CC[C@@]5(C)[C@@H](CC[C@]5(C)O)[C@@H]3CC[C@@H]41)-c1ccccc1C2=O ZINC000587102588 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@H](C=O)C[C@]1(C)[C@H]3CC[C@@]5(C)[C@@H](CC[C@]5(C)O)[C@@H]3CC[C@@H]41)-c1ccccc1C2=O ZINC000587102590 KK Annotated Mild O=C1c2ccccc2-c2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)nc3cccc1c23 ZINC000587102591 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@H]1c1ccccc1F ZINC000587102606 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1[C@H](O)C[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102608 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1[C@@H](O)C[C@H]3[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102609 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@@H]1c1ccccc1F ZINC000587102610 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@@H]1c1ccccc1F ZINC000587102612 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)-c2ccccc2C5=O)[C@H]1c1ccccc1F ZINC000587102614 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H](CC[C@@]5(C)[C@@H]3CC[C@]5(O)[C@H](C)O)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102616 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H](CC[C@@]5(C)[C@@H]3CC[C@]5(O)[C@@H](C)O)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587102620 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H](CC[C@@]5(C)[C@@H]3CC[C@]5(O)[C@H](C)O)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587102621 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H](CC[C@@]5(C)[C@@H]3CC[C@]5(O)[C@@H](C)O)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102622 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H]([C@H](O)C[C@]5(C)[C@H](O)CC[C@H]35)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587102627 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@@H](O)[C@@]5(C)C[C@@H](O)[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102628 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H]([C@H](O)C[C@@]5(C)[C@H]3CC[C@H]5O)[C@]1(C)C4)-c1ccccc1C2=O ZINC000587102629 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@@H]3[C@H]([C@H](O)C[C@]5(C)[C@H](O)CC[C@H]35)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102630 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)-c1ccccc1C7=O ZINC000587102642 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@H]1CC[C@@]3(C)[C@@H]([C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]53C)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102643 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(C)(C)[C@@H]1CC[C@@]3(C)[C@@H]([C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]53C)[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102644 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CC[C@]1(C)[C@H]3CC[C@@]5(C)[C@@H](CC[C@]5(C)O)[C@@H]3CC[C@@H]41)-c1ccccc1C2=O ZINC000587102654 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587102659 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102664 KK Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21CC)-c1ccccc1C7=O ZINC000587102666 KK Annotated Mild COc1ccc(Br)c(COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2F)c1 ZINC000587102770 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000587102774 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000587102778 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(N4COc5ccc(Br)cc5C4)c3)nc3cccc1c23 ZINC000587102872 KK Annotated Anodyne O=C1c2ccccc2-c2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c(-c3ccc(F)cc3)nc3cccc1c23 ZINC000587102878 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587102883 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587102884 KK Annotated Mild Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587102893 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587102896 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587102899 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587102902 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)CCC[C@H](C)OC(=O)c1c(O)cc(O)cc1CCCC4)-c1ccccc1C2=O ZINC000587102936 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13)-c1ccccc1C5=O ZINC000587102948 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]24CCC(=O)O4)[C@H]13)-c1ccccc1C5=O ZINC000587102949 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102950 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 ZINC000587102951 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=Cc5nc6c(C)ccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]12C)-c1ccccc1C7=O ZINC000587102955 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1[C@@H]3C[C@@H]3[C@H]3[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587102970 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103016 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3)nc3cccc1c23 ZINC000587103017 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103018 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103021 KK Annotated Anodyne Cc1nc2c(C)ccc3c2c(c1[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103022 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C ZINC000587103038 KK Annotated Reactive CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)C(=O)[C@@]12C ZINC000587103056 KK Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)C(=O)[C@]12C ZINC000587103058 KK Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)C(=O)[C@@]12C ZINC000587103062 KK Annotated Mild CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)[C@H](c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)C(=O)[C@]12C ZINC000587103066 KK Annotated Mild Cc1ccc2c3c(cc(C[C@@H](c4ccc(O)cc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103070 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587103071 KK Annotated Reactive Cc1ccc2c3c(cc(C[C@H](c4ccc(O)cc4)[C@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103072 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccc(O)cc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103076 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccc(O)cc4)[C@@H]4C(=O)Oc5ccccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103080 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103131 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103132 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103133 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103134 KK Annotated Anodyne O=C1c2ccccc2-c2c(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)c(-c3ccc(F)cc3)nc3cccc1c23 ZINC000587103177 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000587103267 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2C1 ZINC000587103268 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000587103269 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@H]2C1 ZINC000587103270 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587103275 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587103278 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587103279 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O ZINC000587103281 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(CC4)Oc3ccccc3[C@@H]1C1C(=O)CCCC1=O)-c1ccccc1C2=O ZINC000587103282 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103283 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C1=C(CC4)Oc3ccccc3[C@H]1C1C(=O)CCCC1=O)-c1ccccc1C2=O ZINC000587103284 KK Annotated Anodyne Cc1ccc2c3c(c(C(C)C)c(-c4c(O)cc5c(c4O)[C@H](CC(C)C)C4=C(O5)C(C)(C)C(=O)C(C)(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587103286 KK Annotated Mild Cc1ccc2c3c(c(C(C)C)c(-c4c(O)cc5c(c4O)[C@@H](CC(C)C)C4=C(O5)C(C)(C)C(=O)C(C)(C)C4=O)nc13)-c1ccccc1C2=O ZINC000587103288 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@H]([C@H]1C3=C(CCCC3=O)Oc3ccccc31)C(=O)CC4)-c1ccccc1C2=O ZINC000587103307 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@H]([C@@H]1C3=C(CCCC3=O)Oc3ccccc31)C(=O)CC4)-c1ccccc1C2=O ZINC000587103309 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@H]([C@H]1C3=C(CCCC3=O)Oc3ccccc31)C(=O)CC4)-c1ccccc1C2=O ZINC000587103312 KK Annotated Mild Cc1ccc2c3c(c4c(nc13)[C@@H]([C@@H]1C3=C(CCCC3=O)Oc3ccccc31)C(=O)CC4)-c1ccccc1C2=O ZINC000587103314 KK Annotated Mild CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(C)ccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587103326 KK Annotated Anodyne O=C1c2ccccc2-c2cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cccc1c23 ZINC000587103336 KK Annotated Mild Cc1ccc2c3c(cc(-c4cccc(S(=O)(=O)N5CCC(C(=O)O)(c6ccccc6)CC5)c4)nc13)-c1ccccc1C2=O ZINC000587103353 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103361 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103364 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103367 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587103369 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103373 KK Annotated Anodyne CCC[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587103427 KK Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@@H]2C(=O)CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c(Cl)c1COCC(F)(F)F ZINC000587103439 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC=C3C5=C(CC[C@H]3[C@@H]1C4)CC1(CC5)OCCO1)-c1ccccc1C2=O ZINC000587103440 KK Annotated Anodyne CS(=O)(=O)c1ccc(C(=O)[C@H]2C(=O)CCc3c2nc2cccc4c2c3-c2ccccc2C4=O)c(Cl)c1COCC(F)(F)F ZINC000587103442 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@H]4C(=O)Oc5cc(O)ccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103490 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@H]4C(=O)Oc5cc(O)ccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103492 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@@H]4C(=O)Oc5cc(O)ccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103496 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@@H]4C(=O)Oc5cc(O)ccc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103499 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C=C1C=C[C@H]3[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O ZINC000587103524 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587103525 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@H]4C(=O)Oc5ccc(O)cc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103526 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@@H]4C(=O)Oc5ccc(O)cc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103528 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@H](c4ccccc4)[C@@H]4C(=O)Oc5ccc(O)cc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103531 KK Annotated Anodyne Cc1ccc2c3c(cc(C[C@@H](c4ccccc4)[C@H]4C(=O)Oc5ccc(O)cc5C4=O)nc13)-c1ccccc1C2=O ZINC000587103533 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)c5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587103540 KK Annotated Anodyne O=C1c2ccccc2-c2cc(/C=C/c3ccccc3Oc3ccc(Br)cc3F)nc3cccc1c23 ZINC000587103582 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4c(C)ccc5c4c(c3CCCC)-c3ccccc3C5=O)[C@H]1C2 ZINC000587103630 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4c(C)ccc5c4c(c3CCCC)-c3ccccc3C5=O)[C@H]1C2 ZINC000587103632 KK Annotated Mild Cc1ccc2c3c(cc([C@H](C)Oc4ccc5c6c(c(=O)oc5c4C)CCCC6)nc13)-c1ccccc1C2=O ZINC000587103639 KK Annotated Anodyne Cc1ccc2c3c(cc([C@@H](C)Oc4ccc5c6c(c(=O)oc5c4C)CCCC6)nc13)-c1ccccc1C2=O ZINC000587103640 KK Annotated Anodyne Cc1ccc2c3c(c4c(nc13)C(Br)=C(c1ccc(S(C)(=O)=O)cc1)C4)-c1ccccc1C2=O ZINC000587103652 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587103669 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21)-c1ccccc1C5=O ZINC000587103672 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21)-c1ccccc1C5=O ZINC000587103673 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(C)ccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587103675 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000587103700 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6cccc7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587103702 KK Annotated Reactive O=C(N[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000587103703 KK Annotated Anodyne O=C(N[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000587103706 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]31 ZINC000587103707 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000587103709 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000587103712 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587103717 KK Annotated Anodyne O=C1c2ccccc2-c2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587103718 KK Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587103763 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587103796 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@@H]31 ZINC000587103799 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@H]31 ZINC000587103802 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@H]31 ZINC000587103803 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@@H]31 ZINC000587103804 KK Annotated Anodyne Cc1ccc(COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2Cl)cc1[N+](=O)[O-] ZINC000587103820 KK Annotated Bother CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587103901 KK Annotated Mild Cc1nc2cccc3c2c(c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103933 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103937 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103941 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587103946 KK 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)-c1ccccc1C7=O ZINC000587104051 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(Oc4ncc(C(F)(F)F)cc4Cl)cc3)nc3cccc1c23 ZINC000587104056 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587104098 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)nc3cccc4c3c2-c2ccccc2C4=O)cc1 ZINC000587104102 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000587104106 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000587104107 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000587104110 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)[C@@H]2O[C@@H]2C1=O ZINC000587104113 KK Annotated Mild Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104137 KK Annotated Mild Cc1cc(I)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1NC(=O)C(F)(F)F ZINC000587104157 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(Cl)cc3)nc3cccc1c23 ZINC000587104182 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2)CC1 ZINC000587104188 KK Annotated Bother COC1CC(C)(C)N(CCOC(=O)CCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(C)(C)C1 ZINC000587104232 KK Annotated Anodyne O=C1c2ccccc2-c2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c(-c3ccc(F)cc3)nc3cccc1c23 ZINC000587104238 KK Annotated Anodyne O=C(Nc1ccccc1Cl)C(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104276 KK Annotated Mild CC(C)(C(=O)O)c1ccc(-c2nc3cccc4c3c(c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)-c2ccccc2C4=O)cc1 ZINC000587104285 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)CC3 ZINC000587104603 KK Annotated Bother O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)CC3 ZINC000587104604 KK Annotated Bother C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587104612 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3-c3ccccc3C5=O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587104616 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587104620 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)nc4cccc5c4c3-c3ccccc3C5=O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587104623 KK Annotated Mild CCOc1ccc(-c2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587104693 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587104713 KK Annotated Mild COc1ccc(-c2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587104751 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)-c2ccccc2C4=O)cc1 ZINC000587104825 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587104830 KK Annotated Bother Cc1nc2cccc3c2c(c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587104831 KK Annotated Bother Cc1nc2cccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587104832 KK Annotated Bother Cc1nc2cccc3c2c(c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587104833 KK Annotated Bother CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587104857 KK Annotated Anodyne COC1=Cc2nc3cccc4c3c(c2[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O)-c1ccccc1C4=O ZINC000587104868 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104901 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5cccc6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 ZINC000587104908 KK Annotated Reactive CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104909 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104910 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104911 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587104921 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587104922 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587104924 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587104926 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104933 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104935 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104937 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587104938 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3cccc1c23 ZINC000587104959 KK Annotated Mild CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587104967 KK Annotated Mild CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587104996 KK Annotated Anodyne O=C(N[C@@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000587105012 KK Annotated Anodyne O=C(N[C@]1(C(=O)O)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O)OCC1c2ccccc2-c2ccccc21 ZINC000587105014 KK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1[N+](=O)[O-] ZINC000587105043 KK Annotated Bother Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)nc3cccc4c3c2-c2ccccc2C4=O)c2ccccc21 ZINC000587105055 KK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)nc3cccc4c3c2-c2ccccc2C4=O)c2ccccc21 ZINC000587105056 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c([N+](=O)[O-])c1 ZINC000587105067 KK Annotated Mild O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@@H](C3)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000587105082 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H](C3)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000587105083 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]1[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]1C3 ZINC000587105084 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1[C@H](C3)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000587105085 KK Annotated Anodyne CCCCCCc1nc2cccc3c2c(c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)-c1ccccc1C3=O ZINC000587105104 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)Cc2c(C)nc3cccc4c3c2-c2ccccc2C4=O)C(C)(C)C1 ZINC000587105177 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1[C@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000587105225 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1C(=O)O ZINC000587105226 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1[C@@H]3CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)O ZINC000587105227 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@H]1[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]31 ZINC000587105228 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@H]31 ZINC000587105239 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@@H]31 ZINC000587105240 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@H]31 ZINC000587105241 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@@H]31 ZINC000587105242 KK Annotated Anodyne CC(C)c1ccc([C@@H]2[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587105255 KK Annotated Anodyne CC(C)c1ccc([C@@H]2[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587105256 KK Annotated Anodyne CC(C)c1ccc([C@H]2[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587105257 KK Annotated Anodyne CC(C)c1ccc([C@H]2[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587105258 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN(C(=O)OCC1c2ccccc2-c2ccccc21)CC3 ZINC000587105272 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)-c2nc3cccc4c3c(c2CC1)-c1ccccc1C4=O ZINC000587105279 KK Annotated Clean O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@H]1C3 ZINC000587105292 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)[C@@H]1C3 ZINC000587105293 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@@H]1C3 ZINC000587105294 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)[C@H]1C3 ZINC000587105295 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587105323 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587105324 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587105325 KK Annotated Bother O=C1c2ccccc2-c2cc(C[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587105326 KK Annotated Bother Cc1ccc(-c2nc3cccc4c3c(c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)-c2ccccc2C4=O)cc1 ZINC000587105369 KK Annotated Anodyne Cc1ccc(-c2nc3cccc4c3c(c2[C@H](C(=O)O)c2cn(C)c3ccccc23)-c2ccccc2C4=O)cc1 ZINC000587105370 KK Annotated Anodyne CCOC(=O)C(Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC(C)C)C(=O)OCC ZINC000587105574 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587105655 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587105734 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587105735 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587105736 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OC(C)(C)C)-c1ccccc1C5=O ZINC000587105737 KK Annotated Anodyne CC(=O)OC1=C2CC[C@H]3[C@@H]4Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587105804 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccccc3C(F)(F)F)nc1-2 ZINC000587105829 KK Annotated Anodyne COC(=O)[C@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105835 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587105838 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587105966 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)-c1ccccc1C7=O ZINC000587105986 KK Annotated Mild COc1cc(CCC(=O)Cc2nc3cccc4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000587106053 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2cccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O ZINC000587106086 KK Annotated Anodyne C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587106110 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587106115 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587106116 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587106120 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]21C)-c1ccccc1C7=O ZINC000587106124 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106141 KK Annotated Mild O=C(O)c1cc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587106165 KK Annotated Bother CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587106170 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)[C@@]12C ZINC000587106175 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]1C3 ZINC000587106199 KK Annotated Anodyne CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587106202 KK Annotated Mild O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@H]1C3 ZINC000587106203 KK Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@H](O)COc1cccc(O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106205 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@@H]1C3 ZINC000587106206 KK Annotated Anodyne CC(=O)c1c(O)cccc1OC[C@@H](O)COc1cccc(O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587106207 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]1C[C@H](C(=O)O)N(C(=O)OCC2c4ccccc4-c4ccccc42)C[C@H]1C3 ZINC000587106209 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/c2nc4cccc5c4c(c2CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)-c1ccccc1C5=O ZINC000587106235 KK Annotated Mild COC(=O)c1cccc(OCCOc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)c1 ZINC000587106306 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106335 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587106339 KK Annotated Bother Nc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1N ZINC000587106350 KK Annotated Anodyne Cc1nccc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587106356 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106382 KK Annotated Bother O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106388 KK Annotated Anodyne Cc1cnc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587106407 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106414 KK Annotated Reactive COC(=O)c1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587106422 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587106425 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587106426 KK Annotated Clean O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587106430 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106431 KK Annotated Bother O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106432 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106433 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587106435 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(OCc3ccccc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106436 KK Annotated Anodyne CCCOc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587106437 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587106438 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106439 KK Annotated Anodyne COc1nccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587106440 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)c(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106444 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106445 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106451 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(-n3cnnn3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106454 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587106457 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3nc4ccccc4nc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106462 KK Annotated Bother O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106464 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587106465 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587106466 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587106469 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(I)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106470 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106473 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587106478 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106479 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Oc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106485 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587106504 KK 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)-c1ccccc1C7=O ZINC000587106515 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)cc1 ZINC000587106533 KK Annotated Anodyne CCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587106604 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nc3cccc1c23 ZINC000587106702 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587106712 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587106747 KK Annotated Mild CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587106846 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587106847 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587106850 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587106851 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587106907 KK Annotated Clean O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106911 KK Annotated Bother COC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587106918 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000587106920 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587106936 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106941 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106943 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3c(cc2[nH]1)OCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587106948 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587106956 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587106960 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106961 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106963 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106967 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)C[C@@H]31 ZINC000587106969 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)C[C@H]31 ZINC000587106970 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587106971 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106974 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587106976 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106977 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106978 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106979 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106980 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106987 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587106988 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587106989 KK Annotated Anodyne Nc1ccnc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587106990 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587106991 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106996 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106997 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587106998 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587106999 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107003 KK Annotated Anodyne Nc1nccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587107004 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587107007 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587107015 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587107016 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587107019 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107020 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107022 KK Annotated Bother CC(C)COc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587107023 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cnncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107024 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107025 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107030 KK Annotated Anodyne NNC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107034 KK Annotated Reactive O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587107036 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107039 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587107045 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107049 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000587107052 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587107055 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587107069 KK Annotated Mild O=C1c2ccccc2-c2cc(-c3ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc3)nc3cccc1c23 ZINC000587107088 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587107089 KK Annotated Mild CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587107208 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@H](C(=O)O)C[C@H]31 ZINC000587107220 KK Annotated Anodyne O=C1c2ccccc2-c2c3c(nc4cccc1c24)CC[C@@H]1CN(C(=O)OCC2c4ccccc4-c4ccccc42)[C@@H](C(=O)O)C[C@@H]31 ZINC000587107221 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107252 KK Annotated Bother O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587107253 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587107254 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107281 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cnccc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107300 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(CCO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107301 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](c5cc6c7c(cccc7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000587107305 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)CC[C@H]32)C1 ZINC000587107306 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](c5cc6c7c(cccc7n5)C(=O)c5ccccc5-6)[C@@]4(C)CC[C@H]32)C1 ZINC000587107307 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)CC[C@H]32)C1 ZINC000587107308 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587107312 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107313 KK Annotated Reactive CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@@]3(C)[C@@H]21)-c1ccccc1C6=O ZINC000587107321 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@@H]21)-c1ccccc1C6=O ZINC000587107322 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]21)-c1ccccc1C6=O ZINC000587107323 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@@H]2CCC3=Cc4nc5cccc6c5c(c4C[C@@]3(C)[C@H]21)-c1ccccc1C6=O ZINC000587107324 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587107327 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107346 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587107347 KK Annotated Anodyne NC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107351 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587107374 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107380 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccccc3C(F)(F)F)[nH]c21 ZINC000587107382 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587107397 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107403 KK Annotated Mild COC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587107410 KK Annotated Anodyne N#Cc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107414 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107420 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587107432 KK Annotated Anodyne C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587107444 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587107445 KK Annotated Clean CCc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107448 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107450 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587107459 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)-c1ccccc1C7=O ZINC000587107464 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c21 ZINC000587107477 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c21 ZINC000587107483 KK Annotated Clean CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587107484 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107486 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3c(cc2[nH]1)OCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587107517 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587107519 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587107527 KK Annotated Clean CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587107539 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107541 KK Annotated Mild N#Cc1nc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2nc1C#N ZINC000587107556 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107561 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107567 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107578 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107579 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587107584 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587107590 KK Annotated Mild CCCCCOc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587107599 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107602 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3c(O)cc(OCc4ccccc4)cc3OCc3ccccc3)nc3cccc1c23 ZINC000587107626 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587107628 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1Br ZINC000587107648 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000587107750 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587107751 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587107752 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587107753 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)CC[C@@H]2[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587107754 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000587107755 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587107769 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000587107778 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107793 KK Annotated Mild O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587107803 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587107805 KK Annotated Anodyne CC[C@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587107806 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587107807 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](c5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587107808 KK Annotated Anodyne CC[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587107810 KK Annotated Anodyne N=c1[nH]cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2[nH]1 ZINC000587107811 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587107824 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107826 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107830 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107831 KK Annotated Anodyne O=C(O)CN(CC(=O)N1CCN(c2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2)CC1)c1ccccc1 ZINC000587107834 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107835 KK Annotated Anodyne COc1cc(CC[C@@H](O)Cc2nc3cccc4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000587107836 KK Annotated Anodyne COc1cc(CC[C@H](O)Cc2nc3cccc4c3c(c2Cc2ccc(O)c(OC)c2)-c2ccccc2C4=O)ccc1O ZINC000587107840 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107842 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587107847 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587107849 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587107860 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000587107865 KK Annotated Anodyne Nc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587107869 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107871 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107875 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107885 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587107886 KK Annotated Clean O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587107889 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587107892 KK Annotated Anodyne NC(=O)c1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587107895 KK Annotated Anodyne COc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587107901 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O ZINC000587107925 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587107930 KK Annotated Bother N=c1[nH]c2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2c(Cl)[nH]1 ZINC000587107936 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)nc3cc2N1 ZINC000587107946 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587107960 KK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587107985 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587107990 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587108000 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587108022 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108024 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587108027 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108029 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108038 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108050 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108072 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108078 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587108079 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Sc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108095 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587108108 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000587108141 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)[C@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000587108146 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@@H]2C1(C)C ZINC000587108147 KK Annotated Anodyne CN1C(=O)[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)[C@@H]2c3c[nH]c4cccc(c34)C[C@H]2C1(C)C ZINC000587108148 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc3)nc3cccc1c23 ZINC000587108167 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587108188 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@]2(C)c4nc5cccc6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 ZINC000587108195 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)-c1ccccc1C7=O ZINC000587108204 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587108211 KK Annotated Anodyne CCCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCCCCC)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587108253 KK Annotated Mild O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587108310 KK Annotated Anodyne O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587108311 KK Annotated Anodyne O=C1c2ccccc2-c2cc(-c3cccc(OCCCOc4ccc(OCc5ccccc5)cc4)c3)nc3cccc1c23 ZINC000587108328 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108375 KK Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587108382 KK Annotated Reactive O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587108386 KK Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108393 KK Annotated Anodyne Cc1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108417 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587108422 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc1-2 ZINC000587108428 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc1-2 ZINC000587108430 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108431 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108432 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ncccc4C(F)(F)F)[nH]c3cc21 ZINC000587108436 KK Annotated Clean O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108438 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108442 KK Annotated Bother CS(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108443 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108450 KK Annotated Anodyne COc1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108460 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108465 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108466 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)OCC1c2ccccc2-c2ccccc21 ZINC000587108473 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108474 KK Annotated Bother O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587108484 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc1-2 ZINC000587108485 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(=O)(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108488 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108494 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108496 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108498 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108499 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108500 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587108508 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108511 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587108512 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108513 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108516 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108522 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587108523 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(CN3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108524 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108525 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108526 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3nc(O)[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108527 KK Annotated Anodyne Nc1ncnc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587108528 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587108529 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108530 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108531 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108532 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108533 KK Annotated Anodyne N#Cc1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108535 KK Annotated Mild Cc1nc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587108536 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108537 KK Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587108607 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c21 ZINC000587108644 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ncccc3C(F)(F)F)[nH]c21 ZINC000587108718 KK Annotated Clean Cc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587108720 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108736 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](Cc5ccccc5C(F)(F)F)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587108739 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108742 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108746 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108749 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108751 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108755 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108757 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(=O)O)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108762 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108763 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587108764 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000587108765 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108766 KK Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587108767 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587108768 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108776 KK Annotated Anodyne N#Cc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587108777 KK Annotated Mild CSc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108778 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587108780 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108787 KK Annotated Bother CC(C)(C)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587108788 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108789 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587108790 KK Annotated Anodyne N#Cc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C#N ZINC000587108791 KK Annotated Mild Cc1cc(Br)cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108794 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108795 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587108796 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1N ZINC000587108802 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587108805 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108806 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108808 KK Annotated Anodyne Cc1ccnc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587108809 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108815 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108818 KK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587108821 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108824 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587108826 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Cl)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108827 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108828 KK Annotated Anodyne COc1cncc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587108829 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587108833 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108835 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587108836 KK Annotated Anodyne Cc1nc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2cc1Br ZINC000587108849 KK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587108850 KK Annotated Bother FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587108922 KK Annotated Anodyne O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587108935 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3cc21 ZINC000587108952 KK Annotated Clean FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587108992 KK Annotated Anodyne Cc1cc(Br)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2c1 ZINC000587108997 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3cc21 ZINC000587109023 KK Annotated Anodyne O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587109026 KK Annotated Reactive O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587109048 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587109049 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587109052 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCN4S(=O)(=O)c4ccccc4C(F)(F)F)[nH]c3cc21 ZINC000587109054 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587109059 KK Annotated Clean COc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587109067 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109070 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587109074 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587109090 KK Annotated Anodyne Nc1nc(O)c2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587109093 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109101 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587109104 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587109113 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109116 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587109131 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587109136 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587109139 KK Annotated Bother O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109147 KK Annotated Anodyne N=C(N)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587109149 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587109157 KK Annotated Anodyne O=C1CCc2cc3nc([C@H](Cc4ccccc4C(F)(F)F)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc2N1 ZINC000587109170 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109174 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ncccc4C(F)(F)F)[nH]c3cc21 ZINC000587109176 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(CO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109179 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109183 KK Annotated Anodyne Cc1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587109186 KK Annotated Anodyne C=CCc1cccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587109187 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109195 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587109209 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109215 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109217 KK Annotated Anodyne Cc1cncc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587109219 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109222 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc3ccccc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587109229 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587109240 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587109245 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c21 ZINC000587109246 KK Annotated Clean FC(F)(F)c1cc(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109253 KK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c(Br)cnc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587109260 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c3cc21 ZINC000587109300 KK Annotated Clean FC(F)(F)c1cc(Oc2ccc(-c3nc4nc(Br)c[nH]c-4n3)cc2)cc(C(F)(F)F)c1 ZINC000587109323 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587109351 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587109354 KK Annotated Clean FC(F)(F)c1cc(Oc2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109364 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc1-2 ZINC000587109409 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3cc21 ZINC000587109414 KK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587109420 KK Annotated Bother FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109454 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109464 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2cc1Br ZINC000587109471 KK Annotated Anodyne Cc1c(Br)ccc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587109474 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587109484 KK Annotated Bother O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587109571 KK Annotated Anodyne O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587109572 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2c1 ZINC000587109591 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587109618 KK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587109631 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3cc21 ZINC000587109640 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c21 ZINC000587109688 KK Annotated Clean O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587109691 KK Annotated Reactive O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c12 ZINC000587109701 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Oc5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4)nc3cc21 ZINC000587109726 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587109744 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587109761 KK Annotated Bother O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587109762 KK Annotated Bother FC(F)(F)Oc1cc(Br)cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587109781 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587109788 KK Annotated Bother COC(=O)c1cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c(F)c1Nc1ccccc1 ZINC000587109800 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3F)[nH]c21 ZINC000587109815 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587109820 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587109836 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109841 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587109844 KK Annotated Bother FC(F)(F)c1cc(Oc2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109871 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587109882 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587109890 KK Annotated Bother Cc1cc(Br)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587109893 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c21 ZINC000587109922 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c3cc21 ZINC000587109938 KK Annotated Clean Cc1c(Br)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c1C ZINC000587110012 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110014 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc1-2 ZINC000587110044 KK Annotated Mild Fc1c(Br)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc2c1F ZINC000587110065 KK Annotated Mild FC(F)(F)c1cc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110072 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587110074 KK Annotated Mild FC(F)(F)c1cc(CCc2nc3c(Br)ccc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110087 KK Annotated Anodyne CCCCCOc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110098 KK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(Br)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110125 KK Annotated Anodyne CCCCOc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110152 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587110153 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110167 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(C(F)(F)F)cc3F)nc1-2 ZINC000587110169 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110174 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110175 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110176 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110177 KK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110182 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc-2[nH]1 ZINC000587110196 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587110205 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110234 KK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110248 KK Annotated Anodyne FC(F)(F)c1cc(Oc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110262 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110272 KK Annotated Mild CC(C)CCOc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110292 KK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2c1 ZINC000587110293 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110307 KK Annotated Bother Fc1cnc(Br)c2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c12 ZINC000587110357 KK Annotated Mild FC(F)(F)c1cc(Oc2ccc(-c3nc4ncc(I)cc4[nH]3)cc2)cc(C(F)(F)F)c1 ZINC000587110359 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110377 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc21 ZINC000587110384 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc12 ZINC000587110385 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110404 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587110411 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)nc21 ZINC000587110423 KK Annotated Clean FC(F)(F)c1cc(Cc2nc3cc(Br)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110427 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(Oc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587110438 KK Annotated Bother CCCCCCCCOc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110457 KK Annotated Mild FC(F)(F)Oc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110461 KK Annotated Mild FC(F)(F)c1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110468 KK Annotated Reactive CCCCCCCCOc1cc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110470 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110474 KK Annotated Anodyne CC(C)COc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587110481 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Oc5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4)nc3cc21 ZINC000587110482 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c(F)c1Nc1ccccc1 ZINC000587110560 KK Annotated Mild O=c1c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110565 KK Annotated Bother CC(C)COc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587110570 KK Annotated Anodyne Cc1c(Br)cnc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587110572 KK Annotated Anodyne O=c1c(-c2nc3c(I)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110573 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587110575 KK Annotated Anodyne O=c1c(-c2nc3c(C(F)(F)F)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110579 KK Annotated Mild O=C(O)c1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587110582 KK Annotated Bother O=C(O)c1cc(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110586 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3cc21 ZINC000587110592 KK Annotated Anodyne Cc1c(Br)cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1C ZINC000587110594 KK Annotated Anodyne O=c1c(-c2nc3ncc(I)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110600 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587110601 KK Annotated Anodyne Cc1cc(Br)cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587110604 KK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc(C(F)(F)F)c1 ZINC000587110608 KK Annotated Mild O=c1c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110613 KK Annotated Bother O=c1c(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110614 KK Annotated Mild O=c1c(-c2nc3c(Cl)cc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110615 KK Annotated Anodyne O=c1c(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110617 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587110620 KK Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110621 KK Annotated Mild O=c1c(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110627 KK Annotated Mild O=c1c(-c2nc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110628 KK Annotated Anodyne N#Cc1cc(Br)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587110629 KK Annotated Mild O=c1c(-c2nc3ncc(Br)c(Cl)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110632 KK Annotated Anodyne O=C1CCc2cc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3cc2N1 ZINC000587110636 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587110637 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1C ZINC000587110648 KK Annotated Anodyne Cc1nc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1Br ZINC000587110652 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587110659 KK Annotated Mild O=c1c(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110661 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c21 ZINC000587110670 KK Annotated Clean CC1=C(c2ccc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3c2)NNC(=O)C1 ZINC000587110672 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587110674 KK Annotated Mild O=c1c(-c2nc3ncc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110676 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587110677 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110683 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3c2)cc1 ZINC000587110684 KK Annotated Anodyne O=c1c(-c2nc3cc(Cl)c([N+](=O)[O-])cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110690 KK Annotated Bother FC(F)(F)c1cc(-c2cccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110698 KK Annotated Bother O=c1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110701 KK Annotated Mild Fc1cnc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc12 ZINC000587110709 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc21 ZINC000587110710 KK Annotated Clean O=c1c(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110715 KK Annotated Mild O=c1c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110717 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110718 KK Annotated Mild Cc1c(Br)ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587110719 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110721 KK Annotated Anodyne O=c1c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110723 KK Annotated Bother O=c1c(-c2nc3c(Br)cc(F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110726 KK Annotated Mild COC(=O)c1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587110730 KK Annotated Mild O=c1c(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110736 KK Annotated Mild O=c1c(-c2nc3c(Br)c(F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110744 KK Annotated Mild O=c1c(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110749 KK Annotated Mild O=c1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110751 KK Annotated Mild O=c1c(-c2nc3c(F)cc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110757 KK Annotated Mild O=c1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110758 KK Annotated Reactive O=[N+]([O-])c1cc(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110760 KK Annotated Bother O=c1c(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110763 KK Annotated Mild O=c1c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110770 KK Annotated Mild O=c1c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110781 KK Annotated Mild FC(F)(F)Oc1cc(Br)cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 ZINC000587110788 KK Annotated Mild N#Cc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1C(F)(F)F ZINC000587110792 KK Annotated Mild O=c1c(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110796 KK Annotated Anodyne COc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Cl ZINC000587110798 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNC(=O)c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587110822 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587110825 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587110829 KK Annotated Clean FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110839 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110840 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587110842 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110850 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc1-2 ZINC000587110854 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110916 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587110919 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587110932 KK Annotated Anodyne O=c1c(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110934 KK Annotated Mild FC(F)(F)c1cc(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587110939 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc1-2 ZINC000587110953 KK Annotated Mild CCCCOc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587110957 KK Annotated Anodyne O=c1c(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110958 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1F ZINC000587110959 KK Annotated Mild O=c1c(-c2nc3nccc(Br)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110960 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587110971 KK Annotated Mild O=c1c(-c2nc3cc(F)c(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110977 KK Annotated Mild O=c1c(-c2nc3cc(Br)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587110985 KK Annotated Anodyne Cc1cc(Br)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587111005 KK Annotated Anodyne O=c1c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111006 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111007 KK Annotated Anodyne O=c1c(-c2nc3c(Br)ncc(Br)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111014 KK Annotated Anodyne O=c1c(-c2nc3c(Br)ncc(F)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111015 KK Annotated Mild CCOC(=O)c1cc(Br)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587111027 KK Annotated Anodyne Nc1ccc(Oc2ccc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3c2)cc1 ZINC000587111047 KK Annotated Clean FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111062 KK Annotated Mild CCCCOc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111065 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587111067 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587111072 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Br)cnc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111077 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cncc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111078 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111083 KK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2c1 ZINC000587111090 KK Annotated Anodyne Cc1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1[N+](=O)[O-] ZINC000587111093 KK Annotated Bother CC(C)COc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587111100 KK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587111101 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Cl)cnc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111105 KK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587111106 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587111111 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587111127 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111128 KK Annotated Anodyne O=C(c1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587111129 KK Annotated Anodyne C=CCc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111130 KK Annotated Mild O=C(O)c1cc(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111137 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111141 KK Annotated Mild Nc1ccc(-c2ccc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3c2)cc1N ZINC000587111142 KK Annotated Anodyne FC(F)(F)Oc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111143 KK Annotated Anodyne O=c1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111150 KK Annotated Mild CCCCCOc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587111152 KK Annotated Anodyne CC(C)Oc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111156 KK Annotated Anodyne O=c1c(-c2nc3nc(Br)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111161 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccnc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111166 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587111167 KK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111172 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587111175 KK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1C(F)(F)F ZINC000587111179 KK Annotated Mild O=C(c1ccccc1)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111182 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111188 KK Annotated Mild COc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587111189 KK Annotated Anodyne Cc1cc(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111199 KK Annotated Anodyne CC(C)(C)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111207 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c21 ZINC000587111209 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4ccc5ncccc5c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111214 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc5c(cc4[nH]3)OCCCO5)nnc2-c2ccccc2Br)c1 ZINC000587111218 KK Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1)N1CCOCC1 ZINC000587111219 KK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587111226 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3cc21 ZINC000587111236 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)cc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111239 KK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587111241 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Br)ccc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111243 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111246 KK Annotated Anodyne COc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111247 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111248 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111251 KK Annotated Mild CN(C)C(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111255 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Cl)nc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111269 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587111279 KK Annotated Bother FC1(F)Oc2cc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3cc2O1 ZINC000587111287 KK Annotated Anodyne Fc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c(F)c1F ZINC000587111291 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111295 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(S)nc(S)nc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111297 KK Annotated Anodyne CN1CCN(c2ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3c2)CC1 ZINC000587111298 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Cl)ccnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111307 KK Annotated Anodyne O=C(c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587111308 KK Annotated Anodyne CC1=C(c2ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3c2)NNC(=O)C1 ZINC000587111322 KK Annotated Anodyne Cc1c(Cl)ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111325 KK Annotated Anodyne OCCc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111350 KK Annotated Anodyne CCCOc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111358 KK Annotated Anodyne Oc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111361 KK Annotated Anodyne Nc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1N ZINC000587111375 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cccc(I)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111398 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111404 KK Annotated Anodyne O=C(O)c1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587111413 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587111428 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Oc5ccccc5)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111430 KK Annotated Anodyne Fc1ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c1Br ZINC000587111519 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c21 ZINC000587111548 KK Annotated Clean Fc1cc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587111567 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc(C(F)(F)F)c1 ZINC000587111582 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587111591 KK Annotated Clean CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111595 KK Annotated Anodyne O=c1c(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111605 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587111609 KK Annotated Bother O=c1c(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111612 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111616 KK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111617 KK Annotated Anodyne O=c1c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111618 KK Annotated Bother O=c1c(-c2nc3c(Br)nccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111620 KK Annotated Anodyne Cc1ccc2c(ccc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc32)n1 ZINC000587111630 KK Annotated Anodyne O=c1c(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111633 KK Annotated Mild O=C(NCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1cccc(C(F)(F)F)c1 ZINC000587111634 KK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c12 ZINC000587111641 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(-c6cc(C(F)(F)F)cc(C(F)(F)F)c6)c5)[nH]c4c3)o2)cc1 ZINC000587111643 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111664 KK Annotated Mild FC(F)(F)Oc1cc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111673 KK Annotated Mild N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587111675 KK Annotated Bother O=C(O)c1cc2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587111687 KK Annotated Bother FC(F)(F)c1cc(-c2cccc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111691 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111694 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)[nH]c3c2)cc1 ZINC000587111706 KK Annotated Clean O=c1c(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111730 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111744 KK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3c(I)cnc(Cl)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587111749 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111754 KK Annotated Bother O=c1c(-c2nc3c(Cl)ncc(I)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111769 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)[nH]c3cc21 ZINC000587111772 KK Annotated Clean O=c1c(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111787 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587111804 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4nc(Cl)c[nH]c-4n3)nnc2-c2ccccc2Br)c1 ZINC000587111825 KK Annotated Anodyne Cc1nc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1Br ZINC000587111840 KK Annotated Anodyne Cc1cc(F)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111841 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cccnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587111848 KK Annotated Anodyne CCOC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587111852 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587111855 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111863 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587111865 KK Annotated Anodyne CN(C)CCOc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587111866 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587111871 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587111873 KK Annotated Anodyne O=c1c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111880 KK Annotated Mild O=c1c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111891 KK Annotated Anodyne Oc1nc(S)nc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587111900 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111904 KK Annotated Anodyne O=c1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111921 KK Annotated Anodyne Fc1cnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111922 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccn(Cc5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4=O)nc3cc21 ZINC000587111932 KK Annotated Clean N#Cc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1C#N ZINC000587111939 KK Annotated Mild CCCCOc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587111942 KK Annotated Anodyne Cc1cc(C)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587111944 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111955 KK Annotated Anodyne Cn1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C(F)(F)F)c1 ZINC000587111957 KK Annotated Bother COC(=O)c1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1OC ZINC000587111959 KK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587111964 KK Annotated Anodyne COc1nccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111968 KK Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F ZINC000587111971 KK Annotated Anodyne N#Cc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587111976 KK Annotated Mild O=c1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587111990 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587112002 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587112005 KK Annotated Clean FC(F)(F)c1cc(CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587112007 KK Annotated Mild COC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112011 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112014 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587112019 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 ZINC000587112021 KK Annotated Mild O=C(O)c1cc(F)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112030 KK Annotated Anodyne O=c1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112032 KK Annotated Mild O=C(O)c1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587112035 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(C(F)(F)F)c3)nc1-2 ZINC000587112047 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112062 KK Annotated Bother FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Br)ncc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112067 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Br)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112077 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4nc(Br)c[nH]c-4n3)nnc2-c2ccccc2Br)c1 ZINC000587112085 KK Annotated Anodyne Cc1c(F)ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112093 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3cc21 ZINC000587112100 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587112105 KK Annotated Clean FC(F)(F)Oc1cc(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112107 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112109 KK Annotated Anodyne CCCCCOc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587112110 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587112111 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4c5cccnc5c5ncccc5c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112112 KK Annotated Bother Oc1nncc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112124 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112126 KK Annotated Reactive O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112127 KK Annotated Mild CCCCCOc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112135 KK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1C ZINC000587112136 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3cc21 ZINC000587112137 KK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1F ZINC000587112140 KK Annotated Mild FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)n2)cc1 ZINC000587112141 KK Annotated Reactive FC(F)(F)Oc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112142 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cnc(Cl)[nH]c-4n3)nnc2-c2ccccc2Br)c1 ZINC000587112144 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cnncc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112145 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Cl)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112148 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587112149 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Sc5ccccc5)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112152 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112156 KK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1C ZINC000587112159 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587112160 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112164 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112165 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112167 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Br)cnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112170 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587112172 KK Annotated Clean Cc1nc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1Br ZINC000587112173 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Br)ccnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112175 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(I)cnc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112223 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cccc(I)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112250 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(C)cc3C(F)(F)F)[nH]c21 ZINC000587112268 KK Annotated Clean CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587112341 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587112343 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112348 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4)[nH]c3cc21 ZINC000587112351 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112365 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112389 KK Annotated Reactive CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587112426 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587112427 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112488 KK Annotated Anodyne O=c1c(-c2nc3c(O)c(Br)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112517 KK Annotated Anodyne O=c1c(-c2nc3c(Cl)ncc(Br)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112526 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112531 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112553 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112556 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CSc5nnc(-c6ccccc6Br)n5-c5cccc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587112561 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112562 KK Annotated Anodyne O=c1c(-c2nc3cc(I)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112577 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc5ccc(C(F)(F)F)cc5c4)[nH]c3cc21 ZINC000587112582 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112591 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112592 KK Annotated Mild CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CSc5nnc(-c6ccccc6Br)n5-c5cccc(C(F)(F)F)c5)[nH]c4c3)cc2)CC1 ZINC000587112593 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112594 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587112602 KK Annotated Anodyne O=c1c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112603 KK Annotated Mild O=C(CSCc1nc2c(I)cnc(Cl)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112604 KK Annotated Anodyne O=c1c(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112611 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112612 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CSc5nnc(-c6ccccc6Br)n5-c5cccc(C(F)(F)F)c5)[nH]c4c3)cc2)CC1 ZINC000587112614 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587112618 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587112632 KK Annotated Anodyne Nc1nccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112637 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c12 ZINC000587112639 KK Annotated Mild COC(=O)c1ccnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587112640 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112642 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112647 KK Annotated Anodyne O=c1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112655 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112657 KK Annotated Bother FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Br)nc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112661 KK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1OC ZINC000587112664 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCc5cc(C(F)(F)F)cc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587112667 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587112668 KK Annotated Bother O=c1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112670 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cncc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112671 KK Annotated Anodyne O=C(O)c1cc(Br)cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc12 ZINC000587112674 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cnccc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112675 KK Annotated Anodyne CCOC(=O)Cc1ccc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2c1 ZINC000587112678 KK Annotated Anodyne Oc1c(Br)ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112692 KK Annotated Anodyne COc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112695 KK Annotated Anodyne N#Cc1nc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2nc1C#N ZINC000587112700 KK Annotated Mild O=c1c(-c2nc3cc(Br)c(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112702 KK Annotated Anodyne Fc1cc(Cl)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112703 KK Annotated Anodyne Oc1nc2cc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3cc2[nH]1 ZINC000587112704 KK Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587112705 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112707 KK Annotated Reactive O=C1CCc2cc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3cc2N1 ZINC000587112709 KK Annotated Anodyne O=c1c(-c2nc3cnc(Br)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112710 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc5c(cc4[nH]3)OCCO5)nnc2-c2ccccc2Br)c1 ZINC000587112711 KK Annotated Anodyne O=c1c(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112714 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc21 ZINC000587112716 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)c(Cl)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112717 KK Annotated Anodyne O=c1c(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112719 KK Annotated Bother O=c1c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112721 KK Annotated Anodyne Fc1cc(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112722 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112724 KK Annotated Anodyne O=c1c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112730 KK Annotated Mild Cc1cnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112736 KK Annotated Anodyne FC(F)(F)Oc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112738 KK Annotated Anodyne Oc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112739 KK Annotated Anodyne CS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112740 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112742 KK Annotated Reactive FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)cc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112743 KK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1Cl ZINC000587112744 KK Annotated Anodyne O=C(CSCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112747 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Oc5ccc(C(F)(F)F)cc5)cc4)nc3cc21 ZINC000587112749 KK Annotated Clean Cc1cc2[nH]c(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)nc2cc1Br ZINC000587112753 KK Annotated Anodyne CCCOc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587112761 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2cc1Br ZINC000587112763 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112770 KK Annotated Anodyne O=c1c(-c2nc3c(Br)ccc(Br)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112774 KK Annotated Anodyne O=c1c(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112775 KK Annotated Mild COC(=O)c1cc2nc(-c3cccn(Cc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3=O)[nH]c2cc1OC ZINC000587112779 KK Annotated Anodyne O=c1c(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112782 KK Annotated Mild O=c1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112784 KK Annotated Anodyne Fc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112791 KK Annotated Anodyne O=c1c(-c2nc3c(F)c(Br)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112798 KK Annotated Mild O=c1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587112806 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112808 KK Annotated Anodyne FC(F)(F)c1cc(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(C(F)(F)F)c1 ZINC000587112811 KK Annotated Mild O=C(CSCc1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587112812 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc5c(c4[nH]3)CCCC5)nnc2-c2ccccc2Br)c1 ZINC000587112813 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c5ccccc5c5ccccc5c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112814 KK Annotated Bother FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112819 KK Annotated Mild Cc1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c(C)n1 ZINC000587112820 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cccc(OCc5ccccc5)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112826 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc5ccccc5cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112827 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cnc5ccccc5c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112832 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)ncc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587112834 KK Annotated Anodyne Nc1ncnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587112835 KK Annotated Anodyne Fc1cc(F)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587112838 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc21 ZINC000587112839 KK Annotated Clean Nc1ccnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587112840 KK Annotated Anodyne CC(C)(C)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587112843 KK Annotated Anodyne Cc1cc(Cl)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587112845 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)n2)cc1 ZINC000587112847 KK Annotated Anodyne Cc1ccc2c(ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c32)n1 ZINC000587112849 KK Annotated Anodyne Fc1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1-n1cccn1 ZINC000587112860 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c12 ZINC000587112871 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587112881 KK Annotated Mild FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2c1 ZINC000587112884 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112885 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c21 ZINC000587112899 KK Annotated Clean CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587112930 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587112933 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112946 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587112950 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@](C)(NC(C)=O)c5cccc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587112993 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@](C)(NC(C)=O)c5cccc(C(F)(F)F)c5)[nH]c4c3)o2)cc1 ZINC000587112996 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113010 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc-2[nH]1 ZINC000587113032 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587113046 KK Annotated Mild FC(F)(F)c1cc(-c2cccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113075 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1Br ZINC000587113109 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587113143 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587113156 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)nc1-2 ZINC000587113165 KK Annotated Anodyne FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc(C(F)(F)F)c1 ZINC000587113223 KK Annotated Anodyne Fc1cc2[nH]c(-c3cccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)nc2cc1Br ZINC000587113244 KK Annotated Mild CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587113250 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587113251 KK Annotated Anodyne Cc1ccnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587113280 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587113282 KK Annotated Clean O=S(=O)(O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113286 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1[N+](=O)[O-] ZINC000587113292 KK Annotated Bother O=C(O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113301 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113302 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cccc(C(F)(F)F)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113305 KK Annotated Anodyne Cc1c(Br)ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113326 KK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1C ZINC000587113327 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Br)cc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113328 KK Annotated Anodyne Oc1nccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113329 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113331 KK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113336 KK Annotated Bother OCc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113337 KK Annotated Anodyne Oc1ncnc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587113347 KK Annotated Anodyne NC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113349 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)[nH]c3c2)cc1N ZINC000587113350 KK Annotated Anodyne Fc1c(Br)ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113352 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 ZINC000587113353 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc1-2 ZINC000587113368 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)c(Cl)nc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113369 KK Annotated Anodyne Cc1nccc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587113371 KK Annotated Anodyne COc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587113376 KK Annotated Anodyne O=[N+]([O-])c1cncc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113379 KK Annotated Bother FC(F)(F)c1cccc(-n2c(SCc3nc4c(I)cnc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113386 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc-2[nH]1 ZINC000587113389 KK Annotated Anodyne Fc1c(Cl)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1F ZINC000587113393 KK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1OC ZINC000587113397 KK Annotated Anodyne NC(=O)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113401 KK Annotated Anodyne COC(=O)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113402 KK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587113403 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)cnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113407 KK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587113408 KK Annotated Anodyne Cc1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113416 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Br)cnc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113423 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc5nc6ccccc6nc5cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113426 KK Annotated Bother CCCCCCCCOc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587113431 KK Annotated Mild Fc1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1Br ZINC000587113435 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587113436 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587113438 KK Annotated Bother O=[N+]([O-])c1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587113442 KK Annotated Bother N#Cc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113449 KK Annotated Mild FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)cc1 ZINC000587113453 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cnc(C(F)(F)F)[nH]c-4n3)nnc2-c2ccccc2Br)c1 ZINC000587113454 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc1-2 ZINC000587113456 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113457 KK Annotated Anodyne Fc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113458 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Br)c(Br)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113459 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113462 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(Cn5nnc(-c6ccc(C(F)(F)F)cc6)n5)[nH]c4c3)o2)cc1 ZINC000587113463 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)ncc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113467 KK Annotated Anodyne Oc1nc(O)c2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2n1 ZINC000587113472 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(I)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113478 KK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587113544 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587113551 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Cc4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587113552 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587113558 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587113614 KK Annotated Bother CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587113616 KK Annotated Bother CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587113622 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587113623 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587113686 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587113689 KK Annotated Anodyne FC(F)(F)c1ccc2ncc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2c1 ZINC000587113714 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c3cc21 ZINC000587113768 KK Annotated Clean COC(=O)c1cc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587113796 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587113797 KK Annotated Anodyne O=[N+]([O-])c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113806 KK Annotated Bother FC(F)(F)c1cccc(-n2c(SCc3nc4cc(I)cnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113809 KK Annotated Anodyne COC(=O)c1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587113811 KK Annotated Anodyne N=c1[nH]c2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc-2c(Cl)[nH]1 ZINC000587113812 KK Annotated Anodyne N#Cc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1C(F)(F)F ZINC000587113818 KK Annotated Mild O=C(CSCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587113823 KK Annotated Anodyne COc1cc(OC)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113827 KK Annotated Anodyne N=c1[nH]cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc-2[nH]1 ZINC000587113830 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc5c(cc4[nH]3)OCO5)nnc2-c2ccccc2Br)c1 ZINC000587113849 KK Annotated Anodyne Fc1c(Br)cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1F ZINC000587113860 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(CN5CCOCC5)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113863 KK Annotated Anodyne NNC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113866 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c21 ZINC000587113872 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(C(F)(F)F)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113873 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ncc[nH]c-4n3)nnc2-c2ccccc2Br)c1 ZINC000587113878 KK Annotated Anodyne Fc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1F ZINC000587113880 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Cl)nc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113884 KK Annotated Anodyne FC(F)(F)Sc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113886 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cncc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113894 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113896 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Cl)c(Br)cnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113899 KK Annotated Anodyne Cc1cncc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113902 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587113903 KK Annotated Bother FC(F)(F)c1cccc(-n2c(SCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)nnc2-c2ccccc2Br)c1 ZINC000587113914 KK Annotated Anodyne Fc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1F ZINC000587113920 KK Annotated Anodyne CC(C)Oc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113923 KK Annotated Anodyne O=C(O)c1cccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587113946 KK Annotated Anodyne CCc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113951 KK Annotated Anodyne COC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113960 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587113961 KK Annotated Anodyne N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587113971 KK Annotated Mild FC(F)(F)c1cccc(-n2c(SCc3nc4ccnc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113975 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)cnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113980 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587113982 KK Annotated Mild FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(OCc5ccccc5)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113983 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc12 ZINC000587113984 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Cl)c(Cl)cnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113986 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc5cn[nH]c5cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587113990 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114003 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cccc(Cl)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114011 KK Annotated Anodyne Cc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1C ZINC000587114014 KK Annotated Anodyne COc1cncc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c12 ZINC000587114018 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587114038 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587114040 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114066 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114068 KK Annotated Anodyne Cc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl ZINC000587114070 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cncnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114079 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114080 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587114082 KK Annotated Bother Fc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1Br ZINC000587114099 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114102 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4c(Cl)ncnc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114112 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114114 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587114123 KK Annotated Clean FC(F)(F)c1cccc(-n2c(SCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114124 KK Annotated Anodyne CSc1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114125 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Br ZINC000587114126 KK Annotated Mild CC(=O)c1ccc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2c1 ZINC000587114129 KK Annotated Anodyne Nc1cc2nc(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)[nH]c2cn1 ZINC000587114135 KK Annotated Anodyne FC(F)(F)c1cccc(-n2c(SCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)nnc2-c2ccccc2Br)c1 ZINC000587114137 KK Annotated Anodyne O=C1COc2cc3[nH]c(CSc4nnc(-c5ccccc5Br)n4-c4cccc(C(F)(F)F)c4)nc3cc2N1 ZINC000587114140 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587114143 KK Annotated Reactive CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587114144 KK Annotated Reactive N#Cc1cc(Cl)c2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2c1 ZINC000587114147 KK Annotated Mild COC(=O)c1cc2[nH]c(CSc3nnc(-c4ccccc4Br)n3-c3cccc(C(F)(F)F)c3)nc2cc1OC ZINC000587114151 KK Annotated Anodyne O=C(CSCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114178 KK Annotated Reactive O=C(CSCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114186 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587114217 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2c1 ZINC000587114237 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c21 ZINC000587114246 KK Annotated Clean CCCCCOc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114250 KK Annotated Anodyne CCCCCOc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114252 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587114303 KK Annotated Clean O=C(CSCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114318 KK Annotated Anodyne CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587114329 KK Annotated Anodyne CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587114331 KK Annotated Anodyne COC(=O)c1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587114341 KK Annotated Anodyne COC(=O)c1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587114349 KK Annotated Anodyne O=C(CSCc1nc2c(Br)cnc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114350 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@](C)(NC(C)=O)c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587114375 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@](C)(NC(C)=O)c4cccc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587114379 KK Annotated Clean O=C(CSCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114441 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114458 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSCC(=O)Nc4ccc(C(F)(F)F)cc4)[nH]c3cc21 ZINC000587114468 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114473 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)nc2n1 ZINC000587114496 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114501 KK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)nc2n1 ZINC000587114510 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114512 KK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)nc2n1 ZINC000587114520 KK Annotated Clean CCOC(=O)c1cnn(-c2ccc(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2)c1C(F)(F)F ZINC000587114526 KK Annotated Clean CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)c1C(F)(F)F ZINC000587114527 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nc2n1 ZINC000587114529 KK Annotated Reactive CCCCCOc1cc2[nH]c(-c3ccc(-n4ncc(C(=O)OCC)c4C(F)(F)F)cc3)nc2cc1Br ZINC000587114535 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)c1C(F)(F)F ZINC000587114537 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(-n4ncc(C(=O)OCC)c4C(F)(F)F)cc3)nc2cc1Br ZINC000587114547 KK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(I)cc4[nH]3)nc2n1 ZINC000587114548 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(Br)c(OC(C)C)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114554 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114561 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Br ZINC000587114562 KK Annotated Mild C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587114571 KK Annotated Anodyne C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587114572 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSCC(=O)Nc4ccc(C(F)(F)F)cc4)[nH]c3cc21 ZINC000587114596 KK Annotated Clean C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587114631 KK Annotated Reactive C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587114632 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587114641 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c21 ZINC000587114643 KK Annotated Clean O=C(CSCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114647 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)c1C(F)(F)F ZINC000587114719 KK Annotated Bother O=C(CSCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114732 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c1C(F)(F)F ZINC000587114743 KK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)nc2n1 ZINC000587114752 KK Annotated Anodyne O=C(CSCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 ZINC000587114766 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)nc2n1 ZINC000587114803 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(I)cnc4[nH]3)nc2n1 ZINC000587114804 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)cc(Cl)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114820 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(-n4ncc(C(=O)OCC)c4C(F)(F)F)cc3)nc2cc1Br ZINC000587114831 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(I)cnc(Cl)c4[nH]3)nc2n1 ZINC000587114832 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)cc2)c1C(F)(F)F ZINC000587114846 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(I)c4[nH]3)nc2n1 ZINC000587114853 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(Br)c(OCC(C)C)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587114868 KK Annotated Anodyne C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587114934 KK Annotated Bother C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587114935 KK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(=O)OC)cc(Br)c4[nH]3)nc2n1 ZINC000587114946 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)nc2n1 ZINC000587114954 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)nc2n1 ZINC000587114999 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Br)cnc(Cl)c4[nH]3)nc2n1 ZINC000587115005 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)nc2n1 ZINC000587115019 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc(C(=O)O)c4[nH]3)nc2n1 ZINC000587115021 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nc2n1 ZINC000587115028 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Br)ccc(Br)c4[nH]3)nc2n1 ZINC000587115037 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Cl)cc(Br)c4[nH]3)nc2n1 ZINC000587115041 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)nc2n1 ZINC000587115044 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115048 KK Annotated Mild CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(Br)c(OCCC(C)C)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115066 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)nc2n1 ZINC000587115070 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)nc2n1 ZINC000587115073 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587115084 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115106 KK Annotated Reactive CCCCCOc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115128 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115133 KK Annotated Mild CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115135 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587115151 KK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)nc2n1 ZINC000587115154 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)nc2n1 ZINC000587115160 KK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)nc2n1 ZINC000587115181 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)nc2n1 ZINC000587115198 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)nc2n1 ZINC000587115212 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)nc2n1 ZINC000587115214 KK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Br)cnc(Br)c4[nH]3)nc2n1 ZINC000587115220 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)nc2n1 ZINC000587115226 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587115234 KK Annotated Anodyne CCCOc1cc2nc(CSc3cc(C(F)(F)F)c4cn(CCC)nc4n3)[nH]c2cc1Br ZINC000587115246 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 ZINC000587115254 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)nc2n1 ZINC000587115264 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4cc5c(cc4[nH]3)C(=O)OC53c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2)c1C(F)(F)F ZINC000587115266 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)nc2n1 ZINC000587115279 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)nc2n1 ZINC000587115293 KK Annotated Clean CCOC(=O)c1cnn(-c2ccc(-c3nc4c5c(ccc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2)c1C(F)(F)F ZINC000587115295 KK Annotated Clean CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)nc2n1 ZINC000587115307 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115311 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)N(CC)CC)cc4[nH]3)nc2n1 ZINC000587115314 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115320 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)c1C(F)(F)F ZINC000587115323 KK Annotated Anodyne FC(F)(F)c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(Br)cn1 ZINC000587115334 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nc2n1 ZINC000587115344 KK Annotated Reactive CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)nc2n1 ZINC000587115356 KK Annotated Anodyne CCCCOc1cc2nc(CSc3cc(C(F)(F)F)c4cn(CCC)nc4n3)[nH]c2cc1Br ZINC000587115361 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)nc2n1 ZINC000587115369 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC(C)C)c(Br)cc4[nH]3)nc2n1 ZINC000587115375 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)nc2n1 ZINC000587115381 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)nc2n1 ZINC000587115385 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)nc2n1 ZINC000587115393 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)c(F)c(F)c4[nH]3)nc2n1 ZINC000587115401 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(Cl)c(Br)cnc4[nH]3)nc2n1 ZINC000587115407 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3cc(C(F)(F)F)c4cn(CCC)nc4n3)[nH]c2cc1Br ZINC000587115427 KK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)nc2n1 ZINC000587115435 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(C)cc4C(F)(F)F)[nH]c3cc21 ZINC000587115436 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c1C(F)(F)F ZINC000587115445 KK Annotated Bother FC(F)(F)c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(Br)cn1 ZINC000587115474 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)nc2n1 ZINC000587115490 KK Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(CSc3cc(C(F)(F)F)c4cn(CCC)nc4n3)[nH]c2c1 ZINC000587115496 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115502 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115518 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)nc2n1 ZINC000587115524 KK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2cc1Br ZINC000587115528 KK Annotated Anodyne CCOC(=O)c1cnn(-c2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)c1C(F)(F)F ZINC000587115534 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(=O)OCC)cc(Br)c4[nH]3)nc2n1 ZINC000587115549 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 ZINC000587115555 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc(Cl)c4[nH]3)nc2n1 ZINC000587115559 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)nc2n1 ZINC000587115584 KK Annotated Bother CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)c(Br)cc4[nH]3)nc2n1 ZINC000587115598 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)nc2n1 ZINC000587115602 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)nc2n1 ZINC000587115629 KK Annotated Mild CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)nc2n1 ZINC000587115660 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cncc(C(F)(F)F)c4)[nH]c3cc21 ZINC000587115697 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cncc(C(F)(F)F)c3)[nH]c21 ZINC000587115706 KK Annotated Clean CCCCCOc1cc2nc(CSc3cc(C(F)(F)F)c4cn(CCC)nc4n3)[nH]c2cc1Br ZINC000587115710 KK Annotated Anodyne CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)nc2n1 ZINC000587115722 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587115752 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3cc21 ZINC000587115882 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000587115893 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587115921 KK Annotated Bother FC(F)(F)c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(Br)cn1 ZINC000587115937 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3cc21 ZINC000587115954 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc4cnccc4nc3C(F)(F)F)nc1-2 ZINC000587115960 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3cc21 ZINC000587116017 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c21 ZINC000587116043 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(C(F)(F)F)ncc5Br)[nH]c4c3)o2)cc1 ZINC000587116063 KK Annotated Anodyne FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587116086 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)cc1 ZINC000587116101 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c21 ZINC000587116154 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3cc21 ZINC000587116178 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587116182 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 ZINC000587116186 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)cc1 ZINC000587116243 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c3cc21 ZINC000587116252 KK Annotated Clean CC(C)CCOc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587116307 KK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587116316 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CCn5nc(C(F)(F)F)c(Cl)c5C5CC5)[nH]c4c3)o2)cc1 ZINC000587116330 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116342 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(I)cnc(Cl)c3[nH]2)c(C2CC2)c1Cl ZINC000587116358 KK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587116377 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(C(F)(F)F)ncc3Br)nc1-2 ZINC000587116384 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1Br ZINC000587116421 KK Annotated Mild FC(F)(F)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Br)cn1 ZINC000587116427 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c2cc1Br ZINC000587116472 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 ZINC000587116488 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116554 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116555 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)c(Br)cc3[nH]2)c(C2CC2)c1Cl ZINC000587116585 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCn5nc(C(F)(F)F)c(Cl)c5C5CC5)[nH]c4c3)cc2)CC1 ZINC000587116599 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3cc21 ZINC000587116642 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587116731 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587116732 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 ZINC000587116743 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587116745 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587116749 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587116750 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587116755 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3cc21 ZINC000587116773 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c21 ZINC000587116774 KK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587116778 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587116782 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587116783 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587116784 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1OC ZINC000587116792 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1OC ZINC000587116794 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587116799 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587116802 KK Annotated Anodyne CCCCOc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587116805 KK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587116808 KK Annotated Mild CCCCOc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587116809 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587116838 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(I)cc2[nH]1 ZINC000587116848 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(I)cc2[nH]1 ZINC000587116850 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587116852 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587116855 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587116857 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587116862 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sc([C@@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3c2)cc1 ZINC000587116866 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc1-2 ZINC000587116868 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sc([C@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3c2)cc1 ZINC000587116870 KK Annotated Anodyne CC(C)COc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587116871 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587116872 KK Annotated Anodyne COC(=O)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587116873 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587116876 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587116880 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587116882 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587116884 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587116886 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c21 ZINC000587116896 KK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587116898 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587116904 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587116905 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587116906 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587116912 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587116914 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C2CC2)c1Cl ZINC000587116919 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587116934 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587116936 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c21 ZINC000587116949 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587116981 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116988 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)cnc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587116990 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 ZINC000587116991 KK Annotated Anodyne Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587117015 KK Annotated Reactive Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587117065 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587117068 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)ccc(Br)c3[nH]2)cc1Br ZINC000587117073 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587117097 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587117100 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587117101 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587117102 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587117105 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587117108 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587117111 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117116 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587117118 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587117119 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c3cc21 ZINC000587117122 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587117127 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587117130 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117132 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587117133 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587117148 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1Br ZINC000587117175 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587117181 KK Annotated Anodyne CCCCOc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587117186 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3cc21 ZINC000587117192 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117194 KK Annotated Bother O=C(O)c1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587117202 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587117223 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587117225 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587117236 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117238 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587117244 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117262 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(Cl)c(C(F)(F)F)nn4C)[nH]c3cc21 ZINC000587117277 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3c2)cc1 ZINC000587117288 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587117290 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587117297 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587117307 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587117309 KK Annotated Anodyne FC(F)(F)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117324 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117328 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(CCn5cc(Br)c(C(F)(F)F)n5)[nH]c4c3)o2)cc1 ZINC000587117332 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587117335 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587117336 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587117342 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587117346 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587117366 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587117370 KK Annotated Anodyne CCCCCOc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587117372 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587117382 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587117394 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587117399 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587117419 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)ncc(Br)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587117424 KK Annotated Bother CCCCCOc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587117444 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587117453 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587117472 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3cc21 ZINC000587117484 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587117495 KK Annotated Bother CCCCCCCCOc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587117503 KK Annotated Mild FC(F)(F)c1nn(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587117512 KK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587117513 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3cc21 ZINC000587117520 KK Annotated Clean Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587117530 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCn3ccc(C(F)(F)F)n3)[nH]c21 ZINC000587117532 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3cc21 ZINC000587117541 KK Annotated Clean O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(C(F)(F)F)cc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117564 KK Annotated Mild FC(F)(F)c1nn(CCc2nc3cc(Br)c(Br)cc3[nH]2)cc1Br ZINC000587117578 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C2CC2)c1Cl ZINC000587117587 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(Cl)c(C(F)(F)F)nn3C)[nH]c21 ZINC000587117591 KK Annotated Clean O=C(O)c1cc2[nH]c(CCn3ccc(C(F)(F)F)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587117601 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117614 KK Annotated Bother Cc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587117628 KK Annotated Anodyne Cc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587117629 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587117641 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587117642 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587117650 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587117651 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587117661 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587117662 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587117671 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587117672 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587117683 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587117684 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587117685 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587117686 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587117690 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587117692 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587117701 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587117732 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587117733 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587117739 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587117742 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587117744 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c21 ZINC000587117752 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3cc21 ZINC000587117761 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587117764 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c21 ZINC000587117767 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nc(C(F)(F)F)c([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587117769 KK Annotated Clean FC(F)(F)Oc1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587117776 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117781 KK Annotated Bother FC(F)(F)c1nn(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000587117785 KK Annotated Reactive O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Cl)c(OC(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587117796 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587117800 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587117804 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587117813 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3cc21 ZINC000587117816 KK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587117819 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc([C@@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3cc21 ZINC000587117850 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc([C@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3cc21 ZINC000587117861 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 ZINC000587117864 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587117865 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587117870 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587117878 KK Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C2CC2)c1Cl ZINC000587117882 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587117906 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3c(Br)ccc(Br)c3[nH]2)c(C2CC2)c1Cl ZINC000587117919 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587117922 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587117924 KK Annotated Bother FC(F)(F)c1cc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2cc1Br ZINC000587117927 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4ncc(Br)c(Cl)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587117936 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(CCn4nc(C(F)(F)F)c(Cl)c4C4CC4)[nH]c3c2)cc1 ZINC000587117937 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3nc(C(F)(F)F)c([N+](=O)[O-])c3C)[nH]c2cc1Br ZINC000587117997 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3cc21 ZINC000587118000 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)nc2c1 ZINC000587118024 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 ZINC000587118043 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c2c1 ZINC000587118048 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc21 ZINC000587118075 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc21 ZINC000587118097 KK Annotated Clean O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587118110 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118130 KK Annotated Bother COC(=O)c1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c(F)c1Nc1ccccc1 ZINC000587118167 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 ZINC000587118192 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587118230 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587118231 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587118232 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587118233 KK Annotated Anodyne FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587118240 KK Annotated Reactive Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587118241 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587118242 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587118243 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587118244 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587118247 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587118248 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587118254 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587118255 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587118256 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587118257 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587118264 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587118265 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc([C@@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3c2)cc1 ZINC000587118266 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc([C@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3c2)cc1 ZINC000587118267 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587118268 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587118269 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587118287 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587118317 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587118322 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587118333 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(Cn5cc([N+](=O)[O-])c(C(F)(F)F)n5)cc4)nc3cc21 ZINC000587118339 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587118341 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587118344 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587118349 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587118353 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587118356 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587118378 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587118379 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587118380 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587118383 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587118421 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)[nH]c12 ZINC000587118424 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587118425 KK Annotated Reactive CC(C)COc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587118435 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118451 KK Annotated Reactive Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587118491 KK Annotated Bother FC(F)(F)c1nn(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1Br ZINC000587118502 KK Annotated Anodyne COC(=O)c1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587118515 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118549 KK Annotated Mild CC(C)Oc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587118557 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCn4cc(Br)c(C(F)(F)F)n4)[nH]c3cc21 ZINC000587118573 KK Annotated Clean Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587118576 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5cc(Cn6ccc(C(F)(F)F)n6)on5)nc4c3)o2)cc1 ZINC000587118599 KK Annotated Anodyne FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)no2)n1 ZINC000587118607 KK Annotated Reactive FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)no2)n1 ZINC000587118614 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCn4ccc(C(F)(F)F)n4)[nH]c3cc21 ZINC000587118633 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587118729 KK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587118730 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587118731 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587118732 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587118743 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587118744 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587118745 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)cc2[nH]1 ZINC000587118746 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587118747 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587118748 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587118749 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587118750 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587118752 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587118753 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587118758 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587118759 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587118788 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2c1 ZINC000587118791 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587118793 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587118796 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587118801 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587118803 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587118813 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587118815 KK Annotated Anodyne COC(=O)c1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587118816 KK Annotated Anodyne COC(=O)c1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587118819 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587118820 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587118821 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587118833 KK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587118836 KK Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)cc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118847 KK Annotated Bother CCCCCCCCOc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587118866 KK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587118868 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587118870 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587118872 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587118874 KK Annotated Bother CC(C)COc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587118896 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587118897 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(Cl)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118907 KK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587118914 KK Annotated Mild O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118918 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587118926 KK Annotated Bother CCCCCCCCOc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587118937 KK Annotated Mild O=C(O)c1cc2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587118944 KK Annotated Bother FC(F)(F)Oc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587119014 KK Annotated Anodyne FC(F)(F)c1nn(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1Br ZINC000587119020 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587119057 KK Annotated Bother CC(C)CCOc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587119059 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119064 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c([N+](=O)[O-])c(Br)ccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119084 KK Annotated Bother CCCCCCCCOc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Br ZINC000587119148 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C(F)(F)F)nn4C)[nH]c3cc21 ZINC000587119158 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C(F)(F)F)nn3C)[nH]c21 ZINC000587119161 KK Annotated Clean Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587119167 KK Annotated Reactive Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587119184 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000587119191 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000587119193 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587119204 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587119209 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587119210 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Br)c(C(F)(F)F)cc4[nH]3)n2n1 ZINC000587119211 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587119212 KK Annotated Anodyne Cc1nc2[nH]c(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1Br ZINC000587119215 KK Annotated Anodyne Cc1nc2[nH]c(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)nc2cc1Br ZINC000587119221 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587119226 KK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587119228 KK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587119238 KK Annotated Clean COC(=O)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119240 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587119242 KK Annotated Clean Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587119246 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587119247 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587119249 KK Annotated Reactive Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587119250 KK Annotated Reactive FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Br)c(Br)cc4[nH]3)n2n1 ZINC000587119261 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(I)c2[nH]1 ZINC000587119270 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(I)c2[nH]1 ZINC000587119271 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc(Br)c2[nH]1 ZINC000587119276 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cncc(Br)c2[nH]1 ZINC000587119278 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587119288 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587119302 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 ZINC000587119316 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5sc([C@@H](C)Cn6nc(C(F)(F)F)cc6C6CC6)nc5C)[nH]c4c3)o2)cc1 ZINC000587119329 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc([C@H](C)Cn6nc(C(F)(F)F)cc6C6CC6)nc5C)[nH]c4c3)o2)cc1 ZINC000587119333 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119345 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587119348 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587119352 KK Annotated Bother CCOC(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119367 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119369 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587119374 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587119375 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587119376 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587119378 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587119386 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587119387 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587119394 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587119396 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587119426 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 ZINC000587119435 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(I)cccc4[nH]3)n2n1 ZINC000587119464 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 ZINC000587119477 KK Annotated Anodyne O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)nc1C(F)(F)F ZINC000587119479 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119481 KK Annotated Bother O=C(O)c1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587119530 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(I)cccc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119546 KK Annotated Bother CCCCCCCCOc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Br ZINC000587119548 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c21 ZINC000587119563 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587119564 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Br ZINC000587119575 KK Annotated Mild Oc1nc(NCc2ccccc2)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc-2[nH]1 ZINC000587119589 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc2cc1Br ZINC000587119592 KK Annotated Bother O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c([N+](=O)[O-])cc(Br)cc4[nH]3)cc2)nc1C(F)(F)F ZINC000587119594 KK Annotated Bother FC(F)(F)Oc1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119597 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Cn4cc([N+](=O)[O-])c(C(F)(F)F)n4)cc3)nc21 ZINC000587119605 KK Annotated Clean CCCCOc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1Br ZINC000587119620 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587119692 KK Annotated Bother Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587119693 KK Annotated Bother Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587119703 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587119705 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587119709 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587119711 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587119712 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587119713 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587119716 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587119717 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587119718 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587119719 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587119721 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587119722 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587119734 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587119735 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587119745 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587119746 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587119747 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587119748 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587119750 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587119751 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119752 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119753 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587119755 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587119756 KK Annotated Anodyne CCCOc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587119757 KK Annotated Anodyne CCCOc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587119758 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587119761 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587119762 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587119773 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587119774 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587119792 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587119798 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587119799 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c(F)c1Nc1ccccc1 ZINC000587119812 KK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2c1CCCC2 ZINC000587119814 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587119821 KK Annotated Bother FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)ncc(Br)c4[nH]3)n2n1 ZINC000587119829 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587119839 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119854 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)n2n1 ZINC000587119865 KK Annotated Reactive FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Cl)ncc(I)c4[nH]3)n2n1 ZINC000587119866 KK Annotated Anodyne FC(F)(F)c1nn(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2c1CCCC2 ZINC000587119887 KK Annotated Reactive FC(F)(F)Oc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587119893 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587119901 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2cc1Br ZINC000587119902 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119905 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1 ZINC000587119906 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587119907 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587119908 KK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587119909 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587119910 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587119912 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587119913 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4sc([C@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587119922 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4sc([C@@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3c2)NNC(=O)C1 ZINC000587119923 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587119928 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587119929 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587119930 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587119931 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(Br)c2[nH]1 ZINC000587119932 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cccc(Br)c2[nH]1 ZINC000587119933 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3sc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1OC ZINC000587119934 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3sc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)nc3C)[nH]c2c1OC ZINC000587119935 KK Annotated Anodyne Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587119937 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587119938 KK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587119939 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587119940 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 ZINC000587119943 KK Annotated Mild Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587119944 KK Annotated Anodyne Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587119945 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc([C@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3cc21 ZINC000587119951 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc([C@@H](C)Cn5nc(C(F)(F)F)cc5C5CC5)nc4C)[nH]c3cc21 ZINC000587119952 KK Annotated Clean Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587119956 KK Annotated Mild Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587119957 KK Annotated Mild FC(F)(F)c1cc(Br)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587119959 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119962 KK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587119967 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c12 ZINC000587119975 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3cc21 ZINC000587119983 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(I)ccc4[nH]3)n2n1 ZINC000587119987 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2c1 ZINC000587119999 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)ccc(Br)c4[nH]3)n2n1 ZINC000587120011 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)n2n1 ZINC000587120025 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3cc21 ZINC000587120066 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc21 ZINC000587120105 KK Annotated Clean FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(C(F)(F)F)c(Br)ccc4[nH]3)n2n1 ZINC000587120108 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120114 KK Annotated Bother CCCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587120115 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3cc21 ZINC000587120118 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587120123 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587120132 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)n2n1 ZINC000587120134 KK Annotated Reactive FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587120200 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587120263 KK Annotated Mild CC(C)CCOc1cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2cc1Br ZINC000587120264 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 ZINC000587120267 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c21 ZINC000587120275 KK Annotated Clean FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(C(F)(F)F)cc(Br)cc4[nH]3)n2n1 ZINC000587120297 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 ZINC000587120303 KK Annotated Mild O=[N+]([O-])c1cc(Br)cc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 ZINC000587120315 KK Annotated Bother O=C(O)c1cc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587120318 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3cc21 ZINC000587120358 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587120365 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c21 ZINC000587120377 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3cc21 ZINC000587120420 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c21 ZINC000587120424 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3cc21 ZINC000587120482 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Br ZINC000587120528 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Br ZINC000587120552 KK Annotated Mild Fc1c(F)c(F)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1F ZINC000587120563 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc1-2 ZINC000587120567 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c21 ZINC000587120584 KK Annotated Clean FC(F)(F)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120590 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)cc(Cl)c4[nH]3)nn12 ZINC000587120592 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 ZINC000587120593 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587120594 KK Annotated Anodyne CCCOc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587120596 KK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120605 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4cc(-c5ccccc5)nc5cc(C(F)(F)F)nn45)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587120608 KK Annotated Anodyne N#Cc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1C(F)(F)F ZINC000587120610 KK Annotated Mild N[C@H](N=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120614 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120615 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120617 KK Annotated Anodyne COc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Cl ZINC000587120618 KK Annotated Anodyne FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587120631 KK Annotated Reactive Cc1nc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1Br ZINC000587120650 KK Annotated Anodyne CC(C)COc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587120656 KK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120661 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120664 KK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)nn12 ZINC000587120672 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(I)cc4[nH]3)nn12 ZINC000587120675 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cnc5ccccc5c4[nH]3)nn12 ZINC000587120680 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120683 KK Annotated Bother CCCCCOc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587120686 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(-c5nc6ccccc6s5)ccc4[nH]3)n2n1 ZINC000587120688 KK Annotated Anodyne O=C(O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120702 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc5c(c4[nH]3)CCCC5)nn12 ZINC000587120704 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120711 KK Annotated Anodyne Fc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1Br ZINC000587120725 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587120728 KK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587120731 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Cl ZINC000587120734 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120738 KK Annotated Anodyne CSc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120740 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Cl)c(Br)cnc4[nH]3)nn12 ZINC000587120743 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Br)cc(Cl)c4[nH]3)nn12 ZINC000587120744 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cncc(Br)c4[nH]3)nn12 ZINC000587120749 KK Annotated Anodyne O=C(O)c1cc(F)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120750 KK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587120751 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Br ZINC000587120754 KK Annotated Mild Fc1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1-n1cccn1 ZINC000587120786 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)nn12 ZINC000587120795 KK Annotated Mild Fc1cc(Cl)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120800 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120805 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120807 KK Annotated Anodyne O=C(O)c1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120812 KK Annotated Anodyne FC(F)(F)c1nc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2[nH]1 ZINC000587120815 KK Annotated Reactive CC(C)Oc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120819 KK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120839 KK Annotated Bother N#Cc1nc(Cl)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120848 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc21 ZINC000587120851 KK Annotated Clean O=C1COc2cc3[nH]c(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)nc3cc2N1 ZINC000587120856 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120859 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(S)nc(S)nc4[nH]3)nn12 ZINC000587120861 KK Annotated Anodyne FC1(F)Oc2cc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3cc2O1 ZINC000587120862 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120864 KK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120865 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120870 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3cc21 ZINC000587120874 KK Annotated Clean Oc1c(Br)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120877 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)nn12 ZINC000587120884 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587120887 KK Annotated Bother Fc1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1C(F)(F)F ZINC000587120889 KK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Br)c(Br)cc4[nH]3)nn12 ZINC000587120893 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc-2[nH]1 ZINC000587120895 KK Annotated Anodyne Oc1nc2cc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3cc2[nH]1 ZINC000587120906 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120911 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2n1 ZINC000587120914 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1OC ZINC000587120918 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3c2)cc1 ZINC000587120919 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc2c1 ZINC000587120923 KK Annotated Anodyne Fc1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1Br ZINC000587120927 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c21 ZINC000587120929 KK Annotated Clean FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(I)cnc4[nH]3)nn12 ZINC000587120937 KK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587120938 KK Annotated Bother FC(F)(F)c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cn1 ZINC000587120946 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)nn12 ZINC000587120951 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587120952 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120953 KK Annotated Anodyne Fc1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1Cl ZINC000587120954 KK Annotated Anodyne CC(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120957 KK Annotated Anodyne N#Cc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1C#N ZINC000587120958 KK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)nn12 ZINC000587120959 KK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120960 KK Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120963 KK Annotated Bother FC(F)(F)c1ncc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc-2[nH]1 ZINC000587120966 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3c2)cc1N ZINC000587120969 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Br)cnc4[nH]3)nn12 ZINC000587120972 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Cl)cnc(Cl)c4[nH]3)nn12 ZINC000587120977 KK Annotated Anodyne O=C(O)c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1F ZINC000587120978 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nn12 ZINC000587120980 KK Annotated Reactive FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587120981 KK Annotated Mild O=C(O)c1cc(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587120983 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3cc21 ZINC000587120985 KK Annotated Clean O=[N+]([O-])c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1[N+](=O)[O-] ZINC000587120986 KK Annotated Bother CN(C)C(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587120993 KK Annotated Anodyne Cc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587120999 KK Annotated Anodyne CCCCOc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587121000 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1OC ZINC000587121005 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121008 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121012 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3c2)cc1 ZINC000587121016 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121021 KK Annotated Bother Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587121030 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cccc(I)c4[nH]3)nn12 ZINC000587121032 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121034 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Br)ccnc4[nH]3)nn12 ZINC000587121036 KK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587121042 KK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121044 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121045 KK Annotated Mild Fc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c(F)c1F ZINC000587121049 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)cc(Br)c4[nH]3)nn12 ZINC000587121053 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121055 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121056 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Cl ZINC000587121058 KK Annotated Bother FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc1-2 ZINC000587121059 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Br)cnc(Cl)c4[nH]3)nn12 ZINC000587121062 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Br)ccc(Br)c4[nH]3)nn12 ZINC000587121065 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587121070 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3cc21 ZINC000587121072 KK Annotated Anodyne FC(F)(F)c1cnc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121073 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121074 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc5c(cc4[nH]3)OCCCO5)nn12 ZINC000587121076 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121077 KK Annotated Bother CC1=C(c2ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3c2)NNC(=O)C1 ZINC000587121078 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c21 ZINC000587121079 KK Annotated Clean FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)nc(Cl)c4[nH]3)nn12 ZINC000587121082 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121093 KK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121100 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121101 KK Annotated Anodyne COc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1OC ZINC000587121102 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587121106 KK Annotated Anodyne OCCc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121108 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121110 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121111 KK Annotated Mild FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)nn12 ZINC000587121112 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c32)n1 ZINC000587121113 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121116 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4c(=O)cc(C(F)(F)F)c5c(C)nn(C)c54)[nH]c3cc21 ZINC000587121121 KK Annotated Clean Fc1c(Cl)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1F ZINC000587121123 KK Annotated Anodyne Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587121125 KK Annotated Reactive Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587121126 KK Annotated Mild Cc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Cl ZINC000587121130 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc5ncccc5c4[nH]3)nn12 ZINC000587121132 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587121135 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Cl)c(Cl)cnc4[nH]3)nn12 ZINC000587121136 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(I)cnc(Cl)c4[nH]3)nn12 ZINC000587121142 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4nc(Br)c[nH]c-4n3)nn12 ZINC000587121148 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121152 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121153 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)nn12 ZINC000587121155 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121157 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587121161 KK Annotated Anodyne CCCCCOc1cc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2cc1Br ZINC000587121163 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121165 KK Annotated Anodyne COc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1C ZINC000587121172 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121174 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c5ccccc5c5ccccc5c4[nH]3)nn12 ZINC000587121177 KK Annotated Bother FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)nn12 ZINC000587121183 KK Annotated Bother COC(=O)c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c(F)c1Nc1ccccc1 ZINC000587121186 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121187 KK Annotated Anodyne O=C1CCc2cc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3cc2N1 ZINC000587121188 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1F ZINC000587121189 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)c(Cl)nc4[nH]3)nn12 ZINC000587121191 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cccc(Br)c4[nH]3)nn12 ZINC000587121198 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc5c(cc4[nH]3)OCO5)nn12 ZINC000587121200 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc5c(cc4[nH]3)OCCO5)nn12 ZINC000587121201 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5nn6c(C(F)(F)F)cc(-c7ccccc7)nc6c5Br)[nH]c4c3)o2)cc1 ZINC000587121206 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc12 ZINC000587121207 KK Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121209 KK Annotated Bother CCOC(=O)c1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121210 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Br ZINC000587121211 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3cc21 ZINC000587121212 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)nn12 ZINC000587121213 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5nn6c(C(F)(F)F)cc(-c7ccccc7)nc6c5Br)[nH]c4c3)cc2)CC1 ZINC000587121215 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(Br)cc4[nH]3)nn12 ZINC000587121217 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1Cl ZINC000587121219 KK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121221 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2c1 ZINC000587121223 KK Annotated Anodyne Cc1cc2[nH]c(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)nc2cc1[N+](=O)[O-] ZINC000587121224 KK Annotated Bother FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(Br)nc4[nH]3)nn12 ZINC000587121230 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccnc(Br)c4[nH]3)nn12 ZINC000587121234 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c12 ZINC000587121237 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4nn5c(C(F)(F)F)cc(-c6ccccc6)nc5c4Br)[nH]c3c2)cc1 ZINC000587121239 KK Annotated Clean O=[N+]([O-])c1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1F ZINC000587121241 KK Annotated Bother FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc5ccccc5cc4[nH]3)nn12 ZINC000587121242 KK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1 ZINC000587121245 KK Annotated Anodyne COc1cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2cc1F ZINC000587121246 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nn12 ZINC000587121247 KK Annotated Reactive FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c(Br)cnc(Br)c4[nH]3)nn12 ZINC000587121250 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(Br)ncc4[nH]3)nn12 ZINC000587121252 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3nn4c(C(F)(F)F)cc(-c5ccccc5)nc4c3Br)[nH]c2c1C ZINC000587121258 KK Annotated Anodyne FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)nn12 ZINC000587121259 KK Annotated Bother FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)nn12 ZINC000587121262 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc(-c5ccc(OC(F)(F)F)cc5)nc4C)[nH]c3cc21 ZINC000587121373 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587121384 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc(-c5ccc(OC(F)(F)F)cc5)nc4C)[nH]c3c2)cc1 ZINC000587121391 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587121401 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587121405 KK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(I)cc2[nH]1 ZINC000587121408 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587121427 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587121429 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587121455 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587121456 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121472 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc5ncccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121473 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587121474 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587121475 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587121476 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121477 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121478 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121479 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121480 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121481 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121482 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121484 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121485 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121487 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121488 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cncc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121489 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cncc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121490 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587121492 KK Annotated Anodyne Nc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1N ZINC000587121496 KK Annotated Anodyne Nc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1N ZINC000587121497 KK Annotated Anodyne Fc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c(F)c1F ZINC000587121498 KK Annotated Anodyne Fc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c(F)c1F ZINC000587121499 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121500 KK Annotated Bother FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121501 KK Annotated Bother O=C(O)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121504 KK Annotated Anodyne O=C(O)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121505 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121506 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121507 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121509 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121510 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121511 KK Annotated Mild N#Cc1nc(Cl)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121512 KK Annotated Mild Cc1cnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121513 KK Annotated Anodyne Cc1cnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121514 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121519 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121520 KK Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121522 KK Annotated Anodyne Cc1ccnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121523 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121524 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121525 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587121527 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587121528 KK Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121532 KK Annotated Anodyne Nc1ncnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121533 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1OC ZINC000587121534 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1OC ZINC000587121535 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121537 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121540 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121541 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587121543 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121544 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121545 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121546 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587121548 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587121549 KK Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121550 KK Annotated Anodyne Nc1ccnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121551 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 ZINC000587121555 KK Annotated Anodyne Cc1nc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1Br ZINC000587121556 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587121557 KK Annotated Anodyne Cc1nc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1Br ZINC000587121558 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 ZINC000587121559 KK Annotated Anodyne N=c1[nH]cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc-2[nH]1 ZINC000587121561 KK Annotated Anodyne N=c1[nH]cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc-2[nH]1 ZINC000587121562 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121563 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587121564 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121565 KK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587121568 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121577 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Br)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121578 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Cl)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121580 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Cl)ncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121583 KK Annotated Anodyne Cc1cncc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121585 KK Annotated Anodyne Cc1cncc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121587 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121589 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121591 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1Br ZINC000587121594 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 ZINC000587121602 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587121609 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c1 ZINC000587121616 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587121622 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587121625 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587121644 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(-c6ccc(OC(F)(F)F)cc6)nc5C)[nH]c4c3)o2)cc1 ZINC000587121645 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(I)cnc2[nH]1 ZINC000587121663 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6cc(OC(F)(F)F)ccc6nc5C)[nH]c4c3)o2)cc1 ZINC000587121668 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587121670 KK Annotated Anodyne Nc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587121674 KK Annotated Anodyne Nc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587121675 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121676 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587121677 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cncc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121678 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cncc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121679 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121681 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121682 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121684 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121685 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121686 KK Annotated Mild Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121687 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121688 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121689 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121690 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121691 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587121693 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587121694 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cc(Br)ccc3n2)cc1 ZINC000587121696 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)c3cc(Br)ccc3n2)cc1 ZINC000587121697 KK Annotated Anodyne O=C1CCc2cc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc2N1 ZINC000587121698 KK Annotated Anodyne O=C1CCc2cc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc2N1 ZINC000587121699 KK Annotated Anodyne Oc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121700 KK Annotated Anodyne Oc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121701 KK Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121702 KK Annotated Anodyne O=S(=O)(O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121703 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121705 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121706 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121708 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587121709 KK Annotated Anodyne NC(=O)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121710 KK Annotated Anodyne NC(=O)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121711 KK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121712 KK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121713 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121714 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121715 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121716 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121717 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587121718 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121719 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Br)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121720 KK Annotated Anodyne N#Cc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C#N ZINC000587121721 KK Annotated Mild N#Cc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C#N ZINC000587121722 KK Annotated Mild Cc1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c(C)n1 ZINC000587121723 KK Annotated Anodyne Cc1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c(C)n1 ZINC000587121724 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cnc(Cl)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121728 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cnc(Cl)[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121729 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(I)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121733 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(I)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121734 KK Annotated Anodyne CCc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121735 KK Annotated Anodyne CCc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121736 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121743 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121744 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121745 KK Annotated Anodyne Fc1cnc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587121746 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1OC ZINC000587121747 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1OC ZINC000587121748 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587121750 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121756 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121762 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587121763 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121767 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121774 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121776 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121777 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4nc(Cl)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121780 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4nc(Cl)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587121781 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121782 KK Annotated Mild Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587121786 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121787 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587121789 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587121790 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587121792 KK Annotated Bother CCCCCOc1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2cc1Br ZINC000587121794 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5cc(OC(F)(F)F)ccc5nc4C)[nH]c3c2)cc1 ZINC000587121797 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(-c5ccc(OC(F)(F)F)cc5)nc4C)[nH]c3cc21 ZINC000587121800 KK Annotated Clean Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587121806 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587121809 KK Annotated Clean Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587121812 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587121846 KK Annotated Reactive Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587121850 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5cc(OC(F)(F)F)ccc5nc4C)[nH]c3cc21 ZINC000587121866 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587121894 KK Annotated Bother Oc1c(Br)ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121896 KK Annotated Anodyne Oc1c(Br)ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587121898 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587121899 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587121901 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121902 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121903 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121905 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121907 KK Annotated Anodyne Cc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121908 KK Annotated Anodyne Cc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587121909 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c21 ZINC000587121917 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c21 ZINC000587121922 KK Annotated Clean COC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1OC ZINC000587121924 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1OC ZINC000587121925 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121931 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121936 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121937 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121942 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121944 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121945 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1Br ZINC000587121946 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1Br ZINC000587121947 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587121949 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)NNC(=O)C1 ZINC000587121950 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)NNC(=O)C1 ZINC000587121951 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587121960 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587121961 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121969 KK Annotated Bother FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587121971 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587121973 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587121974 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587121978 KK Annotated Anodyne COC(=O)c1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587121991 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587121993 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3cc21 ZINC000587122000 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587122003 KK Annotated Anodyne Cc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1C ZINC000587122006 KK Annotated Anodyne Cc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1C ZINC000587122011 KK Annotated Anodyne Oc1nc2cc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc2[nH]1 ZINC000587122014 KK Annotated Anodyne Oc1nc2cc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc2[nH]1 ZINC000587122015 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122020 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122021 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122022 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122023 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122025 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122026 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122028 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122031 KK Annotated Anodyne COc1cncc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122033 KK Annotated Anodyne COc1cncc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122034 KK Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122036 KK Annotated Anodyne CC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122040 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c21 ZINC000587122043 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c21 ZINC000587122048 KK Annotated Clean Fc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122050 KK Annotated Anodyne Fc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122051 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587122052 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587122053 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122057 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122060 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587122062 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C ZINC000587122063 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C ZINC000587122064 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1[N+](=O)[O-] ZINC000587122066 KK Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1[N+](=O)[O-] ZINC000587122070 KK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587122073 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1)C(F)(F)F ZINC000587122075 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1)C(F)(F)F ZINC000587122081 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSCc3cccc(OC(F)(F)F)c3)nc1-2 ZINC000587122082 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122088 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122090 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc(/C=C/c6ccc(OC(F)(F)F)cc6)nc6ccc(Br)cc56)[nH]c4c3)cc2)CC1 ZINC000587122091 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cc(/C=C\c6ccc(OC(F)(F)F)cc6)nc6ccc(Br)cc56)[nH]c4c3)cc2)CC1 ZINC000587122098 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1-n1cccn1 ZINC000587122100 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1-n1cccn1 ZINC000587122103 KK Annotated Anodyne OCc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122105 KK Annotated Anodyne OCc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122108 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122109 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122110 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c21 ZINC000587122113 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Br ZINC000587122118 KK Annotated Mild Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587122256 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587122372 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122373 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122374 KK Annotated Anodyne N#Cc1nc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2nc1C#N ZINC000587122375 KK Annotated Mild N#Cc1nc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2nc1C#N ZINC000587122376 KK Annotated Mild O=[N+]([O-])c1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Cl ZINC000587122377 KK Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Cl ZINC000587122378 KK Annotated Bother FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122382 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122383 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Br ZINC000587122384 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Cl ZINC000587122386 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Cl ZINC000587122387 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122388 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122389 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122390 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Br)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122391 KK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1F ZINC000587122393 KK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1F ZINC000587122394 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122396 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cncnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122397 KK Annotated Anodyne Cc1c(F)ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122401 KK Annotated Anodyne Cc1c(F)ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122402 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122403 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122404 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)nc2c1 ZINC000587122405 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122407 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122408 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Br ZINC000587122409 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122410 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122411 KK Annotated Mild COC(=O)c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122412 KK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587122413 KK Annotated Anodyne Fc1cnc(Cl)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587122414 KK Annotated Anodyne COc1nccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122415 KK Annotated Anodyne COc1nccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122416 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122418 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122419 KK Annotated Mild N=c1[nH]c2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc-2c(Cl)[nH]1 ZINC000587122421 KK Annotated Anodyne N=c1[nH]c2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc-2c(Cl)[nH]1 ZINC000587122422 KK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122423 KK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122424 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587122428 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587122430 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587122431 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122432 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122433 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587122436 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122437 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122439 KK Annotated Anodyne CCCCOc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Br ZINC000587122441 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587122447 KK Annotated Anodyne Cc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587122449 KK Annotated Anodyne N#Cc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C(F)(F)F ZINC000587122453 KK Annotated Mild N#Cc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C(F)(F)F ZINC000587122454 KK Annotated Mild Cc1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122462 KK Annotated Anodyne Cc1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122464 KK Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587122465 KK Annotated Anodyne Oc1ncnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587122467 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c3cc(Br)ccc3n2)cc1 ZINC000587122470 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c3cc(Br)ccc3n2)cc1 ZINC000587122474 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587122475 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587122478 KK Annotated Anodyne O=[N+]([O-])c1cncc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122486 KK Annotated Bother O=[N+]([O-])c1cncc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122489 KK Annotated Bother FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122491 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122495 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122498 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122500 KK Annotated Anodyne N#Cc1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122503 KK Annotated Mild N#Cc1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587122504 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122505 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122506 KK Annotated Anodyne Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587122566 KK Annotated Anodyne O=C(O)c1cc2nc(-c3cccc(OCC(F)F)n3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587122610 KK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587122631 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cccc(I)c2[nH]1 ZINC000587122680 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5cc(OC(F)(F)F)ccc5nc4C)[nH]c3cc21 ZINC000587122693 KK Annotated Clean FC(F)(F)Oc1ccc2c(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)n[nH]c2c1 ZINC000587122771 KK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2N1 ZINC000587122775 KK Annotated Bother C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2N1 ZINC000587122777 KK Annotated Bother C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2N1 ZINC000587122778 KK Annotated Bother C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2N1 ZINC000587122779 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c21 ZINC000587122818 KK Annotated Clean Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587122836 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3cc21 ZINC000587122847 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](C)N5)[nH]c3cc21 ZINC000587122852 KK Annotated Clean COC(=O)c1cc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587122853 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3cc21 ZINC000587122855 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@H](C)N5)[nH]c3cc21 ZINC000587122858 KK Annotated Clean Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587122859 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122886 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Cl)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122887 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccc(I)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122888 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccc(I)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122889 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122894 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122895 KK Annotated Anodyne CCCOc1cc2nc(-c3sc(-c4ccc(OC(F)(F)F)cc4)nc3C)[nH]c2cc1Br ZINC000587122898 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Br ZINC000587122903 KK Annotated Anodyne CN1CCN(c2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)CC1 ZINC000587122909 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C/c5ccc(SC(F)(F)F)cc5)[nH]c4c3)cc2)CC1 ZINC000587122919 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C=C\c5ccc(SC(F)(F)F)cc5)[nH]c4c3)cc2)CC1 ZINC000587122920 KK Annotated Anodyne CN1CCN(c2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)CC1 ZINC000587122925 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122926 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122927 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122930 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122932 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122934 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122937 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122939 KK Annotated Mild N#Cc1cc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122940 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122944 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122945 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122950 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587122951 KK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122952 KK Annotated Anodyne CC(C)Oc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122953 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122954 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122955 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Cl ZINC000587122956 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Cl ZINC000587122957 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122965 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587122966 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(I)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122968 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(I)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122970 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122973 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587122996 KK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587123000 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1C(F)(F)F ZINC000587123003 KK Annotated Mild Fc1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1C(F)(F)F ZINC000587123004 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccc(OCC(F)F)n4)nc3cc21 ZINC000587123005 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587123006 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1Br ZINC000587123012 KK Annotated Anodyne Oc1nccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123041 KK Annotated Anodyne Oc1nccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123043 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123046 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123047 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc21 ZINC000587123048 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc21 ZINC000587123050 KK Annotated Clean CC(C)CCOc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587123071 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123075 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123078 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123090 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123102 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123103 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5ccccc5cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123108 KK Annotated Anodyne Oc1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123122 KK Annotated Anodyne Oc1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123127 KK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123146 KK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123152 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123157 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123161 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123166 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123176 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587123182 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587123186 KK Annotated Anodyne Oc1nncc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123194 KK Annotated Anodyne Oc1nncc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123198 KK Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123204 KK Annotated Anodyne Oc1nc(S)nc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123208 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587123250 KK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587123254 KK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587123260 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587123391 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587123392 KK Annotated Anodyne CCCCCOc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587123410 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccc(OCC(F)F)n3)nc21 ZINC000587123505 KK Annotated Clean FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587123587 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc5c(cc4[nH]3)OCCO5)c3cc(Br)ccc3n2)cc1 ZINC000587123588 KK Annotated Anodyne Cc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587123589 KK Annotated Anodyne Cc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587123590 KK Annotated Anodyne Nc1nc(O)c2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587123592 KK Annotated Anodyne Nc1nc(O)c2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587123593 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc21 ZINC000587123603 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3cc21 ZINC000587123618 KK Annotated Anodyne Cc1nccc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123621 KK Annotated Anodyne Cc1nccc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123623 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123627 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123640 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123642 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123646 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587123648 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587123655 KK Annotated Anodyne Nc1nccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123693 KK Annotated Anodyne Nc1nccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123695 KK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587123696 KK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587123702 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123703 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Br)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123705 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123708 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(S)nc(S)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123713 KK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587123715 KK Annotated Anodyne OCCc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587123717 KK Annotated Anodyne OCCc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587123718 KK Annotated Anodyne Fc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587123719 KK Annotated Anodyne Fc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587123721 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C ZINC000587123735 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3cc21 ZINC000587123744 KK Annotated Clean COc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1C ZINC000587123745 KK Annotated Anodyne Fc1cnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587123749 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3cc21 ZINC000587123751 KK Annotated Clean Fc1cnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587123753 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123768 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587123785 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1C ZINC000587123788 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1C ZINC000587123791 KK Annotated Anodyne O=C(c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587123793 KK Annotated Anodyne O=C(c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587123795 KK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587123797 KK Annotated Anodyne O=S(=O)(c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1)N1CCOCC1 ZINC000587123799 KK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587123803 KK Annotated Reactive C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587123804 KK Annotated Reactive O=S(=O)(c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1)N1CCOCC1 ZINC000587123805 KK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587123806 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cc(Br)ccc3n2)cc1 ZINC000587123807 KK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 ZINC000587123808 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc5c(c4[nH]3)CCCC5)c3cc(Br)ccc3n2)cc1 ZINC000587123810 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123818 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123824 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(/C=C\c6ccc(OC(F)(F)F)cc6)nc6ccc(Br)cc56)[nH]c4c3)o2)cc1 ZINC000587123826 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(/C=C/c6ccc(OC(F)(F)F)cc6)nc6ccc(Br)cc56)[nH]c4c3)o2)cc1 ZINC000587123827 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123830 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123833 KK Annotated Anodyne O=[N+]([O-])c1cnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587123841 KK Annotated Bother O=[N+]([O-])c1cnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587123842 KK Annotated Bother Fc1cc(Cl)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123846 KK Annotated Anodyne Fc1cc(Cl)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123848 KK Annotated Anodyne C=CCc1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123850 KK Annotated Mild C=CCc1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123851 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123852 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123853 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587123856 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587123857 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123858 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123859 KK Annotated Mild CSc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587123860 KK Annotated Anodyne CSc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587123861 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cnccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123862 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cnccc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587123863 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587123868 KK Annotated Clean Nc1ccc(Oc2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1 ZINC000587123869 KK Annotated Clean CC(C)(C)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123872 KK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587123873 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)[C@@H](C)F)[nH]c3cc21 ZINC000587123903 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)[C@@H](C)F)[nH]c3cc21 ZINC000587123904 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)[C@H](C)F)[nH]c3cc21 ZINC000587123905 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)[C@H](C)F)[nH]c3cc21 ZINC000587123906 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c21 ZINC000587124006 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c21 ZINC000587124008 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c21 ZINC000587124009 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c21 ZINC000587124010 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587124049 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587124052 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124062 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1Br ZINC000587124065 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COC(F)(F)F)[nH]c3cc21 ZINC000587124221 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Br ZINC000587124244 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124246 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c21 ZINC000587124316 KK Annotated Clean Fc1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124318 KK Annotated Anodyne Fc1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124319 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3c2)cc1 ZINC000587124320 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587124324 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587124327 KK Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587124329 KK Annotated Anodyne Fc1cc(F)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587124330 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1Cl ZINC000587124331 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1Cl ZINC000587124332 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1N ZINC000587124357 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c3c2)cc1N ZINC000587124363 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124366 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124369 KK Annotated Reactive CC(C)(C)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124371 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124374 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124378 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124379 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124383 KK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124385 KK Annotated Bother FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124388 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124393 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccc(OCC(F)F)n4)nc3cc21 ZINC000587124394 KK Annotated Clean N#Cc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124396 KK Annotated Mild N#Cc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124399 KK Annotated Mild FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124402 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124405 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124408 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Cl)nc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124411 KK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587124417 KK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1 ZINC000587124420 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c32)n1 ZINC000587124426 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)[nH]c32)n1 ZINC000587124428 KK Annotated Anodyne COc1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124430 KK Annotated Anodyne COc1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124431 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124433 KK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587124434 KK Annotated Bother O=C1COc2cc3[nH]c(-c4cc(/C=C\c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)nc3cc2N1 ZINC000587124435 KK Annotated Anodyne O=C1COc2cc3[nH]c(-c4cc(/C=C/c5ccc(OC(F)(F)F)cc5)nc5ccc(Br)cc45)nc3cc2N1 ZINC000587124436 KK Annotated Anodyne FC(F)(F)Oc1cccc(CSCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587124438 KK Annotated Anodyne Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587124441 KK Annotated Anodyne COc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124442 KK Annotated Anodyne COc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124443 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587124444 KK Annotated Anodyne COc1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cn1 ZINC000587124445 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124449 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124450 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124451 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124454 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587124457 KK Annotated Bother Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587124460 KK Annotated Anodyne Fc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1Br ZINC000587124464 KK Annotated Anodyne Fc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1Br ZINC000587124465 KK Annotated Anodyne NNC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124467 KK Annotated Reactive NNC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124468 KK Annotated Reactive FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Cl)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124470 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Cl)ncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124471 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 ZINC000587124474 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc-2[nH]1 ZINC000587124476 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc-2[nH]1 ZINC000587124477 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cnncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124479 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cnncc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124480 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Cl)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124481 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Cl)ccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124482 KK Annotated Anodyne COc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587124483 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C\c3ccc(SC(F)(F)F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587124670 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3ccc(SC(F)(F)F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587124672 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc21 ZINC000587124767 KK Annotated Clean Cc1cc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124893 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)[C@H](C)F)[nH]c21 ZINC000587124900 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)[C@@H](C)F)[nH]c21 ZINC000587124903 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)[C@@H](C)F)[nH]c21 ZINC000587124904 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)[C@H](C)F)[nH]c21 ZINC000587124906 KK Annotated Clean Cc1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587124937 KK Annotated Anodyne COc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587124974 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587124975 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc12 ZINC000587124976 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124977 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124978 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124980 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124981 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ncc[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587124982 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ncc[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587124983 KK Annotated Anodyne Fc1c(F)c(F)c2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1F ZINC000587124986 KK Annotated Mild Fc1c(F)c(F)c2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2c1F ZINC000587124987 KK Annotated Mild Fc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1F ZINC000587124988 KK Annotated Anodyne Fc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1F ZINC000587124989 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1F ZINC000587124990 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1F ZINC000587124991 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124993 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccnc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587124994 KK Annotated Anodyne Oc1nc(O)c2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587124995 KK Annotated Anodyne Oc1nc(O)c2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2n1 ZINC000587124996 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3cc21 ZINC000587124998 KK Annotated Clean CCOC(=O)Cc1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587124999 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587125000 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125001 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125002 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125003 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125004 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 ZINC000587125006 KK Annotated Mild O=[N+]([O-])c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587125009 KK Annotated Bother O=[N+]([O-])c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587125010 KK Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587125012 KK Annotated Bother O=[N+]([O-])c1cc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2cc1F ZINC000587125013 KK Annotated Bother FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125016 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125017 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125018 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125019 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc1-2 ZINC000587125020 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc1-2 ZINC000587125021 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587125023 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587125024 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125026 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125027 KK Annotated Anodyne O=[N+]([O-])c1cccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587125028 KK Annotated Bother O=[N+]([O-])c1cccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c12 ZINC000587125029 KK Annotated Bother O=C(O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587125030 KK Annotated Anodyne O=C(O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 ZINC000587125031 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125033 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c3cc(Br)ccc3n2)cc1 ZINC000587125034 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587125035 KK Annotated Anodyne FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4nc(Br)c[nH]c-4n3)c3cc(Br)ccc3n2)cc1 ZINC000587125036 KK Annotated Anodyne Cc1cc2[nH]c(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1[N+](=O)[O-] ZINC000587125037 KK Annotated Bother Cc1cc2[nH]c(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)nc2cc1[N+](=O)[O-] ZINC000587125038 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1 ZINC000587125110 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1 ZINC000587125112 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125232 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COC(F)(F)F)[nH]c21 ZINC000587125276 KK Annotated Clean COC(=O)c1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c(F)c1Nc1ccccc1 ZINC000587125329 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125339 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587125376 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587125381 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccc(SC(F)(F)F)cc3)nc1-2 ZINC000587125401 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccc(SC(F)(F)F)cc3)nc1-2 ZINC000587125403 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125468 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587125611 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587125612 KK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2N1 ZINC000587125681 KK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2N1 ZINC000587125684 KK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2N1 ZINC000587125688 KK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2N1 ZINC000587125690 KK Annotated Anodyne Cc1cc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587125817 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(NS(=O)(=O)C(F)(F)F)c(C)c4)nc3cc21 ZINC000587125835 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c21 ZINC000587125926 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c21 ZINC000587125927 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c2c1 ZINC000587126052 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COC(F)(F)F)[nH]c3cc21 ZINC000587126115 KK Annotated Clean C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc2N1 ZINC000587126116 KK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc2N1 ZINC000587126117 KK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc2N1 ZINC000587126118 KK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc2N1 ZINC000587126119 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3cc21 ZINC000587126210 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3cc21 ZINC000587126211 KK Annotated Anodyne FC(F)(F)Sc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587126214 KK Annotated Reactive FC(F)(F)Sc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587126215 KK Annotated Reactive O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587126259 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 ZINC000587126260 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1Br ZINC000587126278 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587126295 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 ZINC000587126297 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C3(O)CCC(C(F)(F)F)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587126410 KK Annotated Bother C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2N1 ZINC000587126436 KK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2N1 ZINC000587126440 KK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2N1 ZINC000587126442 KK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2N1 ZINC000587126444 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cc1Br ZINC000587126480 KK Annotated Mild Cc1cc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126532 KK Annotated Bother Cc1cc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126561 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2cc1Br ZINC000587126577 KK Annotated Mild Cc1cc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587126610 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(NS(=O)(=O)C(F)(F)F)c(C)c4)nc3cc21 ZINC000587126613 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3cc21 ZINC000587126651 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](C)N5)[nH]c3cc21 ZINC000587126658 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@H](C)N5)[nH]c3cc21 ZINC000587126663 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5n(n4)[C@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3cc21 ZINC000587126668 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(O)CCC(C(F)(F)F)CC3)[nH]c21 ZINC000587126862 KK Annotated Clean O=S(=O)(c1ncccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1)C(F)(F)F ZINC000587126874 KK Annotated Reactive O=S(=O)(c1ncccc1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1)C(F)(F)F ZINC000587126886 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccnc4S(=O)(=O)C(F)(F)F)nc3cc21 ZINC000587126917 KK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2N1 ZINC000587126933 KK Annotated Anodyne C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2N1 ZINC000587126935 KK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2N1 ZINC000587126936 KK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2N1 ZINC000587126937 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3cc21 ZINC000587126938 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc21 ZINC000587126953 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 ZINC000587127031 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127104 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127106 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Br ZINC000587127107 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Br ZINC000587127109 KK Annotated Mild FC(F)(F)Oc1ccc2c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)n[nH]c2c1 ZINC000587127161 KK Annotated Reactive O=C(O)c1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587127180 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3cc21 ZINC000587127351 KK Annotated Clean O=C(O)c1cc2nc(-c3cccnc3S(=O)(=O)C(F)(F)F)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587127381 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccnc4S(=O)(=O)C(F)(F)F)nc3cc21 ZINC000587127388 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3cc21 ZINC000587127409 KK Annotated Clean Cc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F ZINC000587127427 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc21 ZINC000587127545 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3cc21 ZINC000587127562 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)cc5[nH]4)nc3n2)cn1 ZINC000587127804 KK Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587127919 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sc(-c5ccccc5)nc4C(F)F)[nH]c3cc21 ZINC000587127927 KK Annotated Anodyne CCCOc1cc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2cc1Br ZINC000587127940 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587127952 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587127957 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c1 ZINC000587127958 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)cc1 ZINC000587127984 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)cc1 ZINC000587127985 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 ZINC000587128149 KK Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587128162 KK Annotated Reactive CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(=O)(=O)Nc6cccc(C(F)(F)F)c6)cc5[nH]4)nc3n2)cn1 ZINC000587128196 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nnn(C)c3C(F)F)[nH]c21 ZINC000587128252 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 ZINC000587128286 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c21 ZINC000587128300 KK Annotated Clean C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128304 KK Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128307 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587128315 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4nc5nc(-c6cnn(CC)c6)cc(C(F)F)n5n4)[nH]c3cc21 ZINC000587128318 KK Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587128320 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587128329 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587128330 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(SC(F)(F)F)cc5[nH]4)nc3n2)cn1 ZINC000587128362 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Cl)cc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128374 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128385 KK Annotated Reactive CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Br)ccc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128389 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cc(C(=O)O)c5[nH]4)c3n2)cnn1C ZINC000587128438 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c6cccnc6c6ncccc6c5[nH]4)c3n2)cnn1C ZINC000587128440 KK Annotated Bother FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587128449 KK Annotated Reactive CCCCCOc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Br ZINC000587128453 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)nc3n2)cn1 ZINC000587128463 KK Annotated Anodyne C[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128473 KK Annotated Mild C[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128475 KK Annotated Mild CCCCCCCCOc1cc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2cc1Br ZINC000587128477 KK Annotated Mild C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128499 KK Annotated Mild C[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128502 KK Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587128510 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc12 ZINC000587128512 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587128524 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587128529 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587128536 KK Annotated Mild CCCCOc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Br ZINC000587128540 KK Annotated Anodyne CCCOc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Br ZINC000587128550 KK Annotated Anodyne Cc1cc(Br)cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587128574 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)nc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587128579 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cc([N+](=O)[O-])c5[nH]4)c3n2)cnn1C ZINC000587128585 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4nc(C5CC5)c5c(C(F)F)cc(-c6cnn(C)c6C)nc54)[nH]c3c2)cc1 ZINC000587128598 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(=O)(=O)Nc6ccc(Cl)cc6)cc5[nH]4)c3n2)cnn1C ZINC000587128603 KK Annotated Anodyne C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128606 KK Annotated Reactive C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128608 KK Annotated Reactive Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(Br)c5[nH]4)c3n2)cnn1C ZINC000587128612 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Br)cnc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587128613 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587128621 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587128626 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cnc5[nH]4)c3n2)cnn1C ZINC000587128638 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Br)c(O)c5[nH]4)c3n2)cnn1C ZINC000587128658 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)c3n2)cnn1C ZINC000587128662 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c21 ZINC000587128728 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(-c6ccccc6)nc5C(F)F)[nH]c4c3)o2)cc1 ZINC000587128736 KK Annotated Anodyne FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587128739 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(-c5ccccc5)nc4C(F)F)[nH]c3cc21 ZINC000587128769 KK Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587128782 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(F)cnc(Br)c5[nH]4)c3n2)cnn1C ZINC000587128800 KK Annotated Anodyne CCCCCOc1cc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2cc1Br ZINC000587128810 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC(F)(F)F)c(Cl)cc5[nH]4)nc3n2)cn1 ZINC000587128811 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587128836 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587128839 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Oc6ccc(N)cc6)cc5[nH]4)c3n2)cnn1C ZINC000587128842 KK Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(=O)Nc6ccc(F)c(C(F)(F)F)c6)c5[nH]4)nc3n2)cn1 ZINC000587128845 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cncc(Br)c5[nH]4)c3n2)cnn1C ZINC000587128870 KK Annotated Anodyne C[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128872 KK Annotated Anodyne C[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128874 KK Annotated Anodyne CCCCOc1cc2nc(CCc3nc4nc(-c5cnn(CC)c5)cc(C(F)F)n4n3)[nH]c2cc1Br ZINC000587128878 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587128884 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OCCC(C)C)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587128889 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587128897 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128903 KK Annotated Mild C[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128904 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587128905 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C#N)c(C(F)(F)F)cc5[nH]4)c3n2)cnn1C ZINC000587128909 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3cc21 ZINC000587128911 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(=O)OC)c(Nc6ccccc6)c(F)c5[nH]4)nc3n2)cn1 ZINC000587128913 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc4ncnn4c3C(F)F)[nH]c21 ZINC000587128927 KK Annotated Clean Cc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Br ZINC000587128928 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(=O)(=O)Nc6c(C)n(C)n(-c7ccccc7)c6=O)cc5[nH]4)c3n2)cnn1C ZINC000587128935 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587128942 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)ncc5[nH]4)c3n2)cnn1C ZINC000587128946 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC(C)C)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587128953 KK Annotated Anodyne C[C@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128961 KK Annotated Anodyne C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587128962 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6nc7ccccc7nc6cc5[nH]4)c3n2)cnn1C ZINC000587128963 KK Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cc(F)c5[nH]4)c3n2)cnn1C ZINC000587128964 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Br)cc5[nH]4)c3n2)cnn1C ZINC000587128974 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)C(F)(F)F)ncc5[nH]4)c3n2)cnn1C ZINC000587128977 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Br)nc5[nH]4)c3n2)cnn1C ZINC000587128978 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)cc5[nH]4)c3n2)cnn1C ZINC000587128979 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3cc21 ZINC000587128988 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3cc21 ZINC000587128990 KK Annotated Anodyne Cc1c(Br)cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1C ZINC000587128991 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(OC(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587129007 KK Annotated Anodyne CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 ZINC000587129053 KK Annotated Reactive Cn1nc(-c2nc3c(Br)cc(Cl)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129061 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)ccc1OC(F)F ZINC000587129066 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)ccc1OC(F)F ZINC000587129070 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1OC(F)F ZINC000587129073 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1OC(F)F ZINC000587129075 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Sc6ccccc6)cc5[nH]4)nc3n2)cn1 ZINC000587129076 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1OC(F)F ZINC000587129113 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)ccc1OC(F)F ZINC000587129116 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4c(=O)cc(C(F)(F)F)c5c(C)nn(C)c54)[nH]c3cc21 ZINC000587129140 KK Annotated Anodyne Cn1nc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129173 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cc1Br ZINC000587129226 KK Annotated Mild CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)nc3n2)cn1 ZINC000587129251 KK Annotated Reactive CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OCC(C)C)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587129260 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nnn(C)c4C(F)F)[nH]c3cc21 ZINC000587129280 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c21 ZINC000587129286 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c21 ZINC000587129290 KK Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)nc3n2)cn1 ZINC000587129293 KK Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129316 KK Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129318 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Br)c(F)c5[nH]4)c3n2)cnn1C ZINC000587129325 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Cl)c(Br)cnc5[nH]4)c3n2)cnn1C ZINC000587129328 KK Annotated Anodyne C[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129329 KK Annotated Mild C[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129330 KK Annotated Mild C[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129331 KK Annotated Bother C[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129336 KK Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(I)c5[nH]4)c3n2)cnn1C ZINC000587129343 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(C(=O)Nc6ccc(C(F)(F)F)cc6)c5[nH]4)nc3n2)cn1 ZINC000587129346 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(OCc6ccccc6)c5[nH]4)c3n2)cnn1C ZINC000587129360 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nc(C5CC5)c5c(C(F)F)cc(-c6cnn(C)c6C)nc54)[nH]c3cc21 ZINC000587129369 KK Annotated Clean Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)c(F)c(F)c5[nH]4)c3n2)cnn1C ZINC000587129388 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)c3n2)cnn1C ZINC000587129392 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc5ncnn5c4C(F)F)[nH]c3cc21 ZINC000587129408 KK Annotated Clean Cc1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587129409 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(OCc6ccccc6)cc5[nH]4)c3n2)cnn1C ZINC000587129418 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Br)ccc(Br)c5[nH]4)c3n2)cnn1C ZINC000587129431 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587129435 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Oc6ccccc6)cc5[nH]4)c3n2)cnn1C ZINC000587129436 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C6CC6)c6c(C(F)F)cc(-c7cnn(C)c7C)nc65)[nH]c4c3)o2)cc1 ZINC000587129446 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587129450 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cc(Cl)c5[nH]4)nc3n2)cn1 ZINC000587129452 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587129455 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)nc3n2)cn1 ZINC000587129459 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)nc3n2)cn1 ZINC000587129473 KK Annotated Anodyne Cn1nc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129536 KK Annotated Mild Cn1nc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129574 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587129627 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587129628 KK Annotated Reactive CCOc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F ZINC000587129630 KK Annotated Reactive Cn1nc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129633 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(=O)(=O)Nc6ccc(Cl)cc6)cc5[nH]4)nc3n2)cn1 ZINC000587129647 KK Annotated Anodyne Cn1nc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129658 KK Annotated Anodyne Cn1nc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129745 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587129777 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccc(OC(F)F)c(OCC)c3)[nH]c2cc1Br ZINC000587129779 KK Annotated Mild CCCCCOc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587129783 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1OC(F)F ZINC000587129794 KK Annotated Clean CCOc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1OC(F)F ZINC000587129798 KK Annotated Clean Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=O)Nc6ccc(CN7CCN(C)CC7)cc6)cc5[nH]4)c3n2)cnn1C ZINC000587129818 KK Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587129828 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C#N)cc(Br)c5[nH]4)c3n2)cnn1C ZINC000587129831 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)c3n2)cnn1C ZINC000587129833 KK Annotated Anodyne Cc1nc2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2cc1Br ZINC000587129860 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587129863 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OC(F)(F)F)c(Cl)cc5[nH]4)c3n2)cnn1C ZINC000587129871 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587129874 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(F)c(F)c(F)c(F)c5[nH]4)c3n2)cnn1C ZINC000587129875 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587129879 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nc(C5CC5)c5c(C(F)F)cc(-c6cnn(C)c6C)nc54)[nH]c3cc21 ZINC000587129880 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C5CC5)c5c(C(F)F)cc(-c6cnn(C)c6C)nc54)[nH]c3c2)cc1 ZINC000587129886 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(I)cc5[nH]4)c3n2)cnn1C ZINC000587129893 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(-n6cccn6)c(F)cc5[nH]4)c3n2)cnn1C ZINC000587129926 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc([N+](=O)[O-])c(Cl)cc5[nH]4)c3n2)cnn1C ZINC000587129928 KK Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)c(Cl)nc5[nH]4)c3n2)cnn1C ZINC000587129932 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OC(C)C)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587129933 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccnc(Br)c5[nH]4)c3n2)cnn1C ZINC000587129941 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587129946 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cc1Br ZINC000587129951 KK Annotated Anodyne C[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129956 KK Annotated Anodyne C[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587129957 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5[nH]c(-c6nn(Cc7ccccc7F)c7ncccc67)nc(N)c-5n4)c3n2)cnn1C ZINC000587129958 KK Annotated Anodyne Cn1nc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587129977 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(OCc6ccccc6)cc5[nH]4)nc3n2)cn1 ZINC000587129979 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(-c6nnc(-c7ccc(OC)cc7)o6)cc5[nH]4)nc3n2)cn1 ZINC000587130036 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)ccc1OC(F)F ZINC000587130053 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)ccc1OC(F)F ZINC000587130056 KK Annotated Anodyne CC(C)Oc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587130066 KK Annotated Anodyne Cn1nc(-c2nc3c(Br)ccc(Br)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130075 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc21 ZINC000587130143 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4nn(C)c5nccc(-c6cccc(OC(F)F)c6)c45)nc3c2)cc1 ZINC000587130174 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c1 ZINC000587130180 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587130211 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Br)cnc(Br)c5[nH]4)c3n2)cnn1C ZINC000587130212 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C(=O)Nc6ccc(C(F)(F)F)cc6)c5[nH]4)c3n2)cnn1C ZINC000587130215 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(I)cnc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587130217 KK Annotated Anodyne C[C@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130218 KK Annotated Anodyne C[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130219 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587130222 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cccc(C(=O)Nc6ccc(F)c(C(F)(F)F)c6)c5[nH]4)c3n2)cnn1C ZINC000587130225 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2cc1Br ZINC000587130227 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Br)c([N+](=O)[O-])c5[nH]4)c3n2)cnn1C ZINC000587130239 KK Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)c3n2)cnn1C ZINC000587130240 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)cnc5[nH]4)c3n2)cnn1C ZINC000587130251 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(-c6ccc(N)c(N)c6)cc5[nH]4)c3n2)cnn1C ZINC000587130253 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(F)(F)F)cc5[nH]4)c3n2)cnn1C ZINC000587130255 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6c(cc5[nH]4)OCCCO6)c3n2)cnn1C ZINC000587130259 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)c(Cl)cc5[nH]4)c3n2)cnn1C ZINC000587130273 KK Annotated Anodyne CC(C)CCOc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587130289 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cccc(OCc6ccccc6)c5[nH]4)nc3n2)cn1 ZINC000587130296 KK Annotated Anodyne Cn1nc(-c2nc3c(Br)ncc(Br)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130298 KK Annotated Anodyne Cn1nc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130301 KK Annotated Reactive Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c3n2)cnn1C ZINC000587130315 KK Annotated Reactive C[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130324 KK Annotated Anodyne C[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130329 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c3n2)cnn1C ZINC000587130330 KK Annotated Reactive Cn1nc(-c2nc3c(I)cccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130335 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130346 KK Annotated Anodyne C[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130348 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)ncc5[nH]4)c3n2)cnn1C ZINC000587130349 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Cl)cnc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587130353 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4nn(C)c5nccc(-c6cccc(OC(F)F)c6)c45)nc3cc21 ZINC000587130395 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c6ccccc6c6ccccc6c5[nH]4)nc3n2)cn1 ZINC000587130414 KK Annotated Bother Cn1nc(-c2nc3c(Cl)ncc(I)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130419 KK Annotated Anodyne Cn1nc(-c2nc3ncc(Br)c(Cl)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130429 KK Annotated Anodyne Cn1nc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130430 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6c(cc5[nH]4)C4(OC6=O)c5ccc(OC(C)=O)cc5Oc5cc(OC(C)=O)ccc54)nc3n2)cn1 ZINC000587130452 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1OC(F)F ZINC000587130466 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(OC(F)F)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587130497 KK Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587130511 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)cc(Cl)c5[nH]4)c3n2)cnn1C ZINC000587130512 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=O)Nc6ccc(CCN7CCN(C)CC7)cc6)cc5[nH]4)c3n2)cnn1C ZINC000587130522 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5nc(C(F)F)c(Cl)c5C(F)F)[nH]c4c3)o2)cc1 ZINC000587130527 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5nc(C(F)F)c(Cl)c5C(F)F)[nH]c4c3)o2)cc1 ZINC000587130528 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3cc21 ZINC000587130541 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)n4nc(C(F)F)c(Cl)c4C(F)F)[nH]c3cc21 ZINC000587130542 KK Annotated Clean Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587130543 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OCCC(C)C)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587130544 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OCC(C)C)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587130547 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)c3n2)cnn1C ZINC000587130559 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)cc(C(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587130562 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(=O)(=O)Nc6cccc(C(F)(F)F)c6)cc5[nH]4)c3n2)cnn1C ZINC000587130563 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)c(F)c(F)c5[nH]4)c3n2)cnn1C ZINC000587130568 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)ccc1OC(F)F ZINC000587130579 KK Annotated Anodyne Cn1nc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130593 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(C(F)(F)F)c(F)cc5[nH]4)c3n2)cnn1C ZINC000587130602 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Sc6ccccc6)cc5[nH]4)c3n2)cnn1C ZINC000587130625 KK Annotated Anodyne Cc1c(Br)ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c12 ZINC000587130626 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5[nH]c(Cl)nc(C(F)(F)F)c-5n4)c3n2)cnn1C ZINC000587130634 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(F)c(Br)c5[nH]4)c3n2)cnn1C ZINC000587130645 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1OC(F)F ZINC000587130655 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)ccc1OC(F)F ZINC000587130661 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1OC(F)F ZINC000587130688 KK Annotated Bother CCOc1cc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1OC(F)F ZINC000587130689 KK Annotated Bother Cn1nc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130690 KK Annotated Clean Cn1nc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130697 KK Annotated Reactive Cn1nc(-c2nc3cc(Br)c(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130700 KK Annotated Anodyne CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Oc6ccc(C(=O)OC)cc6)cc5[nH]4)nc3n2)cn1 ZINC000587130715 KK Annotated Anodyne Cn1nc(-c2nc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130720 KK Annotated Anodyne Cn1nc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130723 KK Annotated Mild Cn1nc(-c2nc3cc(I)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130725 KK Annotated Anodyne Cn1nc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130732 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)ccc1OC(F)F ZINC000587130745 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)ccc1OC(F)F ZINC000587130749 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587130755 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Br)c(F)cc5[nH]4)c3n2)cnn1C ZINC000587130826 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(F)cc(Br)c5[nH]4)c3n2)cnn1C ZINC000587130832 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Cl)c(Cl)cnc5[nH]4)c3n2)cnn1C ZINC000587130833 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(OC(F)(F)F)cc5[nH]4)c3n2)cnn1C ZINC000587130836 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc6c(c5[nH]4)C(=O)c4ccccc4C6=O)c3n2)cnn1C ZINC000587130838 KK Annotated Clean Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c(Br)ccnc5[nH]4)c3n2)cnn1C ZINC000587130839 KK Annotated Anodyne CCOC(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c2c1 ZINC000587130857 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(Cl)cc(Br)c5[nH]4)c3n2)cnn1C ZINC000587130860 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)nc2c1 ZINC000587130863 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5c6ccccc6c6ccccc6c5[nH]4)c3n2)cnn1C ZINC000587130865 KK Annotated Bother Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)c3n2)cnn1C ZINC000587130867 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc6c(cc5[nH]4)OC(F)(F)O6)c3n2)cnn1C ZINC000587130872 KK Annotated Anodyne C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130884 KK Annotated Mild C[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F ZINC000587130886 KK Annotated Mild Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)c3n2)cnn1C ZINC000587130895 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(=O)(=O)Nc6ccccc6Cl)cc5[nH]4)c3n2)cnn1C ZINC000587130896 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3[nH]c(-c4nn(C)c5nccc(-c6cccc(OC(F)F)c6)c45)nc3c2)c(=O)n(-c2ccccc2)n1C ZINC000587130906 KK Annotated Anodyne Cn1nc(-c2nc3c(Cl)cc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130921 KK Annotated Anodyne Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(SC(F)(F)F)cc5[nH]4)c3n2)cnn1C ZINC000587130930 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(OC(F)F)cc4)nc3cc21 ZINC000587130956 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nc(C4CC4)c4c(C(F)F)cc(-c5cnn(C)c5C)nc43)[nH]c21 ZINC000587130965 KK Annotated Clean Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(=O)(=O)C(F)(F)F)cc5[nH]4)c3n2)cnn1C ZINC000587130972 KK Annotated Anodyne CC(C)COc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587130977 KK Annotated Anodyne Cn1nc(-c2nc3c(Cl)ncc(Br)c3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130985 KK Annotated Anodyne Cn1nc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587130986 KK Annotated Anodyne Cn1nc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131000 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4nn(C)c5nccc(-c6cccc(OC(F)F)c6)c45)nc3cc21 ZINC000587131003 KK Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(=O)(=O)Nc6ccccc6Cl)cc5[nH]4)nc3n2)cn1 ZINC000587131015 KK Annotated Anodyne Cn1nc(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131022 KK Annotated Bother CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(Oc6ccccc6)cc5[nH]4)nc3n2)cn1 ZINC000587131024 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(OC(F)F)cc3)nc21 ZINC000587131073 KK Annotated Clean CCCCCCCCOc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br ZINC000587131090 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5nn(C)c6nccc(-c7cccc(OC(F)F)c7)c56)nc4c3)o2)cc1 ZINC000587131095 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(OC(F)F)cc4)nc3cc21 ZINC000587131111 KK Annotated Clean CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC(F)(F)C1 ZINC000587131120 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1OC(F)F ZINC000587131160 KK Annotated Clean CCOc1cc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1OC(F)F ZINC000587131161 KK Annotated Clean CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)nc3n2)cn1 ZINC000587131166 KK Annotated Anodyne Cn1nc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131178 KK Annotated Anodyne Cn1nc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131204 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1OC(F)F ZINC000587131212 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)ccc1OC(F)F ZINC000587131213 KK Annotated Anodyne Cn1nc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131222 KK Annotated Anodyne Cn1nc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131232 KK Annotated Anodyne COC(=O)c1cc(Br)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 ZINC000587131234 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587131236 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587131237 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 ZINC000587131273 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3CC(F)(c4cccc(F)c4)C3)nc1-2 ZINC000587131298 KK Annotated Anodyne CC(C)OC(=O)C1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC(F)(F)C1 ZINC000587131338 KK Annotated Bother Cn1nc(-c2nc3c([N+](=O)[O-])c(Br)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131351 KK Annotated Bother COC(=O)c1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2c(F)c1Nc1ccccc1 ZINC000587131352 KK Annotated Anodyne Cn1nc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 ZINC000587131354 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587131356 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)ccc1OC(F)F ZINC000587131357 KK Annotated Anodyne CCOc1cc(/C=C\c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587131358 KK Annotated Anodyne CCOc1cc(/C=C/c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)ccc1OC(F)F ZINC000587131359 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2nc(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)[nH]c2c1 ZINC000587131362 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3nn(C)c4nccc(-c5cccc(OC(F)F)c5)c34)nc2cc1Br ZINC000587131395 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587131420 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c3cc21 ZINC000587131468 KK Annotated Clean O=C(O)c1cc2[nH]c(C3CC(F)(c4cccc(F)c4)C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587131504 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3cc21 ZINC000587131520 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c21 ZINC000587131587 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(C(=O)OC(C)C)CC(F)(F)C4)[nH]c3cc21 ZINC000587131615 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3cc21 ZINC000587131710 KK Annotated Clean CCCCCCCCOc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587131816 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1Br ZINC000587131817 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C(F)(F)C1 ZINC000587131902 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C(F)(F)C1 ZINC000587131903 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c21 ZINC000587131968 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132116 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 ZINC000587132117 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c21 ZINC000587132146 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c21 ZINC000587132147 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(F)CCCCC3)[nH]c21 ZINC000587132187 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(F)CCCCC4)[nH]c3cc21 ZINC000587132209 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)c(C)c(F)c3)[nH]c21 ZINC000587132383 KK Annotated Clean COc1c(F)ccc(F)c1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587132389 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(F)c(OC)c3N)[nH]c21 ZINC000587132577 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc21 ZINC000587132587 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(F)ccc(F)c4OC)[nH]c3cc21 ZINC000587132711 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3cc21 ZINC000587132741 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3cc21 ZINC000587132742 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132747 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Br ZINC000587132751 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C(F)(F)C1 ZINC000587132863 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(F)ccc(F)c3OC)[nH]c21 ZINC000587133001 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(C)c(F)c4)[nH]c3cc21 ZINC000587133023 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C(F)(F)C1 ZINC000587133080 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(F)CCCCC4)[nH]c3cc21 ZINC000587133109 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587133173 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C(F)(F)C1 ZINC000587133174 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3cc21 ZINC000587133189 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c3cc21 ZINC000587133190 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12 ZINC000587133210 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(C)c(F)c4)[nH]c3cc21 ZINC000587133295 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Br ZINC000587133332 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(OC)c4N)[nH]c3cc21 ZINC000587133355 KK Annotated Clean COc1c(F)ccc(F)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587133399 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3cc21 ZINC000587133447 KK Annotated Clean COc1c(F)ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1N ZINC000587133471 KK Annotated Anodyne O=C(O)c1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587133552 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3cc21 ZINC000587133555 KK Annotated Anodyne COc1c(F)ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1N ZINC000587133597 KK Annotated Bother O=C(c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl ZINC000587133630 KK Annotated Reactive O=C(O)c1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587133715 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587133716 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc1-2 ZINC000587133719 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc1-2 ZINC000587133720 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c21 ZINC000587133773 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3cc21 ZINC000587133985 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)cc(F)c3O)[nH]c21 ZINC000587134019 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c21 ZINC000587134043 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c21 ZINC000587134184 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)c(OC)c(F)c3)[nH]c21 ZINC000587134187 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c21 ZINC000587134188 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587134207 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587134212 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(OC)c(F)c4)[nH]c3cc21 ZINC000587134248 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc(F)c4O)[nH]c3cc21 ZINC000587134323 KK Annotated Anodyne Fc1c(F)c(F)c(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1F ZINC000587134462 KK Annotated Reactive Fc1c(F)c(F)c(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1F ZINC000587134465 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc21 ZINC000587134497 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc21 ZINC000587134506 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c3cc21 ZINC000587134520 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Br ZINC000587134743 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)c(N)c(F)c3)[nH]c21 ZINC000587134756 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(N)c(F)c4)[nH]c3cc21 ZINC000587134847 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(F)cc(F)c3O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587134927 KK Annotated Bother O=S(=O)(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)c(F)c1F ZINC000587134944 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc(F)c4O)[nH]c3cc21 ZINC000587134951 KK Annotated Clean CCCCCCCCOc1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1Br ZINC000587134959 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3cc21 ZINC000587134980 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc21 ZINC000587135161 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc21 ZINC000587135163 KK Annotated Clean COc1c(F)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587135216 KK Annotated Bother COc1c(F)cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1F ZINC000587135228 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(N)c(F)c4)[nH]c3cc21 ZINC000587135339 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 ZINC000587135373 KK Annotated Mild Fc1c(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c(F)c1S ZINC000587135374 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587135388 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135401 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 ZINC000587135402 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(F)c3NC)[nH]c21 ZINC000587135509 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(F)c4NC)[nH]c3cc21 ZINC000587135536 KK Annotated Clean COC(=O)c1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587135569 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587135593 KK Annotated Mild Cc1c(F)cccc1-c1cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135615 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)c(F)cc4F)[nH]c3cc21 ZINC000587135639 KK Annotated Clean Cc1c(F)cccc1-c1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc([N+](=O)[O-])c1 ZINC000587135664 KK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135668 KK Annotated Bother CNc1c(F)cccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587135682 KK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135712 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)c(F)cc4F)[nH]c3cc21 ZINC000587135738 KK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135747 KK Annotated Bother Fc1cc(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Br ZINC000587135761 KK Annotated Reactive CC(C)(C)Oc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(N)cc1F ZINC000587135763 KK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135787 KK Annotated Bother CCCCCOc1cc2nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587135809 KK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135817 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)c(F)cc3F)[nH]c21 ZINC000587135864 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5cccc(F)c5C)cc([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587135888 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c3cc21 ZINC000587135896 KK Annotated Anodyne Cc1c(F)cccc1-c1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135998 KK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587135999 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587136039 KK Annotated Bother CC(C)CCOc1cc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2cc1Br ZINC000587136059 KK Annotated Anodyne Nc1c(F)c(F)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1F ZINC000587136093 KK Annotated Bother Cc1cc(N(C)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136124 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587136156 KK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136256 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4cccc(F)c4C)cc([N+](=O)[O-])c3)[nH]c21 ZINC000587136259 KK Annotated Clean CC(C)(C)Oc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(N)cc1F ZINC000587136289 KK Annotated Reactive Cc1cc(N(C)Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136357 KK Annotated Bother Cc1c(F)cccc1-c1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 ZINC000587136359 KK Annotated Bother CCCCCCCCOc1cc2nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587136417 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5cccc(F)c5C)cc([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587136443 KK Annotated Bother Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136548 KK Annotated Bother CC(C)(C)Oc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(N)cc1F ZINC000587136549 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(N)c(N)cc4F)[nH]c3cc21 ZINC000587136552 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Br ZINC000587136650 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1Br ZINC000587136731 KK Annotated Mild CC(C)(C)Oc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(N)cc1F ZINC000587136795 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3cc21 ZINC000587136829 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)c(Br)cc3F)[nH]c21 ZINC000587136855 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)c(F)c(N)c3F)[nH]c21 ZINC000587136860 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c21 ZINC000587136913 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587136916 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c3cc21 ZINC000587136926 KK Annotated Clean Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587136982 KK Annotated Bother O=S(=O)(c1cc(Br)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1F)N1CCOCC1 ZINC000587137022 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Cl)c(Br)cc3F)nc1-2 ZINC000587137035 KK Annotated Anodyne Fc1cc(Br)c(Cl)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587137058 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3cc21 ZINC000587137066 KK Annotated Clean Fc1cc(Br)c(Cl)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587137123 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(N)c(N)cc3F)[nH]c21 ZINC000587137150 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C)c3cc(C)c(F)cc3[N+](=O)[O-])[nH]c21 ZINC000587137162 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C)c4cc(C)c(F)cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587137186 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(F)c(N)c4F)[nH]c3cc21 ZINC000587137300 KK Annotated Anodyne Cc1cc(N(C)Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137370 KK Annotated Bother Cc1cc(N(C)Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137373 KK Annotated Bother Cc1cc(N(C)Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c([N+](=O)[O-])cc1F ZINC000587137417 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Br)c(F)cc3F)nc1-2 ZINC000587137585 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(C)cc4Br)[nH]c3cc21 ZINC000587137598 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)c(C)cc4Br)[nH]c3cc21 ZINC000587137757 KK Annotated Clean Cc1cc(Br)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1F ZINC000587137782 KK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587137785 KK Annotated Reactive Cc1cc(Br)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1F ZINC000587137805 KK Annotated Anodyne Cc1cc(Br)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587137841 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1Br ZINC000587137853 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Br ZINC000587137908 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3cc21 ZINC000587137927 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587137955 KK Annotated Clean O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137956 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587137965 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587137968 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587137971 KK Annotated Anodyne Cc1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587137974 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137977 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137978 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)c(C)cc3Br)[nH]c21 ZINC000587137981 KK Annotated Clean CCCCNS(=O)(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587137986 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587137990 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137991 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137992 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137993 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587137996 KK Annotated Anodyne COc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587137997 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587137998 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138001 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587138004 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138013 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138016 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@H](Cc5cc(F)c(F)c(F)c5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587138020 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(CO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138022 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138023 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138026 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138036 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138038 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138039 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138040 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138041 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138042 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138043 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138044 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138045 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138046 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138047 KK Annotated Anodyne CCc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138048 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138049 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138053 KK Annotated Anodyne N#Cc1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138055 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138057 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587138059 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138060 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138062 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138064 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138065 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138067 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138070 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138071 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138072 KK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(F)c2)c1 ZINC000587138114 KK Annotated Bother O=C(O)c1ccc(-c2cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1F ZINC000587138178 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 ZINC000587138205 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)[nH]c3cc21 ZINC000587138224 KK Annotated Clean O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587138225 KK Annotated Anodyne C=CCc1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138276 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138277 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cnccc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138278 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587138282 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138287 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(CCO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138288 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587138289 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587138291 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138295 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3cc21 ZINC000587138297 KK Annotated Clean COc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587138300 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138301 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138307 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3cn[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138308 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138309 KK Annotated Anodyne COc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587138311 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138313 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138315 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587138316 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138317 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138318 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138321 KK Annotated Anodyne COc1nccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138322 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138325 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2c1 ZINC000587138327 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587138328 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587138330 KK Annotated Anodyne Cc1cnc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138331 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587138333 KK Annotated Anodyne N#Cc1nc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2nc1C#N ZINC000587138336 KK Annotated Mild Cc1cncc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138338 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138340 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138342 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587138344 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138345 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138346 KK Annotated Anodyne COc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587138347 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138351 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138356 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138357 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138359 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138360 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138365 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587138375 KK Annotated Anodyne Cc1nc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587138382 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138386 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c3cc21 ZINC000587138398 KK Annotated Clean O=C(O)c1ccc(-c2cc(-c3nc4c(I)cnc(Cl)c4[nH]3)ccc2F)cc1F ZINC000587138405 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587138421 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc1-2 ZINC000587138441 KK Annotated Anodyne COc1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138477 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138478 KK Annotated Bother Cc1c(F)ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138479 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138481 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138482 KK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587138486 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138489 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138491 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138493 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587138497 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138506 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138507 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138510 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587138513 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138516 KK Annotated Reactive O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138531 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587138537 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138538 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138539 KK Annotated Bother CN(C)S(=O)(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138544 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc1-2 ZINC000587138547 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138548 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138552 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138563 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138564 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138565 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587138566 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587138567 KK Annotated Anodyne O=C(O)c1ccc(-c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)ccc2F)cc1F ZINC000587138572 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3ccccc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138579 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138580 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138582 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138583 KK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587138587 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138588 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cnncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138595 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138597 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138598 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587138600 KK Annotated Mild NS(=O)(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138602 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138611 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138619 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cc1Br ZINC000587138622 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3cc(F)c(F)c(F)c3)[nH]c21 ZINC000587138623 KK Annotated Clean O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138625 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138629 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138632 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](Cc5cc(F)c(F)c(F)c5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587138635 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138640 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138646 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138648 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587138651 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138660 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138662 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc1-2 ZINC000587138666 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138668 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000587138670 KK Annotated Clean O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138671 KK Annotated Anodyne O=C1CCc2cc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc2N1 ZINC000587138672 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138673 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(I)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138674 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c21 ZINC000587138682 KK Annotated Clean O=C(O)c1ccc(-c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1F ZINC000587138733 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c3cc21 ZINC000587138772 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138778 KK Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138784 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138785 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138787 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587138788 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138789 KK Annotated Anodyne Nc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587138790 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587138792 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138795 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138796 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587138797 KK Annotated Anodyne Nc1ncnc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587138799 KK Annotated Anodyne COc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587138802 KK Annotated Anodyne COc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587138805 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138806 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138808 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587138809 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138814 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138819 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587138822 KK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138825 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138826 KK Annotated Anodyne N=c1[nH]c2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2c(Cl)[nH]1 ZINC000587138828 KK Annotated Anodyne Cc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587138829 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4cc(F)c(F)c(F)c4)[nH]c3cc21 ZINC000587138831 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138832 KK Annotated Mild Cc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587138840 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138842 KK Annotated Mild CN1CCN(c2ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000587138843 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138844 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587138845 KK Annotated Bother O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138846 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138847 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587138850 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138852 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587138853 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138856 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138857 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138863 KK Annotated Mild COc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138864 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138865 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138866 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138867 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587138868 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587138869 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587138870 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587138872 KK Annotated Anodyne N#Cc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C#N ZINC000587138873 KK Annotated Mild O=S(=O)(c1cc(Br)cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1F)N1CCOCC1 ZINC000587138875 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c21 ZINC000587138926 KK Annotated Clean O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138947 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587138969 KK Annotated Anodyne O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587138991 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5cc(C(=O)O)ccc5F)cc4F)[nH]c3cc21 ZINC000587139009 KK Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1F)N1CCOCC1 ZINC000587139043 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c21 ZINC000587139055 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)cc([N+](=O)[O-])c3F)[nH]c21 ZINC000587139065 KK Annotated Clean O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139077 KK Annotated Anodyne NC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587139078 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139087 KK Annotated Anodyne Nc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1N ZINC000587139088 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139089 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587139091 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139092 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587139093 KK Annotated Clean Cc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587139095 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139097 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139100 KK Annotated Anodyne Nc1nccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587139106 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587139107 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587139108 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139109 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139110 KK Annotated Anodyne N#Cc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587139111 KK Annotated Mild O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587139113 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139114 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587139115 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139129 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587139131 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)OCC1c2ccccc2-c2ccccc21 ZINC000587139133 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587139134 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587139135 KK Annotated Anodyne Cc1nccc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587139136 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139137 KK Annotated Anodyne CSc1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587139139 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139140 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139142 KK Annotated Anodyne NNC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587139144 KK Annotated Reactive CCCOc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587139146 KK Annotated Anodyne NC(=O)c1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587139147 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587139148 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587139151 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139152 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)nc3cc2N1 ZINC000587139153 KK Annotated Anodyne Cc1ccnc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587139156 KK Annotated Anodyne COc1cncc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587139157 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139158 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139162 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139163 KK Annotated Bother COC(=O)c1cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587139169 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139173 KK Annotated Anodyne Nc1ccnc2[nH]c([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587139174 KK Annotated Anodyne O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587139175 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@H](Cc4cc(F)c(F)c(F)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587139177 KK Annotated Clean Cc1cc(Cl)cc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587139178 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(-c5ccc(C(C)=O)cc5)c4)[nH]c3cc21 ZINC000587139215 KK Annotated Clean CC(=O)c1ccc(-c2cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)ccc2F)cc1 ZINC000587139219 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(N)c4)[nH]c3cc21 ZINC000587139330 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(F)c(N)c3)[nH]c21 ZINC000587139404 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c21 ZINC000587139517 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(N)c4)[nH]c3cc21 ZINC000587139562 KK Annotated Anodyne CC(=O)c1ccc(-c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1 ZINC000587139572 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3cc21 ZINC000587139576 KK Annotated Clean O=S(=O)(c1cc(Br)cc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1F)N1CCOCC1 ZINC000587139577 KK Annotated Mild O=S(=O)(c1cc(Br)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F)N1CCOCC1 ZINC000587139630 KK Annotated Reactive CC(=O)c1ccc(-c2cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)ccc2F)cc1 ZINC000587139825 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1cc(F)ccc1F ZINC000587139891 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587139893 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587139926 KK Annotated Bother O=S(=O)(Nc1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1)c1cc(F)ccc1F ZINC000587139940 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Cl)cc([N+](=O)[O-])c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587139963 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc([N+](=O)[O-])c4F)[nH]c3cc21 ZINC000587139976 KK Annotated Bother CCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587139980 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587139985 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1cc(F)ccc1F ZINC000587140027 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140052 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140053 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587140059 KK Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587140060 KK Annotated Bother CCCCOc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140087 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140088 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587140123 KK Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1cc(F)ccc1F ZINC000587140168 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc1-2 ZINC000587140187 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1)c1cc(F)ccc1F ZINC000587140194 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4cc(F)ccc4F)[nH]c3cc21 ZINC000587140208 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2c1 ZINC000587140221 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cc(S(=O)(=O)N5CCOCC5)c4F)[nH]c3cc21 ZINC000587140242 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cc(S(=O)(=O)N5CCOCC5)c4F)[nH]c3cc21 ZINC000587140249 KK Annotated Anodyne O=S(=O)(c1cc(Br)cc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1F)N1CCOCC1 ZINC000587140252 KK Annotated Anodyne O=[N+]([O-])c1cc(Cl)cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1F ZINC000587140297 KK Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587140343 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587140344 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140362 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140363 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S)ccc4F)[nH]c3cc21 ZINC000587140381 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3c2)cc1 ZINC000587140386 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3c2)cc1 ZINC000587140387 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587140388 KK Annotated Mild CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587140389 KK Annotated Mild CCCOc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140395 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587140396 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587140439 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4cc(F)ccc4F)[nH]c3cc21 ZINC000587140450 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587140466 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587140471 KK Annotated Reactive CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587140500 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587140501 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587140507 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587140528 KK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587140548 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(CO)ccc4F)[nH]c3cc21 ZINC000587140579 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(CO)ccc3F)[nH]c21 ZINC000587140604 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587140656 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587140657 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587140682 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587140683 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587140687 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587140688 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(CO)ccc4F)[nH]c3cc21 ZINC000587140726 KK Annotated Clean CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(I)c2[nH]1 ZINC000587140728 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c21 ZINC000587140730 KK Annotated Clean CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(I)c2[nH]1 ZINC000587140731 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1cc(F)ccc1F ZINC000587140732 KK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587140776 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1cc(F)ccc1F ZINC000587140783 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c21 ZINC000587140793 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c21 ZINC000587140825 KK Annotated Clean Fc1ccc(F)c(SCc2cccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587140830 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cc(N)ccc4F)[nH]c3cc21 ZINC000587140838 KK Annotated Clean Fc1ccc(F)c(SCc2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2)c1 ZINC000587140841 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1cc(F)ccc1F ZINC000587140854 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587140913 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c3cc21 ZINC000587140914 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587140962 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587140963 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587140974 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587140975 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587140980 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587140981 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587141019 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587141020 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587141048 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1cc(F)ccc1F ZINC000587141051 KK Annotated Mild O=S(=O)(Nc1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587141063 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587141080 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4NS(=O)(=O)c4cc(F)ccc4F)[nH]c3c2)cc1 ZINC000587141105 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1cc(F)ccc1F ZINC000587141118 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cc(N)ccc3F)[nH]c21 ZINC000587141124 KK Annotated Clean CCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587141135 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(CSc4cc(F)ccc4F)c3)nc1-2 ZINC000587141142 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1cc(F)ccc1F ZINC000587141143 KK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2)c1 ZINC000587141157 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cc1Br ZINC000587141163 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc2c1 ZINC000587141199 KK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2)c1 ZINC000587141259 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3c2)cc1 ZINC000587141279 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3c2)cc1 ZINC000587141280 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587141294 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587141295 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587141310 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587141311 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587141323 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c2cc1Br ZINC000587141324 KK Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587141346 KK Annotated Reactive CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587141347 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(CSc5cc(F)ccc5F)c4)[nH]c3cc21 ZINC000587141426 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587141435 KK Annotated Mild Fc1ccc(F)c(SCc2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2)c1 ZINC000587141464 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587141473 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587141487 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587141488 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587141491 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587141492 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c21 ZINC000587141493 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CC(C)C)NS(=O)(=O)c3ccc(F)c(Cl)c3)[nH]c21 ZINC000587141494 KK Annotated Clean CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587141523 KK Annotated Clean CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587141524 KK Annotated Clean CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587141525 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587141526 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S)ccc3F)[nH]c21 ZINC000587141527 KK Annotated Clean CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587141528 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587141529 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587141564 KK Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587141565 KK Annotated Bother CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587141571 KK Annotated Bother CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587141572 KK Annotated Bother CC(C)CCOc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587141582 KK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(Br)c(Br)cc4[nH]3)c2)c1 ZINC000587141611 KK Annotated Anodyne Fc1ccc(F)c(SCc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587141618 KK Annotated Reactive CCCCOc1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2cc1Br ZINC000587141622 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c21 ZINC000587141689 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587141696 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587141732 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587141739 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587141757 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587141761 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587141762 KK Annotated Reactive CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587141763 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587141765 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587141772 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587141773 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cncc(Br)c2[nH]1 ZINC000587141782 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587141785 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587141787 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587141793 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3cc21 ZINC000587141798 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3cc21 ZINC000587141802 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587141811 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587141817 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587141833 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587141834 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587141842 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587141845 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cnc2[nH]1 ZINC000587141851 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587141857 KK Annotated Bother COC(=O)c1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587141861 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587141865 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587141868 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587141871 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587141898 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587141899 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587141906 KK Annotated Anodyne CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587141907 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CC(C)C)NS(=O)(=O)c5ccc(F)c(Cl)c5)[nH]c4c3)o2)cc1 ZINC000587141917 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CC(C)C)NS(=O)(=O)c5ccc(F)c(Cl)c5)[nH]c4c3)o2)cc1 ZINC000587141918 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3cc21 ZINC000587141921 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CC(C)C)NS(=O)(=O)c4ccc(F)c(Cl)c4)[nH]c3cc21 ZINC000587141922 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Br)ccnc2[nH]1 ZINC000587141949 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587141952 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587141955 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587141956 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587141960 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587141961 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(N)(=O)=O)ccc4F)[nH]c3cc21 ZINC000587141965 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccnc(Br)c2[nH]1 ZINC000587141973 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1C ZINC000587141975 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587141980 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587141982 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587141986 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(I)c2[nH]1 ZINC000587141987 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(I)cnc2[nH]1 ZINC000587141994 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587141995 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Br)cc2[nH]1 ZINC000587141997 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142003 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587142007 KK Annotated Clean Cc1cc(Br)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587142015 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587142023 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Br)nc2[nH]1 ZINC000587142034 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587142036 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587142045 KK Annotated Mild COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587142133 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587142137 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587142141 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587142144 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587142147 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587142151 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587142166 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587142169 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587142179 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587142182 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587142188 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(I)cc2[nH]1 ZINC000587142190 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587142193 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587142196 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587142197 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587142200 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1OC ZINC000587142202 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587142212 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587142213 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587142215 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587142217 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c21 ZINC000587142218 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587142221 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142228 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587142230 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587142245 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587142251 KK Annotated Clean CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587142256 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5C[C@H](Oc6ccc(F)c(Cl)c6)CN5C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587142259 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587142260 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587142266 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587142275 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c12 ZINC000587142277 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587142279 KK Annotated Bother CCCCCOc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587142282 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587142285 KK Annotated Anodyne CCCOc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587142291 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cccc(Br)c2[nH]1 ZINC000587142296 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587142301 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587142304 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H](Oc5ccc(F)c(Cl)c5)CN4C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587142307 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587142308 KK Annotated Reactive CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587142317 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587142319 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587142327 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587142340 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc12 ZINC000587142346 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587142358 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587142377 KK Annotated Anodyne Cc1nc2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2cc1Br ZINC000587142387 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587142396 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587142403 KK Annotated Anodyne CCCCOc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587142407 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587142412 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587142418 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587142421 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4cc(N)ccc4F)[nH]c3cc21 ZINC000587142424 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587142431 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587142432 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@H](Oc4ccc(F)c(Cl)c4)CN3C(=O)OC(C)(C)C)nc2c1 ZINC000587142433 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587142434 KK Annotated Anodyne N[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142442 KK Annotated Anodyne N[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142443 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142470 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Br ZINC000587142471 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Br)cc4F)[nH]c3cc21 ZINC000587142509 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Br)cc3F)[nH]c21 ZINC000587142518 KK Annotated Clean COC(=O)c1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587142557 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587142558 KK Annotated Anodyne N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(Br)cc1F ZINC000587142564 KK Annotated Anodyne N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(Br)cc1F ZINC000587142565 KK Annotated Anodyne N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(Br)cc1F ZINC000587142591 KK Annotated Anodyne N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)c1ccc(Br)cc1F ZINC000587142592 KK Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142637 KK Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(Br)cc1F ZINC000587142638 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(Br)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587142659 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S)ccc4F)[nH]c3cc21 ZINC000587142664 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2F)c1 ZINC000587142735 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2cc1Br ZINC000587142780 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2F)c1 ZINC000587142804 KK Annotated Bother COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587142806 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C#N)c(F)c4)[nH]c3cc21 ZINC000587142955 KK Annotated Mild COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2F)c1 ZINC000587142976 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 ZINC000587143103 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)nc2c1 ZINC000587143114 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Br)cc4F)[nH]c3cc21 ZINC000587143181 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Br)cc3F)nc1-2 ZINC000587143182 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2F)c1 ZINC000587143199 KK Annotated Anodyne COc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143210 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(Br)c(Br)cc4[nH]3)cc2F)c1 ZINC000587143248 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc2F)c1 ZINC000587143251 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2cc1Br ZINC000587143256 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2F)c1 ZINC000587143267 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C#N)c(F)c3)[nH]c21 ZINC000587143272 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(-c6cc(OC)ccc6Cl)c(F)c5)[nH]c4c3)o2)cc1 ZINC000587143285 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)cc2F)c1 ZINC000587143295 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c21 ZINC000587143298 KK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587143302 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2F)c1 ZINC000587143326 KK Annotated Anodyne COc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143340 KK Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143347 KK Annotated Anodyne COc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143371 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2F)c1 ZINC000587143383 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)nc2c1 ZINC000587143392 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143396 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5cc(OC)ccc5Cl)c(F)c4)[nH]c3cc21 ZINC000587143430 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c2cc1Br ZINC000587143448 KK Annotated Mild COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2F)c1 ZINC000587143470 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cc2F)c1 ZINC000587143474 KK Annotated Anodyne COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143494 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5cc(OC)cc(C(=O)O)c5)c(F)c4)[nH]c3cc21 ZINC000587143503 KK Annotated Clean COc1cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143524 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143534 KK Annotated Reactive COc1cc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143535 KK Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143565 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143589 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587143641 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587143686 KK Annotated Anodyne N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143716 KK Annotated Reactive N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F ZINC000587143719 KK Annotated Reactive COc1ccc(Cl)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143737 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4cc(OC)ccc4Cl)c(F)c3)[nH]c21 ZINC000587143747 KK Annotated Clean COc1cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143757 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc2F)c1 ZINC000587143766 KK Annotated Anodyne COc1ccc(Cl)c(-c2ccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc2F)c1 ZINC000587143776 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C#N)c(F)c4)[nH]c3cc21 ZINC000587143781 KK Annotated Mild COC(=O)c1cc2nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587143782 KK Annotated Anodyne COc1cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143875 KK Annotated Anodyne Cc1cc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587143884 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)cc(-c4ccc(C(=O)O)cc4F)c3)[nH]c21 ZINC000587143903 KK Annotated Clean COC(=O)c1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587143952 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 ZINC000587143956 KK Annotated Anodyne COc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587143961 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5ccc(C(=O)O)cc5C)cc4F)[nH]c3cc21 ZINC000587144009 KK Annotated Clean Cc1cc(-c2nc3c(Cl)ncc(I)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144033 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1F ZINC000587144047 KK Annotated Anodyne N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144084 KK Annotated Anodyne N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(Br)cc1F ZINC000587144085 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2F)c1 ZINC000587144109 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2F)c1 ZINC000587144122 KK Annotated Bother COc1cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144139 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)cc2F)c1 ZINC000587144142 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144283 KK Annotated Reactive COc1ccc(C(=O)c2ccccc2-c2nc3c(Br)ccc(Br)c3[nH]2)cc1F ZINC000587144299 KK Annotated Anodyne Cc1cc(-c2nc3c(Br)ncc(Br)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144325 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c21 ZINC000587144348 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c21 ZINC000587144350 KK Annotated Clean Cc1cc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587144358 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(C(=O)O)c(F)c5)c(C)c4)nc3cc21 ZINC000587144370 KK Annotated Clean Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(F)c1 ZINC000587144378 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)c(F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587144406 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)cc(-c5ccc(C(=O)O)cc5F)c4)[nH]c3cc21 ZINC000587144421 KK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587144429 KK Annotated Anodyne COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 ZINC000587144461 KK Annotated Reactive COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2F)c1 ZINC000587144482 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587144500 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3cc21 ZINC000587144525 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3cc21 ZINC000587144530 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(F)c1 ZINC000587144534 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1F ZINC000587144545 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc21 ZINC000587144560 KK Annotated Clean Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(F)c1 ZINC000587144580 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1F ZINC000587144661 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c21 ZINC000587144669 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(C(=O)O)c(F)c5)c(C)c4)nc3cc21 ZINC000587144688 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c21 ZINC000587144699 KK Annotated Clean Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1 ZINC000587144728 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5ccc(C(=O)O)cc5C)cc4F)[nH]c3cc21 ZINC000587144730 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccccc3-c3ccc(F)c(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587144755 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c21 ZINC000587144786 KK Annotated Clean COc1ccc(C(=O)c2ccccc2-c2nc3cc(Br)c(Br)cc3[nH]2)cc1F ZINC000587144908 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1F ZINC000587144942 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3cc21 ZINC000587144960 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3cc21 ZINC000587144962 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](N)c5ccc(Br)cc5F)[nH]c4c3)o2)cc1 ZINC000587144978 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@@H](N)c5ccc(Br)cc5F)[nH]c4c3)o2)cc1 ZINC000587144982 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1F ZINC000587144986 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587144993 KK Annotated Reactive Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587144995 KK Annotated Reactive Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(F)c1 ZINC000587145001 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2c(F)c1Nc1ccccc1 ZINC000587145016 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(F)c1 ZINC000587145048 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c21 ZINC000587145071 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5ccc(C)c(F)c5)cc4Cl)[nH]c3cc21 ZINC000587145084 KK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145109 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1Br ZINC000587145158 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cc1Br ZINC000587145181 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587145209 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc(-c4ccccc4)c(F)c3)nc1-2 ZINC000587145223 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F ZINC000587145297 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587145356 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)c4ccc(OC)c(F)c4)[nH]c3cc21 ZINC000587145368 KK Annotated Clean N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145369 KK Annotated Bother N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(Br)cc1F ZINC000587145370 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 ZINC000587145372 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(F)c1 ZINC000587145400 KK Annotated Bother Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(F)c1 ZINC000587145401 KK Annotated Anodyne Cc1cc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145407 KK Annotated Anodyne Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(F)c1 ZINC000587145415 KK Annotated Anodyne Cc1cc(-c2nc3cc(Br)c(OCCC(C)C)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 ZINC000587145504 KK Annotated Anodyne COc1ccc(C(=O)c2ccccc2-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F ZINC000587145507 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587145573 KK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145587 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(-c6ccc(C)c(F)c6)cc5Cl)[nH]c4c3)o2)cc1 ZINC000587145630 KK Annotated Anodyne Fc1ccc(-c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587145647 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(F)c(F)c3)[nH]c21 ZINC000587145657 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5ccc(C)c(F)c5)cc4Cl)[nH]c3cc21 ZINC000587145659 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3cc21 ZINC000587145713 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2cc1Br ZINC000587145777 KK Annotated Mild Cc1ccc(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(Cl)c2)cc1F ZINC000587145817 KK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(Cl)c2)cc1F ZINC000587145854 KK Annotated Anodyne Fc1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1-c1ccccc1 ZINC000587145882 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587145892 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3cc21 ZINC000587146000 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3-c3ccc(F)c(F)c3)nc1-2 ZINC000587146017 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c2cc1Br ZINC000587146022 KK Annotated Anodyne Cc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)cc1F ZINC000587146078 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4ccc(C)c(F)c4)cc3Cl)[nH]c21 ZINC000587146082 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587146117 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(C)c(F)c3)[nH]c21 ZINC000587146198 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(C)c(F)c3)[nH]c21 ZINC000587146199 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(C)c(F)c4)[nH]c3cc21 ZINC000587146229 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(C)c(F)c4)[nH]c3cc21 ZINC000587146230 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C)cc4F)[nH]c3cc21 ZINC000587146381 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C)cc4F)[nH]c3cc21 ZINC000587146422 KK Annotated Clean Cc1ccc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587146715 KK Annotated Bother Cc1ccc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1F ZINC000587146716 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(C)c(F)c4)[nH]c3cc21 ZINC000587146828 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(C)c(F)c4)[nH]c3cc21 ZINC000587146829 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C)cc3F)[nH]c21 ZINC000587146871 KK Annotated Clean COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587146901 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c(F)c2)c1 ZINC000587146916 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587146922 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 ZINC000587146924 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587146926 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc2)cc1F ZINC000587146935 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587146941 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5cc(OC)cc(C(=O)O)c5)cc4F)[nH]c3cc21 ZINC000587146977 KK Annotated Clean CCCCCCCCOc1cc2nc(Cc3ccc(-c4ccc(C(=O)NCC)c(F)c4)cc3)[nH]c2cc1Br ZINC000587146979 KK Annotated Mild COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(F)c2)c1 ZINC000587146996 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)nc2c1 ZINC000587147009 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(=O)OCC)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147037 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc5c(c4[nH]3)C(=O)OC53c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2)cc1F ZINC000587147045 KK Annotated Clean CCNC(=O)c1ccc(-c2ccc(Cc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2)cc1F ZINC000587147052 KK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587147059 KK Annotated Bother CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Br)ccc(Br)c4[nH]3)cc2)cc1F ZINC000587147066 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2)cc1F ZINC000587147069 KK Annotated Mild COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587147110 KK Annotated Bother COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147116 KK Annotated Reactive COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587147153 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c(F)c2)c1 ZINC000587147174 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147191 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147197 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2)cc1F ZINC000587147229 KK Annotated Bother Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587147234 KK Annotated Reactive CCCCCOc1cc2nc(Cc3ccc(-c4ccc(C(=O)NCC)c(F)c4)cc3)[nH]c2cc1Br ZINC000587147235 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc2)cc1F ZINC000587147273 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Br ZINC000587147274 KK Annotated Mild CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147281 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)cc(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c21 ZINC000587147312 KK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587147328 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147341 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587147376 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147384 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587147386 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587147387 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(I)cnc(Cl)c4[nH]3)cc2)cc1F ZINC000587147398 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(Br)cnc(Br)c4[nH]3)cc2)cc1F ZINC000587147403 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2)cc1F ZINC000587147428 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2)cc1F ZINC000587147435 KK Annotated Clean CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc43)cc2)cc1F ZINC000587147465 KK Annotated Clean COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587147508 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2)cc1F ZINC000587147515 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587147525 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147537 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c(F)c2)c1 ZINC000587147556 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)cc(-c5ccc(C(=O)O)c(F)c5)c4)[nH]c3cc21 ZINC000587147569 KK Annotated Clean COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(F)c2)c1 ZINC000587147576 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c(F)c2)c1 ZINC000587147640 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5ccc(F)c(F)c5)nn4C)nc3cc21 ZINC000587147642 KK Annotated Clean CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)cc2)cc1F ZINC000587147649 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587147686 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(F)c2)c1 ZINC000587147703 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587147704 KK Annotated Reactive COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(F)c2)c1 ZINC000587147728 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c(F)c2)c1 ZINC000587147742 KK Annotated Anodyne COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(F)c2)c1 ZINC000587147755 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4cc(OC)cc(C(=O)O)c4)cc3F)[nH]c21 ZINC000587147762 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc21 ZINC000587147793 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3cc21 ZINC000587147816 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3cc21 ZINC000587147820 KK Annotated Clean CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(=O)OC)c(Nc5ccccc5)c(F)c4[nH]3)cc2)cc1F ZINC000587147827 KK Annotated Anodyne COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587147829 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147847 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(S(=O)(=O)Nc5ccc(OC)cc5)cc4[nH]3)cc2)cc1F ZINC000587147882 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C(=O)OC)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147910 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2)cc1F ZINC000587147911 KK Annotated Reactive CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(Oc5ccc(C(=O)OC)cc5)cc4[nH]3)cc2)cc1F ZINC000587147913 KK Annotated Anodyne O=C1C[C@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147937 KK Annotated Anodyne O=C1C[C@@H](c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587147942 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2)cc1F ZINC000587147953 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2)cc1F ZINC000587147961 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2)cc1F ZINC000587148012 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2)cc1F ZINC000587148028 KK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(-c4ccc(C(=O)NCC)c(F)c4)cc3)[nH]c2cc1Br ZINC000587148037 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]3)cc2)cc1F ZINC000587148049 KK Annotated Anodyne Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587148066 KK Annotated Anodyne CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)cc2)cc1F ZINC000587148079 KK Annotated Anodyne COc1ccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(F)c1 ZINC000587148105 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(OC)cc3F)[nH]c21 ZINC000587148109 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587148158 KK Annotated Anodyne O=C1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148187 KK Annotated Reactive O=C1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587148189 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(F)cc3F)[nH]c21 ZINC000587148238 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(F)cc3F)[nH]c21 ZINC000587148244 KK Annotated Clean O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587148337 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587148338 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c21 ZINC000587148391 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c21 ZINC000587148392 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc21 ZINC000587148439 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc21 ZINC000587148441 KK Annotated Clean C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587148448 KK Annotated Bother C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587148450 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(F)cc4F)[nH]c3cc21 ZINC000587148665 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(F)cc4F)[nH]c3cc21 ZINC000587148667 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c21 ZINC000587148743 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c21 ZINC000587148744 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc21 ZINC000587148795 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc21 ZINC000587148796 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587148865 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2cc1Br ZINC000587148867 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587148871 KK Annotated Anodyne O=C(O)c1cc2[nH]c(COc3ccc([N+](=O)[O-])c(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587148912 KK Annotated Bother O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587148967 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587148980 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587148999 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587149003 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3cc21 ZINC000587149004 KK Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 ZINC000587149006 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 ZINC000587149009 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc([N+](=O)[O-])c(F)c3)[nH]c21 ZINC000587149053 KK Annotated Clean COc1ccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(F)c1 ZINC000587149089 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 ZINC000587149430 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 ZINC000587149432 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2cc1Br ZINC000587149442 KK Annotated Anodyne N[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(F)cc1F ZINC000587149469 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc([N+](=O)[O-])c(F)c4)[nH]c3cc21 ZINC000587149522 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 ZINC000587149546 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 ZINC000587149551 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc21 ZINC000587149585 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587149617 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Br ZINC000587149618 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3ccccc3F)[nH]c21 ZINC000587149808 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](Nc3ccccc3)c3ccccc3F)nc1-2 ZINC000587149850 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](Nc3ccccc3)c3ccccc3F)nc1-2 ZINC000587149851 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587149859 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587149860 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3cc21 ZINC000587149871 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4ccccc4F)[nH]c3cc21 ZINC000587149892 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 ZINC000587149934 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 ZINC000587149937 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587149939 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587149943 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)c3ccc(F)cc3F)[nH]c21 ZINC000587150009 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(OC)cc4F)[nH]c3cc21 ZINC000587150012 KK Annotated Clean CCCCCCCCOc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587150028 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587150029 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3cc21 ZINC000587150079 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(-c5ccc(F)c(F)c5)nn4C)nc3cc21 ZINC000587150193 KK Annotated Anodyne O=C1C[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150329 KK Annotated Anodyne O=C1C[C@@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CN1Cc1ccc(F)cc1F ZINC000587150332 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150417 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150418 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1 ZINC000587150470 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)cc1 ZINC000587150471 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587150487 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 ZINC000587150488 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587150495 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 ZINC000587150496 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C/c3ccc(F)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150594 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C\c3ccc(F)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150596 KK Annotated Bother Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587150631 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1F ZINC000587150632 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150776 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587150781 KK Annotated Bother Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587150797 KK Annotated Reactive Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587150801 KK Annotated Reactive O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150981 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 ZINC000587150986 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4ccccc4F)[nH]c3cc21 ZINC000587150998 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CC(=O)N(Cc6ccc(F)cc6F)C5)[nH]c4c3)o2)cc1 ZINC000587151002 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CC(=O)N(Cc6ccc(F)cc6F)C5)[nH]c4c3)o2)cc1 ZINC000587151003 KK Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1F ZINC000587151046 KK Annotated Bother COC(=O)c1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587151083 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587151086 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c21 ZINC000587151095 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c21 ZINC000587151096 KK Annotated Clean Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587151152 KK Annotated Reactive Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F ZINC000587151154 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587151172 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587151176 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc21 ZINC000587151308 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3cc21 ZINC000587151315 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3cc21 ZINC000587151336 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3cc21 ZINC000587151339 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587151411 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587151419 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587151423 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587151429 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587151463 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Nc4ccccc4)c4ccccc4F)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587151480 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587151620 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(F)c(F)c4)[nH]c3cc21 ZINC000587151625 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(F)cc4F)[nH]c3cc21 ZINC000587151684 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(F)cc4F)[nH]c3cc21 ZINC000587151690 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587151807 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587151808 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587151809 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587151810 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@H](Oc5ccc(F)c(F)c5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587151825 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Oc5ccc(F)c(F)c5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587151826 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587151848 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cc1Br ZINC000587151849 KK Annotated Anodyne Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587151929 KK Annotated Anodyne Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587151932 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Oc3ccc(F)c(F)c3)[nH]c21 ZINC000587151971 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Oc3ccc(F)c(F)c3)[nH]c21 ZINC000587151979 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c21 ZINC000587152027 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3cc21 ZINC000587152139 KK Annotated Clean O=C(O)c1cc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587152191 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587152192 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c21 ZINC000587152504 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c21 ZINC000587152505 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c21 ZINC000587152506 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c21 ZINC000587152507 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@H]3c3cccc(F)c3F)nc1-2 ZINC000587152526 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)nc1-2 ZINC000587152527 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@H]3c3cccc(F)c3F)nc1-2 ZINC000587152528 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3C[C@@H]3c3cccc(F)c3F)nc1-2 ZINC000587152529 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5ccc(OC)cc5F)cc4F)[nH]c3cc21 ZINC000587152532 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(F)c2)c(F)c1 ZINC000587152584 KK Annotated Bother Fc1ccccc1-c1nnc(SCc2nc3c(I)cnc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587152585 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)n1-c1ccccc1 ZINC000587152590 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)n1-c1ccccc1 ZINC000587152593 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc4nc5ccccc5nc4cc3[nH]2)n1-c1ccccc1 ZINC000587152603 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3cc21 ZINC000587152629 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152640 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)cc1 ZINC000587152660 KK Annotated Clean CCCCOc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587152662 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152684 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152688 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587152713 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cccc(I)c3[nH]2)n1-c1ccccc1 ZINC000587152715 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)n1-c1ccccc1 ZINC000587152720 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152728 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Br)ccc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152733 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c(F)c1 ZINC000587152823 KK Annotated Reactive Fc1ccccc1-c1nnc(SCc2nc3ccc(I)cc3[nH]2)n1-c1ccccc1 ZINC000587152881 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c4ccccc4c4ccccc4c3[nH]2)n1-c1ccccc1 ZINC000587152889 KK Annotated Bother Fc1ccccc1-c1nnc(SCc2nc3cc(Cl)cc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587152899 KK Annotated Anodyne CCCCCOc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587152901 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)c(F)c(F)c3[nH]2)n1-c1ccccc1 ZINC000587152907 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(I)cnc3[nH]2)n1-c1ccccc1 ZINC000587152921 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)n1-c1ccccc1 ZINC000587152929 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(-c4ccccc4F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587152935 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152957 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587152961 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)n1-c1ccccc1 ZINC000587152964 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(F)c2)c(F)c1 ZINC000587152979 KK Annotated Anodyne CC(C)CCOc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587152983 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587152984 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587153061 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587153062 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587153063 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4c4cccc(F)c4F)[nH]c3cc21 ZINC000587153064 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Cl)c(Br)cnc3[nH]2)n1-c1ccccc1 ZINC000587153071 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c4cccnc4c4ncccc4c3[nH]2)n1-c1ccccc1 ZINC000587153076 KK Annotated Bother COc1ccc(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(F)c2)c(F)c1 ZINC000587153087 KK Annotated Anodyne CC(C)COc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587153112 KK Annotated Anodyne Cc1c(Br)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1C ZINC000587153119 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153135 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(SC(F)(F)F)cc3[nH]2)n1-c1ccccc1 ZINC000587153145 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)n1-c1ccccc1 ZINC000587153153 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153174 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)n1-c1ccccc1 ZINC000587153182 KK Annotated Mild CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CSc5nnc(-c6ccccc6F)n5-c5ccccc5)[nH]c4c3)cc2)CC1 ZINC000587153215 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2c1 ZINC000587153233 KK Annotated Mild O=[N+]([O-])c1cc(Br)cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153249 KK Annotated Bother Fc1ccccc1-c1nnc(SCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587153250 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153258 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587153261 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587153337 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cc1Br ZINC000587153338 KK Annotated Mild Fc1ccccc1-c1nnc(SCc2nc3c(Br)cnc(Br)c3[nH]2)n1-c1ccccc1 ZINC000587153392 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3c(Br)cnc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153438 KK Annotated Anodyne O=S(=O)(c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1)C(F)(F)F ZINC000587153439 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)n1-c1ccccc1 ZINC000587153451 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)c(Br)cc3[nH]2)n1-c1ccccc1 ZINC000587153454 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4F)c3)[nH]c21 ZINC000587153480 KK Annotated Clean Nc1ccc(-c2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)cc1N ZINC000587153487 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)cc1 ZINC000587153492 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc1-2 ZINC000587153512 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(-c4ccccc4F)c3)nc1-2 ZINC000587153559 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cccc(OCc4ccccc4)c3[nH]2)n1-c1ccccc1 ZINC000587153570 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c21 ZINC000587153572 KK Annotated Clean O=C1c2ccccc2C(=O)c2c1ccc1nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c21 ZINC000587153578 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587153617 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1-c1ccccc1 ZINC000587153620 KK Annotated Reactive Fc1ccccc1-c1nnc(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)n1-c1ccccc1 ZINC000587153625 KK Annotated Anodyne CCCOc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587153632 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)n1-c1ccccc1 ZINC000587153638 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587153642 KK Annotated Bother CC(C)Oc1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2cc1Br ZINC000587153646 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c12 ZINC000587153648 KK Annotated Bother COC(=O)c1cc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587153665 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3cc21 ZINC000587153682 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccccc5F)c4)[nH]c3cc21 ZINC000587153689 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)nc-2[nH]1 ZINC000587153702 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)cc(Cl)c3[nH]2)n1-c1ccccc1 ZINC000587153707 KK Annotated Anodyne Fc1ccccc1-c1nnc(SCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)n1-c1ccccc1 ZINC000587153710 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 ZINC000587153721 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1Br ZINC000587153724 KK Annotated Mild O=C(COc1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)Nc1ccccc1F ZINC000587153731 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4OCC(=O)Nc4ccccc4F)[nH]c3cc21 ZINC000587153743 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)nc1-2 ZINC000587153758 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)cc1 ZINC000587153832 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc1-2 ZINC000587153913 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587153918 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Br ZINC000587153940 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Br ZINC000587153953 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1)Nc1ccccc1F ZINC000587153965 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1F ZINC000587153967 KK Annotated Reactive O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587153979 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587153980 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c3cc21 ZINC000587154013 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c3cc21 ZINC000587154014 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587154041 KK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2cc1Br ZINC000587154042 KK Annotated Mild O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587154119 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Br ZINC000587154133 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c1 ZINC000587154149 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1)Nc1ccccc1F ZINC000587154179 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1F ZINC000587154210 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587154426 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587154437 KK Annotated Anodyne CCCOc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1Br ZINC000587154440 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2c1 ZINC000587154449 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587154450 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587154453 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c21 ZINC000587154454 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4OCC(=O)Nc4ccccc4F)[nH]c3cc21 ZINC000587154495 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nn(C)c(O)c4F)[nH]c3cc21 ZINC000587154497 KK Annotated Clean O=C(COc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1)Nc1ccccc1F ZINC000587154502 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nn(C)c(O)c3F)[nH]c21 ZINC000587154687 KK Annotated Clean Fc1ccccc1-c1nnc(SCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)n1-c1ccccc1 ZINC000587154754 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)Nc1ccccc1F ZINC000587154874 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)Nc1ccccc1F ZINC000587154931 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 ZINC000587154934 KK Annotated Mild O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587154941 KK Annotated Reactive O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ncc(Br)cc3F)[nH]c2c1 ZINC000587154968 KK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587154981 KK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587154985 KK Annotated Anodyne C[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155110 KK Annotated Reactive C[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155112 KK Annotated Reactive C[C@@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155127 KK Annotated Anodyne CCCc1nc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)nn1-c1ccccc1F ZINC000587155131 KK Annotated Anodyne C[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587155132 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c2cc1Br ZINC000587155185 KK Annotated Mild O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)Nc1ccccc1F ZINC000587155286 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587155290 KK Annotated Bother COC(=O)c1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587155293 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)Nc1ccccc1F ZINC000587155302 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(=O)(=O)Nc5ccccc5F)c4)[nH]c3cc21 ZINC000587155346 KK Annotated Anodyne CCCCOc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1Br ZINC000587155361 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587155392 KK Annotated Anodyne O=C(COc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1F ZINC000587155402 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(F)c(Br)n3)nc21 ZINC000587155417 KK Annotated Clean CCCCCOc1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cc1Br ZINC000587155425 KK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587155435 KK Annotated Anodyne CC[C@@H](Oc1ccccc1F)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587155438 KK Annotated Anodyne O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587155439 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587155463 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(S(=O)(=O)Nc5ccccc5F)c4)[nH]c3cc21 ZINC000587155467 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(F)c(Br)n4)nc3cc21 ZINC000587155473 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2cc1Br ZINC000587155495 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c21 ZINC000587155523 KK Annotated Clean O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587155625 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2c1 ZINC000587155690 KK Annotated Anodyne CCCc1nc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)nn1-c1ccccc1F ZINC000587155816 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ncc(Br)cc4F)[nH]c3cc21 ZINC000587155840 KK Annotated Clean CC[C@H](Oc1ccccc1F)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587155884 KK Annotated Clean CC[C@@H](Oc1ccccc1F)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587155885 KK Annotated Clean CCCc1nc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)nn1-c1ccccc1F ZINC000587155929 KK Annotated Reactive CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587155953 KK Annotated Clean CC[C@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587155954 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156019 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156020 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156021 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156022 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(F)c(Br)n4)nc3cc21 ZINC000587156100 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1 ZINC000587156191 KK Annotated Anodyne CC[C@H](Oc1ccccc1F)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587156258 KK Annotated Bother CC[C@@H](Oc1ccccc1F)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587156259 KK Annotated Bother COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nn1-c1ccccc1F ZINC000587156332 KK Annotated Reactive CCCc1nc(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)nn1-c1ccccc1F ZINC000587156341 KK Annotated Clean CCCc1nc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)nn1-c1ccccc1F ZINC000587156349 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3nc(CCC)n(-c4ccccc4F)n3)nc2cc1Br ZINC000587156474 KK Annotated Mild COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)nn1-c1ccccc1F ZINC000587156754 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)n(-c5ccccc5F)n4)[nH]c3cc21 ZINC000587156837 KK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)o2)c1 ZINC000587156887 KK Annotated Reactive CC(C)COc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587156891 KK Annotated Anodyne CC(C)CCOc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587156896 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)c(Br)cc4[nH]3)o2)c1 ZINC000587156926 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)o2)c1 ZINC000587156949 KK Annotated Reactive CCCCCCCCOc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587156956 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587156961 KK Annotated Anodyne CCCOc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587156968 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3cc21 ZINC000587156970 KK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Br)cnc(Cl)c4[nH]3)o2)c1 ZINC000587156973 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156997 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156998 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3cc21 ZINC000587156999 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3cc21 ZINC000587157000 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c21 ZINC000587157113 KK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)o2)c1 ZINC000587157126 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157137 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)o2)c1 ZINC000587157160 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)n(-c4ccccc4F)n3)[nH]c21 ZINC000587157164 KK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)o2)c1 ZINC000587157165 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)cc1 ZINC000587157208 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)o2)c1 ZINC000587157215 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ncc(Br)cc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587157217 KK Annotated Bother COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)nn1-c1ccccc1F ZINC000587157240 KK Annotated Anodyne CCCc1nc(-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)nn1-c1ccccc1F ZINC000587157241 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)o2)c1 ZINC000587157242 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)cc(Cl)c4[nH]3)o2)c1 ZINC000587157248 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Cl)c(Br)cnc4[nH]3)o2)c1 ZINC000587157267 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)nc1-2 ZINC000587157274 KK Annotated Anodyne COc1cc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)nn1-c1ccccc1F ZINC000587157276 KK Annotated Anodyne C[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157291 KK Annotated Anodyne C[C@@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587157292 KK Annotated Anodyne N[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157325 KK Annotated Bother N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@@H]1c1ccccc1F ZINC000587157326 KK Annotated Bother N[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157327 KK Annotated Bother N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C[C@H]1c1ccccc1F ZINC000587157328 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(N)C[C@H]3c3ccccc3F)[nH]c21 ZINC000587157351 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(N)C[C@@H]3c3ccccc3F)[nH]c21 ZINC000587157352 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(N)C[C@H]3c3ccccc3F)[nH]c21 ZINC000587157353 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(N)C[C@@H]3c3ccccc3F)[nH]c21 ZINC000587157354 KK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)o2)c1 ZINC000587157385 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157399 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3cc21 ZINC000587157426 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 ZINC000587157434 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Br)cnc(Br)c4[nH]3)o2)c1 ZINC000587157439 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)o2)c1 ZINC000587157456 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)o2)c1 ZINC000587157483 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CCc5nnc(-c6cc(F)ccc6Br)o5)[nH]c4c3)cc2)CC1 ZINC000587157484 KK Annotated Anodyne CCCCCOc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587157499 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 ZINC000587157510 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)o2)c1 ZINC000587157511 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Br ZINC000587157530 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587157534 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2c1 ZINC000587157536 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 ZINC000587157587 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 ZINC000587157591 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc21 ZINC000587157602 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc21 ZINC000587157606 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587157639 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(F)cc3C#N)nc21 ZINC000587157693 KK Annotated Mild CC(C)COc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Br ZINC000587157710 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)cnc(Br)c3[nH]2)c(Cl)c1 ZINC000587157771 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)cnc(Br)c3[nH]2)c(Cl)c1 ZINC000587157772 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587157773 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(Cl)c1 ZINC000587157776 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587157780 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587157782 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CSc4nnc(-c5ccccc5F)n4-c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587157853 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ncc(Br)cc4F)[nH]c3cc21 ZINC000587157914 KK Annotated Anodyne O=C(O)c1cc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587157940 KK Annotated Bother Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)o2)c1 ZINC000587157941 KK Annotated Mild CCCCOc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587157952 KK Annotated Anodyne COC(=O)c1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587157957 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4c(Br)ccc(Br)c4[nH]3)o2)c1 ZINC000587157963 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c21 ZINC000587157977 KK Annotated Clean Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)o2)c1 ZINC000587157989 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 ZINC000587157996 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Br)c(F)c(F)c4[nH]3)o2)c1 ZINC000587158006 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(Cl)cc(Br)c4[nH]3)o2)c1 ZINC000587158009 KK Annotated Anodyne COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587158105 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(Br)ccc(Br)c3[nH]2)c(Cl)c1 ZINC000587158110 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(Br)ccc(Br)c3[nH]2)c(Cl)c1 ZINC000587158111 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587158115 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc21 ZINC000587158126 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(F)cc4C#N)nc3cc21 ZINC000587158131 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@H](Oc5ccc(F)cc5Cl)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587158132 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Oc5ccc(F)cc5Cl)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587158133 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Br ZINC000587158176 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587158210 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587158211 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCc4nnc(-c5cc(F)ccc5Br)o4)[nH]c3c2)cc1 ZINC000587158256 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(C)C=C(c5ccccc5F)NO4)[nH]c3cc21 ZINC000587158262 KK Annotated Clean CC(C)Oc1cc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2cc1Br ZINC000587158270 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(C)C=C(c5ccccc5F)NO4)[nH]c3cc21 ZINC000587158271 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3cc21 ZINC000587158356 KK Annotated Clean O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(Br)c(OCc4ccccc4)cc3[nH]2)cc1 ZINC000587158424 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc2c1 ZINC000587158429 KK Annotated Anodyne Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)o2)c1 ZINC000587158432 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CCc5nnc(-c6cc(F)ccc6Br)o5)[nH]c4c3)cc2)CC1 ZINC000587158434 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ncc(Br)cc3F)[nH]c21 ZINC000587158506 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1Br ZINC000587158541 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(F)cc4C#N)nc3cc21 ZINC000587158604 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc21 ZINC000587158620 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3cc21 ZINC000587158622 KK Annotated Clean O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587158623 KK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1 ZINC000587158626 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1 ZINC000587158627 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cn2)c(Br)c1 ZINC000587158636 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3cc21 ZINC000587158640 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)cc1 ZINC000587158663 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Br ZINC000587158686 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587158693 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587158694 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(F)ccc5-n5cnc6ccccc65)[nH]c4c3)o2)cc1 ZINC000587158706 KK Annotated Anodyne COc1cc(F)ccc1-c1cccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587158720 KK Annotated Anodyne O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587158762 KK Annotated Bother COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587158787 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4cc(F)ccc4[N+](=O)[O-])[nH]c3cc21 ZINC000587158790 KK Annotated Bother Fc1ccccc1-c1nnc(SCc2nc3ccc(Sc4ccccc4)cc3[nH]2)n1-c1ccccc1 ZINC000587158858 KK Annotated Anodyne C[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158939 KK Annotated Bother C[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)C=C(c2ccccc2F)NO1 ZINC000587158945 KK Annotated Bother O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587159000 KK Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587159024 KK Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587159030 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587159031 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587159045 KK Annotated Bother O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587159058 KK Annotated Bother O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c12 ZINC000587159073 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159076 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159077 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c21 ZINC000587159095 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c21 ZINC000587159098 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(F)ccc3-n3cnc4ccccc43)nc1-2 ZINC000587159111 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(Br)ccc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587159142 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159145 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159146 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587159147 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c21 ZINC000587159194 KK Annotated Clean COc1cc(F)ccc1-c1cccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587159223 KK Annotated Bother Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587159231 KK Annotated Anodyne O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)cc1 ZINC000587159283 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(F)cc4-c4ccc(C=O)cc4)nc3cc21 ZINC000587159294 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(F)cc4-c4ccc(C=O)cc4)nc3cc21 ZINC000587159347 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Br ZINC000587159397 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159400 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159401 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2cc1Br ZINC000587159418 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 ZINC000587159424 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159431 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2cc1Br ZINC000587159432 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587159442 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587159443 KK Annotated Anodyne O=C(O)c1cc2[nH]c(COc3cc(F)ccc3[N+](=O)[O-])nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587159508 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(-c5ccc(F)cc5OC)c4)[nH]c3cc21 ZINC000587159525 KK Annotated Clean COc1cc(F)ccc1-c1cccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587159539 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2cc1Br ZINC000587159549 KK Annotated Mild O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159620 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159621 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2c1 ZINC000587159651 KK Annotated Anodyne Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587159655 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587159656 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159688 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c2c1 ZINC000587159689 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c21 ZINC000587159691 KK Annotated Clean Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587159694 KK Annotated Reactive Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 ZINC000587159695 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c21 ZINC000587159697 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c21 ZINC000587159698 KK Annotated Clean Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(Br)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587159710 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(Br)c(Br)cc3[nH]2)c(Cl)c1 ZINC000587159712 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3cc(F)ccc3[N+](=O)[O-])[nH]c21 ZINC000587159760 KK Annotated Clean O=C(O)c1cc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587159862 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587159863 KK Annotated Bother Fc1ccc(O[C@@H](c2ccccc2)c2nc3c(I)cnc(Cl)c3[nH]2)c(Cl)c1 ZINC000587159908 KK Annotated Anodyne Fc1ccc(O[C@H](c2ccccc2)c2nc3c(I)cnc(Cl)c3[nH]2)c(Cl)c1 ZINC000587159909 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1 ZINC000587159965 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Oc4ccc(F)cc4Cl)c4ccccc4)[nH]c3c2)cc1 ZINC000587159966 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3cc21 ZINC000587159970 KK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)c1 ZINC000587159978 KK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587159998 KK Annotated Anodyne COc1cccc(-c2cc(F)cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c1 ZINC000587160014 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)cc([N+](=O)[O-])c3)[nH]c21 ZINC000587160016 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587160026 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3cc(F)cc([N+](=O)[O-])c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587160124 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587160142 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c21 ZINC000587160247 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc(-c5cccc(OC)c5)c4)[nH]c3cc21 ZINC000587160403 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587160407 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587160410 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587160413 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587160417 KK Annotated Clean COc1cccc(-c2cc(F)cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)c1 ZINC000587160429 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587160513 KK Annotated Clean COc1cccc(-c2cc(F)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587160531 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Br ZINC000587160556 KK Annotated Mild O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587160577 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3cc21 ZINC000587160634 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cn2)c(Br)c1 ZINC000587160682 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc(Br)c4)[nH]c3cc21 ZINC000587160699 KK Annotated Clean Fc1ccc(Oc2ccc(-c3nc4ccc(I)cc4[nH]3)cn2)c(Br)c1 ZINC000587160708 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc1-2 ZINC000587160731 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cccc(I)c4[nH]3)cn2)c(Br)c1 ZINC000587160791 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)cn2)c(Br)c1 ZINC000587160854 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c21 ZINC000587160872 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5nnn(Cc6cccc(F)c6)c5Cl)[nH]c4c3)o2)cc1 ZINC000587160895 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587160932 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587160933 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587160934 KK Annotated Bother O=C(O)c1cc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587160935 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c3cc21 ZINC000587160988 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(F)cc(Br)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587160995 KK Annotated Bother COC(=O)c1cc2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587161000 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)cc(Br)c4)[nH]c3cc21 ZINC000587161013 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587161016 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4c(Br)cnc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587161022 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc-2[nH]1 ZINC000587161025 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587161055 KK Annotated Reactive Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cn2)c(Br)c1 ZINC000587161067 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cn2)c(Br)c1 ZINC000587161068 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587161164 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(Oc4ccc(F)cc4Br)nc3)[nH]c21 ZINC000587161214 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c21 ZINC000587161280 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(F)cc(Br)c3)nc1-2 ZINC000587161281 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)cc(Br)c3)[nH]c21 ZINC000587161295 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3ccc(Oc4ccc(F)cc4Br)nc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587161343 KK Annotated Bother Fc1ccc(Oc2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cn2)c(Br)c1 ZINC000587161358 KK Annotated Reactive Fc1ccc(Oc2ccc(-c3nc4cc(I)cnc4[nH]3)cn2)c(Br)c1 ZINC000587161481 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587161503 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587161542 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Oc6ccc(F)cc6Br)nc5)[nH]c4c3)o2)cc1 ZINC000587161548 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587161571 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Oc5ccc(F)cc5Br)nc4)[nH]c3cc21 ZINC000587161585 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cn2)c(Br)c1 ZINC000587161591 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587161604 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cn2)c(Br)c1 ZINC000587161608 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c3cc21 ZINC000587161638 KK Annotated Anodyne Fc1ccc(Oc2ccc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cn2)c(Br)c1 ZINC000587161662 KK Annotated Anodyne O=C(CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)Nc1cccc(F)c1 ZINC000587161668 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587161733 KK Annotated Bother Fc1cccc(Cn2nnc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2Cl)c1 ZINC000587161781 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587161795 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587161860 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587161861 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587161862 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3cc21 ZINC000587161863 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587161971 KK Annotated Clean O=C(CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(F)cc1 ZINC000587162007 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 ZINC000587162135 KK Annotated Anodyne Fc1cccc(Cn2nnc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2Cl)c1 ZINC000587162137 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3cc21 ZINC000587162232 KK Annotated Clean CCCCCCCCOc1cc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2cc1Br ZINC000587162235 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](c3ccc(F)cc3)N(C)C)[nH]c21 ZINC000587162341 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](c3ccc(F)cc3)N(C)C)[nH]c21 ZINC000587162351 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)[nH]c3cc21 ZINC000587162359 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)c3ccc(F)cc3)[nH]c21 ZINC000587162559 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c21 ZINC000587162633 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587162734 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587162736 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3C(=O)c3ccc(F)cc3)nc1-2 ZINC000587162819 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c3cc21 ZINC000587162827 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c21 ZINC000587162918 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C(=C\c3ccc(F)cc3)c3cccs3)nc1-2 ZINC000587162982 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C(=C/c3ccc(F)cc3)c3cccs3)nc1-2 ZINC000587162993 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587162999 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163001 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C(=C/c3ccc(F)cc3)c3cccs3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587163014 KK Annotated Bother O=C(O)c1cc2[nH]c(/C(=C\c3ccc(F)cc3)c3cccs3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587163017 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c21 ZINC000587163049 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c21 ZINC000587163050 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c21 ZINC000587163053 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c21 ZINC000587163056 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163102 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163103 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587163126 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)Nc3cccc(F)c3)[nH]c21 ZINC000587163245 KK Annotated Clean O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587163334 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c3cc21 ZINC000587163368 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c3cc21 ZINC000587163372 KK Annotated Anodyne O=C1CC=C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587163423 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc1-2 ZINC000587163670 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587163805 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587163815 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163821 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163823 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163899 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 ZINC000587163900 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4=CCC(=O)N(Cc5ccc(F)cc5)N4)[nH]c3cc21 ZINC000587163910 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587163959 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3cc21 ZINC000587164076 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3cc21 ZINC000587164089 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](c4ccc(F)cc4)N(C)C)[nH]c3cc21 ZINC000587164370 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccc(F)cc4)N(C)C)[nH]c3cc21 ZINC000587164371 KK Annotated Clean O=C1CC=C(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)NN1Cc1ccc(F)cc1 ZINC000587164387 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C(=C\c5ccc(F)cc5)c5cccs5)[nH]c4c3)cc2)CC1 ZINC000587164444 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(/C(=C/c5ccc(F)cc5)c5cccs5)[nH]c4c3)cc2)CC1 ZINC000587164445 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c12 ZINC000587164483 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c21 ZINC000587164502 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c21 ZINC000587164503 KK Annotated Clean CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587164605 KK Annotated Bother CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587164606 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587164680 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587164682 KK Annotated Anodyne Fc1ccc(/C=C(/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164722 KK Annotated Reactive Fc1ccc(/C=C(\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 ZINC000587164725 KK Annotated Reactive O=C(O)c1cc2[nH]c(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587164739 KK Annotated Bother CCCCCCCCOc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164759 KK Annotated Mild CCCCCCCCOc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1Br ZINC000587164760 KK Annotated Mild Fc1ccc(/C=C(/c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164761 KK Annotated Anodyne Fc1ccc(/C=C(\c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c2cccs2)cc1 ZINC000587164762 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587164824 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587164827 KK Annotated Anodyne COC(=O)c1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587164837 KK Annotated Anodyne CC(C)COc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587164839 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587164846 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 ZINC000587164867 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 ZINC000587164869 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1Br ZINC000587164919 KK Annotated Mild O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587164933 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3cc21 ZINC000587164937 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3cc21 ZINC000587164938 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164942 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 ZINC000587164943 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587164949 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c21 ZINC000587164950 KK Annotated Clean Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587164967 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587164982 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587164985 KK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587165151 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587165188 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2c1 ZINC000587165189 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165196 KK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587165238 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3cc21 ZINC000587165239 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587165295 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165302 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1 ZINC000587165310 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587165312 KK Annotated Anodyne CCCCOc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165326 KK Annotated Anodyne CC(C)Oc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165344 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587165360 KK Annotated Mild Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587165363 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1C ZINC000587165401 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1C ZINC000587165407 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c12 ZINC000587165437 KK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1C ZINC000587165438 KK Annotated Clean O=C(O)c1cc2nc(-c3sccc3-c3ccc(F)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587165439 KK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587165452 KK Annotated Anodyne O=S(=O)(c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1)C(F)(F)F ZINC000587165455 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3sccc3-c3ccc(F)cc3)nc21 ZINC000587165458 KK Annotated Clean CCCOc1cc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2cc1Br ZINC000587165460 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165463 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)nc2c1 ZINC000587165465 KK Annotated Anodyne CCCCCOc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165470 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c1C ZINC000587165478 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1C ZINC000587165481 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3cc21 ZINC000587165484 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587165486 KK Annotated Anodyne Oc1nc(NCc2ccccc2)c2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc-2[nH]1 ZINC000587165488 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3cc21 ZINC000587165494 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3cc21 ZINC000587165499 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C ZINC000587165500 KK Annotated Reactive Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587165503 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)c1C ZINC000587165504 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C ZINC000587165510 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587165514 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)cc1 ZINC000587165522 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Br)cnc(Cl)c3[nH]2)c1C ZINC000587165525 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165526 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3cc21 ZINC000587165532 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1C ZINC000587165536 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1C ZINC000587165540 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)c1C ZINC000587165544 KK Annotated Anodyne CCCOc1cc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2cc1Br ZINC000587165567 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)c(Br)cc3[nH]2)c1C ZINC000587165571 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1C ZINC000587165573 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587165575 KK Annotated Reactive CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(I)c3[nH]2)c1C ZINC000587165594 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165599 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1C ZINC000587165606 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587165610 KK Annotated Reactive Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587165612 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1C ZINC000587165620 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Br)cnc(Br)c3[nH]2)c1C ZINC000587165621 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1C ZINC000587165627 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c21 ZINC000587165630 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1C ZINC000587165651 KK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Br)ccc(Br)c3[nH]2)c1C ZINC000587165659 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c(Br)ccc(Br)c5[nH]4)csc3n2)cc1 ZINC000587165661 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587165666 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c21 ZINC000587165669 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1C ZINC000587165675 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2cc1Br ZINC000587165686 KK Annotated Mild O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587165695 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587165696 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587165702 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)nc1-2 ZINC000587165706 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165717 KK Annotated Anodyne Cc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587165723 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c(I)cnc(Cl)c5[nH]4)csc3n2)cc1 ZINC000587165731 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)csc3n2)cc1 ZINC000587165764 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165769 KK Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Cl ZINC000587165785 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c21 ZINC000587165790 KK Annotated Clean CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(Cc5csc6nc(-c7ccc(F)cc7)cn56)[nH]c4c3)cc2)CC1 ZINC000587165791 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)csc3n2)cc1 ZINC000587165796 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(Cl)c(Br)cnc3[nH]2)c1C ZINC000587165807 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1C ZINC000587165810 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587165817 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587165838 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc1-2 ZINC000587165843 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1C ZINC000587165844 KK Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1C ZINC000587165845 KK Annotated Anodyne CCCCCOc1cc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2cc1Br ZINC000587165862 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)c1C ZINC000587165878 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1C ZINC000587165879 KK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1C ZINC000587165884 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(I)cnc3[nH]2)cc1 ZINC000587165896 KK Annotated Anodyne Cc1cc(Br)cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587165901 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165905 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)cc1 ZINC000587165913 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cncc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165918 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587165919 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165930 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587165931 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165939 KK Annotated Anodyne Cc1nc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2cc1Br ZINC000587165945 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cnc(Cl)[nH]c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165950 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165956 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)csc3n2)cc1 ZINC000587165959 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3cc21 ZINC000587165961 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165963 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587165964 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587165969 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165970 KK Annotated Anodyne Cc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587165975 KK Annotated Bother O=C(N[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165977 KK Annotated Anodyne CC(C)Oc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587165981 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165982 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587165995 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1C ZINC000587166002 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3cc21 ZINC000587166012 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1C ZINC000587166024 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1C ZINC000587166031 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166032 KK Annotated Anodyne CCCOc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587166037 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166051 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166054 KK Annotated Mild O=C(N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166055 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cn5nc(C6CC6)c6c(-c7ccc(F)cc7)ccnc65)[nH]c4c3)o2)cc1 ZINC000587166059 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1C ZINC000587166061 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1C ZINC000587166064 KK Annotated Anodyne Cc1cc(Cl)cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166065 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166069 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)c(Br)cc5[nH]4)csc3n2)cc1 ZINC000587166078 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)cc1 ZINC000587166082 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1C ZINC000587166093 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1C ZINC000587166101 KK Annotated Bother CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)c1C ZINC000587166111 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(I)cnc(Cl)c3[nH]2)c1C ZINC000587166112 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccc(F)cc5)n(C)c4C)[nH]c3cc21 ZINC000587166124 KK Annotated Clean O=C(N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166128 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587166145 KK Annotated Anodyne Cc1c(Br)ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166150 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166158 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587166163 KK Annotated Mild Cc1c(Br)cnc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166168 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166172 KK Annotated Reactive CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1C ZINC000587166175 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5c(Br)cnc(Br)c5[nH]4)csc3n2)cc1 ZINC000587166176 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166180 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cc1Br ZINC000587166186 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166193 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166197 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166206 KK Annotated Anodyne CCCCOc1cc2nc(CCn3c(-c4ccc(F)cc4)cc(C(=O)OCC)c3C)[nH]c2cc1Br ZINC000587166217 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2n1 ZINC000587166218 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1C ZINC000587166236 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166244 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166246 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1C ZINC000587166247 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c21 ZINC000587166248 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(-c5ccc(F)cc5)n(C)c4C)[nH]c3cc21 ZINC000587166252 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587166253 KK Annotated Mild O=C(N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166261 KK Annotated Anodyne CN(C)CCOc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166265 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cncc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166273 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166275 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1C ZINC000587166288 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1C ZINC000587166289 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587166302 KK Annotated Reactive O=C(N[C@@H](Cc1nc2nc(Cl)c[nH]c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166306 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)[nH]c2c1 ZINC000587166310 KK Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1C ZINC000587166316 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166320 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587166322 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C ZINC000587166324 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1Br ZINC000587166326 KK Annotated Mild O=C(N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166328 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cn4nc(C5CC5)c5c(-c6ccc(F)cc6)ccnc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587166343 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166347 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166349 KK Annotated Bother Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(I)cc3[nH]2)cc1 ZINC000587166359 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166388 KK Annotated Anodyne N#Cc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1C#N ZINC000587166394 KK Annotated Mild C=CCc1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166402 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587166412 KK Annotated Mild CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1C ZINC000587166413 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166414 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166415 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166423 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587166450 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(I)cc3[nH]2)c1C ZINC000587166451 KK Annotated Anodyne Cc1c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc(-c2ccc(F)cc2)n1C ZINC000587166453 KK Annotated Anodyne Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccc(I)c3[nH]2)cc1 ZINC000587166458 KK Annotated Anodyne CC(C)CCOc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587166468 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)c1C ZINC000587166470 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166495 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166499 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 ZINC000587166504 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166512 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166519 KK Annotated Clean Cc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Cl ZINC000587166536 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166541 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587166544 KK Annotated Anodyne Fc1ccc(-c2cn3c(Cc4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)csc3n2)cc1 ZINC000587166545 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587166555 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587166557 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166558 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166567 KK Annotated Bother O=C(N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166579 KK Annotated Reactive Cc1c(Br)cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1C ZINC000587166580 KK Annotated Anodyne Cc1c(Cl)ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166583 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166588 KK Annotated Bother O=C(N[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166594 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 ZINC000587166605 KK Annotated Anodyne COc1cncc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166606 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166612 KK Annotated Anodyne Nc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1N ZINC000587166616 KK Annotated Anodyne O=C1COc2cc3[nH]c(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)nc3cc2N1 ZINC000587166619 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166625 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(Cc5csc6nc(-c7ccc(F)cc7)cn56)[nH]c4c3)o2)cc1 ZINC000587166630 KK Annotated Anodyne CC(C)COc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587166632 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166641 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166642 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166648 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4csc5nc(-c6ccc(F)cc6)cn45)[nH]c3cc21 ZINC000587166649 KK Annotated Clean O=C(N[C@@H](Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166650 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166651 KK Annotated Anodyne Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C ZINC000587166653 KK Annotated Reactive O=C(N[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166654 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587166662 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166670 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166676 KK Annotated Anodyne COc1nccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166685 KK Annotated Anodyne O=C1CCc2cc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3cc2N1 ZINC000587166686 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166689 KK Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1OC ZINC000587166690 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166698 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166699 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166717 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166720 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166725 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c32)n1 ZINC000587166735 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166738 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3cc21 ZINC000587166743 KK Annotated Clean O=C(N[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166747 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166759 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587166760 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/C(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587166771 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\C(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587166772 KK Annotated Clean Cc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1C ZINC000587166775 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(O)nc(S)nc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166780 KK Annotated Anodyne COc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1F ZINC000587166791 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166793 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166796 KK Annotated Bother Cc1cc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2cc1[N+](=O)[O-] ZINC000587166797 KK Annotated Bother COc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587166798 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166803 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166804 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587166819 KK Annotated Mild Cc1cc(Br)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587166824 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587166829 KK Annotated Reactive O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587166830 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)Nc4ccc(F)cc4)[nH]c3cc21 ZINC000587166841 KK Annotated Clean O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587166856 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587166865 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587166872 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587166875 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587166876 KK Annotated Bother O=C(N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166893 KK Annotated Bother O=C(N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166901 KK Annotated Anodyne Cc1c(F)ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166908 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166920 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c21 ZINC000587166921 KK Annotated Clean O=C(N[C@@H](Cc1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166922 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166923 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc12 ZINC000587166929 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166944 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166945 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166949 KK Annotated Anodyne Cc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1F ZINC000587166952 KK Annotated Anodyne NC(=O)c1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166955 KK Annotated Anodyne Cc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1C ZINC000587166964 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166973 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166980 KK Annotated Anodyne COC(=O)c1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587166990 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166991 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166992 KK Annotated Anodyne N#Cc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cc1C(F)(F)F ZINC000587166993 KK Annotated Mild CC(C)(C)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2n1 ZINC000587166998 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587166999 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167000 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587167012 KK Annotated Clean O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587167031 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587167053 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Br)ccc(Br)c4[nH]3)c12 ZINC000587167083 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2c1 ZINC000587167086 KK Annotated Anodyne COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587167093 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167110 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167115 KK Annotated Reactive O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167126 KK Annotated Anodyne CC(C)Oc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167129 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cn1 ZINC000587167132 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Cl)ncnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167135 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167138 KK Annotated Anodyne CCOC(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167141 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167146 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167148 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587167151 KK Annotated Clean O=C(N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167156 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167159 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167162 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167165 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167172 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167175 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167176 KK Annotated Bother O=C(N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167181 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167184 KK Annotated Anodyne N#Cc1nc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2nc1C#N ZINC000587167187 KK Annotated Mild O=C(N[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167201 KK Annotated Anodyne N#Cc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167202 KK Annotated Mild O=C(N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167203 KK Annotated Anodyne NC(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167204 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587167227 KK Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587167236 KK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587167263 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167265 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sccc4S(=O)(=O)Nc4ccc(F)cc4)[nH]c3cc21 ZINC000587167300 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587167302 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587167303 KK Annotated Clean O=C(N[C@@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167308 KK Annotated Bother COc1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2cn1 ZINC000587167314 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167319 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167322 KK Annotated Bother O=C(N[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167330 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167341 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167346 KK Annotated Anodyne COC(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1OC ZINC000587167347 KK Annotated Anodyne Cc1cc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c(C)n1 ZINC000587167352 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3cc21 ZINC000587167355 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3cc21 ZINC000587167356 KK Annotated Clean COC(=O)c1ccc(Oc2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587167359 KK Annotated Anodyne COc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2n1 ZINC000587167360 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167371 KK Annotated Anodyne N=c1[nH]c2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc-2c(Cl)[nH]1 ZINC000587167372 KK Annotated Anodyne COC(=O)c1cc2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2cc1OC ZINC000587167377 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167382 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167383 KK Annotated Anodyne COc1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587167384 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)cc1N ZINC000587167400 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167403 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587167408 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587167412 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 ZINC000587167422 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167466 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587167467 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167506 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167507 KK Annotated Bother O=C(N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167524 KK Annotated Anodyne CN1CCN(c2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)CC1 ZINC000587167525 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(C(=O)O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167535 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167536 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167537 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167551 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167556 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167559 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167560 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167563 KK Annotated Anodyne N#Cc1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587167564 KK Annotated Mild O=C(N[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167569 KK Annotated Bother O=C(N[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167577 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167578 KK Annotated Anodyne CC1=C(c2ccc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587167586 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587167594 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3nnn(-c4ccc(F)cc4)c3C3CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587167610 KK Annotated Bother O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587167623 KK Annotated Anodyne CCCCOc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167624 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c12 ZINC000587167632 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Cl)c(Br)cnc4[nH]3)c12 ZINC000587167637 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c12 ZINC000587167641 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587167668 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167696 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c12 ZINC000587167697 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 ZINC000587167699 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c12 ZINC000587167700 KK Annotated Bother CC(C)COc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587167706 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)c(Br)cc4[nH]3)c12 ZINC000587167719 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cc(Cl)c4[nH]3)c12 ZINC000587167721 KK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2C2CC2)cc1 ZINC000587167734 KK Annotated Reactive CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Br)cnc(Cl)c4[nH]3)c12 ZINC000587167763 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c12 ZINC000587167769 KK Annotated Bother Cc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587167772 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c12 ZINC000587167777 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c12 ZINC000587167779 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c12 ZINC000587167780 KK Annotated Mild CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c12 ZINC000587167788 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c12 ZINC000587167789 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c12 ZINC000587167794 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167801 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167802 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167804 KK Annotated Anodyne CSc1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167811 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167833 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167834 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167837 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(I)cnc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167838 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167840 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(F)cc4)[nH]c3cc21 ZINC000587167843 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167844 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 ZINC000587167845 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167851 KK Annotated Bother Cc1cc(C)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587167853 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167854 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(CCO)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167868 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167872 KK Annotated Anodyne COC(=O)c1cc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587167877 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587167889 KK Annotated Anodyne Cc1cc(F)c2[nH]c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc2c1 ZINC000587167891 KK Annotated Anodyne CC(C)(C)c1cccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c12 ZINC000587167895 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3cc21 ZINC000587167902 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3cc21 ZINC000587167910 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)nc1-2 ZINC000587167923 KK Annotated Anodyne O=C(N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587167930 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Oc3ccc(F)cc3)[nH]c21 ZINC000587167983 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Oc3ccc(F)cc3)[nH]c21 ZINC000587167985 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(F)cc4)[nH]c3cc21 ZINC000587168044 KK Annotated Clean O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587168065 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587168147 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587168186 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587168187 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Br)c(F)c4[nH]3)c12 ZINC000587168189 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 ZINC000587168200 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Br)c(O)c4[nH]3)c12 ZINC000587168201 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c12 ZINC000587168229 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Cl)cc(Br)c4[nH]3)c12 ZINC000587168232 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c12 ZINC000587168235 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)c12 ZINC000587168238 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c12 ZINC000587168252 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587168276 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)c(F)cc4[nH]3)c12 ZINC000587168279 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c12 ZINC000587168295 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(F)cc(Br)c4[nH]3)c12 ZINC000587168308 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Br ZINC000587168315 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(F)cc3)[nH]c21 ZINC000587168339 KK Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c12 ZINC000587168366 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587168399 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c12 ZINC000587168403 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3cc21 ZINC000587168406 KK Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(F)cnc(Br)c4[nH]3)c12 ZINC000587168410 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C#N)cc(Br)c4[nH]3)c12 ZINC000587168430 KK Annotated Mild O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c21 ZINC000587168435 KK Annotated Clean Cc1c(Br)cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1C ZINC000587168447 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168462 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sccc5S(=O)(=O)Nc5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587168469 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587168490 KK Annotated Anodyne CCCOc1cc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2cc1Br ZINC000587168566 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(F)cc4)[nH]c3cc21 ZINC000587168579 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(F)cc4)[nH]c3cc21 ZINC000587168580 KK Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(I)cnc4[nH]3)c12 ZINC000587168581 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c12 ZINC000587168599 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587168615 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)c12 ZINC000587168617 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c12 ZINC000587168637 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c3cc21 ZINC000587168669 KK Annotated Clean Cc1nc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2cc1Br ZINC000587168680 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587168686 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c21 ZINC000587168690 KK Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c12 ZINC000587168693 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c12 ZINC000587168702 KK Annotated Mild CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c12 ZINC000587168710 KK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(F)c(Br)c4[nH]3)c12 ZINC000587168724 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c12 ZINC000587168735 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(Br)cnc(Br)c4[nH]3)c12 ZINC000587168737 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(F)cc4)[nH]c3cc21 ZINC000587168803 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168804 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c12 ZINC000587168845 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c12 ZINC000587168852 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(I)cc4[nH]3)c12 ZINC000587168856 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587168857 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c12 ZINC000587168866 KK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c12 ZINC000587168871 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c12 ZINC000587168876 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587168880 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(C6CC6)nc6c5c(C(C)C)nn6-c5ccc(F)cc5)[nH]c4c3)o2)cc1 ZINC000587168883 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c12 ZINC000587168896 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3cc21 ZINC000587168897 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c(I)cnc(Cl)c4[nH]3)c12 ZINC000587168901 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c12 ZINC000587168906 KK Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c12 ZINC000587168921 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c12 ZINC000587168925 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c12 ZINC000587168927 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c12 ZINC000587168930 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168936 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587168956 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c12 ZINC000587168974 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 ZINC000587168975 KK Annotated Anodyne C[C@H](Oc1ccc(F)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587168999 KK Annotated Bother C[C@@H](Oc1ccc(F)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587169000 KK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c12 ZINC000587169088 KK Annotated Clean CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(Br)cc(F)c4[nH]3)c12 ZINC000587169093 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169098 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c12 ZINC000587169103 KK Annotated Bother CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c12 ZINC000587169105 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c12 ZINC000587169115 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587169116 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c12 ZINC000587169118 KK Annotated Reactive Cc1c(Br)cnc2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc12 ZINC000587169138 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)nc2c1 ZINC000587169139 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000587169140 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c12 ZINC000587169144 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c12 ZINC000587169160 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587169182 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c12 ZINC000587169203 KK Annotated Reactive CC(C)COc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169205 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)c12 ZINC000587169210 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c1 ZINC000587169218 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c12 ZINC000587169220 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c21 ZINC000587169221 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C5CC5)nc5c4c(C(C)C)nn5-c4ccc(F)cc4)[nH]c3cc21 ZINC000587169228 KK Annotated Anodyne Fc1ccc(-n2nnc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2C2CC2)cc1 ZINC000587169232 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169233 KK Annotated Mild COC(=O)c1cc2nc(-c3cc(C4CC4)nc4c3c(C(C)C)nn4-c3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587169237 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cccc(I)c4[nH]3)c12 ZINC000587169240 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c12 ZINC000587169252 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c12 ZINC000587169264 KK Annotated Anodyne CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)c12 ZINC000587169269 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169286 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169287 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169302 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169303 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587169310 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3c2)cc1 ZINC000587169311 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C)S(=O)(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587169332 KK Annotated Clean CCCCCCCCOc1cc2nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169361 KK Annotated Mild COC(=O)c1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587169362 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587169364 KK Annotated Anodyne CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 ZINC000587169375 KK Annotated Reactive CC(C)CCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169385 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169388 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(F)cc4)[nH]c3cc21 ZINC000587169460 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(F)cc4)[nH]c3cc21 ZINC000587169462 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587169607 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587169608 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3cc21 ZINC000587169630 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3cc21 ZINC000587169631 KK Annotated Clean CCCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169633 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169634 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169637 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 ZINC000587169638 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587169653 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587169654 KK Annotated Anodyne CCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169685 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169686 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C)S(=O)(=O)c3ccc(F)cc3)[nH]c21 ZINC000587169692 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169752 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 ZINC000587169753 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169773 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587169774 KK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587169797 KK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587169803 KK Annotated Bother C[C@H](CSc1ccc(F)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587169804 KK Annotated Bother O=S(=O)(Nc1ccsc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169807 KK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169823 KK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169883 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587169891 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169933 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587169935 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169961 KK Annotated Mild O=S(=O)(Nc1ccsc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587169965 KK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169969 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587169971 KK Annotated Mild O=S(=O)(Nc1ccsc1-c1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170021 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587170022 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3cc21 ZINC000587170065 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](NS(=O)(=O)c4ccc(F)cc4)c4ccccc4)[nH]c3cc21 ZINC000587170066 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170086 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170087 KK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587170091 KK Annotated Mild O=S(=O)(Nc1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170096 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c21 ZINC000587170139 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587170141 KK Annotated Bother O=S(=O)(Nc1ccsc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587170162 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587170197 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587170198 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170222 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170223 KK Annotated Anodyne O=S(=O)(Nc1ccsc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)c1ccc(F)cc1 ZINC000587170227 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c21 ZINC000587170290 KK Annotated Clean CCCCOc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170291 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c21 ZINC000587170293 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sccc4NS(=O)(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587170301 KK Annotated Clean O=C(O)c1cc2[nH]c([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587170325 KK Annotated Bother COC(=O)c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587170326 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587170328 KK Annotated Bother CC(C)CCOc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170344 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170450 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170470 KK Annotated Anodyne O=c1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170509 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3cc21 ZINC000587170534 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170560 KK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587170577 KK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587170580 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)CSc3ccc(F)cc3)[nH]c21 ZINC000587170599 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)CSc3ccc(F)cc3)[nH]c21 ZINC000587170603 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170615 KK Annotated Mild CCCOc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170640 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)CSc4ccc(F)cc4)[nH]c3cc21 ZINC000587170684 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)CSc4ccc(F)cc4)[nH]c3cc21 ZINC000587170685 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(F)cc1 ZINC000587170731 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1ccc(F)cc1 ZINC000587170732 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587170759 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NS(=O)(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587170766 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@H](NS(=O)(=O)c5ccc(F)cc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587170804 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](NS(=O)(=O)c5ccc(F)cc5)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587170805 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587170818 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587170824 KK Annotated Mild O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170840 KK Annotated Reactive O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587170846 KK Annotated Reactive O=c1c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587170853 KK Annotated Anodyne O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 ZINC000587170883 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 ZINC000587170931 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4sccc4NS(=O)(=O)c4ccc(F)cc4)[nH]c3cc21 ZINC000587170999 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c21 ZINC000587171002 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)CSc4ccc(F)cc4)[nH]c3cc21 ZINC000587171093 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)CSc4ccc(F)cc4)[nH]c3cc21 ZINC000587171094 KK Annotated Clean CC(C)COc1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587171128 KK Annotated Anodyne C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587171134 KK Annotated Anodyne C[C@H](CSc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587171135 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587171230 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587171237 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171251 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)c1ccc(F)cc1 ZINC000587171260 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc2c1 ZINC000587171263 KK Annotated Anodyne CCCOc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587171362 KK Annotated Anodyne CCCOc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587171363 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587171373 KK Annotated Reactive O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 ZINC000587171374 KK Annotated Reactive CC(C)Oc1cc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587171388 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2cc1Br ZINC000587171389 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171393 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171394 KK Annotated Anodyne O=S(=O)(N[C@@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171423 KK Annotated Anodyne O=S(=O)(N[C@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171424 KK Annotated Anodyne O=S(=O)(Nc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 ZINC000587171463 KK Annotated Anodyne O=c1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171500 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171548 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cc1Br ZINC000587171572 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cc(F)cc4c3OCOC4)[nH]c21 ZINC000587171607 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc1-2 ZINC000587171649 KK Annotated Anodyne CS(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171661 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171666 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587171670 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Cl)ccnc4[nH]3)c-2cc1F ZINC000587171681 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5c(cc4[nH]3)OCO5)c-2cc1F ZINC000587171682 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc5ncccc5c4[nH]3)c-2cc1F ZINC000587171693 KK Annotated Bother COc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1C ZINC000587171698 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc1-2 ZINC000587171709 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c-2cc1F ZINC000587171719 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c-2cc1F ZINC000587171724 KK Annotated Reactive O=C1CCc2cc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3cc2N1 ZINC000587171734 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(F)cnc4[nH]3)c-2cc1F ZINC000587171740 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c21 ZINC000587171744 KK Annotated Clean O=C(O)c1cc2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587171747 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(I)cc4[nH]3)c-2cc1F ZINC000587171755 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c-2cc1F ZINC000587171757 KK Annotated Bother Cc1cnc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587171761 KK Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587171774 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c-2cc1F ZINC000587171783 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(F)c(F)c(F)c4[nH]3)c-2cc1F ZINC000587171795 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c-2cc1F ZINC000587171804 KK Annotated Bother N#Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1C#N ZINC000587171813 KK Annotated Mild O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cncnc4[nH]3)c-2cc1F ZINC000587171819 KK Annotated Bother N=c1[nH]cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc-2[nH]1 ZINC000587171831 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(OC(F)(F)F)cc4[nH]2)cn3C2CC2)CC1 ZINC000587171843 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(OCc5ccccc5)c4[nH]3)c-2cc1F ZINC000587171844 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(F)c(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587171847 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(F)c(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587171848 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587171849 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587171850 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171853 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c-2cc1F ZINC000587171854 KK Annotated Bother CC(C)Oc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171858 KK Annotated Anodyne Nc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cn1 ZINC000587171862 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587171864 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c-2cc1F ZINC000587171867 KK Annotated Bother N#Cc1cc(Cl)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587171873 KK Annotated Mild O=c1c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587171882 KK Annotated Anodyne COc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1F ZINC000587171886 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587171890 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c-2cc1F ZINC000587171896 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)ncc4[nH]3)c-2cc1F ZINC000587171906 KK Annotated Bother Cc1cc(F)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587171909 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587171914 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c-2cc1F ZINC000587171918 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)CC1 ZINC000587171922 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(OCc5ccccc5)cc4[nH]3)c-2cc1F ZINC000587171925 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587171926 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587171930 KK Annotated Anodyne N#Cc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171932 KK Annotated Mild CCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171936 KK Annotated Anodyne CCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587171937 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171939 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587171940 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587171941 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587171942 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171946 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)cnc4[nH]3)c-2cc1F ZINC000587171950 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587171953 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587171956 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(F)cc4[nH]2)cn3C2CC2)CC1 ZINC000587171958 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587171959 KK Annotated Bother COC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1OC ZINC000587171961 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171964 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Cl)ncnc4[nH]3)c-2cc1F ZINC000587171966 KK Annotated Bother Cc1c(Br)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1C ZINC000587171971 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(O)ncnc4[nH]3)c-2cc1F ZINC000587171972 KK Annotated Bother Cc1c(Br)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1C ZINC000587171973 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(OC(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587171974 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(OC(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587171975 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)cnc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587171978 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OCc5ccccc5)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587171980 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OCc5ccccc5)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587171981 KK Annotated Anodyne CCc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587171983 KK Annotated Bother COc1cncc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587171990 KK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587171993 KK Annotated Bother CC(C)COc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587172001 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587172004 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587172005 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc1-2 ZINC000587172013 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc1-2 ZINC000587172014 KK Annotated Anodyne CCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172015 KK Annotated Anodyne CCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172016 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(F)(F)(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172017 KK Annotated Reactive N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(F)(F)(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172018 KK Annotated Reactive CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)c(Cl)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172023 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172033 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172034 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 ZINC000587172129 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172133 KK Annotated Anodyne O=c1c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172146 KK Annotated Anodyne O=c1c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587172151 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cc(F)cc5c4OCOC5)[nH]c3cc21 ZINC000587172165 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)CSc4ccc(F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587172177 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)CSc4ccc(F)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587172178 KK Annotated Anodyne Nc1nccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172218 KK Annotated Bother Cc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172219 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3cc21 ZINC000587172220 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172225 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)c(F)cc4[nH]3)c-2cc1F ZINC000587172232 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Cl)cc4[nH]3)c-2cc1F ZINC000587172236 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587172241 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c-2cc1F ZINC000587172242 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cnc(Cl)[nH]c-4n3)c-2cc1F ZINC000587172251 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c5ccccc5c5ccccc5c4[nH]3)c-2cc1F ZINC000587172252 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(=O)c5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172253 KK Annotated Anodyne COc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1OC ZINC000587172254 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(=O)c5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172255 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccccc4[nH]3)c-2cc1F ZINC000587172263 KK Annotated Bother CC(C)(C)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172269 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc5c(c4[nH]3)CCCC5)c-2cc1F ZINC000587172276 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)c(F)cc4[nH]3)c-2cc1F ZINC000587172281 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]2)cn3C2CC2)C1 ZINC000587172286 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]2)cn3C2CC2)C1 ZINC000587172288 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(F)c4[nH]2)cn3C2CC2)CC1 ZINC000587172289 KK Annotated Anodyne Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Cl ZINC000587172291 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(Br)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172297 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3cc21 ZINC000587172298 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccnc(Br)c4[nH]3)c-2cc1F ZINC000587172299 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3cc21 ZINC000587172300 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587172301 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c5ccccc5c5ccccc5c4[nH]2)cn3C2CC2)C1 ZINC000587172304 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c5ccccc5c5ccccc5c4[nH]2)cn3C2CC2)C1 ZINC000587172305 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172306 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172307 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c-2cc1F ZINC000587172310 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-c5nc6ccccc6s5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172318 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(F)cc(Br)c4[nH]3)c-2cc1F ZINC000587172319 KK Annotated Bother Nc1nc(O)c2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2n1 ZINC000587172320 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-c5nc6ccccc6s5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172321 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(C)C)c(Br)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172323 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c32)n1 ZINC000587172327 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c([N+](=O)[O-])cncc4[nH]3)c-2cc1F ZINC000587172330 KK Annotated Bother O=C(O)c1cc(F)cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172331 KK Annotated Bother COC(=O)c1cc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2cc1OC ZINC000587172336 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c-2cc1F ZINC000587172340 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(F)c(Br)c4[nH]3)c-2cc1F ZINC000587172346 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Br)cncc4[nH]3)c-2cc1F ZINC000587172347 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(F)cnc(Cl)c4[nH]3)c-2cc1F ZINC000587172348 KK Annotated Bother Cc1c(Br)ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172351 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172352 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587172363 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172366 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587172367 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172368 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172369 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172370 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587172376 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Oc5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172377 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(Br)c4[nH]3)c-2cc1F ZINC000587172378 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Oc5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172379 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n2)cn3C2CC2)CC1 ZINC000587172383 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172384 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)C2(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc42)cn3C2CC2)CC1 ZINC000587172386 KK Annotated Anodyne COc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Cl ZINC000587172388 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(-c5nnc(-c6ccc(OC)cc6)o5)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172389 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172390 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c5cccnc5c5ncccc5c4[nH]3)c-2cc1F ZINC000587172391 KK Annotated Bother O=C(O)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172393 KK Annotated Bother O=C(O)c1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1F ZINC000587172395 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(F)c(F)c4[nH]3)c-2cc1F ZINC000587172396 KK Annotated Bother CN(C)CCOc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172397 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(O)nc(O)nc4[nH]3)c-2cc1F ZINC000587172398 KK Annotated Bother Cc1cc(C)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587172399 KK Annotated Bother Nc1ccnc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587172400 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c-2cc1F ZINC000587172403 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c-2cc1F ZINC000587172410 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c-2cc1F ZINC000587172412 KK Annotated Mild O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)c(F)c(F)c4[nH]3)c-2cc1F ZINC000587172413 KK Annotated Bother Nc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1N ZINC000587172416 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(F)c4[nH]2)cn3C2CC2)CC1 ZINC000587172490 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587172493 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587172495 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(OC(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172496 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(OC(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172500 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(SC(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172503 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(SC(F)(F)F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172505 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172569 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(F)c(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172570 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)ccc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587172571 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)ccc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587172572 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587172593 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587172594 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)c(Cl)cnc4[nH]2)cn3C2CC2)C1 ZINC000587172595 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)c(Cl)cnc4[nH]2)cn3C2CC2)C1 ZINC000587172596 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5c(cc4[nH]2)C2(OC5=O)c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc42)cn3C2CC2)CC1 ZINC000587172607 KK Annotated Clean O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c-2cc1F ZINC000587172612 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc1-2 ZINC000587172613 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccnc(Cl)c4[nH]3)c-2cc1F ZINC000587172620 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172621 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587172625 KK Annotated Bother COC(=O)c1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cn1 ZINC000587172626 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(F)cnc(Br)c4[nH]3)c-2cc1F ZINC000587172627 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)cnc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587172633 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)cnc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587172634 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c-2cc1F ZINC000587172635 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(S)nc(S)nc4[nH]3)c-2cc1F ZINC000587172638 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]2)cn3C2CC2)CC1 ZINC000587172639 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587172643 KK Annotated Bother COC(=O)c1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587172647 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)nc(Cl)c4[nH]3)c-2cc1F ZINC000587172653 KK Annotated Bother Cc1nccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172654 KK Annotated Bother CC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172655 KK Annotated Bother COC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2n1 ZINC000587172657 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(C(F)(F)F)c4[nH]3)c-2cc1F ZINC000587172660 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccnc4[nH]3)c-2cc1F ZINC000587172661 KK Annotated Bother Cc1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172662 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4nc(Br)c[nH]c-4n3)c-2cc1F ZINC000587172665 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c-2cc1F ZINC000587172666 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Cl)c(Br)cnc4[nH]3)c-2cc1F ZINC000587172668 KK Annotated Bother N#Cc1cc(Br)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587172678 KK Annotated Mild O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Cl)cncc4[nH]3)c-2cc1F ZINC000587172683 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(F)c4[nH]3)c-2cc1F ZINC000587172686 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c-2cc1F ZINC000587172692 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c-2cc1F ZINC000587172698 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c-2cc1F ZINC000587172701 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Br)cc4[nH]3)c-2cc1F ZINC000587172702 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587172703 KK Annotated Reactive O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Br)cnc(Br)c4[nH]3)c-2cc1F ZINC000587172706 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587172707 KK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br ZINC000587172708 KK Annotated Mild Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c(C)n1 ZINC000587172710 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c-2cc1F ZINC000587172711 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c-2cc1F ZINC000587172712 KK Annotated Bother O=C(c1ccccc1)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172713 KK Annotated Bother Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587172714 KK Annotated Bother Cc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1C ZINC000587172715 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(OC(F)(F)F)c4[nH]3)c-2cc1F ZINC000587172717 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172719 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c-2cc1F ZINC000587172720 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)cc(F)c4[nH]3)c-2cc1F ZINC000587172721 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Br)c(O)c4[nH]3)c-2cc1F ZINC000587172722 KK Annotated Bother COc1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172723 KK Annotated Bother CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccc(NCCN(Cc6ccccn6)Cc6ccccn6)cc5-c5c6cc(F)c(=O)cc-6oc6cc(O)c(F)cc56)[nH]c4c3)cc2)CC1 ZINC000587172726 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172729 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587172730 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172738 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172739 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(C(F)(F)F)c4[nH]2)cn3C2CC2)CC1 ZINC000587172742 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(Cl)c4[nH]2)cn3C2CC2)CC1 ZINC000587172754 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]2)cn3C2CC2)C1 ZINC000587172755 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]2)cn3C2CC2)C1 ZINC000587172756 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172760 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172761 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)nc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172766 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)nc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172767 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587172772 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587172773 KK Annotated Anodyne N#Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C(F)(F)F ZINC000587172779 KK Annotated Mild N#Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1C(F)(F)F ZINC000587172780 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCN(CC)CC5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587172787 KK Annotated Mild Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172795 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587172796 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587172798 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587172799 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172806 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172807 KK Annotated Bother Nc1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587172810 KK Annotated Clean Nc1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587172811 KK Annotated Clean N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172819 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(F)c4[nH]2)cn3C2CC2)C1 ZINC000587172820 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172826 KK Annotated Anodyne Nc1ncnc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587172830 KK Annotated Bother NC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172832 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(C(F)(F)F)cc4[nH]3)c-2cc1F ZINC000587172838 KK Annotated Bother CC(C)CCOc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587172840 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(I)cnc(Cl)c4[nH]3)c-2cc1F ZINC000587172843 KK Annotated Bother Nc1ccc(-c2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)cc1N ZINC000587172844 KK Annotated Bother O=C(O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172845 KK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c21 ZINC000587172846 KK Annotated Clean O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5ccccc5cc4[nH]3)c-2cc1F ZINC000587172847 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)c(Cl)cc4[nH]3)c-2cc1F ZINC000587172850 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c-2cc1F ZINC000587172853 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)ncc4[nH]3)c-2cc1F ZINC000587172854 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5c(c4[nH]2)C(=O)OC52c4ccc(N(CC)CC)cc4Oc4cc(N(CC)CC)ccc42)cn3C2CC2)CC1 ZINC000587172855 KK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587172858 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Cl)nc4[nH]3)c-2cc1F ZINC000587172860 KK Annotated Bother CCS(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172861 KK Annotated Bother O=C1COc2cc3[nH]c(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)nc3cc2N1 ZINC000587172862 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c-2cc1F ZINC000587172863 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(NCCN(Cc6ccccn6)Cc6ccccn6)cc5-c5c6cc(F)c(=O)cc-6oc6cc(O)c(F)cc56)[nH]c4c3)o2)cc1 ZINC000587172865 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)cnc4[nH]3)c-2cc1F ZINC000587172866 KK Annotated Bother CC(C)(C)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2n1 ZINC000587172867 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5c(cc4[nH]3)OCCO5)c-2cc1F ZINC000587172868 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(Cl)c4[nH]3)c-2cc1F ZINC000587172869 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c-2cc1F ZINC000587172870 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c-2cc1F ZINC000587172871 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Br)ccc(Br)c4[nH]3)c-2cc1F ZINC000587172872 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Cl)c(Cl)cnc4[nH]3)c-2cc1F ZINC000587172873 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)ncc4[nH]3)c-2cc1F ZINC000587172874 KK Annotated Bother Cc1nc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2cc1Br ZINC000587172875 KK Annotated Bother N=C(N)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172877 KK Annotated Bother Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1F ZINC000587172880 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c-2cc1F ZINC000587172881 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587172882 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(cnc5ccccc54)[nH]3)c-2cc1F ZINC000587172887 KK Annotated Bother Cc1ccnc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587172897 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(I)c4[nH]3)c-2cc1F ZINC000587172898 KK Annotated Bother CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5ccc(NCCN(Cc6ccccn6)Cc6ccccn6)cc5-c5c6cc(F)c(=O)cc-6oc6cc(O)c(F)cc56)[nH]c4c3)cc2)CC1 ZINC000587172900 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c-2cc1F ZINC000587172901 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(I)cnc4[nH]3)c-2cc1F ZINC000587172902 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c-2cc1F ZINC000587172903 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c-2cc1F ZINC000587172904 KK Annotated Bother Cc1cncc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587172905 KK Annotated Bother CN(C)S(=O)(=O)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172911 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc([N+](=O)[O-])c4[nH]3)c-2cc1F ZINC000587172916 KK Annotated Bother Cc1c(Br)cnc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587172917 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccncc4[nH]3)c-2cc1F ZINC000587172918 KK Annotated Bother CCOC(=O)Cc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587172919 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c-2cc1F ZINC000587172922 KK Annotated Bother C=CCc1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587172923 KK Annotated Mild O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Cl)cnc(Cl)c4[nH]3)c-2cc1F ZINC000587172924 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172941 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Br)cnc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587172942 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172943 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c([N+](=O)[O-])c4[nH]2)cn3C2CC2)C1 ZINC000587172944 KK Annotated Bother Cc1cc(Br)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172955 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c12 ZINC000587172956 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c21 ZINC000587172968 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c21 ZINC000587172969 KK Annotated Clean CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C#N)c(C(F)(F)F)cc4[nH]2)cn3C2CC2)CC1 ZINC000587172986 KK Annotated Mild N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Sc5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172989 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Sc5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587172990 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172991 KK Annotated Mild N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587172992 KK Annotated Mild CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OCCC(C)C)c(Br)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173001 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173002 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173003 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)c(Br)cnc4[nH]2)cn3C2CC2)C1 ZINC000587173009 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(Cl)c(Br)cnc4[nH]2)cn3C2CC2)C1 ZINC000587173010 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(OC(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587173011 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(OC(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587173012 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587173026 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc2c1 ZINC000587173027 KK Annotated Anodyne O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(O)nc(S)nc4[nH]3)c-2cc1F ZINC000587173032 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c-2cc1F ZINC000587173034 KK Annotated Bother Cc1cc(Cl)cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173035 KK Annotated Bother CN(C)C(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173037 KK Annotated Bother CCCCOc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587173038 KK Annotated Bother CC1=C(c2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)NNC(=O)C1 ZINC000587173039 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c-2cc1F ZINC000587173040 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(F)cc(F)c4[nH]3)c-2cc1F ZINC000587173044 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)cnc4[nH]3)c-2cc1F ZINC000587173045 KK Annotated Bother O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173046 KK Annotated Bother COc1nccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173047 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c-2cc1F ZINC000587173048 KK Annotated Bother NS(=O)(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173050 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c-2cc1F ZINC000587173051 KK Annotated Mild Cc1ccc(C)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587173052 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(CCO)cc4[nH]3)c-2cc1F ZINC000587173053 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c-2cc1F ZINC000587173054 KK Annotated Bother CC(C)(C)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173056 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ncc[nH]c-4n3)c-2cc1F ZINC000587173057 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(F)cc4[nH]3)c-2cc1F ZINC000587173061 KK Annotated Bother N[C@@H](N=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173062 KK Annotated Bother N[C@H](N=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173063 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)c(Cl)nc4[nH]3)c-2cc1F ZINC000587173064 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Oc5ccc(N)cc5)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173066 KK Annotated Clean COc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2n1 ZINC000587173069 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)cc1 ZINC000587173073 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c-2cc1F ZINC000587173074 KK Annotated Bother Cc1c(Br)cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1C ZINC000587173075 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Br)nc4[nH]3)c-2cc1F ZINC000587173078 KK Annotated Bother Cc1cc(Br)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587173083 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cnncc4[nH]3)c-2cc1F ZINC000587173084 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Br)ccnc4[nH]3)c-2cc1F ZINC000587173089 KK Annotated Bother COc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cn1 ZINC000587173090 KK Annotated Bother Cc1cc(Br)cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173093 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5c(cc4[nH]3)OCCCO5)c-2cc1F ZINC000587173094 KK Annotated Bother Cc1c(Cl)ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173097 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c-2cc1F ZINC000587173100 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(CO)cc4[nH]3)c-2cc1F ZINC000587173102 KK Annotated Bother NNC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173103 KK Annotated Reactive O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(Br)c(F)c4[nH]3)c-2cc1F ZINC000587173104 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c-2cc1F ZINC000587173109 KK Annotated Bother Cc1cc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2cc1[N+](=O)[O-] ZINC000587173115 KK Annotated Bother O=C(c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587173116 KK Annotated Bother Cc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2n1 ZINC000587173118 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)cc(Cl)c4[nH]3)c-2cc1F ZINC000587173119 KK Annotated Bother CSc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173126 KK Annotated Bother Cc1c(F)ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173127 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(F)c(F)c4[nH]2)cn3C2CC2)CC1 ZINC000587173143 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cn(C4CC4)c4cc(N5CCN(CC)CC5)c(F)cc4c3=O)nc2c1 ZINC000587173146 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173147 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173148 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCN(CC)CC5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173150 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(Cl)nc4[nH]2)cn3C2CC2)C1 ZINC000587173151 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)c(Cl)nc4[nH]2)cn3C2CC2)C1 ZINC000587173152 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587173155 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587173156 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173157 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173158 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587173166 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1 ZINC000587173167 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(OCc5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587173168 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(OCc5ccccc5)cc4[nH]2)cn3C2CC2)C1 ZINC000587173169 KK Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173170 KK Annotated Anodyne Cc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173171 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587173178 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(Br)c(C(F)(F)F)c4[nH]2)cn3C2CC2)C1 ZINC000587173179 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173180 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173181 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587173194 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(Br)cc4[nH]2)cn3C2CC2)C1 ZINC000587173195 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3cc21 ZINC000587173196 KK Annotated Clean N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173203 KK Annotated Reactive N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 ZINC000587173204 KK Annotated Reactive CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(F)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)CC1 ZINC000587173214 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c21 ZINC000587173217 KK Annotated Clean CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587173220 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587173226 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 ZINC000587173227 KK Annotated Anodyne N=c1[nH]c2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc-2c(Cl)[nH]1 ZINC000587173255 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(F)c(F)cc4[nH]3)c-2cc1F ZINC000587173256 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4c(Br)cnc(Cl)c4[nH]3)c-2cc1F ZINC000587173258 KK Annotated Bother CCOC(=O)c1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173259 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)cc1 ZINC000587173267 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c-2cc1F ZINC000587173273 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3cc21 ZINC000587173278 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3cc21 ZINC000587173279 KK Annotated Clean O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4nc(Cl)c[nH]c-4n3)c-2cc1F ZINC000587173280 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccnc(O)c4[nH]3)c-2cc1F ZINC000587173283 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c-2cc1F ZINC000587173292 KK Annotated Bother Nc1ccc(Oc2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)cc1 ZINC000587173297 KK Annotated Clean O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c-2cc1F ZINC000587173299 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)c(Br)cc4[nH]3)c-2cc1F ZINC000587173310 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)cc(Cl)c4[nH]3)c-2cc1F ZINC000587173314 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5cn[nH]c5cc4[nH]3)c-2cc1F ZINC000587173320 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cnnc(O)c4[nH]3)c-2cc1F ZINC000587173324 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c-2cc1F ZINC000587173328 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Br)cc(F)c4[nH]3)c-2cc1F ZINC000587173330 KK Annotated Bother CC(C)Oc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173331 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(-n5cnnn5)cc4[nH]3)c-2cc1F ZINC000587173336 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cccc(O)c4[nH]3)c-2cc1F ZINC000587173339 KK Annotated Bother N#Cc1nc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2nc1C#N ZINC000587173340 KK Annotated Mild N#Cc1cccc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587173347 KK Annotated Mild O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(Cl)cc(Br)c4[nH]3)c-2cc1F ZINC000587173348 KK Annotated Bother NC(=O)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173353 KK Annotated Bother CCCCCOc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1Br ZINC000587173354 KK Annotated Bother N#Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1C(F)(F)F ZINC000587173361 KK Annotated Mild Cc1cc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2cc1C ZINC000587173371 KK Annotated Bother O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(O)cc4[nH]3)c-2cc1F ZINC000587173385 KK Annotated Bother COc1ccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c2c1 ZINC000587173387 KK Annotated Bother COc1cc(OC)c2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc2c1 ZINC000587173389 KK Annotated Bother CN1CCN(c2ccc3nc(-c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4-c4c5cc(F)c(=O)cc-5oc5cc(O)c(F)cc45)[nH]c3c2)CC1 ZINC000587173396 KK Annotated Bother NS(=O)(=O)c1cccc2nc(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)[nH]c12 ZINC000587173404 KK Annotated Bother N#Cc1nc(Cl)cc2[nH]c(-c3ccc(NCCN(Cc4ccccn4)Cc4ccccn4)cc3-c3c4cc(F)c(=O)cc-4oc4cc(O)c(F)cc34)nc12 ZINC000587173406 KK Annotated Mild N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]2)cn3C2CC2)C1 ZINC000587173412 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]2)cn3C2CC2)C1 ZINC000587173413 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3cc21 ZINC000587173420 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3cc21 ZINC000587173421 KK Annotated Clean CCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCN(CC)CC5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173430 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173437 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173438 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587173440 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587173441 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587173442 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(C6CC6)c6cc(N7CCCC[C@H](N)C7)c(F)cc6c5=O)[nH]c4c3)o2)cc1 ZINC000587173443 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(C6CC6)c6cc(N7CCCC[C@@H](N)C7)c(F)cc6c5=O)[nH]c4c3)o2)cc1 ZINC000587173444 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587173461 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(Cl)c4[nH]2)cn3C2CC2)C1 ZINC000587173462 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173466 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173467 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]2)cn3C2CC2)CC1 ZINC000587173468 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173476 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173477 KK Annotated Mild N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c5cccnc5c5ncccc5c4[nH]2)cn3C2CC2)C1 ZINC000587173481 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4c5cccnc5c5ncccc5c4[nH]2)cn3C2CC2)C1 ZINC000587173482 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)cc(OC(F)(F)F)c4[nH]2)cn3C2CC2)CC1 ZINC000587173497 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Cl)cc(Br)c4[nH]2)cn3C2CC2)CC1 ZINC000587173498 KK Annotated Anodyne CCCCOc1cc2nc(-c3cn(C4CC4)c4cc(N5CCN(CC)CC5)c(F)cc4c3=O)[nH]c2cc1Br ZINC000587173499 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OCC(C)C)c(Br)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173608 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587173609 KK Annotated Bother N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5nc6ccccc6nc5cc4[nH]2)cn3C2CC2)C1 ZINC000587173614 KK Annotated Bother N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc5nc6ccccc6nc5cc4[nH]2)cn3C2CC2)C1 ZINC000587173615 KK Annotated Bother CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(OC(F)(F)F)c(Br)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173617 KK Annotated Anodyne CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(SC(F)(F)F)cc4[nH]2)cn3C2CC2)CC1 ZINC000587173622 KK Annotated Anodyne O=c1c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173623 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(C6CC6)c6cc(F)c(F)cc6c5=O)[nH]c4c3)o2)cc1 ZINC000587173634 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1N ZINC000587173635 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cn(C5CC5)c5cc(N6CCCC[C@@H](N)C6)c(F)cc5c4=O)[nH]c3c2)cc1N ZINC000587173636 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173653 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(Br)c(F)cc4[nH]2)cn3C2CC2)C1 ZINC000587173654 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5c(c4[nH]2)C(=O)c2ccccc2C5=O)cn3C2CC2)C1 ZINC000587173657 KK Annotated Clean N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc5c(c4[nH]2)C(=O)c2ccccc2C5=O)cn3C2CC2)C1 ZINC000587173658 KK Annotated Clean N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587173659 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)F)c(Cl)cc4[nH]2)cn3C2CC2)C1 ZINC000587173660 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]2)cn3C2CC2)C1 ZINC000587173671 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]2)cn3C2CC2)C1 ZINC000587173672 KK Annotated Anodyne N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(OCc5ccccc5)c4[nH]2)cn3C2CC2)C1 ZINC000587173677 KK Annotated Anodyne N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cccc(OCc5ccccc5)c4[nH]2)cn3C2CC2)C1 ZINC000587173680 KK Annotated Anodyne O=c1c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 ZINC000587173681 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3Cc4cc(F)ccc4O3)[nH]c21 ZINC000587173761 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c21 ZINC000587173762 KK Annotated Clean C[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174139 KK Annotated Reactive C[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174140 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Cc5cc(F)ccc5O4)[nH]c3cc21 ZINC000587174145 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4Cc5cc(F)ccc5O4)[nH]c3cc21 ZINC000587174149 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4coc5cc(F)ccc45)[nH]c3cc21 ZINC000587174167 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3cc21 ZINC000587174169 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3cc21 ZINC000587174172 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3coc4cc(F)ccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587174185 KK Annotated Bother C[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174350 KK Annotated Bother C[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 ZINC000587174356 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc12 ZINC000587174358 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c21 ZINC000587174360 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c21 ZINC000587174369 KK Annotated Clean N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587174654 KK Annotated Bother N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587174659 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4coc5cc(F)ccc45)[nH]c3cc21 ZINC000587174662 KK Annotated Anodyne O=C(O)c1cc2[nH]c([C@H]3Cc4cc(F)ccc4O3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587174980 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H]3Cc4cc(F)ccc4O3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587174981 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c21 ZINC000587175032 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3cc21 ZINC000587175042 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587175157 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3coc4cc(F)ccc34)[nH]c21 ZINC000587175158 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3[nH]c4ccc(F)cc4c3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587175180 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3cc21 ZINC000587175307 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(C)Cc5ccc(F)cc5C(=O)O4)[nH]c3cc21 ZINC000587175308 KK Annotated Clean O=C(O)c1cc2[nH]c(Cc3c(F)cncc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587175381 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc(F)cnc3OC)nc21 ZINC000587175406 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3cc21 ZINC000587175674 KK Annotated Anodyne Nc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cnc2c(F)cccc12 ZINC000587175798 KK Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587175859 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3n[nH]c4c(F)cccc34)nc21 ZINC000587175868 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3c(F)cncc3Cl)[nH]c21 ZINC000587176095 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4c(F)cncc4Cl)[nH]c3cc21 ZINC000587176096 KK Annotated Clean COc1ncc(F)cc1-c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587176107 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3cc21 ZINC000587176286 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc(F)cnc4OC)nc3cc21 ZINC000587176360 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4c(F)cncc4Cl)[nH]c3cc21 ZINC000587176410 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc5c(F)cccc5c4N)[nH]c3cc21 ZINC000587176501 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5cn(C6CC6)c6c(F)c(N7C[C@H](C)N[C@H](C)C7)c(F)c(N)c6c5=O)[nH]c4c3)o2)cc1 ZINC000587176593 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(OC(F)(F)F)c(Br)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176613 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(C(C)(C)C)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176658 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)cc(C(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176695 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587176712 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cncc(F)c4)[nH]c3cc21 ZINC000587176713 KK Annotated Clean Cc1c(Br)cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c1C ZINC000587176738 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cncc(F)c4)[nH]c3cc21 ZINC000587176743 KK Annotated Anodyne CC(C)COc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587176777 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4n[nH]c5c(F)cccc45)nc3cc21 ZINC000587176844 KK Annotated Clean C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(C(=O)Nc6ccc(C(F)(F)F)cc6)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176851 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5c(F)c(N6C[C@H](C)N[C@H](C)C6)c(F)c(N)c5c4=O)[nH]c3cc21 ZINC000587176853 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(-c6c7ccc(=O)cc-7oc7cc(O)ccc67)c(C(=O)O)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176857 KK Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc6nc7ccccc7nc6cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176863 KK Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)F)c(F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176866 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176877 KK Annotated Reactive C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C(C)(C)C)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176882 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587176885 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(S(=O)(=O)Nc6cccc(C(F)(F)F)c6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176888 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)cc(OC(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176890 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(S(=O)(=O)Nc6ccccc6Cl)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176904 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587176920 KK Annotated Mild C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c6ccccc6c6ccccc6c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176924 KK Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(S(=O)(=O)Nc6ccc(Cl)cc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176925 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(C(=O)Nc6ccc(F)c(C(F)(F)F)c6)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176943 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176956 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc4c(F)cccc4c3N)[nH]c21 ZINC000587176957 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c21 ZINC000587176967 KK Annotated Clean C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Sc6ccccc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587176969 KK Annotated Anodyne Nc1c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cnc2c(F)cccc12 ZINC000587176997 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(OCc6ccccc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177007 KK Annotated Anodyne O=C(O)c1cc2nc(-c3n[nH]c4c(F)cccc34)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587177018 KK Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)F)cc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177019 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(F)cc(C(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177036 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)c(Cl)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177038 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cnc5c(F)cccc5c4N)[nH]c3cc21 ZINC000587177046 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5c(F)c(N6C[C@H](C)N[C@H](C)C6)c(F)c(N)c5c4=O)[nH]c3c2)cc1 ZINC000587177054 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(OCc6ccccc6)c(Br)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177056 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177068 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)F)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177070 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cccc(OCc6ccccc6)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177079 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)c(Br)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177093 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c(Br)ccc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177095 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Oc6ccccc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177108 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(SC(F)(F)F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177117 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Cl)cc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177118 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Br)c(C(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177119 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177143 KK Annotated Anodyne CCCCOc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587177264 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(C5CC5)c5c(F)c(N6C[C@H](C)N[C@H](C)C6)c(F)c(N)c5c4=O)[nH]c3cc21 ZINC000587177265 KK Annotated Clean C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5c6cccnc6c6ncccc6c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177282 KK Annotated Bother CC(C)Oc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587177286 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177291 KK Annotated Reactive C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(OC(F)(F)F)c(Cl)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177301 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)F)cc(C(F)(F)F)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177305 KK Annotated Mild C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(Br)cc(Cl)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177313 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cncc(F)c3)[nH]c21 ZINC000587177322 KK Annotated Clean CCCCCOc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587177336 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc6ccccc6cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177343 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(Cl)nc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587177359 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3cc21 ZINC000587177386 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587177453 KK Annotated Bother C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(OC(F)(F)F)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177457 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(C(F)(F)F)c(Br)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177472 KK Annotated Anodyne CCCOc1cc2nc(-c3cn(C4CC4)c4c(F)c(N5C[C@H](C)N[C@H](C)C5)c(F)c(N)c4c3=O)[nH]c2cc1Br ZINC000587177477 KK Annotated Anodyne C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5ccc(Oc6ccc(N)cc6)cc5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 ZINC000587177485 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)nc3F)[nH]c21 ZINC000587177536 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3cc21 ZINC000587177590 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1 ZINC000587177650 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c21 ZINC000587177669 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)nc4F)[nH]c3cc21 ZINC000587177726 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c21 ZINC000587177851 KK Annotated Unstable CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3cc21 ZINC000587177855 KK Annotated Unstable CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cnc4F)[nH]c3cc21 ZINC000587177918 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br ZINC000587177995 KK Annotated Unstable O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587178109 KK Annotated Unstable O=C(O)c1cc2[nH]c(-c3cc(Br)cnc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587178125 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)nc4F)[nH]c3cc21 ZINC000587178162 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Br)cnc4F)[nH]c3cc21 ZINC000587178183 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1 ZINC000587178193 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Br)cnc3F)[nH]c21 ZINC000587178196 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cc(S(=O)(=O)F)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587178287 KK Annotated Unstable FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178362 KK Annotated Reactive Cc1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178366 KK Annotated Anodyne Cc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178368 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178369 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3I)[nH]c21 ZINC000587178374 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(I)c(N)cc5OC)[nH]c4c3)o2)cc1 ZINC000587178380 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1C(F)(F)F ZINC000587178381 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178387 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(I)ccc3I)nc1-2 ZINC000587178389 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178390 KK Annotated Mild Cc1c(Br)cc2nc(-c3cc(I)ccc3I)[nH]c2c1C ZINC000587178392 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c2c1C ZINC000587178401 KK Annotated Anodyne FC(F)(F)Oc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1 ZINC000587178402 KK Annotated Anodyne Ic1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1I ZINC000587178404 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178407 KK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178408 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178418 KK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587178421 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178428 KK Annotated Anodyne Ic1ccc(I)c(-c2nc3cccc(I)c3[nH]2)c1 ZINC000587178442 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178447 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(-c4cc(I)ccc4I)[nH]c3c2)cc1 ZINC000587178453 KK Annotated Clean Ic1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1I ZINC000587178455 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178458 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178460 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587178469 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(I)c1 ZINC000587178480 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587178493 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178495 KK Annotated Bother Clc1c(Br)cnc2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178500 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178501 KK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178503 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3c2)cc1 ZINC000587178507 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(I)c(I)c3)nc1-2 ZINC000587178508 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587178509 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(I)c1 ZINC000587178511 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(I)ccc3I)[nH]c2c(F)c1Nc1ccccc1 ZINC000587178512 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(I)c1 ZINC000587178513 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(I)c1 ZINC000587178517 KK Annotated Anodyne Brc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178536 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(I)ccc3I)[nH]c21 ZINC000587178537 KK Annotated Clean FC(F)(F)c1c(Br)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178539 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccc(I)c(I)c4)[nH]c32)n1 ZINC000587178547 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3cc21 ZINC000587178554 KK Annotated Clean Ic1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1I ZINC000587178561 KK Annotated Bother Ic1ccc(I)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 ZINC000587178562 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587178581 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178583 KK Annotated Reactive FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(I)c1 ZINC000587178586 KK Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587178589 KK Annotated Bother COc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(I)c1 ZINC000587178594 KK Annotated Anodyne Clc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2nc1Cl ZINC000587178595 KK Annotated Anodyne Brc1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1OCc1ccccc1 ZINC000587178597 KK Annotated Anodyne CCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587178601 KK Annotated Anodyne Brc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178609 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(I)c1 ZINC000587178612 KK Annotated Anodyne O=C(O)c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587178614 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587178616 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178617 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587178632 KK Annotated Anodyne Fc1c(Br)ccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178637 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178639 KK Annotated Bother CC(C)(C)c1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2n1 ZINC000587178649 KK Annotated Anodyne FC(F)(F)c1cc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178658 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587178673 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178684 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178691 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178692 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178694 KK Annotated Anodyne Clc1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178699 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2n1 ZINC000587178701 KK Annotated Anodyne Ic1ccc(I)c(-c2nc3ccc(I)cc3[nH]2)c1 ZINC000587178703 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178706 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178709 KK Annotated Mild Brc1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178710 KK Annotated Anodyne N#Cc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1C(F)(F)F ZINC000587178715 KK Annotated Mild Ic1ccc(I)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 ZINC000587178716 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4ccc(I)c(I)c4)[nH]c3c2)cc1N ZINC000587178723 KK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178729 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(I)c(I)c3)[nH]c21 ZINC000587178735 KK Annotated Clean FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587178737 KK Annotated Anodyne FC(F)(F)c1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178740 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(I)c(I)c4)[nH]c3cc21 ZINC000587178742 KK Annotated Clean Brc1ccc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587178746 KK Annotated Anodyne FC(F)(F)Oc1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178747 KK Annotated Anodyne COc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(I)c1 ZINC000587178750 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c(F)c1Nc1ccccc1 ZINC000587178753 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2c1 ZINC000587178763 KK Annotated Anodyne Ic1ccc(I)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000587178768 KK Annotated Bother FC(F)(F)c1ccc(-c2nc3ccc(I)cc3[nH]2)c(I)c1 ZINC000587178769 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178771 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587178772 KK Annotated Anodyne O=[N+]([O-])c1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Cl ZINC000587178773 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178775 KK Annotated Mild COc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(I)c1 ZINC000587178776 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1F ZINC000587178792 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(I)c1 ZINC000587178797 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(OC)cc3I)[nH]c2cc1Br ZINC000587178808 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178810 KK Annotated Anodyne Clc1cnc2[nH]c(-c3cc(I)ccc3I)nc2c1Cl ZINC000587178811 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(I)ccc4I)[nH]c3cc21 ZINC000587178814 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(I)c(N)cc4OC)[nH]c3cc21 ZINC000587178815 KK Annotated Clean Fc1c(Cl)cc2nc(-c3ccc(I)c(I)c3)[nH]c2c1F ZINC000587178817 KK Annotated Anodyne Fc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1Br ZINC000587178820 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587178824 KK Annotated Reactive O=C(O)c1cc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587178827 KK Annotated Bother FC(F)(F)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587178829 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587178832 KK Annotated Mild Clc1cc2nc(-c3cc(I)ccc3I)[nH]c2nc1Cl ZINC000587178840 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(C(F)(F)F)cc3I)[nH]c21 ZINC000587178848 KK Annotated Clean Cc1c(Br)ccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178864 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(I)ccc5I)[nH]c4c3)o2)cc1 ZINC000587178868 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178870 KK Annotated Anodyne Clc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Cl ZINC000587178872 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178884 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587178885 KK Annotated Anodyne Clc1ncc(Br)c2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587178888 KK Annotated Anodyne Clc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587178892 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587178898 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(I)ccc4I)[nH]c3cc21 ZINC000587178899 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587178916 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3ccc(C(F)(F)F)cc3I)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587178928 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(C(F)(F)F)cc5I)[nH]c4c3)o2)cc1 ZINC000587178932 KK Annotated Anodyne N#Cc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1C(F)(F)F ZINC000587178937 KK Annotated Mild FC(F)(F)Oc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Cl ZINC000587178939 KK Annotated Anodyne Brc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178941 KK Annotated Anodyne COc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Cl ZINC000587178948 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178954 KK Annotated Reactive FC(F)(F)Oc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587178955 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178964 KK Annotated Anodyne O=C1CCc2cc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc2N1 ZINC000587178965 KK Annotated Anodyne N#Cc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C#N ZINC000587178967 KK Annotated Mild COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587178970 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(F)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178971 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178975 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587178976 KK Annotated Anodyne COc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587178977 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178978 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587178979 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178982 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cnc3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178983 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587178984 KK Annotated Mild O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(O)nc(O)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178987 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc1-2 ZINC000587178988 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587178992 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587178993 KK Annotated Anodyne COc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587178995 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587179005 KK Annotated Anodyne COc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587179008 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(O)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179009 KK Annotated Anodyne CS(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587179011 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c3cc21 ZINC000587179012 KK Annotated Clean COC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587179014 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587179016 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179023 KK Annotated Anodyne COc1nccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587179024 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179027 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587179028 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179035 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179042 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587179045 KK Annotated Anodyne Nc1ccnc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587179057 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587179070 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3cc(I)ccc3I)[nH]c2cn1 ZINC000587179071 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587179072 KK Annotated Anodyne Clc1ncc(I)c2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179073 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179081 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179084 KK Annotated Anodyne Clc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2c(Cl)n1 ZINC000587179091 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587179098 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179101 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(I)c(N)cc3OC)[nH]c21 ZINC000587179105 KK Annotated Clean FC(F)(F)c1ccc(-c2nc3cccc(I)c3[nH]2)c(I)c1 ZINC000587179106 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587179112 KK Annotated Anodyne Clc1cc2nc(-c3cc(I)ccc3I)[nH]c2c(Cl)n1 ZINC000587179113 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179118 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(F)(F)F)cc4I)[nH]c3cc21 ZINC000587179126 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179127 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587179128 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587179131 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c3c2)cc1 ZINC000587179143 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179148 KK Annotated Bother O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(I)ccc3I)[nH]c21 ZINC000587179150 KK Annotated Clean O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179165 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587179166 KK Annotated Anodyne Fc1cc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1Br ZINC000587179170 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179173 KK Annotated Anodyne Clc1ncc(Br)c2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179195 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179201 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(I)c(I)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587179205 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c2c1F ZINC000587179207 KK Annotated Anodyne Ic1ccc(-c2nc3cccc(I)c3[nH]2)cc1I ZINC000587179209 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587179216 KK Annotated Bother CCCOc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587179222 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179227 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587179230 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(I)c(I)c3)[nH]c21 ZINC000587179231 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587179236 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179239 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179245 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587179249 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179250 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179252 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587179262 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3cn[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179274 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179280 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179284 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179285 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(I)c1 ZINC000587179286 KK Annotated Anodyne Fc1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1Br ZINC000587179288 KK Annotated Anodyne Brc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179291 KK Annotated Anodyne Fc1c(Cl)cc2nc(-c3cc(I)ccc3I)[nH]c2c1F ZINC000587179293 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cnccc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179296 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179298 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179301 KK Annotated Anodyne O=C(c1ccccc1)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179303 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179304 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179307 KK Annotated Anodyne Clc1cnc2[nH]c(-c3ccc(I)c(I)c3)nc2c1Cl ZINC000587179311 KK Annotated Anodyne Ic1ccc(I)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 ZINC000587179325 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587179327 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3c(cc2[nH]1)OCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587179349 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179366 KK Annotated Mild Cc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179369 KK Annotated Anodyne Fc1cc(C(F)(F)F)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179384 KK Annotated Anodyne Fc1c(Br)cc2nc(-c3cc(I)ccc3I)[nH]c2c1F ZINC000587179385 KK Annotated Anodyne Clc1cc(Cl)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179390 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccc(C(F)(F)F)cc3I)nc1-2 ZINC000587179396 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179402 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4cc(I)ccc4I)[nH]c32)n1 ZINC000587179404 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1 ZINC000587179411 KK Annotated Reactive Clc1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 ZINC000587179416 KK Annotated Anodyne FC(F)(F)Sc1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179418 KK Annotated Anodyne Clc1cc(Cl)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179427 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(-c4cc(I)ccc4I)[nH]c3c2)cc1N ZINC000587179441 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587179443 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(I)c1 ZINC000587179452 KK Annotated Anodyne Clc1ncc(I)c2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179458 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179460 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3cc(I)ccc3I)[nH]c12 ZINC000587179473 KK Annotated Anodyne Fc1cc2[nH]c(-c3ccc(I)c(I)c3)nc2cc1C(F)(F)F ZINC000587179479 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179488 KK Annotated Anodyne Fc1cc(Br)c2[nH]c(-c3cc(I)ccc3I)nc2c1 ZINC000587179489 KK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc12 ZINC000587179494 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1 ZINC000587179497 KK Annotated Reactive CC(C)COc1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Br ZINC000587179502 KK Annotated Anodyne Fc1cc2[nH]c(-c3cc(I)ccc3I)nc2cc1Br ZINC000587179503 KK Annotated Anodyne Brc1cnc(Br)c2[nH]c(-c3cc(I)ccc3I)nc12 ZINC000587179507 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2c1 ZINC000587179523 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Br ZINC000587179525 KK Annotated Mild FC(F)(F)c1cc2nc(-c3cc(I)ccc3I)[nH]c2cc1Cl ZINC000587179528 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179541 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(I)c1 ZINC000587179547 KK Annotated Anodyne FC(F)(F)C(F)(F)c1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cn1 ZINC000587179561 KK Annotated Anodyne Clc1cc(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179565 KK Annotated Anodyne FC(F)(F)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 ZINC000587179567 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(I)c1 ZINC000587179571 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c12 ZINC000587179575 KK Annotated Bother COc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(I)c1 ZINC000587179576 KK Annotated Bother CCCOc1cc2nc(-c3ccc(I)c(I)c3)[nH]c2cc1Br ZINC000587179579 KK Annotated Anodyne CC(C)(C)c1cccc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179588 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(I)c(I)c4)[nH]c3cc21 ZINC000587179599 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(I)c1 ZINC000587179603 KK Annotated Anodyne FC(F)(F)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(I)c1 ZINC000587179605 KK Annotated Anodyne Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587179609 KK Annotated Reactive FC(F)(F)c1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(I)c1 ZINC000587179617 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3ccc(C(F)(F)F)cc3I)[nH]c2cc1Cl ZINC000587179621 KK Annotated Anodyne Fc1cc(Br)cc2nc(-c3ccc(I)c(I)c3)[nH]c12 ZINC000587179628 KK Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(I)c1 ZINC000587179632 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179668 KK Annotated Reactive O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179669 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179671 KK Annotated Anodyne COc1cncc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587179672 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179673 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179674 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179675 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179676 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179678 KK Annotated Bother O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179679 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179681 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587179684 KK Annotated Anodyne NC(=O)c1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587179685 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179687 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179690 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179691 KK Annotated Anodyne Cc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587179692 KK Annotated Anodyne Nc1nccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587179693 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179694 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179697 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179699 KK Annotated Bother CC(C)(C)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587179700 KK Annotated Anodyne COc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587179704 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179705 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3ccccc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179709 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587179710 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179712 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179714 KK Annotated Reactive Nc1ccc(Oc2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587179715 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@H](N)Cc5cc(I)c(O)c(I)c5)[nH]c4c3)o2)cc1 ZINC000587179716 KK Annotated Anodyne COc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587179718 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179719 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000587179720 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179721 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587179722 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179723 KK Annotated Bother COC(=O)c1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587179724 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1Br ZINC000587179725 KK Annotated Mild CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](Cc5cc(I)c(O)c(I)c5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587179726 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179727 KK Annotated Bother CCCCOc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1Br ZINC000587179728 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179730 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587179731 KK Annotated Mild Cc1ccc2c(ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587179732 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587179739 KK Annotated Mild O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)OCC1c2ccccc2-c2ccccc21 ZINC000587179740 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179742 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587179743 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c12 ZINC000587179745 KK Annotated Anodyne Cc1cnc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587179746 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587179747 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587179748 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587179750 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179752 KK Annotated Anodyne N=c1[nH]cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2[nH]1 ZINC000587179753 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179755 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Cl)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179757 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179758 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179759 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(O)ncnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179760 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587179764 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179765 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3c(cc2[nH]1)OCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587179767 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179774 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587179777 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587179825 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587179840 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Br)ccnc2[nH]1 ZINC000587179848 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4c(I)c(C(=O)O)nn4C)nc3cc21 ZINC000587179853 KK Annotated Clean N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587179855 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587179862 KK Annotated Mild Cc1nccc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc12 ZINC000587179865 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587179889 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587179891 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587179906 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587179913 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587179924 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nn(C)c(C(=O)O)c4I)[nH]c3cc21 ZINC000587179927 KK Annotated Clean N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587179935 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cncc(Cl)c2[nH]1 ZINC000587179939 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OC)cc3I)[nH]c21 ZINC000587179948 KK Annotated Clean COc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1Cl ZINC000587179966 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587179977 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587179978 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587179985 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587179990 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587179994 KK Annotated Clean CC[C@@H](C)n1ncc(I)c1-c1nc2c3c(ccc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587179997 KK Annotated Clean N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(F)cnc2[nH]1 ZINC000587180000 KK Annotated Anodyne Cc1nc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2cc1Br ZINC000587180013 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587180015 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587180038 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587180041 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 ZINC000587180042 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587180043 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587180050 KK Annotated Clean N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587180052 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587180054 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587180057 KK Annotated Bother N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587180058 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587180065 KK Annotated Anodyne Nc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cn1 ZINC000587180067 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c2cc1Br ZINC000587180119 KK Annotated Mild COc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(I)c1 ZINC000587180166 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OC)cc4I)[nH]c3cc21 ZINC000587180167 KK Annotated Clean O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180181 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180187 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180206 KK Annotated Anodyne N#Cc1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180211 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587180212 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cnnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180213 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180214 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180219 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587180221 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587180228 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3nc4ccccc4nc3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180230 KK Annotated Bother O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180231 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180235 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180240 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587180241 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587180242 KK Annotated Anodyne Cc1ccnc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587180244 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(OC(F)(F)F)cc(Br)cc2[nH]1 ZINC000587180246 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@@H](N)Cc4cc(I)c(Oc5cc(I)c(O)c(I)c5)c(I)c4)[nH]c3c2)CC1 ZINC000587180259 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180260 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587180262 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180266 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587180272 KK Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1C#N ZINC000587180275 KK Annotated Mild O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180278 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2c1 ZINC000587180287 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587180289 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c(C)n1 ZINC000587180293 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)c(Nc3ccccc3)c(C(=O)OC)cc2[nH]1 ZINC000587180296 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(F)c(Nc3ccccc3)c(C(=O)OC)cc2[nH]1 ZINC000587180298 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587180302 KK Annotated Bother NS(=O)(=O)c1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180308 KK Annotated Anodyne COc1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180310 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587180313 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587180317 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587180323 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180327 KK Annotated Bother CCCOc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587180329 KK Annotated Anodyne Nc1nc(O)c2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587180335 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(S(=O)(=O)F)ccc4Cl)[nH]c3cc21 ZINC000587180339 KK Annotated Unstable CCS(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180341 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180344 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180346 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180348 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587180349 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587180350 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2c1C ZINC000587180351 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180358 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180366 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180370 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc12 ZINC000587180381 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c21 ZINC000587180382 KK Annotated Clean N=c1[nH]c2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc-2c(Cl)[nH]1 ZINC000587180385 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587180386 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587180390 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3c(cc2[nH]1)OCCCO3)OCC1c2ccccc2-c2ccccc21 ZINC000587180393 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587180401 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587180402 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180414 KK Annotated Bother Cc1cc(Br)cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587180418 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180425 KK Annotated Anodyne Nc1ncnc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587180430 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587180436 KK Annotated Anodyne Cc1nccc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587180437 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587180439 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cnc(Cl)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587180443 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2cc1Br ZINC000587180448 KK Annotated Mild N=c1[nH]c2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc-2c(Cl)[nH]1 ZINC000587180450 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587180456 KK Annotated Bother COC(=O)c1cc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587180460 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180461 KK Annotated Bother Cc1c(F)ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180463 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587180467 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587180469 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587180472 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587180485 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nn(C)c(C(=O)O)c3I)[nH]c21 ZINC000587180489 KK Annotated Clean CC1=C(c2ccc3nc([C@@H](N)Cc4cc(I)c(Oc5cc(I)c(O)c(I)c5)c(I)c4)[nH]c3c2)NNC(=O)C1 ZINC000587180490 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587180497 KK Annotated Anodyne N#Cc1cccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587180499 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587180506 KK Annotated Anodyne COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1 ZINC000587180519 KK Annotated Reactive COc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(I)c1 ZINC000587180523 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587180546 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc12 ZINC000587180548 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587180550 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587180551 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)cnc2[nH]1 ZINC000587180552 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587180555 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587180558 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587180560 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587180566 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)ncc2[nH]1 ZINC000587180567 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587180591 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 ZINC000587180592 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OC(C)C)cc2[nH]1 ZINC000587180605 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OC(C)C)cc2[nH]1 ZINC000587180606 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3c(I)c(C(=O)O)nn3C)nc21 ZINC000587180716 KK Annotated Clean COc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(I)c1 ZINC000587180750 KK Annotated Anodyne Cn1nc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1C(=O)O ZINC000587180754 KK Annotated Reactive CN(C)CCOc1ccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2c1 ZINC000587180773 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(O)ncnc2[nH]1 ZINC000587180783 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587180788 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587180790 KK Annotated Bother N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587180793 KK Annotated Bother N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587180798 KK Annotated Anodyne Cc1cnc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587180804 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587180808 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587180809 KK Annotated Bother COc1cc(N)c(I)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587180810 KK Annotated Anodyne Cc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180811 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](Cc5cc(I)c(O)c(I)c5)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587180813 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587180814 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587180819 KK Annotated Anodyne C=CCc1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180822 KK Annotated Mild Cc1c(Br)cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2c1C ZINC000587180824 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587180826 KK Annotated Anodyne N#Cc1nc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2nc1C#N ZINC000587180828 KK Annotated Mild COC(=O)c1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587180831 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180834 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587180835 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587180836 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180837 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587180838 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587180845 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587180846 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587180847 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587180849 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587180850 KK Annotated Anodyne Nc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587180851 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000587180854 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c3c2)cc1 ZINC000587180856 KK Annotated Clean O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cncc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180860 KK Annotated Bother N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587180861 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ncc[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587180862 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587180864 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587180867 KK Annotated Anodyne C=CCc1cccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587180868 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180869 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587180881 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587180882 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587180884 KK Annotated Bother O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180885 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587180888 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587180889 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587180891 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180892 KK Annotated Anodyne NC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180896 KK Annotated Anodyne N#Cc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587180898 KK Annotated Mild N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587180899 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587180900 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180901 KK Annotated Anodyne COc1cncc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587180905 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180906 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(CN3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180908 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cncc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180912 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180915 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587180916 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587180917 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180921 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587180923 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180924 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180925 KK Annotated Anodyne COc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587180926 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180927 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587180928 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(OCc3ccccc3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180933 KK Annotated Anodyne Cc1nc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587180934 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180936 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180937 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180938 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180939 KK Annotated Bother O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccnc(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180940 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180941 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180942 KK Annotated Anodyne NNC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180944 KK Annotated Reactive O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180945 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1Br ZINC000587180946 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Cl)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180949 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@@H](Cc4cc(I)c(O)c(I)c4)NC(=O)OCC4c5ccccc5-c5ccccc54)nc3cc2N1 ZINC000587180950 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587180952 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587180955 KK Annotated Bother O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180965 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587180966 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 ZINC000587180968 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587180973 KK Annotated Anodyne Cc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587180974 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587180976 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587180977 KK Annotated Clean CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587180978 KK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587180983 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180986 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180990 KK Annotated Anodyne CCc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587180993 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(I)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587180995 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3c(I)cnn3[C@@H](C)CC)nc2cc1Br ZINC000587181001 KK Annotated Anodyne CCCOc1cc2[nH]c(-c3c(I)cnn3[C@H](C)CC)nc2cc1Br ZINC000587181002 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3c(I)cnn3[C@H](C)CC)nc2cc1Br ZINC000587181058 KK Annotated Anodyne CCCCOc1cc2[nH]c(-c3c(I)cnn3[C@@H](C)CC)nc2cc1Br ZINC000587181059 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 ZINC000587181067 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OCCC(C)C)cc2[nH]1 ZINC000587181068 KK Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cn1 ZINC000587181071 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](N)Cc4cc(I)c(Oc5cc(I)c(O)c(I)c5)c(I)c4)[nH]c3c2)cc1N ZINC000587181073 KK Annotated Anodyne Cc1cncc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587181078 KK Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1C ZINC000587181079 KK Annotated Anodyne Cc1ccnc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc12 ZINC000587181080 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587181086 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587181091 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587181092 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2cc1[N+](=O)[O-] ZINC000587181094 KK Annotated Bother CCCCCOc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587181095 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587181096 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587181097 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587181098 KK Annotated Anodyne N#Cc1nc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2nc1C#N ZINC000587181099 KK Annotated Mild CCCCOc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587181102 KK Annotated Anodyne CCCOc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1Br ZINC000587181108 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587181110 KK Annotated Reactive N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587181112 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587181114 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587181115 KK Annotated Reactive CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587181116 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587181117 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587181121 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587181128 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587181129 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2c1 ZINC000587181130 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587181135 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587181137 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(-c3nnc(-c4ccc(OC)cc4)o3)ccc2[nH]1 ZINC000587181141 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(-c3nnc(-c4ccc(OC)cc4)o3)ccc2[nH]1 ZINC000587181143 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587181146 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587181150 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cncc(Br)c2[nH]1 ZINC000587181154 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OCC(C)C)cc2[nH]1 ZINC000587181159 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OCC(C)C)cc2[nH]1 ZINC000587181160 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3c(I)cnn3[C@@H](C)CC)nc2cc1Br ZINC000587181162 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3c(I)cnn3[C@H](C)CC)nc2cc1Br ZINC000587181164 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2c1 ZINC000587181165 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000587181169 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2[nH]1 ZINC000587181171 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587181172 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587181181 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587181184 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587181190 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc2c1 ZINC000587181192 KK Annotated Anodyne COc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1F ZINC000587181193 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587181201 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 ZINC000587181203 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587181208 KK Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1Cl ZINC000587181214 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587181217 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587181220 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587181221 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587181227 KK Annotated Anodyne N#Cc1ccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2c1 ZINC000587181230 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587181234 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587181256 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1 ZINC000587181257 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181271 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cnncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181273 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587181275 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587181276 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181277 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181278 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587181279 KK Annotated Anodyne Cc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587181283 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181284 KK Annotated Anodyne COc1cc(N)c(I)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587181288 KK Annotated Anodyne Cc1cccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587181290 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181291 KK Annotated Anodyne COc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587181292 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587181293 KK Annotated Anodyne Cc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587181294 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181297 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587181298 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181299 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181303 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181304 KK Annotated Bother CN(C)CCOc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587181305 KK Annotated Anodyne Cc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587181307 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181312 KK Annotated Bother Cc1c(Br)cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587181315 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587181316 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(CCO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181317 KK Annotated Anodyne Nc1cc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1N ZINC000587181320 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181321 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2nc(Cl)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587181323 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181324 KK Annotated Anodyne CSc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587181325 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181328 KK Annotated Anodyne Cc1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587181329 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181331 KK Annotated Bother COc1cc(N)c(I)cc1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587181334 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc3c(c2[nH]1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587181337 KK Annotated Anodyne N#Cc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1C(F)(F)F ZINC000587181341 KK Annotated Mild N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587181345 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181348 KK Annotated Anodyne Cc1cncc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587181350 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Oc3ccccc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181351 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587181354 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587181356 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587181357 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587181358 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587181361 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c12 ZINC000587181365 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587181369 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1Br ZINC000587181370 KK Annotated Anodyne Nc1ncnc2[nH]c([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)nc12 ZINC000587181371 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587181372 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ncc[nH]c-2n1 ZINC000587181377 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cnnc(O)c2[nH]1 ZINC000587181379 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587181384 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587181392 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587181393 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(CO)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181394 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181396 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587181397 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181398 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4cc(I)c(O)c(I)c4)[nH]c3cc21 ZINC000587181402 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587181416 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(F)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181422 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181425 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](N)Cc3cc(I)c(O)c(I)c3)[nH]c2cc1Br ZINC000587181428 KK Annotated Anodyne O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cccc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587181432 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587181447 KK Annotated Anodyne N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587181465 KK Annotated Anodyne Cc1cc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2cc1Br ZINC000587181467 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587181482 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587181483 KK Annotated Anodyne N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587181496 KK Annotated Reactive CCCCCOc1cc2[nH]c(-c3c(I)cnn3[C@H](C)CC)nc2cc1Br ZINC000587181511 KK Annotated Anodyne CCCCCOc1cc2[nH]c(-c3c(I)cnn3[C@@H](C)CC)nc2cc1Br ZINC000587181512 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587181531 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 ZINC000587181532 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587181548 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587181549 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587181561 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OCc3ccccc3)cc2[nH]1 ZINC000587181562 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587181568 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(OC(F)(F)F)cc2[nH]1 ZINC000587181569 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587181597 KK Annotated Anodyne CC[C@H](C)n1ncc(I)c1-c1nc2cc(Br)c(OC(F)(F)F)cc2[nH]1 ZINC000587181598 KK Annotated Anodyne CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587181622 KK Annotated Reactive CC[C@H](C)n1ncc(I)c1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587181623 KK Annotated Reactive CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587181704 KK Annotated Bother CC[C@H](C)n1ncc(I)c1-c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587181705 KK Annotated Bother CCCCOc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587181753 KK Annotated Anodyne CCCCOc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587181754 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)n4ncc(I)c4C)[nH]c3cc21 ZINC000587181834 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4ncc(I)c4C)[nH]c3cc21 ZINC000587181835 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)n4ncc(I)c4C)[nH]c3cc21 ZINC000587181866 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4ncc(I)c4C)[nH]c3cc21 ZINC000587181867 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Br ZINC000587181874 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nc(O)nc(O)c3I)[nH]c21 ZINC000587181907 KK Annotated Clean Cc1c(I)cnn1[C@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587181943 KK Annotated Bother Cc1c(I)cnn1[C@@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587181944 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(Cl)cc(I)c5)[nH]c4c3)o2)cc1 ZINC000587181988 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182008 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(I)ccc3F)[nH]c2c(F)c1Nc1ccccc1 ZINC000587182032 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc(I)c4)[nH]c3cc21 ZINC000587182036 KK Annotated Clean Fc1ccc(I)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587182060 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182065 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182073 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182098 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182140 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182148 KK Annotated Anodyne CSc1sc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182161 KK Annotated Anodyne CSc1sc(-c2nc3ccc4c(c3[nH]2)CCCC4)c(I)c1S(=O)(=O)C(C)C ZINC000587182164 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182170 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)nc2c1 ZINC000587182189 KK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587182200 KK Annotated Reactive CCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1Br ZINC000587182202 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587182203 KK Annotated Reactive Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587182211 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587182212 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182223 KK Annotated Anodyne CSc1sc(-c2nc3cccc(I)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182225 KK Annotated Anodyne CSc1sc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182231 KK Annotated Anodyne CSc1sc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182251 KK Annotated Reactive Clc1cc(I)cc(-c2nc3c(Br)cnc(Br)c3[nH]2)c1 ZINC000587182268 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(I)ccc4F)[nH]c3cc21 ZINC000587182276 KK Annotated Clean CSc1sc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182277 KK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587182287 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587182288 KK Annotated Anodyne C=CCc1cccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c12 ZINC000587182292 KK Annotated Mild CSc1sc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182293 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182295 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182296 KK Annotated Mild CSc1sc(-c2nc3ccc(F)c(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182302 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5sc(SC)c(S(=O)(=O)C(C)C)c5I)[nH]c4c3)o2)cc1 ZINC000587182304 KK Annotated Anodyne CSc1sc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182307 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587182312 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182313 KK Annotated Anodyne CSc1sc(-c2nc3c(F)cnc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182316 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(Cl)cc(I)c3)[nH]c21 ZINC000587182325 KK Annotated Clean COC(=O)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2c(F)c1Nc1ccccc1 ZINC000587182334 KK Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1Cl ZINC000587182348 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182349 KK Annotated Mild FC(F)(F)c1c(Br)ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182351 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182357 KK Annotated Anodyne CSc1sc(-c2nc3cc(F)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182359 KK Annotated Anodyne Clc1ccc(I)cc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587182367 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(I)ccc3Cl)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587182368 KK Annotated Bother CSc1sc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182371 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(Cl)cc(I)c3)nc1-2 ZINC000587182384 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182385 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182388 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(I)ccc4Cl)[nH]c3cc21 ZINC000587182390 KK Annotated Clean CC(C)COc1cc2nc(-c3cc(Cl)cc(I)c3)[nH]c2cc1Br ZINC000587182398 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nc(O)nc(O)c4I)[nH]c3cc21 ZINC000587182423 KK Annotated Clean CCCCCOc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587182433 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587182434 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182456 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182458 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182460 KK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587182464 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587182466 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182473 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)nc2c1 ZINC000587182482 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)n3ncc(I)c3C)[nH]c21 ZINC000587182488 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)n3ncc(I)c3C)[nH]c21 ZINC000587182489 KK Annotated Clean CSc1sc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182493 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182500 KK Annotated Anodyne FC(F)(F)c1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587182502 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)c(O)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182503 KK Annotated Anodyne CSc1sc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182506 KK Annotated Anodyne CSc1sc(-c2nc3cccc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182507 KK Annotated Anodyne CSc1sc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182508 KK Annotated Anodyne CSc1sc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182510 KK Annotated Anodyne CSc1sc(-c2nc3cccc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182519 KK Annotated Anodyne CSc1sc(-c2nc3cccc(C(C)(C)C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182523 KK Annotated Anodyne Clc1ccc(I)cc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587182525 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182542 KK Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182543 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c21 ZINC000587182546 KK Annotated Clean CSc1sc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182554 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1Br ZINC000587182556 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3cc(I)ccc3F)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587182560 KK Annotated Bother CSc1sc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182565 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 ZINC000587182567 KK Annotated Reactive Cc1c(I)cnn1[C@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587182572 KK Annotated Anodyne CSc1sc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182574 KK Annotated Anodyne CCCCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1Br ZINC000587182577 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587182578 KK Annotated Anodyne CSc1sc(-c2nc3c(C)ccc(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182583 KK Annotated Anodyne CSc1sc(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182593 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182610 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(I)ccc3Cl)nc1-2 ZINC000587182617 KK Annotated Anodyne CSc1sc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182623 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(C)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182641 KK Annotated Anodyne CSc1sc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182642 KK Annotated Bother CSc1sc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182643 KK Annotated Anodyne CCc1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587182654 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182660 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(I)ccc4F)[nH]c3cc21 ZINC000587182661 KK Annotated Anodyne Clc1cc(I)cc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 ZINC000587182668 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587182674 KK Annotated Anodyne Clc1cc(I)cc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587182678 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182685 KK Annotated Anodyne Clc1cc(I)cc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 ZINC000587182704 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587182716 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2cc1Br ZINC000587182717 KK Annotated Mild CSc1sc(-c2nc3ccc(F)c(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182723 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182725 KK Annotated Anodyne CSc1sc(-c2nc3cnc4ccccc4c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182729 KK Annotated Anodyne CSc1sc(-c2nc3ccc(C(C)=O)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182732 KK Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182733 KK Annotated Bother CSc1sc(-c2nc3cc(C)cc(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182734 KK Annotated Anodyne CSc1sc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182737 KK Annotated Anodyne CSc1sc(-c2nc3cc(C)cc(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182747 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182749 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182753 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182755 KK Annotated Anodyne CSc1sc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182767 KK Annotated Anodyne CSc1sc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182770 KK Annotated Anodyne CSc1sc(-c2nc3cc(C)c(C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182772 KK Annotated Anodyne CSc1sc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(I)c1S(=O)(=O)C(C)C ZINC000587182773 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(I)ccc5Cl)[nH]c4c3)o2)cc1 ZINC000587182774 KK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587182783 KK Annotated Anodyne CSc1sc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182784 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587182786 KK Annotated Anodyne CSc1sc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182795 KK Annotated Bother CSc1sc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182817 KK Annotated Anodyne CSc1sc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182818 KK Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182822 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587182828 KK Annotated Bother Clc1ccc(I)cc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587182829 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)c(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182831 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4sc(SC)c(S(=O)(=O)C(C)C)c4I)[nH]c3cc21 ZINC000587182844 KK Annotated Clean CSc1sc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182851 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587182860 KK Annotated Mild CSc1sc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182862 KK Annotated Bother CSc1sc(-c2nc3cc4ccccc4cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182874 KK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587182880 KK Annotated Anodyne CSc1sc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182885 KK Annotated Anodyne CSc1sc(-c2nc3ccc(I)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182886 KK Annotated Anodyne CSc1sc(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182889 KK Annotated Bother CSc1sc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182891 KK Annotated Anodyne CSc1sc(-c2nc3ccc(C)c(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182934 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182940 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182946 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587182948 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 ZINC000587182953 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182960 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 ZINC000587182971 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1Br ZINC000587183001 KK Annotated Anodyne Brc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587183039 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587183041 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183043 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c1 ZINC000587183044 KK Annotated Anodyne CSc1sc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183049 KK Annotated Reactive Brc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587183050 KK Annotated Anodyne CSc1sc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183061 KK Annotated Bother CSc1sc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183067 KK Annotated Anodyne Cc1c(I)cnn1[C@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587183069 KK Annotated Anodyne Cc1c(I)cnn1[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587183073 KK Annotated Anodyne CSc1sc(-c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183079 KK Annotated Anodyne CSc1sc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183085 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183091 KK Annotated Anodyne CSc1sc(-c2nc3cc(C)c(Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183097 KK Annotated Anodyne CSc1sc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183106 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587183110 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587183114 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183137 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183155 KK Annotated Anodyne CSc1sc(-c2nc3cc(C#N)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183159 KK Annotated Mild Fc1ccc(I)cc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587183167 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587183186 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587183189 KK Annotated Anodyne CSc1sc(-c2nc3cc(C#N)cc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183193 KK Annotated Mild CSc1sc(-c2nc3cc(C)c(F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183205 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587183209 KK Annotated Anodyne Clc1ccc(I)cc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587183211 KK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587183217 KK Annotated Reactive CSc1sc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183219 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4sc(SC)c(S(=O)(=O)C(C)C)c4I)[nH]c3c2)cc1 ZINC000587183227 KK Annotated Anodyne CSc1sc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183246 KK Annotated Anodyne Fc1ccc(I)cc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587183249 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183270 KK Annotated Anodyne Clc1cc(I)cc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 ZINC000587183286 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(I)ccc3F)[nH]c21 ZINC000587183287 KK Annotated Clean CSc1sc(-c2nc3ccc(F)c(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183306 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Cl)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183310 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183318 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587183340 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587183341 KK Annotated Reactive COC(=O)c1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2c(F)c1Nc1ccccc1 ZINC000587183351 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183379 KK Annotated Anodyne CSc1sc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183380 KK Annotated Anodyne CSc1sc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(I)c1S(=O)(=O)C(C)C ZINC000587183381 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(Cl)cc(I)c4)[nH]c3cc21 ZINC000587183392 KK Annotated Anodyne Oc1nc(O)c(I)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 ZINC000587183458 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H](C)n5ncc(I)c5C)[nH]c4c3)o2)cc1 ZINC000587183464 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)n5ncc(I)c5C)[nH]c4c3)o2)cc1 ZINC000587183465 KK Annotated Anodyne CCCCOc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1Br ZINC000587183487 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Br)c(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183489 KK Annotated Anodyne COc1cc2nc(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)[nH]c2cc1C ZINC000587183491 KK Annotated Anodyne CSc1sc(-c2nc3ccc4ncccc4c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183495 KK Annotated Anodyne CSc1sc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183498 KK Annotated Anodyne CSc1sc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183500 KK Annotated Mild CSc1sc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183503 KK Annotated Anodyne CSc1sc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183509 KK Annotated Bother CSc1sc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183513 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183514 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(I)ccc4Cl)[nH]c3cc21 ZINC000587183522 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccc(I)cc4)[nH]c3cc21 ZINC000587183523 KK Annotated Clean CSc1sc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183525 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4ccc(I)cc4)[nH]c3cc21 ZINC000587183527 KK Annotated Clean CSc1sc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183535 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587183539 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183540 KK Annotated Anodyne CSc1sc(-c2nc3c(C)c(Br)cnc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183541 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587183542 KK Annotated Anodyne CSc1sc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183543 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587183544 KK Annotated Reactive N[C@@H](Cc1ccc(I)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587183545 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cccc(I)c4)[nH]c3cc21 ZINC000587183549 KK Annotated Clean CC(C)COc1cc2nc(-c3cc(I)ccc3Cl)[nH]c2cc1Br ZINC000587183550 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cccc(I)c4)[nH]c3cc21 ZINC000587183554 KK Annotated Clean CSc1sc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183558 KK Annotated Anodyne CSc1sc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183562 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3sc(SC)c(S(=O)(=O)C(C)C)c3I)nc2c1 ZINC000587183565 KK Annotated Anodyne CSc1sc(-c2nc3cc(C)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183570 KK Annotated Anodyne CSc1sc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183572 KK Annotated Anodyne CSc1sc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183574 KK Annotated Anodyne CSc1sc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183577 KK Annotated Anodyne CSc1sc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(I)c1S(=O)(=O)C(C)C ZINC000587183579 KK Annotated Clean N[C@H](Cc1ccc(I)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587183581 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587183582 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C\c3cccc(I)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587183587 KK Annotated Anodyne Clc1ccc(I)cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587183588 KK Annotated Anodyne COC(=O)c1cc2nc(/C=C/c3cccc(I)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587183591 KK Annotated Anodyne CSc1sc(-c2nc3cc(C)c(Br)cc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183595 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C/c5cccc(I)c5)[nH]c4c3)o2)cc1 ZINC000587183603 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(/C=C\c5cccc(I)c5)[nH]c4c3)o2)cc1 ZINC000587183604 KK Annotated Anodyne CSc1sc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183605 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4sc(SC)c(S(=O)(=O)C(C)C)c4I)[nH]c3c2)cc1 ZINC000587183616 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587183618 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(I)ccc3Cl)[nH]c21 ZINC000587183620 KK Annotated Clean CSc1sc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(I)c1S(=O)(=O)C(C)C ZINC000587183623 KK Annotated Anodyne CSc1sc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183628 KK Annotated Anodyne CSc1sc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183629 KK Annotated Anodyne CSc1sc(-c2nc3cc(F)cc(F)c3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183631 KK Annotated Anodyne Brc1cnc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183632 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3cc(I)ccc3Cl)[nH]c12 ZINC000587183633 KK Annotated Anodyne CSc1sc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(I)c1S(=O)(=O)C(C)C ZINC000587183635 KK Annotated Anodyne Brc1cnc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183636 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3cccc(I)c3)[nH]c21 ZINC000587183649 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3cccc(I)c3)[nH]c21 ZINC000587183650 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4cccc(I)c4)[nH]c3cc21 ZINC000587183663 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4cccc(I)c4)[nH]c3cc21 ZINC000587183664 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587183689 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587183690 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587183729 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587183730 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587183740 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587183741 KK Annotated Bother CC(C)CCOc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587183815 KK Annotated Anodyne CC(C)CCOc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587183816 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C/c4cccc(I)c4)[nH]c3c2)cc1 ZINC000587183828 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(/C=C\c4cccc(I)c4)[nH]c3c2)cc1 ZINC000587183829 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc12 ZINC000587183888 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc12 ZINC000587183889 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 ZINC000587183958 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 ZINC000587183959 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Br)ccnc4[nH]3)c2o1 ZINC000587184013 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2o1 ZINC000587184014 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2o1 ZINC000587184017 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2o1 ZINC000587184019 KK Annotated Anodyne CC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184026 KK Annotated Anodyne CC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184027 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2o1 ZINC000587184032 KK Annotated Anodyne CCCCCOc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587184036 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)c2o1 ZINC000587184043 KK Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)c2o1 ZINC000587184045 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587184052 KK Annotated Anodyne Cc1cc(Br)cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587184076 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2o1 ZINC000587184084 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)c2o1 ZINC000587184090 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)c2o1 ZINC000587184092 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2o1 ZINC000587184098 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)c2o1 ZINC000587184128 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Br)c(O)c4[nH]3)c2o1 ZINC000587184130 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184143 KK Annotated Anodyne CCCCOc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184147 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587184150 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587184151 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc12 ZINC000587184213 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C#N)cc(Cl)c4[nH]3)c2o1 ZINC000587184215 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(SC(F)(F)F)cc4[nH]3)c2o1 ZINC000587184221 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cncc(I)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587184222 KK Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)c2o1 ZINC000587184229 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Cl)ccnc4[nH]3)c2o1 ZINC000587184231 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Br)cc4[nH]3)c2o1 ZINC000587184240 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)c2o1 ZINC000587184258 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2o1 ZINC000587184262 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2o1 ZINC000587184263 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587184270 KK Annotated Anodyne Cc1nc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2cc1Br ZINC000587184283 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2o1 ZINC000587184287 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](N)Cc4ccc(I)cc4)[nH]c3cc21 ZINC000587184291 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184296 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184297 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccc(I)cc4)[nH]c3cc21 ZINC000587184298 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Cl)cc4[nH]3)c2o1 ZINC000587184308 KK Annotated Anodyne CC(C)COc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587184319 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587184321 KK Annotated Anodyne CCCCCOc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587184323 KK Annotated Anodyne CC[C@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)n1cc(I)c(C)n1 ZINC000587184341 KK Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)n1cc(I)c(C)n1 ZINC000587184347 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)cc(Cl)c4[nH]3)c2o1 ZINC000587184354 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2o1 ZINC000587184362 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587184367 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 ZINC000587184428 KK Annotated Anodyne O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 ZINC000587184429 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184432 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184434 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184442 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587184443 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)Cc3ccc(I)cc3)[nH]c21 ZINC000587184464 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3ccc(I)cc3)[nH]c21 ZINC000587184466 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(Cl)c(S(=O)(=O)Nc4ccc(I)cc4)c3)[nH]c21 ZINC000587184474 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)Nc4ccc(I)cc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587184484 KK Annotated Bother CC[C@@H](c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184578 KK Annotated Anodyne CC[C@H](c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184579 KK Annotated Anodyne CC[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184593 KK Annotated Anodyne CC[C@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184594 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587184603 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587184604 KK Annotated Anodyne CC[C@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184606 KK Annotated Anodyne CC[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587184607 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2o1 ZINC000587184618 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)c2o1 ZINC000587184621 KK Annotated Anodyne Cc1c(Cl)ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587184623 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(F)c(Br)c4[nH]3)c2o1 ZINC000587184624 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cc(Cl)c4[nH]3)c2o1 ZINC000587184626 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)c2o1 ZINC000587184630 KK Annotated Anodyne CC[C@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)n1cc(I)c(C)n1 ZINC000587184633 KK Annotated Clean CC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)n1cc(I)c(C)n1 ZINC000587184634 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2o1 ZINC000587184641 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2o1 ZINC000587184644 KK Annotated Anodyne CC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)n1cc(I)c(C)n1 ZINC000587184648 KK Annotated Clean CC[C@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)n1cc(I)c(C)n1 ZINC000587184649 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(Cl)c4[nH]3)c2o1 ZINC000587184651 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(OC(F)(F)F)c4[nH]3)c2o1 ZINC000587184652 KK Annotated Anodyne CCCCOc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587184655 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cncc(Br)c4[nH]3)c2o1 ZINC000587184656 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2o1 ZINC000587184657 KK Annotated Anodyne Cc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587184658 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)cnc4[nH]3)c2o1 ZINC000587184664 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)c2o1 ZINC000587184683 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Br)cnc(Cl)c4[nH]3)c2o1 ZINC000587184684 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3cccc(I)c3)nc1-2 ZINC000587184713 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3cccc(I)c3)nc1-2 ZINC000587184714 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cnc4[nH]3)c2o1 ZINC000587184718 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587184729 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587184731 KK Annotated Anodyne CCCOc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587184748 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587184760 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587184762 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587184763 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587184764 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)ncc4[nH]3)c2o1 ZINC000587184767 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2o1 ZINC000587184768 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587184780 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587184781 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1Br ZINC000587184798 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1Br ZINC000587184800 KK Annotated Mild CCCCCCCCOc1cc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2cc1Br ZINC000587184855 KK Annotated Mild CCCOc1cc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587184883 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587184884 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3nn(CC(=O)O)cc3I)nc21 ZINC000587184918 KK Annotated Clean CC[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184937 KK Annotated Bother CC[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587184940 KK Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2o1 ZINC000587184948 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc12 ZINC000587184950 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)c(Cl)cc4[nH]3)c2o1 ZINC000587184957 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Cl)nc4[nH]3)c2o1 ZINC000587184980 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)c2o1 ZINC000587184988 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccnc(Cl)c4[nH]3)c2o1 ZINC000587185011 KK Annotated Anodyne CC[C@@H](c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185015 KK Annotated Anodyne CC[C@H](c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185016 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cncc(I)c3)[nH]c2cc1Br ZINC000587185021 KK Annotated Mild CC[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185026 KK Annotated Anodyne CC[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185031 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Br)ccc(Br)c4[nH]3)c2o1 ZINC000587185042 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2o1 ZINC000587185076 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)c2o1 ZINC000587185077 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587185084 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587185105 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cncc(I)c4)[nH]c3cc21 ZINC000587185111 KK Annotated Clean CC(C)CCOc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587185145 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1Br ZINC000587185146 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587185149 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587185150 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2o1 ZINC000587185165 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(Br)c4[nH]3)c2o1 ZINC000587185166 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587185183 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587185184 KK Annotated Anodyne N[C@H](Cc1ccc(I)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587185219 KK Annotated Anodyne N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587185220 KK Annotated Anodyne Brc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2cc1OCc1ccccc1 ZINC000587185232 KK Annotated Anodyne Brc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2cc1OCc1ccccc1 ZINC000587185233 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 ZINC000587185244 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 ZINC000587185245 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587185246 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587185247 KK Annotated Anodyne CC[C@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185287 KK Annotated Anodyne CC[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185288 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccnc(Br)c4[nH]3)c2o1 ZINC000587185291 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)c(Br)cc4[nH]3)c2o1 ZINC000587185295 KK Annotated Anodyne CC[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185315 KK Annotated Anodyne CC[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185316 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Cl)c(Br)cnc4[nH]3)c2o1 ZINC000587185327 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)c2o1 ZINC000587185335 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2o1 ZINC000587185336 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587185345 KK Annotated Anodyne CC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185354 KK Annotated Reactive CC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185355 KK Annotated Reactive CC(C)CCOc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587185357 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(Br)cnc(Br)c4[nH]3)c2o1 ZINC000587185367 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)Nc5ccc(I)cc5)c4)[nH]c3cc21 ZINC000587185392 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cncc(I)c3)[nH]c21 ZINC000587185408 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cncc(I)c4)[nH]c3cc21 ZINC000587185411 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)nc(C#N)c4[nH]3)c2o1 ZINC000587185418 KK Annotated Mild CC[C@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185434 KK Annotated Anodyne CC[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185438 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)cc(Br)c4[nH]3)c2o1 ZINC000587185439 KK Annotated Anodyne COc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Cl ZINC000587185441 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2o1 ZINC000587185469 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)ncc4[nH]3)c2o1 ZINC000587185485 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)c(F)c(F)c4[nH]3)c2o1 ZINC000587185495 KK Annotated Anodyne CC[C@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185500 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2o1 ZINC000587185504 KK Annotated Anodyne CC[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185512 KK Annotated Anodyne CC[C@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185513 KK Annotated Anodyne CC[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185515 KK Annotated Anodyne CC[C@@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185629 KK Annotated Anodyne CC[C@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185633 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)c2o1 ZINC000587185634 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)c2o1 ZINC000587185635 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(Cl)c(S(=O)(=O)Nc5ccc(I)cc5)c4)[nH]c3cc21 ZINC000587185667 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 ZINC000587185684 KK Annotated Reactive Brc1cc2[nH]c(-c3cncc(I)c3)nc2cc1OCc1ccccc1 ZINC000587185700 KK Annotated Anodyne Cc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Cl ZINC000587185706 KK Annotated Anodyne Cc1cc(Cl)cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587185754 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1C ZINC000587185757 KK Annotated Anodyne CC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185768 KK Annotated Anodyne CC[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587185770 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587185777 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587185779 KK Annotated Mild CC(C)Oc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1Br ZINC000587185808 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Br)nc4[nH]3)c2o1 ZINC000587185813 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2o1 ZINC000587185824 KK Annotated Anodyne CC[C@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185846 KK Annotated Anodyne CC[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185848 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c3c2)cc1 ZINC000587185863 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587185883 KK Annotated Bother CCCCCOc1cc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587185910 KK Annotated Anodyne CCCCCOc1cc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2cc1Br ZINC000587185915 KK Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185927 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C#N)cc(Br)c4[nH]3)c2o1 ZINC000587185929 KK Annotated Mild CC[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 ZINC000587185930 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(I)cc4[nH]3)c2o1 ZINC000587185931 KK Annotated Anodyne COC(=O)c1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587185933 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4nn(CC(=O)O)cc4I)nc3cc21 ZINC000587185934 KK Annotated Clean FC(F)(F)c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587185953 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2o1 ZINC000587185960 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(F)cnc(Br)c4[nH]3)c2o1 ZINC000587185962 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(F)c4[nH]3)c2o1 ZINC000587185973 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587185994 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc12 ZINC000587185999 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc5ncccc5c4[nH]3)c2o1 ZINC000587186002 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186003 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5cn[nH]c5cc4[nH]3)c2o1 ZINC000587186007 KK Annotated Anodyne Cc1ccnc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc12 ZINC000587186009 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2o1 ZINC000587186010 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3nccnc3I)[nH]c2cc1Br ZINC000587186012 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5c(cc4[nH]3)OCO5)c2o1 ZINC000587186026 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)cc(Br)c4[nH]3)c2o1 ZINC000587186028 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cncc(Cl)c4[nH]3)c2o1 ZINC000587186034 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587186069 KK Annotated Anodyne Cc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186071 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(C(=O)O)c4[nH]3)c2o1 ZINC000587186073 KK Annotated Anodyne CC(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186078 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(I)cnc4[nH]3)c2o1 ZINC000587186081 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C#N)c(C#N)cc4[nH]3)c2o1 ZINC000587186089 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)c2o1 ZINC000587186095 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2o1 ZINC000587186099 KK Annotated Anodyne CC[C@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186108 KK Annotated Anodyne CC[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186109 KK Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186115 KK Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186116 KK Annotated Anodyne CC[C@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186173 KK Annotated Anodyne CC[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186174 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)c2o1 ZINC000587186259 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(O)cc4[nH]3)c2o1 ZINC000587186265 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(F)cc4[nH]3)c2o1 ZINC000587186295 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c3c2)cc1 ZINC000587186298 KK Annotated Anodyne Cc1cc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2cc1[N+](=O)[O-] ZINC000587186323 KK Annotated Bother CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5c(I)nc(Br)c6nc(C(C)(C)C)oc56)[nH]c4c3)cc2)CC1 ZINC000587186325 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(C#N)cc4[nH]3)c2o1 ZINC000587186327 KK Annotated Mild CC(C)CCOc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186329 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5c(cc4[nH]3)OCCO5)c2o1 ZINC000587186338 KK Annotated Anodyne FC(F)(F)c1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186344 KK Annotated Anodyne C=CCc1cccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186346 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2o1 ZINC000587186347 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2o1 ZINC000587186348 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)c(F)cc4[nH]3)c2o1 ZINC000587186349 KK Annotated Anodyne Cc1cc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c(C)n1 ZINC000587186355 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186358 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2o1 ZINC000587186359 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)c(F)cc4[nH]3)c2o1 ZINC000587186360 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2cc1OC ZINC000587186362 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1OC ZINC000587186363 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 ZINC000587186364 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c21 ZINC000587186368 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Cl)cc(F)c4[nH]3)c2o1 ZINC000587186372 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3nccnc3I)[nH]c21 ZINC000587186373 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)c(F)cc4[nH]3)c2o1 ZINC000587186379 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186384 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2n1 ZINC000587186385 KK Annotated Anodyne Cc1c(F)ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186390 KK Annotated Anodyne O=C(O)Cn1cc(I)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 ZINC000587186394 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4cc(I)c(C(=O)O)n4)[nH]c3cc21 ZINC000587186395 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2o1 ZINC000587186397 KK Annotated Anodyne CC[C@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186422 KK Annotated Anodyne CC[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186423 KK Annotated Anodyne O=C(O)c1nn(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1I ZINC000587186431 KK Annotated Reactive CC[C@@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186437 KK Annotated Anodyne CC[C@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186438 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3cc(I)c(C(=O)O)n3)[nH]c21 ZINC000587186462 KK Annotated Clean CC[C@@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186474 KK Annotated Anodyne CC[C@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)n1cc(I)c(C)n1 ZINC000587186475 KK Annotated Anodyne CC[C@@H](c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186488 KK Annotated Anodyne CC[C@H](c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)n1cc(I)c(C)n1 ZINC000587186489 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2cc1Br ZINC000587186613 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(Br)cc(F)c4[nH]3)c2o1 ZINC000587186619 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(OCc5ccccc5)c4[nH]3)c2o1 ZINC000587186627 KK Annotated Anodyne COc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1OC ZINC000587186637 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c32)n1 ZINC000587186640 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(F)c(F)c4[nH]3)c2o1 ZINC000587186645 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c3cc21 ZINC000587186648 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2o1 ZINC000587186656 KK Annotated Reactive CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(F)cnc(Cl)c4[nH]3)c2o1 ZINC000587186657 KK Annotated Anodyne COc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1F ZINC000587186661 KK Annotated Anodyne Brc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186664 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4nccnc4I)[nH]c3cc21 ZINC000587186673 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186681 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2o1 ZINC000587186689 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587186691 KK Annotated Anodyne Cc1cc(C)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587186702 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c3c2)NNC(=O)C1 ZINC000587186709 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Sc5ccccc5)cc4[nH]3)c2o1 ZINC000587186717 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186720 KK Annotated Anodyne CSc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186728 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(C(C)(C)C)c4[nH]3)c2o1 ZINC000587186730 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)cc(F)c4[nH]3)c2o1 ZINC000587186731 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2o1 ZINC000587186732 KK Annotated Anodyne Cc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2n1 ZINC000587186733 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2o1 ZINC000587186738 KK Annotated Anodyne CC(C)(C)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186740 KK Annotated Anodyne Cc1cncc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186742 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Br)c(F)c4[nH]3)c2o1 ZINC000587186745 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587186747 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c(I)cnc(Cl)c4[nH]3)c2o1 ZINC000587186752 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2o1 ZINC000587186755 KK Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)c2o1 ZINC000587186760 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)c2o1 ZINC000587186762 KK Annotated Bother CCc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186773 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(C(=O)O)cc4[nH]3)c2o1 ZINC000587186781 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5ccccc5cc4[nH]3)c2o1 ZINC000587186782 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(C#N)c4[nH]3)c2o1 ZINC000587186783 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c2o1 ZINC000587186785 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186788 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc5c(c4[nH]3)CCCC5)c2o1 ZINC000587186789 KK Annotated Anodyne Cc1cccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186791 KK Annotated Anodyne Cc1nccc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc12 ZINC000587186792 KK Annotated Anodyne CC(C)Oc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186797 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)c2o1 ZINC000587186798 KK Annotated Bother Brc1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1OCc1ccccc1 ZINC000587186801 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186802 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2o1 ZINC000587186804 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)c2o1 ZINC000587186814 KK Annotated Bother CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(O)c4[nH]3)c2o1 ZINC000587186815 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2o1 ZINC000587186824 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc([N+](=O)[O-])c4[nH]3)c2o1 ZINC000587186826 KK Annotated Bother Cc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1C ZINC000587186830 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186834 KK Annotated Mild CCCCOc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186836 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2o1 ZINC000587186847 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4nccnc4I)[nH]c3cc21 ZINC000587186850 KK Annotated Clean CN(C)CCOc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186853 KK Annotated Anodyne COc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1C ZINC000587186855 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587186856 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)c2o1 ZINC000587186866 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2o1 ZINC000587186868 KK Annotated Reactive Cc1cnc2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587186869 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)c2o1 ZINC000587186880 KK Annotated Anodyne Cc1cc(F)c2[nH]c(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)nc2c1 ZINC000587186885 KK Annotated Anodyne Cc1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1C ZINC000587186887 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cccc(I)c4[nH]3)c2o1 ZINC000587186889 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5c(I)nc(Br)c6nc(C(C)(C)C)oc56)[nH]c4c3)o2)cc1 ZINC000587186891 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cnc5ccccc5c4[nH]3)c2o1 ZINC000587186896 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 ZINC000587186897 KK Annotated Reactive CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)c2o1 ZINC000587186902 KK Annotated Anodyne Cc1cc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2cc1F ZINC000587186903 KK Annotated Anodyne COc1cccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c12 ZINC000587186906 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186909 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(I)nc(Br)c5nc(C(C)(C)C)oc45)[nH]c3cc21 ZINC000587186912 KK Annotated Clean CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c2o1 ZINC000587186915 KK Annotated Bother CN(C)C(=O)c1ccc2nc(-c3c(I)nc(Br)c4nc(C(C)(C)C)oc34)[nH]c2c1 ZINC000587186918 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc([C@H](C)C#N)c4)[nH]c3cc21 ZINC000587186969 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc([C@@H](C)C#N)c4)[nH]c3cc21 ZINC000587186970 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3cc21 ZINC000587186999 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3cc21 ZINC000587187002 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(O)c(C#N)c4)[nH]c3cc21 ZINC000587187067 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4ncc(I)n4c3)[nH]c21 ZINC000587187076 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(O)c(C#N)c3)[nH]c21 ZINC000587187148 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(O)c(C#N)c4)[nH]c3cc21 ZINC000587187159 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C)c(C#N)c3)[nH]c21 ZINC000587187168 KK Annotated Mild Cc1ccc(/C=C(\C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587187321 KK Annotated Reactive Cc1ccc(/C=C(/C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587187322 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3cc21 ZINC000587187413 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3cc21 ZINC000587187414 KK Annotated Reactive FC(F)(F)c1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587187570 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587187611 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccccc4)[nH]c3cc21 ZINC000587187827 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccccc4)[nH]c3cc21 ZINC000587187828 KK Annotated Reactive FC(F)(F)Oc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1Br ZINC000587187847 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 ZINC000587187912 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C)c(C#N)c4)[nH]c3cc21 ZINC000587187973 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C/c3ccccc3)[nH]c21 ZINC000587188001 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C\c3ccccc3)[nH]c21 ZINC000587188003 KK Annotated Reactive FC(F)(F)Oc1cc(Br)cc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 ZINC000587188202 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc([C@@H](C)C#N)c4)[nH]c3cc21 ZINC000587188280 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc([C@H](C)C#N)c4)[nH]c3cc21 ZINC000587188281 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc([C@H](C)C#N)c3)[nH]c21 ZINC000587188349 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc([C@@H](C)C#N)c3)[nH]c21 ZINC000587188350 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5ncc(I)n5c4)[nH]c3cc21 ZINC000587188377 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5ncc(I)n5c4)[nH]c3cc21 ZINC000587188492 KK Annotated Clean C[C@@H](C#N)c1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587188502 KK Annotated Mild C[C@H](C#N)c1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587188505 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C)c(C#N)c4)[nH]c3cc21 ZINC000587188595 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587188729 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 ZINC000587188757 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c21 ZINC000587188758 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c21 ZINC000587188759 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccccc4)[nH]c3cc21 ZINC000587188844 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccccc4)[nH]c3cc21 ZINC000587188848 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc6ncc(I)n6c5)[nH]c4c3)o2)cc1 ZINC000587188886 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587188931 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189233 KK Annotated Reactive COC(=O)c1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587189239 KK Annotated Reactive Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587189241 KK Annotated Reactive COc1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587189242 KK Annotated Reactive CCOC(=O)Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587189245 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189247 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(CCO)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189254 KK Annotated Reactive Cc1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587189257 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189261 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(C)(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189273 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189281 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189286 KK Annotated Reactive COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1C ZINC000587189290 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189292 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189295 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189337 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=N)N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189342 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](C)N(C)C)[nH]c3cc21 ZINC000587189368 KK Annotated Clean C#CCN(Cc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189373 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](C)N(C)C)[nH]c3cc21 ZINC000587189376 KK Annotated Clean Cc1cnc(Cl)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 ZINC000587189391 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189399 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)c(C#N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189414 KK Annotated Reactive COc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587189440 KK Annotated Reactive COc1nccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587189442 KK Annotated Reactive Cc1cc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2cc1[N+](=O)[O-] ZINC000587189445 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189451 KK Annotated Reactive CCCCCCCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587189455 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189465 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189470 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(C#N)cc4)[nH]c3cc21 ZINC000587189473 KK Annotated Mild C=C(CN(C)C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587189478 KK Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587189491 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587189494 KK Annotated Anodyne C#CCN(Cc1nc2ccc(Br)c(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189496 KK Annotated Mild COC(=O)c1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587189509 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(O)nc(S)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189514 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189549 KK Annotated Reactive C[C@H](Oc1ccc(C#N)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587189553 KK Annotated Mild C[C@@H](Oc1ccc(C#N)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587189561 KK Annotated Mild COC(=O)c1ccnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 ZINC000587189567 KK Annotated Reactive COC(=O)c1cc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2cc1OC ZINC000587189570 KK Annotated Reactive Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2n1 ZINC000587189583 KK Annotated Reactive COc1cncc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587189593 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587189611 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587189613 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189616 KK Annotated Reactive Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1C ZINC000587189617 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(CN=O)cc3)nc21 ZINC000587189622 KK Annotated Clean C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)c(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189630 KK Annotated Reactive C#CCN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189637 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189650 KK Annotated Reactive N#Cc1ccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587189658 KK Annotated Mild C#CCN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189668 KK Annotated Mild C#CCN(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189672 KK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189674 KK Annotated Mild CSc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587189675 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(C=NOCc4ccccc4)nc3cc21 ZINC000587189686 KK Annotated Mild C#CCN(Cc1nc2cc(Br)cc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189696 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189705 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189714 KK Annotated Reactive C#CCN(Cc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189718 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587189721 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587189722 KK Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189723 KK Annotated Mild C#CCN(Cc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189724 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587189740 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587189741 KK Annotated Clean CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587189742 KK Annotated Bother CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587189743 KK Annotated Bother C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189763 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189764 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3cc21 ZINC000587189783 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189810 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189811 KK Annotated Reactive C#CCN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189826 KK Annotated Mild C#CCN(Cc1nc2cc(Br)c(C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189871 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189877 KK Annotated Reactive CCS(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587189879 KK Annotated Reactive CCCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587189880 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189882 KK Annotated Reactive C#CCN(Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587189888 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189913 KK Annotated Reactive COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1OC ZINC000587189922 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189933 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)nc(C#N)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189938 KK Annotated Reactive CCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587189943 KK Annotated Reactive COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587189946 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189962 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587189980 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190002 KK Annotated Reactive Cc1cc(F)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587190009 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(C#N)cc4)[nH]c3cc21 ZINC000587190035 KK Annotated Mild COC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2n1 ZINC000587190038 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190047 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(C#N)cc4)[nH]c3cc21 ZINC000587190051 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190063 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190067 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CCC[C@H]5[C@@H]5CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O5)[nH]c4c3)o2)cc1 ZINC000587190077 KK Annotated Reactive C#CCN(Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190079 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190122 KK Annotated Reactive Cc1c(Br)ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587190123 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnccc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190125 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(=O)O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190127 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190142 KK Annotated Reactive CC(C)Oc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587190148 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190149 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190160 KK Annotated Reactive C#CCN(Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190162 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(I)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190164 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190165 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190166 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190168 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190169 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)nc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190171 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3nc(Br)c[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190174 KK Annotated Reactive C#CCN(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190175 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4ccccc4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190177 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190181 KK Annotated Reactive C#CCN(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190183 KK Annotated Mild COC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587190201 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(Cl)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190204 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(I)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190211 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(N)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190217 KK Annotated Reactive Cc1cc(Br)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587190219 KK Annotated Reactive C#CCN(Cc1nc2cc(OCCC)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190222 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C#N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190224 KK Annotated Reactive COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1F ZINC000587190225 KK Annotated Reactive Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587190226 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(C=NOCc4ccccc4)nc3cc21 ZINC000587190231 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587190236 KK Annotated Reactive C#CCN(Cc1nc2ccc(F)c(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190273 KK Annotated Mild C#CCN(Cc1nc2cccc(I)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190275 KK Annotated Mild C#CCN(Cc1nc2cc(C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190286 KK Annotated Mild C#CCN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190317 KK Annotated Reactive O=C(O)c1cc2nc(C=NOCc3ccccc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587190319 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587190326 KK Annotated Reactive C=C(CN(C)C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587190333 KK Annotated Mild COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cn1 ZINC000587190335 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190338 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190340 KK Annotated Reactive C#CCN(Cc1nc2cc(OCCCCC)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190343 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccccc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190349 KK Annotated Reactive Cc1cc(C)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587190356 KK Annotated Reactive Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1C ZINC000587190362 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190366 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190367 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(C#N)c4)[nH]c3cc21 ZINC000587190371 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190373 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Cl)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190375 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3nc(C#N)c(C#N)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190379 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCCO4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190407 KK Annotated Reactive C#CCN(Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190417 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190423 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(S)nc(S)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190434 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@H](c5ccccc5)N(C)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587190451 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(N)=O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190452 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190456 KK Annotated Reactive COc1ccc(-c2nnc(-c3ccc4nc([C@@H](c5ccccc5)N(C)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587190457 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190460 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(C#N)c4)[nH]c3cc21 ZINC000587190465 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(I)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190514 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190519 KK Annotated Reactive COC(=O)c1cc(Br)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587190538 KK Annotated Reactive C#CCN(Cc1nc2cc(OCCCC)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190552 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190559 KK Annotated Reactive C#CCN(Cc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190563 KK Annotated Mild C#CCN(Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190568 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)ccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190569 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190572 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c21 ZINC000587190580 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(C)(C)C)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190590 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190599 KK Annotated Reactive C#CCN(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190629 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(C#N)cc4)[nH]c3cc21 ZINC000587190636 KK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190640 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190646 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587190654 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190656 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587190660 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587190671 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 ZINC000587190672 KK Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587190675 KK Annotated Anodyne C#CCN(Cc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190677 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190680 KK Annotated Reactive Cc1nc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2cc1Br ZINC000587190688 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587190691 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190694 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190695 KK Annotated Reactive Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1F ZINC000587190696 KK Annotated Reactive Cc1c(Cl)ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587190701 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190703 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(F)c(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190704 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc4c(c3[nH]2)CCCC4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190710 KK Annotated Reactive Cc1nccc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 ZINC000587190711 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190715 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190718 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)ccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190723 KK Annotated Reactive COC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1OC ZINC000587190726 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ncc[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190731 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190736 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587190742 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(S(N)(=O)=O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190771 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190778 KK Annotated Reactive C#CCN(Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190781 KK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190786 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190792 KK Annotated Reactive C#CCN(Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190795 KK Annotated Mild C#CCN(Cc1nc2cc(Br)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190799 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(O)ncnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190806 KK Annotated Reactive Cc1ccnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 ZINC000587190814 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190815 KK Annotated Reactive CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587190828 KK Annotated Reactive C#CCN(Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190829 KK Annotated Mild CC1=C(c2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)NNC(=O)C1 ZINC000587190836 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(N)ccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190843 KK Annotated Reactive C#CCN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190863 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190865 KK Annotated Reactive C#CCN(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190866 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)cc1 ZINC000587190882 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587190887 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190890 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587190896 KK Annotated Reactive C#CCN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190901 KK Annotated Mild C#CCN(Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190914 KK Annotated Mild C#CCN(Cc1nc2cc(C)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190934 KK Annotated Mild C#CCN(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190962 KK Annotated Mild C#CCN(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587190982 KK Annotated Mild CC(C)COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587191054 KK Annotated Reactive CCOC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587191056 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191069 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191079 KK Annotated Reactive Cc1ccc(C)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 ZINC000587191099 KK Annotated Reactive Cc1cnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587191102 KK Annotated Reactive COc1cc(OC)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587191104 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191108 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](C)N(C)C)[nH]c21 ZINC000587191116 KK Annotated Clean C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191119 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](C)N(C)C)[nH]c21 ZINC000587191120 KK Annotated Clean C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc4ncccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191126 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191129 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191131 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191138 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191143 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191146 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnc4ccccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191150 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191155 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(N)c(N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191158 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191161 KK Annotated Reactive COc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2n1 ZINC000587191163 KK Annotated Reactive Cc1c(Br)cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1C ZINC000587191169 KK Annotated Reactive C#CCN(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191176 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191177 KK Annotated Reactive C#CCN(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191180 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191188 KK Annotated Reactive C#CCN(Cc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191191 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191192 KK Annotated Reactive C#CCN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191193 KK Annotated Mild C#CCN(Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191199 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191203 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191205 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CN=O)cc4)nc3cc21 ZINC000587191220 KK Annotated Clean C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191225 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191227 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191229 KK Annotated Reactive CC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587191240 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191243 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191244 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191257 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(N)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191258 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191270 KK Annotated Reactive Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Cl ZINC000587191272 KK Annotated Reactive Cc1cc(Br)cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587191276 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191278 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191282 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191285 KK Annotated Reactive C#CCN(Cc1nc2c(F)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191293 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191296 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C=NOCc3ccccc3)nc21 ZINC000587191298 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191299 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191303 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4cn[nH]c4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191307 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191322 KK Annotated Reactive CCCCCOc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587191331 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191335 KK Annotated Reactive CCCCCOc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587191342 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191353 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191357 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(OCCN(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191363 KK Annotated Reactive CC(C)CCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587191385 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191390 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191396 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(CO)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191397 KK Annotated Reactive C#CCN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191402 KK Annotated Mild C#CCN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191403 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587191412 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](c4ccccc4)N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587191415 KK Annotated Anodyne C#CCN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191418 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191429 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncc([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191432 KK Annotated Reactive C#CCN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191460 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Oc3ccc(C#N)cc3)[nH]c21 ZINC000587191473 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Oc3ccc(C#N)cc3)[nH]c21 ZINC000587191477 KK Annotated Mild C#CCN(Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191526 KK Annotated Mild C#CCN(Cc1nc2c(C)c(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191631 KK Annotated Mild C#CCN(Cc1nc2ccc(Br)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191633 KK Annotated Mild C#CCN(Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191646 KK Annotated Mild C#CCN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191658 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCO4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191661 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191663 KK Annotated Reactive C=CCc1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587191665 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191672 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191676 KK Annotated Reactive Cc1cc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c(C)n1 ZINC000587191683 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191687 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191688 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191691 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191694 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)ncnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191696 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191702 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(C)(C)C)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191704 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3nc(Cl)c[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191705 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191708 KK Annotated Reactive COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)cc1 ZINC000587191709 KK Annotated Reactive C#CCN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191712 KK Annotated Reactive COC(=O)c1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cn1 ZINC000587191719 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191722 KK Annotated Reactive CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 ZINC000587191736 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191737 KK Annotated Reactive C#CCN(Cc1nc2ccc(Br)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191738 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191739 KK Annotated Reactive C#CCN(Cc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191742 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191743 KK Annotated Reactive Cc1cc(Cl)cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587191744 KK Annotated Reactive Cc1c(F)ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587191745 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)c(Cl)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191755 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3cc21 ZINC000587191756 KK Annotated Reactive C#CCN(Cc1nc2cc(C#N)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191763 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191767 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(F)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191770 KK Annotated Reactive C#CCN(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191777 KK Annotated Mild CC(C)Oc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587191778 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191780 KK Annotated Reactive C#CCN(Cc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191783 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnc(Cl)[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191784 KK Annotated Reactive CCc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 ZINC000587191787 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191788 KK Annotated Reactive C#CCN(Cc1nc2ccc(I)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587191794 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191798 KK Annotated Reactive Cc1cncc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 ZINC000587191811 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191812 KK Annotated Reactive CCCCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br ZINC000587191813 KK Annotated Reactive Cc1ccc2c(ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c32)n1 ZINC000587191831 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191833 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C#N)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191834 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191838 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnnc(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191846 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191848 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587191867 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587191868 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc(C#N)cc4)[nH]c3cc21 ZINC000587191894 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)Oc4ccc(C#N)cc4)[nH]c3cc21 ZINC000587191897 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(N)=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191901 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191920 KK Annotated Reactive CC(C)CCOc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587191923 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191925 KK Annotated Reactive CC(C)CCOc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587191927 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191929 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191933 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191949 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(O)cc(C#N)c3)[nH]c21 ZINC000587191952 KK Annotated Mild CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587191953 KK Annotated Anodyne COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Cl ZINC000587191954 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587191955 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191958 KK Annotated Reactive C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191964 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(C#N)cc3)[nH]c21 ZINC000587191982 KK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587191985 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000587191986 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587191987 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c21 ZINC000587192176 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c21 ZINC000587192179 KK Annotated Clean CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587192484 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587192485 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587192568 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587192569 KK Annotated Mild CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587192635 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587192636 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587192640 KK Annotated Reactive CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587192641 KK Annotated Reactive COC(=O)c1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587192643 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587192644 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587192662 KK Annotated Anodyne CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587192663 KK Annotated Anodyne CCCCN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192725 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(N(C)CCO)cc3)nc21 ZINC000587192731 KK Annotated Clean CCCCN(Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192735 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192741 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192750 KK Annotated Anodyne CCCCN(Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192752 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(N(C)CCO)cc4)nc3cc21 ZINC000587192756 KK Annotated Clean CCCCN(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192759 KK Annotated Anodyne CCCCN(Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192768 KK Annotated Anodyne CCCCN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192771 KK Annotated Reactive CCCCN(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192775 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192777 KK Annotated Anodyne CCCCN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192838 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(CN(CCCC)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587192846 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192861 KK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192887 KK Annotated Anodyne CCCCN(Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192891 KK Annotated Anodyne CCCCN(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192895 KK Annotated Anodyne CCCCN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192911 KK Annotated Bother CCCCN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192921 KK Annotated Clean CCCCN(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192944 KK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192957 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(N(C)CCO)cc4)nc3cc21 ZINC000587192965 KK Annotated Clean CCCCN(Cc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192971 KK Annotated Clean CCCCN(Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192973 KK Annotated Anodyne CCCCN(Cc1nc2ccc(F)c(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192975 KK Annotated Anodyne CCCCN(Cc1nc2cc(I)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192982 KK Annotated Anodyne CCCCN(Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192993 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587192995 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587192996 KK Annotated Mild CCCCN(Cc1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193002 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193011 KK Annotated Anodyne CCCCN(Cc1nc2ccc(Br)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193014 KK Annotated Anodyne CCCCN(Cc1nc2ccc(OCCN(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193025 KK Annotated Anodyne CCCCN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193029 KK Annotated Bother CCCCN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193034 KK Annotated Reactive CCCCN(Cc1nc2cccc(I)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193052 KK Annotated Anodyne CCCCN(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193053 KK Annotated Anodyne CN(CCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193074 KK Annotated Anodyne CN(CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193091 KK Annotated Bother CN(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193096 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193100 KK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193121 KK Annotated Anodyne CCCCN(Cc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193139 KK Annotated Anodyne CCCCN(Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193150 KK Annotated Anodyne C#CCN(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193156 KK Annotated Mild CCCCN(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193167 KK Annotated Clean CC(C)COc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193211 KK Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193214 KK Annotated Mild CCCCN(Cc1nc2ccc(I)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193232 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193242 KK Annotated Anodyne CCCCN(Cc1nc2c(F)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193253 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193256 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193259 KK Annotated Anodyne CCCCN(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193285 KK Annotated Anodyne CCCOc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193286 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193291 KK Annotated Anodyne CN(CCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193305 KK Annotated Anodyne CCCCN(Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193306 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193325 KK Annotated Anodyne CCCCN(Cc1nc2ccc(CC(=O)OCC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193330 KK Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)NCCCC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193339 KK Annotated Mild C#CCN(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193345 KK Annotated Mild CCCCN(Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193347 KK Annotated Clean C#CCN(Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193352 KK Annotated Mild CCCCN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193354 KK Annotated Anodyne CCCCN(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193360 KK Annotated Anodyne C#CCN(Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193380 KK Annotated Mild O=C(O)CCN(CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)Cc1ccccc1 ZINC000587193382 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCN(CCC(=O)O)Cc4ccccc4)[nH]c3cc21 ZINC000587193394 KK Annotated Anodyne C#CCN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193415 KK Annotated Mild CN(CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193426 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193430 KK Annotated Anodyne CN(CCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193452 KK Annotated Anodyne CN(CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193461 KK Annotated Bother CN(CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193466 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587193468 KK Annotated Clean CCCCN(Cc1nc2nc(Br)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193470 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193473 KK Annotated Anodyne CN(CCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193478 KK Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587193489 KK Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587193490 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587193500 KK Annotated Anodyne CCCCN(Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193513 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587193524 KK Annotated Anodyne CN(CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193528 KK Annotated Anodyne CN(CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193556 KK Annotated Anodyne CN(CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193557 KK Annotated Anodyne CN(CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193564 KK Annotated Anodyne CN(CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193566 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587193571 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193577 KK Annotated Anodyne CCCCN(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193597 KK Annotated Bother CC(C)CCOc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193598 KK Annotated Anodyne CN(CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193607 KK Annotated Anodyne CN(CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193612 KK Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193615 KK Annotated Mild CN(CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193618 KK Annotated Anodyne CN(CCc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193633 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193645 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c21 ZINC000587193648 KK Annotated Clean CN(CCc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193675 KK Annotated Anodyne COC(=O)c1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587193678 KK Annotated Anodyne CCCCN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193683 KK Annotated Anodyne CCCCN(Cc1nc2ccc(Br)c(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193686 KK Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193688 KK Annotated Mild CCCCN(Cc1nc2cncc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193689 KK Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587193695 KK Annotated Anodyne C#CCN(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193696 KK Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587193700 KK Annotated Anodyne CN(CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193713 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193715 KK Annotated Anodyne CCCCN(Cc1nc2cc(C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193725 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193730 KK Annotated Anodyne CCCCN(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193732 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193738 KK Annotated Anodyne CCCCN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193739 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193744 KK Annotated Anodyne CCCCN(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193748 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587193749 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CN(CCCC)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193750 KK Annotated Mild CCCCN(Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193753 KK Annotated Anodyne CN(CCc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193758 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193759 KK Annotated Anodyne CN(CCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193772 KK Annotated Anodyne CN(CCc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193775 KK Annotated Anodyne CN(CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193782 KK Annotated Anodyne CN(CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193786 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCN(CCC(=O)O)Cc4ccccc4)[nH]c3cc21 ZINC000587193800 KK Annotated Clean C#CCN(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193802 KK Annotated Mild CN(CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193803 KK Annotated Anodyne C#CCN(Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193810 KK Annotated Mild C#CCN(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193818 KK Annotated Mild C#CCN(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193820 KK Annotated Mild CCCCN(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193826 KK Annotated Anodyne O=C(O)CCN(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Cc1ccccc1 ZINC000587193834 KK Annotated Reactive CCCCCCCCOc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193843 KK Annotated Mild CN(CCc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193855 KK Annotated Anodyne CCCCCOc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193873 KK Annotated Anodyne CN(CCc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193880 KK Annotated Anodyne CC(C)Oc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193887 KK Annotated Anodyne CN(CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193895 KK Annotated Anodyne CCCCN(Cc1nc2cc(OCCC)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193896 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193919 KK Annotated Anodyne CN(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193922 KK Annotated Reactive CCCCN(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193923 KK Annotated Anodyne CCCCN(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193927 KK Annotated Anodyne CCCCN(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193928 KK Annotated Anodyne CN(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193932 KK Annotated Anodyne CCCCN(Cc1nc2c(Br)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193957 KK Annotated Anodyne CN(CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193967 KK Annotated Anodyne CCCCOc1cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587193977 KK Annotated Anodyne C#CCN(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193978 KK Annotated Mild CN(CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587193982 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587193988 KK Annotated Anodyne CN(CCc1nc2cc(C#N)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194000 KK Annotated Mild Cc1c(Br)cc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587194010 KK Annotated Anodyne C#CCN(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194016 KK Annotated Mild CN(CCc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194020 KK Annotated Anodyne C#CCN(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194034 KK Annotated Mild C#CCN(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194041 KK Annotated Mild C#CCN(Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194042 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587194055 KK Annotated Clean CN(CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194056 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587194061 KK Annotated Clean CN(CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194063 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194073 KK Annotated Anodyne C#CCN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194085 KK Annotated Mild CCCCN(Cc1nc2cccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194088 KK Annotated Anodyne CCCCN(Cc1nc2cc(C)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194091 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CCN(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587194094 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194114 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)c(C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194115 KK Annotated Anodyne CN(CCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194143 KK Annotated Clean CCCCN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194151 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587194158 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587194159 KK Annotated Anodyne CCCCN(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194184 KK Annotated Anodyne CCCCN(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194216 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194248 KK Annotated Anodyne CCCCOc1cc2nc(CN(CCCC)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587194258 KK Annotated Anodyne CCCCN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194260 KK Annotated Anodyne CCCCN(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194267 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(N(C)C)cn4)nc3cc21 ZINC000587194334 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(N(C)C)cn4)nc3cc21 ZINC000587194358 KK Annotated Clean CN(CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194373 KK Annotated Clean CCCCN(Cc1nc2ccc(Br)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194374 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194378 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587194379 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194383 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194387 KK Annotated Anodyne CN(CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194389 KK Annotated Anodyne CCCCN(Cc1nc2c(C)c(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194403 KK Annotated Anodyne CCCCN(Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194411 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194415 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587194433 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587194434 KK Annotated Anodyne CN(CCc1nc2cccc(I)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194442 KK Annotated Anodyne CCCCN(Cc1nc2ccnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194451 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587194452 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587194455 KK Annotated Clean CCCCN(Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194464 KK Annotated Anodyne CCCCCOc1cc2nc(CN(CCCC)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587194473 KK Annotated Anodyne CCCCN(Cc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194496 KK Annotated Anodyne CCCCN(Cc1nc2cc(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194500 KK Annotated Anodyne CCCCN(Cc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194572 KK Annotated Anodyne CCCCN(Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194582 KK Annotated Anodyne CCCCN(Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194587 KK Annotated Anodyne CN(CCc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194596 KK Annotated Anodyne CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587194599 KK Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587194600 KK Annotated Anodyne CCCCN(Cc1nc2cc(C#N)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194603 KK Annotated Mild CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587194604 KK Annotated Reactive CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587194605 KK Annotated Reactive CN(CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194606 KK Annotated Anodyne CCCCN(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194613 KK Annotated Anodyne CCCCN(Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194616 KK Annotated Mild CN(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194630 KK Annotated Reactive CCCCN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194641 KK Annotated Bother CCCCN(Cc1nc2ccc(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194656 KK Annotated Anodyne CCCCN(Cc1nc2ccc(Br)c(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194658 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(N(C)C)nc3C)[nH]c21 ZINC000587194709 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc(N(C)C)cc4)[nH]c3cc21 ZINC000587194796 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccc(N(C)C)cc4)[nH]c3cc21 ZINC000587194799 KK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Br)c(OC(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587194802 KK Annotated Clean CCCCN(Cc1nc2cc(Br)cc(C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194844 KK Annotated Anodyne CN(CCc1nc2ccc(I)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194846 KK Annotated Anodyne CCCCN(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194853 KK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)cc1 ZINC000587194857 KK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(OC(F)(F)F)cc(Br)cc4[nH]3)cc2)cc1 ZINC000587194859 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587194860 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(CCN(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587194870 KK Annotated Anodyne CCCCN(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587194904 KK Annotated Anodyne CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587194933 KK Annotated Bother CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587194934 KK Annotated Bother CCCCCCCCOc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194946 KK Annotated Mild CCCCCCCCOc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587194952 KK Annotated Mild O=C(O)CN(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195028 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587195049 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(N=Nc5ccc(N(C)C)cc5)cc4)nc3cc21 ZINC000587195072 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5cc(C)ccc5N(C)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587195075 KK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)cc1 ZINC000587195198 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(Cc3ccccc3)c3ccccc3)[nH]c21 ZINC000587195253 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587195259 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccc(N(C)C)cc4)[nH]c3cc21 ZINC000587195338 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc(N(C)C)cc4)[nH]c3cc21 ZINC000587195339 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(N(C)C)nc4C)[nH]c3cc21 ZINC000587195435 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587195452 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587195464 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c21 ZINC000587195487 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587195549 KK Annotated Anodyne CCCCCOc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1Br ZINC000587195560 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(N(C)C)cn3)nc21 ZINC000587195578 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587195583 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587195602 KK Annotated Mild Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c1 ZINC000587195609 KK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 ZINC000587195617 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cccnc3N(C)C)nc21 ZINC000587195619 KK Annotated Clean O=C(O)CN(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195714 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(Cc4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587195731 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc21 ZINC000587195771 KK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)ncc(Br)c4[nH]3)cc2)cc1 ZINC000587195795 KK Annotated Clean CCCCCOc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587195818 KK Annotated Clean O=C(O)CN(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195884 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C)ccc4N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587195886 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587195925 KK Annotated Bother O=C(O)CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195954 KK Annotated Reactive O=C(O)CN(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587195966 KK Annotated Clean O=C(O)CN(Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196013 KK Annotated Clean O=C(O)CN(Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196031 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(N=Nc5ccc(N(C)C)cc5)cc4)nc3cc21 ZINC000587196034 KK Annotated Clean O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587196067 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CN(Cc3ccccc3)c3ccccc3)nc1-2 ZINC000587196071 KK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)ncc(I)c4[nH]3)cc2)cc1 ZINC000587196122 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587196188 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cccnc4N(C)C)nc3cc21 ZINC000587196209 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 ZINC000587196232 KK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c1 ZINC000587196236 KK Annotated Anodyne CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(OC(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587196279 KK Annotated Clean CC(C)CCOc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1Br ZINC000587196284 KK Annotated Clean CCCCCCCCOc1cc2nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c2cc1Br ZINC000587196318 KK Annotated Mild CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Br)c(OCc5ccccc5)cc4[nH]3)cc2)cc1 ZINC000587196390 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(CC(=O)O)Cc4cc5c(c(O)c4O)C(=O)c4ccccc4C5=O)[nH]c3cc21 ZINC000587196419 KK Annotated Clean Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587196442 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(C)ccc4N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587196459 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587196464 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cccnc4N(C)C)nc3cc21 ZINC000587196465 KK Annotated Anodyne C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587196638 KK Annotated Bother C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587196643 KK Annotated Bother O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 ZINC000587196692 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(CC(=O)O)Cc4cc5c(c(O)c4O)C(=O)c4ccccc4C5=O)[nH]c3cc21 ZINC000587196714 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c21 ZINC000587196754 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c21 ZINC000587196756 KK Annotated Clean O=C(O)CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O ZINC000587196798 KK Annotated Reactive CC(C)CCOc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br ZINC000587196856 KK Annotated Clean CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000587196871 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(CC(=O)O)Cc3cc4c(c(O)c3O)C(=O)c3ccccc3C4=O)[nH]c21 ZINC000587196907 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587196924 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC(=O)N(C)C)[nH]c3cc21 ZINC000587196935 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(CN(C[C@@H]5CCCO5)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587196940 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CN(C[C@H]5CCCO5)C(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587196941 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C[C@@H]1CCCO1 ZINC000587196968 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C[C@H]1CCCO1 ZINC000587196969 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587197025 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587197026 KK Annotated Clean CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197077 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197078 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C[C@H]1CCCO1 ZINC000587197089 KK Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197090 KK Annotated Reactive CC(C)(C)OC(=O)N(Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C[C@H]1CCCO1 ZINC000587197101 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C[C@@H]1CCCO1 ZINC000587197102 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587197184 KK Annotated Anodyne Cc1cc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587197200 KK Annotated Bother CC(C)[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197211 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587197272 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C[C@@H]1CCCO1 ZINC000587197279 KK Annotated Bother CC(C)(C)OC(=O)N(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C[C@H]1CCCO1 ZINC000587197282 KK Annotated Bother COC(=O)c1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587197284 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C(C)C)N(C)C(=O)OCc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587197288 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587197301 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587197302 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587197310 KK Annotated Anodyne CC(C)[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197321 KK Annotated Bother COC(=O)c1ccnc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587197323 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587197512 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587197534 KK Annotated Anodyne CC(C)[C@@H](c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197536 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587197545 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587197551 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587197567 KK Annotated Anodyne CC(C)[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197573 KK Annotated Anodyne CC1=C(c2ccc3nc(-c4ccccc4N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587197576 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccccc5N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587197583 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587197600 KK Annotated Anodyne CC(C)[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197602 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587197621 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c21 ZINC000587197683 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c21 ZINC000587197684 KK Annotated Clean CC(C)[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197724 KK Annotated Anodyne CC(C)[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587197741 KK Annotated Reactive CCCCCOc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587197753 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587197754 KK Annotated Clean CC(C)[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197771 KK Annotated Bother CC(C)[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197787 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587197806 KK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587197811 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587197824 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587197871 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC(=O)N(C)C)[nH]c21 ZINC000587197872 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587197880 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587197893 KK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1 ZINC000587197899 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587197903 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587197943 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 ZINC000587197961 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587197962 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587197963 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587197965 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587197972 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587197975 KK Annotated Anodyne Cc1c(Br)cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587197981 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587197985 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587197997 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587198001 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587198022 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587198025 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587198034 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587198042 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587198046 KK Annotated Anodyne COc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587198049 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587198052 KK Annotated Anodyne Cc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198058 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587198066 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587198068 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587198103 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587198109 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c21 ZINC000587198110 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587198111 KK Annotated Anodyne Cc1c(Br)ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198121 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587198127 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587198137 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587198142 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587198145 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 ZINC000587198152 KK Annotated Anodyne CC(C)[C@H](c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198158 KK Annotated Anodyne CC(C)[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198162 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587198172 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198175 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cncc(Br)c2[nH]1 ZINC000587198176 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587198178 KK Annotated Anodyne COc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587198179 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587198180 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587198181 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587198184 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587198185 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587198187 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587198196 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587198199 KK Annotated Anodyne Cc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587198202 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cncc(Cl)c2[nH]1 ZINC000587198209 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587198216 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587198218 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587198219 KK Annotated Anodyne COc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587198222 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587198224 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198226 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587198228 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587198232 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587198233 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587198241 KK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198242 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587198244 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587198247 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587198248 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587198253 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C(C)C)N(C)C)[nH]c21 ZINC000587198258 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587198261 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587198262 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587198263 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198267 KK Annotated Anodyne CC(C)[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C(=O)OC(C)(C)C ZINC000587198272 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c21 ZINC000587198275 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)ncc2[nH]1 ZINC000587198276 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587198280 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587198281 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587198309 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587198318 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587198321 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C(C)C)N(C)C(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587198335 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587198350 KK Annotated Anodyne Cc1ccc2c(ccc3nc(-c4ccccc4N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587198357 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccccc5N(C)C(=O)c5ccccc5N)[nH]c4c3)o2)cc1 ZINC000587198358 KK Annotated Anodyne CC(C)[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198359 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587198364 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(Br)c2[nH]1 ZINC000587198367 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587198382 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587198383 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587198387 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000587198390 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587198408 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c(F)c1Nc1ccccc1 ZINC000587198411 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587198415 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587198418 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587198420 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587198422 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587198423 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587198428 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587198433 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587198437 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587198443 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Br)ccnc2[nH]1 ZINC000587198448 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587198450 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccnc(Br)c2[nH]1 ZINC000587198451 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587198455 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587198468 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587198469 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587198475 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587198485 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587198499 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587198502 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587198504 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587198509 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198511 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587198513 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198516 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587198519 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587198525 KK Annotated Anodyne CC(C)[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C(=O)OCc1ccccc1 ZINC000587198529 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587198531 KK Annotated Mild CN(C)CCOc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198532 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587198535 KK Annotated Anodyne Cc1nc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587198536 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587198537 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587198539 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587198545 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587198551 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587198553 KK Annotated Anodyne Cc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587198554 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Cl)ccnc2[nH]1 ZINC000587198555 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587198558 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587198562 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198566 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198572 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c3cc21 ZINC000587198576 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587198592 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587198597 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587198599 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587198606 KK Annotated Clean CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587198617 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587198629 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587198635 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198641 KK Annotated Mild CCCCOc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198655 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587198657 KK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198659 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 ZINC000587198661 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cncc(Br)c2[nH]1 ZINC000587198662 KK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1 ZINC000587198670 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587198674 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587198683 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587198687 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587198691 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587198692 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587198695 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587198699 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587198700 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198701 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587198702 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587198703 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587198704 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587198707 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587198713 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587198718 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198726 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Cl)ncnc2[nH]1 ZINC000587198729 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587198730 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587198735 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(F)c2[nH]1 ZINC000587198736 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198740 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587198741 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587198744 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587198746 KK Annotated Anodyne CCCOc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198749 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587198750 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(Br)c2[nH]1 ZINC000587198751 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587198754 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587198756 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587198758 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587198759 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587198761 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587198763 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587198765 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587198767 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587198768 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587198771 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C(C)C)N(C)C(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587198777 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587198778 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C(C)C)N(C)C)[nH]c3cc21 ZINC000587198782 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587198786 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587198799 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587198801 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587198802 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587198803 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587198804 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4N(C)C(=O)c4ccccc4N)[nH]c3cc21 ZINC000587198807 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587198814 KK Annotated Anodyne CN(C)CCOc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198817 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587198818 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587198819 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587198825 KK Annotated Anodyne COC(=O)c1cc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587198827 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587198829 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587198835 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198841 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587198846 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587198850 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587198851 KK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1 ZINC000587198856 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587198857 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198858 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)ncc2[nH]1 ZINC000587198860 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587198861 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Br)nc2[nH]1 ZINC000587198864 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587198868 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587198873 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587198874 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587198876 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587198878 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587198879 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587198882 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587198891 KK Annotated Bother CC(C)Oc1ccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587198903 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587198905 KK Annotated Anodyne Cc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587198909 KK Annotated Anodyne Cc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587198912 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587198924 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587198929 KK Annotated Mild COc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587198939 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587198942 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587198944 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Br)ccnc2[nH]1 ZINC000587198952 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587198954 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587198956 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587198957 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587198959 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587198960 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587198963 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587198964 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(F)cnc2[nH]1 ZINC000587198970 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)cnc2[nH]1 ZINC000587198971 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587198973 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587198976 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587198979 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587198984 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587198987 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587198989 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587198992 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587198993 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587198995 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(F)cc2[nH]1 ZINC000587199000 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587199002 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587199003 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Cl)nc2[nH]1 ZINC000587199004 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587199006 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587199010 KK Annotated Bother CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587199011 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587199012 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587199013 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587199014 KK Annotated Anodyne Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587199015 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587199016 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587199017 KK Annotated Reactive Cc1cc(Br)cc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199025 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199031 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587199040 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587199048 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000587199053 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199059 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587199061 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587199064 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587199071 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199073 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1Br ZINC000587199077 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587199078 KK Annotated Anodyne CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587199079 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587199084 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(C)ccc4N(C)C(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587199088 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(Br)cnc2[nH]1 ZINC000587199095 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587199100 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c21 ZINC000587199101 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587199103 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587199104 KK Annotated Anodyne Cc1nc2[nH]c(-c3ccccc3N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587199108 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587199109 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587199110 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C(C)C)N(C)C(=O)OCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587199112 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199114 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587199123 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587199125 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587199131 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199133 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587199134 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199143 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C(C)C)N(C)C)[nH]c3cc21 ZINC000587199150 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587199158 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587199171 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(I)cnc2[nH]1 ZINC000587199172 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587199176 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587199177 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587199183 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587199184 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587199186 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587199189 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587199193 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccnc(Cl)c2[nH]1 ZINC000587199195 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199203 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199208 KK Annotated Mild CCCC[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199210 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199212 KK Annotated Anodyne CCC[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199214 KK Annotated Anodyne CCCC[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199215 KK Annotated Bother CCCC[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199216 KK Annotated Clean CCC[C@@H](c1nc2ccc(Br)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199218 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199223 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587199224 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Cl ZINC000587199229 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587199230 KK Annotated Anodyne CCCC[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199231 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)c(C)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199232 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199233 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199234 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199235 KK Annotated Reactive CCC[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199237 KK Annotated Anodyne CCC[C@@H](c1nc2ccnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199239 KK Annotated Anodyne CCCOc1cc2nc([C@H](CCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199240 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199241 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199242 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199244 KK Annotated Clean CCC[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199246 KK Annotated Bother CCC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199248 KK Annotated Clean CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587199250 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587199251 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Br)nc2[nH]1 ZINC000587199253 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587199255 KK Annotated Mild Cc1cc(Cl)cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199256 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199260 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199261 KK Annotated Anodyne CCC[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199262 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199263 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199269 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587199271 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199274 KK Annotated Anodyne CCC[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199276 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199277 KK Annotated Anodyne CCC[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199279 KK Annotated Bother CCCCOc1cc2nc([C@H](CCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199280 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199284 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587199292 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199293 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199294 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199295 KK Annotated Anodyne CCC[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199298 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199300 KK Annotated Anodyne CCCC[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199302 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587199303 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199306 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587199307 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc12 ZINC000587199310 KK Annotated Anodyne C[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199312 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199313 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587199315 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199316 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199318 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587199321 KK Annotated Clean CN1CCN(c2ccc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3c2)CC1 ZINC000587199322 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199325 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587199332 KK Annotated Mild CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587199334 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199338 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cncc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199339 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587199340 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199341 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587199342 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199344 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199345 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Br)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199346 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199348 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199351 KK Annotated Anodyne C[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199354 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587199357 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199358 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199360 KK Annotated Anodyne C[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199361 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199362 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199364 KK Annotated Mild C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199366 KK Annotated Anodyne Cc1cc(Cl)cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587199367 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587199368 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587199370 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cncc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199372 KK Annotated Anodyne C[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199375 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587199376 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587199380 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199381 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587199386 KK Annotated Anodyne Cc1c(Cl)ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587199387 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2nc(Br)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199391 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587199392 KK Annotated Anodyne C[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199393 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)nc(C#N)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199394 KK Annotated Mild COC(=O)c1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cn1 ZINC000587199395 KK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199396 KK Annotated Anodyne CC(C)CCOc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587199402 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199403 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199405 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199407 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587199410 KK Annotated Anodyne CCCC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199412 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199413 KK Annotated Clean CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587199415 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199417 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)OCC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199418 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Br)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199421 KK Annotated Anodyne CCC[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199423 KK Annotated Anodyne CCC[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199424 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199425 KK Annotated Anodyne CCC[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199429 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199432 KK Annotated Mild CCC[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199433 KK Annotated Anodyne CCC[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199434 KK Annotated Bother CCCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199435 KK Annotated Anodyne CCC[C@@H](c1nc2cccc(I)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199436 KK Annotated Anodyne CCC[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199437 KK Annotated Anodyne CCCC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199439 KK Annotated Clean CCC[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199441 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199442 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(I)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199443 KK Annotated Anodyne CCC[C@@H](c1nc2c(Br)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199447 KK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199448 KK Annotated Anodyne CCC[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199449 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2nc(Br)c[nH]c-2n1 ZINC000587199451 KK Annotated Anodyne CCCC[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199454 KK Annotated Bother CCCC[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199456 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587199457 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199458 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587199460 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cnc2[nH]1 ZINC000587199462 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199464 KK Annotated Anodyne CCCC[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199465 KK Annotated Anodyne CCC[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199467 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc12 ZINC000587199468 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199469 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199470 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587199472 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199474 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199479 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199481 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CCCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199484 KK Annotated Anodyne CCCC[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199486 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587199488 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587199489 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587199491 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199492 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587199493 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587199495 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199496 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199498 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199501 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199503 KK Annotated Anodyne CCCC[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199504 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587199508 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587199511 KK Annotated Bother COC(=O)c1cccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199512 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Cl)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199514 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1C ZINC000587199516 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199517 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587199518 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587199522 KK Annotated Reactive C[C@@H](c1ccccc1)N(Cc1nc2ccc(Br)c(O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199523 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587199524 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199525 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199526 KK Annotated Anodyne C[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199527 KK Annotated Anodyne COc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1OC ZINC000587199530 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C#N)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199531 KK Annotated Mild CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587199532 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587199535 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587199536 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587199537 KK Annotated Anodyne C[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199538 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199542 KK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199543 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(I)c2[nH]1 ZINC000587199544 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1OC ZINC000587199549 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199560 KK Annotated Anodyne Cc1nc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2cc1Br ZINC000587199561 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587199563 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587199564 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587199565 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199566 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587199568 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587199569 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199571 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199573 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587199577 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199580 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587199581 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587199582 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199591 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587199594 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587199595 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c21 ZINC000587199599 KK Annotated Clean CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587199601 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587199602 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199603 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199610 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Cl)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199611 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199613 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199614 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2n1 ZINC000587199615 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587199616 KK Annotated Mild C[C@@H](c1ccccc1)N(Cc1nc2cnc(Cl)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199617 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587199619 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587199620 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccnc(Br)c2[nH]1 ZINC000587199622 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587199623 KK Annotated Bother CCCC[C@@H](c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199624 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199627 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587199628 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587199632 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587199633 KK Annotated Anodyne CCCCCOc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587199634 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1C ZINC000587199637 KK Annotated Anodyne Cc1cc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587199639 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587199641 KK Annotated Bother COc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1F ZINC000587199643 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199645 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587199646 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587199647 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Cl ZINC000587199651 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587199655 KK Annotated Anodyne CCC[C@@H](c1nc2cncc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199656 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199657 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199658 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199660 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199662 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199663 KK Annotated Anodyne CCCC[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199664 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587199665 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199667 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(Br)c2[nH]1 ZINC000587199668 KK Annotated Anodyne CCC[C@@H](c1nc2cc(I)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199669 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199670 KK Annotated Mild CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587199671 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587199673 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199674 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199675 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199678 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199679 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199680 KK Annotated Bother Cc1cnc(Cl)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc12 ZINC000587199681 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587199685 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199687 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(CC(=O)OCC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199688 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587199689 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199690 KK Annotated Anodyne Cc1nc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2cc1Br ZINC000587199693 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587199695 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587199698 KK Annotated Bother CCC[C@@H](c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199700 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199701 KK Annotated Reactive CCCC[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199703 KK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199705 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587199706 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587199707 KK Annotated Bother C[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199708 KK Annotated Anodyne CSc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199712 KK Annotated Anodyne CCCCOc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199715 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587199716 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Cl)ncnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199719 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587199720 KK Annotated Clean CCCCNS(=O)(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199728 KK Annotated Anodyne Cc1cc(Br)cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587199730 KK Annotated Anodyne C[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199731 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587199732 KK Annotated Anodyne C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199733 KK Annotated Reactive C[C@@H](c1ccccc1)N(Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199734 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587199735 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199737 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(I)cc2[nH]1 ZINC000587199738 KK Annotated Anodyne CCCOc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199740 KK Annotated Anodyne C[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199741 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587199742 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587199743 KK Annotated Reactive Cc1c(Br)ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587199745 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(I)cnc2[nH]1 ZINC000587199747 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587199750 KK Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199752 KK Annotated Anodyne CCCCOc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587199756 KK Annotated Anodyne C[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199757 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc12 ZINC000587199762 KK Annotated Anodyne C[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199764 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2nc(Cl)c[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199765 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587199766 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587199768 KK Annotated Anodyne C[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199770 KK Annotated Anodyne C[C@@H](c1nc2cc(I)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199772 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587199774 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587199775 KK Annotated Bother C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199780 KK Annotated Reactive C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199782 KK Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199783 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199785 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199790 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587199792 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199794 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587199795 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199796 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2cc1OC ZINC000587199800 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199802 KK Annotated Anodyne C[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199803 KK Annotated Mild C[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199804 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199805 KK Annotated Anodyne CCC[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199806 KK Annotated Bother CCC[C@@H](c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199807 KK Annotated Anodyne CCC[C@@H](c1nc2c(C)c(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199809 KK Annotated Anodyne CCC[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199810 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199811 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199815 KK Annotated Anodyne CCCC[C@@H](c1nc2c(S)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199817 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199819 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199823 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199826 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199827 KK Annotated Anodyne CCC[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199829 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199830 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199832 KK Annotated Anodyne CCC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199833 KK Annotated Clean CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587199836 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199837 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199838 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199839 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199840 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587199841 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199842 KK Annotated Anodyne CCCC[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199844 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199845 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199847 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199848 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199850 KK Annotated Anodyne CCC[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199854 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587199855 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199859 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199860 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587199863 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587199864 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587199865 KK Annotated Bother CCCC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199866 KK Annotated Clean CCC[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199867 KK Annotated Anodyne CCC[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199868 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199869 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199870 KK Annotated Bother CCCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199871 KK Annotated Anodyne CCC[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199873 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199875 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587199878 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cncc(Br)c2[nH]1 ZINC000587199879 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)ncc2[nH]1 ZINC000587199880 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587199887 KK Annotated Anodyne CCC[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199888 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587199890 KK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199891 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199892 KK Annotated Anodyne CCCOc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199893 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c12 ZINC000587199896 KK Annotated Anodyne CCCCOc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199899 KK Annotated Anodyne Cc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199902 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587199903 KK Annotated Mild CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587199906 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587199911 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587199912 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587199916 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587199920 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587199921 KK Annotated Anodyne COc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Cl ZINC000587199923 KK Annotated Anodyne C[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199924 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587199926 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587199930 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199931 KK Annotated Anodyne C[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199932 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587199936 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587199941 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587199942 KK Annotated Anodyne C[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199943 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587199944 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587199948 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587199949 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587199950 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199952 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587199953 KK Annotated Anodyne C[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199954 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587199956 KK Annotated Anodyne CCC[C@@H](c1nc2cccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199958 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587199961 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587199962 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@H](Cc5ccc(OC(C)(C)C)cc5)N(C)C(=O)OCc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587199964 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199965 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(O)cc2[nH]1 ZINC000587199966 KK Annotated Anodyne CCCC[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199968 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199969 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587199972 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199974 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587199976 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199977 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587199978 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587199979 KK Annotated Anodyne CCC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199980 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587199981 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199983 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587199984 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587199985 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199986 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(CC(=O)OCC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199990 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587199992 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199993 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Cl)nc2[nH]1 ZINC000587199994 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199997 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587199998 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587199999 KK Annotated Anodyne CCCC[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200000 KK Annotated Anodyne C[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200001 KK Annotated Anodyne Cc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200003 KK Annotated Anodyne C[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200004 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587200006 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587200007 KK Annotated Mild COC(=O)c1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587200008 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc3nc(C)ccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200010 KK Annotated Anodyne CC(C)Oc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587200011 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587200012 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587200013 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587200016 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(F)c2[nH]1 ZINC000587200019 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587200020 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccnc(Cl)c2[nH]1 ZINC000587200023 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200026 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200027 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200028 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Cl)cc2[nH]1 ZINC000587200030 KK Annotated Anodyne CCCC[C@@H](c1nc2cccc(I)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200031 KK Annotated Anodyne CC(C)COc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587200032 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)cc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200033 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(N)ccnc2[nH]1 ZINC000587200034 KK Annotated Anodyne CCC[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200038 KK Annotated Bother CCCC[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200039 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587200040 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587200046 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200047 KK Annotated Reactive C[C@@H](c1ccccc1)N(Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200049 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587200050 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587200051 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200053 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ncc[nH]c-2n1 ZINC000587200056 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587200057 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587200062 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587200064 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587200067 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587200070 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587200071 KK Annotated Anodyne CCC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200075 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccccc2[nH]1 ZINC000587200076 KK Annotated Anodyne CCC[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200077 KK Annotated Bother Cc1cc(Cl)cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200084 KK Annotated Anodyne C[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200087 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200088 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200090 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587200093 KK Annotated Bother C[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200095 KK Annotated Anodyne Cc1cnc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200098 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200099 KK Annotated Anodyne CCC[C@@H](c1nc2ccc(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200102 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587200104 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587200105 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(O)ncnc2[nH]1 ZINC000587200106 KK Annotated Anodyne COc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587200110 KK Annotated Anodyne CCC[C@@H](c1nc2cc(Br)c(C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200111 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587200113 KK Annotated Mild CCCCCOc1cc2nc([C@H](CCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200114 KK Annotated Anodyne Cc1nc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587200116 KK Annotated Anodyne CCC[C@@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200120 KK Annotated Anodyne Cc1cccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200121 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200122 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587200123 KK Annotated Bother CCCC[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200124 KK Annotated Anodyne COc1cccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200125 KK Annotated Anodyne CCCC[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200126 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587200127 KK Annotated Anodyne CCC[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200129 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587200130 KK Annotated Bother CCC[C@@H](c1nc2nc(Br)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200131 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200132 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587200133 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587200137 KK Annotated Clean Cc1cc(Br)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587200139 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587200142 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587200143 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587200144 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200146 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587200147 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200148 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587200150 KK Annotated Bother CCC[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200151 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200153 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200154 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587200156 KK Annotated Anodyne Cc1ccnc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200157 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200158 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587200159 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587200160 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587200163 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200164 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587200166 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587200167 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200168 KK Annotated Mild CCCC[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200171 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587200172 KK Annotated Anodyne COc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587200173 KK Annotated Anodyne Cc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587200174 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200175 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587200176 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587200177 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587200178 KK Annotated Anodyne C=CCc1cccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200179 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cnc2[nH]1 ZINC000587200180 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200182 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587200183 KK Annotated Clean COc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587200184 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587200185 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200186 KK Annotated Anodyne CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H](CC(=O)NC(c5ccccc5)(c5ccccc5)c5ccccc5)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587200187 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200188 KK Annotated Bother CCCC[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200189 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200191 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc([N+](=O)[O-])cnc2[nH]1 ZINC000587200193 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cncc(Br)c2[nH]1 ZINC000587200194 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587200195 KK Annotated Anodyne COc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587200197 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200198 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200199 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200200 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cncnc2[nH]1 ZINC000587200201 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200202 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(I)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200203 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587200204 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(N)c(N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200205 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587200206 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Cl)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200207 KK Annotated Anodyne CCc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200209 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587200211 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200212 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C#N)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200213 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2c[nH]c(=N)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200214 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200215 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(S)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200216 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587200217 KK Annotated Anodyne CCCCOc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200218 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200219 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587200220 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200221 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587200222 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(CCO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200223 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200224 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200225 KK Annotated Anodyne COC(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2n1 ZINC000587200226 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587200227 KK Annotated Bother CCOC(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200228 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)[nH]c2c1 ZINC000587200229 KK Annotated Anodyne COc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2n1 ZINC000587200230 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200232 KK Annotated Anodyne Cc1c(F)ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587200234 KK Annotated Anodyne C[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200235 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200236 KK Annotated Anodyne CCCOc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1Br ZINC000587200237 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200238 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587200239 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(O)nc(S)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200240 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200241 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200244 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200245 KK Annotated Anodyne C[C@@H](c1nc2cccc(I)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200247 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200248 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200250 KK Annotated Anodyne COC(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1OC ZINC000587200253 KK Annotated Anodyne Cc1cnc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200256 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cncc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200257 KK Annotated Bother Cc1cc(Br)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587200258 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587200259 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200262 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(Br)ccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200264 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(C)(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200269 KK Annotated Anodyne C[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200272 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587200273 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587200274 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Br)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200275 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200278 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C#N)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200279 KK Annotated Mild C[C@@H](c1ccccc1)N(Cc1nc2cccc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200282 KK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200283 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587200285 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200286 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587200288 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(-n3cnnn3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200289 KK Annotated Anodyne C[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200291 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200292 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200295 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c32)n1 ZINC000587200296 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200297 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587200298 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200299 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587200301 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200304 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200308 KK Annotated Anodyne C[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200310 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200311 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587200312 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200318 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200319 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200320 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200324 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200328 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587200329 KK Annotated Mild C[C@@H](c1ccccc1)N(Cc1nc2c(O)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200331 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200333 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200336 KK Annotated Anodyne Cc1c(Br)cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1C ZINC000587200337 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200338 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587200339 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587200340 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200341 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587200343 KK Annotated Clean Cc1cc(F)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200344 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587200346 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200347 KK Annotated Bother CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587200348 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200349 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200351 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccc(OC(C)(C)C)cc4)N(C)C(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587200352 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(N)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200353 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587200354 KK Annotated Bother COC(=O)c1cc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2cc1OC ZINC000587200355 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200356 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200357 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c3cc21 ZINC000587200358 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200362 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200367 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587200368 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cnccc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200373 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cnc(C(F)(F)F)[nH]c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200375 KK Annotated Anodyne C[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200376 KK Annotated Anodyne Cc1cncc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200377 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200379 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200382 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587200383 KK Annotated Anodyne C[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200384 KK Annotated Anodyne CC(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200385 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](Cc3ccc(OC(C)(C)C)cc3)N(C)C(=O)OCc3ccccc3)nc2c1 ZINC000587200388 KK Annotated Anodyne COc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587200390 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200391 KK Annotated Anodyne CCc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200392 KK Annotated Anodyne CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587200393 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200395 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200396 KK Annotated Mild Cc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200397 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200398 KK Annotated Anodyne Cc1cc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587200399 KK Annotated Bother C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200400 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(N)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200401 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587200402 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cnc(Cl)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200403 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200404 KK Annotated Anodyne COc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587200406 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200407 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200408 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587200409 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cnnc(O)c2[nH]1 ZINC000587200410 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587200411 KK Annotated Bother CCCCCOc1cc2nc([C@H](CCCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200412 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587200413 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200414 KK Annotated Anodyne COc1cccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200415 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587200416 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)ncc2[nH]1 ZINC000587200417 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587200418 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587200419 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587200420 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587200421 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Cl)ncnc2[nH]1 ZINC000587200423 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Cl)ccnc2[nH]1 ZINC000587200424 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587200425 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CCCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200426 KK Annotated Anodyne CCCC[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200427 KK Annotated Anodyne CSc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200428 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200430 KK Annotated Anodyne CCCC[C@@H](c1nc2cncc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200431 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587200432 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587200433 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587200434 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200435 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200436 KK Annotated Anodyne COc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200437 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587200438 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587200439 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cnnc(O)c2[nH]1 ZINC000587200440 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200441 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587200443 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200444 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587200445 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587200446 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587200447 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587200448 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200449 KK Annotated Anodyne CCCC[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200451 KK Annotated Anodyne COc1cncc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200452 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587200453 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200454 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587200455 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587200456 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587200457 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CC(=O)NC(c5ccccc5)(c5ccccc5)c5ccccc5)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587200458 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587200459 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587200460 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(N)c(N)cc2[nH]1 ZINC000587200461 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc(N)ncc2[nH]1 ZINC000587200462 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587200463 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200464 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587200465 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(=N)N)cc2[nH]1 ZINC000587200466 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200467 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200468 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200469 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587200470 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c[nH]c(=N)[nH]c-2n1 ZINC000587200471 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587200472 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587200473 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587200474 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587200475 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587200476 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587200477 KK Annotated Anodyne Cc1cccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200479 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200481 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200482 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587200483 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587200484 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200485 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587200486 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587200487 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587200488 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200489 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200490 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587200491 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587200492 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)c(C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200493 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200494 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200495 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cncnc2[nH]1 ZINC000587200496 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccnc(O)c2[nH]1 ZINC000587200497 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200498 KK Annotated Anodyne Cc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587200499 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587200500 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200501 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587200502 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(CCO)cc2[nH]1 ZINC000587200503 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587200504 KK Annotated Anodyne Cc1cnc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200505 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587200507 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200510 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200511 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587200512 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2ccc3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200513 KK Annotated Anodyne COc1cccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200514 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200516 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200517 KK Annotated Reactive CCOC(=O)Cc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200519 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200521 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200522 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200523 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200524 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200525 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ncc[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200526 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200528 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200529 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200530 KK Annotated Anodyne COc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cn1 ZINC000587200531 KK Annotated Anodyne Cc1nccc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200533 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200535 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200536 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cnc3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200537 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200538 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Sc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200539 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200540 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200541 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200542 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(O)nc(O)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200544 KK Annotated Anodyne Cc1cc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587200545 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200549 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200550 KK Annotated Reactive C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200551 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200552 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200553 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200555 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200556 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cncc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200557 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587200558 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200559 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(N)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200561 KK Annotated Anodyne Cc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587200562 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200563 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200564 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2[nH]c(=N)[nH]c(Cl)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200565 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200567 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200568 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(F)cnc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200569 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200570 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200571 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc([N+](=O)[O-])cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200572 KK Annotated Bother Cc1c(Cl)ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200573 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200574 KK Annotated Anodyne CSc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200575 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200576 KK Annotated Anodyne COc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587200577 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200578 KK Annotated Anodyne COC(=O)c1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587200579 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200581 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200583 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200584 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200585 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200586 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200587 KK Annotated Anodyne COc1cncc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587200588 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccnc(N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200589 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(O)nc(O)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200590 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587200591 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200592 KK Annotated Reactive C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200594 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200596 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200597 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Br)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200598 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587200599 KK Annotated Anodyne COc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587200600 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200601 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C#N)c(C#N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200602 KK Annotated Mild Cc1nc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587200603 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200605 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200606 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200607 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H]([C@@H](C)OCc5ccccc5)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587200608 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200609 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587200610 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587200611 KK Annotated Anodyne Cc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587200612 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200613 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200614 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587200615 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587200616 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Br)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200617 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cnncc2[nH]1 ZINC000587200618 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200619 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200620 KK Annotated Anodyne COc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587200621 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587200622 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587200623 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587200624 KK Annotated Bother COC(=O)c1cccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200625 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587200626 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587200627 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587200628 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587200629 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587200630 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@H](CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000587200631 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccnc2[nH]1 ZINC000587200632 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587200633 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587200634 KK Annotated Anodyne CCCCCOc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200635 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)cnc2[nH]1 ZINC000587200636 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200637 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587200638 KK Annotated Anodyne CCCC[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200639 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(CO)cc2[nH]1 ZINC000587200640 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587200641 KK Annotated Anodyne COc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587200642 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200643 KK Annotated Mild CCCC[C@@H](c1nc2cc(C)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200644 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587200645 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587200646 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587200647 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587200648 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587200649 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587200650 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587200651 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587200652 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200654 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Br)cc2[nH]1 ZINC000587200655 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587200657 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccnc(O)c2[nH]1 ZINC000587200658 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587200659 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cnccc2[nH]1 ZINC000587200660 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200661 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ncc[nH]c-2n1 ZINC000587200662 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(O)nc(O)nc2[nH]1 ZINC000587200663 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C(N)=O)c2[nH]1 ZINC000587200664 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200665 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200666 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200667 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cnc(Cl)[nH]c-2n1 ZINC000587200668 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587200669 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cncc([N+](=O)[O-])c2[nH]1 ZINC000587200670 KK Annotated Bother CCCOc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200672 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200673 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200675 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200677 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587200678 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200679 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200681 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587200682 KK Annotated Anodyne COc1nccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200683 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200684 KK Annotated Anodyne CSc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200685 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200687 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200688 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)CC1 ZINC000587200690 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200691 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587200692 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cnncc2[nH]1 ZINC000587200693 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587200694 KK Annotated Anodyne Cc1cncc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200696 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587200697 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200698 KK Annotated Anodyne CC1=C(c2ccc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587200700 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587200701 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200702 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587200703 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200704 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587200705 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200706 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200707 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(N)=O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200708 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200709 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(O)c2[nH]1 ZINC000587200710 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc([C@@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200711 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc([C@H](N)N=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200712 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587200714 KK Annotated Clean CCCCNS(=O)(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200715 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587200716 KK Annotated Bother CC(C)Oc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200717 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200718 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200719 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587200720 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200721 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C#N)cc2[nH]1 ZINC000587200722 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200723 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200724 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200725 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200726 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200727 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587200728 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200729 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587200731 KK Annotated Anodyne Cc1cncc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200732 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200733 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587200735 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200737 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200738 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587200740 KK Annotated Anodyne COc1nccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200741 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587200742 KK Annotated Anodyne Cc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200743 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587200745 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200747 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587200748 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587200749 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c3c2)cc1 ZINC000587200750 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C(N)=O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200751 KK Annotated Anodyne Cc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587200752 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200754 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc12 ZINC000587200755 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200756 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200757 KK Annotated Anodyne COc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587200758 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200759 KK Annotated Bother C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3ccccc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200760 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200761 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200762 KK Annotated Anodyne Cc1cc(C)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587200765 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2nc(C#N)c(C#N)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200767 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200768 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200769 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200770 KK Annotated Bother C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Br)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200772 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200773 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2ccc(F)c(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200774 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200775 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cnnc(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200776 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200778 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200781 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200783 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200784 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200785 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200786 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200788 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200794 KK Annotated Anodyne COC(=O)c1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587200795 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200797 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(=O)(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200798 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200799 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200800 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200802 KK Annotated Anodyne COc1nccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587200803 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200804 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200805 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200807 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200808 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Br)ccnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200816 KK Annotated Anodyne Cc1c(F)ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200818 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200819 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200820 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200822 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(N)ncc2[nH]1 ZINC000587200823 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC(C)C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200826 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200827 KK Annotated Anodyne CCCC[C@@H](c1nc2ccnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200828 KK Annotated Anodyne COc1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1OC ZINC000587200829 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587200832 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C#N)c2[nH]1 ZINC000587200833 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200835 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200836 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CCCC)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587200838 KK Annotated Mild CCCC[C@@H](c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200841 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587200842 KK Annotated Anodyne COc1ccc(NC(C)(C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587200844 KK Annotated Bother CCOC(=O)Cc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200847 KK Annotated Anodyne Cc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587200850 KK Annotated Anodyne COC(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200851 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C(C)(C)C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200852 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200854 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200855 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200862 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200866 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Br)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200870 KK Annotated Anodyne CCCC[C@@H](c1nc2c(C)c(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200872 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200874 KK Annotated Anodyne COc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587200875 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200876 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200878 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587200880 KK Annotated Anodyne COc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200881 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200882 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(F)cc2[nH]1 ZINC000587200885 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587200887 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200888 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(C#N)c2[nH]1 ZINC000587200889 KK Annotated Mild CC(C)Oc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200891 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200893 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200895 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Br)nc2[nH]1 ZINC000587200897 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587200899 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(N)ccnc2[nH]1 ZINC000587200901 KK Annotated Anodyne Cc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587200903 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200904 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200905 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200906 KK Annotated Bother CC(C)Oc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200907 KK Annotated Anodyne Cc1nccc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200909 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2nc(Br)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200910 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587200911 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587200913 KK Annotated Anodyne Cc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1C ZINC000587200914 KK Annotated Anodyne Cc1ccnc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200915 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587200916 KK Annotated Anodyne Cc1cc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587200918 KK Annotated Anodyne COC(=O)c1cccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587200920 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc3c(c2[nH]1)CCCC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200921 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587200924 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587200927 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200932 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200934 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587200936 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200938 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200940 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(I)c2[nH]1 ZINC000587200942 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200945 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587200946 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587200947 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)Nc3ccc(OC)cc3)[nH]c21 ZINC000587200948 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587200949 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587200951 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587200953 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200954 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587200958 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(I)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200959 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c3cc21 ZINC000587200961 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200964 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587200965 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200968 KK Annotated Mild CCCC[C@@H](c1nc2ccc(Br)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200969 KK Annotated Anodyne COc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587200970 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3c(cc2[nH]1)OCO3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200971 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587200976 KK Annotated Anodyne Cc1ccc2c(ccc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c32)n1 ZINC000587200978 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(Br)c2[nH]1 ZINC000587200979 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200980 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200981 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200983 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587200985 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200987 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587200989 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200991 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200995 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200996 KK Annotated Clean COc1cc(OC)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587200998 KK Annotated Anodyne CCCC[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587200999 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201000 KK Annotated Anodyne Cc1cc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c(C)n1 ZINC000587201002 KK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587201005 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201006 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587201007 KK Annotated Mild C[C@@H](c1ccccc1)N(Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201013 KK Annotated Anodyne CCCOc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201015 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201017 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587201018 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201019 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(CCO)cc2[nH]1 ZINC000587201020 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c21 ZINC000587201021 KK Annotated Clean CC(C)COc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201022 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587201024 KK Annotated Anodyne CSc1ccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2c1 ZINC000587201025 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201027 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(-n3cnnn3)cc2[nH]1 ZINC000587201028 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201029 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587201030 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(OCCN(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201031 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Br)ccnc2[nH]1 ZINC000587201033 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c3ccccc3c3ccccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201034 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587201036 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587201039 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201047 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(I)cnc2[nH]1 ZINC000587201049 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201051 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587201052 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201053 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(I)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201055 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201057 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587201058 KK Annotated Bother CCCC[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201059 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201061 KK Annotated Anodyne CCc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201063 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587201064 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587201067 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201068 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201069 KK Annotated Anodyne CCCC[C@@H](c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201070 KK Annotated Bother CC(C)Oc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201071 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587201072 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cncc(Cl)c2[nH]1 ZINC000587201073 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Br)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201074 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(I)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201075 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)nc(C#N)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201076 KK Annotated Mild Cc1cc(C)c2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587201077 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c3cccnc3c3ncccc3c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201078 KK Annotated Bother Cc1c(Br)cnc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587201079 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587201080 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201081 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587201082 KK Annotated Anodyne COc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1OC ZINC000587201083 KK Annotated Anodyne COc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201084 KK Annotated Anodyne C=CCc1cccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587201085 KK Annotated Mild CCCC[C@@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201086 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587201087 KK Annotated Anodyne CCCC[C@@H](c1nc2cccc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201089 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587201091 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201092 KK Annotated Bother C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc([N+](=O)[O-])cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201093 KK Annotated Bother C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201094 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201095 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(I)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201096 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201097 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587201098 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587201099 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587201100 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587201101 KK Annotated Reactive CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2nc(Br)c[nH]c-2n1 ZINC000587201102 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587201103 KK Annotated Anodyne CCCC[C@@H](c1nc2nc(Br)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201104 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)c(C)c(C)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201105 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201106 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587201107 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587201108 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587201117 KK Annotated Clean COc1ccc(NC(C)(C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587201125 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3ccccc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201210 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587201211 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201212 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201213 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201214 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C#N)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201215 KK Annotated Mild CCCC[C@@H](c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201216 KK Annotated Anodyne Cc1ccnc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587201217 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(N)=O)cc2[nH]1 ZINC000587201218 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(F)c(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201220 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201221 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587201222 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201223 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587201224 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201225 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OC)c(Cl)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201226 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(F)cnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201227 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587201228 KK Annotated Anodyne Cc1cccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587201229 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587201230 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(CN3CCOCC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201231 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Cl)c(Br)cnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201232 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587201233 KK Annotated Anodyne C=CCc1cccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587201234 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 ZINC000587201235 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201238 KK Annotated Anodyne CC(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201239 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201240 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587201241 KK Annotated Anodyne Cc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587201243 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201244 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587201245 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587201246 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2nc(Cl)c[nH]c-2n1 ZINC000587201247 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(O)ncnc2[nH]1 ZINC000587201248 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201249 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587201250 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201251 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587201254 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201255 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)cnc2[nH]1 ZINC000587201257 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587201258 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587201259 KK Annotated Anodyne Cc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201260 KK Annotated Anodyne Cc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587201261 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(CO)cc2[nH]1 ZINC000587201263 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587201264 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc3ncccc3c2[nH]1 ZINC000587201265 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccnc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201266 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201267 KK Annotated Reactive CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](CC(=O)NC(c5ccccc5)(c5ccccc5)c5ccccc5)N(C)C(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587201268 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201269 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587201270 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587201271 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587201272 KK Annotated Anodyne COc1nccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587201273 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2c(N)ncnc2[nH]1 ZINC000587201274 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc12 ZINC000587201275 KK Annotated Anodyne COc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587201276 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587201277 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587201278 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201279 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201280 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201281 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccnc(N)c2[nH]1 ZINC000587201282 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3nc4ccccc4nc3cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201283 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(I)cc2[nH]1 ZINC000587201284 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201285 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(Cl)c2[nH]1 ZINC000587201286 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201287 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587201288 KK Annotated Anodyne CCCC[C@@H](c1nc2ccc(Br)c(O)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201289 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cnc3ccccc3c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201290 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587201291 KK Annotated Anodyne COc1cc(OC)c2[nH]c(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)nc2c1 ZINC000587201292 KK Annotated Anodyne Cc1cc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587201295 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587201296 KK Annotated Reactive C[C@@H](c1ccccc1)N(Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201297 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201298 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587201299 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(C#N)c(C#N)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201300 KK Annotated Mild CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccnc(N)c2[nH]1 ZINC000587201301 KK Annotated Anodyne Cc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201302 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587201303 KK Annotated Bother COC(=O)c1cc2[nH]c([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587201304 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587201305 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587201306 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(Br)cnc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201307 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(I)cnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201310 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587201313 KK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587201315 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(=O)NN)cc2[nH]1 ZINC000587201316 KK Annotated Reactive CCCCOc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201317 KK Annotated Anodyne COc1cncc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587201318 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201320 KK Annotated Bother C[C@@H](c1ccccc1)N(Cc1nc2ccc(I)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201321 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201322 KK Annotated Anodyne Cc1cc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587201323 KK Annotated Bother COc1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cc1F ZINC000587201324 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201326 KK Annotated Anodyne COc1cccc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c12 ZINC000587201330 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(Cl)ncc2[nH]1 ZINC000587201332 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2nc(Cl)c[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201334 KK Annotated Anodyne Cc1cc2[nH]c([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587201335 KK Annotated Bother CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(O)nc(N)nc2[nH]1 ZINC000587201339 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2c(O)ncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201340 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201341 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587201342 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(OC(F)(F)F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201343 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(O)cc2[nH]1 ZINC000587201345 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201346 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(OCCC)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201347 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccnc2[nH]1 ZINC000587201350 KK Annotated Anodyne Cc1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587201352 KK Annotated Anodyne CCCC[C@@H](c1nc2c(F)c(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201355 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587201358 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201359 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cnncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201360 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)cc(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201362 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Br)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201363 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3ccccc3cc2[nH]1 ZINC000587201367 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201369 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201370 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cnccc2[nH]1 ZINC000587201372 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587201373 KK Annotated Anodyne COC(=O)c1cc2nc(CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C)c3ccccc3)[nH]c2cn1 ZINC000587201374 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201376 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201379 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cccc(O)c2[nH]1 ZINC000587201380 KK Annotated Anodyne CCCCCOc1cc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201382 KK Annotated Anodyne CCCC[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201384 KK Annotated Bother CCCC[C@@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201386 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2c(S)nc(S)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201387 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201389 KK Annotated Reactive C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201393 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201394 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587201395 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)Nc4ccc(OC)cc4)[nH]c3cc21 ZINC000587201396 KK Annotated Clean C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201397 KK Annotated Bother CCCC[C@@H](c1nc2ccc(OC(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201399 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201401 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587201402 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201403 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587201405 KK Annotated Clean CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587201407 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587201408 KK Annotated Clean COC(=O)c1ccc2nc([C@H]([C@@H](C)OCc3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587201409 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 ZINC000587201411 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(N)c(N)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201412 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cnc3ccccc3c2[nH]1 ZINC000587201414 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201415 KK Annotated Bother Cc1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587201416 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587201419 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C#N)cc2[nH]1 ZINC000587201422 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(CO)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201424 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201427 KK Annotated Anodyne COc1cncc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587201428 KK Annotated Anodyne C=CCc1cccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587201429 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C)c4ccccc4)[nH]c3c2)cc1 ZINC000587201430 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587201431 KK Annotated Mild C[C@@H](OCc1ccccc1)[C@@H](c1nc2cccc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201433 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cncc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201435 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201437 KK Annotated Bother C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201444 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201446 KK Annotated Anodyne C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201447 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201450 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587201452 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201453 KK Annotated Anodyne Cc1nccc2[nH]c([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587201454 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(C)c(Br)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201455 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CC(=O)NC(c4ccccc4)(c4ccccc4)c4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587201456 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H]([C@@H](C)OCc4ccccc4)N(C)C(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587201458 KK Annotated Anodyne C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201459 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCCCNC(=O)OC(C)(C)C)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587201461 KK Annotated Anodyne Cc1ccc2nc([C@H](CC(=O)NC(c3ccccc3)(c3ccccc3)c3ccccc3)N(C)C(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587201462 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 ZINC000587201464 KK Annotated Anodyne CCCC[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587201465 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587201468 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2c(N)ncnc2[nH]1 ZINC000587201470 KK Annotated Anodyne CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccnc(Br)c2[nH]1 ZINC000587201471 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587201477 KK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587201489 KK Annotated Reactive O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCc1ccccc1 ZINC000587201841 KK Annotated Anodyne O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCc1ccccc1 ZINC000587201847 KK Annotated Anodyne CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 ZINC000587201920 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587202003 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587202004 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587202331 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587202332 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202403 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202404 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202407 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202410 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202546 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202551 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202552 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202553 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)(C)C ZINC000587202556 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(C)(C)C ZINC000587202557 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202597 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202598 KK Annotated Anodyne O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCc1ccccc1 ZINC000587202748 KK Annotated Anodyne O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCc1ccccc1 ZINC000587202749 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202785 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202789 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202849 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202852 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202854 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202856 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202888 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202890 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202892 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202894 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202910 KK Annotated Reactive CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202911 KK Annotated Reactive CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202912 KK Annotated Reactive CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587202913 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(C(=N)NC(=O)OC(C)(C)C)c4)[nH]c3cc21 ZINC000587202953 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3cc21 ZINC000587202958 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3cc21 ZINC000587202959 KK Annotated Clean C=C(NC(C)=O)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587202962 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CC(=O)O)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587203023 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CC(=O)O)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587203025 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203038 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203043 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203044 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203046 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc1-2 ZINC000587203059 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc1-2 ZINC000587203061 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c3cc21 ZINC000587203115 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c3cc21 ZINC000587203120 KK Annotated Clean O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCc1ccccc1 ZINC000587203145 KK Annotated Anodyne O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCc1ccccc1 ZINC000587203147 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203213 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203214 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203215 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203216 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203257 KK Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203259 KK Annotated Bother CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203260 KK Annotated Bother CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203261 KK Annotated Bother CCCCCCCCOc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587203330 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1Br ZINC000587203334 KK Annotated Mild CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587203356 KK Annotated Anodyne CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587203357 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(C(=N)NC(=O)OC(C)(C)C)c4)[nH]c3cc21 ZINC000587203366 KK Annotated Clean CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587203418 KK Annotated Anodyne O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCc1ccccc1 ZINC000587203581 KK Annotated Anodyne O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCc1ccccc1 ZINC000587203582 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203643 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203644 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203645 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203646 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203651 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203652 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203653 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203654 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203673 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203674 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203675 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587203676 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c21 ZINC000587203831 KK Annotated Clean CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587203889 KK Annotated Bother C=C(NC(C)=O)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587204024 KK Annotated Clean CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587204030 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204042 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204044 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204045 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204046 KK Annotated Anodyne O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587204113 KK Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587204116 KK Annotated Anodyne O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587204210 KK Annotated Bother O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587204211 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587204218 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](CC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587204219 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204290 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204291 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204292 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204293 KK Annotated Anodyne N#Cc1cc2nc([C@@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587204304 KK Annotated Mild N#Cc1cc2nc([C@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587204305 KK Annotated Mild CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204591 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587204593 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204594 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204595 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204596 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204604 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204605 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204606 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204608 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587204656 KK Annotated Mild CCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587204768 KK Annotated Anodyne CCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587204769 KK Annotated Anodyne CCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587204770 KK Annotated Anodyne CCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587204771 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204794 KK Annotated Reactive CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204795 KK Annotated Reactive CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204796 KK Annotated Reactive CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204797 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c21 ZINC000587204938 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c21 ZINC000587204939 KK Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204977 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204978 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204979 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587204980 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205008 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205012 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205014 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205015 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205040 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205041 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205042 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205043 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205050 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205051 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205052 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205053 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205054 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205055 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205057 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205059 KK Annotated Anodyne O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCc1ccccc1 ZINC000587205178 KK Annotated Bother O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCc1ccccc1 ZINC000587205179 KK Annotated Bother CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205186 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205187 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205188 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205189 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205269 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205270 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205271 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205272 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205281 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205282 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205283 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205284 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205315 KK Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205316 KK Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205317 KK Annotated Clean CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205318 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C ZINC000587205341 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C ZINC000587205342 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3cc21 ZINC000587205361 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c3cc21 ZINC000587205362 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205375 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205376 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205377 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205378 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205381 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205382 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205383 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205384 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c21 ZINC000587205399 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c21 ZINC000587205400 KK Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205417 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205430 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205432 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205434 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587205453 KK Annotated Mild CCCCCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587205454 KK Annotated Mild CCCCCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587205456 KK Annotated Mild CCCCCCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587205457 KK Annotated Mild CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205462 KK Annotated Clean CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205464 KK Annotated Clean CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205466 KK Annotated Clean CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205469 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)(C)C ZINC000587205489 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(C)(C)C ZINC000587205490 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205554 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205555 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205556 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205557 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205575 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205576 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205578 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205580 KK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c(-c2nc3cccc4c3c(c2CCCC)-c2ccccc2C4=O)c1O ZINC000587205630 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000587205631 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000587205632 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@H](c4cc5c6c(cccc6n4)C(=O)c4ccccc4-5)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587205654 KK Annotated Mild CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205786 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205788 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205789 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205791 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205806 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205807 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205808 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587205809 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O ZINC000587205918 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1c1c(nc2cccc4c2c1-c1ccccc1C4=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587205940 KK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccc(O)c(O)c3)c(/C=C/CCc3ccc(O)c(O)c3)nc3cccc1c23 ZINC000587205989 KK Annotated Clean CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@H]2CCC(=O)C=C12 ZINC000587206052 KK Annotated Mild CCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206059 KK Annotated Mild CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206141 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206143 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206146 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206150 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206163 KK Annotated Bother CC[C@H](C)[C@@H](NC(=O)CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206170 KK Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206173 KK Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206175 KK Annotated Bother C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c(nc7cccc8c7c6-c6ccccc6C8=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587206206 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)(C)C ZINC000587206208 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C(C)(C)C ZINC000587206210 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206269 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206277 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206278 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206281 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCc1cnc2cccc3c2c1-c1ccccc1C3=O ZINC000587206305 KK Annotated Mild CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000587206324 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@]2(C)O ZINC000587206325 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@]2(C)O ZINC000587206326 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@]2(C)O ZINC000587206327 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@]2(C)O ZINC000587206328 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587206343 KK Annotated Anodyne CCCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206354 KK Annotated Mild CCCCCCCCCCCCCCCCc1c(CC(=O)c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206356 KK Annotated Mild CCCCCCCCCCCCCCc1c(-c2c(O)oc(CO)c2O)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206388 KK Annotated Mild CCCCC[C@H](O)c1ccc([C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587206407 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587206410 KK Annotated Anodyne C[C@@]12CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]1C(=O)CO)-c1ccccc1C6=O ZINC000587206412 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@H]2C(=O)CO ZINC000587206413 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206416 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@](C)(CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@H]1CC[C@@H]2C(=O)CO ZINC000587206417 KK Annotated Anodyne C[C@@]12CCC3=Cc4nc5cccc6c5c(c4C[C@]3(C)[C@H]1CC[C@]1(C)[C@H](C(=O)CO)CC[C@H]21)-c1ccccc1C6=O ZINC000587206418 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206421 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206423 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587206426 KK 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)C(=O)c1ccccc1-2 ZINC000587206479 KK Annotated Anodyne CCCCCCC[C@H](O)Cc1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587206531 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O ZINC000587206555 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O ZINC000587206568 KK Annotated Mild CCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587206579 KK Annotated Anodyne CCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587206581 KK Annotated Anodyne CCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587206584 KK Annotated Anodyne CCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587206587 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587206594 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2cc1Br ZINC000587206607 KK Annotated Mild CCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587206610 KK Annotated Anodyne CCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@@H](C)CC)[nH]c2cc1Br ZINC000587206615 KK Annotated Anodyne CCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587206616 KK Annotated Anodyne CCCCOc1cc2nc(CCC(=O)N[C@H](C(=O)N[C@H](C)C(=O)Nc3ccc4c(C)cc(=O)oc4c3)[C@H](C)CC)[nH]c2cc1Br ZINC000587206617 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)(C)C ZINC000587206673 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C(C)(C)C ZINC000587206675 KK Annotated Bother CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206690 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206692 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206693 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587206694 KK Annotated Anodyne CCCCCCCCC[C@H](O)Cc1nc2cccc3c2c(c1Cc1ccc(O)c(OC)c1)-c1ccccc1C3=O ZINC000587206758 KK Annotated Mild CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 ZINC000587206913 KK Annotated Anodyne CCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587206917 KK Annotated Mild CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 ZINC000587206918 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1c1c(nc3cccc4c3c1-c1ccccc1C4=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587206994 KK Annotated Anodyne CCCCCCCCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCCCCCCCC)-c1ccccc1C3=O ZINC000587207013 KK Annotated Mild CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587207070 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587207075 KK Annotated Anodyne CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587207079 KK Annotated Anodyne CCCCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCCCC)-c1ccccc1C3=O ZINC000587207080 KK Annotated Mild CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000587207082 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207112 KK Annotated Anodyne C[C@H]1c2nc3cccc4c3c(c2C[C@H]2[C@]3(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]3CC[C@@]21C)-c1ccccc1C4=O ZINC000587207147 KK 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)-c1ccccc1C7=O ZINC000587207242 KK 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)-c1ccccc1C7=O ZINC000587207243 KK 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)-c1ccccc1C7=O ZINC000587207244 KK 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)-c1ccccc1C7=O ZINC000587207245 KK 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)-c1ccccc1C7=O ZINC000587207251 KK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587207290 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587207628 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5c(nc6cccc7c6c5-c5ccccc5C7=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587207632 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000587207681 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OC ZINC000587207683 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587207697 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)-c1ccccc1C7=O ZINC000587207700 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587207703 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C)-c1ccccc1C7=O ZINC000587207705 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)-c1ccccc1C7=O ZINC000587207714 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(C)cc1 ZINC000587207801 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccc(C)cc1 ZINC000587207802 KK Annotated Anodyne C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587207867 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@@H](C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587207870 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587207871 KK Annotated Mild C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)[C@@H](C=O)C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587207873 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@@]21C)-c1ccccc1C7=O ZINC000587207918 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3C(=O)C[C@]21C)-c1ccccc1C7=O ZINC000587207920 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)Cc2c(nc4cccc5c4c2-c2ccccc2C5=O)C(C)(C)[C@@H]1CC3 ZINC000587207934 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)C(C)(C)[C@H]2CC[C@]13C ZINC000587207994 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000587208000 KK Annotated Anodyne CCCCCCc1c(-c2cc3c(Br)sc(Br)c3s2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208075 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208078 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208082 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208084 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587208086 KK Annotated Anodyne CCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208092 KK Annotated Mild COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CSc1nc2ccccc2s1 ZINC000587208097 KK Annotated Anodyne CCCCCCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCCCCCC)-c1ccccc1C3=O ZINC000587208101 KK Annotated Mild CCOc1ccc(CCNc2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)cc1OCC ZINC000587208166 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5-c5ccccc5C7=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000587208241 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OCC ZINC000587208254 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1OCC ZINC000587208255 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](c2ccccc2)c2c(-c3ccccc3)nc3cccc4c3c2-c2ccccc2C4=O)C(=O)C1 ZINC000587208272 KK Annotated Anodyne CC1(C)CC(=O)C([C@@H](c2ccccc2)c2c(-c3ccccc3)nc3cccc4c3c2-c2ccccc2C4=O)C(=O)C1 ZINC000587208279 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)s2)C2CC2)cc1 ZINC000587208358 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587208455 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587208463 KK Annotated Mild CC(=O)S[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587208493 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@H]13)-c1ccccc1C5=O ZINC000587208502 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O)CC1(CC4)OCCO1 ZINC000587208543 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587208553 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587208554 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587208555 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O)-c1ccccc1C3=O ZINC000587208557 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(cccc4n2)CC3)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587208578 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc3c4c(cccc4n2)CC3)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587208579 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc3c4c(cccc4n2)CC3)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000587208580 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1c1cc2c3c(cccc3n1)CC2 ZINC000587208582 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208602 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587208606 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C ZINC000587208621 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2c2c(nc4cccc5c4c2-c2ccccc2C5=O)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587208664 KK Annotated Anodyne Cc1c([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208666 KK Annotated Anodyne Cc1c([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208667 KK Annotated Anodyne Cc1c([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208668 KK Annotated Anodyne Cc1c([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587208669 KK Annotated Anodyne 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)-c1ccccc1C7=O ZINC000587208675 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587208750 KK 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=C/C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587208761 KK 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=C/C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587208764 KK 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=C\C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)-c2ccccc2C5=O)C(C)(C)CCC1=O ZINC000587208766 KK Annotated Mild CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)nc2cccc3c2c1CC3 ZINC000587208837 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)nc2cccc3c2c1CC3 ZINC000587208838 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)nc2cccc3c2c1CC3 ZINC000587208839 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)nc2cccc3c2c1CC3 ZINC000587208840 KK Annotated Anodyne COc1cc2c(c3oc(=O)c4c(c13)Cc1c-4nc3cccc4c3c1-c1ccccc1C4=O)[C@@H]1CCO[C@@H]1O2 ZINC000587208921 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)nc3cccc1c23 ZINC000587208930 KK Annotated Unstable Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587208931 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587208932 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587208933 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O)-c1ccccc1C3=O ZINC000587208934 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587208956 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6cccc7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587209037 KK Annotated Reactive CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587209042 KK Annotated Reactive CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587209049 KK Annotated Mild O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3cccc1c23 ZINC000587209096 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3cccc1c23 ZINC000587209097 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3cccc1c23 ZINC000587209098 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3cccc1c23 ZINC000587209099 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209104 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209105 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209106 KK Annotated Anodyne O=C1c2ccccc2-c2cc([C@H](O)[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209107 KK Annotated Anodyne CC(C)C[C@H]1C2=C(Oc3cc(O)c(-c4nc5cccc6c5c(c4C(C)C)-c4ccccc4C6=O)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587209114 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c(-c4nc5cccc6c5c(c4C(C)C)-c4ccccc4C6=O)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587209115 KK Annotated Mild COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]2O)-c1ccccc1C5=O ZINC000587209135 KK Annotated Anodyne O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 ZINC000587209136 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587209142 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587209143 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587209144 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O)-c1ccccc1C3=O ZINC000587209145 KK 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)-c1ccccc1C7=O ZINC000587209152 KK Annotated Anodyne C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=Cc2nc4cccc5c4c(c2C[C@@]13C)-c1ccccc1C5=O ZINC000587209161 KK Annotated Anodyne CCC[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587209186 KK Annotated Anodyne CCCOc1ccn2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587209294 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=CC4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000587209356 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209359 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O ZINC000587209363 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587209430 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587209433 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587209436 KK Annotated Anodyne Cc1nc2cccc3c2c(c1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O)-c1ccccc1C3=O ZINC000587209439 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209527 KK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209533 KK Annotated Anodyne O=C(Nc1ccccc1Cl)C(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1cc2c3c(cccc3n1)CC2 ZINC000587209534 KK Annotated Mild C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209536 KK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209538 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587209672 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21)-c1ccccc1C5=O ZINC000587209675 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)-c1ccccc1C5=O ZINC000587209680 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21)-c1ccccc1C5=O ZINC000587209682 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)nc3cccc1c23 ZINC000587209683 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)nc3cccc1c23 ZINC000587209684 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)nc3cccc1c23 ZINC000587209685 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)nc3cccc1c23 ZINC000587209686 KK Annotated Anodyne C[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 ZINC000587209687 KK Annotated Anodyne O=C1c2ccccc2-c2c(Cc3ccccc3)c(C[C@H](CCc3ccccc3)O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)nc3cccc1c23 ZINC000587209722 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@@]21C)CC7 ZINC000587209812 KK Annotated Anodyne CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587209823 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587209849 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4-c4ccccc4C6=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587209850 KK Annotated Mild O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3cccc1c23 ZINC000587209858 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3cccc1c23 ZINC000587209859 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3cccc1c23 ZINC000587209860 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3cccc1c23 ZINC000587209861 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4cccc5c4c(c3CCCC)-c3ccccc3C5=O)[C@H]1C2 ZINC000587209874 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4cccc5c4c(c3CCCC)-c3ccccc3C5=O)[C@H]1C2 ZINC000587209875 KK Annotated Mild CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209886 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209887 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209888 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1cccc3c1c2-c1ccccc1C3=O ZINC000587209889 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209900 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209901 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209902 KK Annotated Anodyne O=C1c2ccccc2-c2cc(C[C@@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3cccc1c23 ZINC000587209903 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 ZINC000587209922 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13)-c1ccccc1C5=O ZINC000587209972 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]24CCC(=O)O4)[C@H]13)-c1ccccc1C5=O ZINC000587209973 KK Annotated Anodyne C[C@H]1CCCc2nc3cccc4c3c(c2CCCCc2cc(O)cc(O)c2C(=O)O1)-c1ccccc1C4=O ZINC000587209985 KK Annotated Anodyne O=C(Cc1cc2c3c(cccc3n1)CC2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587210095 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc2c3c(cccc3n1)CC2 ZINC000587210190 KK Annotated Mild CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587210665 KK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)nc3cccc4c3c2CC4)c2ccccc21 ZINC000587211062 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)nc3cccc4c3c2CC4)c2ccccc21 ZINC000587211064 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](c5c(nc6cccc7c6c5CC7)[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587211247 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)-c2nc3cccc4c3c(c2CC1)CC4 ZINC000587211486 KK Annotated Clean O=C(O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211507 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211510 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211513 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211514 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211674 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211675 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2Cc3c(nc4cccc5c4c3CC5)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211678 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2Cc3c(nc4cccc5c4c3CC5)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211680 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211861 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211864 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211868 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587211870 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/c2nc4cccc5c4c(c2CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)CC5 ZINC000587211886 KK Annotated Mild O=C(O)[C@@H]1[C@@H]2CCc3nc4cccc5c4c(c3[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211923 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2CCc3nc4cccc5c4c(c3[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211926 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2CCc3nc4cccc5c4c(c3[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211928 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CCc3nc4cccc5c4c(c3[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587211931 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)nc3cccc4c3c2CC4)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587211972 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212003 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212008 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2c3c(nc4cccc5c4c3CC5)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212012 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2c3c(nc4cccc5c4c3CC5)C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212015 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nc3cccc4c3c(c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)CC4)cc1 ZINC000587212032 KK Annotated Anodyne CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](c2cnc3cccc4c3c2CC4)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1OC(C)=O ZINC000587212086 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587212229 KK Annotated Anodyne O=C(O)[C@@H]1[C@H]2Cc3nc4cccc5c4c(c3[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587212232 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2Cc3nc4cccc5c4c(c3[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587212233 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2Cc3nc4cccc5c4c(c3[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587212235 KK Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C\C(=O)N[C@H]3C(=O)Cc4c3nc3cccc5c3c4CC5)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587212390 KK Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)N[C@@H]3C(=O)Cc4c3nc3cccc5c3c4CC5)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587212391 KK Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C\C(=O)N[C@@H]3C(=O)Cc4c3nc3cccc5c3c4CC5)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587212392 KK Annotated Anodyne COC1=CC(C)=C[C@@H](C)[C@@H](O)[C@@H](C)CC(C)=CC=C[C@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](OC(=O)/C=C/C(=O)N[C@H]3C(=O)Cc4c3nc3cccc5c3c4CC5)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000587212393 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3CC4)[C@@H]2O[C@@H]2C1=O ZINC000587212405 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3CC4)[C@@H]2O[C@@H]2C1=O ZINC000587212406 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3CC4)[C@@H]2O[C@@H]2C1=O ZINC000587212407 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2cccc4c2c3CC4)[C@@H]2O[C@@H]2C1=O ZINC000587212408 KK Annotated Mild CC(C)(C(=O)O)c1ccc(-c2nc3cccc4c3c(c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)CC4)cc1 ZINC000587212612 KK Annotated Anodyne O=C(O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212618 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212638 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2c3c(nc4cccc5c4c3CC5)CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212641 KK Annotated Anodyne O=C(O)[C@@H]1C[C@H]2c3c(nc4cccc5c4c3CC5)CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587212645 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587212647 KK Annotated Mild O=C1[C@H](Cc2c(-c3ccc(F)cc3)nc3cccc4c3c2CC4)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587212763 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)CC7 ZINC000587213070 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5cccc6c5c(c4C[C@@H]32)CC6)C1 ZINC000587213200 KK Annotated Reactive CCCCCCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCCCCCC)CC3 ZINC000587213277 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc2c3c(cccc3n1)CC2 ZINC000587213393 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c(nc7cccc8c7c6CC8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587213463 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6cccc7c6c5CC7)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000587213621 KK Annotated Anodyne O=C(O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587213627 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587213629 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587213630 KK Annotated Anodyne O=C(O)[C@@H]1C[C@H]2Cc3nc4cccc5c4c(c3C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)CC5 ZINC000587213632 KK Annotated Anodyne C[C@]12Cc3c(nc4cccc5c4c3CC5)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]12 ZINC000587213654 KK Annotated Anodyne C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@@]21C)CC7 ZINC000587213696 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000587213719 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)nc2cccc3c2c1CC3 ZINC000587214016 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)CC5)[C@H]1c1ccccc1F ZINC000587214064 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@@H](c3ccc(OC)c(OC)c3)C2)CC5)[C@@H]1c1ccccc1F ZINC000587214065 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)CC5)[C@@H]1c1ccccc1F ZINC000587214067 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4cccc5c4c(c3[C@H](c3ccc(OC)c(OC)c3)C2)CC5)[C@H]1c1ccccc1F ZINC000587214071 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H](c3cc4c5c(cccc5n3)CC4)[C@@]12C ZINC000587214208 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587214211 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)CC7 ZINC000587214223 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@]4(C)[C@H]3CC[C@]12C)CC7 ZINC000587214230 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000587214440 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)CC5)C(C)(C)CCC1=O ZINC000587214584 KK 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=C\C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)CC5)C(C)(C)CCC1=O ZINC000587214591 KK 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=C\C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)CC5)C(C)(C)CCC1=O ZINC000587214594 KK 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=C/C2=C(C)c3nc4cccc5c4c(c3CC2(C)C)CC5)C(C)(C)CCC1=O ZINC000587214598 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6cccc7c6c(c5C[C@@]43C)CC7)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000587214631 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4c(nc5cccc6c5c4CC6)C(C)(C)[C@@H]2CC[C@]13C ZINC000587214705 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4c(nc5cccc6c5c4CC6)C(C)(C)[C@H]2CC[C@]13C ZINC000587214707 KK Annotated Anodyne CCCCCCCCCCCCCCCc1nc2cccc3c2c(c1CCCCCCCCCCCCCC)CC3 ZINC000587214767 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5c(nc6cccc7c6c5CC7)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000587214797 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6cccc7c6c(c5C[C@@H]4[C@H]3CC[C@]12C)CC7 ZINC000587214807 KK Annotated Mild C[C@H]1c2nc3cccc4c3c(c2C[C@H]2[C@]3(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]3CC[C@@]21C)CC4 ZINC000587214846 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13)CC5 ZINC000587215214 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]24CCC(=O)O4)[C@H]13)CC5 ZINC000587215216 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2c2c(nc4cccc5c4c2CC5)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587215269 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21)CC5 ZINC000587215401 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)CC5 ZINC000587215403 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21)CC5 ZINC000587215406 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21)CC5 ZINC000587215409 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5c(nc6cccc7c6c5CC7)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587215467 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)Cc5c(nc6cccc7c6c5CC7)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587215468 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)Cc4c(nc5cccc6c5c4CC6)C(C)(C)[C@@H]3CC[C@]12C ZINC000587215542 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(cccc4n2)CC3)c1O ZINC000587215555 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2cc3c4c(cccc4n2)CC3)c1O ZINC000587215559 KK Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1c1c(nc3cccc4c3c1CC4)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587215651 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)Cc2c(nc4cccc5c4c2CC5)C(C)(C)[C@@H]1CC3 ZINC000587215719 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1c1c(nc2cccc4c2c1CC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587216167 KK Annotated Anodyne CC(C)C[C@@H]1C2=C(Oc3cc(O)c(-c4nc5cccc6c5c(c4C(C)C)CC6)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587216191 KK Annotated Mild CC(C)C[C@H]1C2=C(Oc3cc(O)c(-c4nc5cccc6c5c(c4C(C)C)CC6)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587216192 KK Annotated Mild CC(C)Oc1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587216484 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587216485 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4CC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587216489 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4CC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587216490 KK Annotated Mild CCCOc1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587216499 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587216500 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587216525 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587216526 KK Annotated Bother CC(=O)S[C@@H]1CC2=Cc3nc4cccc5c4c(c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21)CC5 ZINC000587216527 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4CC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587216541 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4CC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587216542 KK Annotated Mild CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1-c1cc2c3c(cccc3n1)CC2 ZINC000587216557 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c21 ZINC000587216574 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c21 ZINC000587216575 KK Annotated Clean CC(C)CCOc1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587216756 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587216757 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(-c2cc3c4c(cccc4n2)CC3)c1C ZINC000587216831 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587216898 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587216899 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587216911 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587216912 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](NC(C)=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000587216915 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](NC(C)=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000587216916 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587216919 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587216920 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)c1ccc(C)cc1 ZINC000587216924 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)c1ccc(C)cc1 ZINC000587216925 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnc(Cl)[nH]c-4n3)cc2)c(OC)c1 ZINC000587216941 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587216965 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587216966 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnc(Cl)[nH]c-4n3)cc2)c(OC)c1 ZINC000587216973 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587216978 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587216983 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587216984 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587216986 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000587216988 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587216990 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587216991 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000587216993 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587216996 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587216998 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587217002 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587217003 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587217005 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587217006 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587217007 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OCCN(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217008 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587217009 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OCCN(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217013 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587217015 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587217017 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cnc4[nH]3)cc2)c(OC)c1 ZINC000587217024 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cnc4[nH]3)cc2)c(OC)c1 ZINC000587217031 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(=O)O)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217035 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(=O)O)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217044 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587217047 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587217053 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc([C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(OC)cc5OC)cc4)[nH]c3c2)cc1 ZINC000587217059 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc([C@@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(OC)cc5OC)cc4)[nH]c3c2)cc1 ZINC000587217061 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587217065 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587217074 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587217078 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)nc(S)nc4[nH]3)cc2)c(OC)c1 ZINC000587217079 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587217083 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)nc(S)nc4[nH]3)cc2)c(OC)c1 ZINC000587217093 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2)c(OC)c1 ZINC000587217120 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5nc(O)[nH]c5cc4[nH]3)cc2)c(OC)c1 ZINC000587217133 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587217139 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587217166 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217172 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217177 KK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cn1 ZINC000587217200 KK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cn1 ZINC000587217208 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217212 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217224 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2)c(OC)c1 ZINC000587217229 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)cc2)c(OC)c1 ZINC000587217233 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587217239 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Oc5ccccc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587217244 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217267 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217268 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000587217273 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000587217275 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587217278 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587217279 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217280 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217285 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217295 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217298 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217319 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(-n5cccn5)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217321 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5nc(C)ccc5c4[nH]3)cc2)c(OC)c1 ZINC000587217331 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5nc(C)ccc5c4[nH]3)cc2)c(OC)c1 ZINC000587217334 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587217337 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587217342 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217343 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217348 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587217372 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587217373 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587217519 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587217527 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587217552 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587217557 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217664 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217665 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)c(Br)cnc4[nH]3)cc2)c(OC)c1 ZINC000587217667 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)c(Br)cnc4[nH]3)cc2)c(OC)c1 ZINC000587217668 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncnc4[nH]3)cc2)c(OC)c1 ZINC000587217669 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncnc4[nH]3)cc2)c(OC)c1 ZINC000587217670 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217672 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217673 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587217674 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587217675 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2)c(OC)c1 ZINC000587217677 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)cc2)c(OC)c1 ZINC000587217678 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C)nc4[nH]3)cc2)c(OC)c1 ZINC000587217680 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C)nc4[nH]3)cc2)c(OC)c1 ZINC000587217681 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587217685 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587217686 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(Cl)nc4[nH]3)cc2)c(OC)c1 ZINC000587217687 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(Cl)nc4[nH]3)cc2)c(OC)c1 ZINC000587217688 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217689 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587217690 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5c(c4[nH]3)CCCC5)cc2)c(OC)c1 ZINC000587217691 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5c(c4[nH]3)CCCC5)cc2)c(OC)c1 ZINC000587217692 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)c(OC)c1 ZINC000587217703 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)c(OC)c1 ZINC000587217707 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217709 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217713 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217715 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587217718 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c(OC)c1 ZINC000587217720 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2)c(OC)c1 ZINC000587217723 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)ccc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587217724 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)ccc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587217726 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587217730 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587217734 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCO5)cc2)c(OC)c1 ZINC000587217736 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCO5)cc2)c(OC)c1 ZINC000587217738 KK Annotated Anodyne COC(=O)c1cc2[nH]c(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2cc1OC ZINC000587217747 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587217750 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)nc2c1 ZINC000587217751 KK Annotated Anodyne COC(=O)c1cc2[nH]c(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2cc1OC ZINC000587217753 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)nccc4[nH]3)cc2)c(OC)c1 ZINC000587217755 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)nccc4[nH]3)cc2)c(OC)c1 ZINC000587217756 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5cccc6c5c4CC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587217764 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(OC)cc4[nH]3)cc2)c(OC)c1 ZINC000587217766 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(OC)cc4[nH]3)cc2)c(OC)c1 ZINC000587217769 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000587217770 KK Annotated Reactive O=C(N[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 ZINC000587217771 KK Annotated Reactive COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587217774 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587217775 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217776 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217777 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cnc4[nH]3)cc2)c(OC)c1 ZINC000587217784 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cnc4[nH]3)cc2)c(OC)c1 ZINC000587217785 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587217786 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587217787 KK Annotated Anodyne CC(=O)N[C@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587217792 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587217794 KK Annotated Anodyne CC(=O)N[C@@H](Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587217795 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587217796 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217797 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587217800 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587217803 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587217804 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(C)=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217805 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(C)=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587217806 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587217808 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587217811 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587217927 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587217928 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587218134 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587218140 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c[nH]c(=N)[nH]c-4n3)cc2)c(OC)c1 ZINC000587218167 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c[nH]c(=N)[nH]c-4n3)cc2)c(OC)c1 ZINC000587218172 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218173 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218181 KK Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218190 KK Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218194 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587218208 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587218213 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cc2)c(OC)c1 ZINC000587218217 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)cc2)c(OC)c1 ZINC000587218219 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cnc4[nH]3)cc2)c(OC)c1 ZINC000587218227 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cnc4[nH]3)cc2)c(OC)c1 ZINC000587218231 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Cl)nc4[nH]3)cc2)c(OC)c1 ZINC000587218234 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Cl)nc4[nH]3)cc2)c(OC)c1 ZINC000587218236 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(O)c4[nH]3)cc2)c(OC)c1 ZINC000587218240 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(O)c4[nH]3)cc2)c(OC)c1 ZINC000587218241 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCCO5)cc2)c(OC)c1 ZINC000587218244 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCCO5)cc2)c(OC)c1 ZINC000587218247 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218256 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218257 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5cn[nH]c5cc4[nH]3)cc2)c(OC)c1 ZINC000587218261 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5cn[nH]c5cc4[nH]3)cc2)c(OC)c1 ZINC000587218263 KK Annotated Anodyne CCc1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218265 KK Annotated Anodyne CCc1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218266 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(I)c4[nH]3)cc2)c(OC)c1 ZINC000587218271 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(I)c4[nH]3)cc2)c(OC)c1 ZINC000587218272 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587218276 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587218277 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587218280 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587218281 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587218282 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587218283 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2)c(OC)c1 ZINC000587218284 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2)c(OC)c1 ZINC000587218285 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587218288 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587218289 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218292 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218293 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218294 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218295 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4nc(C#N)c(C#N)nc4[nH]3)cc2)c(OC)c1 ZINC000587218299 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4nc(C#N)c(C#N)nc4[nH]3)cc2)c(OC)c1 ZINC000587218300 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ncc[nH]c-4n3)cc2)c(OC)c1 ZINC000587218301 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ncc[nH]c-4n3)cc2)c(OC)c1 ZINC000587218302 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)cc2)c(OC)c1 ZINC000587218305 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)cc2)c(OC)c1 ZINC000587218306 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587218309 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587218310 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587218311 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587218312 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218313 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218314 KK Annotated Anodyne CCCCOc1cc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587218315 KK Annotated Anodyne CCCCOc1cc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587218316 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587218449 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587218450 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587218483 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587218484 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218520 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218521 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccccc4[nH]3)cc2)c(OC)c1 ZINC000587218526 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccccc4[nH]3)cc2)c(OC)c1 ZINC000587218527 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)ncnc4[nH]3)cc2)c(OC)c1 ZINC000587218528 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)ncnc4[nH]3)cc2)c(OC)c1 ZINC000587218529 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC)nc4[nH]3)cc2)c(OC)c1 ZINC000587218530 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC)nc4[nH]3)cc2)c(OC)c1 ZINC000587218531 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587218532 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587218533 KK Annotated Anodyne CCOC(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218540 KK Annotated Anodyne CCOC(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218541 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2)c(OC)c1 ZINC000587218544 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)cc2)c(OC)c1 ZINC000587218545 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218552 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218553 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218554 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218555 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(S)nc(S)nc4[nH]3)cc2)c(OC)c1 ZINC000587218556 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(S)nc(S)nc4[nH]3)cc2)c(OC)c1 ZINC000587218557 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218558 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218563 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218571 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587218578 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218581 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587218585 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587218605 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587218607 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4nc(Br)c[nH]c-4n3)cc2)c(OC)c1 ZINC000587218610 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4nc(Br)c[nH]c-4n3)cc2)c(OC)c1 ZINC000587218611 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)c(OC)c1 ZINC000587218612 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)c(OC)c1 ZINC000587218626 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)cc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587218648 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)cc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587218649 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218678 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587218679 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587218697 KK Annotated Clean CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587218699 KK Annotated Clean CCOC(=O)Cc1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218708 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587218711 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)nc(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587218725 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587218727 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587218729 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(C)nc(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587218740 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)c(OC)c1 ZINC000587218743 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(O)cc4[nH]3)cc2)c(OC)c1 ZINC000587218759 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587218763 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587218766 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587218768 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218769 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587218770 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(C)C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587218777 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(N)c(N)cc4[nH]3)cc2)c(OC)c1 ZINC000587218787 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(N)c(N)cc4[nH]3)cc2)c(OC)c1 ZINC000587218791 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(N)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587218793 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(N)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587218796 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218803 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587218806 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587218832 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587218834 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587218874 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3c2)cc1 ZINC000587218878 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219067 KK Annotated Reactive COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219069 KK Annotated Reactive COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219079 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219084 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219086 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219089 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(N)ncnc4[nH]3)cc2)c(OC)c1 ZINC000587219091 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(N)ncnc4[nH]3)cc2)c(OC)c1 ZINC000587219092 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587219093 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587219096 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587219107 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587219108 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587219110 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587219112 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cnc4[nH]3)cc2)c(OC)c1 ZINC000587219117 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)cnc4[nH]3)cc2)c(OC)c1 ZINC000587219118 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(N)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219119 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(N)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219122 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587219127 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587219129 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2)c(OC)c1 ZINC000587219134 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cc2)c(OC)c1 ZINC000587219136 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587219138 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587219139 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c21 ZINC000587219152 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c21 ZINC000587219155 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587219160 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587219163 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C#N)c4[nH]3)cc2)c(OC)c1 ZINC000587219164 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C#N)c4[nH]3)cc2)c(OC)c1 ZINC000587219165 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(C)nc4[nH]3)cc2)c(OC)c1 ZINC000587219168 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(C)nc4[nH]3)cc2)c(OC)c1 ZINC000587219169 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587219171 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587219172 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnncc4[nH]3)cc2)c(OC)c1 ZINC000587219173 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnncc4[nH]3)cc2)c(OC)c1 ZINC000587219174 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc([C@H](NC(=O)OCC6c7ccccc7-c7ccccc76)c6ccc(OC)cc6OC)cc5)[nH]c4c3)o2)cc1 ZINC000587219179 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(COc5ccc([C@@H](NC(=O)OCC6c7ccccc7-c7ccccc76)c6ccc(OC)cc6OC)cc5)[nH]c4c3)o2)cc1 ZINC000587219180 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2)c(OC)c1 ZINC000587219181 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(C(=O)O)c4[nH]3)cc2)c(OC)c1 ZINC000587219182 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587219183 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(F)c(F)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587219184 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587219188 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1 ZINC000587219189 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587219190 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587219191 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(=O)O)c4[nH]3)cc2)c(OC)c1 ZINC000587219192 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(=O)O)c4[nH]3)cc2)c(OC)c1 ZINC000587219193 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)cnc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219204 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)cnc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219205 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587219206 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587219207 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c21 ZINC000587219208 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c21 ZINC000587219209 KK Annotated Clean COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587219212 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587219213 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(N)=O)c4[nH]3)cc2)c(OC)c1 ZINC000587219214 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(N)=O)c4[nH]3)cc2)c(OC)c1 ZINC000587219215 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587219216 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587219217 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587219292 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587219295 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587219430 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587219431 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587219448 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2nc(C#N)c(C#N)nc2[nH]1 ZINC000587219449 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587219501 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(O)nc(S)nc2[nH]1 ZINC000587219503 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587219534 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587219535 KK Annotated Anodyne COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587219586 KK Annotated Reactive COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnccc4[nH]3)cc2)c(OC)c1 ZINC000587219598 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnccc4[nH]3)cc2)c(OC)c1 ZINC000587219600 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)nc(O)nc4[nH]3)cc2)c(OC)c1 ZINC000587219603 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)nc(O)nc4[nH]3)cc2)c(OC)c1 ZINC000587219605 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc1-2 ZINC000587219611 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)nc1-2 ZINC000587219614 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)nc(N)nc4[nH]3)cc2)c(OC)c1 ZINC000587219616 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(O)nc(N)nc4[nH]3)cc2)c(OC)c1 ZINC000587219622 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219623 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219625 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587219626 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587219627 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219628 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OCC(C)C)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219637 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219638 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219639 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(F)cnc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219648 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(F)cnc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587219649 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587219652 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587219653 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587219654 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587219655 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(C)(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587219657 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(C)(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587219658 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219661 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219662 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2)c(OC)c1 ZINC000587219663 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2)c(OC)c1 ZINC000587219664 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c(OC)c1 ZINC000587219665 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)c(OC)c1 ZINC000587219666 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219667 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219668 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219669 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)cc2)c(OC)c1 ZINC000587219670 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(OC)cc5OC)cc4)[nH]c3c2)cc1 ZINC000587219679 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(COc4ccc([C@@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(OC)cc5OC)cc4)[nH]c3c2)cc1 ZINC000587219680 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5ccccc5cc4[nH]3)cc2)c(OC)c1 ZINC000587219685 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5ccccc5cc4[nH]3)cc2)c(OC)c1 ZINC000587219686 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(I)cc4[nH]3)cc2)c(OC)c1 ZINC000587219690 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(I)cc4[nH]3)cc2)c(OC)c1 ZINC000587219691 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(I)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587219692 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(I)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587219710 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccnc4[nH]3)cc2)c(OC)c1 ZINC000587219725 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccnc4[nH]3)cc2)c(OC)c1 ZINC000587219726 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc12 ZINC000587219727 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc12 ZINC000587219729 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(CO)cc4[nH]3)cc2)c(OC)c1 ZINC000587219736 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(CO)cc4[nH]3)cc2)c(OC)c1 ZINC000587219737 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000587219738 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)nc2c1 ZINC000587219747 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)c(Br)cnc4[nH]3)cc2)c(OC)c1 ZINC000587219759 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)c(Br)cnc4[nH]3)cc2)c(OC)c1 ZINC000587219761 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219765 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)ncc4[nH]3)cc2)c(OC)c1 ZINC000587219769 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587219774 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCC(=O)OCc5ccccc5)NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587219842 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CCC(=O)OCc5ccccc5)NC(=O)OC(C)(C)C)[nH]c4c3)o2)cc1 ZINC000587219845 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587219906 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587219907 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587219944 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587219945 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587220024 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587220025 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587220050 KK Annotated Clean CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587220056 KK Annotated Clean CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587220059 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587220064 KK Annotated Anodyne COc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587220089 KK Annotated Anodyne COc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587220094 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587220205 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587220207 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587220265 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587220266 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)ccnc4[nH]3)cc2)c(OC)c1 ZINC000587220286 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(-n5cnnn5)cc4[nH]3)cc2)c(OC)c1 ZINC000587220296 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220297 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220300 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(-n5cnnn5)cc4[nH]3)cc2)c(OC)c1 ZINC000587220301 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)nc4[nH]3)cc2)c(OC)c1 ZINC000587220312 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587220314 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)nc4[nH]3)cc2)c(OC)c1 ZINC000587220317 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587220321 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C)c4[nH]3)cc2)c(OC)c1 ZINC000587220325 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587220327 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587220329 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587220345 KK Annotated Mild O=C(N[C@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220346 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(CCO)cc4[nH]3)cc2)c(OC)c1 ZINC000587220347 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220349 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(CCO)cc4[nH]3)cc2)c(OC)c1 ZINC000587220351 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c(OC)c1 ZINC000587220353 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3cc21 ZINC000587220356 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)c(OC)c1 ZINC000587220357 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2)c(OC)c1 ZINC000587220358 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3cc21 ZINC000587220359 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)cc2)c(OC)c1 ZINC000587220362 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)c(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587220364 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220366 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)c(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587220367 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220368 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587220370 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587220371 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2)c(OC)c1 ZINC000587220374 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2)c(OC)c1 ZINC000587220376 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587220381 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(F)c4[nH]3)cc2)c(OC)c1 ZINC000587220383 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)nc3cc2N1 ZINC000587220386 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)nc3cc2N1 ZINC000587220388 KK Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2n1 ZINC000587220390 KK Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2n1 ZINC000587220391 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587220394 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587220395 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnnc(O)c4[nH]3)cc2)c(OC)c1 ZINC000587220396 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220398 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnnc(O)c4[nH]3)cc2)c(OC)c1 ZINC000587220399 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])cnc4[nH]3)cc2)c(OC)c1 ZINC000587220403 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220404 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])cnc4[nH]3)cc2)c(OC)c1 ZINC000587220405 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587220407 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587220408 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2)c(OC)c1 ZINC000587220413 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2)c(OC)c1 ZINC000587220414 KK Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1OC ZINC000587220415 KK Annotated Anodyne COC(=O)c1ccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c1OC ZINC000587220416 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220448 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220450 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220479 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220480 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cnc4[nH]3)cc2)c(OC)c1 ZINC000587220481 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)cnc4[nH]3)cc2)c(OC)c1 ZINC000587220484 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587220489 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220493 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220495 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587220496 KK Annotated Anodyne COC(=O)c1cccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c12 ZINC000587220511 KK Annotated Anodyne COC(=O)c1cccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c12 ZINC000587220515 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587220518 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220519 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Br)ccnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220521 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC)c(Cl)cc4[nH]3)cc2)c(OC)c1 ZINC000587220526 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587220532 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587220533 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587220534 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587220539 KK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587220543 KK Annotated Anodyne COC(=O)c1cc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587220550 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587220554 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587220559 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(OC(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587220574 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(OC(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587220579 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587220583 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)c(F)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587220586 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587220618 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587220619 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587220630 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587220631 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587220632 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587220633 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CCCCNC(C)=O)NC(C)=O)[nH]c21 ZINC000587220634 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)[nH]c21 ZINC000587220635 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCCNC(C)=O)NC(C)=O)[nH]c21 ZINC000587220636 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)[nH]c21 ZINC000587220637 KK Annotated Clean CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587220642 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587220643 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587220655 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587220657 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587220678 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587220682 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](CCCC(C)C)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587220694 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](CCCC(C)C)NC(=O)OCC5c6ccccc6-c6ccccc65)[nH]c4c3)o2)cc1 ZINC000587220701 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587220745 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587220746 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587220758 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587220761 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587220777 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c21 ZINC000587220781 KK Annotated Clean CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587220782 KK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587220787 KK Annotated Bother Cc1nc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587220816 KK Annotated Anodyne Cc1nc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1Br ZINC000587220817 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587220880 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587220883 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220893 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587220896 KK Annotated Anodyne CC(C)COc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587220931 KK Annotated Anodyne CC(C)COc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587220935 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587220944 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc12 ZINC000587220947 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587221005 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587221011 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3cc21 ZINC000587221049 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3cc21 ZINC000587221060 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221069 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221074 KK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221083 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221091 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221093 KK Annotated Reactive COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587221099 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221102 KK Annotated Reactive COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(F)c4[nH]3)cc2)c(OC)c1 ZINC000587221104 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4nc(Cl)c[nH]c-4n3)cc2)c(OC)c1 ZINC000587221119 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4nc(Cl)c[nH]c-4n3)cc2)c(OC)c1 ZINC000587221122 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)nc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587221125 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)nc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587221127 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c(OC)c1 ZINC000587221137 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)c(OC)c1 ZINC000587221151 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)cc2)c(OC)c1 ZINC000587221166 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)cc2)c(OC)c1 ZINC000587221170 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587221173 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587221175 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221177 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221182 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221185 KK Annotated Bother CCCCNS(=O)(=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587221188 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587221189 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221201 KK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221203 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221207 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc([C@@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(OC)cc5OC)cc4)[nH]c3cc21 ZINC000587221208 KK Annotated Clean O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221210 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221211 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc([C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccc(OC)cc5OC)cc4)[nH]c3cc21 ZINC000587221212 KK Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221213 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221214 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587221225 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221227 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587221228 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221231 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(F)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587221237 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(F)cnc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587221247 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221248 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221249 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587221250 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)cc2)c(OC)c1 ZINC000587221254 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(N)c4[nH]3)cc2)c(OC)c1 ZINC000587221256 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(N)c4[nH]3)cc2)c(OC)c1 ZINC000587221258 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221262 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221263 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221264 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221265 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCCCO5)cc2)c(OC)c1 ZINC000587221266 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCCCO5)cc2)c(OC)c1 ZINC000587221267 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221268 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221269 KK Annotated Mild CCCOc1cc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587221273 KK Annotated Anodyne CCCOc1cc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587221274 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(I)cnc4[nH]3)cc2)c(OC)c1 ZINC000587221275 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(I)cnc4[nH]3)cc2)c(OC)c1 ZINC000587221276 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(O)c4[nH]3)cc2)c(OC)c1 ZINC000587221277 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(O)c4[nH]3)cc2)c(OC)c1 ZINC000587221278 KK Annotated Anodyne CCCCCCCCOc1cc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587221281 KK Annotated Mild CCCCCCCCOc1cc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587221282 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(C)(C)C)c4[nH]3)cc2)c(OC)c1 ZINC000587221285 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(C(C)(C)C)c4[nH]3)cc2)c(OC)c1 ZINC000587221286 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5ncccc5c4[nH]3)cc2)c(OC)c1 ZINC000587221287 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5ncccc5c4[nH]3)cc2)c(OC)c1 ZINC000587221288 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587221291 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587221297 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587221298 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221300 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587221301 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221302 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221304 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587221306 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(SC(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221307 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)c(Cl)cnc4[nH]3)cc2)c(OC)c1 ZINC000587221308 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)c(Cl)cnc4[nH]3)cc2)c(OC)c1 ZINC000587221309 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587221310 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587221314 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587221315 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(C)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587221316 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)c(C)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587221320 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)ccc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221331 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Br)ccc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587221333 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc(Br)c2[nH]1 ZINC000587221354 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cncc(Br)c2[nH]1 ZINC000587221355 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587221356 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587221357 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)ccnc2[nH]1 ZINC000587221362 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)ccnc2[nH]1 ZINC000587221363 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587221366 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587221367 KK Annotated Anodyne Cc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587221415 KK Annotated Anodyne Cc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587221416 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587221417 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587221418 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587221423 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587221424 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587221425 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587221427 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587221558 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCC(=O)OCc4ccccc4)NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587221559 KK Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221652 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221653 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221654 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221655 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221696 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221697 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221699 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221702 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc1-2 ZINC000587221704 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc1-2 ZINC000587221706 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221733 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221734 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221735 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221737 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221750 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221752 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221798 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(I)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587221801 KK Annotated Anodyne CCCOc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587221812 KK Annotated Anodyne CCCOc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587221815 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221855 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587221857 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnc5ccccc5c4[nH]3)cc2)c(OC)c1 ZINC000587221860 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnc5ccccc5c4[nH]3)cc2)c(OC)c1 ZINC000587221864 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccccc1 ZINC000587221867 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccccc1 ZINC000587221875 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587221883 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)N(C)C)cc4[nH]3)cc2)c(OC)c1 ZINC000587221886 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587221897 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cncc([N+](=O)[O-])c4[nH]3)cc2)c(OC)c1 ZINC000587221898 KK Annotated Bother COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)NN)cc4[nH]3)cc2)c(OC)c1 ZINC000587221899 KK Annotated Reactive COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)NN)cc4[nH]3)cc2)c(OC)c1 ZINC000587221903 KK Annotated Reactive COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2)c(OC)c1 ZINC000587221911 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cnc(C(F)(F)F)[nH]c-4n3)cc2)c(OC)c1 ZINC000587221918 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587221930 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cccc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587221933 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2)c(OC)c1 ZINC000587221942 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Br)cc(C(=O)O)c4[nH]3)cc2)c(OC)c1 ZINC000587221945 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)c(C#N)cc4[nH]3)cc2)c(OC)c1 ZINC000587221947 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C#N)c(C#N)cc4[nH]3)cc2)c(OC)c1 ZINC000587221949 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587221965 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccnc(OC)c4[nH]3)cc2)c(OC)c1 ZINC000587221966 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2)c(OC)c1 ZINC000587221971 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)cc2)c(OC)c1 ZINC000587221974 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C#N)cc4[nH]3)cc2)c(OC)c1 ZINC000587221978 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C#N)cc4[nH]3)cc2)c(OC)c1 ZINC000587221981 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)O)cc4[nH]3)cc2)c(OC)c1 ZINC000587221984 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)O)cc4[nH]3)cc2)c(OC)c1 ZINC000587221988 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222008 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222017 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587222020 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)cc2)c(OC)c1 ZINC000587222022 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2)c(OC)c1 ZINC000587222037 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc5c(cc4[nH]3)OCC(=O)N5)cc2)c(OC)c1 ZINC000587222048 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587222050 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587222052 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587222066 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc([C@H](N)N=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587222069 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc([C@@H](N)N=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587222073 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc([C@H](N)N=O)cc4[nH]3)cc2)c(OC)c1 ZINC000587222078 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587222080 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587222086 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587222108 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 ZINC000587222112 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587222113 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587222115 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587222117 KK Annotated Reactive CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587222120 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587222123 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c(OC)c1 ZINC000587222124 KK Annotated Reactive COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=N)N)cc4[nH]3)cc2)c(OC)c1 ZINC000587222132 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=N)N)cc4[nH]3)cc2)c(OC)c1 ZINC000587222135 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1 ZINC000587222138 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1ccccc1 ZINC000587222140 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587222145 KK Annotated Bother COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc([N+](=O)[O-])c(C)cc4[nH]3)cc2)c(OC)c1 ZINC000587222151 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587222152 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587222153 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(O)c4[nH]3)cc2)c(OC)c1 ZINC000587222157 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587222159 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Br)c(O)c4[nH]3)cc2)c(OC)c1 ZINC000587222160 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(S(N)(=O)=O)c2[nH]1 ZINC000587222161 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222166 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222171 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587222175 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587222176 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587222212 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587222213 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NC)c3cccnc3)[nH]c21 ZINC000587222247 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NC)c3cccnc3)[nH]c21 ZINC000587222248 KK Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222289 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222291 KK Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222303 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587222306 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc([C@@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587222315 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@H](NC(=O)OCC5c6ccccc6-c6ccccc65)c5ccccc5)[nH]c4c3)o2)cc1 ZINC000587222318 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587222320 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)NNC(=O)C1 ZINC000587222324 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC)cc4[nH]3)cc2)c(OC)c1 ZINC000587222328 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(OC)cc4[nH]3)cc2)c(OC)c1 ZINC000587222332 KK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587222334 KK Annotated Anodyne CCCCCOc1cc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c2cc1Br ZINC000587222339 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NC)c4cccnc4)[nH]c3cc21 ZINC000587222341 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NC)c4cccnc4)[nH]c3cc21 ZINC000587222343 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Cl)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587222351 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Cl)c(C)c4[nH]3)cc2)c(OC)c1 ZINC000587222354 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)nc(C#N)c4[nH]3)cc2)c(OC)c1 ZINC000587222358 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(Cl)nc(C#N)c4[nH]3)cc2)c(OC)c1 ZINC000587222363 KK Annotated Mild COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222370 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(Sc5ccccc5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222382 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c32)n1 ZINC000587222383 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c32)n1 ZINC000587222387 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587222403 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587222406 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222413 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222416 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587222418 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc2)c(OC)c1 ZINC000587222419 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587222423 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)cc2)c(OC)c1 ZINC000587222424 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587222432 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587222435 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2)c(OC)c1 ZINC000587222438 KK Annotated Clean COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cc2)c(OC)c1 ZINC000587222457 KK Annotated Clean COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(SC)cc4[nH]3)cc2)c(OC)c1 ZINC000587222462 KK Annotated Anodyne COc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1OC ZINC000587222465 KK Annotated Anodyne COc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1OC ZINC000587222468 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(SC)cc4[nH]3)cc2)c(OC)c1 ZINC000587222475 KK Annotated Anodyne COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)ncnc4[nH]3)cc2)c(OC)c1 ZINC000587222480 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4c(Cl)ncnc4[nH]3)cc2)c(OC)c1 ZINC000587222488 KK Annotated Anodyne C=CCc1cccc2nc(COc3ccc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c12 ZINC000587222496 KK Annotated Mild C=CCc1cccc2nc(COc3ccc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccc(OC)cc4OC)cc3)[nH]c12 ZINC000587222507 KK Annotated Mild COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(C)(C)C)nc4[nH]3)cc2)c(OC)c1 ZINC000587222535 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(C)(C)C)nc4[nH]3)cc2)c(OC)c1 ZINC000587222544 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587222581 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CCC(=O)OCc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1 ZINC000587222584 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587222610 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587222611 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587222665 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587222666 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587222702 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587222704 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587222755 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587222761 KK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2nc(Br)c[nH]c-2n1 ZINC000587222797 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2nc(Br)c[nH]c-2n1 ZINC000587222799 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587222817 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587222822 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222832 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587222836 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587222848 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587222850 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587222853 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587222855 KK Annotated Clean CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cnc2[nH]1 ZINC000587222882 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cnc2[nH]1 ZINC000587222885 KK Annotated Anodyne O=C1CCc2cc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3cc2N1 ZINC000587222906 KK Annotated Anodyne O=C1CCc2cc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3cc2N1 ZINC000587222907 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222916 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222917 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1C ZINC000587222942 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1C ZINC000587222943 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587222952 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587222953 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587222954 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587222955 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c21 ZINC000587222970 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c21 ZINC000587222971 KK Annotated Clean N#Cc1nc(Cl)cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222976 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587222977 KK Annotated Mild O=C(N[C@@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223007 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223009 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CCCCNC(C)=O)NC(C)=O)[nH]c3cc21 ZINC000587223274 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)[nH]c3cc21 ZINC000587223275 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCCNC(C)=O)NC(C)=O)[nH]c3cc21 ZINC000587223278 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)[nH]c3cc21 ZINC000587223279 KK Annotated Clean COc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587223289 KK Annotated Anodyne COc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Cl ZINC000587223292 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587223344 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587223349 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587223360 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587223362 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587223394 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587223395 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CCCC1 ZINC000587223432 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)C1CCCC1 ZINC000587223433 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3cc21 ZINC000587223440 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3cc21 ZINC000587223441 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223478 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223480 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223529 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223533 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587223566 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587223571 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587223603 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2nc(Br)c[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587223607 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223637 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223641 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223657 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223659 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C1CCCC1 ZINC000587223662 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C1CCCC1 ZINC000587223664 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1OC ZINC000587223666 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1OC ZINC000587223667 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587223668 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587223669 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587223674 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587223675 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223684 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223685 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223686 KK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223687 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587223699 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587223701 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223707 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587223709 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1 ZINC000587223711 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1ccccc1 ZINC000587223713 KK Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587223743 KK Annotated Reactive C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587223744 KK Annotated Reactive C[C@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587223841 KK Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587223843 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587223936 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587223940 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587223951 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587223954 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587223965 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587223967 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587223995 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587223996 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587224018 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587224021 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587224036 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587224040 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587224043 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587224045 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587224071 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587224074 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587224075 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587224076 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587224077 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587224078 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587224090 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587224091 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587224092 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587224093 KK Annotated Mild COC(=O)c1ccnc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587224098 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587224099 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224172 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224175 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224184 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224187 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224188 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224190 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224208 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224210 KK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224217 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224218 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224229 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224230 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000587224236 KK Annotated Clean O=C(N[C@@H](c1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCC1c2ccccc2-c2ccccc21 ZINC000587224248 KK Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224254 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cncc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224255 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587224257 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587224260 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587224266 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587224267 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNC(=O)c3ccc(NC(=O)OCC)cc3)[nH]c2cc1Br ZINC000587224271 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C1CCCC1 ZINC000587224274 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)C1CCCC1 ZINC000587224281 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224315 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224316 KK Annotated Bother CCCCCOc1cc2nc(CNC(=O)c3ccc(NC(=O)OCC)cc3)[nH]c2cc1Br ZINC000587224331 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224383 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224384 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)cc1 ZINC000587224387 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)cc1 ZINC000587224390 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587224392 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)OCC1c2ccccc2-c2ccccc21 ZINC000587224396 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)cc1N ZINC000587224401 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)cc1N ZINC000587224405 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OCC(=O)NC(C)C)c(OC)c3)[nH]c21 ZINC000587224656 KK Annotated Clean CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587224691 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587224694 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587224697 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587224703 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587224704 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587224707 KK Annotated Clean COC(=O)c1ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587224740 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587224741 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587224770 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587224772 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587224785 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587224791 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587224833 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587224841 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587224863 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587224864 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587224872 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587224873 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587224874 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587224878 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587224879 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587224880 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(I)cnc2[nH]1 ZINC000587224911 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224914 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(I)cnc2[nH]1 ZINC000587224915 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224918 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587224923 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587224926 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587224936 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587224939 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224940 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224941 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224944 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(I)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224946 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224957 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224958 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224991 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224992 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224998 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587224999 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587225013 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2n1 ZINC000587225014 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587225017 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587225018 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225026 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225027 KK Annotated Anodyne Cc1cc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587225032 KK Annotated Bother Cc1cc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2cc1[N+](=O)[O-] ZINC000587225035 KK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225060 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225062 KK Annotated Anodyne N#Cc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587225068 KK Annotated Mild N#Cc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587225071 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)[C@H](C)Oc4ccccc4)[nH]c3cc21 ZINC000587225080 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)[C@@H](C)Oc4ccccc4)[nH]c3cc21 ZINC000587225085 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OCC(=O)NC(C)C)c(OC)c4)[nH]c3cc21 ZINC000587225210 KK Annotated Clean CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(Br)c2[nH]1 ZINC000587225274 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccnc(Br)c2[nH]1 ZINC000587225278 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(Br)c2[nH]1 ZINC000587225282 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(Br)c2[nH]1 ZINC000587225283 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587225284 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587225288 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587225290 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587225292 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587225298 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587225302 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587225303 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 ZINC000587225305 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225313 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225318 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cn1 ZINC000587225333 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cn1 ZINC000587225335 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587225350 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587225352 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587225366 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225367 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225370 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587225372 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587225386 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000587225389 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 ZINC000587225394 KK Annotated Reactive CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587225412 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225415 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225417 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)cc1 ZINC000587225421 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)OCC4c5ccccc5-c5ccccc54)c4ccccc4)[nH]c3c2)cc1 ZINC000587225433 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225442 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225445 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225446 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225447 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587225448 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587225450 KK Annotated Anodyne COC(=O)c1ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587225455 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587225456 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225466 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225469 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587225480 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587225508 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225511 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587225513 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225515 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225520 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(Br)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225521 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587225522 KK Annotated Mild Cc1cnc(Cl)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587225523 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587225528 KK Annotated Mild O=C(N[C@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225530 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225532 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587225543 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 ZINC000587225544 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587225549 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587225556 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587225563 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587225566 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1CCCC1 ZINC000587225609 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)C1CCCC1 ZINC000587225610 KK Annotated Anodyne COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1OCC(=O)NC(C)C ZINC000587225619 KK Annotated Bother CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587225675 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)[C@H](C)Oc3ccccc3)[nH]c21 ZINC000587225742 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)[C@@H](C)Oc3ccccc3)[nH]c21 ZINC000587225743 KK Annotated Clean CCOC(=O)CNc1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587225800 KK Annotated Clean O=C(N[C@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225810 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225811 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225819 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225821 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225823 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225824 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2cc1OC ZINC000587225850 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2cc1OC ZINC000587225851 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225862 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225863 KK Annotated Anodyne CCCOc1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587225868 KK Annotated Anodyne CCCOc1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587225870 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587225872 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225874 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c12 ZINC000587225876 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587225880 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)nc2[nH]1 ZINC000587225884 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)nc2[nH]1 ZINC000587225885 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587225898 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225902 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225903 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587225907 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587225910 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587225911 KK Annotated Anodyne Cc1nc2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2cc1Br ZINC000587225914 KK Annotated Anodyne Cc1nc2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2cc1Br ZINC000587225916 KK Annotated Anodyne COC(=O)c1cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587225917 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587225919 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587225921 KK Annotated Anodyne Cc1c(Br)cc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1C ZINC000587225939 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225943 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225946 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587225957 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)nc2c1 ZINC000587225960 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587225961 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587225964 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587225967 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225970 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225971 KK Annotated Bother O=C(N[C@@H](c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225974 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225975 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587225978 KK Annotated Anodyne Cc1cc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587225989 KK Annotated Bother Cc1cc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587225990 KK Annotated Bother O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225993 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587225996 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226001 KK Annotated Anodyne COC(=O)c1cccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587226004 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)cc1 ZINC000587226005 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3c2)cc1 ZINC000587226009 KK Annotated Anodyne O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587226011 KK Annotated Anodyne O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)OCC1c2ccccc2-c2ccccc21 ZINC000587226016 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587226019 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2c1 ZINC000587226021 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587226029 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587226032 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(I)c2[nH]1 ZINC000587226035 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(I)c2[nH]1 ZINC000587226037 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587226038 KK Annotated Anodyne CC(C)Oc1cc2nc([C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc3)[nH]c2cc1Br ZINC000587226043 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587226063 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587226064 KK Annotated Anodyne CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587226136 KK Annotated Reactive CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587226400 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587226408 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587226410 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587226416 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587226417 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587226422 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587226433 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587226434 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587226450 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587226454 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587226493 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587226495 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587226515 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587226517 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587226519 KK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587226523 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587226542 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587226545 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587226549 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587226555 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNC(=O)[C@@H](C)Oc4ccccc4)[nH]c3cc21 ZINC000587226557 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CNC(=O)[C@H](C)Oc4ccccc4)[nH]c3cc21 ZINC000587226564 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587226592 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587226595 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c21 ZINC000587226606 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c21 ZINC000587226609 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNC(=O)CNC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587226628 KK Annotated Clean COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1OCC(=O)NC(C)C ZINC000587226652 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](NC(=O)OC(C)(C)C)C5CCCC5)[nH]c4c3)cc2)CC1 ZINC000587226769 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@H](NC(=O)OC(C)(C)C)C5CCCC5)[nH]c4c3)cc2)CC1 ZINC000587226770 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnc3ccccc3c2[nH]1 ZINC000587226844 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cnc3ccccc3c2[nH]1 ZINC000587226847 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587226863 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c32)n1 ZINC000587226872 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587226888 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587226889 KK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587226894 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587226895 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587226915 KK Annotated Bother CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587226916 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587226926 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587226933 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587226941 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587226942 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587226944 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587226945 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587226957 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587226959 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587226968 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587226970 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587226971 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2c(S)nc(S)nc2[nH]1 ZINC000587226973 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587226983 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587226984 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587226994 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587226995 KK Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587227036 KK Annotated Reactive CC(C)(C)OC(=O)N[C@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C1CCCC1 ZINC000587227238 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C1CCCC1 ZINC000587227241 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C1CCCC1 ZINC000587227243 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C1CCCC1 ZINC000587227246 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587227256 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587227275 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587227322 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587227323 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587227339 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 ZINC000587227340 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587227348 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587227349 KK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc3ncccc3c2[nH]1 ZINC000587227359 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc3ncccc3c2[nH]1 ZINC000587227361 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587227362 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587227363 KK Annotated Anodyne CC1=C(c2ccc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587227371 KK Annotated Anodyne CC1=C(c2ccc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587227373 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587227394 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587227396 KK Annotated Mild CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587227419 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587227420 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587227499 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1Br ZINC000587227500 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3cc21 ZINC000587227527 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](NC(=O)OC(C)(C)C)C4CCCC4)[nH]c3cc21 ZINC000587227528 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c21 ZINC000587227572 KK Annotated Clean CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587227619 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587227620 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587227626 KK Annotated Anodyne Cc1c(Br)ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587227628 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587227629 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587227630 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587227637 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587227638 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587227639 KK Annotated Reactive CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587227640 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587227648 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](CCCC(C)C)NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587227653 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587227663 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587227664 KK Annotated Bother CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587227669 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587227675 KK Annotated Anodyne CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587227689 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587227690 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587227699 KK Annotated Mild CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587227700 KK Annotated Anodyne CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587227702 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587227704 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](CCCC(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587227707 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNC(=O)Cc3ccccc3)[nH]c21 ZINC000587227889 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNC(=O)OCc3ccccc3)[nH]c21 ZINC000587227938 KK Annotated Clean CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587227990 KK Annotated Reactive CCCCCCCC(=O)NCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587228071 KK Annotated Mild CCCCCCCCOc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1Br ZINC000587228074 KK Annotated Mild CCCCCCCC(=O)NCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587228168 KK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587228313 KK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587228343 KK Annotated Mild COc1ccc(C)cc1NCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587228448 KK Annotated Anodyne COc1ccc(C)cc1NCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587228462 KK Annotated Reactive CCCCCCCC(=O)NCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587228509 KK Annotated Mild CCCCCCCC(=O)NCCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587228557 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNC(=O)Cc4ccccc4)[nH]c3cc21 ZINC000587228588 KK Annotated Clean CCCCCCCC(=O)NCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587228606 KK Annotated Reactive O=C(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 ZINC000587228633 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCNC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587228741 KK Annotated Anodyne O=C(NCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)OCc1ccccc1 ZINC000587228861 KK Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587228892 KK Annotated Anodyne CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587228895 KK Annotated Clean COc1ccc(C)cc1NCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587228988 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCNc4cc(C)ccc4OC)[nH]c3cc21 ZINC000587229099 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCNc3cc(C)ccc3OC)[nH]c21 ZINC000587229101 KK Annotated Clean COc1ccc(C)cc1NCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587229131 KK Annotated Bother CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C2CC2)n1 ZINC000587229139 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587229164 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c(C2CC2)n1 ZINC000587229165 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 ZINC000587229187 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(CNC(=O)OC(C)(C)C)nc5C5CC5)[nH]c4c3)o2)cc1 ZINC000587229192 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587229219 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccnc4NCc4ccccc4)[nH]c3cc21 ZINC000587229224 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c3cc21 ZINC000587229231 KK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C2CC2)n1 ZINC000587229266 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 ZINC000587229291 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C2CC2)n1 ZINC000587229299 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c3c2)cc1 ZINC000587229324 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccnc3NCc3ccccc3)nc1-2 ZINC000587229327 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587229413 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587229432 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1 ZINC000587229457 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Br ZINC000587229479 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c21 ZINC000587229504 KK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(C2CC2)n1 ZINC000587229508 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(C2CC2)n1 ZINC000587229523 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587229580 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1 ZINC000587229586 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccnc3NCc3ccccc3)[nH]c21 ZINC000587229614 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(CNc5ncccc5C#N)c4)[nH]c3cc21 ZINC000587229624 KK Annotated Mild CCCCOc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587229649 KK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587229665 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c21 ZINC000587229666 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c21 ZINC000587229826 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587229880 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587229882 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587229883 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c2cc1Br ZINC000587229884 KK Annotated Mild CCCOc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587229901 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 ZINC000587229914 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587229932 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587229939 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C2CC2)n1 ZINC000587229951 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587229961 KK Annotated Mild CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C2CC2)n1 ZINC000587229976 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587230167 KK Annotated Clean CC(C)CCOc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Br ZINC000587230172 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587230233 KK Annotated Mild O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587230254 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587230261 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587230269 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587230288 KK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Br ZINC000587230297 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2cc1Br ZINC000587230326 KK Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587230328 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c3cc21 ZINC000587230343 KK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C2CC2)n1 ZINC000587230352 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C2CC2)n1 ZINC000587230360 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587230384 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccnc4NCc4ccccc4)[nH]c3cc21 ZINC000587230400 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230403 KK Annotated Anodyne CCNC(=O)CCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587230437 KK Annotated Clean COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587230536 KK Annotated Reactive COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587230538 KK Annotated Reactive COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587230539 KK Annotated Reactive COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587230541 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c21 ZINC000587230564 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCCC[C@H]3C(=O)NCCOC)[nH]c21 ZINC000587230565 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c21 ZINC000587230566 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCC[C@@H]3C(=O)NCCOC)[nH]c21 ZINC000587230567 KK Annotated Clean CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230616 KK Annotated Reactive CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587230627 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 ZINC000587230673 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587230687 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C2CC2)n1 ZINC000587230718 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230730 KK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587230737 KK Annotated Reactive O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587230740 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C2CC2)n1 ZINC000587230792 KK Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587230846 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Br ZINC000587230906 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587230915 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587231053 KK Annotated Bother O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587231069 KK Annotated Clean CCNC(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587231084 KK Annotated Clean O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587231088 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587231220 KK Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587231237 KK Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587231310 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c21 ZINC000587231314 KK Annotated Clean N#Cc1cccnc1NCc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587231328 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3cccc(CNc4ncccc4C#N)c3)[nH]c2cc1Br ZINC000587231330 KK Annotated Mild CCCCCOc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Br ZINC000587231361 KK Annotated Anodyne CCCCCOc1cc2nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587231405 KK Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587231422 KK Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587231427 KK Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587231430 KK Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587231432 KK Annotated Anodyne CCCCOc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Br ZINC000587231438 KK Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587231472 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(CNc5ncccc5C#N)c4)[nH]c3cc21 ZINC000587231484 KK Annotated Mild COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587231486 KK Annotated Reactive CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C2CC2)n1 ZINC000587231624 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587231651 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c3c2)cc1 ZINC000587231661 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587231719 KK Annotated Anodyne N#Cc1cccnc1NCc1cccc(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587231723 KK Annotated Mild N#Cc1cccnc1NCc1cccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587231725 KK Annotated Mild CCCCCCCCOc1cc2nc(CCC(=O)Nc3cccc(C(=O)NCCOC)c3)[nH]c2cc1Br ZINC000587231759 KK Annotated Mild COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587231812 KK Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587231814 KK Annotated Anodyne COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587231815 KK Annotated Anodyne COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587231817 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C2CC2)n1 ZINC000587231835 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4NCCNc4ccccc4C(=O)O)[nH]c3cc21 ZINC000587231854 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2c1 ZINC000587231868 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 ZINC000587231882 KK Annotated Reactive O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587231885 KK Annotated Anodyne O=C(O)c1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587231950 KK Annotated Bother CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587231958 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)[nH]c21 ZINC000587231965 KK Annotated Clean CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2)c1 ZINC000587231988 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c3cc21 ZINC000587232015 KK Annotated Anodyne CC(C)COc1cc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2cc1Br ZINC000587232023 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)nc1-2 ZINC000587232030 KK Annotated Anodyne O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587232033 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCC[C@H]4C(=O)NCCOC)[nH]c3cc21 ZINC000587232112 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCCC[C@H]4C(=O)NCCOC)[nH]c3cc21 ZINC000587232113 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCCC[C@@H]4C(=O)NCCOC)[nH]c3cc21 ZINC000587232114 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCC[C@@H]4C(=O)NCCOC)[nH]c3cc21 ZINC000587232115 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c21 ZINC000587232152 KK Annotated Clean CCCCCOc1cc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2cc1Br ZINC000587232192 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccc(CNC(=O)OC(C)(C)C)nc4C4CC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587232204 KK Annotated Anodyne CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587232311 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(CNCc4ccco4)cc3)nc21 ZINC000587232374 KK Annotated Clean CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5ccc(CNC(=O)OC(C)(C)C)nc5C5CC5)[nH]c4c3)cc2)CC1 ZINC000587232395 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)Nc4cccc(C(=O)NCCOC)c4)[nH]c3cc21 ZINC000587232565 KK Annotated Clean CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c1 ZINC000587232620 KK Annotated Bother CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2)c1 ZINC000587232624 KK Annotated Anodyne CNC(=O)c1cccc(-c2cccc(Cc3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)c1 ZINC000587232629 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 ZINC000587232634 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(-c5cccc(C(=O)NC)c5)c4)[nH]c3cc21 ZINC000587232636 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3cc21 ZINC000587232677 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2cc1Br ZINC000587232690 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(CNCc5ccco5)cc4)nc3cc21 ZINC000587232695 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232739 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232784 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c21 ZINC000587232811 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5cccc(NC)c5)c4)[nH]c3cc21 ZINC000587232813 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587232835 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1Br ZINC000587232858 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c21 ZINC000587232879 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H]4CCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587232886 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587232957 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587233051 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587233235 KK Annotated Clean CNc1cccc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c1 ZINC000587233251 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587233263 KK Annotated Clean CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587233376 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587233395 KK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)c1 ZINC000587233568 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587233571 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587233681 KK Annotated Bother CCCCCCCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Br ZINC000587233733 KK Annotated Mild CC(C)(C)OC(=O)NC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCC(=O)CC1 ZINC000587233740 KK Annotated Bother CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587233950 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c21 ZINC000587233968 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587234040 KK Annotated Anodyne CC(=O)NC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCC(C)CC1 ZINC000587234132 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587234207 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587234256 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c3cc21 ZINC000587234427 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(=O)CC1 ZINC000587234536 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(NC(C)=O)CCC(C)CC4)[nH]c3cc21 ZINC000587234610 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(NC(C)=O)CCC(C)CC3)[nH]c21 ZINC000587234626 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cccc(-c4cccc(NC)c4)c3)[nH]c2cc1Br ZINC000587234704 KK Annotated Mild CC(=O)NC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CCC(C)CC1 ZINC000587234755 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(NC(=O)OC(C)(C)C)CCC(=O)CC5)[nH]c4c3)o2)cc1 ZINC000587234795 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCC(=O)CC1 ZINC000587234885 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c3cc21 ZINC000587234919 KK Annotated Clean CC(C)(C)OC(=O)NC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCC(O)CC1 ZINC000587234927 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c21 ZINC000587234963 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587235194 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c21 ZINC000587235230 KK Annotated Clean CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587235265 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587235379 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587235413 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(I)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235429 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(I)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235434 KK Annotated Anodyne COC(=O)c1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235436 KK Annotated Anodyne COC(=O)c1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235440 KK Annotated Anodyne CC(C)Oc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587235442 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235445 KK Annotated Bother O=C(N[C@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235449 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235452 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235453 KK Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587235460 KK Annotated Anodyne COC(=O)c1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587235462 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587235464 KK Annotated Mild O=C(N[C@@]1(c2nc3cc(Cl)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235468 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235470 KK Annotated Anodyne O=C1CCc2cc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3cc2N1 ZINC000587235472 KK Annotated Anodyne O=C1CCc2cc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3cc2N1 ZINC000587235474 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235478 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235480 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235481 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235483 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235486 KK Annotated Anodyne Cc1cc(Cl)cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235491 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235495 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235500 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235502 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235505 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235506 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(F)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235510 KK Annotated Anodyne O=C(NC1(c2nc3ccnc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235513 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235514 KK Annotated Anodyne NC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235515 KK Annotated Anodyne NC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235520 KK Annotated Anodyne N#Cc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235523 KK Annotated Mild N#Cc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235525 KK Annotated Mild N=c1[nH]c2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc-2c(Cl)[nH]1 ZINC000587235527 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235533 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235534 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235536 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccnc(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235537 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccnc(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235538 KK Annotated Anodyne CC(C)(C)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587235545 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(O)ncnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235556 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(O)ncnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235562 KK Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235564 KK Annotated Anodyne O=C(NC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235569 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@H]4C(=O)NC)[nH]c3cc21 ZINC000587235571 KK Annotated Clean O=C(N[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235572 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]4C(=O)NC)[nH]c3cc21 ZINC000587235575 KK Annotated Clean O=C(N[C@@]1(c2nc3cc(Br)cc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235577 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235578 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@H]4C(=O)NC)[nH]c3cc21 ZINC000587235579 KK Annotated Clean O=C(N[C@@]1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235580 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@H]4C(=O)NC)[nH]c3cc21 ZINC000587235581 KK Annotated Clean O=C(NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235583 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235589 KK Annotated Anodyne O=C(NC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235592 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235593 KK Annotated Bother O=C(N[C@@]1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235594 KK Annotated Bother O=C(NC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235596 KK Annotated Anodyne O=C(NC1(c2nc3ccnc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235599 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235601 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235604 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235607 KK Annotated Anodyne Cc1cc(F)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235610 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235614 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235619 KK Annotated Anodyne O=C(NC1(c2nc3nc(Br)c[nH]c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235621 KK Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1OC ZINC000587235623 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235628 KK Annotated Anodyne COc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587235629 KK Annotated Anodyne COc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587235630 KK Annotated Anodyne CC(C)CCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587235631 KK Annotated Anodyne COc1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235636 KK Annotated Anodyne COc1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235639 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235643 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235648 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235652 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235657 KK Annotated Anodyne COC(=O)c1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cn1 ZINC000587235661 KK Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cn1 ZINC000587235664 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235668 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235669 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235672 KK Annotated Bother O=C(N[C@@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235688 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235692 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235694 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235701 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235703 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235704 KK Annotated Anodyne CC(C)Oc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235705 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Cl ZINC000587235706 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cnc4ccccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235707 KK Annotated Anodyne O=C(N[C@]1(c2nc3cnc4ccccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235708 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235709 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235710 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235711 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235712 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCCC[C@H]4NC(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587235736 KK Annotated Clean O=C(N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235878 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235879 KK Annotated Anodyne Cc1cc(C)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235880 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235891 KK Annotated Anodyne CCOC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235893 KK Annotated Anodyne O=C(NC1(c2nc3cc(I)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235895 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)CC1 ZINC000587235903 KK Annotated Anodyne CN1CCN(c2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)CC1 ZINC000587235905 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235908 KK Annotated Bother O=C(N[C@@]1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235917 KK Annotated Bother Cc1cc(Br)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235919 KK Annotated Anodyne Cc1cc(Br)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587235923 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235926 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c32)n1 ZINC000587235929 KK Annotated Anodyne Cc1ccc2c(ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c32)n1 ZINC000587235930 KK Annotated Anodyne O=C(NC1(c2nc3cccc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235931 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235932 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235933 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235934 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(F)cc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235935 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)cc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235936 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235937 KK Annotated Anodyne O=C(NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235939 KK Annotated Clean O=C(N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235940 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Br)ccc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235941 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235942 KK Annotated Anodyne O=C(NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235943 KK Annotated Reactive O=C(NC1(c2nc3c(O)nc(S)nc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235944 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235945 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235946 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)ncnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235947 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(CCO)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235948 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(CCO)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235949 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235950 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235951 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(F)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235953 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235954 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c21 ZINC000587235955 KK Annotated Clean O=C(NC1(c2nc3c(F)cnc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235956 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235959 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235960 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587235961 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587235962 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235963 KK Annotated Anodyne CC(C)(C)c1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235964 KK Annotated Anodyne O=C(NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235965 KK Annotated Anodyne O=C(NC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235966 KK Annotated Anodyne O=C(N[C@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235967 KK Annotated Anodyne O=C(N[C@@]1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235968 KK Annotated Anodyne O=C(NC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235969 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235970 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235971 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587235972 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)cc1 ZINC000587235973 KK Annotated Clean O=C(NC1(c2nc3ccc4ncccc4c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235976 KK Annotated Anodyne CS(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235977 KK Annotated Anodyne CS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587235978 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(I)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235979 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(I)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235980 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587235981 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587235983 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587235984 KK Annotated Anodyne Nc1nccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235985 KK Annotated Anodyne Nc1nccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235986 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235988 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235989 KK Annotated Anodyne Cc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Cl ZINC000587235991 KK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Cl ZINC000587235992 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Cl)ccnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235993 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Cl)ccnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587235994 KK Annotated Anodyne N#Cc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587235997 KK Annotated Mild N#Cc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C(F)(F)F ZINC000587235998 KK Annotated Mild Cc1cc(Br)cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587235999 KK Annotated Anodyne Cc1cc(Br)cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236002 KK Annotated Anodyne CC(C)COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587236004 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236006 KK Annotated Bother O=C(N[C@]1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236007 KK Annotated Bother O=C(N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236009 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236010 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)nc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236012 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236014 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236017 KK Annotated Anodyne COC(=O)c1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2cc1OC ZINC000587236018 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236019 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)ncc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236023 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236024 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236026 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236027 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587236063 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCC(=O)CC1 ZINC000587236084 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Br ZINC000587236093 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587236114 KK Annotated Reactive CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)c1 ZINC000587236145 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236216 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236217 KK Annotated Anodyne COc1nccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236218 KK Annotated Anodyne COc1nccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236219 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236220 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236221 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236222 KK Annotated Anodyne O=C(N[C@@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236223 KK Annotated Anodyne O=C(N[C@]1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236224 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236225 KK Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1OC ZINC000587236226 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1OC ZINC000587236227 KK Annotated Anodyne Nc1ccnc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236228 KK Annotated Anodyne Nc1ccnc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236229 KK Annotated Anodyne Cc1c(F)ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236231 KK Annotated Anodyne Cc1c(F)ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236232 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236233 KK Annotated Bother O=C(N[C@@]1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236234 KK Annotated Bother O=C1COc2cc3[nH]c([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)nc3cc2N1 ZINC000587236235 KK Annotated Anodyne O=C1COc2cc3[nH]c([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)nc3cc2N1 ZINC000587236236 KK Annotated Anodyne Cc1ccnc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236237 KK Annotated Anodyne Cc1ccnc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236238 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587236239 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236240 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236241 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236243 KK Annotated Mild CC(C)Oc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236244 KK Annotated Anodyne CC(C)Oc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236245 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236246 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236247 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236248 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236249 KK Annotated Anodyne Cc1cc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587236250 KK Annotated Bother Cc1cc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2cc1[N+](=O)[O-] ZINC000587236251 KK Annotated Bother O=C(NC1(c2nc3cc4ccccc4cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236252 KK Annotated Anodyne O=C(NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236253 KK Annotated Anodyne CC(C)COc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236254 KK Annotated Anodyne CC(C)COc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236255 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236256 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236257 KK Annotated Anodyne O=C(NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236258 KK Annotated Bother O=C(NC1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236259 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236260 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236261 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236262 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236263 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236264 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236265 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236266 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236267 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236268 KK Annotated Anodyne NNC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236269 KK Annotated Reactive NNC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236270 KK Annotated Reactive Cc1cc(Cl)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587236271 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236272 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236273 KK Annotated Anodyne CC(C)Oc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236274 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236275 KK Annotated Anodyne Cc1ccc(C)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236276 KK Annotated Anodyne C=CCc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587236277 KK Annotated Mild Cc1cc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c(C)n1 ZINC000587236278 KK Annotated Anodyne Cc1cc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c(C)n1 ZINC000587236279 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236280 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c21 ZINC000587236281 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c21 ZINC000587236282 KK Annotated Clean O=C(NC1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236283 KK Annotated Anodyne O=C(NC1(c2nc3ccc(CCO)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236284 KK Annotated Anodyne COc1cncc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236285 KK Annotated Anodyne COc1cncc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236286 KK Annotated Anodyne O=C(NC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236287 KK Annotated Anodyne O=C(NC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236288 KK Annotated Bother O=C(NC1(c2nc3cncc([N+](=O)[O-])c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236289 KK Annotated Bother O=C(N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236290 KK Annotated Reactive O=C(N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236291 KK Annotated Reactive O=C(N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236292 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236293 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236294 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236295 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236298 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236299 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236300 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236301 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc4ccccc4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236302 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4ccccc4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236303 KK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C ZINC000587236304 KK Annotated Anodyne Cc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C ZINC000587236305 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236308 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236310 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236311 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236312 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236313 KK Annotated Anodyne O=C(NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236314 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@H]3C(=O)NC)[nH]c21 ZINC000587236363 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]3C(=O)NC)[nH]c21 ZINC000587236364 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@H]3C(=O)NC)[nH]c21 ZINC000587236365 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@H]3C(=O)NC)[nH]c21 ZINC000587236366 KK Annotated Clean CNc1cccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587236387 KK Annotated Reactive COC(=O)c1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587236415 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236416 KK Annotated Bother N#Cc1cc(Cl)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587236417 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587236418 KK Annotated Mild COc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cn1 ZINC000587236419 KK Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cn1 ZINC000587236420 KK Annotated Anodyne O=C(NC1(c2nc3cncc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236421 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236422 KK Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1OC ZINC000587236423 KK Annotated Anodyne COc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1OC ZINC000587236424 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236425 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236426 KK Annotated Anodyne O=C(NC1(c2nc3cncc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236427 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236428 KK Annotated Anodyne N#Cc1nc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2nc1C#N ZINC000587236429 KK Annotated Mild N#Cc1nc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2nc1C#N ZINC000587236430 KK Annotated Mild Cc1c(Cl)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587236431 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236432 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236433 KK Annotated Anodyne O=C(N[C@@]1(c2nc3nc(Br)c[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236434 KK Annotated Anodyne O=C(N[C@]1(c2nc3nc(Br)c[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236435 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236436 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236437 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587236439 KK Annotated Anodyne CCCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587236440 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236441 KK Annotated Mild N#Cc1nc(Cl)cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236442 KK Annotated Mild O=C(NC1(c2nc3ccc(F)c(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236443 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3cc21 ZINC000587236446 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3cc21 ZINC000587236449 KK Annotated Anodyne NNC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236451 KK Annotated Reactive Cc1cncc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236454 KK Annotated Anodyne Cc1cncc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236458 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236461 KK Annotated Bother O=C(N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236464 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236465 KK Annotated Anodyne O=C(NC1(c2nc3cccc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236473 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4cn[nH]c4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236474 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc4cn[nH]c4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236476 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236480 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236481 KK Annotated Anodyne O=C(NC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236486 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236488 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236489 KK Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236491 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236494 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236499 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236501 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236511 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236514 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236521 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236528 KK Annotated Bother O=C(NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236531 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236534 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236549 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236551 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236558 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236562 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Cl)nc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236567 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236571 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236577 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236578 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236583 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236588 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236593 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236597 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236608 KK Annotated Bother O=C(N[C@@]1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236610 KK Annotated Bother O=C(NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236611 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(F)cnc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236614 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(F)cnc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236615 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236616 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236617 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236618 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587236623 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)cc1N ZINC000587236630 KK Annotated Anodyne CSc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236631 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236633 KK Annotated Bother O=C(N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236635 KK Annotated Bother N#Cc1nc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2nc1C#N ZINC000587236636 KK Annotated Mild O=C(N[C@@]1(c2nc3cncc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236642 KK Annotated Anodyne O=C(N[C@]1(c2nc3cncc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236644 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236645 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236646 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Br)c(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236647 KK Annotated Anodyne CCCOc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236648 KK Annotated Anodyne CCCOc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236649 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236650 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236651 KK Annotated Anodyne CC1=C(c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)NNC(=O)C1 ZINC000587236652 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236654 KK Annotated Anodyne O=C(NC1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236657 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1C ZINC000587236658 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccnc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236659 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(O)CC1 ZINC000587236709 KK Annotated Reactive Cc1ccc(NC2(c3nc4c(N)nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc4[nH]3)CCCC2)cc1 ZINC000587236712 KK Annotated Anodyne CNc1cccc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)c1 ZINC000587236760 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccnc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236801 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)cc1 ZINC000587236802 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236803 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236804 KK Annotated Bother O=C(N[C@@]1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236805 KK Annotated Bother O=C(N[C@@]1(c2nc3ccc(Cl)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236806 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Cl)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236807 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Br)ccnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236808 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Br)ccnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236809 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236810 KK Annotated Anodyne Cc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1C ZINC000587236811 KK Annotated Anodyne Cc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1C ZINC000587236812 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236813 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236814 KK Annotated Anodyne O=C(NC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236815 KK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Cl ZINC000587236817 KK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587236818 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236820 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236821 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236822 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(CO)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236824 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(CO)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236825 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2cc1OC ZINC000587236827 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2cc1OC ZINC000587236828 KK Annotated Anodyne CCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587236829 KK Annotated Anodyne N#Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1C(F)(F)F ZINC000587236830 KK Annotated Mild O=C(N[C@]1(c2nc3ccc(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236831 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236832 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236833 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236834 KK Annotated Anodyne Cc1nc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2cc1Br ZINC000587236835 KK Annotated Anodyne Nc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1N ZINC000587236836 KK Annotated Anodyne Nc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1N ZINC000587236837 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCCc6ccccc65)[nH]c4c3)o2)cc1 ZINC000587236838 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@]5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCCc6ccccc65)[nH]c4c3)o2)cc1 ZINC000587236839 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236840 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236841 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236842 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236843 KK Annotated Anodyne N#Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1C#N ZINC000587236844 KK Annotated Mild CCOC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236845 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236846 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4c(cc3[nH]2)OCO4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236847 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc4c(cc3[nH]2)OCO4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236848 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3cc21 ZINC000587236849 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3cc21 ZINC000587236850 KK Annotated Clean O=C(N[C@@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236851 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236852 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236853 KK Annotated Anodyne CCCCCOc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236854 KK Annotated Anodyne CCCCCOc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587236855 KK Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C ZINC000587236856 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236857 KK Annotated Anodyne COc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C ZINC000587236859 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236861 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236864 KK Annotated Anodyne CC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236865 KK Annotated Anodyne CC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236868 KK Annotated Anodyne CC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587236870 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236872 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(F)c(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236874 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587236875 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236878 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236881 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236884 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236885 KK Annotated Anodyne CN1CCN(c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)CC1 ZINC000587236886 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236887 KK Annotated Anodyne N#Cc1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236888 KK Annotated Mild N#Cc1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587236889 KK Annotated Mild NS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236890 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Cl)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236891 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236892 KK Annotated Anodyne O=C(NC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236893 KK Annotated Anodyne O=C(NC1(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236894 KK Annotated Bother O=C(NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236895 KK Annotated Bother O=C(N[C@]1(c2nc3cccc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236896 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236897 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3cc21 ZINC000587236899 KK Annotated Clean COc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236900 KK Annotated Anodyne COc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587236902 KK Annotated Anodyne N=c1[nH]c2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc-2c(Cl)[nH]1 ZINC000587236906 KK Annotated Anodyne N=c1[nH]c2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc-2c(Cl)[nH]1 ZINC000587236910 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236911 KK Annotated Bother O=C(NC1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236912 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236913 KK Annotated Bother O=C(N[C@@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236915 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236917 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236918 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)cc1 ZINC000587236919 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236920 KK Annotated Anodyne COc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587236922 KK Annotated Anodyne O=C(NC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236925 KK Annotated Anodyne O=C1CCc2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3cc2N1 ZINC000587236927 KK Annotated Anodyne COc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1F ZINC000587236928 KK Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1F ZINC000587236932 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236933 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236934 KK Annotated Anodyne CC(C)Oc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587236935 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c21 ZINC000587236937 KK Annotated Clean O=C(N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236940 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236943 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236946 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587236947 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587236948 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236953 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587236954 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587236955 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c21 ZINC000587236956 KK Annotated Clean O=C(NC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236960 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236963 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236967 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCC6(CC5)OCCO6)[nH]c4c3)o2)cc1 ZINC000587236969 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236971 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236974 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236975 KK Annotated Anodyne O=C(NC1(c2nc3ccnc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587236977 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587236978 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCC6(CC5)OCCO6)[nH]c4c3)cc2)CC1 ZINC000587236984 KK Annotated Anodyne O=C(NC1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236986 KK Annotated Anodyne CCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587236989 KK Annotated Anodyne O=C(NC1(c2nc3cc4cn[nH]c4cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587236992 KK Annotated Anodyne CCOC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587236995 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237004 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237013 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237015 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)cc1 ZINC000587237021 KK Annotated Anodyne Cc1c(Br)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1C ZINC000587237022 KK Annotated Anodyne O=C(NC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237023 KK Annotated Bother N#Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237026 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OC(C)(C)C)CCC(O)CC4)[nH]c3cc21 ZINC000587237028 KK Annotated Clean CC(C)(C)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237029 KK Annotated Anodyne O=C(NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237032 KK Annotated Bother CCOC(=O)Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237033 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237037 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237038 KK Annotated Anodyne O=C(NC1(c2nc3nc(Cl)c[nH]c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237046 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2c1 ZINC000587237052 KK Annotated Mild CC(C)(C)OC(=O)NC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCC(O)CC1 ZINC000587237054 KK Annotated Bother O=C(NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237055 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237058 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1 ZINC000587237059 KK Annotated Clean Nc1ccc(Oc2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1 ZINC000587237065 KK Annotated Clean O=C(N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237066 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237067 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587237068 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237069 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237070 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237071 KK Annotated Bother COC(=O)c1cc(Cl)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237072 KK Annotated Anodyne O=C(NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237073 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237074 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237075 KK Annotated Anodyne O=C(NC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237077 KK Annotated Anodyne Cc1cnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237078 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237080 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(I)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237082 KK Annotated Anodyne Cc1cc(C)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237083 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(I)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237084 KK Annotated Anodyne CN1CCN(c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)CC1 ZINC000587237085 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237086 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237087 KK Annotated Anodyne CC(C)COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587237088 KK Annotated Anodyne O=C(NC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237089 KK Annotated Anodyne N#Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1C(F)(F)F ZINC000587237090 KK Annotated Mild Cc1c(Br)ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237091 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237092 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237093 KK Annotated Bother Cc1c(Br)ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237094 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237096 KK Annotated Anodyne O=C(NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237097 KK Annotated Clean O=C(NC1(c2nc3cc(F)c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237098 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237099 KK Annotated Mild NS(=O)(=O)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237100 KK Annotated Anodyne CC(C)Oc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587237101 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237102 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c32)n1 ZINC000587237105 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc4ncccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237107 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc4ncccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237108 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1 ZINC000587237109 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237110 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1 ZINC000587237113 KK Annotated Anodyne Cc1cc(F)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237114 KK Annotated Anodyne O=C(NC1(c2nc3cncc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237115 KK Annotated Anodyne O=C(NC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237116 KK Annotated Bother O=C(NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237117 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587237120 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3cc21 ZINC000587237121 KK Annotated Clean COC(=O)c1ccnc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237122 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237123 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237124 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237125 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237127 KK Annotated Anodyne CN(C)CCOc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587237128 KK Annotated Anodyne O=C(NC1(c2nc3nc(Cl)c[nH]c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237129 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)cc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237130 KK Annotated Anodyne CC(C)(C)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237131 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)cc(F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237132 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237133 KK Annotated Bother COC(=O)c1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cn1 ZINC000587237134 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Cl)ncnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237135 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Cl)ncnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237136 KK Annotated Anodyne O=C(NC1(c2nc3cnc(Cl)[nH]c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237137 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237138 KK Annotated Bother O=C(N[C@]1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237139 KK Annotated Bother O=C(N[C@@]1(c2nc3ccc4c(c3[nH]2)CCCC4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237140 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237141 KK Annotated Anodyne C=CCc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237142 KK Annotated Mild O=C(N[C@]1(c2nc3ccc4c(c3[nH]2)CCCC4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237143 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cncc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237146 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237147 KK Annotated Anodyne O=C(N[C@]1(c2nc3cncc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237148 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Br)c(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237149 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237150 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Br)c(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237151 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237152 KK Annotated Anodyne Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc2cc1[N+](=O)[O-] ZINC000587237153 KK Annotated Bother O=C(N[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237155 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237156 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Br)cnc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237157 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237158 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237160 KK Annotated Anodyne COc1cc(OC)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237161 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237162 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237163 KK Annotated Anodyne CCCCOc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587237164 KK Annotated Anodyne CCCCOc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587237165 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237166 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237167 KK Annotated Anodyne C=CCc1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237168 KK Annotated Mild C=CCc1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237169 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3cc21 ZINC000587237170 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)ccnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237171 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCCCCCC5)[nH]c4c3)o2)cc1 ZINC000587237172 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237174 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc4c(cc3[nH]2)OCCO4)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237175 KK Annotated Anodyne Cc1nccc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237176 KK Annotated Anodyne Cc1nccc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237177 KK Annotated Anodyne Cc1cnc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237185 KK Annotated Anodyne Cc1cnc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237186 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cnc(Cl)[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237188 KK Annotated Anodyne O=C(N[C@]1(c2nc3cnc(Cl)[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237190 KK Annotated Anodyne O=C(NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237196 KK Annotated Anodyne Nc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cn1 ZINC000587237199 KK Annotated Anodyne Cc1c(Br)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237200 KK Annotated Anodyne Nc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cn1 ZINC000587237201 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587237202 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(I)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237203 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(I)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237204 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237205 KK Annotated Anodyne Cc1c(Cl)ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237207 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)ncc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237209 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237210 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237211 KK Annotated Anodyne O=C(NC1(c2nc3c(S)nc(S)nc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237214 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c21 ZINC000587237237 KK Annotated Clean O=C(NC1(c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237273 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OC(C)(C)C)CCC(O)CC4)[nH]c3cc21 ZINC000587237276 KK Annotated Anodyne O=C(NC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237301 KK Annotated Bother CS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237306 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)cc1 ZINC000587237307 KK Annotated Clean N#Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1C(F)(F)F ZINC000587237314 KK Annotated Mild COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1C ZINC000587237315 KK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1F ZINC000587237316 KK Annotated Anodyne O=C(NC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237318 KK Annotated Bother O=C(NC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237319 KK Annotated Clean O=C(NC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237321 KK Annotated Anodyne O=C(NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237322 KK Annotated Anodyne O=C(NC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237323 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237325 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587237328 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237329 KK Annotated Anodyne Cc1c(Cl)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237330 KK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1C ZINC000587237331 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(=O)O)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237332 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237333 KK Annotated Anodyne Nc1ccc(Oc2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)cc1 ZINC000587237335 KK Annotated Clean O=C(NC1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237336 KK Annotated Anodyne Cc1cc(Br)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237337 KK Annotated Anodyne CC1=C(c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)NNC(=O)C1 ZINC000587237338 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237339 KK Annotated Mild O=C(NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237340 KK Annotated Anodyne O=C(NC1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237342 KK Annotated Bother COC(=O)c1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c(F)c1Nc1ccccc1 ZINC000587237343 KK Annotated Anodyne O=C(NC1(c2nc3ccc(O)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237344 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(O)nc(S)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237345 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(O)nc(S)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237346 KK Annotated Anodyne O=C(NC1(c2nc3cc4nc5ccccc5nc4cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237347 KK Annotated Bother O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237348 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237349 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237350 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237351 KK Annotated Anodyne Cc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237352 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cnnc(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237353 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237354 KK Annotated Anodyne O=C(N[C@]1(c2nc3cnnc(O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237355 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237356 KK Annotated Anodyne O=C(NC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237358 KK Annotated Bother O=C(N[C@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237359 KK Annotated Bother O=C(N[C@@]1(c2nc3cccc([N+](=O)[O-])c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237360 KK Annotated Bother CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCC6(CC5)OCCO6)[nH]c4c3)cc2)CC1 ZINC000587237361 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(C(=O)O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237362 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(C(=O)O)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237363 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237364 KK Annotated Anodyne O=C1COc2cc3[nH]c(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)nc3cc2N1 ZINC000587237365 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)ccnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237366 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237368 KK Annotated Bother Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587237369 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237370 KK Annotated Bother O=C(NC1(c2nc3ccc(I)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237371 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237373 KK Annotated Anodyne O=C(NC1(c2nc3c4ccccc4c4ccccc4c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237374 KK Annotated Bother O=C(NC1(c2nc3c(F)cnc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237375 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(C(=O)O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237377 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(C(=O)O)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237378 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237380 KK Annotated Reactive O=C(NC1(c2nc3cccc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237381 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237382 KK Annotated Reactive O=C(NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237383 KK Annotated Anodyne CCc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237384 KK Annotated Anodyne CCc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237387 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 ZINC000587237388 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237390 KK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237391 KK Annotated Mild O=C(N[C@@]1(c2nc3c(S)nc(S)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237392 KK Annotated Anodyne N#Cc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C#N ZINC000587237393 KK Annotated Mild N#Cc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1C#N ZINC000587237394 KK Annotated Mild O=C(N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237395 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237396 KK Annotated Anodyne COC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587237398 KK Annotated Anodyne COC(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587237399 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587237400 KK Annotated Mild O=C(NC1(c2nc3cccc(I)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237401 KK Annotated Anodyne O=C(N[C@]1(c2nc3cccc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237403 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237404 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237405 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237406 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(=O)O)c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237407 KK Annotated Anodyne Cc1nc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2cc1Br ZINC000587237408 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCCc6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587237409 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237410 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@@]5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCCc6ccccc65)[nH]c4c3)cc2)CC1 ZINC000587237412 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3cc21 ZINC000587237413 KK Annotated Clean O=C(N[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237415 KK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Cl ZINC000587237416 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237417 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Br)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237419 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237420 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Br)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237421 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237422 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(F)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237423 KK Annotated Anodyne O=C(NC1(c2nc3ccc(F)c(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237424 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237425 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237426 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(F)cnc(Cl)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237428 KK Annotated Anodyne Cc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587237431 KK Annotated Anodyne CC(C)Oc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237432 KK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587237433 KK Annotated Anodyne O=C(NC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237434 KK Annotated Anodyne O=C(NC1(c2nc3ccc(I)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237437 KK Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2n1 ZINC000587237438 KK Annotated Anodyne O=C(NC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237440 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237441 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237443 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237445 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237447 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1F ZINC000587237449 KK Annotated Anodyne O=C(NC1(c2nc3cc4nc(O)[nH]c4cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237450 KK Annotated Anodyne O=C(NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237452 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Br)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237455 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Br)nc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237458 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237460 KK Annotated Anodyne CN(C)CCOc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237461 KK Annotated Anodyne COc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Cl ZINC000587237464 KK Annotated Anodyne COc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Cl ZINC000587237465 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237466 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237467 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237468 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Br)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237469 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237470 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237471 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237472 KK Annotated Anodyne O=C(NC1(c2nc3cnc4ccccc4c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237473 KK Annotated Anodyne O=C(N[C@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237477 KK Annotated Bother O=C(N[C@@]1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237478 KK Annotated Bother O=C(NC1(c2nc3ccc(-n4cnnn4)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237479 KK Annotated Anodyne Cc1nc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2cc1Br ZINC000587237481 KK Annotated Anodyne Cc1nc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2cc1Br ZINC000587237483 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237484 KK Annotated Anodyne O=C(N[C@]1(c2nc3cnc(C(F)(F)F)[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237486 KK Annotated Anodyne Cc1cc(Br)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c12 ZINC000587237488 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587237490 KK Annotated Mild O=C(NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237491 KK Annotated Reactive O=C(N[C@@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237492 KK Annotated Clean O=C(N[C@]1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237493 KK Annotated Clean O=C(NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237494 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237495 KK Annotated Anodyne O=C(NC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237500 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(Cl)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237501 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(Cl)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237502 KK Annotated Anodyne O=C(N[C@@]1(c2nc3nc(Cl)c[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237503 KK Annotated Anodyne O=C(N[C@]1(c2nc3nc(Cl)c[nH]c-3n2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237506 KK Annotated Anodyne Cc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1F ZINC000587237507 KK Annotated Anodyne Cc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1F ZINC000587237508 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)nc12 ZINC000587237512 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587237516 KK Annotated Mild Cc1c(Br)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1C ZINC000587237518 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(Nc5ccc(C)cc5)CCCC4)[nH]c3cc21 ZINC000587237522 KK Annotated Anodyne Cc1ccc(NC2(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CCCC2)cc1 ZINC000587237545 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(Nc5ccc(C)cc5)CCCC4)[nH]c3cc21 ZINC000587237570 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2cc1Br ZINC000587237601 KK Annotated Mild CC1=C(c2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587237602 KK Annotated Anodyne CC1=C(c2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)NNC(=O)C1 ZINC000587237603 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237604 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587237610 KK Annotated Anodyne CC(C)(C)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587237611 KK Annotated Anodyne Cc1c(Br)cc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1C ZINC000587237612 KK Annotated Anodyne Cc1c(Br)cc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1C ZINC000587237613 KK Annotated Anodyne Cc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587237614 KK Annotated Anodyne Cc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2n1 ZINC000587237615 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCO4)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237616 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1OC ZINC000587237617 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237618 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc2c1 ZINC000587237619 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237620 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587237621 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1N ZINC000587237622 KK Annotated Anodyne Nc1ccc(-c2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1N ZINC000587237623 KK Annotated Anodyne CCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2cc1Br ZINC000587237624 KK Annotated Anodyne O=C(N[C@@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237625 KK Annotated Anodyne O=C(N[C@]1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237626 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237627 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237628 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237629 KK Annotated Bother O=C(N[C@@]1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237630 KK Annotated Bother O=C(NC1(c2nc3cc(F)cc(C(=O)O)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237632 KK Annotated Anodyne O=C(NC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237633 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2n1 ZINC000587237634 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237635 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237636 KK Annotated Anodyne N=C(N)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237637 KK Annotated Anodyne N=C(N)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237638 KK Annotated Anodyne O=C(N[C@@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237639 KK Annotated Anodyne O=C(N[C@]1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237640 KK Annotated Anodyne O=C1CCc2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCCCCC4)[nH]c3cc2N1 ZINC000587237642 KK Annotated Anodyne Nc1ncnc2[nH]c([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237643 KK Annotated Anodyne Nc1ncnc2[nH]c([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)nc12 ZINC000587237644 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237645 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237646 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCCCCCC5)[nH]c4c3)cc2)CC1 ZINC000587237647 KK Annotated Anodyne O=C(NC1(c2nc3c(F)cnc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237650 KK Annotated Anodyne Cc1c(Br)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237652 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Cl)nc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237653 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237654 KK Annotated Anodyne O=C(NC1(c2nc3cncc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237655 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)O)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237656 KK Annotated Anodyne O=C(NC1(c2nc3cnc4ccccc4c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237659 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)ncc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237660 KK Annotated Anodyne O=C(NC1(c2nc3cccc(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237662 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237664 KK Annotated Anodyne O=C(NC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237665 KK Annotated Anodyne N#Cc1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237668 KK Annotated Mild Cc1c(Br)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c12 ZINC000587237669 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237670 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237671 KK Annotated Anodyne CC(C)COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587237672 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237673 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCCO4)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237674 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237675 KK Annotated Anodyne Cc1c(Br)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1C ZINC000587237676 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237677 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237678 KK Annotated Anodyne O=C(NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237679 KK Annotated Reactive O=C(NC1(c2nc3c(F)cnc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237680 KK Annotated Anodyne O=C(NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237682 KK Annotated Bother CC(C)CCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587237683 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237684 KK Annotated Anodyne CC(C)(C)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2n1 ZINC000587237685 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c32)n1 ZINC000587237686 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237688 KK Annotated Anodyne COC(=O)c1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2cc1OC ZINC000587237689 KK Annotated Anodyne O=C(NC1(c2nc3c4cccnc4c4ncccc4c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237691 KK Annotated Bother O=C(NC1(c2nc3cccc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237693 KK Annotated Anodyne O=C(NC1(c2nc3cccc(I)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237695 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)nc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237696 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237697 KK Annotated Bother O=C(NC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237698 KK Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1C ZINC000587237701 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237702 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237704 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237705 KK Annotated Anodyne O=C(NC1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237707 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237708 KK Annotated Bother COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Cl ZINC000587237709 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237711 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587237712 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCO4)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237713 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237714 KK Annotated Anodyne O=C(NC1(c2nc3ccc(I)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237715 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237716 KK Annotated Anodyne Cc1cncc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237717 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)ncc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237721 KK Annotated Anodyne O=C(NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237722 KK Annotated Anodyne O=C(NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237723 KK Annotated Anodyne O=C(NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237724 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237727 KK Annotated Anodyne CN(C)CCOc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237728 KK Annotated Anodyne O=C(NC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237729 KK Annotated Anodyne O=C(NC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237730 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237733 KK Annotated Anodyne CCCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587237734 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237736 KK Annotated Anodyne Cc1nc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2cc1Br ZINC000587237737 KK Annotated Anodyne Cc1c(F)ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237739 KK Annotated Anodyne COc1cc(OC)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237740 KK Annotated Anodyne CCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587237741 KK Annotated Anodyne COc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237742 KK Annotated Anodyne O=C(NC1(c2nc3cnc(Cl)[nH]c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237744 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237745 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237747 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237752 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Cl ZINC000587237754 KK Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)CCCC2)cc1 ZINC000587237777 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCC(O)CC1 ZINC000587237802 KK Annotated Anodyne Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CCCC2)cc1 ZINC000587237813 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237851 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237854 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237855 KK Annotated Anodyne CCCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587237856 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237857 KK Annotated Anodyne COC(=O)c1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587237858 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237861 KK Annotated Anodyne O=C(NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237862 KK Annotated Anodyne O=C(NC1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237863 KK Annotated Anodyne Cc1cc(Cl)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237864 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)ccnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237866 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)cc1N ZINC000587237870 KK Annotated Anodyne O=C(NC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237871 KK Annotated Anodyne CC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237872 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1OC ZINC000587237873 KK Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237875 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)ncnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237876 KK Annotated Anodyne O=C(NC1(c2nc3ccc4ncccc4c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237877 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237878 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237879 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587237880 KK Annotated Anodyne O=C(NC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237881 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCOCC5)[nH]c4c3)o2)cc1 ZINC000587237882 KK Annotated Anodyne Cc1cc(Br)cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237883 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OCCCO4)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237884 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237885 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237886 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237887 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237888 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237890 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)nc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237891 KK Annotated Anodyne O=C(NC1(c2nc3cccc(O)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237892 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237893 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(O)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237894 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587237895 KK Annotated Anodyne CN(C)CCOc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587237896 KK Annotated Anodyne O=C(NC1(c2nc3ccnc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237898 KK Annotated Anodyne CSc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237899 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237900 KK Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587237901 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587237903 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3cc21 ZINC000587237904 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1 ZINC000587237905 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)cc1 ZINC000587237906 KK Annotated Anodyne O=C(NC1(c2nc3nc(Br)c[nH]c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237908 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237909 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237910 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237912 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237913 KK Annotated Reactive O=C(NC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237914 KK Annotated Anodyne O=C(NC1(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237915 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)ccc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237917 KK Annotated Anodyne O=C(NC1(c2nc3ccc(CO)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237918 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237919 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237920 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237921 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237922 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237924 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587237925 KK Annotated Anodyne Cc1nccc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587237926 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587237927 KK Annotated Mild O=C(NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237929 KK Annotated Anodyne COC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1OC ZINC000587237930 KK Annotated Anodyne Cc1ccc(C)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587237931 KK Annotated Anodyne O=C(NC1(c2nc3ccnc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237932 KK Annotated Anodyne Cc1ccc2c(ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c32)n1 ZINC000587237933 KK Annotated Anodyne O=C(NC1(c2nc3cc(I)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237934 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237935 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3cc21 ZINC000587237937 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237938 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237939 KK Annotated Anodyne COc1cncc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587237940 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237942 KK Annotated Reactive O=C(NC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237943 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237944 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587237945 KK Annotated Anodyne O=C(NC1(c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587237946 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1F ZINC000587237947 KK Annotated Anodyne C=CCc1cccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587237976 KK Annotated Mild COc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237986 KK Annotated Bother COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237988 KK Annotated Anodyne COc1ccc(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237990 KK Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237994 KK Annotated Anodyne COc1ccc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237995 KK Annotated Anodyne COc1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587237998 KK Annotated Bother COc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238002 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(N)c4Nc4cc(C)cc(C)c4)[nH]c3cc21 ZINC000587238003 KK Annotated Clean COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1OC ZINC000587238004 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1OC ZINC000587238007 KK Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238013 KK Annotated Anodyne COc1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238024 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC ZINC000587238031 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587238036 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C)nc3[nH]2)cc1OC ZINC000587238037 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5(NC(=O)OCC6c7ccccc7-c7ccccc76)CCOCC5)[nH]c4c3)cc2)CC1 ZINC000587238038 KK Annotated Anodyne COc1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587238043 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1OC ZINC000587238047 KK Annotated Anodyne COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238055 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1OC ZINC000587238063 KK Annotated Clean COc1ccc(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238072 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587238075 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC ZINC000587238078 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1OC ZINC000587238081 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587238082 KK Annotated Reactive COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccnc(O)c3[nH]2)cc1OC ZINC000587238086 KK Annotated Anodyne O=C(NC1(c2nc3cc4ccccc4cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238091 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587238105 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(O)nc(S)nc3[nH]2)cc1OC ZINC000587238107 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c12 ZINC000587238109 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)ncc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238112 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238113 KK Annotated Anodyne O=C(NC1(c2nc3ccc(CCO)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238115 KK Annotated Anodyne O=C(NC1(c2nc3cccc(I)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238118 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cnc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238120 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc2c1 ZINC000587238122 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238128 KK Annotated Anodyne O=C(NC1(c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238130 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@@H]6CCCO[C@H]6C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587238132 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@@H]6CCCO[C@@H]6C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587238134 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@H]6CCCO[C@H]6C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587238136 KK Annotated Anodyne COc1ccc(-c2nc3ccc4ncccc4c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238137 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)ccnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238138 KK Annotated Anodyne CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@H]6CCCO[C@@H]6C5(C)C)[nH]c4c3)cc2)CC1 ZINC000587238139 KK Annotated Anodyne COc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238143 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238144 KK Annotated Bother O=C(NC1(c2nc3ccc(Br)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238145 KK Annotated Anodyne COc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cn1 ZINC000587238153 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238158 KK Annotated Anodyne COC(=O)c1cccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587238161 KK Annotated Anodyne O=C(NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238163 KK Annotated Anodyne Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2cc1[N+](=O)[O-] ZINC000587238165 KK Annotated Bother O=C(NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238175 KK Annotated Anodyne O=C(NC1(c2nc3cncc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238178 KK Annotated Anodyne CC(C)COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587238179 KK Annotated Anodyne CC(C)CCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587238180 KK Annotated Anodyne CC(C)COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587238181 KK Annotated Anodyne CC(C)COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587238182 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(Br)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238183 KK Annotated Anodyne CC(C)COc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587238184 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587238185 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@]4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCCc5ccccc54)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587238188 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238189 KK Annotated Anodyne CCc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587238196 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238198 KK Annotated Bother O=C(NC1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238203 KK Annotated Anodyne CCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587238204 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Cl)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238205 KK Annotated Anodyne O=C(N[C@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587238206 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587238207 KK Annotated Anodyne CCOC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587238208 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587238209 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)nc12 ZINC000587238210 KK Annotated Anodyne Cc1cnc(Cl)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587238211 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)cc1 ZINC000587238212 KK Annotated Anodyne O=C(NC1(c2nc3cc(I)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238213 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238215 KK Annotated Anodyne O=C(NC1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238216 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)c(F)c(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238217 KK Annotated Anodyne CCCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587238218 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587238219 KK Annotated Anodyne O=C(NC1(c2nc3cccc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238221 KK Annotated Anodyne O=C(NC1(c2nc3ccc(F)c(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238222 KK Annotated Anodyne Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2cc1Br ZINC000587238223 KK Annotated Anodyne CSc1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587238228 KK Annotated Anodyne CSc1ccc2nc([C@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 ZINC000587238229 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587238230 KK Annotated Anodyne CCCOc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1Br ZINC000587238231 KK Annotated Anodyne O=C(NC1(c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238232 KK Annotated Bother O=C(NC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238234 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)cc(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238235 KK Annotated Anodyne Cc1ccnc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc12 ZINC000587238236 KK Annotated Anodyne O=C(NC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238237 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238240 KK Annotated Anodyne COc1nccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c12 ZINC000587238241 KK Annotated Anodyne O=C(NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238242 KK Annotated Reactive O=C(NC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238243 KK Annotated Anodyne O=C(NC1(c2nc3cc(F)cc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238245 KK Annotated Anodyne O=C(NC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238246 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c1 ZINC000587238247 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)cc1N ZINC000587238248 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238249 KK Annotated Anodyne O=C(NC1(c2nc3c(Cl)ccnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238252 KK Annotated Anodyne O=C(NC1(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238253 KK Annotated Anodyne COc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2n1 ZINC000587238254 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2c1 ZINC000587238259 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238260 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238261 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)ncc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238262 KK Annotated Anodyne N#Cc1cc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2cc1C#N ZINC000587238263 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c21 ZINC000587238265 KK Annotated Clean O=C(N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587238266 KK Annotated Anodyne O=C(N[C@@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 ZINC000587238267 KK Annotated Anodyne Cc1cc2[nH]c(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)nc2c(C)n1 ZINC000587238268 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238269 KK Annotated Anodyne O=C(NC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238270 KK Annotated Anodyne O=C(NC1(c2nc3ccc(F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238271 KK Annotated Anodyne O=C(NC1(c2nc3cc(C(F)(F)F)cnc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238272 KK Annotated Anodyne O=C(NC1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238274 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCC5(CC4)OCCO5)[nH]c3c2)cc1 ZINC000587238275 KK Annotated Anodyne O=C(NC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238278 KK Annotated Anodyne O=C(NC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 ZINC000587238279 KK Annotated Anodyne O=C(NC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587238280 KK Annotated Anodyne Cc1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCC4(CC3)OCCO4)[nH]c2n1 ZINC000587238281 KK Annotated Anodyne CCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587238282 KK Annotated Anodyne CCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587238283 KK Annotated Anodyne CCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587238284 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587238285 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238295 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238296 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238297 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238298 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(C)c3[nH]2)cc1OC ZINC000587238313 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)nc12 ZINC000587238317 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1OC ZINC000587238332 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2n1 ZINC000587238363 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(C)nc(C)cc3[nH]2)cc1OC ZINC000587238364 KK Annotated Anodyne C=CCc1cccc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587238366 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587238370 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238376 KK Annotated Anodyne COc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238377 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238378 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238379 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238380 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587238389 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587238390 KK Annotated Bother COc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587238394 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC ZINC000587238396 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccnc(OC)c3[nH]2)cc1OC ZINC000587238399 KK Annotated Anodyne COc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238401 KK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238414 KK Annotated Anodyne COc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238418 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1OC ZINC000587238421 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238423 KK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238425 KK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238426 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238428 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238430 KK Annotated Anodyne COc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238440 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1OC ZINC000587238443 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(N)ncc3[nH]2)cc1OC ZINC000587238444 KK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238449 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587238452 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587238458 KK Annotated Mild COc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238459 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(OC)c(OC)cc4NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3c2)cc1 ZINC000587238462 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587238463 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(OC)c3[nH]2)cc1OC ZINC000587238467 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC ZINC000587238468 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1OC ZINC000587238470 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC ZINC000587238471 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cncc(C)c3[nH]2)cc1OC ZINC000587238475 KK Annotated Anodyne COc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238481 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1OC ZINC000587238482 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC(=O)Nc3cccc(C)c3C)[nH]c21 ZINC000587238486 KK Annotated Clean COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)c(C)cc3[nH]2)cc1OC ZINC000587238487 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)c(Br)cc3[nH]2)cc1OC ZINC000587238492 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC(=O)Nc4cccc(C)c4C)[nH]c3cc21 ZINC000587238498 KK Annotated Clean COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(F)c(F)c3[nH]2)cc1OC ZINC000587238499 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1OC ZINC000587238501 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cncc(Cl)c3[nH]2)cc1OC ZINC000587238513 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(N)c(N)cc3[nH]2)cc1OC ZINC000587238519 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587238520 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)cc(F)c3[nH]2)cc1OC ZINC000587238530 KK Annotated Anodyne CCOC(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587238535 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1OC ZINC000587238537 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(F)c(Br)c3[nH]2)cc1OC ZINC000587238543 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1OC ZINC000587238553 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1OC ZINC000587238557 KK Annotated Mild COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)c(F)cc3[nH]2)cc1OC ZINC000587238560 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC ZINC000587238561 KK Annotated Reactive COc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1C ZINC000587238567 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1OC ZINC000587238568 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238574 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)cc3[nH]2)cc1OC ZINC000587238575 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1OC ZINC000587238577 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238578 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238579 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238581 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1OC ZINC000587238600 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C#N)cc3[nH]2)cc1OC ZINC000587238605 KK Annotated Mild COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC ZINC000587238610 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1OC ZINC000587238620 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587238623 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587238627 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238630 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(CO)cc3[nH]2)cc1OC ZINC000587238631 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)c(F)cc3[nH]2)cc1OC ZINC000587238632 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238633 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238635 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238636 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1OC ZINC000587238640 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238651 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238654 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc2c1 ZINC000587238655 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc2c1 ZINC000587238657 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1OC ZINC000587238674 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587238676 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587238677 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238678 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccnc(Br)c3[nH]2)cc1OC ZINC000587238679 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238680 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1OC ZINC000587238681 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1OC ZINC000587238686 KK Annotated Bother COc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238687 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238690 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccnc(N)c3[nH]2)cc1OC ZINC000587238691 KK Annotated Anodyne COc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238693 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238699 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587238700 KK Annotated Bother COc1ccc(-c2nc3ccnc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238703 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1OC ZINC000587238706 KK Annotated Anodyne COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238708 KK Annotated Reactive COc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238714 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587238717 KK Annotated Anodyne COc1ccc(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238722 KK Annotated Anodyne COc1ccc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238728 KK Annotated Anodyne COc1ccc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238729 KK Annotated Anodyne COc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238731 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000587238732 KK Annotated Bother COc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238734 KK Annotated Anodyne COc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238737 KK Annotated Anodyne COC(=O)c1cccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c12 ZINC000587238738 KK Annotated Anodyne COc1ccc(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238746 KK Annotated Mild COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1OC ZINC000587238749 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)cnc3[nH]2)cc1OC ZINC000587238750 KK Annotated Anodyne COc1ccc(-c2nc3cncc([N+](=O)[O-])c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238758 KK Annotated Bother COC(=O)c1ccc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587238762 KK Annotated Anodyne COc1ccc(-c2nc3c(O)nc(S)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238764 KK Annotated Anodyne COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238767 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238768 KK Annotated Anodyne COc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238771 KK Annotated Clean CCCCCOc1cc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587238772 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1 ZINC000587238773 KK Annotated Anodyne COc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238774 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cn1 ZINC000587238775 KK Annotated Anodyne COc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238777 KK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238778 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1OC ZINC000587238779 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000587238780 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238782 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)c(Br)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238783 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238801 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238802 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238803 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238804 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238805 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238806 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238807 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238808 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(N)=O)c4C)[nH]c3cc21 ZINC000587238813 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1OC ZINC000587238815 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)c(OC)cc4NC(=O)OCC4c5ccccc5-c5ccccc54)[nH]c3cc21 ZINC000587238820 KK Annotated Clean COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1OC ZINC000587238839 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cnc(Cl)[nH]c-3n2)cc1OC ZINC000587238866 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587238891 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1OC ZINC000587238892 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587238893 KK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587238895 KK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587238896 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1OC ZINC000587238912 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C)c(C)c3[nH]2)cc1OC ZINC000587238913 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)cc(C)c3[nH]2)cc1OC ZINC000587238915 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1OC ZINC000587238916 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC ZINC000587238931 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1OC ZINC000587238934 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)c(O)c3[nH]2)cc1OC ZINC000587238936 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587238947 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1OC ZINC000587238948 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1OC ZINC000587238957 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1OC ZINC000587238962 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC ZINC000587238963 KK Annotated Anodyne CCCOc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587238965 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)c(C)c3[nH]2)cc1OC ZINC000587238967 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1OC ZINC000587238968 KK Annotated Anodyne COc1ccc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238969 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587238971 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1OC ZINC000587238972 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cc1Br ZINC000587238979 KK Annotated Mild COc1ccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238981 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cncc(Br)c3[nH]2)cc1OC ZINC000587238987 KK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587238994 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587238997 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239004 KK Annotated Anodyne COc1ccc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239007 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cnnc(O)c3[nH]2)cc1OC ZINC000587239008 KK Annotated Anodyne COc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239009 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587239010 KK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239014 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4cn[nH]c4cc3[nH]2)cc1OC ZINC000587239017 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1OC ZINC000587239019 KK Annotated Bother COc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239020 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587239036 KK Annotated Anodyne COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239038 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587239039 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(C(=O)O)c3[nH]2)cc1OC ZINC000587239042 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c21 ZINC000587239044 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OC)c(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3cc21 ZINC000587239046 KK Annotated Clean COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(N)ccnc3[nH]2)cc1OC ZINC000587239056 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c21 ZINC000587239061 KK Annotated Clean COc1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239071 KK Annotated Anodyne COc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239078 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1OC ZINC000587239083 KK Annotated Anodyne COc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239084 KK Annotated Anodyne COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239092 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587239100 KK Annotated Anodyne COc1ccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239111 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(C(C)(C)C)c3[nH]2)cc1OC ZINC000587239112 KK Annotated Anodyne COc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239117 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239157 KK Annotated Anodyne CCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587239167 KK Annotated Anodyne CCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587239168 KK Annotated Anodyne CCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587239169 KK Annotated Anodyne CCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587239170 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1OC ZINC000587239183 KK Annotated Anodyne CCCCOc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587239186 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(I)cnc3[nH]2)cc1OC ZINC000587239187 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1OC ZINC000587239188 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587239193 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1OC ZINC000587239194 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1OC ZINC000587239196 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587239198 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Cl)c(C)c3[nH]2)cc1OC ZINC000587239199 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)cc(Br)c3[nH]2)cc1OC ZINC000587239204 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1OC ZINC000587239210 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(I)cc3[nH]2)cc1OC ZINC000587239213 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)cc(F)c3[nH]2)cc1OC ZINC000587239216 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587239218 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)cc(F)c3[nH]2)cc1OC ZINC000587239219 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1OC ZINC000587239223 KK Annotated Anodyne COc1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587239225 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(CCO)cc3[nH]2)cc1OC ZINC000587239231 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587239233 KK Annotated Anodyne COc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1F ZINC000587239234 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1OC ZINC000587239241 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1OC ZINC000587239245 KK Annotated Mild COC(=O)c1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587239251 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccnc(Cl)c3[nH]2)cc1OC ZINC000587239252 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC ZINC000587239254 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1OC ZINC000587239262 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239267 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239269 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239270 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587239271 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239272 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cncc(OC)c3[nH]2)cc1OC ZINC000587239273 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cnc4ccccc4c3[nH]2)cc1OC ZINC000587239283 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1OC ZINC000587239284 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)nc(C#N)c3[nH]2)cc1OC ZINC000587239298 KK Annotated Mild COc1ccc(-c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239305 KK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239306 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1OC ZINC000587239308 KK Annotated Bother CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239309 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239310 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC ZINC000587239312 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587239315 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)cnc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239319 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc(C)c3[nH]2)cc1OC ZINC000587239321 KK Annotated Anodyne COc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239323 KK Annotated Anodyne COc1ccc(-c2nc3ccc4c(c3[nH]2)CCCC4)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239326 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239335 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239336 KK Annotated Anodyne COc1ccc(-c2nc3ccc(CCO)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239337 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239338 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239340 KK Annotated Anodyne COc1ccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239341 KK Annotated Anodyne COc1ccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239344 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(SC)cc3[nH]2)cc1OC ZINC000587239355 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1OC ZINC000587239358 KK Annotated Anodyne COc1ccc(-c2nc3cc(C#N)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239364 KK Annotated Mild COc1ccc(-c2nc3cc(Br)c(C)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239367 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(N)=O)c4C)[nH]c3cc21 ZINC000587239375 KK Annotated Clean COc1ccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239378 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239391 KK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239392 KK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239394 KK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239395 KK Annotated Reactive COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1OC ZINC000587239396 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c21 ZINC000587239397 KK Annotated Clean COC(=O)c1ccc2nc(-c3ccc(OC)c(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1OC ZINC000587239398 KK Annotated Anodyne COc1ccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239399 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c21 ZINC000587239400 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c21 ZINC000587239402 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c21 ZINC000587239404 KK Annotated Clean COc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239408 KK Annotated Anodyne COc1ccc(-c2nc3cccc(I)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239414 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(C)nccc3[nH]2)cc1OC ZINC000587239421 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC ZINC000587239433 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3nc(C#N)c(C#N)nc3[nH]2)cc1OC ZINC000587239434 KK Annotated Mild COc1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239452 KK Annotated Anodyne O=C(NC1(c2nc3ccc(Sc4ccccc4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239453 KK Annotated Anodyne COc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239457 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(O)c3[nH]2)cc1OC ZINC000587239459 KK Annotated Anodyne COc1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239460 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(S)nc(S)nc3[nH]2)cc1OC ZINC000587239466 KK Annotated Anodyne COc1ccc(-c2nc3cncc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239468 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587239473 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc4ncccc4c3[nH]2)cc1OC ZINC000587239474 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCO4)cc1OC ZINC000587239475 KK Annotated Anodyne COc1ccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239476 KK Annotated Anodyne COc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587239478 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C#N)cc(Cl)c3[nH]2)cc1OC ZINC000587239484 KK Annotated Mild COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(F)cnc(Br)c3[nH]2)cc1OC ZINC000587239488 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c21 ZINC000587239490 KK Annotated Clean COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1OC ZINC000587239491 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1OC ZINC000587239494 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3c(Cl)ncnc3[nH]2)cc1OC ZINC000587239505 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2cc1Br ZINC000587239514 KK Annotated Mild COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1OC ZINC000587239516 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)nc3[nH]2)cc1OC ZINC000587239517 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Cl)nc3[nH]2)cc1OC ZINC000587239518 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1OC ZINC000587239519 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)cc1OC ZINC000587239522 KK Annotated Bother COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)ncc3[nH]2)cc1OC ZINC000587239528 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@H]6CCCO[C@H]6C5(C)C)[nH]c4c3)o2)cc1 ZINC000587239537 KK Annotated Anodyne CCc1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587239538 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@@H]6CCCO[C@@H]6C5(C)C)[nH]c4c3)o2)cc1 ZINC000587239539 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@@H]6CCCO[C@H]6C5(C)C)[nH]c4c3)o2)cc1 ZINC000587239540 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@]5(NC(=O)OC(C)(C)C)[C@H]6CCCO[C@@H]6C5(C)C)[nH]c4c3)o2)cc1 ZINC000587239541 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)cc(F)c3[nH]2)cc1OC ZINC000587239553 KK Annotated Anodyne COc1cc(OC)c2[nH]c(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587239554 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3nc(Br)c[nH]c-3n2)cc1OC ZINC000587239564 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239571 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239572 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239574 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239576 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)cc(Br)c3[nH]2)cc1OC ZINC000587239583 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(F)c3[nH]2)cc1OC ZINC000587239585 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC ZINC000587239597 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1OC ZINC000587239600 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1OC ZINC000587239617 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC ZINC000587239624 KK Annotated Anodyne O=C(NC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587239635 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1OC ZINC000587239636 KK Annotated Anodyne Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1C ZINC000587239651 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3cc21 ZINC000587239690 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3cc21 ZINC000587239691 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3cc21 ZINC000587239692 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3cc21 ZINC000587239695 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587239696 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1OC ZINC000587239706 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587239709 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1OC ZINC000587239713 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(Br)c3[nH]2)cc1OC ZINC000587239716 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(OC(C)C)cc3[nH]2)cc1OC ZINC000587239730 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1OC ZINC000587239739 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(Cl)c3[nH]2)cc1OC ZINC000587239744 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239759 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC ZINC000587239763 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239766 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239769 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239771 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 ZINC000587239777 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC ZINC000587239785 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)c(F)cc3[nH]2)cc1OC ZINC000587239792 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Br)c(C)nc3[nH]2)cc1OC ZINC000587239800 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587239801 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587239802 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587239804 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587239806 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587239811 KK Annotated Reactive COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1OC ZINC000587239812 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)nc2c1 ZINC000587239814 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)cc1OC ZINC000587239824 KK Annotated Anodyne COC(=O)c1ccc2nc(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1OC ZINC000587239839 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(C)cc(C)c3[nH]2)cc1OC ZINC000587239844 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(I)c3[nH]2)cc1OC ZINC000587239845 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587239856 KK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587239859 KK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587239860 KK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587239861 KK Annotated Mild COC(=O)c1cc2[nH]c(-c3cc(OC)c(OC)cc3NC(=O)OCC3c4ccccc4-c4ccccc43)nc2cc1OC ZINC000587239866 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Br)c(F)c3[nH]2)cc1OC ZINC000587239870 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(F)cnc3[nH]2)cc1OC ZINC000587239871 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cccc(C#N)c3[nH]2)cc1OC ZINC000587239872 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC(=O)Nc4cccc(C)c4C)[nH]c3cc21 ZINC000587239873 KK Annotated Anodyne COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1OC ZINC000587239884 KK Annotated Clean Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(O)c1 ZINC000587239887 KK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587239907 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3Nc3ccccc3OC)[nH]c21 ZINC000587239912 KK Annotated Clean Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(O)c1 ZINC000587239920 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)cc1 ZINC000587239961 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3cc21 ZINC000587239964 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3cc21 ZINC000587239966 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3cc21 ZINC000587239969 KK Annotated Clean COc1ccccc1Nc1ccccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587239970 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3cc21 ZINC000587239971 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4Nc4ccccc4OC)[nH]c3cc21 ZINC000587239972 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(C4(NC(=O)OCC5c6ccccc6-c6ccccc65)CCOCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587240066 KK Annotated Anodyne CC(C)Oc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587240084 KK Annotated Anodyne CC(C)Oc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587240172 KK Annotated Anodyne CC(C)Oc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587240174 KK Annotated Anodyne CC(C)Oc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587240175 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2cc1Br ZINC000587240222 KK Annotated Mild CCc1ccccc1NC(=O)c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587240245 KK Annotated Bother CCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587240262 KK Annotated Anodyne CCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587240264 KK Annotated Anodyne CCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587240265 KK Annotated Anodyne CCCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587240266 KK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587240268 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240269 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240273 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240274 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240275 KK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587240293 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c1 ZINC000587240426 KK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587240440 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240484 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240485 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240486 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(Br)ccc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240487 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(NC(N)=O)c3C)[nH]c21 ZINC000587240491 KK Annotated Clean Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(O)c1 ZINC000587240535 KK Annotated Reactive CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587240537 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587240540 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587240541 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587240542 KK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(O)c1 ZINC000587240611 KK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(O)c1 ZINC000587240620 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c1 ZINC000587240639 KK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)c(O)c1 ZINC000587240641 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(NC(=O)Cc5ccccc5C)cc4O)[nH]c3cc21 ZINC000587240675 KK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(O)c1 ZINC000587240694 KK Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587240757 KK Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587240758 KK Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587240759 KK Annotated Anodyne COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587240760 KK Annotated Anodyne O=C(NC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 ZINC000587240773 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587240812 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587240813 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2cc1Br ZINC000587240814 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cc1Br ZINC000587240815 KK Annotated Anodyne Cc1c(NC(N)=O)cccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587240824 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1Br ZINC000587240863 KK Annotated Mild Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(O)c1 ZINC000587240864 KK Annotated Anodyne Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(O)c1 ZINC000587240907 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c21 ZINC000587240956 KK Annotated Clean Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(O)c1 ZINC000587240991 KK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587241027 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241068 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241069 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241070 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241071 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C ZINC000587241108 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000587241109 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C ZINC000587241110 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@]1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C ZINC000587241111 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCOCC3)[nH]c2c1 ZINC000587241124 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587241135 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587241136 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@H]5CCCO[C@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587241137 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]4(NC(=O)OC(C)(C)C)[C@@H]5CCCO[C@@H]5C4(C)C)[nH]c3c2)cc1 ZINC000587241138 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(NC(=O)Cc5ccccc5C)cc4O)[nH]c3cc21 ZINC000587241183 KK Annotated Clean COC(=O)c1cc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587241205 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2c1 ZINC000587241213 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccc(NC(=O)Cc5ccccc5C)cc4O)[nH]c3c2)cc1 ZINC000587241256 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(N)c4Nc4cc(C)cc(C)c4)[nH]c3cc21 ZINC000587241270 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1Br ZINC000587241278 KK Annotated Mild COc1ccccc1Nc1ccccc1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587241328 KK Annotated Anodyne COc1ccccc1Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587241358 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(NC(=O)OC(C)(C)C)c4)[nH]c3cc21 ZINC000587241384 KK Annotated Clean CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587241427 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(NC(=O)OC(C)(C)C)c4)[nH]c3cc21 ZINC000587241501 KK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2c3c(ccc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587241542 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cccc(N)c4Nc4cc(C)cc(C)c4)[nH]c3c2)cc1 ZINC000587241570 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(N)c5Nc5cc(C)cc(C)c5)[nH]c4c3)o2)cc1 ZINC000587241573 KK Annotated Anodyne Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c1 ZINC000587241602 KK Annotated Anodyne CCc1ccccc1NC(=O)c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587241603 KK Annotated Clean CC(C)(C)C(=O)Nc1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587241679 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 ZINC000587241713 KK Annotated Anodyne Cc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587241759 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccc(NC(C)=O)c3)[nH]c21 ZINC000587241769 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(N)=O)c4)[nH]c3cc21 ZINC000587241777 KK Annotated Clean CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587241844 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(Nc4ccc(O)cc4)c3)nc1-2 ZINC000587241899 KK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587241902 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587241932 KK Annotated Bother CC(=O)Nc1cccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587241938 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3cc21 ZINC000587242080 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(=O)C(C)(C)C)c4)[nH]c3cc21 ZINC000587242082 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(=O)CC(C)(C)C)c4)[nH]c3cc21 ZINC000587242084 KK Annotated Anodyne CCCOc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242094 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587242104 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(=O)CC(C)(C)C)c4)[nH]c3cc21 ZINC000587242111 KK Annotated Clean Cc1cc(Br)cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587242152 KK Annotated Anodyne Cc1nc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2cc1Br ZINC000587242153 KK Annotated Anodyne Oc1ccc(Nc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587242195 KK Annotated Reactive CC(C)Oc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242202 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242210 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c21 ZINC000587242316 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc(NC(=O)CC(C)(C)C)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587242348 KK Annotated Anodyne CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587242367 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c21 ZINC000587242390 KK Annotated Clean O=C(Nc1cccc(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242396 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(NC(=O)C(C)(C)C)c4)[nH]c3cc21 ZINC000587242400 KK Annotated Clean O=C(Nc1cccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242431 KK Annotated Anodyne Cc1c(Br)cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1C ZINC000587242513 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242515 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)c(Br)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242521 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c21 ZINC000587242555 KK Annotated Clean CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587242674 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(NC(N)=O)c3)[nH]c21 ZINC000587242718 KK Annotated Clean CCCCCOc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242743 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(Br)c(O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242764 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242771 KK Annotated Anodyne CCCCOc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242795 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3cc21 ZINC000587242801 KK Annotated Clean O=C(Nc1cccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242814 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c21 ZINC000587242820 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(NC(C)=O)c4)[nH]c3cc21 ZINC000587242836 KK Annotated Clean CCCCCCCCOc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242844 KK Annotated Mild O=C(Nc1cccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242851 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587242853 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(Br)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242885 KK Annotated Anodyne N#Cc1cc(Br)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587242897 KK Annotated Mild Cc1cc(Br)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587242899 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Br)ccnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242910 KK Annotated Anodyne CC(C)COc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1Br ZINC000587242916 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587242930 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243132 KK Annotated Bother COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3c2)cc1 ZINC000587243139 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587243151 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(S)nc(S)nc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243169 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3cc21 ZINC000587243185 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3cc21 ZINC000587243186 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243250 KK Annotated Anodyne Nc1ccc(-c2ccc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3c2)cc1N ZINC000587243256 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(I)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243271 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(I)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243273 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587243274 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243278 KK Annotated Anodyne COC(=O)c1ccnc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587243315 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243324 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243337 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243340 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c21 ZINC000587243341 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243346 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243351 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243352 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243357 KK Annotated Bother O=C(Nc1cccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243358 KK Annotated Bother O=C(Nc1cccc(Cc2nc3ccc(Br)nc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243359 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243369 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243380 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243382 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243383 KK Annotated Anodyne COC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587243384 KK Annotated Anodyne Cc1cc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2cc1[N+](=O)[O-] ZINC000587243387 KK Annotated Bother NS(=O)(=O)c1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587243391 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243399 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243412 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587243463 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587243550 KK Annotated Anodyne O=C1CCc2cc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3cc2N1 ZINC000587243591 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243600 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243605 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243611 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243617 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243618 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243619 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243622 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243624 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cn1 ZINC000587243638 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243644 KK Annotated Anodyne COC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243646 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243647 KK Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587243661 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243671 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243672 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587243675 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3cc21 ZINC000587243687 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243732 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243741 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3cc21 ZINC000587243748 KK Annotated Clean COC(=O)c1cc(Cl)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587243765 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc1-2 ZINC000587243774 KK Annotated Anodyne Cc1c(Br)ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587243780 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243794 KK Annotated Anodyne NS(=O)(=O)c1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587243795 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243797 KK Annotated Anodyne Cc1cc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2cc1[N+](=O)[O-] ZINC000587243805 KK Annotated Bother N#Cc1cc(Br)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587243807 KK Annotated Mild O=C(Nc1ccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243826 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3cc21 ZINC000587243829 KK Annotated Anodyne O=C1COc2cc3[nH]c(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)nc3cc2N1 ZINC000587243834 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243852 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243878 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243896 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587243910 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243959 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243966 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243967 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587243971 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587243972 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(I)cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243974 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243980 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(I)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243982 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243984 KK Annotated Reactive O=C(Nc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243986 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587243987 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587243994 KK Annotated Anodyne O=C1COc2cc3[nH]c(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)nc3cc2N1 ZINC000587244018 KK Annotated Anodyne COC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1OC ZINC000587244022 KK Annotated Anodyne O=C1CCc2cc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3cc2N1 ZINC000587244024 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244059 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244066 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(Cc5cccc(NC(=O)OCC6c7ccccc7-c7ccccc76)c5)[nH]c4c3)o2)cc1 ZINC000587244081 KK Annotated Anodyne N#Cc1cc(Cl)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587244098 KK Annotated Mild O=C(Nc1cccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244115 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244135 KK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2n1 ZINC000587244140 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244190 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244231 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244233 KK Annotated Bother O=C(Nc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244237 KK Annotated Anodyne N#Cc1nc(Cl)cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244274 KK Annotated Mild O=C(Nc1cccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244317 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244327 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc1-2 ZINC000587244334 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244337 KK Annotated Anodyne NS(=O)(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244343 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244344 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244356 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244361 KK Annotated Anodyne CC(C)(C)c1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587244375 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c21 ZINC000587244378 KK Annotated Clean O=C(Nc1cccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244388 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244395 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244401 KK Annotated Anodyne Cc1ccc2c(ccc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c32)n1 ZINC000587244420 KK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2n1 ZINC000587244424 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244429 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)ccnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244430 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244432 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587244446 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244449 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244456 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587244473 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244476 KK Annotated Bother CN(C)CCOc1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244482 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c21 ZINC000587244487 KK Annotated Clean CC(C)COc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587244490 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244493 KK Annotated Bother COC(=O)c1ccnc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587244495 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244496 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccnc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244499 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244503 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244505 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587244508 KK Annotated Anodyne NNC(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244509 KK Annotated Reactive O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244514 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244564 KK Annotated Anodyne CC1=C(c2ccc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3c2)NNC(=O)C1 ZINC000587244566 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc12 ZINC000587244576 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244583 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587244585 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244588 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244595 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244603 KK Annotated Anodyne COC(=O)c1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244620 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244625 KK Annotated Anodyne CC(C)(C)c1cccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c12 ZINC000587244643 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244645 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc4nc5ccccc5nc4cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244650 KK Annotated Bother O=C(Nc1cccc(Cc2nc3cc(I)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244663 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3c2)cc1 ZINC000587244665 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244670 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244674 KK Annotated Anodyne CN(C)C(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244681 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244685 KK Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cn1 ZINC000587244691 KK Annotated Bother O=C(Nc1cccc(Cc2nc3c4ccccc4c4ccccc4c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244712 KK Annotated Bother N#Cc1cc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2cc1C(F)(F)F ZINC000587244717 KK Annotated Mild O=C(Nc1cccc(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244723 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244731 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)ncc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244735 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587244746 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244761 KK Annotated Reactive O=C(Nc1cccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244765 KK Annotated Reactive Nc1ccc(Oc2ccc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3c2)cc1 ZINC000587244767 KK Annotated Clean O=C(Nc1cccc(Cc2nc3nc(Br)c[nH]c-3n2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244768 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244771 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244772 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587244799 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244802 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244814 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(NC(=O)c5cnoc5C)cc4)[nH]c3cc21 ZINC000587244823 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244827 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)c(O)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244832 KK Annotated Anodyne Cc1cc(Br)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587244854 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COCCN)[nH]c21 ZINC000587244856 KK Annotated Clean Cc1nc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2cc1Br ZINC000587244865 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244866 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244873 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc2c1 ZINC000587244876 KK Annotated Anodyne Cc1cc(Br)cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587244885 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244890 KK Annotated Bother CC1=C(c2ccc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587244910 KK Annotated Anodyne CCOC(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244911 KK Annotated Anodyne CCS(=O)(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587244912 KK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587244925 KK Annotated Reactive O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244934 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587244951 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587244963 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cncc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587244996 KK Annotated Anodyne CN(C)S(=O)(=O)c1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245005 KK Annotated Anodyne COc1cc(OC)c2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2c1 ZINC000587245013 KK Annotated Anodyne NNC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587245038 KK Annotated Reactive O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245040 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245046 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245054 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245056 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245060 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245063 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245069 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245080 KK Annotated Clean O=C(Nc1cccc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245095 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245100 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245104 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(NC(=O)C(C)(C)C)nc4)[nH]c3cc21 ZINC000587245105 KK Annotated Anodyne CC(C)(C)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587245115 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245119 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3cc21 ZINC000587245122 KK Annotated Clean O=C(Nc1cccc(Cc2nc3c(F)cnc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245134 KK Annotated Anodyne CN(C)CCOc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587245137 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245141 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245144 KK Annotated Anodyne COC(=O)Nc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cn1 ZINC000587245151 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245152 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245158 KK Annotated Bother CC(C)Oc1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587245163 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245164 KK Annotated Anodyne O=C(Nc1cccc(Cc2nc3ccnc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 ZINC000587245167 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4cccc(NC(=O)OCC5c6ccccc6-c6ccccc65)c4)[nH]c3c2)cc1 ZINC000587245170 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(NC(=O)OC)nc4)[nH]c3cc21 ZINC000587245188 KK Annotated Clean CC(C)(C)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587245190 KK Annotated Anodyne N[C@H](N=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587245195 KK Annotated Anodyne N[C@@H](N=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 ZINC000587245198 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245204 KK Annotated Anodyne COC(=O)c1cc2[nH]c(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)nc2cc1OC ZINC000587245205 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245214 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(F)c(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245216 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245219 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(I)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245228 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245231 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3c2)cc1 ZINC000587245243 KK Annotated Anodyne Cc1c(Br)cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1C ZINC000587245246 KK Annotated Anodyne CC(C)Oc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587245247 KK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587245268 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245274 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245275 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245280 KK Annotated Anodyne COC(=O)c1cccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c12 ZINC000587245283 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245289 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c4cccnc4c4ncccc4c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245319 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\C(=O)Nc3ccccc3)[nH]c21 ZINC000587245322 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/C(=O)Nc3ccccc3)[nH]c21 ZINC000587245325 KK Annotated Clean O=C(Nc1ccc(Cc2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245331 KK Annotated Bother COC(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 ZINC000587245342 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245364 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245375 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c12 ZINC000587245402 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(NC(=O)OC)nc3)[nH]c21 ZINC000587245433 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)Nc4ccccc4)[nH]c3cc21 ZINC000587245491 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)Nc4ccccc4)[nH]c3cc21 ZINC000587245495 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOCCOCCN)[nH]c21 ZINC000587245512 KK Annotated Clean O=C(Nc1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245516 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245519 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245613 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245617 KK Annotated Anodyne Cc1c(Br)cnc2[nH]c(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)nc12 ZINC000587245620 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(NC(=O)c5cnoc5C)cc4)[nH]c3cc21 ZINC000587245626 KK Annotated Clean Nc1ccc(Oc2ccc3nc(Cc4ccc(NC(=O)OCC5c6ccccc6-c6ccccc65)cc4)[nH]c3c2)cc1 ZINC000587245628 KK Annotated Clean COC(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1OC ZINC000587245630 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3nc(Br)c[nH]c-3n2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245633 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245645 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)nc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245655 KK Annotated Anodyne COC(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2n1 ZINC000587245657 KK Annotated Anodyne Cc1oncc1C(=O)Nc1ccc(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)cc1 ZINC000587245659 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245661 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245671 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Br)ccc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245672 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245683 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(Cl)c(Br)cnc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245700 KK Annotated Anodyne COC(=O)c1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cn1 ZINC000587245701 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3ccc(Br)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245721 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587245739 KK Annotated Mild O=C(Nc1ccc(Cc2nc3c(Br)cnc(Cl)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245750 KK Annotated Anodyne CCCOc1cc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2cc1Br ZINC000587245760 KK Annotated Anodyne O=C(Nc1ccc(Cc2nc3c(F)cnc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587245771 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COCCN)[nH]c3cc21 ZINC000587245811 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c21 ZINC000587245886 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c21 ZINC000587245887 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CC[C@@H]4N)[nH]c3cc21 ZINC000587246097 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(CN)c3)[nH]c21 ZINC000587246104 KK Annotated Clean COc1ccc2c(c1)CC[C@@](N)(c1nc3cc4c(cc3[nH]1)C1(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc31)C2 ZINC000587246222 KK Annotated Anodyne COc1ccc2c(c1)CC[C@](N)(c1nc3cc4c(cc3[nH]1)C1(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc31)C2 ZINC000587246225 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587246470 KK Annotated Mild CCCCCCCCOc1cc2nc([C@]3(N)CCc4cc(OC)ccc4C3)[nH]c2cc1Br ZINC000587246471 KK Annotated Mild CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587246506 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cc1Br ZINC000587246538 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(NC(=O)C(C)(C)C)nc4)[nH]c3cc21 ZINC000587246573 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CC[C@@H](N)C3)[nH]c21 ZINC000587246656 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOCCOCCN)[nH]c3cc21 ZINC000587246794 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(CN)c4)[nH]c3cc21 ZINC000587246816 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(CN)c4)[nH]c3cc21 ZINC000587247073 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CC[C@@H]3N)[nH]c21 ZINC000587247080 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc5ccccc5cc4NC(=O)C(C)C)[nH]c3c2)cc1 ZINC000587247107 KK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587247182 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c21 ZINC000587247209 KK Annotated Clean COc1ccc2c(c1)CC[C@](N)(c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)C2 ZINC000587247264 KK Annotated Bother COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)C2 ZINC000587247265 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CC[C@@H](N)C4)[nH]c3cc21 ZINC000587247367 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc5ccccc5cc4NC(=O)C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587247525 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5ccccc5cc4NC(=O)C(C)C)[nH]c3cc21 ZINC000587247531 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(N)CCc5cc(OC)ccc5C4)[nH]c3cc21 ZINC000587247543 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(N)CCc5cc(OC)ccc5C4)[nH]c3cc21 ZINC000587247544 KK Annotated Clean CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587247551 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc(-c5cc6ccccc6cc5NC(=O)C(C)C)[nH]c4c3)o2)cc1 ZINC000587247565 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 ZINC000587247579 KK Annotated Anodyne CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587247691 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5ccccc5cc4NC(=O)C(C)C)[nH]c3cc21 ZINC000587247726 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(NC(=O)C(C)(C)C)nc3)[nH]c21 ZINC000587247801 KK Annotated Clean CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cn1 ZINC000587247878 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(N)CCOC4)[nH]c3cc21 ZINC000587248193 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]4(N)CCOC4)[nH]c3cc21 ZINC000587248194 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(N)c3C(=O)O)[nH]c21 ZINC000587248223 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(N)cccc3C(=O)O)[nH]c21 ZINC000587248246 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(N)cccc4C(=O)O)[nH]c3cc21 ZINC000587248299 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(N)CCOC3)[nH]c21 ZINC000587248398 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]3(N)CCOC3)[nH]c21 ZINC000587248399 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(N)c4C(=O)O)[nH]c3cc21 ZINC000587248466 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(C(=O)O)cc3N)[nH]c21 ZINC000587248943 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(N)cccc3O)[nH]c21 ZINC000587249035 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(N)cccc4O)[nH]c3cc21 ZINC000587249098 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c[nH]ccc4=N)[nH]c3cc21 ZINC000587249259 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4ccc(C)c(N)c4)[nH]c3cc21 ZINC000587249398 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3ccc(C)c(N)c3)[nH]c21 ZINC000587249437 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)cc(C)c3N)[nH]c21 ZINC000587249484 KK Annotated Clean COc1cc(C)c(N)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587249494 KK Annotated Bother COc1cc(C)c(N)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587249585 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)cc(C)c4N)[nH]c3cc21 ZINC000587249614 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(N)cc(C(=O)O)c3)[nH]c21 ZINC000587249634 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4N)cc3)nc21 ZINC000587249663 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccccc5N)cc4)nc3cc21 ZINC000587249706 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c[nH]ccc3=N)[nH]c21 ZINC000587249977 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(N)cc(C(=O)O)c4)[nH]c3cc21 ZINC000587250023 KK Annotated Clean Nc1ccccc1-c1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000587250139 KK Annotated Anodyne Nc1ccccc1-c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587250173 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(N)c(C#N)c4)[nH]c3cc21 ZINC000587250420 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(CC(=O)O)c(N)c3)[nH]c21 ZINC000587250454 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(N)c(C#N)c3)[nH]c21 ZINC000587250529 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4ccc(C)c(N)c4)[nH]c3cc21 ZINC000587250598 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(CC(=O)O)c(N)c4)[nH]c3cc21 ZINC000587250658 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(C(=O)O)cc4N)[nH]c3cc21 ZINC000587250708 KK Annotated Clean Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c2ccccc2c1 ZINC000587251473 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc5cc(N)ccc5o4)[nH]c3cc21 ZINC000587251478 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(N)cc4ccccc34)[nH]c21 ZINC000587251584 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)c3ccc(N)cc3)[nH]c21 ZINC000587251748 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(N)cc4)[nH]c3cc21 ZINC000587251822 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(N)cc4)[nH]c3cc21 ZINC000587251824 KK Annotated Anodyne Nc1ccc(C(=O)CCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587251825 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3cc21 ZINC000587251865 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(N)cc5ccccc45)[nH]c3cc21 ZINC000587251966 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(N)cc5ccccc45)[nH]c3cc21 ZINC000587252045 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(N)cc4)[nH]c3cc21 ZINC000587252060 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(N)cc4)[nH]c3cc21 ZINC000587252061 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc4cc(N)ccc4o3)[nH]c21 ZINC000587252228 KK Annotated Clean Nc1ccc2oc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)cc2c1 ZINC000587252299 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3cc21 ZINC000587252373 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(N)cc3)[nH]c21 ZINC000587252398 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(N)cc3)[nH]c21 ZINC000587252399 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ncc(N)cn3)nc21 ZINC000587252634 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc5cc(N)ccc5o4)[nH]c3cc21 ZINC000587252671 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ncc(N)cn4)nc3cc21 ZINC000587252690 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(N)nc4O)[nH]c3cc21 ZINC000587253172 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccnc4N)[nH]c3cc21 ZINC000587253261 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(N)nc3O)[nH]c21 ZINC000587253367 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(N)nc4ccccc34)[nH]c21 ZINC000587253385 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4ccccc4c3N)[nH]c21 ZINC000587253497 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(N)nc5ccccc45)[nH]c3cc21 ZINC000587253586 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc5ccccc5c4N)[nH]c3cc21 ZINC000587253723 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5cnc(N)nc5)c4)[nH]c3cc21 ZINC000587253724 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4cnc(N)nc4)c3)[nH]c21 ZINC000587253786 KK Annotated Clean Nc1ncc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cn1 ZINC000587254098 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5ccccc5c4N)[nH]c3cc21 ZINC000587254242 KK Annotated Clean Nc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc2ccccc12 ZINC000587254252 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3c(N)cncc3OC)nc21 ZINC000587254386 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccnc3N)[nH]c21 ZINC000587254392 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(N)nc5ccccc45)[nH]c3cc21 ZINC000587254414 KK Annotated Anodyne Nc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c2ccccc2n1 ZINC000587254468 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(N)nc4)[nH]c3cc21 ZINC000587254585 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cncc(N)c4)[nH]c3cc21 ZINC000587254618 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cncc(N)c3)[nH]c21 ZINC000587254700 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4c(N)cncc4OC)nc3cc21 ZINC000587254707 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3=C(N)C(C)(C)OC3=O)[nH]c21 ZINC000587255097 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(N)nc3)[nH]c21 ZINC000587255107 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5cnc(N)nc5)c4)[nH]c3cc21 ZINC000587255135 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC3CC(N)C3)[nH]c21 ZINC000587255180 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4=C(N)C(C)(C)OC4=O)[nH]c3cc21 ZINC000587255184 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC4CC(N)C4)[nH]c3cc21 ZINC000587255431 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)C4CC4)[nH]c3cc21 ZINC000587255465 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)C3CC3)[nH]c21 ZINC000587255703 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)C3COC3)[nH]c21 ZINC000587255883 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255954 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C#N)cc(Cl)c2[nH]1)C(=O)O ZINC000587255955 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587255958 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587255960 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255963 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)nc(C#N)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255966 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255968 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cnc2[nH]1 ZINC000587255969 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587255970 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Br)ccnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255971 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587255972 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587255973 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255976 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255977 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255978 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255979 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255980 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255981 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)O ZINC000587255982 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255983 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255984 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255985 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(F)c(C)c2[nH]1)C(=O)O ZINC000587255986 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cncc(Cl)c2[nH]1)C(=O)O ZINC000587255989 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(C)c(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255990 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255991 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255992 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)c(C)nc2[nH]1)C(=O)O ZINC000587255993 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255994 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587255995 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587255996 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(Br)c2[nH]1 ZINC000587255997 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256000 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)O ZINC000587256001 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256003 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccnc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256022 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256026 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587256028 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256032 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c21 ZINC000587256033 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C#N)cc(Br)c2[nH]1)C(=O)O ZINC000587256037 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256039 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Cl)ccnc2[nH]1)C(=O)O ZINC000587256042 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)cc(Cl)c2[nH]1 ZINC000587256048 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587256056 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)O ZINC000587256061 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587256062 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256069 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256077 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)ncc2[nH]1 ZINC000587256085 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256090 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256094 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)C4COC4)[nH]c3cc21 ZINC000587256101 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256102 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C#N)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256105 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)cc(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256106 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)O ZINC000587256107 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC[C@@H](N)C(=O)OC(C)(C)C)[nH]c3cc21 ZINC000587256113 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)C(=O)O ZINC000587256114 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256119 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)O ZINC000587256121 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587256126 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)O ZINC000587256135 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)C(=O)O ZINC000587256142 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)ncc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256143 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587256146 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256153 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Cl)nc2[nH]1 ZINC000587256155 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(F)c2[nH]1 ZINC000587256156 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)ccnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256158 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(OC(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256163 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587256167 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2nc(Br)c[nH]c-2n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256170 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 ZINC000587256171 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)ccc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256172 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)O ZINC000587256175 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(Cl)c2[nH]1 ZINC000587256189 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256195 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587256200 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2cc1Br ZINC000587256203 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)ccnc2[nH]1 ZINC000587256206 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)O ZINC000587256208 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256214 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587256222 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256227 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000587256228 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2cc1Br ZINC000587256229 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)ncc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256231 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000587256237 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OCCC)c(Br)cc2[nH]1)C(=O)O ZINC000587256417 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)O ZINC000587256419 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256424 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCCC)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256426 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256432 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Cl)c(C)c2[nH]1)C(=O)O ZINC000587256435 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256438 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256443 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587256447 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256452 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256456 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587256461 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)c(F)cc2[nH]1 ZINC000587256465 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256476 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)cnc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256480 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000587256481 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256485 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)cnc(Cl)c2[nH]1 ZINC000587256486 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256488 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(=O)O ZINC000587256490 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256492 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587256499 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587256501 KK Annotated Anodyne CCCCCOc1cc2nc(C[C@H](CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2cc1Br ZINC000587256503 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)c(F)cc2[nH]1)C(=O)O ZINC000587256505 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)ncc2[nH]1 ZINC000587256508 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256511 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587256514 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587256515 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256521 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)nc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256526 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(Cl)c2[nH]1 ZINC000587256529 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587256531 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1)C(=O)O ZINC000587256534 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(Cl)cc2[nH]1 ZINC000587256535 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587256536 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587256537 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)C(=O)O ZINC000587256538 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587256539 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 ZINC000587256542 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256543 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256545 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)c(F)c(F)c2[nH]1 ZINC000587256546 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256548 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)C(=O)O ZINC000587256549 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)c(Cl)cc2[nH]1)C(=O)O ZINC000587256551 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587256553 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256554 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256556 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256558 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256559 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587256560 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)O ZINC000587256561 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)C(=O)O ZINC000587256562 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000587256563 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587256564 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(C)c(Br)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256565 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)nc(C#N)c2[nH]1 ZINC000587256566 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256568 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256569 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256572 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587256573 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587256575 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256576 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256577 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC(=O)O)CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2cc1Br ZINC000587256580 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256581 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256584 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587256585 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)C(=O)O ZINC000587256586 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256587 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587256588 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256591 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256594 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2cc1Br ZINC000587256596 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256598 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)O ZINC000587256599 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587256600 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587256601 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256602 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(Cl)cc2[nH]1 ZINC000587256603 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587256604 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256606 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587256607 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O ZINC000587256608 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)cnc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256609 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256610 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(=O)O ZINC000587256611 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587256612 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)ncc2[nH]1)C(=O)O ZINC000587256613 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256614 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256616 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587256617 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCC(N)CC3)[nH]c21 ZINC000587256667 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256755 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256757 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O ZINC000587256758 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)cc(Br)c2[nH]1)C(=O)O ZINC000587256762 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256763 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)nc2[nH]1)C(=O)O ZINC000587256765 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256766 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256767 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587256768 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O ZINC000587256769 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)C(=O)O ZINC000587256770 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587256771 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)O ZINC000587256772 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(=O)O ZINC000587256774 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256775 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256776 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)cc(F)c2[nH]1)C(=O)O ZINC000587256777 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256778 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256779 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Br)cnc(Br)c2[nH]1)C(=O)O ZINC000587256780 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)cc2[nH]1 ZINC000587256781 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)ccnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256782 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256783 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)O ZINC000587256784 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587256786 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256787 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256788 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Cl)c(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256789 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587256790 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Br)ccnc2[nH]1)C(=O)O ZINC000587256791 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256792 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2cc1Br ZINC000587256794 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(Cl)c2[nH]1 ZINC000587256795 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(=O)O ZINC000587256798 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)ncc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256799 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256800 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)c(F)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256801 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256802 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256803 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256804 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(Br)c2[nH]1 ZINC000587256805 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256806 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(F)c2[nH]1 ZINC000587256808 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256809 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)c(Br)cc2[nH]1)C(=O)O ZINC000587256810 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256812 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256813 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256814 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)C(=O)O ZINC000587256815 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)O ZINC000587256816 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256817 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587256818 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587256819 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256820 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256821 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587256823 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)nc2[nH]1 ZINC000587256824 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256825 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587256826 KK Annotated Anodyne CCCCOc1cc2nc(C[C@H](CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2cc1Br ZINC000587256828 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256829 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)O ZINC000587256830 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)O ZINC000587256831 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256833 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587256835 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587256837 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256839 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)O ZINC000587256840 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256841 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(SC(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256843 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)c(C)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256844 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256845 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)C(=O)O ZINC000587256847 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(Br)c2[nH]1)C(=O)O ZINC000587256848 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)O ZINC000587256850 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256851 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256852 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)O)c(F)cc2[nH]1 ZINC000587256853 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)cc2[nH]1)C(=O)O ZINC000587256854 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)ncc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256855 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587256856 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)ncc2[nH]1 ZINC000587256857 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CC(=O)O)CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2cc1Br ZINC000587256858 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256959 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(C)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256960 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O ZINC000587256961 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cc(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256963 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(F)c(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256964 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)O ZINC000587256965 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256967 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(=O)O ZINC000587256968 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)c(Br)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256969 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256970 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)c(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256971 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)C(=O)O ZINC000587256972 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256973 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(Cl)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256974 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256975 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cc(F)c2[nH]1 ZINC000587256977 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587256978 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256979 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587256980 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(-n3cccn3)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256981 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256982 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)O ZINC000587256983 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256984 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256986 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(Br)c2[nH]1 ZINC000587256987 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256988 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256989 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256990 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)nc(C#N)c2[nH]1)C(=O)O ZINC000587256991 KK Annotated Mild CCCCCOc1cc2nc([C@H](CC(=O)O)CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2cc1Br ZINC000587256992 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(F)c2[nH]1)C(=O)O ZINC000587256993 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(F)cc2[nH]1 ZINC000587256996 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)c(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256997 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)C(=O)O ZINC000587256998 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587256999 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(C)c(Br)cnc2[nH]1)C(=O)O ZINC000587257000 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257001 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 ZINC000587257002 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)c(Br)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257004 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C#N)cc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257005 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257006 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)C(=O)O ZINC000587257007 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257008 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccnc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257009 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cnc(C(F)(F)F)[nH]c-2n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257010 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)O ZINC000587257018 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(-n3cccn3)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257021 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587257024 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257026 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(=O)O ZINC000587257028 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257030 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)c(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257031 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257034 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587257035 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cncc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257036 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cnc2[nH]1)C(=O)O ZINC000587257038 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257039 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257040 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257042 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccnc(Br)c2[nH]1)C(=O)O ZINC000587257045 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](CC(=O)O)CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2cc1Br ZINC000587257046 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257047 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587257048 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257049 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)c(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257050 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257052 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)c(C)c(C)c2[nH]1)C(=O)O ZINC000587257054 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cc(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257057 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257060 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587257063 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(C)cnc(Cl)c2[nH]1)C(=O)O ZINC000587257064 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)C(=O)O ZINC000587257070 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257071 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257073 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257075 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257078 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587257080 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cncc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257082 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(=O)O ZINC000587257083 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257084 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587257086 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)cnc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257089 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)cc(C)c2[nH]1)C(=O)O ZINC000587257091 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257094 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(Br)c2[nH]1)C(=O)O ZINC000587257097 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)C(=O)O ZINC000587257099 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587257102 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257115 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257117 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Cl)c(Cl)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257118 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(=O)O)c(F)cc2[nH]1)C(=O)O ZINC000587257119 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257120 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(Cl)c2[nH]1)C(=O)O ZINC000587257121 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257125 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Cl)cc2[nH]1 ZINC000587257126 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257128 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)cc(OC)c2[nH]1 ZINC000587257130 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257131 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587257132 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)cnc2[nH]1)C(=O)O ZINC000587257133 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257136 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C)c2[nH]1)C(=O)O ZINC000587257137 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)c(C)c2[nH]1 ZINC000587257138 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2nc(Br)c[nH]c-2n1 ZINC000587257139 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)O ZINC000587257141 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257142 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C#N)c2[nH]1)C(=O)O ZINC000587257143 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)C(=O)O ZINC000587257144 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cncc(Br)c2[nH]1)C(=O)O ZINC000587257145 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587257146 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257147 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257148 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(=O)O ZINC000587257149 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)nc(C#N)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257150 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OCC)cc2[nH]1 ZINC000587257151 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587257152 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Cl)nc2[nH]1)C(=O)O ZINC000587257155 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)C(=O)O ZINC000587257157 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587257158 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(F)cnc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257159 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587257160 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)C(=O)O ZINC000587257161 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)c(F)cc2[nH]1)C(=O)O ZINC000587257162 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257163 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257164 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587257165 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587257166 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257168 KK Annotated Bother CCCCCOc1cc2nc([C@H](CC(=O)O)CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2cc1Br ZINC000587257170 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)C(=O)O ZINC000587257172 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257174 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cnc2[nH]1 ZINC000587257175 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257177 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257178 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCO3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257179 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257180 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587257182 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)c(F)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257183 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257184 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)O ZINC000587257185 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257186 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Cl)c(C)c2[nH]1 ZINC000587257187 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257188 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)cnc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257191 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257192 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587257193 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257194 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)O ZINC000587257196 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257197 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(=O)O)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257199 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccnc(Cl)c2[nH]1)C(=O)O ZINC000587257200 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(C)c2[nH]1 ZINC000587257202 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587257204 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1)C(=O)O ZINC000587257206 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257207 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(I)cnc2[nH]1)C(=O)O ZINC000587257209 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C#N)cc2[nH]1 ZINC000587257210 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cnc(C(F)(F)F)[nH]c-2n1 ZINC000587257211 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587257212 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OCCC)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257213 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(I)cnc2[nH]1 ZINC000587257214 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)ncc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257215 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(Br)ccc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257216 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257217 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C#N)cc2[nH]1)C(=O)O ZINC000587257218 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(O)cc2[nH]1 ZINC000587257219 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(Br)c(Br)cc2[nH]1)C(=O)O ZINC000587257220 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)C(=O)O ZINC000587257221 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587257222 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(I)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257223 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587257224 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587257225 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(=O)O ZINC000587257226 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257228 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257229 KK Annotated Anodyne CCCCOc1cc2nc([C@H](CC(=O)O)CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2cc1Br ZINC000587257230 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587257232 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)c(C)c2[nH]1)C(=O)O ZINC000587257233 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)ccnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257236 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)cc(C)c2[nH]1)C(=O)O ZINC000587257237 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(C)=O)cc2[nH]1)C(=O)O ZINC000587257239 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)c(Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257240 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(=O)O ZINC000587257241 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(Cl)cc(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257242 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257246 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Cl)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257250 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257251 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587257252 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257253 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)cc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257254 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587257255 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(Br)ccnc2[nH]1 ZINC000587257257 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(I)cc2[nH]1)C(=O)O ZINC000587257259 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587257260 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cnc2[nH]1 ZINC000587257262 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257264 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587257265 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257266 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257268 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587257271 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257272 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257273 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257275 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257277 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)nccc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257280 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(OCCN(C)C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257281 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C)cc2[nH]1)C(=O)O ZINC000587257282 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257284 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OCC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257285 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587257287 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257288 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(C)(C)C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257289 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(C)(C)C)c2[nH]1 ZINC000587257290 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(I)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257291 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3nc4ccccc4nc3cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257292 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257293 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3nc(C)ccc3c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257294 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587257295 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257297 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587257298 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)O ZINC000587257301 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257306 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(I)c2[nH]1)C(=O)O ZINC000587257307 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)cc(OC)c2[nH]1)C(=O)O ZINC000587257308 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)C(=O)O ZINC000587257309 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587257310 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257311 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3nc(O)[nH]c3cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257312 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(=O)O ZINC000587257314 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(C)nc(C)cc2[nH]1)C(=O)O ZINC000587257315 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(CC(=O)OCC)cc2[nH]1)C(=O)O ZINC000587257316 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)c(C(=O)OC)cc2[nH]1)C(=O)O ZINC000587257321 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(C(=O)O)c2[nH]1 ZINC000587257322 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc([N+](=O)[O-])c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257323 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000587257324 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587257325 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)ccc(C)c2[nH]1 ZINC000587257326 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(C)c(C)cc2[nH]1)C(=O)O ZINC000587257327 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cnc2[nH]1 ZINC000587257328 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O ZINC000587257329 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3nc(O)[nH]c3cc2[nH]1 ZINC000587257330 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCCO3 ZINC000587257331 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257335 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C)cc2[nH]1 ZINC000587257336 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C)c2[nH]1 ZINC000587257337 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(CC)cc2[nH]1)C(=O)O ZINC000587257338 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)c(C#N)cc2[nH]1 ZINC000587257340 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(OC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257342 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(C)=O)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257344 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C(=O)OC)c2[nH]1)C(=O)O ZINC000587257345 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257347 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257351 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O ZINC000587257352 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257355 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257357 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000587257359 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587257360 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 ZINC000587257362 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc([N+](=O)[O-])cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257369 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257370 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257372 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257373 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)ccnc2[nH]1 ZINC000587257376 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257378 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)O ZINC000587257380 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C)c(C)c2[nH]1)C(=O)O ZINC000587257387 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCCCO3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257388 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(C)cc2[nH]1 ZINC000587257392 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)nc(C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257393 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257395 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(OC)cc2[nH]1 ZINC000587257399 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257401 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=O)OCC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257403 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257408 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257413 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)cc2[nH]1 ZINC000587257418 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OC)cc2[nH]1 ZINC000587257421 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 ZINC000587257429 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc([C@H](N)N=O)cc2[nH]1 ZINC000587257432 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(I)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257436 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)C(=O)O ZINC000587257439 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257445 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)O ZINC000587257449 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C)c(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257450 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(O)c2[nH]1 ZINC000587257455 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)cc(OC)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257460 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257461 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C(C)(C)C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257462 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(CC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257464 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(OCc3ccccc3)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257465 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257473 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257483 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257492 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)C(C)(C)C)[nH]c21 ZINC000587257508 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 ZINC000587257516 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)CC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257518 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2c1 ZINC000587257535 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1 ZINC000587257557 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(F)c(F)c2[nH]1 ZINC000587257569 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257571 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257572 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257574 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257576 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cnc3ccccc3c2[nH]1 ZINC000587257582 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccccc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257591 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257595 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccccc2[nH]1 ZINC000587257597 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccccc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257599 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CC(=O)OCC)cc2[nH]1 ZINC000587257607 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C)c(C)c2[nH]1 ZINC000587257611 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(OC)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257613 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257615 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)O ZINC000587257616 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)OC)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257617 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587257618 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)O ZINC000587257621 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257625 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)OC)c2[nH]1 ZINC000587257627 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 ZINC000587257631 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257633 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257636 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O ZINC000587257639 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)O ZINC000587257640 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc([C@@H](N)N=O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257642 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc([C@H](N)N=O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257644 KK Annotated Anodyne C=CCc1cccc2nc(C[C@H](CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c12 ZINC000587257646 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)O ZINC000587257647 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(I)cnc(Cl)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257648 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(OC)cc2[nH]1)C(=O)O ZINC000587257649 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C#N)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257651 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)O ZINC000587257653 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587257659 KK Annotated Anodyne C=CCc1cccc2nc(C[C@H](CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c12 ZINC000587257660 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(I)cnc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257664 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257667 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)O)cc2[nH]1 ZINC000587257669 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cnc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257670 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C#N)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257671 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC)cc2[nH]1 ZINC000587257674 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CC(=O)O)CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2c1 ZINC000587257678 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)O ZINC000587257683 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C)nc2[nH]1 ZINC000587257685 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(CC(=O)OCC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257690 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)O ZINC000587257693 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)c(C)cc2[nH]1)C(=O)O ZINC000587257695 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257698 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)c(C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257701 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(OC)c2[nH]1 ZINC000587257702 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(OC(C)C)cc2[nH]1)C(=O)O ZINC000587257704 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)C(=O)O ZINC000587257706 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)O ZINC000587257711 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C#N)c2[nH]1 ZINC000587257713 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257715 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3nc(C)ccc3c2[nH]1 ZINC000587257716 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)O ZINC000587257720 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCCCO3 ZINC000587257723 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257724 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC(C)C)cc2[nH]1 ZINC000587257727 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)nc(C)cc2[nH]1 ZINC000587257728 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(=O)O)c2[nH]1 ZINC000587257731 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)C(=O)O ZINC000587257732 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(I)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257734 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257735 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CCO)cc2[nH]1 ZINC000587257736 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(OC)c(OC)cc2[nH]1)C(=O)O ZINC000587257737 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(I)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257738 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)nccc2[nH]1 ZINC000587257740 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(C)ccc(C)c2[nH]1)C(=O)O ZINC000587257746 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=O)OC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257747 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257752 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)O ZINC000587257753 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257756 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1 ZINC000587257764 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257765 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)NC(=O)CC3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257817 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3cn[nH]c3cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257819 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257826 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257834 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257835 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)CC)cc2[nH]1)C(=O)O ZINC000587257844 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257848 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(F)cnc(Cl)c2[nH]1 ZINC000587257849 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c3cccnc3c3ncccc3c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257850 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(F)cc(C(=O)O)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257851 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CC)cc2[nH]1 ZINC000587257852 KK Annotated Anodyne C=CCc1cccc2nc([C@H](CC(=O)O)CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c12 ZINC000587257853 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OC(C)C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257854 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCCO3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257855 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CC(=O)OCC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257857 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257858 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CO)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257859 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CN3CCOCC3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257863 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(OC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257864 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc3ccccc3cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257865 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)c(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257866 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3ccccc3cc2[nH]1 ZINC000587257867 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(C)cc(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257869 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257870 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(I)c2[nH]1 ZINC000587257872 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587257873 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587257874 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3ccccc3cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257875 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C)c(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257876 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cc(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257878 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=O)OCC)cc2[nH]1)C(=O)O ZINC000587257882 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3nc4ccccc4nc3cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257883 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(C)ccc(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257884 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257886 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587257887 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OCc3ccccc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257888 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257889 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257890 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)C(C)(C)C)[nH]c3cc21 ZINC000587257895 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)O ZINC000587257896 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587257899 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C(C)(C)C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257900 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587257901 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(C)(C)C)cc2[nH]1 ZINC000587257902 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587257906 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)C(=O)O ZINC000587257910 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1)C(=O)O ZINC000587257913 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587257915 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257920 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(C)=O)cc2[nH]1 ZINC000587257922 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c(F)cnc(Br)c2[nH]1 ZINC000587257923 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(SC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257924 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257926 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OCCN(C)C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257929 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(=O)O ZINC000587257931 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)c(OC)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257932 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)O ZINC000587257934 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(I)cc2[nH]1 ZINC000587257936 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 ZINC000587257939 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(F)cnc(Cl)c2[nH]1)C(=O)O ZINC000587257940 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257941 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cccc(OC)c2[nH]1)C(=O)O ZINC000587257942 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257952 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C#N)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257953 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c3cccnc3c3ncccc3c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257955 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 ZINC000587257956 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257958 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(C)ccc(C)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257962 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587257963 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257964 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)c(C)cc2[nH]1 ZINC000587257965 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O ZINC000587257976 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587257980 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)C(=O)O ZINC000587257982 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=O)OC)c(OC)c2[nH]1)C(=O)O ZINC000587257986 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(F)cc2[nH]1 ZINC000587257987 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(C)(C)C)nc2[nH]1 ZINC000587257989 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CCO)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257994 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C(=O)OC)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257997 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cnc3ccccc3c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587257999 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(C)(C)C)nc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258001 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258003 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C[C@H](CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)C(=O)O)[nH]c2c1 ZINC000587258009 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)NC(=O)CC3)C(=O)O ZINC000587258014 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587258025 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587258027 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(SC)cc2[nH]1 ZINC000587258028 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258043 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(SC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258051 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258056 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1)C(=O)O ZINC000587258064 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258069 KK Annotated Anodyne C=CC[C@@](C)(N)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587258072 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(C)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258074 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258075 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(=O)O ZINC000587258082 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OCCN(C)C)cc2[nH]1 ZINC000587258087 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc([N+](=O)[O-])c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258091 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1)C(=O)O ZINC000587258093 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)OC)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258094 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258096 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(=O)O ZINC000587258100 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587258102 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(C(C)(C)C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258104 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O ZINC000587258106 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccccc2[nH]1)C(=O)O ZINC000587258108 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258110 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@H](CC(=O)O)CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c2c1 ZINC000587258111 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)C(=O)O ZINC000587258112 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258114 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(C#N)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258118 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587258121 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(OC(C)C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258124 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(F)cc(C(=O)O)c2[nH]1)C(=O)O ZINC000587258125 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258126 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)O ZINC000587258128 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cccc(OCc3ccccc3)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258130 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(OCc3ccccc3)cc2[nH]1)C(=O)O ZINC000587258132 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(=O)N(C)C)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258133 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CO)cc2[nH]1 ZINC000587258136 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc3nc(C)ccc3c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258139 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc3c(cc2[nH]1)OCO3 ZINC000587258141 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3ncccc3c2[nH]1 ZINC000587258143 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(SC)cc2[nH]1)C(=O)O ZINC000587258145 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C#N)c(C#N)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258146 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cncc(C)c2[nH]1 ZINC000587258147 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)C(=O)O ZINC000587258149 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(Br)c(F)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258150 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)cc(OC)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258153 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc([N+](=O)[O-])c(C)cc2[nH]1 ZINC000587258154 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(C(=O)OC)cc2[nH]1)C(=O)O ZINC000587258156 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3c(c2[nH]1)CCCC3)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258158 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587258159 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(OCCN(C)C)cc2[nH]1)C(=O)O ZINC000587258160 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587258162 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc3ncccc3c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258165 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(I)cnc(Cl)c2[nH]1)C(=O)O ZINC000587258168 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(=O)O ZINC000587258169 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587258170 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc([N+](=O)[O-])cc2[nH]1)C(=O)O ZINC000587258172 KK Annotated Bother C=CC[C@@](C)(N)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587258173 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(C(C)=O)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258174 KK Annotated Anodyne C=CCc1cccc2nc([C@H](CC(=O)O)CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)[nH]c12 ZINC000587258176 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(OC)c(F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258178 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)C(=O)O ZINC000587258180 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2c(F)cnc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258181 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCO3)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258182 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cccc(OC)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258183 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258184 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587258186 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2c(C)nc(C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258187 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)C(=O)O ZINC000587258188 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258189 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1)C(=O)O ZINC000587258192 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(OC)c(C)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587258195 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(C)cc(C)c2[nH]1 ZINC000587258199 KK Annotated Anodyne CC(C)CCOc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1Br ZINC000587258209 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCC(=O)Nc4ccc5ccccc5c4)[nH]c3cc21 ZINC000587258226 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c21 ZINC000587258261 KK Annotated Clean N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587258338 KK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587258345 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)C(C)C)[nH]c3cc21 ZINC000587258405 KK Annotated Clean N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587258494 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)C(C)(C)C)[nH]c3cc21 ZINC000587258520 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCC(=O)Nc4ccc5ccccc5c4)[nH]c3cc21 ZINC000587258574 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](N)c4cccc5ccccc45)[nH]c3cc21 ZINC000587258596 KK Annotated Anodyne N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587258641 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCCNC(N)=O)[nH]c21 ZINC000587258657 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc1-2 ZINC000587258730 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](N)c3cccc4ccccc34)[nH]c21 ZINC000587258772 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCNC(N)=O)[nH]c3cc21 ZINC000587258830 KK Annotated Clean N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 ZINC000587258901 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587258911 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587258913 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587258921 KK Annotated Mild Cc1c(Br)cnc2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc12 ZINC000587258937 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cnc3ccccc3c2[nH]1 ZINC000587258944 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587258990 KK Annotated Mild N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587259006 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)CCCN=C(NC(=O)OCc5ccccc5)NC(=O)OCc5ccccc5)[nH]c4c3)o2)cc1 ZINC000587259007 KK Annotated Mild Nc1ccc(-c2ccc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)cc1N ZINC000587259016 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 ZINC000587259017 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](N)c4cccc5ccccc45)[nH]c3cc21 ZINC000587259020 KK Annotated Clean N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc3ccccc3cc2[nH]1 ZINC000587259164 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587259203 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587259207 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCC(=O)OC)[nH]c3cc21 ZINC000587259341 KK Annotated Clean Cc1c(Br)ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587259358 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587259366 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587259379 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587259388 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587259391 KK Annotated Mild Cc1cc(Br)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587259402 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587259420 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587259438 KK Annotated Mild CCCCOc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587259440 KK Annotated Mild COc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Cl ZINC000587259454 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 ZINC000587259458 KK Annotated Mild Cc1ccc2c(ccc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c32)n1 ZINC000587259459 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587259461 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587259471 KK Annotated Mild Cc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Cl ZINC000587259486 KK Annotated Mild CSc1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587259487 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587259500 KK Annotated Mild N[C@@H](Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1)c1cccc2ccccc12 ZINC000587259505 KK Annotated Anodyne N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587259506 KK Annotated Anodyne N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(I)cc2[nH]1 ZINC000587259522 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587259526 KK Annotated Reactive Cc1c(Cl)ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587259527 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587259530 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(Br)c2[nH]1 ZINC000587259536 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 ZINC000587259539 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCCCN=[N+]=[N-])[nH]c3cc21 ZINC000587259648 KK Annotated Clean N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587259657 KK Annotated Mild COC(=O)c1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587259664 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc1-2 ZINC000587259672 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587259680 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(C(F)(F)F)c2[nH]1 ZINC000587259694 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c21 ZINC000587259700 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 ZINC000587259728 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 ZINC000587259731 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)C(C)C)[nH]c21 ZINC000587259739 KK Annotated Clean N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587259745 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587259768 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc3ncccc3c2[nH]1 ZINC000587259775 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587259776 KK Annotated Mild Cc1cc(Cl)cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587259781 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587259782 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(I)c2[nH]1 ZINC000587259783 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCNC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587259784 KK Annotated Anodyne N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587259794 KK Annotated Mild Nc1ccc(Oc2ccc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587259796 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587259815 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587259825 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Cl)cc2[nH]1 ZINC000587259828 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cccc(Cl)c2[nH]1 ZINC000587259838 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 ZINC000587259840 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587259843 KK Annotated Reactive N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587259846 KK Annotated Mild CC(C)(C)c1cccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587259849 KK Annotated Mild CCc1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587259865 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587259875 KK Annotated Mild Cc1cc(Br)cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587259880 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587259881 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587259886 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587259899 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587259900 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587259915 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587259919 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587259921 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587259922 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587260008 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587260013 KK Annotated Mild CCCOc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587260021 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587260022 KK Annotated Mild Cc1c(Br)cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1C ZINC000587260030 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587260039 KK Annotated Mild N#Cc1cc(Cl)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587260040 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587260041 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587260045 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587260050 KK Annotated Mild CC(C)(C)c1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587260071 KK Annotated Mild C=CCc1cccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 ZINC000587260072 KK Annotated Mild Cc1nc2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2cc1Br ZINC000587260097 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587260103 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587260115 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCC(=O)OC)[nH]c21 ZINC000587260120 KK Annotated Clean N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000587260129 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c21 ZINC000587260138 KK Annotated Clean Cc1ccc(C)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc12 ZINC000587260143 KK Annotated Mild CC(C)(C)c1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2n1 ZINC000587260145 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)cc1 ZINC000587260146 KK Annotated Mild N#Cc1cc(Br)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587260154 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587260155 KK Annotated Mild N#Cc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1C(F)(F)F ZINC000587260166 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587260187 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587260194 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3cccc(C(N)=O)c3)[nH]c21 ZINC000587260263 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCCCN=[N+]=[N-])[nH]c21 ZINC000587260297 KK Annotated Clean CC(C)COc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587260314 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587260324 KK Annotated Mild CCCCCOc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587260325 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587260338 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587260351 KK Annotated Mild Cc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587260357 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 ZINC000587260365 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Br)cc2[nH]1 ZINC000587260372 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587260381 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](N)CCCN=C(NC(=O)OCc4ccccc4)NC(=O)OCc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587260390 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587260404 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 ZINC000587260405 KK Annotated Mild Cc1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1C ZINC000587260409 KK Annotated Mild CC(C)Oc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587260413 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000587260418 KK Annotated Mild Cc1cc(C)c2[nH]c([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc2c1 ZINC000587260420 KK Annotated Mild Cc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1C ZINC000587260430 KK Annotated Mild CC(C)CCOc1cc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cc1Br ZINC000587260438 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587260439 KK Annotated Mild CC(C)Oc1ccc2nc([C@@H](N)CCCN=C(NC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2c1 ZINC000587260444 KK Annotated Mild N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587260462 KK Annotated Reactive N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587260477 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587260479 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 ZINC000587260481 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587260500 KK Annotated Mild N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 ZINC000587260501 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCCCN=[N+]=[N-])[nH]c3cc21 ZINC000587260584 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4cccc(C(N)=O)c4)[nH]c3cc21 ZINC000587260623 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)cc([N+](=O)[O-])c4OC)[nH]c3cc21 ZINC000587260756 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc([N+](=O)[O-])c3C)[nH]c21 ZINC000587260798 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cccc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587260842 KK Annotated Bother COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260875 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c21 ZINC000587260887 KK Annotated Clean COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 ZINC000587260972 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cc(OC)cc([N+](=O)[O-])c3OC)[nH]c2cc1Br ZINC000587260985 KK Annotated Mild Cc1c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cccc1[N+](=O)[O-] ZINC000587261031 KK Annotated Bother COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(OC)c([N+](=O)[O-])c1 ZINC000587261101 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587261153 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c21 ZINC000587261388 KK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587261444 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587261447 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587261457 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587261459 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(C=O)C=O)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587261465 KK Annotated Mild CCCCCCCCOc1cc2nc(-c3ccc(NCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587261519 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C(C=O)C=O)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587261691 KK Annotated Mild O=CC(C=O)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587261743 KK Annotated Reactive Cc1cc(C#Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587261783 KK Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587261838 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587261839 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587261859 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587261860 KK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587261901 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587261952 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587261953 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c21 ZINC000587261992 KK Annotated Mild CCCCCCCCOc1cc2nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587262085 KK Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587262245 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587262246 KK Annotated Bother COCCNc1ccc(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262361 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C#Cc3ccc([N+](=O)[O-])c(C)c3)[nH]c21 ZINC000587262363 KK Annotated Mild COCCNc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587262383 KK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587262460 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3cc21 ZINC000587262465 KK Annotated Clean NC(=O)c1cc(N2CCC(c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587262528 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c3cc21 ZINC000587262554 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(NCCOC)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587262566 KK Annotated Clean COc1cc(OCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1[N+](=O)[O-] ZINC000587262571 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(C(C=O)C=O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587262576 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(c5ccc([N+](=O)[O-])c(C(N)=O)c5)CC4)[nH]c3cc21 ZINC000587262598 KK Annotated Clean COCCNc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587262602 KK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587262635 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587262637 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587262724 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587262727 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587262735 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3cc21 ZINC000587262737 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOc3cc(C)ccc3[N+](=O)[O-])[nH]c21 ZINC000587262750 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C#Cc4ccc([N+](=O)[O-])c(C)c4)[nH]c3cc21 ZINC000587262788 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C#Cc4ccc([N+](=O)[O-])c(C)c4)[nH]c3cc21 ZINC000587262794 KK Annotated Mild CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587262835 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587262837 KK Annotated Bother Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587262843 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCOc4cc(C)ccc4[N+](=O)[O-])[nH]c3cc21 ZINC000587262869 KK Annotated Bother CCCCCCCCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587262884 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c21 ZINC000587262924 KK Annotated Clean NC(=O)c1cc(N2CCC(c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263000 KK Annotated Bother NC(=O)c1cc(N2CCC(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263001 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587263007 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587263008 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3C(=O)C[C@H](C)[C@H]3C[N+](=O)[O-])[nH]c21 ZINC000587263048 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3C(=O)C[C@@H](C)[C@H]3C[N+](=O)[O-])[nH]c21 ZINC000587263049 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3C(=O)C[C@H](C)[C@@H]3C[N+](=O)[O-])[nH]c21 ZINC000587263050 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3C(=O)C[C@@H](C)[C@@H]3C[N+](=O)[O-])[nH]c21 ZINC000587263051 KK Annotated Clean CC(C)CCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587263084 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc([N+](=O)[O-])c(OC)c4)[nH]c3cc21 ZINC000587263141 KK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587263205 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587263207 KK Annotated Bother COc1cc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1[N+](=O)[O-] ZINC000587263212 KK Annotated Bother CCCCCOc1cc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2cc1Br ZINC000587263241 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c21 ZINC000587263293 KK Annotated Clean COc1cc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] ZINC000587263304 KK Annotated Reactive NC(=O)c1cc(N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263332 KK Annotated Reactive CCCCCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])c(OC)c3)[nH]c2cc1Br ZINC000587263344 KK Annotated Mild NC(=O)c1cc(N2CCC(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000587263405 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587263406 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587263408 KK Annotated Bother CCCCCOc1cc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263467 KK Annotated Bother CCCCCOc1cc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263468 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587263637 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587263640 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587263710 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587263716 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263817 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263820 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587263870 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587263871 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587263872 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587263873 KK Annotated Mild C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587263949 KK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587263950 KK Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587263952 KK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587263953 KK Annotated Bother CCCCOc1cc2nc([C@@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263963 KK Annotated Bother CCCCOc1cc2nc([C@H](C)Oc3c(OCC)cc(C=O)cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587263965 KK Annotated Bother CCCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587263975 KK Annotated Bother CCCCCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587263978 KK Annotated Bother CCCCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587263979 KK Annotated Bother CCCCCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587263981 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587263985 KK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587263987 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587263999 KK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587264017 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587264018 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587264085 KK Annotated Bother COCCOc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1[N+](=O)[O-] ZINC000587264123 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587264141 KK Annotated Mild CCCCCCCCOc1cc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587264233 KK Annotated Mild O=C(O)c1cc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587264272 KK Annotated Bother O=[N+]([O-])c1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264344 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c21 ZINC000587264346 KK Annotated Clean Cc1nn(Cc2ccccc2-c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264487 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3cc21 ZINC000587264493 KK Annotated Clean CCCCCCCCOc1cc2[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Br ZINC000587264509 KK Annotated Mild COCCOc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1[N+](=O)[O-] ZINC000587264585 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c12 ZINC000587264586 KK Annotated Bother CC(C)CCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587264587 KK Annotated Bother CC(C)CCOc1cc2nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587264588 KK Annotated Bother CC(C)CCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c2cc1Br ZINC000587264590 KK Annotated Bother CC(C)CCOc1cc2nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c2cc1Br ZINC000587264593 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000587264607 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587264664 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccccc5[N+](=O)[O-])o4)nc3cc21 ZINC000587264679 KK Annotated Bother COCCOc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] ZINC000587264734 KK Annotated Reactive N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587264764 KK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587264773 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587264774 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587264806 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587264808 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587264858 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587264859 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587264866 KK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587264867 KK Annotated Reactive O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3c4ccccc4c4ccccc4c3[nH]2)c([N+](=O)[O-])c1 ZINC000587264892 KK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587264956 KK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587264962 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587264963 KK Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587264964 KK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587264966 KK Annotated Bother CCCCCCCCOc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587264990 KK Annotated Mild CCCCOc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587265046 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587265136 KK Annotated Clean O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)ccc3[nH]2)o1 ZINC000587265140 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587265145 KK Annotated Reactive Cc1nn(Cc2ccccc2-c2nc3c(Br)ccc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265168 KK Annotated Bother O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)o1 ZINC000587265196 KK Annotated Reactive CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587265202 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587265204 KK Annotated Bother COCCNc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1[N+](=O)[O-] ZINC000587265263 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587265300 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587265303 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587265362 KK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587265366 KK Annotated Clean CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587265369 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587265371 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3cc21 ZINC000587265393 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3cc21 ZINC000587265397 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3cc21 ZINC000587265400 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587265403 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3cc21 ZINC000587265404 KK Annotated Clean O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587265441 KK Annotated Bother CC(C)CCOc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587265493 KK Annotated Bother CCCCCOc1cc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587265501 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587265635 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2cc1Br ZINC000587265665 KK Annotated Mild Cc1nn(Cc2ccccc2-c2nc3cc(Br)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587265734 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587265801 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587265811 KK Annotated Bother O=C(O)c1cc2[nH]c(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587265820 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587265822 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587265827 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587265877 KK Annotated Bother CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587265882 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c21 ZINC000587265935 KK Annotated Clean C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587265937 KK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587265942 KK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587265947 KK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587265952 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccc(O)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587266073 KK Annotated Clean C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587266077 KK Annotated Bother C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587266078 KK Annotated Bother C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587266079 KK Annotated Bother C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587266080 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc([C@H](C)Nc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])[nH]c4c3)o2)cc1 ZINC000587266205 KK Annotated Bother O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587266217 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587266245 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587266311 KK Annotated Bother O=C(O)c1cc2nc(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587266385 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OCCOC)c([N+](=O)[O-])c3)[nH]c21 ZINC000587266439 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c21 ZINC000587266457 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OCCOC)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587266521 KK Annotated Clean C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587266675 KK Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266754 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587266763 KK Annotated Bother C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587266791 KK Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266804 KK Annotated Reactive O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 ZINC000587266835 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587266861 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587266862 KK Annotated Bother CCCCCCCCOc1cc2nc([C@H](C)Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1Br ZINC000587266886 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c21 ZINC000587266905 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](C)O)[nH]c21 ZINC000587266906 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c21 ZINC000587266909 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](C)O)[nH]c21 ZINC000587266913 KK Annotated Clean O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(Sc4ccccc4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587266963 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c21 ZINC000587267009 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOCCOCCOCCOCCNc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[nH]c3cc21 ZINC000587267023 KK Annotated Clean O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CCOCCOCCOCCOCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12 ZINC000587267065 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267081 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267168 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267175 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587267224 KK Annotated Clean Cc1nn(Cc2ccccc2-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267227 KK Annotated Bother C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587267297 KK Annotated Reactive C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587267298 KK Annotated Reactive C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587267300 KK Annotated Reactive C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587267303 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3cc21 ZINC000587267336 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3cc21 ZINC000587267338 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@H](C)O)[nH]c3cc21 ZINC000587267341 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])[C@@H](C)O)[nH]c3cc21 ZINC000587267342 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267434 KK Annotated Bother O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c([N+](=O)[O-])c1 ZINC000587267452 KK Annotated Bother COC(=O)c1cc2nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587267549 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cnc(N)c([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587267600 KK Annotated Clean Cc1nn(Cc2ccccc2-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267653 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c21 ZINC000587267674 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)n3ncc([N+](=O)[O-])c3C)[nH]c21 ZINC000587267678 KK Annotated Clean Cc1nn(Cc2ccccc2-c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267744 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)[nH]c21 ZINC000587267813 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4Cn4nc(C)c([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587267829 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587267835 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cnc(N)c([N+](=O)[O-])c3)[nH]c21 ZINC000587267921 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc(-c5ccccc5Cn5nc(C)c([N+](=O)[O-])c5C)[nH]c4c3)o2)cc1 ZINC000587267996 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268000 KK Annotated Bother Cc1nn(Cc2ccccc2-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)c1[N+](=O)[O-] ZINC000587268092 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587268128 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4ncc([N+](=O)[O-])c4C)[nH]c3cc21 ZINC000587268130 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3c([N+](=O)[O-])cnn3C(C)C)[nH]c21 ZINC000587268195 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4c([N+](=O)[O-])cnn4C(C)C)[nH]c3cc21 ZINC000587268316 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4c([N+](=O)[O-])cnn4C(C)C)[nH]c3cc21 ZINC000587268449 KK Annotated Clean CC(C)n1ncc([N+](=O)[O-])c1Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587268476 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc3cc21 ZINC000587268679 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587268700 KK Annotated Bother CCCCCCCCOc1cc2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2cc1Br ZINC000587268730 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3cc21 ZINC000587268752 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587268787 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3cc21 ZINC000587268789 KK Annotated Clean O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587268800 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4cc([N+](=O)[O-])c(C)o4)nc3cc21 ZINC000587268865 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 ZINC000587268875 KK Annotated Bother O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nn2)c1 ZINC000587268922 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2cc1Br ZINC000587268959 KK Annotated Mild O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587268976 KK Annotated Reactive O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587268987 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3cc21 ZINC000587269024 KK Annotated Clean O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12 ZINC000587269116 KK Annotated Bother CCCCCOc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587269190 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC1 ZINC000587269199 KK Annotated Bother COC(=O)c1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c(F)c1Nc1ccccc1 ZINC000587269201 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cn(-c5cccc([N+](=O)[O-])c5)nn4)[nH]c3cc21 ZINC000587269218 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 ZINC000587269268 KK Annotated Bother COC(=O)c1ccc(Oc2ccc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3c2)cc1 ZINC000587269271 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587269280 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000587269324 KK Annotated Clean O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587269335 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])ccc4N4CCCC4)[nH]c3cc21 ZINC000587269344 KK Annotated Clean O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587269353 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c2cc1Br ZINC000587269363 KK Annotated Mild O=C(O)c1cc2[nH]c(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587269386 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587269440 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000587269487 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c21 ZINC000587269532 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3cc([N+](=O)[O-])c(C)o3)nc21 ZINC000587269570 KK Annotated Clean CC(C)CCOc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587269669 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c21 ZINC000587269687 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CNc4ncccc4[N+](=O)[O-])[nH]c3cc21 ZINC000587269693 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CNc3ncccc3[N+](=O)[O-])[nH]c21 ZINC000587269727 KK Annotated Clean O=C(O)c1cc2[nH]c(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587269749 KK Annotated Bother O=C(O)c1cc2[nH]c(CCc3cccc([N+](=O)[O-])c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587269791 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c21 ZINC000587269852 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4cccc([N+](=O)[O-])c4)[nH]c3cc21 ZINC000587269859 KK Annotated Clean O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587269941 KK Annotated Reactive O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587269944 KK Annotated Bother CC(C)COc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587270110 KK Annotated Bother CCCCOc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587270141 KK Annotated Bother O=C(O)c1cc2[nH]c(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587270147 KK Annotated Bother CCCCCCCCOc1cc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2cc1Br ZINC000587270205 KK Annotated Mild O=[N+]([O-])c1cccc(-c2cncc(-c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)c2)c1 ZINC000587270283 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)[nH]c21 ZINC000587270356 KK Annotated Clean CCCCCCCCOc1cc2nc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)[nH]c2cc1Br ZINC000587270464 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc([N+](=O)[O-])cc4C=O)[nH]c3cc21 ZINC000587270466 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000587270512 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c21 ZINC000587270593 KK Annotated Clean O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 ZINC000587270604 KK Annotated Bother O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 ZINC000587270629 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3cc21 ZINC000587270702 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3cccc([N+](=O)[O-])c3)[nH]c21 ZINC000587270710 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3cc21 ZINC000587270728 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000587270808 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](N)Cc4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000587270827 KK Annotated Bother Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cncc(-c4cccc([N+](=O)[O-])c4)c3)nc1-2 ZINC000587270850 KK Annotated Bother N[C@@H](CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000587270878 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cncc(-c5cccc([N+](=O)[O-])c5)c4)[nH]c3cc21 ZINC000587270954 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C4CCN(C(=O)c5ccc([N+](=O)[O-])cc5)CC4)[nH]c3cc21 ZINC000587271056 KK Annotated Bother CCCCCCCCOc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1Br ZINC000587271313 KK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271424 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271427 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271429 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271431 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271496 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271497 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271498 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(OC(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271499 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc1-2 ZINC000587271559 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)[nH]c21 ZINC000587271576 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c21 ZINC000587271665 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)[nH]c12 ZINC000587271847 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[nH]c3cc21 ZINC000587271866 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587271956 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587271958 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587271959 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)cnc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587271960 KK Annotated Clean CCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587271985 KK Annotated Clean CCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587271988 KK Annotated Clean CCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587271989 KK Annotated Clean CCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587271990 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272002 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272003 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272004 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(Br)ccc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272007 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272157 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272159 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272160 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272161 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272169 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272171 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272173 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272174 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272244 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272248 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272250 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272252 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272253 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272254 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272256 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OC(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272258 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)nc21 ZINC000587272360 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272400 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272402 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272403 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCCC(C)C)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272404 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587272431 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587272437 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587272439 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(OCc4ccccc4)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272440 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587272558 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587272560 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Br ZINC000587272561 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Br ZINC000587272563 KK Annotated Mild O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587272670 KK Annotated Reactive Cc1c(NS(=O)(=O)c2ccc3nc(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587272682 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3cc21 ZINC000587272761 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587272994 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587273000 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587273002 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587273006 KK Annotated Clean O=C(O)c1cc2[nH]c(-c3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587273051 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCn4ccc([N+](=O)[O-])n4)[nH]c3cc21 ZINC000587273129 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cn4c([N+](=O)[O-])cnc4C)[nH]c3cc21 ZINC000587273332 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])nn3C)[nH]c21 ZINC000587273473 KK Annotated Clean CC[C@@H](Oc1ccc(Br)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273941 KK Annotated Anodyne CC[C@H](Oc1ccc(Br)cc1Cl)C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587273949 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c21 ZINC000587274014 KK Annotated Clean CCCCCCCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274103 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCC(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587274374 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cn3c([N+](=O)[O-])cnc3C)[nH]c21 ZINC000587274682 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000587274946 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Cn3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000587274947 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587275012 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Cn4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587275014 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc([N+](=O)[O-])nn4C)[nH]c3cc21 ZINC000587275205 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)n3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000587275369 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)n3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000587275370 KK Annotated Clean O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275461 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)c3c(CO)oc4cc(Br)cnc34)cc12 ZINC000587275519 KK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275623 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275627 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275628 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(I)cnc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275629 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587275673 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c1 ZINC000587275676 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587275678 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c1 ZINC000587275680 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587275737 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587275739 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587275743 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587275745 KK Annotated Clean CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4c(CO)oc5cc(Br)cnc45)c3n2)cc1 ZINC000587275802 KK Annotated Anodyne COc1ccccc1-c1cc(C(F)(F)F)nc(SCCCC(=O)c2c(CO)oc3cc(Br)cnc23)n1 ZINC000587275808 KK Annotated Anodyne O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587275961 KK Annotated Anodyne CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4c(CO)oc5cc(Br)cnc45)cc3n2)cc1 ZINC000587275969 KK Annotated Anodyne COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587276108 KK Annotated Clean COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587276111 KK Annotated Clean COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587276112 KK Annotated Clean COC(=O)c1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2c(F)c1Nc1ccccc1 ZINC000587276113 KK Annotated Clean O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276294 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)C(=O)c1c(CO)oc2cc(Br)cnc12)OCC1c2ccccc2-c2ccccc21 ZINC000587276301 KK Annotated Anodyne C[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587276304 KK Annotated Anodyne C[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)n1nc(C(F)(F)F)c(Br)c1C1CC1 ZINC000587276309 KK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276310 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276312 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276313 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276314 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276336 KK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276338 KK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276340 KK Annotated Reactive Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276343 KK Annotated Reactive COc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1COc1cccc(Cl)c1Cl ZINC000587276358 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)c4c(CO)oc5cc(Br)cnc45)cc3n2)cc1 ZINC000587276390 KK Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12 ZINC000587276420 KK Annotated Anodyne Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587276542 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587276543 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587276544 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587276545 KK Annotated Clean O=C(c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276633 KK Annotated Anodyne O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276671 KK Annotated Anodyne O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276674 KK Annotated Mild O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)c1c(CO)oc2cc(Br)cnc12 ZINC000587276679 KK Annotated Anodyne O=C(c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276693 KK Annotated Anodyne Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)c4c(CO)oc5cc(Br)cnc45)c3n2)cc1 ZINC000587276701 KK Annotated Anodyne O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587276891 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4c(CO)oc5cc(Br)cnc45)c3n2)cc1 ZINC000587276894 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@H]54)[nH]c3cc21 ZINC000587276921 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@@H]54)[nH]c3cc21 ZINC000587276929 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@@H]54)[nH]c3cc21 ZINC000587276934 KK Annotated Clean O=C(c1c(CO)oc2cc(Br)cnc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587276939 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@H]54)[nH]c3cc21 ZINC000587276942 KK Annotated Clean O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1c(CO)oc2cc(Br)cnc12 ZINC000587276948 KK Annotated Anodyne Cc1cccc(-c2cc(C(=O)c3c(CO)oc4cc(Br)cnc34)c3cccc(Cl)c3n2)c1 ZINC000587276999 KK Annotated Anodyne O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277008 KK Annotated Anodyne O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)c1c(CO)oc2cc(Br)cnc12 ZINC000587277015 KK Annotated Anodyne O=C(Cl)CCOCC(COCCC(=O)Cl)(COCCC(=O)Cl)COCCC(=O)c1coc2ccc(Cl)cc12 ZINC000587277018 KK Annotated Reactive O=C(CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1c(CO)oc2cc(Br)cnc12 ZINC000587277024 KK Annotated Anodyne O=C(c1c(CO)oc2cc(Br)cnc12)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12 ZINC000587277049 KK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)c4c(CO)oc5cc(Br)cnc45)c3n2)s1 ZINC000587277089 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587277266 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)n4cc([N+](=O)[O-])cn4)[nH]c3cc21 ZINC000587277267 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277368 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277369 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277370 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277371 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277460 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277461 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277462 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277463 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5Nc6c(C)cc([N+](=O)[O-])cc6[C@@H]6C=CC[C@H]65)[nH]c4c3)o2)cc1 ZINC000587277510 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5Nc6c(C)cc([N+](=O)[O-])cc6[C@H]6C=CC[C@@H]65)[nH]c4c3)o2)cc1 ZINC000587277511 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5Nc6c(C)cc([N+](=O)[O-])cc6[C@H]6C=CC[C@H]65)[nH]c4c3)o2)cc1 ZINC000587277512 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5Nc6c(C)cc([N+](=O)[O-])cc6[C@@H]6C=CC[C@@H]65)[nH]c4c3)o2)cc1 ZINC000587277513 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@H]54)[nH]c3cc21 ZINC000587277522 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@H]54)[nH]c3cc21 ZINC000587277523 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@@H]54)[nH]c3cc21 ZINC000587277524 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@@H]54)[nH]c3cc21 ZINC000587277525 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 ZINC000587277546 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 ZINC000587277547 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 ZINC000587277548 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 ZINC000587277549 KK Annotated Clean N#Cc1ccc2c(C(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)coc2c1 ZINC000587277621 KK Annotated Mild Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)[C@@H]1CC=C[C@H]21 ZINC000587277674 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)[C@@H]1CC=C[C@@H]21 ZINC000587277676 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)[C@H]1CC=C[C@@H]21 ZINC000587277679 KK Annotated Clean Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n1)[C@H]1CC=C[C@H]21 ZINC000587277681 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c21 ZINC000587277682 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c21 ZINC000587277683 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c21 ZINC000587277686 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c21 ZINC000587277689 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587277693 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@@H]54)[nH]c3c2)cc1 ZINC000587277695 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1 ZINC000587277696 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4Nc5c(C)cc([N+](=O)[O-])cc5[C@@H]5C=CC[C@@H]54)[nH]c3c2)cc1 ZINC000587277698 KK Annotated Clean O=C(CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2ccc(Cl)cc12 ZINC000587277775 KK Annotated Anodyne N#Cc1ccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)coc2c1 ZINC000587277934 KK Annotated Mild O=C(c1coc2ccc(Cl)cc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587278197 KK Annotated Mild O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)c1coc2ccc(Cl)cc12 ZINC000587278443 KK Annotated Anodyne N#Cc1ccc2c(C(=O)c3cc4nc(-c5ccc(F)cc5)cc(C(F)(F)C(F)(F)F)n4n3)coc2c1 ZINC000587278583 KK Annotated Mild COc1ccccc1-c1cc(C(F)(F)F)nc(SCCCC(=O)c2coc3ccc(Cl)cc23)n1 ZINC000587278734 KK Annotated Anodyne O=C(CCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2ccc(Cl)cc12 ZINC000587278735 KK Annotated Anodyne N#Cc1ccc2c(C(=O)CCCS(=O)(=O)c3nc(-c4cccs4)cc(C(F)(F)F)n3)coc2c1 ZINC000587278901 KK Annotated Mild O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1coc2ccc(Cl)cc12 ZINC000587279152 KK Annotated Mild O=C(CCCS(=O)(=O)c1nc(-c2cccs2)cc(C(F)(F)F)n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587279811 KK Annotated Bother O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280051 KK Annotated Bother COc1ccccc1-c1cc(C(F)(F)F)nc(SCCCC(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 ZINC000587280203 KK Annotated Bother O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280242 KK Annotated Mild O=C(c1coc2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587280286 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)C(=O)c1coc2cc([N+](=O)[O-])ccc12)OCC1c2ccccc2-c2ccccc21 ZINC000587280405 KK Annotated Bother O=C(c1cc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)n2n1)c1coc2cc([N+](=O)[O-])ccc12 ZINC000587280428 KK Annotated Bother O=C(c1coc2cc([N+](=O)[O-])ccc12)c1cnn2c(C(F)(F)F)cc(-c3cccc4ccccc34)nc12 ZINC000587280511 KK Annotated Bother O=C(c1coc2ccccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587280870 KK Annotated Mild O=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1coc2ccccc12 ZINC000587280932 KK Annotated Mild CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@]1(Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)c1ccccc1C3=O ZINC000587281682 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@@]1(Oc2cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)c1ccccc1C3=O ZINC000587281683 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587282423 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587282424 KK Annotated Anodyne CCc1oc2ccccc2c1[C@]1(c2cc(Br)c(O)c(Br)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587282782 KK Annotated Anodyne CCc1oc2ccccc2c1[C@@]1(c2cc(Br)c(O)c(Br)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587282786 KK Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(c4ccccc4OC(=O)[C@H]2[C@H]2C[C@@H](c4ccc(-c5ccc(Br)cc5)cc4)Cc4ccccc42)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587284450 KK Annotated Anodyne O=C1Oc2ccccc2[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)[C@@H]1[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587284458 KK Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(c4ccccc4OC(=O)[C@H]2[C@H]2C[C@H](c4ccc(-c5ccc(Br)cc5)cc4)Cc4ccccc42)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587284462 KK Annotated Anodyne O=C1Oc2ccccc2[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)[C@@H]1[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587284468 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587285072 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587285073 KK Annotated Reactive CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1Br ZINC000587286009 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1Br ZINC000587286011 KK Annotated Anodyne Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@]3(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c3cc(Cl)ccc32)c(C)c1 ZINC000587287436 KK Annotated Anodyne Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@]3(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)c3cc(Cl)ccc32)c(C)c1 ZINC000587287440 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587290877 KK Annotated Mild COc1ccc([C@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587290879 KK Annotated Mild Cn1cc([C@]2(c3ccccc3F)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587291033 KK Annotated Reactive Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587291039 KK Annotated Reactive O=C1Oc2ccccc2[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)[C@@H]1[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587291107 KK Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(c4ccccc4OC(=O)[C@H]2[C@H]2C[C@H](c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)Cc4ccccc42)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587291112 KK Annotated Anodyne O=C1Oc2ccccc2[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)[C@@H]1[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587291114 KK Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@]2(c4ccccc4OC(=O)[C@H]2[C@H]2C[C@@H](c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)Cc4ccccc42)[C@@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587291117 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587292401 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587292404 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587292407 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587292409 KK Annotated Anodyne CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587292569 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587292571 KK Annotated Mild Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587294407 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587294413 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587294521 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587294528 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1-c1ccccc1F ZINC000587294545 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1-c1ccccc1F ZINC000587294546 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587294805 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587294808 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587295003 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587295010 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587295347 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587295351 KK Annotated Clean CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1-c1ccc(F)cc1 ZINC000587295451 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1-c1ccc(F)cc1 ZINC000587295453 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1-c1cccc(F)c1 ZINC000587295861 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1-c1cccc(F)c1 ZINC000587295862 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587296101 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587296104 KK Annotated Anodyne NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)c1cc(OCCCN)ccc1-4 ZINC000587296628 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)c1cc(OCCCN)ccc1-4 ZINC000587296629 KK Annotated Bother CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2[N+](=O)[O-])cc1 ZINC000587296892 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)cc2[N+](=O)[O-])cc1 ZINC000587296893 KK Annotated Mild CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)ccc21 ZINC000587298944 KK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)ccc21 ZINC000587298946 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)ccc21 ZINC000587298948 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)ccc21 ZINC000587298949 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587299548 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587299550 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587299998 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587299999 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302294 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302295 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302298 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302301 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587302485 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587302490 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302765 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302772 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302777 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c2ccccc21 ZINC000587302783 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587302857 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587302861 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587303853 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587303857 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587303860 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587303864 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587304101 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000587304102 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)cc8c7C(=O)[C@H]6[C@@H](c6ccc(O)cc6)O8)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587306004 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)cc8c7C(=O)[C@H]6[C@@H](c6ccc(O)cc6)O8)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587306009 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(Oc7cc(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)cc8c7C(=O)[C@H]6[C@@H](c6ccc(O)cc6)O8)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587306012 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(Oc7cc(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)cc8c7C(=O)[C@H]6[C@@H](c6ccc(O)cc6)O8)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587306015 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1=O ZINC000587306642 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1=O ZINC000587306645 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1=O ZINC000587306648 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1=O ZINC000587306651 KK Annotated Mild COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587306879 KK Annotated Anodyne COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587306888 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587308357 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587308358 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587309072 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587309086 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587309089 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587309097 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)=C(OC)C1=O ZINC000587309989 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)=C(OC)C1=O ZINC000587309990 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)=C(OC)C1=O ZINC000587309991 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)=C(OC)C1=O ZINC000587309992 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311467 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311469 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311471 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311472 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311473 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311474 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311475 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@]4(C)Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)CC[C@H]32)C1 ZINC000587311476 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)C(C)(C)[C@H]2CC[C@]13C ZINC000587311599 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)C(C)(C)[C@@H]2CC[C@]13C ZINC000587311604 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)C(C)(C)[C@@H]2CC[C@]13C ZINC000587311608 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)C(C)(C)[C@H]2CC[C@]13C ZINC000587311611 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587312443 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587312444 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587312445 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587312446 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)(C)C1=O ZINC000587312532 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)(C)C1=O ZINC000587312536 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)(C)C1=O ZINC000587312537 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C(C)(C)C1=O ZINC000587312541 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(Oc7cc(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)cc8c7C(=O)[C@H]6[C@@H](c6ccc(O)cc6)O8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587312593 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(Oc7cc(O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)cc8c7C(=O)[C@H]6[C@@H](c6ccc(O)cc6)O8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587312596 KK Annotated Mild COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587312717 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587312718 KK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587313953 KK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)Oc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1C(=O)[C@H]5[C@@H](c1ccc(O)cc1)O2 ZINC000587313959 KK Annotated Anodyne CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@@H](c1ccc(O)cc1O)[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587314132 KK Annotated Anodyne CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@@H](c1ccc(O)cc1O)[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587314135 KK Annotated Anodyne CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@H](c1ccc(O)cc1O)[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587314138 KK Annotated Anodyne CC(C)=CCc1cc2c(c(CC=C(C)C)c1O)OC[C@H](c1ccc(O)cc1O)[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587314141 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)C(C)(C)[C@@H]3CC[C@]12C ZINC000587314849 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)C(C)(C)[C@@H]3CC[C@]12C ZINC000587314850 KK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587315663 KK Annotated Anodyne CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587315664 KK Annotated Anodyne C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587315697 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587315698 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587315699 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587315700 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587317099 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587317107 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587317109 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc6c5C(=O)[C@H]4[C@@H](c4ccc(O)cc4)O6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587317110 KK Annotated Mild COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587319074 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587319077 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587319079 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587319081 KK Annotated Reactive C[C@]1(c2cc(Br)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319095 KK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319098 KK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319101 KK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319103 KK Annotated Anodyne O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319104 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319111 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319113 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319115 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319125 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319126 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319127 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319130 KK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587319152 KK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587319153 KK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587319155 KK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587319157 KK Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319188 KK Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319189 KK Annotated Reactive CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319191 KK Annotated Reactive CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319192 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587319231 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587319234 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587319235 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587319236 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@H]1c1ccc(F)cc1 ZINC000587319249 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@H]1c1ccc(F)cc1 ZINC000587319251 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@@H]1c1ccc(F)cc1 ZINC000587319253 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@@H]1c1ccc(F)cc1 ZINC000587319255 KK Annotated Reactive C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587319258 KK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587319263 KK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319265 KK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319266 KK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319269 KK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319271 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587319273 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587319276 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587319277 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587319279 KK Annotated Reactive O=C1c2ccc(O)cc2OC(C(Br)Br)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587319465 KK Annotated Reactive O=C1c2ccc(O)cc2OC(C(Br)Br)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587319468 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587319471 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587319475 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(F)cc1 ZINC000587319476 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 ZINC000587319479 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@@H]1c1ccc(F)cc1 ZINC000587319523 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@@H]1c1ccc(F)cc1 ZINC000587319526 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@H]1c1ccc(F)cc1 ZINC000587319529 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@H]1c1ccc(F)cc1 ZINC000587319530 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319540 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319541 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319543 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319545 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587319554 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587319556 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587319558 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587319560 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587319563 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587319568 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587319569 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587319570 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319584 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319589 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319590 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319592 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587319671 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587319672 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587319673 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587319675 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587319676 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587319677 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 ZINC000587319678 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 ZINC000587319679 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587319680 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587319682 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587319683 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587319684 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587319707 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587319710 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587319712 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587319716 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319731 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319736 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319737 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319738 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319739 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319743 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319748 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319749 KK Annotated Anodyne C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587319786 KK Annotated Reactive C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587319788 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587319791 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 ZINC000587319792 KK Annotated Reactive CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587319810 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587319814 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587319815 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 ZINC000587319818 KK Annotated Reactive CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587319820 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 ZINC000587319824 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 ZINC000587319827 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 ZINC000587319829 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(N3CCCC3=O)c2)[C@H]1c1ccc(F)cc1 ZINC000587319846 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(N3CCCC3=O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587319849 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(N3CCCC3=O)c2)[C@H]1c1ccc(F)cc1 ZINC000587319850 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(N3CCCC3=O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587319851 KK Annotated Reactive Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319853 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587319855 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319857 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587319859 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320048 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320051 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320055 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320057 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320093 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320096 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320101 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320102 KK Annotated Reactive Nc1cc(Br)ccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320118 KK Annotated Anodyne Nc1cc(Br)ccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320121 KK Annotated Anodyne Nc1cc(Br)ccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320127 KK Annotated Anodyne Nc1cc(Br)ccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320130 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320174 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320177 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320180 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320185 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@@H]1c1ccc(F)cc1 ZINC000587320215 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@@H]1c1ccc(F)cc1 ZINC000587320221 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@H]1c1ccc(F)cc1 ZINC000587320224 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@H]1c1ccc(F)cc1 ZINC000587320225 KK Annotated Reactive Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587320264 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587320265 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320398 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320402 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320407 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320409 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587320474 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587320477 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587320478 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587320479 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587320485 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587320486 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587320488 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587320490 KK Annotated Reactive CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320491 KK Annotated Anodyne CCC[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320495 KK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320496 KK Annotated Anodyne CCC[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320497 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320499 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320501 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320502 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320504 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320508 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320514 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccn2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320518 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccn2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320521 KK Annotated Anodyne COc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587320530 KK Annotated Reactive CNc1ccc(Br)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587320532 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587320534 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587320535 KK Annotated Anodyne COc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587320536 KK Annotated Reactive COc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587320537 KK Annotated Reactive COc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587320539 KK Annotated Reactive CNc1ccc(Br)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587320541 KK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320550 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320558 KK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320559 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320562 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320585 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587320587 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Br)=COc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587320589 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Br)=COc3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587320590 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587320596 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587320599 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587320601 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587320603 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000587320633 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000587320636 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320638 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320642 KK Annotated Bother CNc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320647 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320649 KK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320650 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320652 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320654 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320655 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320657 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320659 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)ccc1Br ZINC000587320663 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)ccc1Br ZINC000587320665 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)ccc1Br ZINC000587320666 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)ccc1Br ZINC000587320670 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587320701 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587320702 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587320703 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587320704 KK Annotated Reactive O=C(Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 ZINC000587320717 KK Annotated Reactive O=C(Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 ZINC000587320718 KK Annotated Reactive O=C(Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 ZINC000587320719 KK Annotated Reactive O=C(Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 ZINC000587320720 KK Annotated Reactive Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320786 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320792 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587320795 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587320799 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320820 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320822 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320823 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320824 KK Annotated Anodyne O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587320845 KK Annotated Anodyne CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320848 KK Annotated Reactive CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320850 KK Annotated Reactive O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587320852 KK Annotated Anodyne CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320854 KK Annotated Reactive CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320863 KK Annotated Reactive CC(C)(Br)C1(C(C)(C)Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320866 KK Annotated Anodyne CC(C)(Br)C1(C(C)(C)Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320868 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c2ccccc21 ZINC000587320876 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c2ccccc21 ZINC000587320880 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c2ccccc21 ZINC000587320884 KK Annotated Anodyne COc1cc(Br)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587320886 KK Annotated Reactive CC(C)(C)OC(=O)n1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c2ccccc21 ZINC000587320888 KK Annotated Anodyne COc1cc(Br)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587320889 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587320890 KK Annotated Anodyne COc1cc(Br)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587320893 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)[C@H]1c1ccc(F)cc1 ZINC000587320896 KK Annotated Anodyne COc1cc(Br)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587320897 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320898 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)[C@H]1c1ccc(F)cc1 ZINC000587320899 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)N2CCN(c3ncccn3)CC2)(c2c[nH]c3ccc(Br)cc23)[C@@H]1c1ccc(F)cc1 ZINC000587320902 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587320905 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320906 KK Annotated Reactive Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320909 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587320910 KK Annotated Reactive Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320914 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320917 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320920 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320954 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320968 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320969 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320970 KK Annotated Reactive Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320972 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320973 KK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587320975 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587320977 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@@H]1c1ccc(F)cc1 ZINC000587320979 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@H]1c1ccc(F)cc1 ZINC000587320985 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@H]1c1ccc(F)cc1 ZINC000587320989 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@@H]1c1ccc(F)cc1 ZINC000587320992 KK Annotated Reactive Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321004 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321010 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321011 KK Annotated Anodyne Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321014 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000587321015 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000587321019 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000587321022 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 ZINC000587321024 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321026 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321029 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321032 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321034 KK Annotated Reactive CN1C(=O)CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587321047 KK Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587321049 KK Annotated Reactive CN1C(=O)CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587321051 KK Annotated Reactive CN1C(=O)CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587321053 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587321056 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587321059 KK Annotated Reactive C[C@@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321061 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587321062 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587321064 KK Annotated Reactive COc1ccc([C@]2(Cc3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321065 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321066 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321068 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321071 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321072 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000587321073 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321074 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321075 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@@H]1c1ccc(F)cc1 ZINC000587321076 KK Annotated Reactive CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000587321077 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000587321078 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000587321079 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@@H]1c1ccc(F)cc1 ZINC000587321080 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587321081 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@H]1c1ccc(F)cc1 ZINC000587321082 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587321083 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587321084 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587321085 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@H]1c1ccc(F)cc1 ZINC000587321089 KK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321091 KK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321093 KK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321094 KK Annotated Reactive Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321097 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321099 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321100 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321101 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321102 KK Annotated Reactive O=C1c2ccc(O)cc2OC2([C@@H](Br)CCCCC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 ZINC000587321103 KK Annotated Reactive O=C1c2ccc(O)cc2OC2([C@@H](Br)CCCCC[C@@H]2Br)[C@H]1c1ccc(F)cc1 ZINC000587321104 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321109 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321110 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321111 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321112 KK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321121 KK Annotated Reactive COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321123 KK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321125 KK Annotated Reactive COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321126 KK Annotated Reactive CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587321181 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 ZINC000587321182 KK Annotated Clean CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587321198 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587321199 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587321200 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587321203 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587321230 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587321232 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587321236 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587321239 KK Annotated Reactive CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321240 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321247 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321250 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321251 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321252 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321256 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321258 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321260 KK Annotated Reactive Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587321277 KK Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587321279 KK Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587321280 KK Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587321282 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321284 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321287 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321290 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321293 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587321295 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587321298 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587321304 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587321305 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1O2 ZINC000587321311 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1O2 ZINC000587321313 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1O2 ZINC000587321315 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1O2 ZINC000587321317 KK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587321347 KK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321350 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321351 KK Annotated Anodyne CCOC(=O)[C@@]1(c2ccc(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321352 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccc(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321353 KK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)oc12 ZINC000587321355 KK Annotated Anodyne Cc1cc(Br)cc2cc([C@@]3(C(C)C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587321357 KK Annotated Anodyne Cc1cc(Br)cc2cc([C@]3(C(C)C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)oc12 ZINC000587321359 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(Br)ccc3-c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587321360 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(Br)ccc3-c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587321362 KK Annotated Anodyne Nc1c(Br)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587321363 KK Annotated Reactive Nc1c(Br)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587321364 KK Annotated Reactive Nc1c(Br)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587321366 KK Annotated Reactive Nc1c(Br)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587321369 KK Annotated Reactive CN(C)/C=C\[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321371 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321383 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321384 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321386 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@H](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587321387 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321390 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321391 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@H](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587321392 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321393 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@H](C[C@@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587321394 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587321395 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@H](C[C@H](O)c2ccc(-c3ccc(Br)cc3)cc2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587321397 KK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321399 KK Annotated Anodyne Nc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321400 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587321401 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587321402 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587321403 KK Annotated Reactive Nc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321404 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587321405 KK Annotated Reactive C[C@]1(c2cc(Br)ccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321406 KK Annotated Anodyne C[C@]1(c2cc(Br)ccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321407 KK Annotated Anodyne Nc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321408 KK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321409 KK Annotated Anodyne C[C@@]1(c2cc(Br)ccc2OCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321410 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587321412 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587321416 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587321419 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587321421 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2Br)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587321567 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2Br)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587321569 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2Br)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587321570 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2Br)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587321575 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587321577 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587321582 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587321584 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587321586 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587321589 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587321594 KK Annotated Anodyne C[C@]1(c2nc(Br)cnc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321598 KK Annotated Anodyne C[C@@]1(c2nc(Br)cnc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321608 KK Annotated Anodyne C[C@@]1(c2nc(Br)cnc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321612 KK Annotated Anodyne C[C@]1(c2nc(Br)cnc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321613 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Br)C1 ZINC000587321621 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Br)C1 ZINC000587321632 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Br)C1 ZINC000587321635 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Br)C1 ZINC000587321638 KK Annotated Reactive O=C1c2ccc(O)cc2OC(c2ccc(Br)cn2)(c2ccc(Br)cn2)[C@@H]1c1ccc(F)cc1 ZINC000587321675 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(Br)cn2)(c2ccc(Br)cn2)[C@H]1c1ccc(F)cc1 ZINC000587321677 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Br)C1 ZINC000587321732 KK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Br)C1 ZINC000587321733 KK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Br)C1 ZINC000587321734 KK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Br)C1 ZINC000587321736 KK Annotated Reactive Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1Cc1ccc(Br)cc1 ZINC000587321755 KK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1Cc1ccc(Br)cc1 ZINC000587321760 KK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1Cc1ccc(Br)cc1 ZINC000587321762 KK Annotated Anodyne Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1Cc1ccc(Br)cc1 ZINC000587321764 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O5)C(C)(C)[C@@H]1CC3 ZINC000587321778 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O5)C(C)(C)[C@@H]1CC3 ZINC000587321796 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587321800 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587321803 KK Annotated Reactive CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321807 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587321808 KK Annotated Reactive CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321809 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587321811 KK Annotated Reactive CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321812 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321815 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321824 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321829 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321832 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321833 KK Annotated Anodyne C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321835 KK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321836 KK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587321838 KK Annotated Reactive C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587321841 KK Annotated Reactive Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1-2 ZINC000587321845 KK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1-2 ZINC000587321848 KK Annotated Anodyne Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1-2 ZINC000587321850 KK Annotated Anodyne Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1-2 ZINC000587321855 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)[C@@H]1c1ccc(F)cc1 ZINC000587321858 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)[C@H]1c1ccc(F)cc1 ZINC000587321861 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)[C@@H]1c1ccc(F)cc1 ZINC000587321862 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)[C@H]1c1ccc(F)cc1 ZINC000587321865 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587321869 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587321870 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587321872 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587321875 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321881 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587321885 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321886 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321889 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321891 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587321895 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587321898 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587321900 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587321916 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587321920 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587321944 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322011 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322012 KK Annotated Anodyne CC(C)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322035 KK Annotated Anodyne C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587322039 KK Annotated Reactive CC(C)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322040 KK Annotated Anodyne CC(C)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322042 KK Annotated Anodyne C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587322043 KK Annotated Reactive C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587322046 KK Annotated Reactive CC(C)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587322047 KK Annotated Anodyne C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br ZINC000587322048 KK Annotated Reactive Nc1c(CC(=O)O)cccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322051 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322053 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322057 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322062 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322066 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322067 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322074 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322075 KK Annotated Anodyne C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322076 KK Annotated Bother C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322084 KK Annotated Bother C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322087 KK Annotated Bother C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322089 KK Annotated Bother CC1=C(c2ccc(Br)cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587322107 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322111 KK Annotated Reactive CC1=C(c2ccc(Br)cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587322112 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322114 KK Annotated Reactive CC1=C(c2ccc(Br)cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587322116 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587322117 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322119 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322122 KK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322130 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322131 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322134 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322136 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Br)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322139 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3c(Br)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322144 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Br)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587322146 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3c(Br)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587322147 KK Annotated Anodyne O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587322150 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587322151 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587322152 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587322158 KK Annotated Reactive O=C1c2ccc(O)cc2OC(c2ccc(Br)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322160 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322162 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322163 KK Annotated Reactive O=C1c2ccc(O)cc2OC(c2ccc(Br)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322165 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322167 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322169 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322182 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322184 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322185 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322186 KK Annotated Reactive O=C(CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587322187 KK Annotated Anodyne O=C(CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587322190 KK Annotated Anodyne O=C(CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587322192 KK Annotated Anodyne O=C(CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21)Nc1cccc(Br)c1 ZINC000587322194 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587322220 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587322224 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587322226 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587322228 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587322233 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@]3(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587322235 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587322236 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587322238 KK Annotated Reactive Nc1c(C(=O)O)cc(Br)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587322240 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587322241 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587322242 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587322243 KK Annotated Reactive CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@]3(Oc4cc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc5c4C(=O)[C@H]3[C@@H](c3ccc(O)cc3)O5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587322244 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587322246 KK Annotated Reactive C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322247 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587322249 KK Annotated Reactive C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322250 KK Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322253 KK Annotated Anodyne C[C@H](N1C(=O)CCC1=O)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322257 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322258 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322269 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322273 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322277 KK Annotated Reactive C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587322360 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@]12Oc1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c1C(=O)[C@H]2[C@@H](c1ccc(O)cc1)O3 ZINC000587322361 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322377 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322379 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322381 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322383 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322433 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322436 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322438 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322442 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587322447 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587322451 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587322456 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587322459 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322492 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322495 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322500 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322503 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322506 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322511 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322514 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322515 KK Annotated Reactive CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322516 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322518 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322519 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322521 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322522 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322523 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587322524 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322526 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587322527 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322528 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587322529 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587322531 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587322532 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322533 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587322535 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322536 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587322538 KK Annotated Anodyne C[C@H](Br)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322539 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322541 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587322542 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322550 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587322552 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322553 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587322554 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322579 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322581 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322583 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322585 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(CBr)c2)[C@@H]1c1ccc(F)cc1 ZINC000587322741 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(CBr)c2)[C@@H]1c1ccc(F)cc1 ZINC000587322742 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(CBr)c2)[C@H]1c1ccc(F)cc1 ZINC000587322744 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(CBr)c2)[C@H]1c1ccc(F)cc1 ZINC000587322746 KK Annotated Reactive COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587322747 KK Annotated Reactive COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587322748 KK Annotated Reactive COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587322750 KK Annotated Reactive COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587322751 KK Annotated Reactive CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322753 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322754 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322756 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322758 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322767 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322769 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322770 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322771 KK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587322780 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587322782 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587322783 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587322784 KK Annotated Reactive CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322798 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322802 KK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(OC)c(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322804 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc(OC)c(OC)cc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322806 KK Annotated Anodyne CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587322813 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587322820 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587322823 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 ZINC000587322825 KK Annotated Reactive COc1ccc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000587322838 KK Annotated Reactive COc1ccc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000587322839 KK Annotated Reactive COc1ccc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 ZINC000587322843 KK Annotated Reactive COc1ccc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 ZINC000587322845 KK Annotated Reactive CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)cc(Cl)c2O1 ZINC000587322848 KK Annotated Anodyne CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)cc(Cl)c2O1 ZINC000587322852 KK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)cc(Cl)c2O1 ZINC000587322856 KK Annotated Anodyne CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)cc(Cl)c2O1 ZINC000587322859 KK Annotated Anodyne O=C(O)c1cc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587322861 KK Annotated Anodyne O=C(O)c1cc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587322864 KK Annotated Anodyne O=C(O)c1cc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587322871 KK Annotated Anodyne O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322872 KK Annotated Reactive O=C(O)c1cc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587322874 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322882 KK Annotated Anodyne O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322883 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322885 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587322887 KK Annotated Anodyne O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322888 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587322889 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322890 KK Annotated Anodyne O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322893 KK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322894 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322896 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1O2 ZINC000587322899 KK Annotated Anodyne Nc1c([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587322908 KK Annotated Bother Nc1c([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587322910 KK Annotated Bother Nc1c([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587322921 KK Annotated Bother Nc1c([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587322922 KK Annotated Bother O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587322927 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587322929 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587322932 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Br)cccc21 ZINC000587322934 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Br)ccc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587322935 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Br)ccc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587322936 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Br)ccc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587322938 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Br)ccc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587322941 KK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322943 KK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322945 KK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587322946 KK Annotated Anodyne Cc1c(-c2ccncc2)[nH]c(Br)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587322947 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322983 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322984 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587322985 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587322986 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587323005 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587323009 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587323011 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587323014 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323016 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323018 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323019 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323020 KK Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323022 KK Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323023 KK Annotated Anodyne COC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323024 KK Annotated Anodyne COC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323026 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587323150 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587323155 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587323157 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587323158 KK Annotated Anodyne Nc1c(Cl)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587323191 KK Annotated Reactive Nc1c(Cl)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587323197 KK Annotated Reactive Nc1c(Cl)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587323198 KK Annotated Reactive Nc1c(Cl)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587323199 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 ZINC000587323200 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 ZINC000587323202 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 ZINC000587323203 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 ZINC000587323207 KK Annotated Reactive O=C1c2ccc(O)cc2OC(c2ccccc2Br)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323233 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2Br)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323235 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Br)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587323251 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Br)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587323252 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Br)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587323256 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Br)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587323258 KK Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323292 KK Annotated Anodyne CN(C)/C=C/c1nc(O)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323296 KK Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323297 KK Annotated Anodyne CN(C)/C=C\c1nc(O)c(Br)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323299 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323339 KK Annotated Anodyne C[C@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323343 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323344 KK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323346 KK Annotated Anodyne C[C@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323349 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323351 KK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323352 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323355 KK Annotated Anodyne CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)c1ccccc1-2 ZINC000587323371 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O4)c1ccccc1-2 ZINC000587323378 KK Annotated Mild Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587323399 KK Annotated Reactive Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587323403 KK Annotated Reactive Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587323404 KK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587323405 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587323406 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587323407 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587323408 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587323410 KK Annotated Reactive C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323422 KK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323424 KK Annotated Anodyne C[C@H](CC(=O)O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323427 KK Annotated Anodyne C[C@H](CC(=O)O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323431 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323433 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323436 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323438 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323441 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587323463 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587323465 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587323466 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587323467 KK Annotated Reactive Cc1ccncc1[C@]1(c2cncc(Br)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323473 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323474 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323475 KK Annotated Anodyne Cc1ccncc1[C@]1(c2cncc(Br)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323476 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323497 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323498 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323499 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323500 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323505 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323506 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323507 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323508 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587323526 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587323531 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587323532 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587323534 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323548 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323549 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323550 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323551 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323553 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323557 KK Annotated Reactive Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323558 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323559 KK Annotated Anodyne O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323560 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323561 KK Annotated Reactive Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323563 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323564 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323567 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323569 KK Annotated Anodyne CC(C)(C)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587323570 KK Annotated Reactive CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323571 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323572 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323573 KK Annotated Reactive CC(C)(C)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587323574 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323575 KK Annotated Reactive CC(C)(C)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587323576 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323577 KK Annotated Reactive CC(C)(C)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O ZINC000587323578 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323581 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587323585 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587323586 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587323590 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587323592 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323600 KK Annotated Reactive COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587323605 KK Annotated Anodyne O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323606 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323607 KK Annotated Reactive COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587323608 KK Annotated Anodyne O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323609 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)[C@H]1c1ccc(F)cc1 ZINC000587323643 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)[C@H]1c1ccc(F)cc1 ZINC000587323644 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587323645 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587323646 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323727 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587323728 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323729 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccc(F)cc1 ZINC000587323730 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323739 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323740 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587323741 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587323742 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587323743 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587323744 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587323745 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587323746 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@H]1c1ccc(F)cc1 ZINC000587323747 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@H]1c1ccc(F)cc1 ZINC000587323748 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@@H]1c1ccc(F)cc1 ZINC000587323749 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@@H]1c1ccc(F)cc1 ZINC000587323750 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323751 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323752 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323753 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323754 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323755 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323756 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323757 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323758 KK Annotated Reactive Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587323776 KK Annotated Reactive Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587323778 KK Annotated Reactive Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587323781 KK Annotated Reactive Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587323783 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)ccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587323785 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)ccc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587323786 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3c(Br)ccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587323789 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3c(Br)ccc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587323791 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323798 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323799 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323801 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587323802 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587323803 KK Annotated Reactive C[C@]1([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323804 KK Annotated Mild COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323805 KK Annotated Reactive C[C@]1([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323806 KK Annotated Mild COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587323807 KK Annotated Reactive C[C@]1([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323808 KK Annotated Mild COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587323809 KK Annotated Reactive C[C@]1([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323810 KK Annotated Mild CCN1N=C(Br)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587323811 KK Annotated Anodyne CCN1N=C(Br)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587323816 KK Annotated Anodyne CCN1N=C(Br)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587323818 KK Annotated Anodyne CCN1N=C(Br)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3c(cc21)OCO3 ZINC000587323820 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587323823 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587323825 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323827 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587323829 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2ccc(Br)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587323847 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2ccc(Br)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587323848 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2ccc(Br)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587323849 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2ccc(Br)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587323850 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323855 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323856 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323857 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323858 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccccc3-c3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587323891 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccccc3-c3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587323892 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3-c3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587323893 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccccc3-c3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587323894 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323899 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587323900 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323901 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587323902 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587323919 KK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587323920 KK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587323921 KK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587323922 KK Annotated Reactive C[C@@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323927 KK Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323928 KK Annotated Anodyne C[C@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587323929 KK Annotated Anodyne C[C@@]1(c2ccc(N3CCOCC3)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587323930 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323941 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587323942 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587323943 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587323944 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323945 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587323946 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587323948 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587323952 KK Annotated Reactive COc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Br ZINC000587323960 KK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1Br ZINC000587323962 KK Annotated Anodyne COc1ccc2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Br ZINC000587323963 KK Annotated Anodyne COc1ccc2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1Br ZINC000587323965 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(C)c1Br ZINC000587323968 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(C)c1Br ZINC000587323969 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(C)c1Br ZINC000587323970 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(C)c1Br ZINC000587323971 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccc(Br)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587323989 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccc(Br)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587323993 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccc(Br)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587323994 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccc(Br)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587323996 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324002 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324005 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324006 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324007 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324030 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324031 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324032 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324035 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324091 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324092 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324093 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324094 KK Annotated Anodyne Cc1cn(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587324113 KK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587324114 KK Annotated Reactive Cc1cn(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587324115 KK Annotated Reactive Cc1cn(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cn1 ZINC000587324116 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587324125 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OCc3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324126 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OCc3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587324127 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587324128 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324129 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324130 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324131 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324132 KK Annotated Reactive Cn1ncc(Br)c1C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324145 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324146 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324147 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324148 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@H]1c1ccc(F)cc1 ZINC000587324157 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1c1ccc(F)cc1 ZINC000587324158 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1c1ccc(F)cc1 ZINC000587324159 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@H]1c1ccc(F)cc1 ZINC000587324160 KK Annotated Reactive C[C@]1(c2cc(Br)c(O)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324161 KK Annotated Anodyne C[C@@]1(c2cc(Br)c(O)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324162 KK Annotated Anodyne C[C@]1(c2cc(Br)c(O)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324163 KK Annotated Anodyne C[C@@]1(c2cc(Br)c(O)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324164 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324165 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324166 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324167 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324168 KK Annotated Reactive COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587324173 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587324175 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587324177 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587324178 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC ZINC000587324179 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587324181 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587324184 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587324187 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)c(Br)cc21 ZINC000587324247 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)c(Br)cc21 ZINC000587324248 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)c(Br)cc21 ZINC000587324249 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)c(Br)cc21 ZINC000587324250 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324271 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324273 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324274 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324277 KK Annotated Bother C[C@@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324279 KK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324282 KK Annotated Anodyne C[C@@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324284 KK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324287 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324306 KK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324307 KK Annotated Reactive COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324308 KK Annotated Reactive COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587324310 KK Annotated Reactive CCCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324312 KK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324316 KK Annotated Anodyne CCCC[C@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324318 KK Annotated Anodyne CCCC[C@@]1(c2ccc(Cl)c(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324319 KK Annotated Anodyne N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324327 KK Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324330 KK Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324332 KK Annotated Mild N#Cc1cc2c(nc1N)Oc1ccc(Br)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324333 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)[C@H]1c1ccc(F)cc1 ZINC000587324337 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)[C@H]1c1ccc(F)cc1 ZINC000587324339 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587324340 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)[C@@H]1c1ccc(F)cc1 ZINC000587324341 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587324368 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587324369 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 ZINC000587324370 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 ZINC000587324372 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324389 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324390 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324391 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324392 KK Annotated Reactive CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324393 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324394 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324395 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324396 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324413 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324414 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324415 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324416 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324438 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324439 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324440 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324442 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324453 KK Annotated Reactive NC(=O)c1ccccc1OC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324455 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587324456 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324457 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587324458 KK Annotated Reactive NC(=O)c1ccccc1OC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324459 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324462 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324463 KK Annotated Anodyne O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324475 KK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324479 KK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324481 KK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324484 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(Br)c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587324495 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(Br)c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587324500 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(Br)c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587324502 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(Br)c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587324505 KK Annotated Anodyne O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324536 KK Annotated Reactive O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324537 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587324538 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587324539 KK Annotated Reactive CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324540 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324541 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324542 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324543 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587324544 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587324545 KK Annotated Anodyne CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324550 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324551 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324552 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324553 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Br)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324606 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Br)c(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324607 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(Br)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324608 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(Br)c(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324609 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587324618 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587324619 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324628 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324629 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324630 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCOc3c([N+](=O)[O-])cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324631 KK Annotated Bother O=CCOc1ccc([C@@]2(c3cncc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324636 KK Annotated Mild O=CCOc1ccc([C@]2(c3cncc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324637 KK Annotated Mild O=CCOc1ccc([C@@]2(c3cncc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324638 KK Annotated Mild O=CCOc1ccc([C@]2(c3cncc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324639 KK Annotated Mild O=C1c2cc(Br)ccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324644 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324645 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324646 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587324647 KK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587324668 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587324669 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587324670 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587324671 KK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324688 KK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324689 KK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587324690 KK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587324691 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Br)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324708 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3c(Br)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324709 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Br)cc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324710 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3c(Br)cc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324711 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324716 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587324717 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Oc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324718 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Oc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587324719 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324720 KK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324721 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324722 KK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324723 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324738 KK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324739 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324740 KK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324741 KK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324750 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324751 KK Annotated Anodyne Cc1ccccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324752 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324753 KK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324768 KK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324769 KK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324770 KK Annotated Anodyne Cn1c2c(c3cc(Br)ccc31)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324771 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324780 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324781 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324782 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324783 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324784 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324785 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324786 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324787 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324788 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324789 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324790 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324791 KK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324792 KK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324793 KK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324794 KK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324796 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C3=O ZINC000587324815 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C3=O ZINC000587324819 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C3=O ZINC000587324823 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C3=O ZINC000587324824 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324864 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324866 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324868 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324870 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587324889 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587324891 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587324894 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587324896 KK Annotated Anodyne COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587324897 KK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587324899 KK Annotated Reactive COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587324901 KK Annotated Reactive COc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587324903 KK Annotated Reactive Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324913 KK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587324915 KK Annotated Bother Cc1ccc([C@@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324917 KK Annotated Bother Cc1ccc([C@]2(c3ccc(Cl)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587324920 KK Annotated Bother Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587324921 KK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587324924 KK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587324925 KK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1C ZINC000587324928 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587324933 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587324934 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587324935 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587324938 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587324941 KK Annotated Reactive O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324946 KK Annotated Reactive O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324948 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587324950 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587324953 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324958 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587324959 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@@H](c3ccc(-c4ccc(Br)cc4)cc3)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587324962 KK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587324982 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587324983 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587324984 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587324985 KK Annotated Bother C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324986 KK Annotated Anodyne C[C@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324987 KK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587324988 KK Annotated Anodyne C[C@@]1(c2ccccc2-c2ccc(C(=O)O)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587324989 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587325025 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587325028 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000587325031 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000587325032 KK Annotated Anodyne CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325041 KK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325043 KK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325044 KK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325045 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)cc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587325058 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)cc(Br)c32)[C@@H]1c1ccc(F)cc1 ZINC000587325060 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCc3cc(Br)cc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587325062 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(Br)cc(Br)c32)[C@H]1c1ccc(F)cc1 ZINC000587325064 KK Annotated Anodyne C[C@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325075 KK Annotated Mild C[C@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325078 KK Annotated Mild C[C@@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325080 KK Annotated Mild C[C@@]1(/C(Cl)=N/Nc2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325082 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325102 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587325104 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325106 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587325108 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587325110 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587325112 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587325114 KK Annotated Reactive Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587325115 KK Annotated Mild CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587325116 KK Annotated Reactive Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587325117 KK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587325119 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000587325120 KK Annotated Mild COc1c(C)cc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587325135 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587325137 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587325139 KK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587325140 KK Annotated Anodyne C[C@]1(COc2ccc3cc(Br)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325141 KK Annotated Anodyne C[C@@]1(COc2ccc3cc(Br)ccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325142 KK Annotated Anodyne C[C@@]1(COc2ccc3cc(Br)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325143 KK Annotated Anodyne C[C@]1(COc2ccc3cc(Br)ccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325144 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587325161 KK Annotated Reactive O=C(O)c1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325165 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587325166 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587325167 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587325168 KK Annotated Reactive O=C(O)c1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325172 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325174 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325175 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccc(Br)cc3-c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587325176 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccc(Br)cc3-c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325177 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(Br)cc3-c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587325178 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(Br)cc3-c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325179 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325180 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325181 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325182 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325183 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587325196 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587325197 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587325198 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 ZINC000587325199 KK Annotated Reactive CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325204 KK Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325205 KK Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325206 KK Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325207 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325208 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587325209 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325210 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587325211 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325240 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325241 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325242 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325243 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587325257 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587325259 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587325260 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Br)c21 ZINC000587325261 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325282 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325284 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325285 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325286 KK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1cccc(Br)c1 ZINC000587325299 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587325301 KK Annotated Reactive Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1cccc(Br)c1 ZINC000587325302 KK Annotated Anodyne Cc1c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nnn1-c1cccc(Br)c1 ZINC000587325303 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587325304 KK Annotated Reactive Cc1c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nnn1-c1cccc(Br)c1 ZINC000587325305 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587325306 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587325308 KK Annotated Reactive COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325318 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587325321 KK Annotated Mild COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587325322 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587325323 KK Annotated Mild COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325324 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587325325 KK Annotated Mild COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587325326 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(COC(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587325328 KK Annotated Mild Cc1cc(Br)c2c(c1N)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325333 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325336 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325338 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325341 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325342 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325343 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325344 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Br)ccc21 ZINC000587325345 KK Annotated Anodyne O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587325346 KK Annotated Reactive O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587325347 KK Annotated Reactive O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587325348 KK Annotated Reactive O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587325349 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(c3cc(Br)ccc3CC23CCOCC3)[C@H]1c1ccc(F)cc1 ZINC000587325352 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Br)ccc3CC23CCOCC3)[C@H]1c1ccc(F)cc1 ZINC000587325353 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Br)ccc3CC23CCOCC3)[C@@H]1c1ccc(F)cc1 ZINC000587325354 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Br)ccc3CC23CCOCC3)[C@@H]1c1ccc(F)cc1 ZINC000587325355 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325360 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325361 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325362 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325363 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587325368 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587325369 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587325370 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587325371 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587325404 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587325405 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587325406 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587325407 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587325440 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587325441 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587325442 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587325443 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325444 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325445 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325446 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325447 KK Annotated Anodyne C[C@@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325456 KK Annotated Anodyne C[C@@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325457 KK Annotated Anodyne C[C@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325458 KK Annotated Anodyne C[C@]1(CC(=O)Oc2c(Cl)cc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325459 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325468 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587325469 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325470 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587325471 KK Annotated Anodyne O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc1C2 ZINC000587325476 KK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc1C2 ZINC000587325477 KK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc1C2 ZINC000587325478 KK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc1C2 ZINC000587325479 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cc(Br)ccc3-c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325496 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3cc(Br)ccc3-c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325497 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cc(Br)ccc3-c3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587325498 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3cc(Br)ccc3-c3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587325499 KK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325504 KK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325505 KK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325506 KK Annotated Anodyne CCOC(=O)c1[nH]c2c(c1Br)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325507 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccc(Br)cc3-c3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587325508 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)c3ccc(Br)cc3-c3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325509 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(Br)cc3-c3cc(Br)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587325510 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(Br)cc3-c3cc(Br)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587325511 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325532 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325533 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325535 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325536 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)o1 ZINC000587325537 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)o1 ZINC000587325539 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)o1 ZINC000587325540 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)o1 ZINC000587325541 KK Annotated Anodyne CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325552 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325553 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325554 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325555 KK Annotated Reactive C[C@@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325562 KK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325564 KK Annotated Anodyne C[C@@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325565 KK Annotated Anodyne C[C@]1(c2cnc3ccc(Br)cc3c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325567 KK Annotated Anodyne O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325579 KK Annotated Mild O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587325582 KK Annotated Mild O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325587 KK Annotated Mild O=C1C(Br)=C[C@@H]2[C@@H]1[C@H]1C=C[C@@]2(Br)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587325590 KK Annotated Mild CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325615 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325617 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325618 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325619 KK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587325620 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587325622 KK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C=O ZINC000587325623 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587325624 KK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587325626 KK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C=O ZINC000587325628 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587325629 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587325630 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Br)cc21 ZINC000587325631 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587325632 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587325635 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587325637 KK Annotated Reactive CC(C)(C)c1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325640 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325642 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325644 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325646 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587325655 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587325656 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587325657 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587325659 KK Annotated Reactive O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325684 KK Annotated Reactive O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325687 KK Annotated Reactive O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325688 KK Annotated Reactive O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325690 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587325697 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587325701 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587325702 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587325705 KK Annotated Reactive C[C@@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325816 KK Annotated Anodyne C[C@@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325817 KK Annotated Anodyne C[C@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325818 KK Annotated Anodyne C[C@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325819 KK Annotated Anodyne C[C@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325862 KK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325863 KK Annotated Anodyne C[C@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325864 KK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325865 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587325878 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587325879 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587325880 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 ZINC000587325881 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325886 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325887 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325888 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587325889 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325910 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325911 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325912 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325913 KK Annotated Reactive C[C@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325926 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325927 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325928 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(C(=O)O)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325929 KK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325946 KK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325947 KK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587325948 KK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587325949 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325962 KK Annotated Bother O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325963 KK Annotated Bother O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325964 KK Annotated Bother O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325965 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325978 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587325979 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325980 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587325981 KK Annotated Reactive COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587325990 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587325991 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587325992 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587325993 KK Annotated Anodyne Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl ZINC000587326003 KK Annotated Reactive Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl ZINC000587326004 KK Annotated Reactive Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl ZINC000587326005 KK Annotated Reactive Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl ZINC000587326006 KK Annotated Reactive CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326057 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326062 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326065 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326067 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326083 KK Annotated Anodyne O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326086 KK Annotated Reactive O=C1c2ccc(O)cc2OC2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587326087 KK Annotated Anodyne O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326088 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326092 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326094 KK Annotated Reactive COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326096 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326103 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326104 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587326105 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000587326106 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326107 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587326152 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587326155 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587326159 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587326161 KK Annotated Clean Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2oc1=O ZINC000587326163 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2oc1=O ZINC000587326167 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2oc1=O ZINC000587326169 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2oc1=O ZINC000587326171 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326187 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326190 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587326193 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587326195 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587326217 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587326219 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587326221 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587326222 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326224 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326226 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326227 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326229 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326269 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326271 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326272 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326277 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326278 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326279 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326280 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326281 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326282 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326283 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326292 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326293 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326294 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326295 KK Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326304 KK Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326305 KK Annotated Anodyne O=C(O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326306 KK Annotated Anodyne O=C(O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326307 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326308 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326309 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326310 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326311 KK Annotated Anodyne O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587326328 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587326329 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587326330 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587326331 KK Annotated Reactive O=C1c2ccc(O)cc2OC2([C@H]1c1ccc(F)cc1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587326336 KK Annotated Reactive O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)C(CCl)(CCl)CCC2(CCl)CCl ZINC000587326337 KK Annotated Reactive Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3Br)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587326394 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3Br)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587326395 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3Br)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587326396 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3Br)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587326397 KK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326410 KK Annotated Anodyne C[C@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326411 KK Annotated Anodyne C[C@@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326412 KK Annotated Anodyne C[C@]1(c2cnc(Nc3ccccc3C(F)(F)F)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326413 KK Annotated Anodyne CC(=O)N(C1=C(Cl)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1=O)C1CC1 ZINC000587326435 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2C1=O)C1CC1 ZINC000587326437 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1=O)C1CC1 ZINC000587326438 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2C1=O)C1CC1 ZINC000587326440 KK Annotated Mild Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587326442 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587326447 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587326448 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587326449 KK Annotated Anodyne COc1cccc(COC2=COC(CCl)=C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587326480 KK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 ZINC000587326483 KK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587326485 KK Annotated Reactive COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 ZINC000587326487 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587326502 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587326503 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587326504 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587326508 KK Annotated Reactive O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326553 KK Annotated Reactive CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326554 KK Annotated Anodyne O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326555 KK Annotated Reactive CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326556 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587326557 KK Annotated Anodyne O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326559 KK Annotated Reactive CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587326561 KK Annotated Anodyne O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326562 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326575 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326578 KK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326581 KK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326582 KK Annotated Reactive COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326600 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)c1ccccc1 ZINC000587326601 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326602 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)c1ccccc1 ZINC000587326603 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326604 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)c1ccccc1 ZINC000587326605 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326606 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)c1ccccc1 ZINC000587326607 KK Annotated Anodyne CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587326609 KK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587326612 KK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587326613 KK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587326616 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587326626 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587326630 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587326632 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587326635 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587326636 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326638 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326640 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587326642 KK Annotated Anodyne CC(=O)N1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2Cl)CC1 ZINC000587326661 KK Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2Cl)CC1 ZINC000587326662 KK Annotated Anodyne CC(=O)N1CCN(c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2Cl)CC1 ZINC000587326663 KK Annotated Anodyne CC(=O)N1CCN(c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2Cl)CC1 ZINC000587326664 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326674 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326675 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326676 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326677 KK Annotated Reactive Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326686 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326692 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326693 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326694 KK Annotated Clean COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326719 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326721 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326723 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326724 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326785 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326786 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587326788 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326789 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587326790 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326791 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326794 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587326795 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587326797 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587326798 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000587326799 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326800 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000587326801 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587326803 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000587326806 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000587326810 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326815 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@H]1c1ccc(F)cc1 ZINC000587326818 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587326820 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587326821 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@H]1c1ccc(F)cc1 ZINC000587326823 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326824 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587326826 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587326828 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326838 KK Annotated Unstable COCOc1ccccc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326842 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587326843 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326845 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587326847 KK Annotated Unstable COCOc1ccccc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326848 KK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326850 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326852 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326853 KK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326854 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326855 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326858 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587326872 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587326874 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587326876 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587326879 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587326882 KK Annotated Reactive Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587326889 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]5(Cl)[C@@H]3[C@@H]4[C@]2(Cl)C5(Cl)Cl)[C@H]1c1ccc(F)cc1 ZINC000587326893 KK Annotated Reactive Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587326894 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]5(Cl)[C@@H]3[C@@H]4[C@]2(Cl)C5(Cl)Cl)[C@H]1c1ccc(F)cc1 ZINC000587326895 KK Annotated Reactive Cn1cc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587326897 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587326898 KK Annotated Reactive Cn1cc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587326900 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587326903 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587326906 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326910 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587326913 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587326916 KK Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326919 KK Annotated Anodyne NC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326920 KK Annotated Anodyne NC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326922 KK Annotated Anodyne NC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587326925 KK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1Cl ZINC000587326927 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587326928 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587326929 KK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1Cl ZINC000587326930 KK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587326931 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1Cl ZINC000587326932 KK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccccc1Cl ZINC000587326933 KK Annotated Mild O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587326942 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587326944 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587326946 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587326948 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H]([C@@H]3CC[C@@H](c4ccc(Cl)cc4)CC3)C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326950 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587326952 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587326953 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)[C@H](C3CCC(c4ccc(Cl)cc4)CC3)C(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587326955 KK Annotated Anodyne O=C(CC(=O)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000587326962 KK Annotated Anodyne O=C(CC(=O)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000587326963 KK Annotated Anodyne O=C(CC(=O)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000587326964 KK Annotated Anodyne O=C(CC(=O)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000587326965 KK Annotated Anodyne COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326994 KK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326995 KK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587326996 KK Annotated Reactive COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587326997 KK Annotated Reactive COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587326998 KK Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587326999 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327000 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327001 KK Annotated Bother CCCCCCCCc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327014 KK Annotated Reactive CCCCCCCCc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327015 KK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327016 KK Annotated Reactive CCCCCCCCc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327017 KK Annotated Reactive CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@]1(c2cnoc2C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327035 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@]1(c2cnoc2C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327038 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@@]1(c2cnoc2C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327040 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@@]1(c2cnoc2C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327042 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587327055 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587327056 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587327058 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587327060 KK Annotated Reactive CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327063 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327064 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327066 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327068 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2Cl)c1 ZINC000587327076 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2Cl)c1 ZINC000587327080 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2Cl)c1 ZINC000587327081 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2Cl)c1 ZINC000587327082 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587327091 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587327092 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587327094 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587327098 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Cl)ccc(Cl)c21 ZINC000587327128 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Cl)ccc(Cl)c21 ZINC000587327130 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Cl)ccc(Cl)c21 ZINC000587327133 KK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327135 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Cl)ccc(Cl)c21 ZINC000587327136 KK Annotated Anodyne C[C@@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327139 KK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327142 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327143 KK Annotated Anodyne C[C@]1(c2cn(Cc3ccc(Cl)nc3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327144 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327147 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327149 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327152 KK Annotated Anodyne CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327165 KK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327168 KK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327170 KK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327172 KK Annotated Mild N#Cc1ccc(C[C@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327207 KK Annotated Mild N#Cc1ccc(C[C@@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327212 KK Annotated Mild N#Cc1ccc(C[C@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327213 KK Annotated Mild N#Cc1ccc(C[C@@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327218 KK Annotated Mild Cc1ccc(Cl)nc1C1(c2nc(Cl)ccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327230 KK Annotated Anodyne Cc1ccc(Cl)nc1C1(c2nc(Cl)ccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327233 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327244 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327248 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327249 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327251 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327262 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327263 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587327264 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3ccccc3)Oc3c(Cl)cc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587327265 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327282 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327283 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327284 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327285 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327302 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327303 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327304 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000587327305 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1OC ZINC000587327306 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1OC ZINC000587327307 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1OC ZINC000587327308 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1OC ZINC000587327309 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 ZINC000587327314 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 ZINC000587327315 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 ZINC000587327316 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 ZINC000587327317 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000587327318 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000587327319 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000587327320 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000587327321 KK Annotated Reactive COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327376 KK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587327377 KK Annotated Anodyne COc1ccc([C@@]2(c3c(Cl)ncnc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327378 KK Annotated Anodyne COc1ccc([C@]2(c3c(Cl)ncnc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587327379 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327384 KK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327385 KK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327386 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327387 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587327388 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587327389 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587327390 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587327391 KK Annotated Reactive C[C@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327410 KK Annotated Anodyne C[C@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327411 KK Annotated Anodyne C[C@@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327412 KK Annotated Anodyne C[C@@]1(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327413 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327418 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327419 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327420 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327421 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327422 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327423 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327424 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327425 KK Annotated Reactive CC(C)(C)[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327426 KK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327427 KK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327428 KK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327429 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327457 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327459 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327461 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327463 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587327481 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587327484 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587327492 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587327496 KK Annotated Reactive Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327499 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327509 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327514 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327519 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327527 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327528 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327529 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327530 KK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587327565 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587327568 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587327570 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587327572 KK Annotated Reactive COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327654 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327655 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587327656 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587327657 KK Annotated Anodyne O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327670 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327671 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327672 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327673 KK Annotated Reactive Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327699 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327707 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327708 KK Annotated Reactive Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327709 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327710 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327712 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327713 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327715 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587327717 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587327722 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587327724 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587327726 KK Annotated Reactive Nc1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327745 KK Annotated Anodyne Nc1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327747 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587327748 KK Annotated Reactive Nc1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327749 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587327750 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587327751 KK Annotated Reactive Nc1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1Cl ZINC000587327752 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587327753 KK Annotated Reactive C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327754 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587327756 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327758 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587327760 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@@H]1c1ccc(F)cc1 ZINC000587327764 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@H]1c1ccc(F)cc1 ZINC000587327766 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@H]1c1ccc(F)cc1 ZINC000587327768 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@@H]1c1ccc(F)cc1 ZINC000587327770 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587327779 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587327780 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587327782 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587327784 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587327800 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587327803 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587327805 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587327807 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587327819 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587327822 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587327824 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587327825 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(Cl)cc3Cl)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587327845 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327848 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(Cl)cc3Cl)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587327851 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327852 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(Cl)cc3Cl)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587327853 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327855 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(Cl)cc3Cl)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587327857 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327858 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327862 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587327864 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327869 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587327871 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587327882 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587327884 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)[C@H]1c1ccc(F)cc1 ZINC000587327888 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)OCC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587327891 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327897 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327898 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327899 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587327900 KK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327928 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327929 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587327930 KK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587327931 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587327948 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587327949 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587327950 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587327951 KK Annotated Anodyne C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328004 KK Annotated Reactive C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328006 KK Annotated Reactive C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328010 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587328012 KK Annotated Anodyne C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328013 KK Annotated Reactive CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587328016 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587328019 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587328020 KK Annotated Anodyne CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587328022 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587328024 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587328026 KK Annotated Anodyne CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587328028 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587328033 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587328036 KK Annotated Mild Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 ZINC000587328041 KK Annotated Reactive CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587328042 KK Annotated Mild Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 ZINC000587328043 KK Annotated Reactive CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587328044 KK Annotated Mild Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 ZINC000587328045 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 ZINC000587328046 KK Annotated Reactive CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328059 KK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328063 KK Annotated Mild CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328065 KK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328067 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328070 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328073 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328075 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328079 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328082 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328085 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328087 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328088 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587328105 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587328110 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587328112 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587328113 KK Annotated Reactive COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587328116 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587328119 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587328121 KK Annotated Mild O=C(Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587328123 KK Annotated Reactive COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587328124 KK Annotated Mild O=C(Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587328126 KK Annotated Reactive CC[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328127 KK Annotated Anodyne O=C(Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587328128 KK Annotated Reactive CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328131 KK Annotated Anodyne O=C(Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587328132 KK Annotated Reactive CC[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328134 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)/C(=C/Cl)N2 ZINC000587328135 KK Annotated Anodyne CC[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328137 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)/C(=C\Cl)N2 ZINC000587328138 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)/C(=C\Cl)N2 ZINC000587328141 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587328142 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(C[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)/C(=C/Cl)N2 ZINC000587328143 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587328147 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587328148 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587328150 KK Annotated Anodyne O=C1CCc2cc([C@@]3(c4c(F)cccc4F)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587328161 KK Annotated Anodyne O=C1CCc2cc([C@]3(c4c(F)cccc4F)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2N1 ZINC000587328168 KK Annotated Anodyne O=C1CCc2cc([C@]3(c4c(F)cccc4F)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587328172 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328173 KK Annotated Anodyne O=C1CCc2cc([C@@]3(c4c(F)cccc4F)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2N1 ZINC000587328175 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328177 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328178 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328179 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587328186 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587328191 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587328193 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587328198 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Br)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328201 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Br)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328203 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Br)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328205 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Br)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328207 KK Annotated Reactive Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328279 KK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328281 KK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328283 KK Annotated Bother Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328286 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328287 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328288 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328290 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccccc2Cl)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328291 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Cl ZINC000587328300 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Cl ZINC000587328301 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1Cl ZINC000587328302 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1Cl ZINC000587328303 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328314 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328315 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328316 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328317 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328318 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328319 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328320 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328321 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328322 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328323 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328324 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Cl)cc3)cc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328325 KK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587328330 KK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587328331 KK Annotated Anodyne COCOc1cccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587328332 KK Annotated Anodyne COCOc1cccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587328333 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587328334 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587328335 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587328336 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(OCC(=O)O)cc2O1 ZINC000587328337 KK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328342 KK Annotated Anodyne CCOc1ccc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328343 KK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328344 KK Annotated Anodyne CCOc1ccc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328345 KK Annotated Anodyne Nc1c([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587328364 KK Annotated Bother Nc1c([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587328365 KK Annotated Bother Nc1c([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587328366 KK Annotated Bother Nc1c([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587328367 KK Annotated Bother Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587328395 KK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587328396 KK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587328400 KK Annotated Reactive Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587328403 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587328412 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587328415 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587328418 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587328421 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587328423 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587328424 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587328425 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587328426 KK Annotated Anodyne Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587328442 KK Annotated Reactive Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587328448 KK Annotated Reactive Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587328449 KK Annotated Reactive Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587328450 KK Annotated Reactive C[C@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328492 KK Annotated Bother C[C@@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328496 KK Annotated Bother C[C@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328498 KK Annotated Bother C[C@@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328502 KK Annotated Bother Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587328505 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587328509 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587328512 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587328513 KK Annotated Reactive COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328514 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328517 KK Annotated Mild NC(=O)c1nnn(Cc2cc(Cl)c([C@@]3(c4ccc(Cl)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(Cl)c2)c1N ZINC000587328518 KK Annotated Anodyne COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328520 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328521 KK Annotated Mild NC(=O)c1nnn(Cc2cc(Cl)c([C@@]3(c4ccc(Cl)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(Cl)c2)c1N ZINC000587328522 KK Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c([C@]3(c4ccc(Cl)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(Cl)c2)c1N ZINC000587328523 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328524 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587328525 KK Annotated Reactive NC(=O)c1nnn(Cc2cc(Cl)c([C@]3(c4ccc(Cl)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(Cl)c2)c1N ZINC000587328526 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587328527 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587328529 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328532 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328534 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328537 KK Annotated Reactive O=C(Nc1cc(Cl)ccc1Cl)NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587328538 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328539 KK Annotated Reactive O=C(Nc1cc(Cl)ccc1Cl)NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587328543 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587328555 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587328570 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587328572 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587328574 KK Annotated Reactive CCOC(=O)[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328583 KK Annotated Anodyne CCOC(=O)[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328586 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328588 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328591 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328594 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328597 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587328599 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587328603 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587328625 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328628 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328630 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328631 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328633 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587328635 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587328637 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587328640 KK Annotated Reactive Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587328641 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587328642 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2OC(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328645 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2OC(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587328646 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2OC(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328647 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2OC(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587328649 KK Annotated Reactive COc1ccc(Br)c(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587328659 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587328664 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587328665 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2F)c1 ZINC000587328666 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(OC(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587328699 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(OC(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587328700 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(OC(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587328701 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(OC(F)F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587328702 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328714 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328717 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587328719 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587328721 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(C(F)(F)F)cc3N[C@@H]2c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587328723 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(C(F)(F)F)cc3N[C@H]2c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587328725 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(C(F)(F)F)cc3N[C@H]2c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587328727 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc(C(F)(F)F)cc3N[C@@H]2c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587328730 KK Annotated Anodyne C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328746 KK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328747 KK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328748 KK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328749 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328758 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328760 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587328761 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587328762 KK Annotated Reactive Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C ZINC000587328768 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C ZINC000587328771 KK Annotated Bother C[C@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328778 KK Annotated Anodyne C[C@@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587328780 KK Annotated Anodyne C[C@@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328784 KK Annotated Anodyne C[C@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587328787 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587328805 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587328807 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587328809 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587328811 KK Annotated Reactive O=C1c2c(Cl)ccc(Cl)c2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Cl)ccc(Cl)c21 ZINC000587328815 KK Annotated Anodyne O=C1c2c(Cl)ccc(Cl)c2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Cl)ccc(Cl)c21 ZINC000587328817 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587328819 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587328823 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587328826 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587328828 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587328862 KK Annotated Clean COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587328863 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587328864 KK Annotated Clean COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587328865 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587328866 KK Annotated Clean COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587328867 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587328868 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587328869 KK Annotated Clean O=C(O)COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587328972 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587328973 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329023 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329025 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329027 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329029 KK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329040 KK Annotated Anodyne C[C@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329045 KK Annotated Anodyne C[C@@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329046 KK Annotated Anodyne C[C@]1(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329049 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329050 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329055 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329057 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329059 KK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587329064 KK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587329071 KK Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329073 KK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587329074 KK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)O ZINC000587329075 KK Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329078 KK Annotated Anodyne Cc1nn(C)c(O)c1[C@@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329081 KK Annotated Anodyne Cc1nn(C)c(O)c1[C@]1(c2cc(C(F)(F)F)ccc2S(C)(=O)=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329084 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000587329087 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000587329090 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000587329094 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccccc1OC(F)F ZINC000587329095 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587329108 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@@H]1c1ccc(F)cc1 ZINC000587329112 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587329114 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587329117 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587329119 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587329120 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587329126 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@H]1c1ccc(F)cc1 ZINC000587329127 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@H]1c1ccc(F)cc1 ZINC000587329128 KK Annotated Reactive Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587329129 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@@H]1c1ccc(F)cc1 ZINC000587329130 KK Annotated Reactive Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc12 ZINC000587329131 KK Annotated Anodyne Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329163 KK Annotated Reactive Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329166 KK Annotated Reactive Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587329169 KK Annotated Reactive Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587329170 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587329175 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587329180 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587329182 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587329184 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587329204 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587329206 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587329209 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587329213 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587329227 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587329230 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587329231 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587329234 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3cccs3)Nc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329238 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3cccs3)Nc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329240 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3cccs3)Nc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329243 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3cccs3)Nc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329249 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587329251 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587329255 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587329257 KK Annotated Anodyne Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587329260 KK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587329263 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587329271 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587329273 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587329276 KK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329280 KK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329285 KK Annotated Anodyne CC(C)(C)[C@]1(CCc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329287 KK Annotated Anodyne CC(C)(C)[C@@]1(CCc2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329288 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587329290 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587329294 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587329297 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587329299 KK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)ccc1F ZINC000587329338 KK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)ccc1F ZINC000587329341 KK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)ccc1F ZINC000587329342 KK Annotated Anodyne COC(=O)c1cc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)ccc1F ZINC000587329343 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329348 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329349 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587329350 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587329351 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329374 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329375 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587329376 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587329377 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587329378 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587329379 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587329392 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)[C@H]1c1ccc(F)cc1 ZINC000587329393 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587329394 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)[C@H]1c1ccc(F)cc1 ZINC000587329395 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Cl)cc2O1 ZINC000587329412 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Cl)cc2O1 ZINC000587329413 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Cl)cc2O1 ZINC000587329414 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Cl)cc2O1 ZINC000587329415 KK Annotated Anodyne COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329466 KK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329470 KK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329472 KK Annotated Mild CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329473 KK Annotated Anodyne COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329474 KK Annotated Mild CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329475 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329477 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccc(Cl)c(N)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329480 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329490 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329493 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329494 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329498 KK Annotated Bother Cc1cc(O)c([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587329500 KK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587329503 KK Annotated Anodyne Cc1cc(O)c([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587329506 KK Annotated Anodyne Cc1cc(O)c([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587329509 KK Annotated Anodyne Cc1ccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2Cl)cc1[N+](=O)[O-] ZINC000587329522 KK Annotated Bother Cc1ccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2Cl)cc1[N+](=O)[O-] ZINC000587329523 KK Annotated Bother Cc1ccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2Cl)cc1[N+](=O)[O-] ZINC000587329524 KK Annotated Bother Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329525 KK Annotated Anodyne Cc1ccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2Cl)cc1[N+](=O)[O-] ZINC000587329526 KK Annotated Bother Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329527 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329528 KK Annotated Anodyne Cc1ccncc1[C@]1(c2cccc(C(F)(F)F)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329530 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329531 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329534 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cccc(C(F)(F)F)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329535 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1Cl ZINC000587329536 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587329553 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)[C@@H]1c1ccc(F)cc1 ZINC000587329562 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587329563 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)[C@H]1c1ccc(F)cc1 ZINC000587329567 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329602 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329605 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329607 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329609 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329610 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329611 KK Annotated Anodyne O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329613 KK Annotated Reactive CCOC(=O)C[C@]1(c2cc(F)c(F)c(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329614 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329615 KK Annotated Anodyne O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329616 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329618 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329622 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587329667 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587329671 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587329674 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587329684 KK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329686 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[C@H]1c1ccc(F)cc1 ZINC000587329687 KK Annotated Anodyne COc1cc(C[C@@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587329690 KK Annotated Bother O=C1c2ccc(O)cc2OC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587329693 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329698 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329701 KK Annotated Anodyne COc1cc(C[C@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587329702 KK Annotated Bother CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329703 KK Annotated Anodyne COc1cc(C[C@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587329713 KK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc([N+](=O)[O-])c1O ZINC000587329716 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587329721 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587329735 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587329740 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587329742 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329757 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329761 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329763 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329765 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587329805 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587329809 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587329812 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587329814 KK Annotated Reactive CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329857 KK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329861 KK Annotated Anodyne CCOC(=O)C[C@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329865 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2c(F)c(F)c(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329868 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587329881 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587329884 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587329889 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587329893 KK Annotated Anodyne Cc1c(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000587329940 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000587329943 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000587329944 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cccc1[N+](=O)[O-] ZINC000587329945 KK Annotated Bother C[C@@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329950 KK Annotated Anodyne C[C@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329951 KK Annotated Anodyne C[C@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329952 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329953 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC000587329979 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1[C@H](C)c1ccccc1 ZINC000587329981 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1[C@H](C)c1ccccc1 ZINC000587329982 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC000587329983 KK Annotated Reactive Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329988 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329989 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587329990 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587329991 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329996 KK Annotated Reactive CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329997 KK Annotated Reactive CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587329998 KK Annotated Reactive CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587329999 KK Annotated Reactive COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330016 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330017 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330018 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330019 KK Annotated Anodyne O=C(CCl)NCc1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587330024 KK Annotated Reactive O=C(CCl)NCc1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587330025 KK Annotated Reactive O=C(CCl)NCc1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O ZINC000587330026 KK Annotated Reactive O=C(CCl)NCc1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O ZINC000587330027 KK Annotated Reactive C[C@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330052 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330054 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330056 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330061 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330076 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330077 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330078 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330079 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330096 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330097 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330098 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O)cc1 ZINC000587330099 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587330104 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587330105 KK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587330106 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000587330107 KK Annotated Mild CC(C)(Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587330108 KK Annotated Anodyne CC(C)(Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587330109 KK Annotated Anodyne CC(C)(Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587330110 KK Annotated Anodyne CC(C)(Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O ZINC000587330111 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330152 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330158 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330160 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330162 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587330163 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587330167 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587330168 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587330169 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587330177 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587330180 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587330182 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587330184 KK Annotated Reactive C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330205 KK Annotated Mild CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330207 KK Annotated Bother C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330208 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330209 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330210 KK Annotated Mild COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330211 KK Annotated Anodyne CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330212 KK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330213 KK Annotated Bother CNc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330214 KK Annotated Bother COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330216 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330218 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330220 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330230 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330233 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330235 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330237 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587330238 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587330245 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587330248 KK Annotated Mild C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330249 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587330250 KK Annotated Mild C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330251 KK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330253 KK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330256 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587330269 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330271 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587330275 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@H](c3ccc(OCc4ccc(C(F)(F)F)cc4)cc3)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587330283 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587330285 KK Annotated Reactive C[C@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330287 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587330288 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2F)[C@H]1c1ccc(F)cc1 ZINC000587330291 KK Annotated Reactive C[C@@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330293 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2F)[C@H]1c1ccc(F)cc1 ZINC000587330296 KK Annotated Reactive C[C@@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330297 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330302 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330337 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587330342 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330347 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587330351 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330353 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330356 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330359 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330363 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330418 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330427 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587330428 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2cccc(F)c2)(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587330429 KK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330446 KK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330450 KK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330452 KK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330453 KK Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330457 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330460 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330463 KK Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330464 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587330476 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587330480 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587330481 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587330482 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330483 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330486 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330489 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330491 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330497 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330501 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330503 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330505 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587330536 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587330538 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330550 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330551 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330552 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330553 KK Annotated Anodyne C[C@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330656 KK Annotated Bother C[C@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330661 KK Annotated Bother C[C@@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330665 KK Annotated Bother Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330667 KK Annotated Anodyne C[C@@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330668 KK Annotated Bother Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330669 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330670 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330672 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330673 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587330674 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587330677 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587330679 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1ccc(F)cc1 ZINC000587330680 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330681 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587330682 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330683 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330684 KK Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330685 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330686 KK Annotated Reactive COc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587330687 KK Annotated Anodyne C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330688 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330689 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1ccc(F)cc1 ZINC000587330690 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587330691 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)[C@H]1c1ccc(F)cc1 ZINC000587330692 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587330693 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1c1ccc(F)cc1 ZINC000587330694 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587330695 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587330696 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Sc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330697 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000587330698 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Sc3ccc(C(F)(F)F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587330700 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3Sc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330702 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000587330703 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3Sc3ccc(C(F)(F)F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587330704 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587330705 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2F)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587330713 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2F)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587330723 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2F)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587330727 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2F)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587330730 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587330732 KK Annotated Anodyne O=Cc1cc([C@]2(CN3CCC(C(F)(F)F)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587330735 KK Annotated Anodyne O=Cc1cc([C@@]2(CN3CCC(C(F)(F)F)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587330736 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587330737 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587330738 KK Annotated Anodyne O=Cc1cc([C@@]2(CN3CCC(C(F)(F)F)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587330739 KK Annotated Anodyne O=Cc1cc([C@]2(CN3CCC(C(F)(F)F)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587330740 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587330741 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587330795 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587330797 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587330799 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587330802 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587330814 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330815 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(F)cc2)(c2ccc(Cl)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587330816 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330817 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587330819 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587330821 KK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330823 KK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330824 KK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330827 KK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330829 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330845 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330846 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330847 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330849 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330851 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330852 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330854 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330856 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(F)c2)c(C)c1 ZINC000587330867 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(F)c2)c(C)c1 ZINC000587330873 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(F)c2)c(C)c1 ZINC000587330876 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(F)c2)c(C)c1 ZINC000587330879 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330893 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330898 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330900 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330903 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330920 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330924 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330926 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330928 KK Annotated Anodyne CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330950 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330952 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587330953 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587330954 KK Annotated Mild Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331009 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587331011 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331014 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587331015 KK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331071 KK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331078 KK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331079 KK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331081 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331083 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331086 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587331089 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCc2ccccc2)(Cc2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587331090 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCC(=O)N(C)C)c1 ZINC000587331110 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCC(=O)N(C)C)c1 ZINC000587331113 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OCC(=O)N(C)C)c1 ZINC000587331114 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OCC(=O)N(C)C)c1 ZINC000587331115 KK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331142 KK Annotated Anodyne Cc1c(F)cccc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331149 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331152 KK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331153 KK Annotated Anodyne Cc1c(F)cccc1[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331159 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587331167 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331170 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331172 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587331174 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331175 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587331177 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587331181 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331187 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccc(F)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587331193 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331196 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccc(F)cc32)[C@H]1c1ccc(F)cc1 ZINC000587331200 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Cl)cc(Cl)c3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587331218 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc(Cl)cc(Cl)c3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587331254 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Cl)cc(Cl)c3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587331259 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc(Cl)cc(Cl)c3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587331263 KK Annotated Anodyne CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331289 KK Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331302 KK Annotated Mild CCOC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331306 KK Annotated Mild CCOC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331310 KK Annotated Mild COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587331315 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587331321 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587331323 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587331326 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587331397 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587331401 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587331405 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587331408 KK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587331448 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587331450 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587331451 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F ZINC000587331452 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587331497 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587331503 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587331504 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587331506 KK Annotated Bother Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000587331508 KK Annotated Reactive Nc1c([C@@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587331511 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000587331512 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000587331513 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 ZINC000587331514 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587331515 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587331516 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331517 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2cccc(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331518 KK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587331519 KK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587331521 KK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCCO4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587331524 KK Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587331527 KK Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587331529 KK Annotated Anodyne COC(=O)C(C[C@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587331531 KK Annotated Anodyne COC(=O)C(C[C@@]1(c2ccc(S(C)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)(C(=O)OC)C(=O)c1cc(F)cc(F)c1 ZINC000587331533 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587331624 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587331630 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587331712 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587331715 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331717 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331718 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587331725 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587331730 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587331734 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587331736 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(F)cc3)=C(C(F)(F)F)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587331752 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(F)cc3)=C(C(F)(F)F)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587331754 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(F)cc3)=C(C(F)(F)F)Oc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587331760 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(F)cc3)=C(C(F)(F)F)Oc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587331763 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(Cc2cc(F)c(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331794 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(Cc2cc(F)c(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587331799 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(Cc2cc(F)c(F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587331805 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)(Cc2cc(F)c(F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587331808 KK Annotated Mild CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331815 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331822 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331824 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587331826 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331842 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)c(C)c2O1 ZINC000587331848 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)c(C)c2O1 ZINC000587331852 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)c(C)c2O1 ZINC000587331854 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331855 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)c(C)c2O1 ZINC000587331860 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331862 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331868 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331870 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331871 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331873 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331878 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331881 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331885 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331890 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587331894 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587331931 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587331935 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587331937 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587331940 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000587331949 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000587331953 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)[C@H]1c1ccc(F)cc1 ZINC000587331955 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(Cl)cc2)(c2ccc3nc(O)[nH]c3c2)[C@@H]1c1ccc(F)cc1 ZINC000587331956 KK Annotated Anodyne O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331959 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331965 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331968 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331970 KK Annotated Reactive Nc1ccc(Br)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331984 KK Annotated Anodyne O=C1c2c(Cl)cccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587331990 KK Annotated Anodyne O=C1c2c(Cl)cccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587331993 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587331994 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331996 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587331999 KK Annotated Anodyne C[C@@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332017 KK Annotated Mild C[C@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332019 KK Annotated Mild C[C@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332022 KK Annotated Mild C[C@@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332025 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(SC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332028 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(SC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332032 KK Annotated Reactive COc1ccc2nc(C)c(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587332033 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(SC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332034 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(SC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332036 KK Annotated Reactive COc1ccc2nc(C)c(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587332039 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587332041 KK Annotated Anodyne COc1ccc2nc(C)c(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587332043 KK Annotated Anodyne COc1ccc2nc(C)c(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(Cl)c2c1 ZINC000587332045 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332050 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332096 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332097 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332098 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332099 KK Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332116 KK Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332117 KK Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332118 KK Annotated Anodyne COC(=O)C(CC(=O)c1ccc(S(C)(=O)=O)cc1)(C(=O)OC)[C@]1(c2cc(F)cc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332119 KK Annotated Anodyne COCCOCOc1cc2c(cc1F)C1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587332126 KK Annotated Anodyne COCCOCOc1cc2c(cc1F)C1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587332127 KK Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332150 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332152 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332153 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332155 KK Annotated Reactive Nc1ccc(Oc2ccc(C(=O)c3ccc([C@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3)cc2)cc1 ZINC000587332207 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3)cc2)cc1 ZINC000587332213 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3)cc2)cc1 ZINC000587332215 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3)cc2)cc1 ZINC000587332216 KK Annotated Clean CN(C)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587332251 KK Annotated Bother CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587332253 KK Annotated Bother CN(C)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587332256 KK Annotated Bother CN(C)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587332257 KK Annotated Bother COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587332343 KK Annotated Reactive COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587332346 KK Annotated Reactive COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587332350 KK Annotated Reactive COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(F)F ZINC000587332354 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587332370 KK Annotated Reactive COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332378 KK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587332382 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587332387 KK Annotated Reactive COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332389 KK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587332392 KK Annotated Reactive COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332395 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332399 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587332488 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587332491 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587332494 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587332497 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587332499 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332513 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332517 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587332518 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332521 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3CCC[C@H](C2)N3C(=O)OCc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332522 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332523 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332525 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332540 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587332543 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000587332546 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587332548 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332555 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587332556 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332557 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332560 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587332561 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332563 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587332566 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332570 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587332571 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000587332577 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(Cl)c1 ZINC000587332580 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332582 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C[C@H](C1)N2Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587332604 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C[C@H](C1)N2Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587332611 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@H](C1)N2Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587332617 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@H](C1)N2Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587332622 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332632 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332635 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332639 KK Annotated Reactive CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332641 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)c(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332647 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332650 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332652 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332653 KK Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587332670 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587332675 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1F ZINC000587332682 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1F ZINC000587332684 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587332689 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587332694 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587332699 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587332702 KK Annotated Reactive O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332737 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332743 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332753 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332754 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332755 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332757 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587332758 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587332759 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587332830 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587332833 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587332835 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587332837 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332860 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(F)c1 ZINC000587332862 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cccc(F)c1 ZINC000587332864 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332865 KK Annotated Anodyne C[C@]1(CCc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332875 KK Annotated Anodyne C[C@]1(CCc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332877 KK Annotated Anodyne C[C@@]1(CCc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332880 KK Annotated Anodyne C[C@@]1(CCc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332884 KK Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332886 KK Annotated Anodyne COc1cc2c(cc1I)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332890 KK Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332891 KK Annotated Reactive COc1cc2c(cc1I)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332894 KK Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332896 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332898 KK Annotated Reactive COc1cc2c(cc1I)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332899 KK Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332900 KK Annotated Reactive C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332904 KK Annotated Mild C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332913 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587332916 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587332919 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587332924 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587332928 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587332931 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587332934 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587332936 KK Annotated Mild Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332939 KK Annotated Clean CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587332943 KK Annotated Mild Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332944 KK Annotated Clean CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587332945 KK Annotated Mild Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587332946 KK Annotated Clean Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587332948 KK Annotated Clean CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587332949 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332952 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332959 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587332964 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587332967 KK Annotated Anodyne C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332979 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332984 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332985 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332986 KK Annotated Reactive C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332987 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332989 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332990 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587332991 KK Annotated Reactive C#CCOC1=C[C@@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587332993 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332994 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587332996 KK Annotated Reactive C#CCOC1=C[C@]2(C=C3Oc4cc(N(C)C)ccc4N=C13)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587332999 KK Annotated Mild NCCC[C@H](C(=O)O)[C@]1(c2ccccc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333056 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587333065 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587333067 KK Annotated Reactive NCCC[C@H](C(=O)O)[C@]1(c2ccccc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333068 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587333069 KK Annotated Reactive NCCC[C@H](C(=O)O)[C@@]1(c2ccccc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333071 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587333072 KK Annotated Reactive NCCC[C@H](C(=O)O)[C@@]1(c2ccccc2-c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333074 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333098 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333100 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333102 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333105 KK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587333108 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587333118 KK Annotated Mild COc1cc(C(=O)Oc2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587333119 KK Annotated Bother CCCCOc1ccc(C=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587333120 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587333121 KK Annotated Mild Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333122 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333125 KK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587333127 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587333129 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000587333131 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(NC4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587333165 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(NC4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587333166 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(NC4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587333168 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(NC4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587333173 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333239 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333241 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333243 KK Annotated Anodyne CCOC(=O)[C@@]12CC[C@@H](CN(Cc3ccccc3)C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333245 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333260 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333262 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333263 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333265 KK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333288 KK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333290 KK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333291 KK Annotated Anodyne CCOC(=O)[C@H](Cc1c(F)cccc1Cl)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333293 KK Annotated Anodyne C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333322 KK Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333324 KK Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333326 KK Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333328 KK Annotated Bother CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333356 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333358 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333359 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333360 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333361 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333362 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000587333376 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000587333388 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000587333391 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587333394 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(Cl)ccc1O2 ZINC000587333395 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587333396 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587333397 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 ZINC000587333399 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587333401 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587333405 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587333407 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587333410 KK Annotated Reactive COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587333417 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587333421 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587333423 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587333424 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587333426 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587333427 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587333429 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CNc2cccc(C(F)(F)F)c2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587333433 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333445 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333449 KK Annotated Mild O=C1c2ccc(O)cc2OC(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333451 KK Annotated Mild CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587333456 KK Annotated Reactive COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333457 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333460 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333462 KK Annotated Anodyne CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587333474 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587333476 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 ZINC000587333478 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587333480 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587333484 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Br)[C@H]1c1ccc(F)cc1 ZINC000587333489 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Br)[C@H]1c1ccc(F)cc1 ZINC000587333492 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333494 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccc(Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587333502 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333504 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccc(Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587333511 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333527 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333543 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333547 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587333550 KK Annotated Anodyne C[C@]1(c2cnc3[nH]cc(I)c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333564 KK Annotated Anodyne C[C@]1(c2cnc3[nH]cc(I)c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333566 KK Annotated Anodyne C[C@@]1(c2cnc3[nH]cc(I)c3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333569 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333571 KK Annotated Anodyne C[C@@]1(c2cnc3[nH]cc(I)c3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333572 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333576 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333580 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587333582 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333584 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333587 KK Annotated Mild Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587333589 KK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1Cl ZINC000587333590 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333592 KK Annotated Mild CCOC(=O)c1cnc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1Cl ZINC000587333594 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587333595 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333596 KK Annotated Mild CCOC(=O)c1cnc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1Cl ZINC000587333598 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587333599 KK Annotated Anodyne CCOC(=O)c1cnc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1Cl ZINC000587333601 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333603 KK Annotated Mild Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587333607 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000587333614 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587333615 KK Annotated Reactive CC(C)(C)OC(=O)N(CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000587333616 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000587333618 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587333619 KK Annotated Reactive CC(C)(C)OC(=O)N(CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000587333621 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587333623 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000587333624 KK Annotated Reactive CC(C)(C)OC(=O)N(CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000587333625 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333627 KK Annotated Mild Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 ZINC000587333628 KK Annotated Reactive CC(C)(C)OC(=O)N(CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000587333630 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587333632 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333636 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333640 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587333645 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587333648 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587333651 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587333655 KK Annotated Reactive C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333657 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333664 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333669 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333678 KK Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333683 KK Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333689 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333691 KK Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587333693 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587333697 KK Annotated Anodyne COC1=COC(Cn2c(=O)oc3ccc(Cl)cc32)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587333698 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333699 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333701 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@@]43Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc21 ZINC000587333702 KK Annotated Clean CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587333703 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333706 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587333709 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587333711 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@]43Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cccc21 ZINC000587333714 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@]43Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc21 ZINC000587333718 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@@]43Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cccc21 ZINC000587333723 KK Annotated Clean CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333768 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333770 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333771 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333772 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1O2 ZINC000587333781 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1O2 ZINC000587333782 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1O2 ZINC000587333783 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1O2 ZINC000587333784 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587333789 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587333797 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587333801 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587333803 KK Annotated Anodyne C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333837 KK Annotated Reactive C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333840 KK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333841 KK Annotated Reactive C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333844 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@@H]2c2ccc(NC3CCCC3)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333873 KK Annotated Anodyne C[C@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333880 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@H]2c2ccc(NC3CCCC3)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587333881 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333883 KK Annotated Anodyne C[C@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587333885 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@H]2c2ccc(NC3CCCC3)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587333886 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3c(F)cccc3Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587333888 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@@H]2c2ccc(NC3CCCC3)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587333890 KK Annotated Anodyne O=C(NC1(C(=O)O)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587333893 KK Annotated Anodyne O=C(NC1(C(=O)O)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587333898 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333914 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333917 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333918 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333922 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333924 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333925 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333927 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587333928 KK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587333932 KK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587333935 KK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587333938 KK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587333941 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587333965 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587333967 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587333969 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587333971 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587333985 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587333986 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587333988 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587333990 KK Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334017 KK Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334020 KK Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587334021 KK Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587334022 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c(F)c1 ZINC000587334029 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c(F)c1 ZINC000587334031 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c(F)c1 ZINC000587334033 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c(F)c1 ZINC000587334035 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334041 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334045 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334047 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334050 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587334053 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@H]1c1ccc(F)cc1 ZINC000587334054 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334056 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587334058 KK Annotated Anodyne CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587334096 KK Annotated Mild COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587334099 KK Annotated Anodyne COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587334100 KK Annotated Anodyne CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587334101 KK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 ZINC000587334102 KK Annotated Mild COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587334103 KK Annotated Anodyne CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 ZINC000587334104 KK Annotated Mild COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(I)=CO2 ZINC000587334105 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334107 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334109 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334111 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334114 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587334116 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587334118 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587334119 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(C(F)(F)F)ccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587334120 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587334137 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@H](C(=O)[C@H]3O[C@H]32)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587334149 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587334153 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@@H](C(=O)[C@H]3O[C@H]32)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587334157 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)[C@H](C(F)(F)F)C2)[C@H]1c1ccc(F)cc1 ZINC000587334204 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)[C@@H](C(F)(F)F)C2)[C@H]1c1ccc(F)cc1 ZINC000587334206 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)[C@@H](C(F)(F)F)C2)[C@@H]1c1ccc(F)cc1 ZINC000587334209 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCc3ccccc3)[C@H](C(F)(F)F)C2)[C@@H]1c1ccc(F)cc1 ZINC000587334211 KK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334212 KK Annotated Anodyne CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)C1CC1 ZINC000587334214 KK Annotated Mild Nc1nc(Nc2cccc(F)c2)sc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334215 KK Annotated Anodyne CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)C1CC1 ZINC000587334216 KK Annotated Mild Nc1nc(Nc2cccc(F)c2)sc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334217 KK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334218 KK Annotated Anodyne CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)C1CC1 ZINC000587334219 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)C1CC1 ZINC000587334223 KK Annotated Mild O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334246 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334248 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334254 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334258 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334262 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334266 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334272 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334275 KK Annotated Clean Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334278 KK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334279 KK Annotated Anodyne Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334281 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@@]3(Oc5cc(O)ccc5C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C4=O)cccc21 ZINC000587334284 KK Annotated Clean Cc1nc2c(Cl)cccc2c(Cl)c1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334285 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@@]3(Oc5cc(O)ccc5C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C4=O)cccc21 ZINC000587334296 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@]3(Oc5cc(O)ccc5C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C4=O)cccc21 ZINC000587334299 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@]3(Oc5cc(O)ccc5C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C4=O)cccc21 ZINC000587334303 KK Annotated Clean COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587334307 KK Annotated Anodyne COC(=O)c1cc([C@@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587334314 KK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c[nH]1 ZINC000587334317 KK Annotated Anodyne COC(=O)c1cc([C@]2(Cc3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c[nH]1 ZINC000587334319 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587334346 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587334358 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587334362 KK Annotated Anodyne COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334363 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587334370 KK Annotated Anodyne COc1ccc([C@@]2(c3cc4cc(Cl)ccc4o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334371 KK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334375 KK Annotated Anodyne COc1ccc([C@]2(c3cc4cc(Cl)ccc4o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334379 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587334406 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334411 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334414 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587334415 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334418 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587334421 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCSc2ccc(F)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334425 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587334426 KK Annotated Anodyne O=C1c2cccc(Cl)c2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(Cl)cccc21 ZINC000587334427 KK Annotated Anodyne O=C1c2cccc(Cl)c2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(Cl)cccc21 ZINC000587334429 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334445 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334454 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334457 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(Cc2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334462 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334465 KK Annotated Anodyne C[C@]1(c2c[nH]c3cccc(I)c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334467 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334468 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334472 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334474 KK Annotated Anodyne C[C@]1(c2c[nH]c3cccc(I)c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334481 KK Annotated Anodyne C[C@@]1(c2c[nH]c3cccc(I)c23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334485 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334492 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334493 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334495 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334499 KK Annotated Anodyne C[C@@]1(c2c[nH]c3cccc(I)c23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334500 KK Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587334506 KK Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587334511 KK Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@]34Oc3cc(O)ccc3C(=O)[C@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587334516 KK Annotated Anodyne CCc1ccc(N2C[C@]3(OC[C@H]4OC(C)(C)O[C@H]4[C@@]34Oc3cc(O)ccc3C(=O)[C@@H]4c3ccc(F)cc3)OC2=O)cc1 ZINC000587334529 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587334560 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587334566 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587334570 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587334574 KK Annotated Anodyne CC1(C)COC(CCC[C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)OC1 ZINC000587334579 KK Annotated Anodyne CC1(C)COC(CCC[C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)OC1 ZINC000587334586 KK Annotated Anodyne CC1(C)COC(CCC[C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)OC1 ZINC000587334590 KK Annotated Anodyne CC1(C)COC(CCC[C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)OC1 ZINC000587334594 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587334608 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334609 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587334613 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334614 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587334615 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334616 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587334617 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334619 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334624 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334629 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334642 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334645 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334647 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334648 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@H](C)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334649 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334650 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334652 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334655 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2 ZINC000587334716 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2 ZINC000587334724 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2 ZINC000587334726 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2 ZINC000587334727 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334728 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334729 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)c(F)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334730 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)c(F)c(OC)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334731 KK Annotated Anodyne CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334758 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334759 KK Annotated Reactive CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334760 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334761 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccccc3COc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334774 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3COc3cc(C(F)(F)F)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587334775 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3COc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587334776 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3COc3cc(C(F)(F)F)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587334777 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587334786 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 ZINC000587334787 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587334788 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 ZINC000587334789 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587334798 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587334799 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587334800 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587334801 KK Annotated Mild C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334818 KK Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C\N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334819 KK Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334820 KK Annotated Anodyne C[C@H](n1cc(C(F)(F)F)ccc1=O)[C@]1(/C=C/N(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334821 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334822 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334823 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587334824 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587334825 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334826 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587334827 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334828 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587334829 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334881 KK Annotated Reactive CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587334882 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587334883 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334885 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587334887 KK Annotated Reactive CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334888 KK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C ZINC000587334890 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587334892 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587334894 KK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)N(C)C ZINC000587334898 KK Annotated Anodyne C/C(=C\[C@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C ZINC000587334900 KK Annotated Anodyne C/C(=C\[C@@]1(c2ccc(Oc3ncccn3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)N(C)C ZINC000587334903 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334929 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334933 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334936 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587334939 KK Annotated Bother COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334953 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334959 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587334962 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587334966 KK Annotated Mild COCOc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335029 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335033 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335036 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335053 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335059 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335068 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587335115 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335123 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587335125 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587335129 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587335130 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCCO3)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587335135 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587335137 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)[C@@H]1c1ccc(F)cc1 ZINC000587335141 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 ZINC000587335143 KK Annotated Mild CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335147 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587335149 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335152 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335156 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCC23CN(C(c2ccccc2)c2ccccc2)C3)[C@H]1c1ccc(F)cc1 ZINC000587335158 KK Annotated Anodyne COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335205 KK Annotated Reactive O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335209 KK Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335211 KK Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335215 KK Annotated Reactive COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335218 KK Annotated Reactive CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335221 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335232 KK Annotated Anodyne O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335235 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335239 KK Annotated Anodyne O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335240 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335242 KK Annotated Anodyne O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335245 KK Annotated Reactive CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335247 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335248 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@]2(c3ccc(N(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335251 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@@]2(c3ccc(N(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335254 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335257 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335258 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@@]2(c3ccc(N(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335261 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@]2(c3ccc(N(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335267 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587335300 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587335307 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(Br)c2F)[C@H]1c1ccc(F)cc1 ZINC000587335311 KK Annotated Reactive COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587335315 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(Br)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587335319 KK Annotated Reactive COc1ccc(C(=O)[C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587335321 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(Br)c2F)[C@H]1c1ccc(F)cc1 ZINC000587335324 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335328 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(Br)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587335332 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335334 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335337 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335338 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335341 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(N)c12 ZINC000587335349 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335350 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(N)c12 ZINC000587335351 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335352 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(N)c12 ZINC000587335353 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(N)c12 ZINC000587335354 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335355 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335357 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335359 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335361 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(F)cccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335364 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335395 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335399 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335403 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335406 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335410 KK Annotated Anodyne O=C(O)[C@@H]1CCCC[C@@H]1C[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335413 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@H]2CCCC[C@H]2C(=O)O)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335417 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587335418 KK Annotated Reactive O=C(O)[C@@H]1CCCC[C@@H]1C[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335420 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587335424 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587335430 KK Annotated Reactive Nc1c([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587335431 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587335433 KK Annotated Reactive Nc1c([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587335435 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587335437 KK Annotated Anodyne Nc1c([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587335439 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587335440 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587335441 KK Annotated Anodyne Nc1c([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2ccccc12 ZINC000587335443 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)[C@H]1c1ccc(F)cc1 ZINC000587335444 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335455 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335457 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335459 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335463 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)OCC ZINC000587335464 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)OCC ZINC000587335466 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)OCC ZINC000587335467 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)OCC ZINC000587335470 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(I)ccc2O1 ZINC000587335504 KK Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(I)ccc2O1 ZINC000587335505 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(I)ccc2O1 ZINC000587335506 KK Annotated Anodyne CCOC(=O)C1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(I)ccc2O1 ZINC000587335507 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335508 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335509 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335510 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335511 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(I)ccc3-c3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587335531 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(I)ccc3-c3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587335536 KK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587335548 KK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587335549 KK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587335551 KK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587335554 KK Annotated Anodyne N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(Cc2ccccc2)c1=O ZINC000587335556 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(Cc2ccccc2)c1=O ZINC000587335561 KK Annotated Mild N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(Cc2ccccc2)c1=O ZINC000587335563 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(Cc2ccccc2)c1=O ZINC000587335566 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335594 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335603 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587335606 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587335608 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587335702 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587335705 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587335708 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000587335709 KK Annotated Mild O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335740 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335745 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335746 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335749 KK Annotated Reactive CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335843 KK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335845 KK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335850 KK Annotated Anodyne COCOc1ccccc1[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335853 KK Annotated Anodyne COCOc1ccccc1[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335856 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587335872 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587335874 KK Annotated Reactive CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335875 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587335878 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587335881 KK Annotated Reactive CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587335886 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587335887 KK Annotated Anodyne Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335895 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587335906 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335910 KK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587335914 KK Annotated Bother COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335984 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000587335986 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335989 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000587335995 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587336011 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Br)ccc(Cl)c2F)[C@H]1c1ccc(F)cc1 ZINC000587336012 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Br)ccc(Cl)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587336014 KK Annotated Reactive COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587336015 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Br)ccc(Cl)c2F)[C@H]1c1ccc(F)cc1 ZINC000587336016 KK Annotated Reactive COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587336018 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Br)ccc(Cl)c2F)[C@@H]1c1ccc(F)cc1 ZINC000587336019 KK Annotated Reactive COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587336021 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587336024 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587336033 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(c3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587336038 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(c3ccc(Cl)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587336042 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587336092 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587336093 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587336094 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587336095 KK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336124 KK Annotated Anodyne C[C@]1(CC(=O)Nc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336126 KK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336127 KK Annotated Anodyne C[C@@]1(CC(=O)Nc2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336129 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587336256 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587336260 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587336263 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3cccc4ccccc34)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587336266 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336267 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336272 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336275 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336281 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336343 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336347 KK Annotated Anodyne CC1(C)CC(=O)C(C[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587336350 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336351 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336354 KK Annotated Anodyne CC1(C)CC(=O)C(C[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587336357 KK Annotated Anodyne CC1(C)CC(=O)C(C[C@@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587336363 KK Annotated Anodyne CC1(C)CC(=O)C(C[C@]2(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587336383 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336420 KK Annotated Clean O=C1c2ccc(O)cc2O[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336429 KK Annotated Clean CC(C)(C)OC(=O)NC1(c2ccc([C@]3(Cc4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CCC1 ZINC000587336431 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336435 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@](c2cc(O)c(O)c([N+](=O)[O-])c2)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336439 KK Annotated Clean CC(C)(C)OC(=O)NC1(c2ccc([C@@]3(Cc4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CCC1 ZINC000587336442 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@]3(Cc4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CCC1 ZINC000587336448 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@@]3(Cc4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CCC1 ZINC000587336452 KK Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336454 KK Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336463 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587336464 KK Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336467 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587336470 KK Annotated Anodyne CCOC(=O)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336471 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336473 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336474 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587336477 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587336478 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336480 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 ZINC000587336482 KK Annotated Reactive N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587336522 KK Annotated Mild CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336523 KK Annotated Anodyne N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587336531 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587336534 KK Annotated Mild CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336538 KK Annotated Anodyne N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CC2)c1=O ZINC000587336539 KK Annotated Mild CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336542 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336545 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336577 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587336582 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336587 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587336588 KK Annotated Anodyne O=C1c2cccc(Cl)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587336664 KK Annotated Anodyne O=C1c2cccc(Cl)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587336665 KK Annotated Anodyne O=C1c2cccc(Cl)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587336666 KK Annotated Anodyne O=C1c2cccc(Cl)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(Cl)c21 ZINC000587336667 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336673 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2Br)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587336687 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336689 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2Br)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587336699 KK Annotated Anodyne COC1=C[C@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336700 KK Annotated Anodyne COC1=C[C@@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336705 KK Annotated Anodyne COC1=C[C@@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587336711 KK Annotated Anodyne COC1=C[C@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587336714 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587336795 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587336796 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587336798 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587336799 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@H]1c1ccc(F)cc1 ZINC000587336850 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@H]1c1ccc(F)cc1 ZINC000587336856 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] ZINC000587336858 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336861 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1cccc2[N+](=O)[O-] ZINC000587336862 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@@H]1c1ccc(F)cc1 ZINC000587336865 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N ZINC000587336936 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N ZINC000587336940 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N ZINC000587336943 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N ZINC000587336947 KK Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(O)ccc1O2 ZINC000587336950 KK Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(O)ccc1O2 ZINC000587336959 KK Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(O)ccc1O2 ZINC000587336964 KK Annotated Anodyne CN(C)CCNc1ccc(CO)c2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(O)ccc1O2 ZINC000587336971 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587336975 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587336989 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587336995 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587337000 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337016 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337019 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337023 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587337026 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587337028 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587337030 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587337031 KK Annotated Reactive CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337052 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)o2)cc1 ZINC000587337057 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3ccccc3I)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337058 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)o2)cc1 ZINC000587337063 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337068 KK Annotated Mild COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)o2)cc1 ZINC000587337071 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337074 KK Annotated Mild COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)o2)cc1 ZINC000587337076 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337080 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337087 KK Annotated Mild CN1CCCC[C@@H]1Cn1cc([C@@]2(c3ccccc3I)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337090 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3ccccc3I)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337096 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3ccccc3I)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587337100 KK Annotated Anodyne C[C@@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337109 KK Annotated Mild C[C@@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337127 KK Annotated Mild CC1(C)C([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587337134 KK Annotated Anodyne C[C@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337138 KK Annotated Mild C[C@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337146 KK Annotated Mild CC1(C)C([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587337152 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337154 KK Annotated Anodyne CC1(C)C([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1(C)C ZINC000587337158 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccc(Br)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587337159 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337172 KK Annotated Anodyne CC1(C)C([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1(C)C ZINC000587337173 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccc(Br)cc32)[C@H]1c1ccc(F)cc1 ZINC000587337179 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337205 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337210 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337216 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337217 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337220 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337224 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337226 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337231 KK Annotated Anodyne CCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337258 KK Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337262 KK Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337266 KK Annotated Mild CCCCn1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587337278 KK Annotated Mild O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587337281 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587337303 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587337314 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587337324 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337345 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337351 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337356 KK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1F ZINC000587337357 KK Annotated Reactive COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337359 KK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337367 KK Annotated Anodyne Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1F ZINC000587337368 KK Annotated Reactive Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1F ZINC000587337371 KK Annotated Reactive Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1F ZINC000587337374 KK Annotated Reactive N#C[C@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337389 KK Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337391 KK Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337393 KK Annotated Mild Cc1ccccc1NC(=O)COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337394 KK Annotated Anodyne N#C[C@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337395 KK Annotated Mild Cc1ccccc1NC(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337397 KK Annotated Anodyne Cc1ccccc1NC(=O)COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337399 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1F ZINC000587337421 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1F ZINC000587337423 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1F ZINC000587337425 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1F ZINC000587337427 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587337444 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587337448 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587337451 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587337456 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587337488 KK Annotated Anodyne NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cc(OCCCN)ccc1-4 ZINC000587337490 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587337491 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587337493 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587337495 KK Annotated Anodyne NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cc(OCCCN)ccc1-4 ZINC000587337496 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cc(OCCCN)ccc1-4 ZINC000587337501 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cc(OCCCN)ccc1-4 ZINC000587337506 KK Annotated Bother COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337524 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337530 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337531 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337532 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337550 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337552 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337555 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337557 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1O2 ZINC000587337610 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1O2 ZINC000587337611 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1O2 ZINC000587337612 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1O2 ZINC000587337613 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337654 KK Annotated Anodyne CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587337655 KK Annotated Clean CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337656 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337657 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337658 KK Annotated Anodyne CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587337659 KK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(I)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587337696 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(I)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587337703 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(I)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587337708 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(I)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587337712 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(F)c1 ZINC000587337713 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c(F)c1 ZINC000587337714 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587337715 KK Annotated Reactive COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(F)c1 ZINC000587337716 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587337717 KK Annotated Reactive COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c(F)c1 ZINC000587337718 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587337720 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587337721 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587337730 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587337732 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587337736 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 ZINC000587337738 KK Annotated Reactive C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587337750 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587337757 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587337761 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587337765 KK Annotated Mild CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337825 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337849 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587337855 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587337861 KK Annotated Clean COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587337892 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587337893 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587337902 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587337903 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587337905 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587337906 KK Annotated Reactive COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587337907 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587337909 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587337912 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587337916 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 ZINC000587337919 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587337922 KK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337953 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587337970 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337979 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587337984 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000587337985 KK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587337986 KK Annotated Clean CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587337989 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000587337990 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000587337994 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587337997 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000587337998 KK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587338000 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587338002 KK Annotated Clean CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587338003 KK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587338007 KK Annotated Clean CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587338010 KK Annotated Anodyne O=C(N[C@@H](CC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587338078 KK Annotated Anodyne O=C(N[C@@H](CC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587338084 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338139 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338141 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338145 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338148 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccccc3F)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587338149 KK Annotated Anodyne COC1=C(N)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587338151 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccccc3F)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587338153 KK Annotated Anodyne COC1=C(N)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587338154 KK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccccc3F)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587338156 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccccc3F)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587338157 KK Annotated Anodyne COC1=C(N)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587338160 KK Annotated Mild COC1=C(N)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2C1=O ZINC000587338168 KK Annotated Mild CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587338194 KK Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587338195 KK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587338196 KK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587338197 KK Annotated Bother O=C(NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587338216 KK Annotated Anodyne O=C(NC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 ZINC000587338217 KK Annotated Anodyne COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338218 KK Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338219 KK Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338220 KK Annotated Mild COC1=C(N)C(=O)c2nc(-c3nc(C(=O)O)c(C)c(-c4ccc(OC)c(OC)c4O)c3N)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338221 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338222 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338223 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338224 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338225 KK Annotated Mild O=C1c2c([N+](=O)[O-])cccc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587338238 KK Annotated Bother O=C1c2c([N+](=O)[O-])cccc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587338239 KK Annotated Bother Cc1cccc(NC(=O)CN2C(=O)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)c1 ZINC000587338323 KK Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)c1 ZINC000587338326 KK Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)c1 ZINC000587338330 KK Annotated Anodyne Cc1cccc(NC(=O)CN2C(=O)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)c1 ZINC000587338336 KK Annotated Anodyne C[C@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338356 KK Annotated Anodyne C[C@@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338357 KK Annotated Anodyne C[C@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338361 KK Annotated Anodyne C[C@@]1(c2cccc(OCc3c(F)cccc3Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338365 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(N4CCOCC4)c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587338392 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338400 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc(N4CCOCC4)c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587338401 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338404 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(N4CCOCC4)c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587338405 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338407 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc(N4CCOCC4)c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587338408 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338409 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587338471 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCOc3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587338475 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587338478 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCOc3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587338481 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338486 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338490 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587338491 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338493 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338494 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338496 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338497 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587338499 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587338500 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(F)cc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587338501 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338503 KK Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338504 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587338505 KK Annotated Anodyne CCOC(=O)[C@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338507 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338508 KK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338509 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587338510 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338511 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338512 KK Annotated Anodyne CCOC(=O)[C@@]1(c2cccc(Br)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338513 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338516 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338518 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338519 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338522 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338523 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338525 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338526 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338527 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587338528 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587338529 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6cc(O)ccc6C(=O)[C@@H]4c4ccc(F)cc4)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587338539 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587338550 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6cc(O)ccc6C(=O)[C@H]4c4ccc(F)cc4)[C@@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587338551 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587338553 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6cc(O)ccc6C(=O)[C@H]4c4ccc(F)cc4)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587338554 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587338557 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587338559 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6cc(O)ccc6C(=O)[C@@H]4c4ccc(F)cc4)[C@@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587338561 KK Annotated Mild Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587338603 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)c(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587338626 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)c(F)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587338629 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(F)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587338630 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587338635 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587338637 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)[C@H]1c1ccc(F)cc1 ZINC000587338639 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cnn(-c3ccccc3)c2)(c2cc(F)ccc2O)[C@@H]1c1ccc(F)cc1 ZINC000587338641 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587338652 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587338653 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587338654 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587338655 KK Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338850 KK Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338857 KK Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587338858 KK Annotated Anodyne COC1=COC(COC(=O)Nc2ccccc2)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587338859 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000587338898 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000587338902 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000587338904 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 ZINC000587338906 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COc2cccc3c(O)nccc23)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587338912 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COc2cccc3c(O)nccc23)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587338914 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](COc2cccc3c(O)nccc23)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587338915 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](COc2cccc3c(O)nccc23)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587338916 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338960 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587338963 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338965 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587338967 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339008 KK Annotated Reactive C[C@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339014 KK Annotated Reactive C[C@@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339017 KK Annotated Reactive C[C@@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339018 KK Annotated Reactive N#Cc1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587339020 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587339021 KK Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587339022 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587339023 KK Annotated Mild CN(C)c1ccc([C@]2(Cc3nc4ccccc4c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339024 KK Annotated Bother CN(C)c1ccc([C@]2(Cc3nc4ccccc4c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339029 KK Annotated Bother CN(C)c1ccc([C@@]2(Cc3nc4ccccc4c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339034 KK Annotated Bother CN(C)c1ccc([C@@]2(Cc3nc4ccccc4c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339037 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587339075 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587339078 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)c(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587339083 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)c(OC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587339087 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587339134 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 ZINC000587339141 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587339144 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 ZINC000587339146 KK Annotated Anodyne CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339155 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339166 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339169 KK Annotated Bother COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339173 KK Annotated Anodyne CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339175 KK Annotated Bother COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339187 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339197 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339198 KK Annotated Anodyne C[C@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339226 KK Annotated Anodyne C[C@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339230 KK Annotated Anodyne C[C@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339232 KK Annotated Anodyne C[C@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339236 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339252 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587339261 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339264 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587339267 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339353 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339361 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339364 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339365 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339367 KK Annotated Mild COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339368 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339369 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339373 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339436 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339443 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339446 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339451 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339455 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc(I)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587339460 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339463 KK Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587339464 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc(I)cc32)[C@H]1c1ccc(F)cc1 ZINC000587339466 KK Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587339468 KK Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587339472 KK Annotated Anodyne Cc1ccc(NC(=O)CN2C(=O)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587339476 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587339488 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587339491 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(I)=COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587339496 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(I)=COc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587339504 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(I)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339506 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(I)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339508 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(I)c2)[C@H]1c1ccc(F)cc1 ZINC000587339513 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(I)c2)[C@H]1c1ccc(F)cc1 ZINC000587339516 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587339570 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587339574 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587339577 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339581 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587339583 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339587 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339593 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339597 KK Annotated Mild O=C(N[C@@H](Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339619 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339623 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339626 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339628 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339630 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccccc2I)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339632 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339638 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339646 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339652 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339661 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339671 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587339681 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339685 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 ZINC000587339692 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587339696 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 ZINC000587339698 KK Annotated Reactive CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339707 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339713 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339716 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339717 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339720 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339721 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587339724 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339725 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339775 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339776 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339780 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3cc(F)ccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339783 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339785 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339789 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587339790 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587339792 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339817 KK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339820 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339822 KK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339827 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339839 KK Annotated Clean COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587339840 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587339841 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587339842 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 ZINC000587339843 KK Annotated Mild CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339844 KK Annotated Clean CCn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339849 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339850 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339851 KK Annotated Mild CCn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587339852 KK Annotated Mild CCCCCn1ccc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339877 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339878 KK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587339879 KK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587339880 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339933 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339937 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2cc1OC ZINC000587339955 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2cc1OC ZINC000587339956 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2cc1OC ZINC000587339957 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2cc1OC ZINC000587339958 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587339974 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587339977 KK Annotated Clean O=C1c2ccc(O)cc2O[C@](c2ccc(I)cc2)([C@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000587339980 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(I)cc2)([C@@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000587339986 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(I)cc2)([C@@H]2CCCO2)[C@H]1c1ccc(F)cc1 ZINC000587339987 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(I)cc2)([C@H]2CCCO2)[C@@H]1c1ccc(F)cc1 ZINC000587339990 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587340006 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 ZINC000587340007 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(F)c2)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587340012 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(F)c2)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 ZINC000587340016 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340021 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340025 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340029 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340032 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587340047 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587340050 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587340053 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587340056 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340116 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340132 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340137 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340144 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340181 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340184 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340186 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(I)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340190 KK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340250 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340254 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340257 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340259 KK Annotated Bother COc1ccc2c(c1I)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340285 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340286 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340289 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340290 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340293 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340295 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340298 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340302 KK Annotated Anodyne CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340315 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340317 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340319 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340320 KK Annotated Mild Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340325 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340326 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340340 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340341 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340344 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340345 KK Annotated Bother Nc1c([C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587340399 KK Annotated Anodyne Nc1c([C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587340402 KK Annotated Anodyne Nc1c([C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587340403 KK Annotated Anodyne Nc1c([C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000587340405 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)[C@H]1c1ccc(F)cc1 ZINC000587340419 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)[C@H]1c1ccc(F)cc1 ZINC000587340424 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)[C@@H]1c1ccc(F)cc1 ZINC000587340428 KK Annotated Anodyne CN1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587340429 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)[C@@H]1c1ccc(F)cc1 ZINC000587340431 KK Annotated Anodyne CN1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587340437 KK Annotated Bother CN1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587340440 KK Annotated Bother CN1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587340443 KK Annotated Bother COc1ccc(I)c2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340446 KK Annotated Anodyne COc1ccc(I)c2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340450 KK Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340455 KK Annotated Anodyne COc1ccc(I)c2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340462 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2I)[C@H]1c1ccc(F)cc1 ZINC000587340466 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2I)[C@H]1c1ccc(F)cc1 ZINC000587340474 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587340478 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2I)[C@@H]1c1ccc(F)cc1 ZINC000587340480 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2I)[C@@H]1c1ccc(F)cc1 ZINC000587340483 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587340484 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587340489 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587340492 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2I)[C@@H]1c1ccc(F)cc1 ZINC000587340541 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2I)[C@@H]1c1ccc(F)cc1 ZINC000587340546 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2I)[C@H]1c1ccc(F)cc1 ZINC000587340552 KK Annotated Reactive COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587340556 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2I)[C@H]1c1ccc(F)cc1 ZINC000587340557 KK Annotated Reactive COc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587340560 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587340561 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587340566 KK Annotated Anodyne COc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587340568 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587340569 KK Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1I ZINC000587340578 KK Annotated Anodyne COc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1I ZINC000587340581 KK Annotated Anodyne CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340584 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340593 KK Annotated Clean O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587340596 KK Annotated Reactive CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340599 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587340600 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587340607 KK Annotated Reactive CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340609 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587340612 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587340634 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587340638 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587340640 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587340642 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587340644 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587340645 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(N3CCOCC3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587340647 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)[C@H]1c1ccc(F)cc1 ZINC000587340648 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340658 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc(OC)c1 ZINC000587340660 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340663 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340668 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc(OC)c1 ZINC000587340670 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340672 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc(OC)c1 ZINC000587340674 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc(OC)c1 ZINC000587340680 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340681 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340685 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340686 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340687 KK Annotated Anodyne C[C@@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340707 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587340711 KK Annotated Anodyne C[C@@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340713 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340714 KK Annotated Reactive CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000587340715 KK Annotated Anodyne C[C@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340716 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587340717 KK Annotated Reactive C[C@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340718 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2C1 ZINC000587340719 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340720 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 ZINC000587340722 KK Annotated Reactive CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]2C1 ZINC000587340723 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1ccccc1F ZINC000587340736 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1ccccc1F ZINC000587340741 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1ccccc1F ZINC000587340743 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1ccccc1F ZINC000587340745 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340751 KK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340754 KK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340755 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340757 KK Annotated Anodyne O=C(O)CC[C@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340758 KK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340760 KK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340761 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340762 KK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc(I)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340763 KK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340764 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340779 KK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340782 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1cccc(F)c1 ZINC000587340832 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1-c1cccc(F)c1 ZINC000587340834 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1cccc(F)c1 ZINC000587340843 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1-c1cccc(F)c1 ZINC000587340846 KK Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587340849 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587340855 KK Annotated Bother CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587340859 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587340860 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587340861 KK Annotated Bother CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587340863 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587340865 KK Annotated Bother CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587340867 KK Annotated Anodyne CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C(=O)NCc2ccc(F)cc2)N=C1C(C)(C)NC(=O)OCc1ccccc1 ZINC000587340870 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587340872 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587340874 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587340880 KK Annotated Reactive CC(C)n1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587340905 KK Annotated Mild CC(C)n1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587340911 KK Annotated Mild CC(C)n1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587340915 KK Annotated Mild CC(C)n1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C#N)c1=O ZINC000587340920 KK Annotated Mild Cc1cc([C@]2(CN3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587340921 KK Annotated Clean CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587340928 KK Annotated Anodyne Cc1cc([C@]2(CN3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587340932 KK Annotated Clean Cc1cc([C@@]2(CN3CCCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587340936 KK Annotated Clean CCn1c2ccc(C(C)=O)cc2c2cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587340940 KK Annotated Anodyne Cc1cc([C@@]2(CN3CCCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)cc1 ZINC000587340942 KK Annotated Clean CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 ZINC000587340948 KK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 ZINC000587340953 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587340968 KK Annotated Clean Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340970 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340976 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587340981 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587340982 KK Annotated Clean Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587340983 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587340987 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587340992 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587341005 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)[C@H]1c1ccc(F)cc1 ZINC000587341013 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587341019 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)[C@@H]1c1ccc(F)cc1 ZINC000587341025 KK Annotated Anodyne N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587341046 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587341054 KK Annotated Mild N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587341057 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn(C2CCCCC2)c1=O ZINC000587341062 KK Annotated Mild O=C1c2cccc(NC3CCCCC3)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(NC3CCCCC3)c21 ZINC000587341139 KK Annotated Clean O=C1c2cccc(NC3CCCCC3)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(NC3CCCCC3)c21 ZINC000587341143 KK Annotated Clean O=C1c2cccc(NC3CCCCC3)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc(NC3CCCCC3)c21 ZINC000587341144 KK Annotated Clean O=C1c2cccc(NC3CCCCC3)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(NC3CCCCC3)c21 ZINC000587341148 KK Annotated Clean O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587341203 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)[C@H]1c1ccc(F)cc1 ZINC000587341207 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587341212 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)[C@@H]1c1ccc(F)cc1 ZINC000587341213 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587341260 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587341262 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587341264 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587341267 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587341271 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587341272 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587341273 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587341274 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587341279 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587341280 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000587341281 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000587341282 KK Annotated Bother CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341497 KK Annotated Clean Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587341501 KK Annotated Mild CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341504 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341506 KK Annotated Clean Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587341508 KK Annotated Mild CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341511 KK Annotated Clean Cc1cc([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587341519 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587341522 KK Annotated Mild CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587341546 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587341553 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587341554 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C1=N2 ZINC000587341558 KK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341615 KK Annotated Anodyne CC[C@@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341619 KK Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341621 KK Annotated Anodyne CC[C@]1(c2cc(C(=O)OC)n(C(=O)OC(C)(C)C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341623 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587341625 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2cc1C ZINC000587341626 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2cc1C ZINC000587341627 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587341628 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2cc1C ZINC000587341629 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587341630 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2cc1C ZINC000587341631 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587341632 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341640 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341644 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587341646 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587341648 KK Annotated Anodyne COC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587341675 KK Annotated Mild COC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587341676 KK Annotated Mild COC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587341677 KK Annotated Mild COC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587341678 KK Annotated Mild CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341692 KK Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341694 KK Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341696 KK Annotated Anodyne CCCc1c2c(cc3c(=O)cc(C(=O)O)n(CC)c13)[C@@]1(C=C(C(=O)O)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341698 KK Annotated Anodyne O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587341722 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587341723 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587341725 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587341727 KK Annotated Reactive CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341738 KK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341741 KK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341743 KK Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341744 KK Annotated Anodyne CC(C)c1ccc(C(=O)Nc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587341745 KK Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341748 KK Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341751 KK Annotated Anodyne O=C(O)c1ccccc1CN1N=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341754 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587341759 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587341761 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587341764 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccc(N3CCOCC3)cc2)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587341766 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(I)cc(C(F)(F)F)c32)[C@H]1c1ccc(F)cc1 ZINC000587341786 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)Nc3cc(I)cc(C(F)(F)F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587341788 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(I)cc(C(F)(F)F)c32)[C@H]1c1ccc(F)cc1 ZINC000587341790 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)Nc3cc(I)cc(C(F)(F)F)c32)[C@@H]1c1ccc(F)cc1 ZINC000587341793 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1NC(=O)C(F)(F)F ZINC000587341810 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1NC(=O)C(F)(F)F ZINC000587341814 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1NC(=O)C(F)(F)F ZINC000587341816 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1NC(=O)C(F)(F)F ZINC000587341818 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587341820 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587341822 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587341823 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587341824 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587341826 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1O2 ZINC000587341829 KK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341915 KK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341916 KK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587341917 KK Annotated Anodyne COC(=O)N[C@H](c1ccccc1)C(C)(C)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587341918 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587341952 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587341957 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587341958 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587341961 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341976 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341980 KK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341981 KK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587341982 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587342006 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587342009 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587342012 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587342014 KK Annotated Anodyne Cn1cc([C@H](C[C@@]2(c3ccc(C4CCCCC4)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O)c2ccccc21 ZINC000587342058 KK Annotated Anodyne Cn1cc([C@H](C[C@@]2(c3ccc(C4CCCCC4)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O)c2ccccc21 ZINC000587342061 KK Annotated Anodyne Cn1cc([C@H](C[C@]2(c3ccc(C4CCCCC4)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)O)c2ccccc21 ZINC000587342064 KK Annotated Anodyne Cn1cc([C@H](C[C@]2(c3ccc(C4CCCCC4)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)O)c2ccccc21 ZINC000587342067 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc12 ZINC000587342090 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc12 ZINC000587342091 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc12 ZINC000587342093 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc12 ZINC000587342094 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342208 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587342209 KK Annotated Anodyne O=C(O)[C@H]1C[C@@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342210 KK Annotated Anodyne O=C(O)[C@H]1C[C@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342211 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)[C@@H]1c1ccc(F)cc1 ZINC000587342212 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342213 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342214 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342215 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@H]1c1ccc(F)cc1 ZINC000587342264 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@@H]1c1ccc(F)cc1 ZINC000587342267 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@@H]1c1ccc(F)cc1 ZINC000587342270 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)[C@H]1c1ccc(F)cc1 ZINC000587342272 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342367 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342368 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342369 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342370 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1)c1ccccc1 ZINC000587342397 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1)c1ccccc1 ZINC000587342398 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1)c1ccccc1 ZINC000587342399 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1)c1ccccc1 ZINC000587342400 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342407 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342408 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342419 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342420 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342421 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342422 KK Annotated Bother CCOC(=O)c1cn(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587342427 KK Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587342428 KK Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587342429 KK Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587342430 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342448 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342449 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587342495 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587342497 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587342498 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587342507 KK Annotated Anodyne Nc1ccccc1[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342517 KK Annotated Anodyne Nc1ccccc1[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342519 KK Annotated Anodyne Nc1ccccc1[C@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342522 KK Annotated Anodyne Nc1ccccc1[C@@]1(CCN2C(=O)c3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342524 KK Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342541 KK Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342543 KK Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342545 KK Annotated Anodyne CCOC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342547 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342550 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342553 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342555 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342557 KK Annotated Bother Cn1cc([C@@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342587 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342588 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342589 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342590 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2CC1 ZINC000587342591 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2CC1 ZINC000587342592 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2CC1 ZINC000587342593 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2CC1 ZINC000587342594 KK Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342603 KK Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342604 KK Annotated Anodyne CCOC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342605 KK Annotated Anodyne CCOC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342606 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342638 KK Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587342642 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342643 KK Annotated Anodyne CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587342644 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342645 KK Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587342646 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3ccccc3)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342647 KK Annotated Anodyne CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587342648 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(F)cc1 ZINC000587342658 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(F)cc1 ZINC000587342659 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1c1ccc(F)cc1 ZINC000587342661 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1c1ccc(F)cc1 ZINC000587342663 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587342710 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587342713 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587342716 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587342719 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342779 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342781 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587342783 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(Cc3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587342784 KK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342797 KK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587342800 KK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342809 KK Annotated Anodyne C[C@H](N1C(=O)c2ccccc2C1=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587342810 KK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3cc(O)ccc32)cc1 ZINC000587342819 KK Annotated Anodyne Cc1ccc(-n2c(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3cc(O)ccc32)cc1 ZINC000587342820 KK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3cc(O)ccc32)cc1 ZINC000587342821 KK Annotated Anodyne Cc1ccc(-n2c(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3cc(O)ccc32)cc1 ZINC000587342822 KK Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587342859 KK Annotated Anodyne CCOC(=O)c1cc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587342861 KK Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1C ZINC000587342862 KK Annotated Anodyne CCOC(=O)c1cc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1C ZINC000587342863 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342899 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342902 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342903 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342904 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342905 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342906 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@]2(c3cccc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587342907 KK Annotated Anodyne O=C1c2cccc([N+](=O)[O-])c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cccc([N+](=O)[O-])c21 ZINC000587342908 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587342919 KK Annotated Bother CC(C)(C)OC(=O)N1c2ccccc2[C@@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342920 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(=O)N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587342921 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc32)[C@@H]1c1ccc(F)cc1 ZINC000587342922 KK Annotated Bother CC(C)(C)OC(=O)N1c2ccccc2[C@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342923 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc32)[C@H]1c1ccc(F)cc1 ZINC000587342924 KK Annotated Bother CC(C)(C)OC(=O)N1c2ccccc2[C@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587342925 KK Annotated Anodyne CC(C)(C)OC(=O)N1c2ccccc2[C@@]2(CC1(C)C)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587342927 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587342977 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587342978 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587342979 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc12 ZINC000587342980 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587342985 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587342986 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587342987 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587342988 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587343033 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587343036 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587343037 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(N3C(=O)C=CC3=O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587343041 KK Annotated Anodyne Nc1c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587343082 KK Annotated Bother Nc1c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587343083 KK Annotated Bother Nc1c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587343085 KK Annotated Bother Nc1c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587343086 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587343165 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587343168 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587343169 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587343172 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343236 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343240 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343242 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343243 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587343245 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587343249 KK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343250 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587343251 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587343252 KK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343253 KK Annotated Anodyne CC(C)[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587343257 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343259 KK Annotated Anodyne CC(C)[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587343260 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343261 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343263 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343265 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343287 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343289 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343290 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343292 KK Annotated Anodyne N#Cc1cccc(-c2nc3ccc([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3[nH]2)c1 ZINC000587343294 KK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3[nH]2)c1 ZINC000587343297 KK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)cc3[nH]2)c1 ZINC000587343299 KK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)cc3[nH]2)c1 ZINC000587343301 KK Annotated Mild N#Cc1ccc(-c2nc3cc([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000587343376 KK Annotated Mild N#Cc1ccc(-c2nc3cc([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000587343377 KK Annotated Mild N#Cc1ccc(-c2nc3cc([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000587343378 KK Annotated Mild N#Cc1ccc(-c2nc3cc([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)ccc3[nH]2)cc1 ZINC000587343379 KK Annotated Mild CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587343389 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587343390 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587343393 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587343396 KK Annotated Bother Cn1c(-c2ccccc2)c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343401 KK Annotated Mild Cn1c(-c2ccccc2)c([C@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343405 KK Annotated Mild Cn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343407 KK Annotated Mild Cn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587343408 KK Annotated Mild COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343413 KK Annotated Bother COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343414 KK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343415 KK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343417 KK Annotated Bother Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343419 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343421 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343423 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343424 KK Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343495 KK Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343497 KK Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343500 KK Annotated Anodyne O=C(Nc1ccccn1)c1nc[nH]c1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343501 KK Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343708 KK Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343713 KK Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343715 KK Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343723 KK Annotated Mild NN1C(=O)c2cccc3c([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)ccc(c23)C1=O ZINC000587343726 KK Annotated Anodyne NN1C(=O)c2cccc3c([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)ccc(c23)C1=O ZINC000587343733 KK Annotated Anodyne NN1C(=O)c2cccc3c([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)ccc(c23)C1=O ZINC000587343735 KK Annotated Anodyne NN1C(=O)c2cccc3c([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)ccc(c23)C1=O ZINC000587343737 KK Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2nc3ccccc3c(O)c21 ZINC000587343775 KK Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2nc3ccccc3c(O)c21 ZINC000587343779 KK Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2nc3ccccc3c(O)c21 ZINC000587343783 KK Annotated Anodyne O=C1c2[nH]c3ccccc3c(=O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2nc3ccccc3c(O)c21 ZINC000587343785 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343799 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343804 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343807 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343812 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343917 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343918 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587343919 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587343920 KK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343952 KK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587343954 KK Annotated Anodyne CCC[C@H](N1CCCC1)[C@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343957 KK Annotated Anodyne CCC[C@H](N1CCCC1)[C@@]1(c2ccc3ccccc3c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587343960 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587343971 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587343972 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587343973 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587343974 KK Annotated Anodyne C=C1N[C@]2([C@@]3(COC(C)=O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587344109 KK Annotated Mild C=C1N[C@]2([C@]3(COC(C)=O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587344118 KK Annotated Mild COc1cc2[nH]cc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(=O)c2cc1OC ZINC000587344182 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(=O)c2cc1OC ZINC000587344183 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(=O)c2cc1OC ZINC000587344184 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(=O)c2cc1OC ZINC000587344185 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587344211 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)[C@H]1c1ccc(F)cc1 ZINC000587344212 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587344213 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)[C@H]1c1ccc(F)cc1 ZINC000587344214 KK Annotated Anodyne O=C(O)c1cccc(-n2cc([C@]3(c4ccccc4O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)c1 ZINC000587344221 KK Annotated Anodyne O=C(O)c1cccc(-n2cc([C@@]3(c4ccccc4O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)c1 ZINC000587344222 KK Annotated Anodyne O=C(O)c1cccc(-n2cc([C@@]3(c4ccccc4O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cn2)c1 ZINC000587344223 KK Annotated Anodyne O=C(O)c1cccc(-n2cc([C@]3(c4ccccc4O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cn2)c1 ZINC000587344225 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344239 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344245 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344248 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344250 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344257 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344258 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344259 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1c1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344260 KK Annotated Anodyne COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587344313 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587344314 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587344315 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587344316 KK Annotated Mild CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344341 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344342 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587344343 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587344344 KK Annotated Anodyne C=C1N[C@]2([C@]3(COC(C)=O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587344347 KK Annotated Mild C=C1N[C@]2([C@@]3(COC(C)=O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H](C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)O1 ZINC000587344348 KK Annotated Mild COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344397 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344399 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344404 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344407 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344570 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344576 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587344579 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587344581 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3nn(Cc4ccon4)c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587344614 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3nn(Cc4ccon4)c4cccc2c34)[C@H]1c1ccc(F)cc1 ZINC000587344620 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3nn(Cc4ccon4)c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587344622 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3nn(Cc4ccon4)c4cccc2c34)[C@@H]1c1ccc(F)cc1 ZINC000587344625 KK Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587344626 KK Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587344628 KK Annotated Anodyne CCOC(=O)c1cn(C[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587344629 KK Annotated Anodyne CCOC(=O)c1cn(C[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C(=O)OCC)n1 ZINC000587344630 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000587344713 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000587344714 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000587344715 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](Cc2nc3ccccc3[nH]2)(c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000587344716 KK Annotated Bother COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587344834 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587344837 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587344839 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1N1CCCC1 ZINC000587344843 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344905 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344909 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587344915 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587344919 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587344961 KK Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587344964 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587344968 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587344972 KK Annotated Mild CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587344974 KK Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587344976 KK Annotated Mild CC(C)(C)OC(=O)N1CCC([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587344977 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587344979 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CCN(C(=O)OCc4ccccc4)CC3)C2)[C@@H]1c1ccc(F)cc1 ZINC000587344992 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CC3(CCN(C(=O)OCc4ccccc4)CC3)C2)[C@H]1c1ccc(F)cc1 ZINC000587344995 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@H]2c2ccc(N3CCCC3)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587345027 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@@H]2c2ccc(N3CCCC3)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587345037 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@H]2c2ccc(N3CCCC3)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000587345042 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)c3ccc4ccccc4c3O[C@@H]2c2ccc(N3CCCC3)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000587345044 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587345046 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587345051 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587345055 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587345061 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345070 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345075 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345079 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCCC ZINC000587345082 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345088 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345094 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345096 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345098 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCCc4ccccc43)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345252 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCCc4ccccc43)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345254 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCCc4ccccc43)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345255 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCCc4ccccc43)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587345257 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345284 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345285 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345286 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587345287 KK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345304 KK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345305 KK Annotated Anodyne Cc1ccc([C@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345306 KK Annotated Anodyne Cc1ccc([C@@]2(c3[nH]c4ccccc4c3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345307 KK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345323 KK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345326 KK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345327 KK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345330 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345340 KK Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345347 KK Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345351 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345352 KK Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345355 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345356 KK Annotated Anodyne COc1cc2ccccc2cc1[C@]1([C@H]2CCCN(C=O)C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345359 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345361 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345363 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587345366 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345370 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1C ZINC000587345371 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587345373 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1C ZINC000587345381 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1C ZINC000587345385 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1C ZINC000587345388 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345436 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345449 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345453 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345457 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587345463 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587345467 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587345470 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587345474 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c2ccccc21 ZINC000587345476 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c2ccccc21 ZINC000587345484 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345487 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c2ccccc21 ZINC000587345489 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(N4CCOCC4)cc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345492 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587345494 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c2ccccc21 ZINC000587345495 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(N4CCOCC4)cc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587345497 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345608 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345611 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345616 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345618 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345668 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345669 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345670 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345671 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345676 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345677 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345678 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345679 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345726 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345728 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345730 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345732 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587345744 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000587345749 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587345752 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000587345754 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345804 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345807 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345808 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345810 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345892 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345896 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345899 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587345902 KK Annotated Anodyne C[C@@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345918 KK Annotated Anodyne C[C@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345920 KK Annotated Anodyne C[C@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345923 KK Annotated Anodyne C[C@@]1(c2ccc(N3CCN(C(=O)CN(CC(=O)O)c4ccccc4)CC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345925 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345948 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345954 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587345956 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587345959 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587345961 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587345968 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587345972 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1N1CCCC1 ZINC000587345974 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccc4oc5ccccc5c4c3)N3CCC2CC3)[C@@H]1c1ccc(F)cc1 ZINC000587346008 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C/c3ccc4oc5ccccc5c4c3)N3CCC2CC3)[C@H]1c1ccc(F)cc1 ZINC000587346015 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccc4oc5ccccc5c4c3)N3CCC2CC3)[C@H]1c1ccc(F)cc1 ZINC000587346018 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(/C(=C\c3ccc4oc5ccccc5c4c3)N3CCC2CC3)[C@@H]1c1ccc(F)cc1 ZINC000587346021 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C(=O)O)ccc1O2 ZINC000587346029 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C(=O)O)ccc1O2 ZINC000587346036 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C(=O)O)ccc1O2 ZINC000587346039 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C(=O)O)ccc1O2 ZINC000587346044 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587346046 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587346051 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587346053 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587346057 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346077 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346083 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346089 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2ccc(OC)c(OC)c2OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346092 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(N4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587346122 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346125 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346127 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(N4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587346128 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@H](c3ccc(N4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587346131 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(=O)[C@@H](c3ccc(N4CCCC4)c(O)c3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587346134 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346137 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346142 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587346145 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587346146 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346148 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346151 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346155 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346157 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587346261 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCC ZINC000587346262 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587346263 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCC ZINC000587346264 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346271 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346272 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(O)ccc7C(=O)[C@H]6c6ccc(F)cc6)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587346295 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(O)ccc7C(=O)[C@H]6c6ccc(F)cc6)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587346298 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(O)ccc7C(=O)[C@@H]6c6ccc(F)cc6)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587346301 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(O)ccc7C(=O)[C@@H]6c6ccc(F)cc6)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587346303 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346307 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346309 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346311 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346314 KK Annotated Mild COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346361 KK Annotated Anodyne COc1ccccc1[C@@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346366 KK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346368 KK Annotated Anodyne COc1ccccc1[C@]1(C[C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346370 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587346388 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587346398 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587346401 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587346404 KK Annotated Anodyne CN(C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587346414 KK Annotated Anodyne CN(C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587346416 KK Annotated Anodyne CN(C(=O)[C@@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587346419 KK Annotated Anodyne CN(C(=O)[C@]1(c2c[nH]c3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000587346422 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346425 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346429 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346432 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(c2cccc3ccccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346434 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587346450 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587346453 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587346455 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(OC)c1OC ZINC000587346457 KK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587346467 KK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587346471 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587346472 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346474 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346477 KK Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587346478 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346480 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346483 KK Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587346484 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587346486 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346575 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346577 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346581 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346583 KK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346586 KK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346591 KK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346594 KK Annotated Anodyne COC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587346596 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346612 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346616 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346620 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346624 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587346704 KK Annotated Anodyne CN(C)C1CCN(C[C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587346705 KK Annotated Anodyne CN(C)C1CCN(C[C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587346706 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587346707 KK Annotated Anodyne CN(C)C1CCN(C[C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587346709 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587346710 KK Annotated Anodyne CN(C)C1CCN(C[C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587346712 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587346715 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587346732 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587346739 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587346746 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587346747 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587346784 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587346787 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)o1 ZINC000587346829 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)o1 ZINC000587346831 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)o1 ZINC000587346833 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346835 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)o1 ZINC000587346836 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346837 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346838 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346840 KK Annotated Anodyne Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346848 KK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346850 KK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587346851 KK Annotated Clean Cc1[nH]c(N=Nc2cccc(C(=O)O)c2)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587346852 KK Annotated Clean CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587346891 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587346896 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587346902 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587346906 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587346922 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587346923 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587346924 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587346925 KK Annotated Mild COc1ccc([C@]2(c3cccc(OC)c3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587346934 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587346935 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC ZINC000587346936 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000587346937 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587346938 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587346939 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587346940 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587346941 KK Annotated Mild COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587346991 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587346993 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587346994 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C)cc(O)c1C2=O ZINC000587346995 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1cc(C)cc(O)c1C2=O ZINC000587346996 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587346997 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C)cc(O)c1C2=O ZINC000587346999 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1cc(C)cc(O)c1C2=O ZINC000587347000 KK Annotated Anodyne C[C@@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347054 KK Annotated Anodyne C[C@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347055 KK Annotated Anodyne C[C@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347056 KK Annotated Anodyne C[C@@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347057 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(C)C)C(=O)OCC ZINC000587347058 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(C)C)C(=O)OCC ZINC000587347059 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C)C(=O)OCC ZINC000587347060 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(C)C)C(=O)OCC ZINC000587347061 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347085 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1Cc1ccccc1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347086 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347097 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347098 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347100 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587347104 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347185 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347189 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347190 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347192 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347229 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347233 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347234 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347235 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587347267 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587347273 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587347277 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(O)ccc5C(=O)[C@H]3c3ccc(F)cc3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587347280 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347326 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347332 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587347335 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347338 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587347340 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347343 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587347344 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587347350 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587347351 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587347353 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587347356 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587347358 KK Annotated Anodyne C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347421 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347423 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347424 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347427 KK Annotated Mild COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000587347485 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000587347486 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000587347487 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000587347488 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587347505 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587347510 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587347511 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587347513 KK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347607 KK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347608 KK Annotated Anodyne COC(=O)[C@@]1(c2ccccc2COc2ccccc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347609 KK Annotated Anodyne COC(=O)[C@]1(c2ccccc2COc2ccccc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347610 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347667 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347672 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587347675 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587347677 KK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347678 KK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347680 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587347681 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587347684 KK Annotated Mild C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587347702 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587347703 KK Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587347704 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587347707 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3C(Cc3ccncc3)(Cc3ccncc3)c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587347849 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3ccccc3C(Cc3ccncc3)(Cc3ccncc3)c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587347859 KK Annotated Anodyne O=C1c2cc3ccccc3cc2C2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc3ccccc3cc21 ZINC000587347900 KK Annotated Anodyne O=C1c2cc3ccccc3cc2C2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc3ccccc3cc21 ZINC000587347907 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587347991 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587347994 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587347997 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587347999 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348010 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348014 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348017 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348018 KK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@]4(CC[C@]3(C)[C@H]1CC2)Oc1cc(O)ccc1C(=O)[C@H]4c1ccc(F)cc1 ZINC000587348023 KK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@@]4(CC[C@]3(C)[C@H]1CC2)Oc1cc(O)ccc1C(=O)[C@@H]4c1ccc(F)cc1 ZINC000587348031 KK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@]4(CC[C@]3(C)[C@H]1CC2)Oc1cc(O)ccc1C(=O)[C@H]4c1ccc(F)cc1 ZINC000587348034 KK Annotated Anodyne C[C@@]12C=CC[C@H]1[C@@H]1CC[C@H]3C[C@]4(CC[C@]3(C)[C@H]1CC2)Oc1cc(O)ccc1C(=O)[C@@H]4c1ccc(F)cc1 ZINC000587348038 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348058 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348068 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348073 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348079 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587348101 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587348105 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587348109 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587348111 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587348113 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587348114 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587348120 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587348121 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c-2ccc2c(C)cccc12 ZINC000587348180 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c-2ccc2c(C)cccc12 ZINC000587348184 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587348203 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587348214 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587348217 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587348221 KK Annotated Clean COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587348348 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587348349 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587348350 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587348355 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348366 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348371 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348373 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348376 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348408 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348416 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348418 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cc(O)ccc1-3 ZINC000587348420 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348421 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cc(O)ccc1-3 ZINC000587348423 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cc(O)ccc1-3 ZINC000587348427 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cc(O)ccc1-3 ZINC000587348430 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)[C@H]1c1ccc(F)cc1 ZINC000587348460 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587348461 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c-2ccc2c(C)cccc12 ZINC000587348490 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c-2ccc2c(C)cccc12 ZINC000587348492 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587348530 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587348533 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587348535 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587348538 KK Annotated Anodyne CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348576 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348581 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587348606 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587348617 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587348624 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587348628 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348682 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348688 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348692 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348694 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348711 KK Annotated Mild C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348717 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348729 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348735 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348736 KK Annotated Mild CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587348741 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348742 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348743 KK Annotated Mild CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587348747 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348751 KK Annotated Mild CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587348752 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348754 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587348760 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348765 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587348769 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587348773 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348936 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587348942 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348945 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587348946 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587348948 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587348949 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587348955 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587348964 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587348971 KK Annotated Clean CC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587348976 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587348979 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)c1 ZINC000587348984 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587348985 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587348987 KK Annotated Clean CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)c1 ZINC000587348990 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587348993 KK Annotated Clean CC(C)(C)c1ccc([C@@]2(Cc3nc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349032 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(Cc3nc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349034 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(Cc3nc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349036 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(Cc3nc4ccccc4o3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349038 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587349206 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587349209 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)CC1 ZINC000587349213 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)CC1 ZINC000587349222 KK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349236 KK Annotated Mild CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349266 KK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349268 KK Annotated Mild CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349271 KK Annotated Anodyne CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349273 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]5c1ccc(F)cc1 ZINC000587349274 KK Annotated Anodyne CCCCCCC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349276 KK Annotated Mild CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349279 KK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349286 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]5c1ccc(F)cc1 ZINC000587349289 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]5c1ccc(F)cc1 ZINC000587349295 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]5c1ccc(F)cc1 ZINC000587349304 KK Annotated Anodyne O=C(O)CCCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349310 KK Annotated Anodyne O=C(O)CCCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587349314 KK Annotated Anodyne O=C(O)CCCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349320 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000587349321 KK Annotated Anodyne O=C(O)CCCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587349324 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000587349331 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC000587349341 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC000587349352 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349422 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349426 KK Annotated Anodyne COC(=O)C(=O)C[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349432 KK Annotated Anodyne COC(=O)C(=O)C[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349444 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349452 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349469 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349478 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349489 KK Annotated Anodyne CCCCCCCCCCCC1(CCCCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349533 KK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349541 KK Annotated Mild CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349575 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349585 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349597 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349599 KK Annotated Mild CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349603 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349606 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587349613 KK Annotated Mild O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349615 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587349620 KK Annotated Mild O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349624 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349632 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349645 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587349699 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587349709 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587349715 KK Annotated Mild O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349716 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587349719 KK Annotated Mild O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349724 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587349742 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587349755 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587349851 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587349852 KK Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn2c1nc1ccccc12 ZINC000587349863 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn2c1nc1ccccc12 ZINC000587349867 KK Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn2c1nc1ccccc12 ZINC000587349869 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn2c1nc1ccccc12 ZINC000587349871 KK Annotated Mild CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)CC1 ZINC000587349945 KK Annotated Anodyne CCCCC[C@H]1CC[C@H](CCC2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)CC1 ZINC000587349951 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587349958 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587349967 KK Annotated Anodyne CCCCCCCCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350010 KK Annotated Mild CCCCCCCCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350024 KK Annotated Mild O=C(C[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000587350026 KK Annotated Anodyne O=C(C[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000587350030 KK Annotated Anodyne CCCCCCCCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350035 KK Annotated Mild O=C(C[C@H](C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000587350036 KK Annotated Anodyne O=C(C[C@H](C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1)c1ccccc1 ZINC000587350040 KK Annotated Anodyne CCCCCCCCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587350043 KK Annotated Mild CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587350066 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587350076 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587350096 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587350115 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350166 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350173 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350185 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350189 KK Annotated Mild C[C@@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350204 KK Annotated Anodyne C[C@@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350209 KK Annotated Anodyne C[C@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350214 KK Annotated Anodyne C[C@]1(c2ccccc2CCC(=O)OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350219 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350277 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350286 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350290 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350297 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350343 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350348 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350355 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350358 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587350359 KK Annotated Clean C[C@@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350363 KK Annotated Anodyne C[C@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350367 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587350371 KK Annotated Clean C[C@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350376 KK Annotated Anodyne O=C(C(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587350377 KK Annotated Clean C[C@@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350378 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587350381 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587350386 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587350387 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587350391 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587350393 KK Annotated Clean CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587350410 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587350424 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587350428 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587350433 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350470 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350479 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350488 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350494 KK Annotated Mild COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587350498 KK Annotated Anodyne COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587350503 KK Annotated Anodyne COc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587350506 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587350510 KK Annotated Anodyne COc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc3c(c1C2=O)C(=O)C[C@](C)(O)C3 ZINC000587350511 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587350515 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587350539 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587350541 KK Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](c1ccc(O)cc1)O2 ZINC000587350542 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587350543 KK Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](c1ccc(O)cc1)O2 ZINC000587350544 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)C1 ZINC000587350545 KK Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccc(O)cc1)O2 ZINC000587350546 KK Annotated Anodyne COc1cc2c(c(O)c1OC)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](c1ccc(O)cc1)O2 ZINC000587350548 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1OC ZINC000587350556 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1OC ZINC000587350559 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587350633 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000587350634 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587350639 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587350640 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587350641 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587350644 KK Annotated Mild CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350648 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350658 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350660 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350664 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350667 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587350680 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350691 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587350694 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1OC ZINC000587350702 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1OC ZINC000587350706 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587350712 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587350721 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587350728 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587350737 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587350790 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587350793 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)[C@H]1c1ccc(F)cc1 ZINC000587350797 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587350802 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2)C(=O)C1 ZINC000587350872 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2)C(=O)C1 ZINC000587350880 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2)C(=O)C1 ZINC000587350887 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2)C(=O)C1 ZINC000587350892 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350918 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350921 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587350926 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587350928 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351001 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351019 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351023 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351029 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587351032 KK Annotated Mild O=C(OCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(O)cc1 ZINC000587351035 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587351037 KK Annotated Mild O=C(OCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(O)cc1 ZINC000587351039 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587351042 KK Annotated Mild O=C(OCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(O)cc1 ZINC000587351043 KK Annotated Anodyne O=C(OCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(O)cc1 ZINC000587351047 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587351048 KK Annotated Mild COC(=O)[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587351049 KK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587351054 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)CC(OC)=CC4 ZINC000587351100 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)CC(OC)=CC4 ZINC000587351107 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587351125 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587351128 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587351131 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(O)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587351135 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1O ZINC000587351148 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)ccc1O ZINC000587351151 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1O ZINC000587351156 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)ccc1O ZINC000587351158 KK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587351260 KK Annotated Anodyne COC(=O)[C@H](Oc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587351261 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)CC(OC)=CC4 ZINC000587351287 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)CC(OC)=CC4 ZINC000587351288 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587351305 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587351306 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587351307 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)C1 ZINC000587351308 KK Annotated Clean COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)cc1OC ZINC000587351388 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)cc1OC ZINC000587351394 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)cc1OC ZINC000587351400 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)cc1OC ZINC000587351405 KK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@]2(c3ccc(Oc4ccccc4)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351576 KK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@@]2(c3ccc(Oc4ccccc4)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587351595 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587351598 KK Annotated Clean O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@@]2(c3ccc(Oc4ccccc4)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351599 KK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@]2(c3ccc(Oc4ccccc4)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587351601 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587351610 KK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587351619 KK Annotated Clean Cc1ccc2c(c1)C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587351622 KK Annotated Clean COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C=CC(C)(C)O2 ZINC000587351625 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587351628 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C=CC(C)(C)O2 ZINC000587351630 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C=CC(C)(C)O2 ZINC000587351632 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C=CC(C)(C)O2 ZINC000587351633 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587351638 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351639 KK Annotated Mild CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351640 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587351641 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351644 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587351645 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351646 KK Annotated Mild CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351648 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587351649 KK Annotated Mild CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351655 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587351657 KK Annotated Mild CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587351712 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587351715 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587351720 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587351723 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351746 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351747 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351748 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351749 KK Annotated Bother C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351918 KK Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587351927 KK Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351935 KK Annotated Anodyne C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587351942 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352032 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352040 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352047 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587352055 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352058 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587352059 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587352062 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352063 KK Annotated Mild CCCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCCC ZINC000587352065 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352068 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352070 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587352073 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352078 KK Annotated Mild CCCOc1ccc([C@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCCC ZINC000587352091 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OCCC ZINC000587352092 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OCCC ZINC000587352095 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352161 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352170 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352173 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352177 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352178 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352185 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352186 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352187 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352195 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587352197 KK Annotated Clean O=C(O)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352198 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352199 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587352200 KK Annotated Clean O=C(O)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352201 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587352202 KK Annotated Clean O=C1c2ccccc2C(=C2c3ccccc3C3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)c2ccccc21 ZINC000587352203 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587352204 KK Annotated Clean O=C1c2ccccc2C(=C2c3ccccc3C3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)c2ccccc21 ZINC000587352207 KK Annotated Anodyne O=C(O)CC[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352239 KK Annotated Bother O=C(O)CC[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352242 KK Annotated Bother O=C(O)CC[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352244 KK Annotated Bother O=C(O)CC[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352246 KK Annotated Bother CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@@H]12)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587352256 KK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@H]12)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587352257 KK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@H]12)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587352258 KK Annotated Clean CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(C[C@@H]12)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587352259 KK Annotated Clean COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587352272 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587352273 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587352274 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 ZINC000587352275 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587352316 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587352317 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587352319 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587352321 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587352352 KK Annotated Anodyne O=C1NCCC[C@@H]1[C@@]1(c2cc(-c3ccccc3)nc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352354 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587352355 KK Annotated Anodyne O=C1NCCC[C@@H]1[C@]1(c2cc(-c3ccccc3)nc3ccccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352357 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352428 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352430 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352431 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352434 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587352541 KK Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587352544 KK Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587352547 KK Annotated Clean CCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587352550 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352553 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352556 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352561 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352567 KK Annotated Bother C[C@@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352614 KK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352617 KK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352623 KK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352627 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587352663 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587352666 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C2=O ZINC000587352668 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C2=O ZINC000587352671 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587352683 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587352685 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587352687 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587352689 KK Annotated Anodyne C[C@@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352772 KK Annotated Anodyne C[C@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352773 KK Annotated Anodyne C[C@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352774 KK Annotated Anodyne C[C@@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352775 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352780 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352781 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352782 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352783 KK Annotated Anodyne CCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352911 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352919 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352921 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352924 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352953 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587352959 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352962 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587352964 KK Annotated Mild COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353014 KK Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353017 KK Annotated Anodyne COC(=O)c1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353019 KK Annotated Anodyne COC(=O)c1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000587353022 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)=C(OC)C1=O ZINC000587353026 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)=C(OC)C1=O ZINC000587353032 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)=C(OC)C1=O ZINC000587353035 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)=C(OC)C1=O ZINC000587353038 KK Annotated Mild COc1ccc(C=C2c3ccccc3C3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)cc1O ZINC000587353043 KK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)cc1O ZINC000587353044 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353045 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(OC)cc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353050 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353054 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)CC1 ZINC000587353055 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(OC)cc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353056 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)CC1 ZINC000587353057 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)CC1 ZINC000587353059 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)CC1 ZINC000587353065 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353106 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353109 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353110 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353116 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587353161 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587353163 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587353166 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c(C)cccc12 ZINC000587353170 KK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353196 KK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353200 KK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353204 KK Annotated Anodyne C[C@]12CC=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353207 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587353289 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587353293 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587353296 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)ccc1O ZINC000587353298 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353376 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353382 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353384 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353386 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1c(O)c1ccccc1c2O ZINC000587353394 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c1c(O)c1ccccc1c2O ZINC000587353398 KK Annotated Anodyne C[C@@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353405 KK Annotated Anodyne C[C@@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353406 KK Annotated Anodyne C[C@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353408 KK Annotated Anodyne C[C@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353409 KK Annotated Anodyne O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587353463 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587353465 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587353466 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587353467 KK Annotated Bother COCOc1ccc([C@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353479 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353480 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587353482 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587353483 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353526 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353528 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353532 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353534 KK Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587353672 KK Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587353676 KK Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587353683 KK Annotated Anodyne CCCN(CCC)CCc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 ZINC000587353686 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587353689 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587353693 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587353697 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587353700 KK Annotated Anodyne CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587353704 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587353707 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587353712 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587353717 KK Annotated Mild CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353721 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353726 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353728 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353730 KK Annotated Anodyne CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353732 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353734 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353736 KK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353739 KK Annotated Mild O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1c(O)c1ccccc1c2O ZINC000587353794 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c1c(O)c1ccccc1c2O ZINC000587353796 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c-2ccc2c1CCCC2(C)C ZINC000587353861 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c-2ccc2c1CCCC2(C)C ZINC000587353866 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c-2ccc2c1CCCC2(C)C ZINC000587353867 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c-2ccc2c1CCCC2(C)C ZINC000587353870 KK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353884 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353886 KK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353890 KK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353892 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587353896 KK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353897 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353898 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353899 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587353900 KK Annotated Anodyne C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353901 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587353902 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587353903 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1OC ZINC000587353913 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1OC ZINC000587353917 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000587353920 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000587353922 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353924 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587353926 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353928 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587353932 KK Annotated Mild COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353938 KK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587353941 KK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353945 KK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587353949 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354000 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354003 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354006 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354009 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587354038 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587354040 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587354041 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587354042 KK Annotated Mild COc1ccc(C2(c3ccc(OC)cc3O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(O)c1 ZINC000587354051 KK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(O)c1 ZINC000587354054 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587354077 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587354080 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587354083 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587354085 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587354142 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587354145 KK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354158 KK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354159 KK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354160 KK Annotated Anodyne O=C(c1ccccc1)c1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354161 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354208 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354210 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354211 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354214 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc4c5ccc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@@H]1c1ccc(F)cc1 ZINC000587354229 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3ccc4c5ccc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@H]1c1ccc(F)cc1 ZINC000587354233 KK Annotated Bother C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)CC1(CC4)OCCO1 ZINC000587354234 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc4c5ccc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@H]1c1ccc(F)cc1 ZINC000587354235 KK Annotated Bother O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3ccc4c5ccc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@@H]1c1ccc(F)cc1 ZINC000587354237 KK Annotated Bother C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)CC1(CC4)OCCO1 ZINC000587354239 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)CC1(CC4)OCCO1 ZINC000587354243 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)CC1(CC4)OCCO1 ZINC000587354245 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587354246 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)[C@H]1c1ccc(F)cc1 ZINC000587354247 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587354248 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc3c(c2)OCO3)(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 ZINC000587354249 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354291 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354295 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354298 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354301 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587354326 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587354328 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587354337 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587354342 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)[C@H]1c1ccc(F)cc1 ZINC000587354344 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)[C@@H]1c1ccc(F)cc1 ZINC000587354346 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354366 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354370 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354373 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1[C@]1(c2c(O)cc(C)cc2O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354375 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354387 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354390 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354396 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354399 KK Annotated Mild CCCCCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587354407 KK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587354413 KK Annotated Anodyne CCCCCc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587354417 KK Annotated Anodyne CCCCCc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O ZINC000587354421 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)cccc1O3)[C@@H]1C=CO[C@@H]1O2 ZINC000587354442 KK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354444 KK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354447 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)cccc1O3)[C@@H]1C=CO[C@H]1O2 ZINC000587354448 KK Annotated Anodyne COc1ccc([C@H](O)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587354450 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)cccc1O3)[C@H]1C=CO[C@@H]1O2 ZINC000587354451 KK Annotated Anodyne COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587354453 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4cc(O)ccc4C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)cccc1O3)[C@H]1C=CO[C@H]1O2 ZINC000587354457 KK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354509 KK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354511 KK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354514 KK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354517 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587354564 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587354567 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587354568 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587354570 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354615 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354619 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354620 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354623 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587354629 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587354630 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587354631 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587354632 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354649 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354650 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354651 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354652 KK Annotated Mild O=C(C(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587354657 KK Annotated Clean O=C(C(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587354658 KK Annotated Clean O=C(C(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587354659 KK Annotated Clean O=C(C(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 ZINC000587354660 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354687 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354688 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354689 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354690 KK Annotated Clean CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354717 KK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354719 KK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354721 KK Annotated Anodyne CCCCOc1ccc2c(c1)Oc1cc(O)ccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354722 KK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354725 KK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354728 KK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354729 KK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354730 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]1C2 ZINC000587354742 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]1C2 ZINC000587354754 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]1C2 ZINC000587354758 KK Annotated Mild COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587354759 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]1C2 ZINC000587354762 KK Annotated Mild COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587354763 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 ZINC000587354767 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 ZINC000587354768 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354780 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354783 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587354786 KK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587354789 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587354790 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587354793 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587354796 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587354799 KK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354842 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354850 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354856 KK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354861 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354925 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354930 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354935 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587354939 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587354944 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587354952 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587354954 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587354959 KK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354962 KK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354966 KK Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354968 KK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587354970 KK Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354972 KK Annotated Anodyne O=C(c1ccccc1)c1cccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587354973 KK Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587354977 KK Annotated Anodyne COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587354981 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587354999 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355004 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355007 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CC2CCCC2)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355010 KK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587355119 KK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587355120 KK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587355123 KK Annotated Anodyne COc1ccc(C2=COc3cc(O)cc(O)c3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587355125 KK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c(C)c1 ZINC000587355127 KK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c(C)c1 ZINC000587355130 KK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000587355132 KK Annotated Anodyne Cc1cc(C)c([C@@H]2C(=O)OC3(CCCC3)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c(C)c1 ZINC000587355135 KK Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355159 KK Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355167 KK Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355172 KK Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355177 KK Annotated Anodyne CCC(=O)O[C@]1([C@@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587355282 KK Annotated Mild Cc1c(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587355283 KK Annotated Anodyne CCC(=O)O[C@]1([C@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587355284 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587355286 KK Annotated Mild Cc1c(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587355287 KK Annotated Anodyne CCC(=O)O[C@]1([C@]2(COC(C)=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587355289 KK Annotated Mild Cc1c(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587355291 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587355293 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355295 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355301 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355305 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355310 KK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355322 KK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355327 KK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355331 KK Annotated Anodyne O=C1c2ccccc2-c2cc3c(cc21)-c1ccccc1[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355337 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355343 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355355 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355357 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355359 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355377 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355379 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355380 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355381 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587355382 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355383 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355384 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587355385 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587355386 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587355388 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(O)cc1O2 ZINC000587355397 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(O)cc1O2 ZINC000587355401 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(O)cc1O2 ZINC000587355403 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(O)cc1O2 ZINC000587355406 KK Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)[C@H]13 ZINC000587355428 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)[C@H]13 ZINC000587355429 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)[C@H]13 ZINC000587355430 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)[C@H]13 ZINC000587355431 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355479 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355483 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355486 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355488 KK Annotated Mild Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355525 KK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355528 KK Annotated Anodyne Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587355531 KK Annotated Anodyne Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587355536 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@]1(C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355571 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@]1(C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355582 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@@]1(C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355586 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@@]1(C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355590 KK Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587355594 KK Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587355600 KK Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587355604 KK Annotated Anodyne CO[C@@H]1C[C@@](O)(C(=O)c2ccccc2C)[C@@H]([C@H](O)[C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587355607 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587355613 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587355615 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587355618 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587355622 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1cc(O)ccc1C(=O)[C@H]5c1ccc(F)cc1 ZINC000587355631 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1cc(O)ccc1C(=O)[C@H]5c1ccc(F)cc1 ZINC000587355635 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355638 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1cc(O)ccc1C(=O)[C@@H]5c1ccc(F)cc1 ZINC000587355639 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355642 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1cc(O)ccc1C(=O)[C@@H]5c1ccc(F)cc1 ZINC000587355643 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355645 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(O)cc2O1 ZINC000587355647 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587355720 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587355721 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587355722 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587355723 KK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355768 KK Annotated Anodyne CCC[C@]1([C@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355769 KK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355770 KK Annotated Anodyne CCC[C@]1([C@@H](Cc2cccc(OC)c2)C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355771 KK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)CO1 ZINC000587355859 KK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)CO1 ZINC000587355860 KK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)CO1 ZINC000587355861 KK Annotated Mild Cc1cccc2c3c(ccc12)C1=C(C(=O)[C@]32Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)CO1 ZINC000587355863 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355867 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355870 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355874 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355877 KK Annotated Clean COC(=O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587355878 KK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587355880 KK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587355882 KK Annotated Anodyne COC(=O)Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1OC2 ZINC000587355884 KK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355910 KK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587355911 KK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355912 KK Annotated Anodyne COc1cc(O)c2c(c1)OC=C(c1ccc(O)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587355913 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C3=O ZINC000587355922 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C3=O ZINC000587355923 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C3=O ZINC000587355924 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C3=O ZINC000587355925 KK Annotated Mild COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587355936 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587355937 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587355938 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587355939 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355942 KK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355943 KK Annotated Clean O=C1c2ccc(O)cc2O[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587355944 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587355945 KK Annotated Clean COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc(OC)c1OC ZINC000587355956 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc(OC)c1OC ZINC000587355957 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc(OC)c1OC ZINC000587355958 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc(OC)c1OC ZINC000587355959 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587355972 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587355973 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587355974 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587355975 KK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356032 KK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356033 KK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356034 KK Annotated Anodyne CCCCCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356035 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356073 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356075 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356077 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356079 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1O ZINC000587356084 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1O ZINC000587356087 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1O ZINC000587356088 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1O ZINC000587356089 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587356090 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 ZINC000587356091 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587356092 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 ZINC000587356093 KK Annotated Mild C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356094 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356095 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356096 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356097 KK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587356108 KK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587356109 KK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C1=C(O2)[C@H](O)Oc2ccccc21 ZINC000587356110 KK Annotated Anodyne Cc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C1=C(O2)[C@@H](O)Oc2ccccc21 ZINC000587356111 KK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587356148 KK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587356149 KK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587356150 KK Annotated Anodyne COc1ccc(OC2=COc3cc(O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587356151 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356158 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356159 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356160 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc3c(c2)OCCO3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356161 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356166 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356167 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356168 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356169 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356186 KK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356187 KK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356188 KK Annotated Mild C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356189 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356232 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356233 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356234 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356235 KK Annotated Mild Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587356260 KK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587356263 KK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587356264 KK Annotated Anodyne Cc1c(C)c2ccc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)c2oc1=O ZINC000587356267 KK Annotated Anodyne C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356283 KK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356285 KK Annotated Bother CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356286 KK Annotated Mild C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356288 KK Annotated Bother C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356289 KK Annotated Bother CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356290 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356293 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356294 KK Annotated Mild C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356317 KK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000587356319 KK Annotated Anodyne Cc1cc(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000587356320 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356321 KK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000587356322 KK Annotated Anodyne Cc1cc(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(C)c(C)c(=O)oc2c1 ZINC000587356324 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356326 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587356329 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356340 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356343 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356346 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356348 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356362 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356364 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356366 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)OC=C(c1ccccc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356368 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@H](c2ccccc2)c2ccccc2O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356430 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@@H](c2ccccc2)c2ccccc2O)(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356431 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@@H](c2ccccc2)c2ccccc2O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356433 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C[C@H](c2ccccc2)c2ccccc2O)(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356436 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587356484 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356488 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587356490 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587356491 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587356492 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356493 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)c(OC)c(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587356495 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587356497 KK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356527 KK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356531 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587356532 KK Annotated Anodyne CCCC[C@H](CC)CC[C@@]1(CC[C@H](CC)CCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356533 KK Annotated Anodyne CCCC[C@H](CC)CCC1(CC[C@@H](CC)CCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356534 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587356535 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587356537 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587356539 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587356566 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587356567 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587356568 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587356569 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587356582 KK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587356583 KK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587356584 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCC3 ZINC000587356585 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587356590 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587356591 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587356592 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587356593 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356610 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356611 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587356612 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356613 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587356628 KK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587356629 KK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587356631 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587356632 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356667 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587356669 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356671 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C=C(c3ccccc3)Oc3c2ccc2ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587356672 KK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587356680 KK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587356682 KK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 ZINC000587356685 KK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 ZINC000587356687 KK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1C ZINC000587356707 KK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1C ZINC000587356708 KK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2c1C ZINC000587356711 KK Annotated Anodyne CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587356712 KK Annotated Anodyne CCOC(=O)c1oc2ccc(CC[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2c1C ZINC000587356713 KK Annotated Anodyne CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587356715 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356768 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587356769 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356771 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587356773 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587356778 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587356782 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587356785 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587356789 KK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cc(OC)c(Cl)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587356816 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(Oc7cc(O)ccc7C(=O)[C@H]6c6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587356833 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(Oc7cc(O)ccc7C(=O)[C@@H]6c6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587356839 KK Annotated Mild C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587356847 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587356850 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@@H](C2CCOCC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587356852 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587356854 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(C(=O)C(Cl)(Cl)Cl)[nH]c3[N+](=O)[O-])nc3c2oc2ccccc23)c1 ZINC000587356866 KK Annotated Bother CC(=O)OC[C@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356872 KK Annotated Mild CC(=O)OC[C@@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587356874 KK Annotated Mild COc1cccc(-c2cc(CCc3c(C)nc4ccc(Br)cc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587356882 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C)CC(=O)O)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587356899 KK Annotated Anodyne COc1cccc(-c2c([C@H](C)CC(=O)O)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587356901 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587356928 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587356932 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587356935 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587356936 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587356938 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)cc(Br)cc2C3)c1 ZINC000587356939 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(Br)c4ccccc4n3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587356941 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587356958 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587356963 KK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587356964 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587356965 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587356968 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587356969 KK Annotated Anodyne COc1cccc(-c2c([C@H]3CCCC[C@H]3C(=O)O)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587356976 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c(Br)c(Br)c4c2CCO4)C3)c1 ZINC000587356995 KK Annotated Anodyne COc1cccc(-c2cc(C(=NNc3ccc(Cl)cc3[N+](=O)[O-])C(=O)Nc3ccccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587357010 KK Annotated Mild O=C1c2cccc3c2C2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587357017 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1Cl ZINC000587357018 KK Annotated Anodyne CCOC(=O)CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC(=O)c1ccc(Br)cc1 ZINC000587357019 KK Annotated Anodyne O=C1c2cccc3c2C2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587357025 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357028 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357031 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357032 KK Annotated Anodyne O=C1Oc2ccccc2C(=O)[C@@H]1C[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357033 KK Annotated Anodyne C[C@H]1COC2=C1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587357035 KK Annotated Anodyne C[C@H]1COC2=C1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587357037 KK Annotated Anodyne C[C@H]1COC2=C1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587357038 KK Annotated Anodyne C[C@H]1COC2=C1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587357039 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(Oc7cc(O)ccc7C(=O)[C@H]6c6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587357046 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(Oc7cc(O)ccc7C(=O)[C@@H]6c6ccc(F)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587357049 KK Annotated Mild COc1cccc(-c2c(CC(=O)O)c(-c3cc(Br)ccc3O)nc3c2oc2ccccc23)c1 ZINC000587357052 KK Annotated Anodyne CC(=O)OC[C@@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357082 KK Annotated Mild CC(=O)OC[C@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357085 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357170 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357173 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357176 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357177 KK Annotated Mild COc1cccc(-c2c(Cc3cccc(Br)c3)c(C(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587357231 KK Annotated Anodyne COc1cccc(-c2cc(/C(Cl)=N/Nc3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587357273 KK Annotated Mild CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587357281 KK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587357283 KK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587357288 KK Annotated Anodyne CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587357291 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(Cl)c(Cl)c([N+](=O)[O-])c4c3OCCO4)nc3c2oc2ccccc23)c1 ZINC000587357302 KK Annotated Bother CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357313 KK Annotated Anodyne COC(=O)C(C)(C)c1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCCl)cc1 ZINC000587357314 KK Annotated Reactive CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357315 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357317 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357318 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357327 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357334 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357335 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357337 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4COc5ccc(Br)cc5C4)c3)nc3c2oc2ccccc23)c1 ZINC000587357342 KK Annotated Anodyne COc1cccc(-c2c(CCc3ccc(Br)cc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587357348 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587357351 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587357353 KK Annotated Bother Cc1c(O[C@H](C)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587357354 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587357355 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(CC(=O)O)=C(c2ccc(Br)cc2)C3)c1 ZINC000587357381 KK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357408 KK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357409 KK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587357410 KK Annotated Anodyne CC1=C(c2ccccc2)Oc2c(C(=O)O)cccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587357412 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357415 KK Annotated Reactive COc1cccc(-c2cc(-c3cc4c(Br)ccc(OC)c4o3)nc3c2oc2ccccc23)c1 ZINC000587357434 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587357445 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3ccc(Cl)cc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587357446 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc4cc(Br)cc(OC)c4o3)nc3c2oc2ccccc23)c1 ZINC000587357447 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357457 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357458 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357459 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357460 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)ccc4c3)c(C)ccc2c1 ZINC000587357483 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)ccc4c3)c(C)ccc2c1 ZINC000587357484 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)Oc6cc(O)ccc6C(=O)[C@@H]5c5ccc(F)cc5)ccc4c3)c(C)ccc2c1 ZINC000587357485 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)Oc6cc(O)ccc6C(=O)[C@H]5c5ccc(F)cc5)ccc4c3)c(C)ccc2c1 ZINC000587357486 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357491 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357492 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587357493 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587357494 KK Annotated Anodyne CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357510 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357516 KK Annotated Mild C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@]1(C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357566 KK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357571 KK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@]1(C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357573 KK Annotated Anodyne C[C@@]12C=Cc3occc3[C@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@]1(C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357576 KK Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)C[C@](C)(O)C3 ZINC000587357585 KK Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C(=O)C[C@](C)(O)C3 ZINC000587357587 KK Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)C[C@](C)(O)C3 ZINC000587357589 KK Annotated Anodyne COc1cccc2c1C(=O)c1ccc3c(c1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C(=O)C[C@](C)(O)C3 ZINC000587357590 KK Annotated Anodyne CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587357619 KK Annotated Anodyne COc1cccc(-c2cc(C(Cc3ccc(Cl)cc3)(Cc3ccc(Cl)cc3)C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587357627 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(cc3Br)NC(=O)CO4)nc3c2oc2ccccc23)c1 ZINC000587357635 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)ccc3NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587357646 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](C(=O)O)(c2ccc(Br)cc2)C3)c1 ZINC000587357654 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](C(=O)O)(c2ccc(Br)cc2)C3)c1 ZINC000587357657 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587357669 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587357674 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587357678 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587357679 KK Annotated Anodyne COc1cccc(-c2cc(-c3cnc4ccc(Br)cc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587357681 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1O ZINC000587357702 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1O ZINC000587357704 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1O ZINC000587357707 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1O ZINC000587357708 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(c3ccc4ccccc4c3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587357709 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C(Cl)=C[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(OC(C)=O)C(C)=O)[C@@]2(C)[C@H]3CCl)c1 ZINC000587357712 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(c3ccc4ccccc4c3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587357713 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3ccc(C(C)C)cc3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357714 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3ccc4ccccc4c3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587357715 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc4ccccc4c3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587357716 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3ccc(C(C)C)cc3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357717 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587357719 KK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587357720 KK Annotated Anodyne Cc1cc(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587357721 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587357723 KK Annotated Anodyne COc1cccc(-c2cc(-c3nc(Br)cnc3Br)nc3c2oc2ccccc23)c1 ZINC000587357732 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587357751 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587357752 KK Annotated Anodyne COC(=O)/C(=C/c1cccc(Cl)c1Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357753 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1c1ccc(F)cc1 ZINC000587357754 KK Annotated Anodyne COC(=O)/C(=C\c1cccc(Cl)c1Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587357755 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(C[C@H](CCc2ccccc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1c1ccc(F)cc1 ZINC000587357757 KK Annotated Anodyne COc1cc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3O2)cc(OC)c1OC ZINC000587357768 KK Annotated Anodyne COc1cc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3O2)cc(OC)c1OC ZINC000587357769 KK Annotated Anodyne COc1cc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3O2)cc(OC)c1OC ZINC000587357771 KK Annotated Anodyne COc1cc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3O2)cc(OC)c1OC ZINC000587357772 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357793 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357795 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357797 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357798 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357800 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357801 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587357802 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587357805 KK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587357821 KK Annotated Anodyne Cc1c(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587357822 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(Br)cc(Br)c2CC3)c1 ZINC000587357823 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357826 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587357827 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(Br)c(OC)ccc4c3)nc3c2oc2ccccc23)c1 ZINC000587357862 KK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587357953 KK Annotated Anodyne Cc1c(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c3c(c(=O)oc12)CCC3 ZINC000587357954 KK Annotated Anodyne COc1cccc(-c2cc(COc3ccc4cc(Br)ccc4c3)nc3c2oc2ccccc23)c1 ZINC000587357965 KK Annotated Anodyne COc1cccc(-c2cc(CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)nc3c2oc2ccccc23)c1 ZINC000587357980 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587357984 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587357986 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587357987 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587357989 KK Annotated Anodyne COc1cccc(-c2c([C@H](C)C(=O)O)c(-c3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358030 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587358036 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C)C(=O)O)c(-c3cccc(Br)c3)nc3c2oc2ccccc23)c1 ZINC000587358037 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587358039 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](NC(=O)Nc2cc(Cl)ccc2Cl)C3)c1 ZINC000587358042 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587358043 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587358045 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](NC(=O)Nc2cc(Cl)ccc2Cl)C3)c1 ZINC000587358046 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587358094 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587358101 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587358104 KK Annotated Reactive CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587358106 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587358107 KK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587358110 KK Annotated Reactive CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587358112 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)C[C@H](NC(=O)OC(C)(C)C)C3)c1 ZINC000587358113 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3cc(O)c4c5c(O)cc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@@H]1c1ccc(F)cc1 ZINC000587358117 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@]2(c3ccccc3-c3cc(O)c4c5c(O)cc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@H]1c1ccc(F)cc1 ZINC000587358124 KK Annotated Bother COc1cccc(-c2c([C@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587358125 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358126 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3cccc(Cl)c3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587358127 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358128 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3cc(O)c4c5c(O)cc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@H]1c1ccc(F)cc1 ZINC000587358129 KK Annotated Bother CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358131 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(CBr)CC[C@H]3[C@]2(C)CBr)c1 ZINC000587358132 KK Annotated Reactive CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358134 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3-c3cc(O)c4c5c(O)cc6c7ccccc7c(=O)c7ccc(c8ccc2c3c84)c5c76)[C@@H]1c1ccc(F)cc1 ZINC000587358135 KK Annotated Bother COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587358157 KK Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358170 KK Annotated Anodyne COc1cccc(-c2cc(-c3nnn(Cc4ccc(Br)cc4)c3C)nc3c2oc2ccccc23)c1 ZINC000587358173 KK Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358175 KK Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358181 KK Annotated Anodyne CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358185 KK Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358189 KK Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358199 KK Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358202 KK Annotated Anodyne C[C@]1([C@H](O)[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358205 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)[C@H]1c1ccc(F)cc1 ZINC000587358215 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)[C@@H]1c1ccc(F)cc1 ZINC000587358219 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)[C@H]1c1ccc(F)cc1 ZINC000587358223 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)[C@@H]1c1ccc(F)cc1 ZINC000587358225 KK Annotated Unstable CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587358226 KK Annotated Anodyne COC(=O)Cc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358228 KK Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587358229 KK Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]([C@@H](O)C(=O)c2ccccc2C)O1 ZINC000587358233 KK Annotated Anodyne CO[C@@H]1C[C@@](O)([C@]2(c3ccccc3C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]([C@H](O)C(=O)c2ccccc2C)O1 ZINC000587358236 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587358238 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c(o3)C(=O)C(Br)=CC4=O)nc3c2oc2ccccc23)c1 ZINC000587358239 KK Annotated Mild COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587358242 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587358246 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587358252 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3ccc(C)cc3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587358264 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3ccc(C)cc3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587358267 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)Cl ZINC000587358268 KK Annotated Unstable CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358272 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1S(=O)(=O)Cl ZINC000587358273 KK Annotated Unstable COc1ccc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)Cl ZINC000587358275 KK Annotated Unstable Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358276 KK Annotated Bother COc1ccc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1S(=O)(=O)Cl ZINC000587358277 KK Annotated Unstable Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358280 KK Annotated Bother CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358281 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358283 KK Annotated Bother Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358289 KK Annotated Bother Cc1coc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587358313 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587358317 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587358319 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587358321 KK Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358326 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358338 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358344 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358346 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358348 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358349 KK Annotated Anodyne COc1cccc(-c2cc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587358351 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358352 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358353 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)CC[C@H]32)C1 ZINC000587358355 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000587358385 KK Annotated Reactive O=C1c2ccc(O)cc2OC(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000587358389 KK Annotated Reactive COc1cccc(-c2cc(-c3c(-c4ccccc4)c4cc(Cl)ccc4n(C)c3=O)nc3c2oc2ccccc23)c1 ZINC000587358414 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)C(C)(C)[C@H]2CC[C@]13C ZINC000587358418 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)C(C)(C)[C@H]2CC[C@]13C ZINC000587358420 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)C(C)(C)[C@@H]2CC[C@]13C ZINC000587358423 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)C(C)(C)[C@@H]2CC[C@]13C ZINC000587358424 KK Annotated Anodyne COc1cccc(-c2c(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)nc3c2oc2ccccc23)c1 ZINC000587358428 KK Annotated Mild COc1cccc(-c2c(CCCCc3nc4ccccc4[nH]3)c(C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587358466 KK Annotated Anodyne COc1cccc(-c2cc(-c3cnn(-c4ccc(C(F)(F)F)cn4)c3C)nc3c2oc2ccccc23)c1 ZINC000587358474 KK Annotated Anodyne CCCCCCCCCC1(CCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358483 KK Annotated Mild CCCCCCCCCC1(CCCCCCCCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358485 KK Annotated Mild COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587358561 KK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358562 KK Annotated Mild CCOC(=O)c1[nH]c2c(c1Br)CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358563 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587358565 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587358568 KK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358569 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358570 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358571 KK Annotated Mild COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587358573 KK Annotated Anodyne COc1cccc(-c2c(C)c(-c3cc(Br)cc([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587358606 KK Annotated Bother COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358614 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358625 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000587358627 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587358637 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587358641 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H](c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587358642 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587358647 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587358649 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)C1=O ZINC000587358679 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)C1=O ZINC000587358684 KK Annotated Mild COC(=O)c1ccc(F)c(-c2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)c1 ZINC000587358685 KK Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]2CCC(=O)C=C12 ZINC000587358686 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(OCC(=O)N(c4ccccc4)C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587358687 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)C1=O ZINC000587358691 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]2CCC(=O)C=C12 ZINC000587358692 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(Br)c(C)n(-c4ccc(C)cc4)c2CC3)c1 ZINC000587358693 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)C1=O ZINC000587358695 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]2CCC(=O)C=C12 ZINC000587358696 KK Annotated Mild COc1cccc(-c2c(CCC3OCC(C)(C)CO3)c(-c3ccccc3F)nc3c2oc2ccccc23)c1 ZINC000587358698 KK Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]2CCC(=O)C=C12 ZINC000587358700 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc3c2oc2ccccc23)c1 ZINC000587358701 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2CCCc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587358713 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@H]2CCCc3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC000587358722 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@@H]2CCCc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587358728 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccccc3OC(=O)[C@@H]2[C@H]2CCCc3ccccc32)[C@H]1c1ccc(F)cc1 ZINC000587358733 KK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C3=O ZINC000587358738 KK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)C3=O ZINC000587358746 KK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C3=O ZINC000587358752 KK Annotated Anodyne Cc1cccc2c3c(ccc12)C1=C([C@@H](C)CO1)[C@@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)C3=O ZINC000587358757 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)c1 ZINC000587358766 KK Annotated Anodyne COc1cccc(-c2c(CCCC3OCCO3)c(CNC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587358771 KK Annotated Anodyne COc1cccc(-c2c(Cc3c(C)nc4ccc(Br)cc4c3Cl)c(C)nc3c2oc2ccccc23)c1 ZINC000587358784 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@](c2ccccc2Cl)(N(C)C(=O)CCl)CCC3)c1 ZINC000587358788 KK Annotated Reactive COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@](c2ccccc2Cl)(N(C)C(=O)CCl)CCC3)c1 ZINC000587358793 KK Annotated Reactive COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358827 KK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358831 KK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358835 KK Annotated Anodyne COc1cc2c(cc1O)OC=C(c1ccc(O)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358839 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358864 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358879 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587358881 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587358888 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587358889 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(OCc4ccc(F)cc4)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587358891 KK Annotated Bother CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587358893 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4cccc(Br)c4)cc3)nc3c2oc2ccccc23)c1 ZINC000587358894 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587358898 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1=O ZINC000587358899 KK Annotated Mild CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358900 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587358901 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587358903 KK Annotated Mild CCOC(=O)C1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587358905 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1=O ZINC000587358908 KK Annotated Mild COc1cccc(-c2c(Cc3ccc(Br)cc3)c(C(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587358928 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358941 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358943 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587358946 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587358949 KK Annotated Anodyne COC(=O)[C@@]1(c2ccc(Br)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587358961 KK Annotated Anodyne COC(=O)[C@]1(c2ccc(Br)cc2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587358970 KK Annotated Anodyne CCCCOc1ccc(C=Nc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587358976 KK Annotated Mild Cc1c(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587358980 KK Annotated Bother Cc1c(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587358981 KK Annotated Bother Cc1c(OC[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587358983 KK Annotated Bother Cc1c(OC[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc2c1oc(=O)c1ccccc12 ZINC000587358986 KK Annotated Bother COc1cc(O)cc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587358993 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358995 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587358998 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587358999 KK Annotated Anodyne C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359000 KK Annotated Unstable COc1cc(O)cc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587359004 KK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587359006 KK Annotated Anodyne COc1cccc(-c2cc(-c3cn(Cc4ccc(Cl)cc4Cl)nn3)nc3c2oc2ccccc23)c1 ZINC000587359009 KK Annotated Anodyne C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359010 KK Annotated Unstable COc1cccc(-c2cc(-c3nnn(-c4cccc(Br)c4)c3C)nc3c2oc2ccccc23)c1 ZINC000587359015 KK Annotated Anodyne C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359016 KK Annotated Unstable C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359017 KK Annotated Unstable CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587359071 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587359075 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587359077 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 ZINC000587359080 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccc(S(C)(=O)=O)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 ZINC000587359081 KK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359083 KK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359085 KK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359086 KK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587359087 KK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2ccc(Cl)c(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359088 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359113 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359125 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359127 KK Annotated Mild CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359129 KK Annotated Unstable CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359130 KK Annotated Mild CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359135 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359137 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359140 KK Annotated Unstable COc1cccc(-c2cc(/C=C/c3ccccc3Oc3ccc(Cl)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587359155 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3ccc(S(=O)(=O)Cl)cc3CC[C@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587359160 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(c3ccc(S(=O)(=O)Cl)cc3CC[C@@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587359162 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(c3ccc(S(=O)(=O)Cl)cc3CC[C@H]2Cl)[C@H]1c1ccc(F)cc1 ZINC000587359164 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@]2(c3ccc(S(=O)(=O)Cl)cc3CC[C@@H]2Cl)[C@@H]1c1ccc(F)cc1 ZINC000587359166 KK Annotated Unstable COc1cccc(-c2cc(-c3cccc(OCc4c(F)cccc4Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587359237 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4cc(Br)ccc4n2C)CC3)c1 ZINC000587359242 KK Annotated Clean COc1cccc(-c2cc(-c3cnc(Nc4cccc(C(F)(F)F)c4)s3)nc3c2oc2ccccc23)c1 ZINC000587359249 KK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c12 ZINC000587359251 KK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c12 ZINC000587359254 KK Annotated Anodyne CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359255 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587359262 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587359265 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Cl)cc(CN4CCN(C(C)=O)CC4)c3O)nc3c2oc2ccccc23)c1 ZINC000587359269 KK Annotated Clean COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587359271 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)C2=O)cc1 ZINC000587359273 KK Annotated Anodyne C[C@H]1COC2=C1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c2ccc2c1CCCC2(C)C ZINC000587359278 KK Annotated Mild CCOc1ccc(-c2c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c(O)nc3ccc(Cl)cc23)cc1 ZINC000587359281 KK Annotated Anodyne C[C@H]1COC2=C1C(=O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c2ccc2c1CCCC2(C)C ZINC000587359283 KK Annotated Mild C[C@H]1COC2=C1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c2ccc2c1CCCC2(C)C ZINC000587359286 KK Annotated Mild C[C@H]1COC2=C1C(=O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c2ccc2c1CCCC2(C)C ZINC000587359288 KK Annotated Mild COc1cccc(-c2cc(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587359308 KK Annotated Mild O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@]41Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359310 KK Annotated Bother O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@]41Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359314 KK Annotated Bother O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@@]41Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359317 KK Annotated Bother CCOC(=O)[C@H](Cc1c(F)cccc1Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587359318 KK Annotated Anodyne O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@@]41Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359321 KK Annotated Bother CCOC(=O)[C@@H](Cc1c(F)cccc1Cl)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587359327 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccc(Br)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587359331 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359369 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359373 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359380 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359383 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359387 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)C[C@H](CCl)[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587359393 KK Annotated Reactive COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359395 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359399 KK Annotated Anodyne COC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359404 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587359409 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587359417 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587359419 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587359424 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@@]1(Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587359426 KK Annotated Anodyne COC1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000587359427 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587359430 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587359432 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@@]1(Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587359439 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)C(=O)CC3)c1 ZINC000587359441 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)C(=O)CC3)c1 ZINC000587359450 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)nc4ccc(Br)cc4c3-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587359467 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587359469 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587359472 KK Annotated Anodyne COC(=O)C([C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587359473 KK Annotated Unstable COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587359478 KK Annotated Anodyne COC(=O)C([C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587359481 KK Annotated Unstable COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587359483 KK Annotated Anodyne COC(=O)C([C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587359489 KK Annotated Unstable COC(=O)C([C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587359491 KK Annotated Unstable COc1cccc(-c2c(CCc3ccccc3)c(Cc3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587359503 KK Annotated Anodyne COc1cccc(-c2c(C3C(=O)CC(C)(C)CC3=O)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587359534 KK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359536 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359543 KK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3cc(Br)ccc3OC)nc3c2oc2ccccc23)c1 ZINC000587359546 KK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359550 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccc4ccccc4c3O2)cc1OC ZINC000587359555 KK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359557 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359558 KK Annotated Anodyne C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359561 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccc4ccccc4c3O2)cc1OC ZINC000587359564 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)[C@@H]1CC3 ZINC000587359565 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359566 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)[C@@H]1CC3 ZINC000587359568 KK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4cc(OC)c(OC)cc4N/C3=C/Cl)nc3c2oc2ccccc23)c1 ZINC000587359569 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccc4ccccc4c3O2)cc1OC ZINC000587359571 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359572 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)[C@@H]1CC3 ZINC000587359574 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccc4ccccc4c3O2)cc1OC ZINC000587359576 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)[C@@H]1CC3 ZINC000587359578 KK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4cc(OC)c(OC)cc4N/C3=C\Cl)nc3c2oc2ccccc23)c1 ZINC000587359582 KK Annotated Anodyne COC(=O)[C@@]1(c2cccc(Br)c2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587359597 KK Annotated Anodyne COC(=O)[C@]1(c2cccc(Br)c2)CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587359600 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc4cc(OC)cc(Br)c4o3)nc3c2oc2ccccc23)c1 ZINC000587359603 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587359604 KK Annotated Reactive CC(C)(C)c1ccc([C@H](O)[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359606 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587359608 KK Annotated Reactive C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359610 KK Annotated Mild CC(C)(C)c1ccc([C@H](O)[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359613 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359614 KK Annotated Mild CC(C)(C)c1ccc([C@H](O)[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359615 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587359616 KK Annotated Reactive CC(C)(C)c1ccc([C@H](O)[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359619 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587359620 KK Annotated Reactive C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359621 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359624 KK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359627 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359631 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359636 KK Annotated Mild CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359637 KK Annotated Anodyne C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)[C@@]1(CO)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359639 KK Annotated Mild Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359662 KK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359663 KK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)nc4ccc(OC)cc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587359664 KK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359665 KK Annotated Anodyne Cc1ccc2c(c1C)Oc1c(CC(=O)O)cccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359666 KK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359668 KK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359681 KK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587359683 KK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587359684 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc4ccccc4cc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587359693 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc4ccccc4cc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587359694 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3cc4ccccc4cc3Oc3cc(O)cc(O)c32)[C@@H]1c1ccc(F)cc1 ZINC000587359695 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3cc4ccccc4cc3Oc3cc(O)cc(O)c32)[C@H]1c1ccc(F)cc1 ZINC000587359702 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC(F)(F)F ZINC000587359709 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359738 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(CCC(=O)OCc4ccccc4)c3F)nc3c2oc2ccccc23)c1 ZINC000587359739 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359741 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587359742 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587359743 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(Br)cc3F)c(C(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587359754 KK Annotated Anodyne COC(=O)c1cc(-c2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)ccc1F ZINC000587359846 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359872 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587359878 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359880 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587359882 KK Annotated Anodyne CCCc1c(-c2ccc(Cl)c(Br)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587359903 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1OC ZINC000587359933 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000587359936 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000587359939 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1OC ZINC000587359944 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc3c2oc2ccccc23)c1 ZINC000587359964 KK Annotated Reactive COc1cccc(-c2cc([C@H](Br)Cc3ccc(F)c(F)c3F)nc3c2oc2ccccc23)c1 ZINC000587359967 KK Annotated Reactive COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccc(O)cc3O2)cc1O ZINC000587359985 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccc(O)cc3O2)cc1O ZINC000587359987 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccc(O)cc3O2)cc1O ZINC000587359989 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccc(O)cc3O2)cc1O ZINC000587359993 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360021 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360022 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587360023 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587360025 KK Annotated Reactive O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)Oc2ccccc21 ZINC000587360030 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)Oc2ccccc21 ZINC000587360037 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)Oc2ccccc21 ZINC000587360040 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)Oc2ccccc21 ZINC000587360044 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C(Cl)=C[C@H]4[C@@H]5CC[C@](OC(C)=O)(C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587360048 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(O)ccc(O)c1O2 ZINC000587360058 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(O)ccc(O)c1O2 ZINC000587360061 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)ccc(O)c1O2 ZINC000587360062 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)ccc(O)c1O2 ZINC000587360063 KK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360067 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]2(C)C3)c1 ZINC000587360073 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCOC3=CC4=O ZINC000587360089 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(OC)c(-c4cccc(C(F)(F)F)c4)c3)nc3c2oc2ccccc23)c1 ZINC000587360090 KK Annotated Anodyne COc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)c4)nn3)nc3c2oc2ccccc23)c1 ZINC000587360092 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCOC3=CC4=O ZINC000587360093 KK Annotated Mild COc1cccc(-c2c(C)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc3c2oc2ccccc23)c1 ZINC000587360100 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](C[C@@H](Br)C5=CC(=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587360107 KK Annotated Reactive CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360125 KK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3c(Br)cccc3OC(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360131 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)[C@@H]7C[C@@H]7[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587360156 KK Annotated Mild COc1cccc(-c2c(Cc3c(C)nc4ccc(OC)cc4c3Cl)c(C)nc3c2oc2ccccc23)c1 ZINC000587360159 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(OC)ccc(I)c2C3)c1 ZINC000587360171 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4c(C)cc(C)cc4C)cc3F)nc3c2oc2ccccc23)c1 ZINC000587360176 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C3)c1 ZINC000587360187 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C3)c1 ZINC000587360188 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(I)cc3)c(C)nc3c2oc2ccccc23)c1 ZINC000587360194 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360197 KK Annotated Bother COc1cccc(-c2cc(CCc3ccc(I)cc3)nc3c2oc2ccccc23)c1 ZINC000587360201 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccc(F)cc4Br)cc3)nc3c2oc2ccccc23)c1 ZINC000587360206 KK Annotated Anodyne COC(=O)c1ccc(F)c(-c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)c1 ZINC000587360216 KK Annotated Anodyne COc1cccc(-c2c(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360221 KK Annotated Anodyne COc1cccc(-c2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360224 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1)OCOC3=CC4=O ZINC000587360234 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1)OCOC3=CC4=O ZINC000587360237 KK Annotated Mild COc1cccc(-c2cc(Cc3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)nc3c2oc2ccccc23)c1 ZINC000587360238 KK Annotated Bother CS(=O)(=O)c1cccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587360251 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587360256 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587360257 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587360261 KK Annotated Anodyne COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360278 KK Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360282 KK Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587360283 KK Annotated Clean COC1=C(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587360286 KK Annotated Clean CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360289 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360295 KK Annotated Unstable COc1cccc(-c2cc(-c3ccc(OCc4ccc(F)cc4)c4nc(O)ccc34)nc3c2oc2ccccc23)c1 ZINC000587360296 KK Annotated Anodyne COC(=O)c1cc(F)cc(-c2ccccc2-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587360298 KK Annotated Anodyne CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360305 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360307 KK Annotated Unstable COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)OCC2 ZINC000587360316 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)OCC2 ZINC000587360317 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)OCC2 ZINC000587360319 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)OCC2 ZINC000587360320 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)c4c(Br)cnn4C)cc3)nc3c2oc2ccccc23)c1 ZINC000587360325 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3O2)cc1OC ZINC000587360327 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3O2)cc1OC ZINC000587360330 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3O2)cc1OC ZINC000587360331 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3O2)cc1OC ZINC000587360332 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3cc4oc(=O)c(C)c(C)c4cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587360353 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3cc4oc(=O)c(C)c(C)c4cc3Cl)nc3c2oc2ccccc23)c1 ZINC000587360356 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)[C@H]1c1ccc(F)cc1 ZINC000587360357 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)[C@H]1c1ccc(F)cc1 ZINC000587360363 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)[C@@H]1c1ccc(F)cc1 ZINC000587360364 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2S(=O)(=O)Cl)[C@@H]1c1ccc(F)cc1 ZINC000587360366 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587360375 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587360377 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587360379 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587360380 KK Annotated Unstable COc1cccc(-c2cc(-c3ccc(-c4ccc(C(F)(F)F)cc4)s3)nc3c2oc2ccccc23)c1 ZINC000587360404 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(C)n(-c4cccc(C(F)(F)F)c4)c2CC3)c1 ZINC000587360441 KK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587360472 KK Annotated Reactive COc1cccc(-c2cc(-c3ccc(OCc4ccccc4C(F)(F)F)c4nc(O)ccc34)nc3c2oc2ccccc23)c1 ZINC000587360533 KK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587360541 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)CC3)c1 ZINC000587360543 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)CC3)c1 ZINC000587360544 KK Annotated Bother COc1cccc(-c2c(C)c(-c3cc(Br)ccc3OC(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360554 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(C)=O)[C@@]5(C)CC(=O)[C@]4(F)[C@@]2(C)C3)c1 ZINC000587360559 KK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)nc4c(Cl)cccc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587360561 KK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360562 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(OC)c(I)cc2C3)c1 ZINC000587360600 KK Annotated Anodyne COC(=O)c1cc(I)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)[nH]1 ZINC000587360601 KK Annotated Anodyne COc1cccc(-c2c(C[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(CNc3c(O)ccc(C(=O)O)c3O)nc3c2oc2ccccc23)c1 ZINC000587360602 KK Annotated Mild COc1cccc(-c2c(C[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(CNc3c(O)ccc(C(=O)O)c3O)nc3c2oc2ccccc23)c1 ZINC000587360603 KK Annotated Mild COc1cccc(-c2c(C[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(CNc3c(O)ccc(C(=O)O)c3O)nc3c2oc2ccccc23)c1 ZINC000587360604 KK Annotated Mild COc1cccc(-c2c(C[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(CNc3c(O)ccc(C(=O)O)c3O)nc3c2oc2ccccc23)c1 ZINC000587360605 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccc(OC)c(I)c2CC3)c1 ZINC000587360606 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)nc4ccc(F)cc4c3-c3ccc(F)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360609 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000587360614 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000587360615 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000587360616 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000587360617 KK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587360618 KK Annotated Clean COc1cccc(-c2cc(-c3ccc(OCc4cc(OC)ccc4Br)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587360619 KK Annotated Anodyne COC(=O)c1ccc(-c2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)c(F)c1 ZINC000587360682 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)c(OC)nc3C)nc3c2oc2ccccc23)c1 ZINC000587360684 KK Annotated Anodyne COc1cccc(-c2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360688 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(I)ccc2OCC3)c1 ZINC000587360704 KK Annotated Anodyne COc1cccc(-c2cc(CCN(Cc3ccccc3)C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587360710 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)c(Cl)nc3C)nc3c2oc2ccccc23)c1 ZINC000587360721 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](Br)Cc3cccc(Cl)c3F)nc3c2oc2ccccc23)c1 ZINC000587360723 KK Annotated Reactive COc1cccc(-c2cc([C@H](Br)Cc3cccc(Cl)c3F)nc3c2oc2ccccc23)c1 ZINC000587360725 KK Annotated Reactive CCOC(=O)Cc1c(-c2ccccc2Br)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360736 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360746 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360748 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360751 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360752 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360753 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360754 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587360755 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587360756 KK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587360758 KK Annotated Mild COc1cccc(-c2c(CCN3C(=O)c4ccccc4C3=O)c(CBr)nc3c2oc2ccccc23)c1 ZINC000587360760 KK Annotated Reactive COC(=O)c1ccc(-c2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)cc1F ZINC000587360761 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3c(O)cc(O)cc3Oc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587360769 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3c(O)cc(O)cc3Oc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587360770 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(c3c(O)cc(O)cc3Oc3ccc4ccccc4c32)[C@@H]1c1ccc(F)cc1 ZINC000587360771 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(c3c(O)cc(O)cc3Oc3ccc4ccccc4c32)[C@H]1c1ccc(F)cc1 ZINC000587360772 KK Annotated Anodyne CCOC(=O)c1cnc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2c1Cl ZINC000587360813 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587360819 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587360824 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1 ZINC000587360826 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1 ZINC000587360829 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(Cl)=C2CC[C@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587360838 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587360847 KK Annotated Anodyne COc1cccc(-c2cc(CCc3c(C)nc4ccc(C(=O)O)cc4c3Cl)nc3c2oc2ccccc23)c1 ZINC000587360883 KK Annotated Anodyne CCCCCCc1c(-c2cc3c(Br)sc(Br)c3s2)nc2cccc3c2c1CC3 ZINC000587360884 KK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360890 KK Annotated Mild COc1cccc(-c2cc(-c3cn(Cc4ccc(Cl)nc4)c4ccccc34)nc3c2oc2ccccc23)c1 ZINC000587360920 KK Annotated Anodyne COc1cccc(-c2c(C)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587360921 KK Annotated Mild COc1cccc(-c2c(CC3CCCC3)c(-c3ccc(OC(F)(F)F)cc3)nc3c2oc2ccccc23)c1 ZINC000587360931 KK Annotated Anodyne CCOc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1I ZINC000587360978 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)cc(C)c3N)nc3c2oc2ccccc23)c1 ZINC000587361006 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587361011 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587361012 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587361014 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccc(OCC(=O)O)cc1O2 ZINC000587361015 KK Annotated Anodyne COc1cccc(-c2cc(Cc3nc(=NC(=O)c4ccc(F)cc4)s[nH]3)nc3c2oc2ccccc23)c1 ZINC000587361036 KK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(I)cc3)nc3c2oc2ccccc23)c1 ZINC000587361042 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1F ZINC000587361050 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587361058 KK Annotated Anodyne CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1 ZINC000587361063 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361078 KK Annotated Anodyne COc1cccc(-c2cc(/C=C/c3ccccc3Oc3ccc(Br)cc3F)nc3c2oc2ccccc23)c1 ZINC000587361087 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361088 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc(Br)c3N)nc3c2oc2ccccc23)c1 ZINC000587361089 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(I)cc(C)c3NC(=O)C(F)(F)F)nc3c2oc2ccccc23)c1 ZINC000587361092 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361094 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361095 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361112 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361115 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587361116 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361117 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587361119 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361120 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3cccc(F)c3)c(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587361121 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587361122 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587361126 KK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361130 KK Annotated Anodyne C[C@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361132 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587361133 KK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361135 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(I)c3)nc3c2oc2ccccc23)c1 ZINC000587361136 KK Annotated Anodyne C[C@@]1(CCS(=O)(=O)c2cc(Cl)ccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361137 KK Annotated Anodyne COc1cccc(-c2cc(CC(=O)N(C(=O)CC(C)=O)c3ccccc3C)nc3c2oc2ccccc23)c1 ZINC000587361141 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC=C5C[C@@H](OC(C)=O)CC[C@@]54CI)[C@@H]2C3)c1 ZINC000587361158 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(-c4ccccc4)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587361159 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(C(Oc3ccc(-c4ccccc4)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587361161 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(-c4ccccc4)cc3)=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 ZINC000587361163 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](Br)Cc3ccc(Cl)cc3F)nc3c2oc2ccccc23)c1 ZINC000587361165 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@]2(C(Oc3ccc(-c4ccccc4)cc3)=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 ZINC000587361166 KK Annotated Anodyne COc1cccc(-c2cc([C@H](Br)Cc3ccc(Cl)cc3F)nc3c2oc2ccccc23)c1 ZINC000587361167 KK Annotated Reactive CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](c2cnc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587361169 KK Annotated Mild COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361230 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361232 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4c(F)cccc4Cl)cc3)nc3c2oc2ccccc23)c1 ZINC000587361270 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)c2cccc(C(F)(F)F)c2)CCC3)c1 ZINC000587361297 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-n4nc(C)c(Br)c4C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361299 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)c2cccc(C(F)(F)F)c2)CCC3)c1 ZINC000587361300 KK Annotated Anodyne CCOc1ccc(/C=C/c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1Br ZINC000587361308 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361310 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)c(F)c1 ZINC000587361322 KK Annotated Anodyne COc1cccc(-c2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361326 KK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(Nc4ccccc4C(F)(F)F)s3)nc3c2oc2ccccc23)c1 ZINC000587361327 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(F)c(F)c3)nc3c2oc2ccccc23)c1 ZINC000587361336 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587361340 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361359 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3)nc3c2oc2ccccc23)c1 ZINC000587361361 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361362 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361364 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587361365 KK Annotated Anodyne COc1cccc(-c2cc(-c3c[nH]c4cccc(I)c34)nc3c2oc2ccccc23)c1 ZINC000587361381 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)nc4ccc(Cl)cc4c3-c3ccc(F)cc3)nc3c2oc2ccccc23)c1 ZINC000587361400 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361402 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361403 KK Annotated Anodyne O=C1c2c3cccc2C2(Oc4cc(O)ccc4C(=O)[C@@H]2c2ccc(F)cc2)c2cccc(c21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587361412 KK Annotated Anodyne O=C1c2c3cccc2C2(Oc4cc(O)ccc4C(=O)[C@H]2c2ccc(F)cc2)c2cccc(c21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587361413 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361433 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361434 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361435 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587361437 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587361438 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587361439 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587361441 KK Annotated Anodyne C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361444 KK Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361445 KK Annotated Unstable C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361446 KK Annotated Unstable C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361449 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)[C@H]1c1ccc(F)cc1 ZINC000587361457 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)[C@H]1c1ccc(F)cc1 ZINC000587361459 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(c2ccccc2OC[C@@H]2CO2)[C@@H]1c1ccc(F)cc1 ZINC000587361461 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCc2ccccc2)(c2ccccc2OC[C@H]2CO2)[C@@H]1c1ccc(F)cc1 ZINC000587361463 KK Annotated Anodyne COc1c(O)cc2c(c1O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587361480 KK Annotated Anodyne COc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587361481 KK Annotated Anodyne COc1c(O)cc2c(c1O)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587361483 KK Annotated Anodyne COc1c(O)cc2c(c1O)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(c1ccc(O)cc1)=CO2 ZINC000587361486 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361494 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361496 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361498 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361501 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361502 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361503 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587361504 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587361505 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587361511 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587361513 KK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587361515 KK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587361518 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361540 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361541 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361542 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361544 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(c3cc(S(=O)(=O)Cl)ccc3-c3ccc(S(=O)(=O)Cl)cc32)[C@@H]1c1ccc(F)cc1 ZINC000587361570 KK Annotated Unstable O=C1c2ccc(O)cc2OC2(c3cc(S(=O)(=O)Cl)ccc3-c3ccc(S(=O)(=O)Cl)cc32)[C@H]1c1ccc(F)cc1 ZINC000587361571 KK Annotated Unstable COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361582 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361583 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC ZINC000587361584 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC ZINC000587361585 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)[C@H](Br)C(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587361590 KK Annotated Reactive COc1cccc(-c2cc(-c3cccc(NC(=O)[C@@H](Br)C(C)C)c3)nc3c2oc2ccccc23)c1 ZINC000587361591 KK Annotated Reactive COc1cccc(-c2c(Cc3ccccc3Br)c(C(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587361593 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(O)nc3/C=C\N(C)C)nc3c2oc2ccccc23)c1 ZINC000587361596 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361597 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(O)nc3/C=C/N(C)C)nc3c2oc2ccccc23)c1 ZINC000587361598 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361600 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361601 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361603 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587361635 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587361636 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587361637 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587361638 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)cc(Br)c3O)nc3c2oc2ccccc23)c1 ZINC000587361683 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587361695 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)[C@H]1c1ccc(F)cc1 ZINC000587361696 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587361697 KK Annotated Unstable O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(S(=O)(=O)Cl)c2)[C@@H]1c1ccc(F)cc1 ZINC000587361698 KK Annotated Unstable CC(C)(C)[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361708 KK Annotated Anodyne CC(C)(C)[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361709 KK Annotated Anodyne CC(C)(C)[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587361710 KK Annotated Anodyne CC(C)(C)[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587361711 KK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc(Br)cc3C)nc3c2oc2ccccc23)c1 ZINC000587361712 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587361719 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587361720 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587361721 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587361722 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C[C@H](C)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587361778 KK Annotated Mild COc1cccc(-c2cc(-c3c(O)cc(OCc4ccccc4)cc3OCc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587361782 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@@H](C)C[C@H]4[C@@H]5CC[C@](OC(C)=O)(C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587361799 KK Annotated Anodyne CCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCCCCCC(=O)OC ZINC000587361816 KK Annotated Anodyne COC(=O)[C@H]1c2c(nc3c(oc4ccccc43)c2-c2cccc(OC)c2)C[C@H]1C(=O)OCc1ccccc1 ZINC000587361832 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361838 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(C(C)(C)C)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587361841 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3cn(C)c4ccccc34)c(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361842 KK Annotated Anodyne CCOC(=O)[C@@H](Cc1ccc(C(C)(C)C)cc1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587361843 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C=C[C@@H]4[C@H](CC[C@]5(C)[C@@H](OC(C)=O)CC[C@@H]45)[C@H]2C3)c1 ZINC000587361875 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](OC(=O)c6ccccc6)CC[C@@H]45)[C@@]2(C)C3)c1 ZINC000587361881 KK Annotated Anodyne CC[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587361882 KK Annotated Anodyne CC[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1 ZINC000587361883 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587361896 KK Annotated Bother COc1cccc(-c2c([C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587361900 KK Annotated Bother COc1cccc(-c2c([C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587361901 KK Annotated Bother COc1cccc(-c2c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587361902 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@](OC(C)=O)(C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587361912 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587361937 KK Annotated Anodyne CCCn1cnc2c1c(=O)n(CCCCc1cc(-c3cccc(OC)c3)c3oc4ccccc4c3n1)c(=O)n2C ZINC000587361972 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3C(=O)C(=O)N(CCC(=O)O)[C@@H]3c3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361987 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)C(=O)N(CCC(=O)O)[C@@H]3c3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361990 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)C(=O)N(CCC(=O)O)[C@H]3c3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361991 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3C(=O)C(=O)N(CCC(=O)O)[C@H]3c3ccc(C(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587361992 KK Annotated Anodyne CCOC(=O)[C@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCN1C(=O)OC(C)(C)C ZINC000587362016 KK Annotated Anodyne CCOC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCN1C(=O)OC(C)(C)C ZINC000587362017 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)nc3c2oc2ccccc23)c1 ZINC000587362042 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]32)c1 ZINC000587362057 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]32)c1 ZINC000587362058 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]32)c1 ZINC000587362062 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]32)c1 ZINC000587362064 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/c2nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c2CC[C@@H](C)C/C=C/[C@H]3[C@@H]1O ZINC000587362069 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]2C3)c1 ZINC000587362079 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]2C3)c1 ZINC000587362082 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2C[C@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@H]2C3)c1 ZINC000587362084 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2C[C@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]2C3)c1 ZINC000587362085 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)C(=O)N(CCC(=O)O)[C@@H]3c3cccc(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362102 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3C(=O)C(=O)N(CCC(=O)O)[C@H]3c3cccc(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362104 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3C(=O)C(=O)N(CCC(=O)O)[C@@H]3c3cccc(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362107 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)C(=O)N(CCC(=O)O)[C@H]3c3cccc(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362109 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]32)c1 ZINC000587362114 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]32)c1 ZINC000587362116 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]32)c1 ZINC000587362118 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]32)c1 ZINC000587362119 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)c1 ZINC000587362126 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C(C)=C[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(OC(C)=O)C(C)=O)[C@H]2C3)c1 ZINC000587362179 KK Annotated Anodyne C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587362183 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@@H]3CC[C@]21C ZINC000587362184 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@]21C ZINC000587362185 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@]21C ZINC000587362186 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@@H]3CC[C@]21C ZINC000587362187 KK Annotated Mild COc1cccc(-c2c(Cc3ccccc3)c(-c3c(O)cc(OC)c(OC)c3O)nc3c2oc2ccccc23)c1 ZINC000587362200 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362202 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5c(nc6c(oc7ccccc76)c5-c5cccc(OC)c5)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000587362206 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](NC(=O)OCC2c4ccccc4-c4ccccc42)C3)c1 ZINC000587362208 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](NC(=O)OCC2c4ccccc4-c4ccccc42)C3)c1 ZINC000587362212 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(OC)cccc3OC(=O)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587362217 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)n(-c4ccc(C)cc4)c4ccc(O)cc34)nc3c2oc2ccccc23)c1 ZINC000587362228 KK Annotated Anodyne CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587362234 KK Annotated Mild COC(=O)[C@@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362241 KK Annotated Anodyne COC(=O)[C@H](c1ccc(OC)cc1)c1c(-c2ccc(OC)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362242 KK Annotated Anodyne COc1cccc(-c2c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c(-c3ccc(C4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587362259 KK Annotated Anodyne COc1cccc(-c2c([C@H](C(=O)O)c3cn(C)c4ccccc34)c(-c3ccc(C4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587362263 KK Annotated Anodyne CCOC(=O)C1CCN(c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2[N+](=O)[O-])CC1 ZINC000587362297 KK Annotated Bother CCCCCCCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCC(=O)OC ZINC000587362308 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)nc3c2oc2ccccc23)c1 ZINC000587362314 KK Annotated Bother CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362315 KK Annotated Anodyne CCOC(=O)C(=CNc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1)C(=O)OCC ZINC000587362318 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362327 KK Annotated Bother COc1cccc(-c2cc(C[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362328 KK Annotated Bother COc1cccc(-c2cc(C[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362329 KK Annotated Bother COc1cccc(-c2cc(C[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587362330 KK Annotated Bother COC(=O)[C@@H](Oc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1)c1ccccc1 ZINC000587362362 KK Annotated Anodyne COC(=O)[C@H](Oc1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)cc1)c1ccccc1 ZINC000587362364 KK Annotated Anodyne COc1cccc(-c2cc(CC(=O)Nc3ccc(NC(=O)CC(C)=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587362367 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)[C@@H]4c5c[nH]c6cccc(c56)C[C@H]4C(C)(C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362370 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)[C@H]4c5c[nH]c6cccc(c56)C[C@@H]4C(C)(C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362373 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)[C@H]4c5c[nH]c6cccc(c56)C[C@H]4C(C)(C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362375 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3C(=O)[C@@H]4c5c[nH]c6cccc(c56)C[C@@H]4C(C)(C)N(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587362376 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c4c3OCC(=O)N4)nc3c2oc2ccccc23)c1 ZINC000587362378 KK Annotated Anodyne COc1cccc(-c2c(CCOC(=O)c3ccc(O)cc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587362382 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)cc1 ZINC000587362385 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc4cc5c6c(c4oc3=O)CCCN6CCC5)nc3c2oc2ccccc23)c1 ZINC000587362389 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000587362396 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1 ZINC000587362399 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587362412 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@@H]2CN1C(=O)OC ZINC000587362413 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@H]2CN1C(=O)OC ZINC000587362415 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@@H]2CN1C(=O)OC ZINC000587362417 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@H]2CN1C(=O)OC ZINC000587362418 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O[C@H](C(=O)O)c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587362427 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(O[C@@H](C(=O)O)c4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587362429 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@@]2(O)C(=O)Nc4ccccc42)OC(C)(C)C3)c1 ZINC000587362476 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@]2(O)C(=O)Nc4ccccc42)OC(C)(C)C3)c1 ZINC000587362479 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@]2(O)C(=O)Nc4ccccc42)OC(C)(C)C3)c1 ZINC000587362481 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@@]2(O)C(=O)Nc4ccccc42)OC(C)(C)C3)c1 ZINC000587362483 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)[nH]c(N=Nc4cccc(C(=O)O)c4)c3C)nc3c2oc2ccccc23)c1 ZINC000587362504 KK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@@H]32)c1 ZINC000587362529 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@H]32)c1 ZINC000587362534 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)[C@@H]32)c1 ZINC000587362537 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)[C@H]32)c1 ZINC000587362540 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CN(C(=O)OCC2c4ccccc4-c4ccccc42)CC3)c1 ZINC000587362546 KK Annotated Anodyne CCCCCc1c(CCCCCCCCCCC(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362547 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3c(O)cc(OC)cc3OC)nc3c2oc2ccccc23)c1 ZINC000587362564 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3c(OC)cc(O)c(OC)c3O)nc3c2oc2ccccc23)c1 ZINC000587362577 KK Annotated Anodyne CCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362607 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)c(OC)c3)c(CC(=O)CCc3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362639 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@H]4CC[C@]5(C)[C@@H](OC(=O)c6ccccc6)CC[C@H]5[C@@H]4CC[C@@H]32)c1 ZINC000587362660 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587362672 KK Annotated Mild COc1cccc(-c2c(CCCC3OCCO3)c([C@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362719 KK Annotated Anodyne COc1cccc(-c2c(CCCC3OCCO3)c([C@@H](C)NC(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362720 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587362744 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@](NC(=O)OCC2c4ccccc4-c4ccccc42)(C(=O)O)C3)c1 ZINC000587362745 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@](NC(=O)OCC2c4ccccc4-c4ccccc42)(C(=O)O)C3)c1 ZINC000587362746 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)c1 ZINC000587362754 KK Annotated Anodyne COCCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362773 KK Annotated Bother COCCOC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587362775 KK Annotated Bother CCCCCCCc1c(-c2c(O)cc(O)cc2CC(=O)OCCCCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362822 KK Annotated Mild CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@H]2CN1C(=O)OC(C)(C)C ZINC000587362824 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587362828 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@H]2CN1C(=O)OC(C)(C)C ZINC000587362830 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)C[C@H]4Nc5ccccc5NC4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587362832 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587362833 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)C[C@@H]4Nc5ccccc5NC4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587362837 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)COC43CN(C(=O)OC(C)(C)C)C3)nc3c2oc2ccccc23)c1 ZINC000587362851 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3c(O)c(C)c(O)c(C)c3OC)nc3c2oc2ccccc23)c1 ZINC000587362879 KK Annotated Anodyne COc1cccc(-c2cc(CCC(=O)OCCN3C(C)(C)CC(OC)CC3(C)C)nc3c2oc2ccccc23)c1 ZINC000587362888 KK Annotated Anodyne COc1cccc(-c2c(C3CC(=O)NC(=O)C3)c(-c3cc(C)cc(C)c3O)nc3c2oc2ccccc23)c1 ZINC000587362890 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@]12C ZINC000587362900 KK Annotated Mild CCCc1c(OCCCCc2nn[nH]n2)ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1O ZINC000587362902 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)c(OC)c3)c(C[C@H](O)CCc3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362905 KK Annotated Anodyne COc1cccc(-c2c(CCCC3OCCO3)c([C@H]3CCCN3C(=O)OC(C)(C)C)nc3c2oc2ccccc23)c1 ZINC000587362908 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)c(OC)c3)c(C[C@@H](O)CCc3ccc(O)c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587362909 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587362922 KK Annotated Anodyne COc1ccc([C@H]2[C@@H](c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587362923 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587362925 KK Annotated Anodyne COc1ccc([C@H]2[C@H](c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)C(=O)C(=O)N2CCC(=O)O)cc1 ZINC000587362929 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3c(O)cc(OC)cc3O)nc3c2oc2ccccc23)c1 ZINC000587362947 KK Annotated Anodyne COC(=O)CCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587362956 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587362979 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H](C3)CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c1 ZINC000587363021 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]2C3)c1 ZINC000587363024 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H](C3)CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)O)c1 ZINC000587363026 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H](C3)CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c1 ZINC000587363029 KK Annotated Anodyne COc1cccc(-c2c(CC(=O)OCCN3C(C)(C)CC(OC)CC3(C)C)c(C)nc3c2oc2ccccc23)c1 ZINC000587363036 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587363049 KK Annotated Anodyne COC(=O)[C@]1(Cc2c(C)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587363052 KK Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)nc3c(oc4ccccc43)c2-c2cccc(OC)c2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587363058 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)[C@@H]2O[C@@H]2C1=O ZINC000587363097 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)Cc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)[C@@H]2O[C@@H]2C1=O ZINC000587363098 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)[C@@H]2O[C@@H]2C1=O ZINC000587363099 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)Cc3c2nc2c(oc4ccccc42)c3-c2cccc(OC)c2)[C@@H]2O[C@@H]2C1=O ZINC000587363100 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3O)nc3c2oc2ccccc23)c1 ZINC000587363101 KK Annotated Bother CCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587363115 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3OC(=O)c3ccc([N+](=O)[O-])c(OC)c3)nc3c2oc2ccccc23)c1 ZINC000587363123 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]2C[C@@H](O)CC[C@]2(C)[C@H]2C[C@H]4[C@@H]5CN6C[C@@H](C)CC[C@H]6[C@@](C)(O)[C@@H]5CC[C@H]4[C@H]32)c1 ZINC000587363144 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c3C)nc3c2oc2ccccc23)c1 ZINC000587363146 KK Annotated Bother COc1cccc(-c2cc(-c3ccc(Nc4c5ccccc5nc5occc45)cc3)nc3c2oc2ccccc23)c1 ZINC000587363147 KK Annotated Anodyne COC(=O)c1cc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C)cn1C(=O)OC(C)(C)C ZINC000587363154 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363157 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@@H](c2c(C)cc(C)cc2C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363163 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363164 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587363165 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OCc4ccccc4)c4nc(O)ccc34)nc3c2oc2ccccc23)c1 ZINC000587363168 KK Annotated Anodyne COc1cccc(-c2cc([C@H](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587363190 KK Annotated Bother COc1cccc(-c2cc([C@@H](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587363191 KK Annotated Bother CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363199 KK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363202 KK Annotated Mild COc1cccc(-c2cc(-c3c(O)nc4ccc(C)cc4c3-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363235 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1Cc1c2nc2c(oc3ccccc32)c1-c1cccc(OC)c1)CC(OC)=CC4 ZINC000587363277 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@]12C ZINC000587363282 KK Annotated Anodyne CCOC(=O)Cc1c(-c2ccc(OC)c(OC)c2OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363286 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587363303 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC(C)C)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587363323 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587363338 KK Annotated Anodyne CCCCCCCCCCCCc1c(CCCC(=O)OC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587363341 KK Annotated Mild CCOC(=O)[C@@H]1C[C@@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587363343 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@@H]2CN1C(=O)OC(C)(C)C ZINC000587363344 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2c3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)CC[C@H]2CN1C(=O)OC(C)(C)C ZINC000587363345 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587363372 KK Annotated Mild COc1cccc(-c2cc(C3=CC(=O)N(c4nn(C(C)=O)c5ccccc45)C3=O)nc3c2oc2ccccc23)c1 ZINC000587363416 KK Annotated Anodyne COc1cccc(-c2c(CCC(=O)ON3C(=O)CCC3=O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363431 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2(C3)CN(C(c3ccccc3)c3ccccc3)C2)c1 ZINC000587363462 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@@H]32)c1 ZINC000587363463 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@H]32)c1 ZINC000587363464 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@@H]32)c1 ZINC000587363465 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@H]32)c1 ZINC000587363466 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2[C@H]3CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c1 ZINC000587363468 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4cc(C)ccc4n2CCN(Cc2ccccc2)Cc2ccccc2)CC3)c1 ZINC000587363497 KK Annotated Clean COc1cccc(-c2cc(-c3c(C)nn(CCC(=O)N4CCOCC4)c3C)nc3c2oc2ccccc23)c1 ZINC000587363508 KK Annotated Anodyne COC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587363530 KK Annotated Bother COC(=O)[C@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587363531 KK Annotated Bother COC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587363533 KK Annotated Bother COC(=O)[C@@H](c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1)[C@H](C[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000587363534 KK Annotated Bother CCCn1cnc2c1c(=O)n(CCCc1c(C)nc3c(oc4ccccc43)c1-c1cccc(OC)c1)c(=O)n2C ZINC000587363536 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(NC(=O)c4ccccc4C(=O)O)c3)nc3c2oc2ccccc23)c1 ZINC000587363538 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N[C@H]4[C@H](N)[C@@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@@]4(O)COC(=O)c4c(C)cccc4O)c3)nc3c2oc2ccccc23)c1 ZINC000587363612 KK Annotated Anodyne COc1cccc(-c2cc(C(=NNc3ccc(C)cc3[N+](=O)[O-])C(=O)Nc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587363655 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587363709 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000587363713 KK Annotated Mild COc1cccc(-c2c([C@@H]3CCCC[C@H]3C(=O)O)c(-c3ccccc3OC)nc3c2oc2ccccc23)c1 ZINC000587363730 KK Annotated Anodyne COC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]1C(=O)OCc1ccccc1 ZINC000587363744 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5C[C@H](OC(C)=O)[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587363753 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@H]5C[C@@H](OC(C)=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587363780 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2[C@@H]3CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c1 ZINC000587363790 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H]2[C@@H]3CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)O)c1 ZINC000587363791 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]2[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]32)c1 ZINC000587363793 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587363801 KK Annotated Mild CCCCC/C=C\c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccc(O)c(OC)c1 ZINC000587363802 KK Annotated Anodyne CCCCC/C=C/c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccc(O)c(OC)c1 ZINC000587363803 KK Annotated Anodyne COc1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000587363836 KK Annotated Anodyne COC(=O)[C@]1(CCc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587363859 KK Annotated Anodyne COC(=O)[C@@]1(CCc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587363860 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3)nc3c2oc2ccccc23)c1 ZINC000587363863 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H]3CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c1 ZINC000587363864 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]32)c1 ZINC000587363865 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H]3CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H]2C(=O)O)c1 ZINC000587363866 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H]3CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]2C(=O)O)c1 ZINC000587363867 KK Annotated Anodyne CCn1c2ccc(C(C)=O)cc2c2cc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)ccc21 ZINC000587363872 KK Annotated Anodyne COc1cccc(-c2cc([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C3)C(=O)c3ccccc3C5=O)nc3c2oc2ccccc23)c1 ZINC000587363890 KK Annotated Clean CCOC(=O)C(Cc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OC(C)C)C(=O)OCC ZINC000587363961 KK Annotated Anodyne CCOC(=O)C1(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587363963 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)[C@H]2C1 ZINC000587363966 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)[C@@H]2C1 ZINC000587363971 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)[C@H]2C1 ZINC000587363973 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)[C@@H]2C1 ZINC000587363975 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@H]2COCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587363987 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@H]2COCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587363988 KK Annotated Anodyne COc1cccc(-c2cc(/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)OC(C)C)nc3c2oc2ccccc23)c1 ZINC000587363995 KK Annotated Bother COc1cccc(-c2cc(/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)OC(C)C)nc3c2oc2ccccc23)c1 ZINC000587363997 KK Annotated Bother CCOC(=O)COc1cc(OCC=C(C)C)ccc1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364020 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587364033 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)cccc3OC[C@H](O)COc3cccc(O)c3C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587364071 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)cccc3OC[C@@H](O)COc3cccc(O)c3C(C)=O)nc3c2oc2ccccc23)c1 ZINC000587364072 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](C(=O)COC(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364099 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@]12C ZINC000587364100 KK Annotated Mild CCOC(=O)[C@H](Cc1cccc(OC)c1)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC ZINC000587364123 KK Annotated Anodyne CCOC(=O)[C@@H](Cc1cccc(OC)c1)c1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC ZINC000587364125 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C(C)=C[C@H]4[C@@H]5CC[C@](OC(C)=O)(C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364146 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364150 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587364154 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364199 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc4c(C)c(C)c(=O)oc4c3C)nc3c2oc2ccccc23)c1 ZINC000587364213 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc4c(C)c(C)c(=O)oc4c3C)nc3c2oc2ccccc23)c1 ZINC000587364214 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364215 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364216 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364217 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364219 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364220 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364224 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364226 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587364227 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364229 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@@H]2COCCN2C(=O)OC(C)(C)C)CC3)c1 ZINC000587364230 KK Annotated Anodyne COc1cccc(-c2cc(CSc3nnc(-c4cccc(Br)c4)o3)nc3c2oc2ccccc23)c1 ZINC000587364268 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587364273 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364274 KK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3sc(Cl)c(Cl)c3Cl)nc3c2oc2ccccc23)c1 ZINC000587364297 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(C4CCN(C(=O)OC(C)(C)C)CC4)c3)nc3c2oc2ccccc23)c1 ZINC000587364314 KK Annotated Anodyne COc1cccc(-c2cc(-c3scc(Br)c3Br)nc3c2oc2ccccc23)c1 ZINC000587364316 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364320 KK Annotated Anodyne COC(=O)[C@H]1C[C@H]2c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]1N2C(=O)OC(C)(C)C ZINC000587364321 KK Annotated Anodyne COC(=O)[C@@H]1C[C@H]2c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]1N2C(=O)OC(C)(C)C ZINC000587364323 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(NNS(=O)(=O)c2ccc(C)cc2)=CC3)c1 ZINC000587364328 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587364337 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)c1 ZINC000587364342 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)c1 ZINC000587364343 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C[C@@H]32)c1 ZINC000587364344 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)O)c1 ZINC000587364346 KK Annotated Anodyne COc1cccc(-c2c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c(-c3ccc(C(C)(C)C(=O)O)cc3)nc3c2oc2ccccc23)c1 ZINC000587364350 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]2C3)c1 ZINC000587364358 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(NC(=O)c4ccc(Cl)s4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364359 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]2C3)c1 ZINC000587364360 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]2C3)c1 ZINC000587364362 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]2C3)c1 ZINC000587364364 KK Annotated Anodyne COc1cccc(-c2cc(COc3ccc4c5c(c(=O)oc4c3C)CCC5)nc3c2oc2ccccc23)c1 ZINC000587364372 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4c(OC)cc5c(c4oc2=O)[C@@H]2CCO[C@@H]2O5)C3)c1 ZINC000587364381 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]3(CCC(=O)O3)[C@@]1(C)C[C@H]2O ZINC000587364393 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccccc4Br)s3)nc3c2oc2ccccc23)c1 ZINC000587364397 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc(Br)c(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587364403 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C ZINC000587364405 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(CSc4nnnn4C)c3)nc3c2oc2ccccc23)c1 ZINC000587364416 KK Annotated Anodyne COc1cccc(-c2cc([C@@]34O[C@@H]3C[C@@H]3[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587364433 KK Annotated Anodyne COc1cccc(-c2cc([C@@]34O[C@@H]3C[C@@H]3[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587364434 KK Annotated Anodyne COc1cccc(-c2cc([C@@]34O[C@@H]3C[C@@H]3[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587364435 KK Annotated Anodyne COc1cccc(-c2cc([C@@]34O[C@@H]3C[C@@H]3[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587364436 KK Annotated Anodyne COc1cccc(-c2c(CCC(=O)O)c(-c3ccc(Br)s3)nc3c2oc2ccccc23)c1 ZINC000587364444 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364447 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O ZINC000587364477 KK Annotated Mild CCCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCCCC ZINC000587364483 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587364484 KK Annotated Mild COc1cccc(-c2c(C3CCCC3)c(-c3ccc(Oc4ccccc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364521 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]3C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000587364559 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]3C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c1 ZINC000587364560 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]2CN1C(=O)OC ZINC000587364565 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@@H]2CN1C(=O)OC ZINC000587364566 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@H]2CN1C(=O)OC ZINC000587364567 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@H]2CN1C(=O)OC ZINC000587364568 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c2)CC1 ZINC000587364571 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc3c2oc2ccccc23)c1 ZINC000587364594 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CC(=O)CO4)[C@H]13 ZINC000587364616 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3cc(C)cc4oc(=O)c(C)c(C)c34)nc3c2oc2ccccc23)c1 ZINC000587364627 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3cc(C)cc4oc(=O)c(C)c(C)c34)nc3c2oc2ccccc23)c1 ZINC000587364628 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](C[C@@]5(CO5)C5=CC(=O)C=C[C@@]54C)[C@@H]2C3)c1 ZINC000587364630 KK Annotated Mild COc1cccc(-c2cc(-c3cccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364631 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364632 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)c3)nc3c2oc2ccccc23)c1 ZINC000587364633 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](C[C@]5(CO5)C5=CC(=O)C=C[C@@]54C)[C@@H]2C3)c1 ZINC000587364635 KK Annotated Mild COc1cccc(-c2c([C@@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364642 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@H]3C(=O)Oc4cc(O)ccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364643 KK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4ccccc4N/C3=C/N3CCOCC3)nc3c2oc2ccccc23)c1 ZINC000587364645 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364646 KK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4ccccc4N/C3=C\N3CCOCC3)nc3c2oc2ccccc23)c1 ZINC000587364647 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)[C@@H]3C(=O)Oc4cc(O)ccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364648 KK Annotated Anodyne COc1cccc(-c2c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c(-c3ccc(C(C)(C)C)cc3)nc3c2oc2ccccc23)c1 ZINC000587364649 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCC2(CCN(C(=O)OCc4ccccc4)CC2)C3)c1 ZINC000587364672 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCO4)nc3c2oc2ccccc23)c1 ZINC000587364684 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](COS(=O)(=O)c2ccc(C)cc2)C3)c1 ZINC000587364694 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)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/C2=C(C)C(=O)CCC2(C)C)C(C)(C)C3)c1 ZINC000587364695 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](COS(=O)(=O)c2ccc(C)cc2)C3)c1 ZINC000587364696 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)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\C2=C(C)C(=O)CCC2(C)C)C(C)(C)C3)c1 ZINC000587364698 KK Annotated Mild CCCOc1ccn2c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587364699 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N(C)CC(=O)O)cc3)nc3c2oc2ccccc23)c1 ZINC000587364714 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@@H]2CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364717 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(=O)[C@H]2CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587364718 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5C=CC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587364725 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(Br)=C(c2ccc(S(C)(=O)=O)cc2)C3)c1 ZINC000587364751 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@@H]5C(=O)C(=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587364754 KK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@H]5C(=O)C(=O)CC[C@]45C)[C@@H]2C3)c1 ZINC000587364755 KK Annotated Clean COc1cccc(-c2c(C)c([C@H](O[P@](=O)(CCCCc3ccccc3)CC(=O)O)C(C)C)nc3c2oc2ccccc23)c1 ZINC000587364756 KK Annotated Anodyne COc1cccc(-c2c(C)c([C@@H](O[P@@](=O)(CCCCc3ccccc3)CC(=O)O)C(C)C)nc3c2oc2ccccc23)c1 ZINC000587364759 KK Annotated Anodyne COc1cccc(-c2c(C)c([C@H](O[P@@](=O)(CCCCc3ccccc3)CC(=O)O)C(C)C)nc3c2oc2ccccc23)c1 ZINC000587364760 KK Annotated Anodyne COc1cccc(-c2c(C)c([C@@H](O[P@](=O)(CCCCc3ccccc3)CC(=O)O)C(C)C)nc3c2oc2ccccc23)c1 ZINC000587364762 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364768 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364770 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364774 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364775 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587364778 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587364779 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc4ccc5cccc6ccc(c2CC3)c4c56)c1 ZINC000587364784 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@@H]3CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]32)c1 ZINC000587364790 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]32)c1 ZINC000587364793 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@@H]3CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H](C(C)=O)CC[C@@H]32)c1 ZINC000587364797 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc4c(oc(=O)c5ccccc54)c3C)nc3c2oc2ccccc23)c1 ZINC000587364800 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@@H]3CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@]4(C)CC[C@H]32)c1 ZINC000587364802 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc4c(oc(=O)c5ccccc54)c3C)nc3c2oc2ccccc23)c1 ZINC000587364803 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@@H]3CC[C@@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)c1 ZINC000587364806 KK Annotated Anodyne CCCCCCCCCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCCCCCCCCCC ZINC000587364808 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587364809 KK Annotated Mild COc1cccc(-c2cc(CCS(=O)(=O)c3ccc(Cl)c(Cl)c3)nc3c2oc2ccccc23)c1 ZINC000587364810 KK Annotated Anodyne C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587364812 KK Annotated Mild CCCCCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCCCCCC ZINC000587364813 KK Annotated Mild COc1cccc(-c2c([C@@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364837 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364840 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364842 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587364844 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587364861 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587364862 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587364865 KK Annotated Mild COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587364868 KK Annotated Mild COc1cccc(-c2cc(C[C@@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364869 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364880 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364883 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587364887 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](C(=O)C=C5C[C@@H](OC(C)=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587364893 KK Annotated Mild COc1cccc(-c2cc(COc3cc(C)cc4oc(=O)c5c(c34)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587364902 KK Annotated Anodyne CCCCCCCCC[C@H](O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccc(O)c(OC)c1 ZINC000587364903 KK Annotated Mild COc1cccc(-c2cc([C@@]3(O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587364924 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587364926 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCc1cnc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587364937 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(C[C@@H]3C)C[C@H](O)[C@@]3(O)[C@@H](O)c4c(O)cccc4C(=O)[C@H]23)c1 ZINC000587364941 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(C[C@@H]3C)C[C@H](O)[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@@H]3O)c1 ZINC000587364942 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(C[C@@H]3C)C[C@H](O)[C@]3(O)[C@@H]2C(=O)c2cccc(O)c2[C@H]3O)c1 ZINC000587364943 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(C[C@@H]3C)C[C@H](O)[C@]3(O)[C@H]2C(=O)c2cccc(O)c2[C@H]3O)c1 ZINC000587364944 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]2(C)[C@H]3C)c1 ZINC000587364963 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(O)ccc2[C@H]2CC[C@]4(C)[C@@H](O)CC[C@H]4[C@H]32)c1 ZINC000587364966 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](OC(C)=O)C[C@]5(C)[C@H](C(C)=O)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587364973 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](OC(C)=O)C[C@@]5(C)[C@H]4CC[C@H]5C(C)=O)[C@]2(C)C3)c1 ZINC000587364974 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](C)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587364975 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](OC(C)=O)C[C@]5(C)[C@H](C(C)=O)CC[C@H]45)[C@@]2(C)C3)c1 ZINC000587364976 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@@H](C(C)=O)[C@@]5(C)C[C@@H](OC(C)=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587364978 KK Annotated Anodyne C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@]21C ZINC000587364986 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@@H]3CC[C@]21C ZINC000587364990 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587364993 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000587364995 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@]4(C)[C@H]3CC[C@@]21C ZINC000587364998 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4C(=CCc5cc(OC(C)=O)ccc54)[C@H]2C3)c1 ZINC000587365001 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@@H]4C(=CCc5cc(OC(C)=O)ccc54)[C@H]2C3)c1 ZINC000587365003 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4C(=CCc5cc(OC(C)=O)ccc54)[C@@H]2C3)c1 ZINC000587365004 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@](C)(O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365009 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C(C)=O)CC[C@@H]45)[C@H]2C3)c1 ZINC000587365078 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@@H]4C(=CCc5cc(OC(C)=O)ccc54)[C@@H]2C3)c1 ZINC000587365093 KK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](CC[C@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587365097 KK Annotated Anodyne CCCCC[C@@H]1CC[C@@H](CC[C@@H]2CCc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C2)CC1 ZINC000587365100 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(C[C@H](CCc3ccccc3)O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)nc3c2oc2ccccc23)c1 ZINC000587365117 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365119 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365120 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587365124 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365126 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365128 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365129 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365131 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587365133 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@H]2CCCSC2)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365135 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365137 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Oc4ccc(-c5ccccc5)cc4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365142 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365147 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365149 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365151 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365156 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(C)O)[C@@]2(C)C3)c1 ZINC000587365161 KK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Cc4ccc(OC)c(OC)c4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587365163 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]2CC[C@@]4(C)[C@@H]([C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]54C)[C@@]2(C)C3)c1 ZINC000587365170 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@H]2CC[C@@]4(C)[C@@H]([C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]54C)[C@@]2(C)C3)c1 ZINC000587365181 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@]2(C)[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CC[C@@H]32)c1 ZINC000587365198 KK Annotated Anodyne COc1cccc(-c2cc(CCS(=O)(=O)c3cc(Cl)ccc3Cl)nc3c2oc2ccccc23)c1 ZINC000587365211 KK Annotated Anodyne CCC[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000587365221 KK Annotated Anodyne COC1=CC[C@@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365236 KK Annotated Clean COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365241 KK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(OC(C)=O)=C2CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587365245 KK Annotated Anodyne COC1=CC[C@@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365247 KK Annotated Clean COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365252 KK Annotated Clean C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5CC4=C3C=C[C@@]21C ZINC000587365274 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3CCCC)[C@H]1C2 ZINC000587365277 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H](c3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3CCCC)[C@H]1C2 ZINC000587365284 KK Annotated Mild CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C ZINC000587365291 KK Annotated Reactive COc1cccc(-c2cc(C=P(c3ccccc3)(c3ccccc3)c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587365295 KK Annotated Unstable COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C)[C@@]2(C)CC[C@H]4[C@@](C)(CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]45C)[C@@H]2C3)c1 ZINC000587365299 KK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c12 ZINC000587365353 KK Annotated Anodyne CCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c12 ZINC000587365357 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365365 KK Annotated Anodyne CCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587365366 KK Annotated Mild COc1cccc(-c2cc(C[C@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365370 KK Annotated Anodyne COC(=O)c1ccc(COc2ccccc2-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)o1 ZINC000587365374 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CCC5=C(OC(C)=O)C(=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587365375 KK Annotated Mild COc1cccc(-c2cc(C[C@H](c3ccc(O)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365376 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccc(O)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365380 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C=C[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587365387 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587365397 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587365425 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)c(O)c3)c(/C=C/CCc3ccc(O)c(O)c3)nc3c2oc2ccccc23)c1 ZINC000587365454 KK Annotated Clean COc1cccc(-c2cc(CN3C(=O)c4c(sc5c4CCCC5)N/C3=C\Cl)nc3c2oc2ccccc23)c1 ZINC000587365477 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O)CC[C@@H]45)[C@H]2C3)c1 ZINC000587365482 KK Annotated Anodyne COc1cccc(-c2cc(CN3C(=O)c4c(sc5c4CCCC5)N/C3=C/Cl)nc3c2oc2ccccc23)c1 ZINC000587365490 KK Annotated Anodyne CCOC(=O)c1oc2ccc(CCc3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2c1C ZINC000587365495 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@]2(C)CC[C@@H]4[C@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@H]32)c1 ZINC000587365502 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365506 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@]2(C)CC[C@@H]4[C@H](CC[C@H]5C[C@H](O)CC[C@@]54C)[C@@H]32)c1 ZINC000587365507 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@]2(C)CC[C@@H]4[C@H](CC[C@H]5C[C@H](O)CC[C@@]54C)[C@H]32)c1 ZINC000587365509 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@]2(C)CC[C@@H]4[C@H](CC[C@H]5C[C@H](O)CC[C@]54C)[C@@H]32)c1 ZINC000587365510 KK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365511 KK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365513 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365516 KK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]2CC3(C[C@H]21)OCC(C)(C)CO3 ZINC000587365518 KK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]2CC3(C[C@H]12)OCC(C)(C)CO3 ZINC000587365519 KK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@@H]2CC3(C[C@@H]12)OCC(C)(C)CO3 ZINC000587365522 KK Annotated Anodyne COC(=O)[C@@H]1c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]2CC3(C[C@@H]21)OCC(C)(C)CO3 ZINC000587365523 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)NC(=O)NC4CCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365524 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)c2ccc(S(C)(=O)=O)cc2Cl)C(=O)CC3)c1 ZINC000587365529 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)c2ccc(S(C)(=O)=O)cc2Cl)C(=O)CC3)c1 ZINC000587365534 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)C[C@H](O)[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587365535 KK Annotated Mild COc1cccc(-c2cc(-c3cc(S(=O)(=O)Cl)ccc3Br)nc3c2oc2ccccc23)c1 ZINC000587365536 KK Annotated Unstable CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365538 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365540 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365542 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@@H](C)SCC)c2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 ZINC000587365544 KK Annotated Anodyne COc1cccc(-c2cc(-c3cnc(Nc4cc(OC)ccc4OC)s3)nc3c2oc2ccccc23)c1 ZINC000587365575 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OCC ZINC000587365634 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OCC ZINC000587365637 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@]43C)[C@H]1CC[C@@]2(C)O ZINC000587365654 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000587365661 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@]43C)[C@@H]1CC[C@@]2(C)O ZINC000587365667 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@H]4C(=O)C[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]32)c1 ZINC000587365669 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000587365670 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](O)C[C@@]5(C)[C@H]4CC[C@H]5C(C)=O)[C@]2(C)C3)c1 ZINC000587365677 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](O)C[C@]5(C)[C@H](C(C)=O)CC[C@H]45)[C@@]2(C)C3)c1 ZINC000587365680 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](O)C[C@]5(C)[C@H](C(C)=O)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587365685 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@@H](C(C)=O)[C@@]5(C)C[C@@H](O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587365690 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@@H](C)C[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587365694 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587365695 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H](CC(=O)[C@@]4(C)[C@H]2CC[C@@H]4[C@H](C)CCC(=O)O)[C@@]2(C)CCC(=O)C[C@@H]32)c1 ZINC000587365720 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]2[C@H](CC(=O)[C@@]4(C)[C@H]2CC[C@@H]4[C@H](C)CCC(=O)O)[C@@]2(C)CCC(=O)C[C@H]32)c1 ZINC000587365724 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)Cc2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)sc(C)c1C ZINC000587365735 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)c(C)c(O)c4c3OC3=CC(=O)[C@@H](C(C)=O)C(=O)[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587365759 KK Annotated Mild COc1cccc(-c2cc(-c3c(O)c(C)c(O)c4c3OC3=CC(=O)[C@@H](C(C)=O)C(=O)[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365774 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CCC4=C5CCC(=O)C=C5CC[C@H]4[C@@H]2C3)c1 ZINC000587365775 KK Annotated Mild COc1cccc(-c2cc(-c3c(O)c(C)c(O)c4c3OC3=CC(=O)[C@H](C(C)=O)C(=O)[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365777 KK Annotated Mild COc1cccc(-c2cc(-c3c(O)c(C)c(O)c4c3OC3=CC(=O)[C@H](C(C)=O)C(=O)[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587365779 KK Annotated Mild COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N4CCN(C(=O)CCl)CC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365785 KK Annotated Reactive CCCCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587365795 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5C[C@H](C)C6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365799 KK Annotated Mild COc1cccc(-c2c([C@@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365804 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccco3)[C@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365807 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365810 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccco3)[C@@H]3C(=O)Oc4ccccc4C3=O)c(C)nc3c2oc2ccccc23)c1 ZINC000587365817 KK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@]3(C)c4nc5c(oc6ccccc65)c(-c5cccc(OC)c5)c4C[C@@H]23)[C@@]2(C)C=CC(=O)C=C12 ZINC000587365822 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587365869 KK Annotated Mild COc1cccc(-c2c(Cc3ccccc3)c(C[C@@H](O)CCc3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587365874 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]2CCC4=C(CC[C@@]5(C)[C@H]([C@H](CCC=C(C)C)C(=O)O)CC[C@]45C)[C@@]2(C)C3)c1 ZINC000587365914 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)C3C(=O)CC(C)(C)CC3=O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587365921 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)C3C(=O)CC(C)(C)CC3=O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587365929 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc3c2oc2ccccc23)c1 ZINC000587365937 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365940 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4c(O)cccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365944 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365948 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4c(O)cccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365952 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5C(=O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587365954 KK Annotated Anodyne COc1cccc(-c2cc(-c3sc4nc(C)cc(C)c4c3NC(=O)CCl)nc3c2oc2ccccc23)c1 ZINC000587365957 KK Annotated Reactive CCCCCC(=O)c1c(O)cc(O)c(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCCC)c1O ZINC000587365974 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4C(=C2C3)C=C[C@]2(C)[C@@H](O)CC[C@@H]42)c1 ZINC000587365975 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(O)CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]43C)nc3c2oc2ccccc23)c1 ZINC000587365980 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365981 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365982 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365983 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccc(O)cc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587365985 KK Annotated Anodyne COc1cccc(-c2cc([C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587365987 KK Annotated Anodyne COc1cccc(-c2cc([C@]3(O)CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]43C)nc3c2oc2ccccc23)c1 ZINC000587365989 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(O)CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587365990 KK Annotated Anodyne CCS(=O)(=O)c1ccc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c(Cl)c1Cl ZINC000587366009 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(-c4ccc(Br)cc4)s3)nc3c2oc2ccccc23)c1 ZINC000587366011 KK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccn(S(=O)(=O)c4ccccc4)c3)nc3c2oc2ccccc23)c1 ZINC000587366014 KK Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(O)c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc12 ZINC000587366023 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(CSc4nncn4C)c3)nc3c2oc2ccccc23)c1 ZINC000587366026 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(CSc4ncccn4)c3)nc3c2oc2ccccc23)c1 ZINC000587366029 KK Annotated Anodyne COc1cccc(-c2c(C(C)C)c(-c3c(O)cc4c(c3O)[C@@H](CC(C)C)C3=C(O4)C(C)(C)C(=O)C(C)(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587366035 KK Annotated Mild COc1cccc(-c2c(C(C)C)c(-c3c(O)cc4c(c3O)[C@H](CC(C)C)C3=C(O4)C(C)(C)C(=O)C(C)(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587366036 KK Annotated Mild COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366038 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366039 KK Annotated Anodyne COc1cccc(-c2cc(C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366040 KK Annotated Anodyne COc1cccc(-c2cc(C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366041 KK Annotated Anodyne COc1cccc(-c2cc(-c3cc4c5c(c(=O)oc4c(C)c3O)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587366043 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@H]2C4=C(CCCC4=O)Oc4ccccc42)C(=O)CC3)c1 ZINC000587366045 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H]([C@@H]2C4=C(CCCC4=O)Oc4ccccc42)C(=O)CC3)c1 ZINC000587366046 KK Annotated Mild COc1cccc(-c2cc(CC(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587366048 KK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366055 KK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366056 KK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366057 KK Annotated Anodyne COc1cccc(-c2cc(CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)nc3c2oc2ccccc23)c1 ZINC000587366058 KK Annotated Anodyne CCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366080 KK Annotated Mild CCCCCCc1c(-c2ccc(-c3ccccc3)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366084 KK Annotated Anodyne CCCCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366085 KK Annotated Mild CCCC[C@@H](CC)CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C[C@H](CC)CCCC ZINC000587366094 KK Annotated Anodyne CCCC[C@H](CC)Cc1c(CC[C@H](CC)CCCC)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366096 KK Annotated Anodyne CCCC[C@H](CC)CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C[C@H](CC)CCCC ZINC000587366098 KK Annotated Anodyne CCCC[C@H](CC)CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C[C@@H](CC)CCCC ZINC000587366099 KK Annotated Anodyne CCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366157 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366160 KK Annotated Anodyne CCCCC[C@H](O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccc(O)c(OC)c1 ZINC000587366177 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@]5(C)O)[C@@H]4CC[C@@H]32)c1 ZINC000587366181 KK Annotated Anodyne CCCCCCC[C@H](O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1Cc1ccc(O)c(OC)c1 ZINC000587366194 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@@H](O)C[C@]5(C=O)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]2(C)C3)c1 ZINC000587366220 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](C(=O)COC(C)=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587366224 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(O)c(C)c(O)c(Cc4c(O)c5c(c(C(=O)/C=C/c6ccccc6)c4O)OC(C)(C)C=C5)c3O)nc3c2oc2ccccc23)c1 ZINC000587366227 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6c(nc7c(oc8ccccc87)c6-c6cccc(OC)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587366230 KK Annotated Mild COc1cccc(-c2cc(-c3c(O)c(C)c(O)c(Cc4c(O)c5c(c(C(=O)/C=C\c6ccccc6)c4O)OC(C)(C)C=C5)c3O)nc3c2oc2ccccc23)c1 ZINC000587366231 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC(=O)C5=CC(=O)C=C[C@@]54C)[C@@H]2C3)c1 ZINC000587366238 KK Annotated Mild COc1cccc(-c2cc(-c3sc(-c4ccc(Br)cc4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366248 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)cc3)c(CCCCc3ccc(O)cc3)nc3c2oc2ccccc23)c1 ZINC000587366263 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@@H]4[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]54C)[C@@H]2C3)c1 ZINC000587366283 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC[C@@H]4[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]54C)[C@H]2C3)c1 ZINC000587366290 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC[C@@H]4[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]54C)[C@@H]2C3)c1 ZINC000587366294 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@@H]4[C@@H](CC=C5C[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@]54C)[C@H]2C3)c1 ZINC000587366299 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@](O)(C(=O)COC(C)=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587366310 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](C(=O)C[C@]5(C)[C@H]4CC[C@]5(O)C(=O)COC(C)=O)[C@@]2(C)C3)c1 ZINC000587366314 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)cc3)c(/C=C/CCc3ccc(O)cc3)nc3c2oc2ccccc23)c1 ZINC000587366330 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@@H]2C4=C(CCCC4=O)Oc4ccccc42)C(=O)CC3)c1 ZINC000587366345 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H]([C@H]2C4=C(CCCC4=O)Oc4ccccc42)C(=O)CC3)c1 ZINC000587366346 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4C(=C2C3)C=C[C@@]2(C)[C@H]4CC[C@]2(C)O)c1 ZINC000587366354 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4C(=C2C3)CC[C@]2(C)C(=O)CC[C@@H]42)c1 ZINC000587366361 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCC(=O)O)[C@@H]2C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@@H]32)c1 ZINC000587366363 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)[C@@H](CC[C@@H]2[C@H](C)CCC(=O)O)[C@@H]2C(=O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]32)c1 ZINC000587366365 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5C[C@H]6O[C@@]6(C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366368 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(C[S@](=O)CC(=O)O)c3)nc3c2oc2ccccc23)c1 ZINC000587366379 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC(=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587366384 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(C[S@@](=O)CC(=O)O)c3)nc3c2oc2ccccc23)c1 ZINC000587366388 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(Br)c(S(N)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587366397 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@]2(C)[C@@H]3CC(=O)[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)O)c1 ZINC000587366410 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@@H]32)c1 ZINC000587366411 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@@H]4C5=C(C[C@@H](C)[C@H]4[C@@H]2C3)CC(OC)(OC)CC5)c1 ZINC000587366417 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@H]21 ZINC000587366425 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)C2=CC[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000587366431 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]21 ZINC000587366437 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccc(O)cc3)c(-c3c(O)cc(O)cc3O)nc3c2oc2ccccc23)c1 ZINC000587366439 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000587366443 KK Annotated Anodyne COc1cccc(-c2cc([C@H](O)[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366448 KK Annotated Anodyne COc1cccc(-c2cc([C@H](O)[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366449 KK Annotated Anodyne COc1cccc(-c2cc([C@H](O)[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366451 KK Annotated Anodyne COc1cccc(-c2cc([C@H](O)[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)nc3c2oc2ccccc23)c1 ZINC000587366453 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4c(OC)cc5c(c4oc2=O)[C@]2(O)C=CO[C@@H]2O5)C3)c1 ZINC000587366458 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)s2)cc1OCC ZINC000587366479 KK Annotated Anodyne COc1cccc(-c2c([C@H](CC(=O)c3ccccc3)c3ccccc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366487 KK Annotated Anodyne COc1cccc(-c2c([C@@H](CC(=O)c3ccccc3)c3ccccc3)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587366489 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)CCl)CC4)c3)nc3c2oc2ccccc23)c1 ZINC000587366496 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc(-c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)cc2)cc1 ZINC000587366505 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c12 ZINC000587366508 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)c3cc(-c4cccc(OC)c4)c4oc5ccccc5c4n3)c12 ZINC000587366510 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(CC3)Oc3ccccc3[C@H]2C2C(=O)CCCC2=O)c1 ZINC000587366523 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(CC3)Oc3ccccc3[C@@H]2C2C(=O)CCCC2=O)c1 ZINC000587366524 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)NCc4ccco4)cc3)nc3c2oc2ccccc23)c1 ZINC000587366540 KK Annotated Anodyne CCCCCCCCCCCCCCCCc1c(CC(=O)c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366544 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)CC3)c1 ZINC000587366550 KK Annotated Bother COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(=O)CC3)c1 ZINC000587366552 KK Annotated Bother COc1cccc(-c2cc([C@@]3(O)CC[C@@H]4[C@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587366553 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366554 KK Annotated Anodyne COc1cccc(-c2cc([C@]3(O)CC[C@@H]4[C@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 ZINC000587366555 KK Annotated Anodyne COc1cccc(-c2cc([C@@]3(O)CC[C@@H]4[C@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]43C)nc3c2oc2ccccc23)c1 ZINC000587366556 KK Annotated Anodyne COc1cccc(-c2cc([C@]3(O)CC[C@@H]4[C@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]43C)nc3c2oc2ccccc23)c1 ZINC000587366557 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(S(=O)(=O)N4CCC(C(=O)O)(c5ccccc5)CC4)c3)nc3c2oc2ccccc23)c1 ZINC000587366595 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5[C@@]4(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587366599 KK Annotated Mild COc1cccc(-c2cc([C@@H]3C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5[C@]4(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587366603 KK Annotated Mild COc1cccc(-c2cc([C@@H]3C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5[C@@]4(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587366606 KK Annotated Mild COc1cccc(-c2cc([C@H]3C(=O)C=C4Oc5c(C(C)=O)c(O)c(C)c(O)c5[C@]4(C)C3=O)nc3c2oc2ccccc23)c1 ZINC000587366608 KK Annotated Mild COc1cccc(-c2cc([C@H](C)Oc3ccc4c5c(c(=O)oc4c3)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587366628 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc4c5c(c(=O)oc4c3)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587366631 KK Annotated Anodyne CCOC(=O)c1c(NC(C)=O)sc2c1CCc1c-2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366661 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4C(=CCc5cc(OC(=O)c6ccccc6)ccc54)[C@@H]2C3)c1 ZINC000587366715 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(O)C(C)=O)[C@H]2C3)c1 ZINC000587366719 KK Annotated Anodyne CCCCCCCCCCCCCCc1c(-c2c(O)oc(CO)c2O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366723 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]542)[C@@]2(C)C=CC(=O)OC(C)(C)[C@H]32)c1 ZINC000587366749 KK Annotated Anodyne CCCCCCCCCCCCCCCc1c(-c2ccccc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366761 KK Annotated Mild CCOC(=O)c1oc2ccc(Cc3c(C)nc4c(oc5ccccc54)c3-c3cccc(OC)c3)cc2c1C ZINC000587366762 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]542)[C@@]24COC(=O)C[C@@H]2OC(C)(C)[C@H]34)c1 ZINC000587366765 KK Annotated Anodyne CCCCCCCCCCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CCCCCCCCCCCC ZINC000587366796 KK Annotated Mild CCOC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OC ZINC000587366812 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)ccc1OC ZINC000587366814 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587366817 KK Annotated Anodyne COc1cccc(-c2cc(-c3sc(N(C(=O)c4ccc(C)cc4)C4CC4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587366818 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587366823 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587366826 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587366829 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587366834 KK Annotated Anodyne CCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O ZINC000587366849 KK Annotated Anodyne CCCCCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)O ZINC000587366856 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@@]21CC ZINC000587366859 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C=O)C[C@@]2(C)[C@H]3CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)c1 ZINC000587366866 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C=O)C[C@]2(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@]5(C)O)[C@@H]4CC[C@@H]32)c1 ZINC000587366869 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](C=O)C[C@@]2(C)[C@H]3CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)c1 ZINC000587366873 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](C=O)C[C@]2(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@]5(C)O)[C@@H]4CC[C@@H]32)c1 ZINC000587366877 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@H](O)C[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366880 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@@H](O)C[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366883 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@H](C(=O)C[C@@]5(C)C(=O)CC[C@@H]45)[C@]2(C)C3)c1 ZINC000587366887 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@@H]5CCC(=O)[C@]5(C)CC(=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587366891 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587366893 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]4[C@]2(C)C3)c1 ZINC000587366895 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]4[C@@]2(C)C3)c1 ZINC000587366900 KK Annotated Anodyne CCCCC[C@H](O)/C=C/C1=C(C/C=C/CCCC(=O)O)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587366931 KK Annotated Anodyne CCCCC[C@H](O)/C=C/C1=C(C/C=C\CCCC(=O)O)c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 ZINC000587366933 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@@H](C)O)[C@]2(C)C3)c1 ZINC000587366944 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@@H](C)O)[C@@]2(C)C3)c1 ZINC000587366946 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@H](C)O)[C@@]2(C)C3)c1 ZINC000587366953 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@H](C)O)[C@]2(C)C3)c1 ZINC000587366954 KK Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=Cc5nc6c(oc7ccccc76)c(-c6cccc(OC)c6)c5C[C@@H]4[C@H]3CC[C@@]21CC ZINC000587366955 KK Annotated Mild CCCCCCCCCCc1c(-c2ccc(O)cc2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587366963 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@@H](O)C[C@]5(CO)[C@@H](C(=O)CO)CC[C@@H]45)[C@@]2(C)C3)c1 ZINC000587366970 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@@H](C)C[C@H]4[C@@H]5CC[C@](O)(C(C)=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366987 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccccc3NS(=O)(=O)c3cccs3)nc3c2oc2ccccc23)c1 ZINC000587366995 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C[C@@H](SC(C)=O)[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587366997 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC=C4C5=C(CC[C@H]4[C@@H]2C3)CC2(CC5)OCCO2)c1 ZINC000587366998 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(S(=O)(=O)NCCC(=O)O)c3)nc3c2oc2ccccc23)c1 ZINC000587367001 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc4c5c(c(=O)oc4c3C)CCC5)nc3c2oc2ccccc23)c1 ZINC000587367020 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc4c5c(c(=O)oc4c3C)CCC5)nc3c2oc2ccccc23)c1 ZINC000587367021 KK Annotated Anodyne COc1cccc(-c2cc(COc3cc(C)cc4oc(=O)c5c(c34)CCC5)nc3c2oc2ccccc23)c1 ZINC000587367023 KK Annotated Anodyne COc1cccc(-c2cc(COc3ccc4c5c(c(=O)oc4c3C)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587367031 KK Annotated Anodyne COc1cccc(-c2cc(-c3sc(-c4ccccc4Br)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367046 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(S(=O)(=O)N(C)CCCC(=O)O)cc3)nc3c2oc2ccccc23)c1 ZINC000587367047 KK Annotated Anodyne COc1cccc(-c2cc([C@@]34O[C@@H]3C[C@H]3[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587367052 KK Annotated Mild COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]24CCC(=O)O4)[C@H]13 ZINC000587367054 KK Annotated Anodyne COC(=O)[C@@H]1CC2=Cc3nc4c(oc5ccccc54)c(-c4cccc(OC)c4)c3C[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13 ZINC000587367055 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587367057 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4c(nc5c(oc6ccccc65)c4-c4cccc(OC)c4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587367058 KK Annotated Mild COc1cccc(-c2cc([C@H](C)Oc3ccc4c5c(c(=O)oc4c3C)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587367061 KK Annotated Anodyne COc1cccc(-c2cc([C@@H](C)Oc3ccc4c5c(c(=O)oc4c3C)CCCC5)nc3c2oc2ccccc23)c1 ZINC000587367062 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc4c(c3)OCCOCCOCCOCCOCCO4)nc3c2oc2ccccc23)c1 ZINC000587367071 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc4c(c3)oc(=O)c3ccccc34)nc3c2oc2ccccc23)c1 ZINC000587367074 KK Annotated Bother COc1cccc(-c2cc([C@@H](C)Oc3ccc4c(c3)oc(=O)c3ccccc34)nc3c2oc2ccccc23)c1 ZINC000587367075 KK Annotated Bother CCc1c(-c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367076 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)CC3)c1 ZINC000587367084 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587367086 KK Annotated Anodyne COc1cccc(-c2c(C)c(-c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)nc3c2oc2ccccc23)c1 ZINC000587367087 KK Annotated Anodyne COc1cccc(-c2cc(-c3sc(Nc4cc(OC)ccc4OC)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367130 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)[C@@H](C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]42)[C@@H]2CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]32)c1 ZINC000587367143 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54CO)[C@@H]2C3)c1 ZINC000587367150 KK Annotated Mild COc1cccc(-c2cc([C@@H](C)Oc3ccc4c5c(c(=O)oc4c3)CCC5)nc3c2oc2ccccc23)c1 ZINC000587367173 KK Annotated Anodyne COc1cccc(-c2cc([C@H](C)Oc3ccc4c5c(c(=O)oc4c3)CCC5)nc3c2oc2ccccc23)c1 ZINC000587367185 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587367190 KK Annotated Anodyne COc1cccc(-c2c([C@@H]3[C@@H](O)[C@H]4O[C@@H]5C=C(C)[C@@H](O)C[C@]5(COC(C)=O)[C@]3(C)[C@@]43CO3)c(C)nc3c2oc2ccccc23)c1 ZINC000587367193 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367207 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)Cc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367210 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4c(OC)cc5c(c4oc2=O)[C@@H]2C=CO[C@@H]2O5)C3)c1 ZINC000587367213 KK Annotated Anodyne COc1cccc(-c2cc(-c3c(C)oc4ccc(OCc5ccccc5)cc34)nc3c2oc2ccccc23)c1 ZINC000587367225 KK Annotated Anodyne CCCCCCc1c(-c2cc3c(Br)sc(Br)c3s2)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367229 KK Annotated Anodyne COc1cccc(-c2cc(-c3cccc(N(S(C)(=O)=O)S(C)(=O)=O)c3)nc3c2oc2ccccc23)c1 ZINC000587367247 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587367251 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 ZINC000587367254 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccc(Br)cc4)nc2CC3)c1 ZINC000587367275 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367347 KK Annotated Mild COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587367351 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367356 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587367361 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@]4(C)[C@H](CC[C@]5(C)[C@H](C(=O)CO)CC[C@H]45)[C@@]2(C)C3)c1 ZINC000587367393 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@H]5CC=CC[C@@]54C)[C@@H]2C3)c1 ZINC000587367450 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC2=C(C3)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC2)c1 ZINC000587367463 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@]2(C)[C@H]4CC[C@]5(C)C=CC[C@H]5[C@@H]4CC[C@@H]32)c1 ZINC000587367468 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CCC5=C6CC(C)(C)CC[C@]6(C)CC[C@]54C)[C@@]2(C)C3)c1 ZINC000587367471 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@H]2CC[C@]4(C)[C@H](CCC5=C6CC(C)(C)CC[C@]6(C)CC[C@]54C)[C@@]2(C)C3)c1 ZINC000587367472 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@@H]4C5=C(CC[C@@H]4[C@@H]2C3)CC(=O)CC5)c1 ZINC000587367478 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@H](C(C)=O)CC[C@H]45)[C@@]2(C)C3)c1 ZINC000587367484 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](C(C)=O)CC[C@@H]45)[C@@]2(C)C3)c1 ZINC000587367487 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@@H]4[C@H](CC[C@]5(C)[C@H](C(C)=O)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587367488 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@H]5C(C)=O)[C@@]2(C)C3)c1 ZINC000587367490 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@H]4[C@@H]5CC[C@@H](C(C)=O)[C@@]5(C)CC[C@@H]4[C@]2(C)C3)c1 ZINC000587367493 KK Annotated Anodyne COc1cccc(-c2cc(-c3ccc(OC)c(CSc4nc5ccccc5s4)c3)nc3c2oc2ccccc23)c1 ZINC000587367516 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4Cc5c(nc6c(oc7ccccc76)c5-c5cccc(OC)c5)C=C4CC[C@H]3[C@@H]1CCC2=O ZINC000587367520 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2C3)c1 ZINC000587367531 KK Annotated Mild COc1cccc(-c2cc(-c3sc(N(C(=O)c4ccccc4Cl)C4CC4)nc3C)nc3c2oc2ccccc23)c1 ZINC000587367571 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2sc(-c4ccccc4Br)nc2CC3)c1 ZINC000587367575 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@]4(C)[C@H](CC[C@@]5(C)[C@H]4CC[C@H]5C(=O)CO)[C@]2(C)C3)c1 ZINC000587367626 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@]4(C)[C@H](CC[C@]5(C)[C@H](C(=O)CO)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587367627 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@]4(C)[C@@H]5CC[C@@H](C(=O)CO)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587367628 KK Annotated Anodyne COc1cccc(-c2c([C@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587367641 KK Annotated Anodyne COc1cccc(-c2c([C@@H](c3ccccc3)c3ccccc3O)c(-c3ccccc3)nc3c2oc2ccccc23)c1 ZINC000587367642 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(O)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@H]32)c1 ZINC000587367644 KK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2cc(O)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]32)c1 ZINC000587367645 KK Annotated Clean COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@](O)([C@H](O)CO)[C@@]5(C)CC(=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587367648 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC[C@@H]4[C@H](CC[C@@H]5C[C@H](O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587367649 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587367650 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC[C@@H]4[C@H](CC[C@@H]5C[C@H](O)CC[C@]54C)[C@H]2C3)c1 ZINC000587367651 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC[C@@H]4[C@H](CC[C@@H]5C[C@H](O)CC[C@@]54C)[C@H]2C3)c1 ZINC000587367652 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC[C@@H]4[C@H](CC[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]2C3)c1 ZINC000587367653 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@@H]5C[C@H](O)CC[C@]45C)[C@@H]2C3)c1 ZINC000587367654 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC[C@H]5C[C@H](O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587367655 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C(C)=C[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(O)C(C)=O)[C@H]2C3)c1 ZINC000587367656 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587367657 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2Cc3c(nc4c(oc5ccccc54)c3-c3cccc(OC)c3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587367658 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C(C)(C)[C@@H]2CC[C@]4(C)[C@H](CC[C@@H]5[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]54C)[C@@]2(C)C3)c1 ZINC000587367669 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3ccccc3OC[C@H]3CO3)nc3c2oc2ccccc23)c1 ZINC000587367686 KK Annotated Anodyne COc1cccc(-c2c(Cc3ccccc3)c(-c3ccccc3OC[C@@H]3CO3)nc3c2oc2ccccc23)c1 ZINC000587367687 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](O)C[C@]5(C)[C@H](O)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587367695 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](O)C[C@]5(C)[C@H](O)CC[C@H]45)[C@@]2(C)C3)c1 ZINC000587367696 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CC[C@@H](O)[C@@]5(C)C[C@@H](O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587367697 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H]([C@H](O)C[C@@]5(C)[C@H]4CC[C@H]5O)[C@]2(C)C3)c1 ZINC000587367698 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587367707 KK Annotated Anodyne COc1cccc(-c2c(CC(=O)O)c(-c3ccc4ccc5cccc6ccc3c4c56)nc3c2oc2ccccc23)c1 ZINC000587367722 KK Annotated Bother C/C=C1\c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000587367723 KK Annotated Mild C/C=C1/c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000587367724 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@H]5CC[C@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)[C@@]5(C)CC[C@H]4[C@@]2(C)C3)c1 ZINC000587367730 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@@H](CC[C@]5(C)[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587367732 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@]2(C)C3)c1 ZINC000587367734 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](O[C@H]6O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@H]45)[C@@]2(C)C3)c1 ZINC000587367737 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587367749 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367751 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@@H]5CC[C@@]34C)nc3c2oc2ccccc23)c1 ZINC000587367752 KK Annotated Anodyne COc1cccc(-c2cc([C@@H]3CC[C@@H]4[C@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367754 KK Annotated Anodyne COc1cccc(-c2cc([C@H]3CC[C@@H]4[C@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367755 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587367759 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@H]4[C@@H]5CC=C[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 ZINC000587367777 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]2(C)C3)c1 ZINC000587367795 KK Annotated Anodyne COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]4(C)C(=O)CC[C@H]4[C@H]32)c1 ZINC000587367801 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC(=O)[C@@H]4[C@H](CCC5=CC(=O)CC[C@]54C)[C@H]2C3)c1 ZINC000587367808 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC(=O)[C@@H]4[C@H](CCC5=CC(=O)CC[C@@]54C)[C@H]2C3)c1 ZINC000587367809 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC(=O)[C@@H]4[C@H](CCC5=CC(=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587367810 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@]2(C)CC(=O)[C@@H]4[C@H](CCC5=CC(=O)CC[C@]54C)[C@@H]2C3)c1 ZINC000587367811 KK Annotated Mild COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC(=O)[C@H]4[C@@H](CCC5=CC(=O)CC[C@@]54C)[C@@H]2C3)c1 ZINC000587367812 KK Annotated Mild COc1cccc(-c2c(C3C(=O)CC(C)(C)CC3=O)c(-c3ccc(C)cc3)nc3c2oc2ccccc23)c1 ZINC000587367861 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1Cc1c2nc2c(oc3ccccc32)c1-c1cccc(OC)c1 ZINC000587367882 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@@H]6[C@H]5CC[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367883 KK Annotated Mild COc1cccc(-c2cc([C@H]3CC[C@H]4[C@@H]5CC[C@H]6CC(=O)CC[C@]6(C)[C@H]5C(=O)C[C@]34C)nc3c2oc2ccccc23)c1 ZINC000587367888 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4nc(O)nc(O)c4cc3[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000587367985 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4nc(O)nc(O)c4cc3[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000587367986 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4nc(O)nc(O)c4cc3[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F ZINC000587367987 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C(c3nc4nc(O)nc(O)c4cc3[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1F ZINC000587367988 KK Annotated Anodyne CC(=O)O[C@]1(c2ccc3c(O)nc(O)nc3n2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587368284 KK Annotated Mild Oc1nc(O)c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2n1 ZINC000587368468 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6nc(O)nc(O)c6cc5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587368566 KK Annotated Reactive COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1ncccn1 ZINC000587368818 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1ncccn1 ZINC000587368819 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1ncccn1 ZINC000587368820 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1ncccn1 ZINC000587368822 KK Annotated Anodyne CCCCCCc1cc2c(O)nc(O)nc2nc1-c1sc2c(Br)sc(Br)c2c1F ZINC000587368905 KK Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587368981 KK Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587368984 KK Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587368985 KK Annotated Anodyne CC1CCN(S(=O)(=O)c2ccc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)CC1 ZINC000587368987 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587368993 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587368997 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587368999 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369001 KK Annotated Anodyne CC(=O)O[C@]1(c2ccc3c(O)nc(O)nc3n2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587369093 KK Annotated Reactive Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369163 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369164 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369165 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369166 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587369181 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587369182 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587369183 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587369184 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587369211 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccc(F)cc1 ZINC000587369212 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587369213 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 ZINC000587369214 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369342 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369343 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369344 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369345 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369369 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369370 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369371 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369372 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369401 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369402 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369403 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369404 KK Annotated Reactive COc1cccc(SC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC ZINC000587369406 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC ZINC000587369407 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC ZINC000587369408 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC ZINC000587369409 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369411 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369412 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369413 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369414 KK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587369419 KK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587369420 KK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587369421 KK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587369422 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369428 KK Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369429 KK Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369430 KK Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369431 KK Annotated Reactive Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369453 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369454 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369455 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369456 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccccn2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369463 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccccn2)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369464 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccccn2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369465 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccccn2)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369466 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587369468 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587369469 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587369470 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc32)cc1 ZINC000587369471 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587369498 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587369499 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587369500 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587369501 KK Annotated Reactive Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)cc1 ZINC000587369504 KK Annotated Mild Cc1ccc(S(=O)(=O)OCC2CCC3(CC2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)cc1 ZINC000587369505 KK Annotated Mild COc1ccc2nc(SC[C@]3(c4ccc(O)c(O)c4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[nH]c2c1 ZINC000587369510 KK Annotated Clean COc1ccc2nc(SC[C@@]3(c4ccc(O)c(O)c4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[nH]c2c1 ZINC000587369511 KK Annotated Clean COc1ccc2nc(SC[C@@]3(c4ccc(O)c(O)c4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[nH]c2c1 ZINC000587369512 KK Annotated Clean COc1ccc2nc(SC[C@]3(c4ccc(O)c(O)c4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[nH]c2c1 ZINC000587369513 KK Annotated Clean CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369537 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369538 KK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369539 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369540 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587369546 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587369547 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369553 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369554 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587369555 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587369556 KK Annotated Anodyne C[C@@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369588 KK Annotated Anodyne C[C@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369589 KK Annotated Anodyne C[C@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369590 KK Annotated Anodyne C[C@@]1(c2ccccc2NS(=O)(=O)c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369591 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587369595 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587369596 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587369597 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c(C)nn2C)cc1 ZINC000587369598 KK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccccc1Cl ZINC000587369601 KK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccccc1Cl ZINC000587369602 KK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)Nc1ccccc1Cl ZINC000587369603 KK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)Nc1ccccc1Cl ZINC000587369604 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369652 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369653 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369654 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369655 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CSc2ccccn2)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587369660 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccccn2)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587369661 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)[C@H]1c1ccc(F)cc1 ZINC000587369662 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccccn2)(c2ccc3ccccc3c2)[C@@H]1c1ccc(F)cc1 ZINC000587369663 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369721 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369722 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369723 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587369724 KK Annotated Anodyne O=C1[C@H](Cc2cc3c(O)nc(O)nc3nc2-c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587369730 KK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369747 KK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369748 KK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369749 KK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369750 KK Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369783 KK Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369784 KK Annotated Anodyne Cn1c(CO)cnc1SC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369785 KK Annotated Anodyne Cn1c(CO)cnc1SC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369786 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587369791 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587369792 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587369793 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000587369794 KK Annotated Reactive Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c1C ZINC000587369802 KK Annotated Anodyne Cc1nc(SC[C@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c1C ZINC000587369803 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c1C ZINC000587369804 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3c[nH]c4ccccc34)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c1C ZINC000587369805 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369810 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369811 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369812 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369813 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1nncn1C ZINC000587369814 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1nncn1C ZINC000587369815 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1nncn1C ZINC000587369816 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1nncn1C ZINC000587369817 KK Annotated Anodyne C[C@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369818 KK Annotated Anodyne C[C@@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369819 KK Annotated Anodyne C[C@@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369820 KK Annotated Anodyne C[C@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369821 KK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369838 KK Annotated Anodyne C[C@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369839 KK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369840 KK Annotated Anodyne C[C@@]1(c2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369841 KK Annotated Anodyne C[C@@]1(CSc2nnc(-c3cccc(Br)c3)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369918 KK Annotated Anodyne C[C@@]1(CSc2nnc(-c3cccc(Br)c3)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369919 KK Annotated Anodyne C[C@]1(CSc2nnc(-c3cccc(Br)c3)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369920 KK Annotated Anodyne C[C@]1(CSc2nnc(-c3cccc(Br)c3)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369921 KK Annotated Anodyne O=C1[C@H](Cc2cc3c(O)nc(O)nc3nc2-c2ccc(F)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587369923 KK Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369934 KK Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587369935 KK Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369936 KK Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587369937 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369946 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587369947 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369948 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 ZINC000587369949 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370013 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370016 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370018 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370020 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370036 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370039 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370042 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370043 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc31)O2 ZINC000587370060 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc31)O2 ZINC000587370061 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587370114 KK Annotated Mild O=C1c2ccc(O)cc2O[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587370115 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)[C@H]1c1ccc(F)cc1 ZINC000587370116 KK Annotated Mild O=C1c2ccc(O)cc2O[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)[C@@H]1c1ccc(F)cc1 ZINC000587370117 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370147 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370148 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370149 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587370150 KK Annotated Mild O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587370175 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000587370176 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587370177 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587370178 KK Annotated Reactive COc1ccc([C@]2(CSc3n[nH]c(C)n3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587370218 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587370222 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br ZINC000587370223 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br ZINC000587370224 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)CC(=O)c5cc(C)cc(N)c5O3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587370240 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)CC(=O)c5cc(C)cc(N)c5O3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587370241 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587370252 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1Br ZINC000587370253 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC ZINC000587370298 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000587370299 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC ZINC000587370301 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC ZINC000587370303 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)O2 ZINC000587370304 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)O2 ZINC000587370307 KK Annotated Reactive Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587370341 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587370342 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587370343 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587370344 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370346 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370348 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370349 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370350 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370351 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370352 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370353 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 ZINC000587370354 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370371 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 ZINC000587370372 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370373 KK Annotated Clean O=C1c2ccc(O)cc2O[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 ZINC000587370374 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370375 KK Annotated Clean O=C1c2ccc(O)cc2O[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)[C@@H]1c1ccc(F)cc1 ZINC000587370376 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370377 KK Annotated Clean O=C1c2ccc(O)cc2O[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)[C@H]1c1ccc(F)cc1 ZINC000587370378 KK Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000587370403 KK Annotated Anodyne COC(=O)c1c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000587370406 KK Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000587370408 KK Annotated Anodyne COC(=O)c1c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2c1CCC2 ZINC000587370410 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370420 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370421 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370423 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370426 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587370481 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)[C@H]1c1ccc(F)cc1 ZINC000587370482 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587370483 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)[C@@H]1c1ccc(F)cc1 ZINC000587370484 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(Br)cc2C(=O)c2ccc(Br)cc21 ZINC000587370507 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(Br)cc2C(=O)c2ccc(Br)cc21 ZINC000587370508 KK Annotated Anodyne C[C@]1(c2cc(Br)c(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370617 KK Annotated Anodyne C[C@@]1(c2cc(Br)c(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370622 KK Annotated Anodyne C[C@@]1(c2cc(Br)c(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370623 KK Annotated Anodyne C[C@]1(c2cc(Br)c(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370628 KK Annotated Anodyne N#CCc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587370631 KK Annotated Mild N#CCc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587370633 KK Annotated Mild N#CCc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587370635 KK Annotated Mild N#CCc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587370637 KK Annotated Mild COc1ccc(Br)c2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C(=O)OC(C)(C)C)c12 ZINC000587370654 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn(C(=O)OC(C)(C)C)c12 ZINC000587370656 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587370660 KK Annotated Bother O=C1c2ccc(O)cc2O[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587370661 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)[C@H]1c1ccc(F)cc1 ZINC000587370662 KK Annotated Bother O=C1c2ccc(O)cc2O[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)[C@@H]1c1ccc(F)cc1 ZINC000587370663 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587370683 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccc(Cl)cc1Cl)O2 ZINC000587370684 KK Annotated Anodyne COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370787 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370790 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587370792 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587370798 KK Annotated Mild Nc1sc2c(c1[C@]1(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587370800 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587370803 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587370805 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc4c(c3)OCO4)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587370809 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370844 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370850 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370851 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370853 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587370875 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587370880 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587370882 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587370884 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCC ZINC000587370887 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCC ZINC000587370890 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OCC ZINC000587370892 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OCC ZINC000587370894 KK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370915 KK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587370919 KK Annotated Anodyne CC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370921 KK Annotated Anodyne CC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587370922 KK Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587370925 KK Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587370927 KK Annotated Anodyne Cc1ncsc1CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587370929 KK Annotated Anodyne Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587370930 KK Annotated Clean Cc1ncsc1CCN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 ZINC000587370931 KK Annotated Anodyne Cc1cc(C)nc(SC[C@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587370932 KK Annotated Clean Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587370934 KK Annotated Clean Cc1cc(C)nc(SC[C@@]2(c3ccc(O)c(O)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587370935 KK Annotated Clean Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c1C ZINC000587370963 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c1C ZINC000587370969 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]c1C ZINC000587370974 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]c1C ZINC000587370978 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n[nH]1 ZINC000587370984 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n[nH]1 ZINC000587370987 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n[nH]1 ZINC000587370989 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n[nH]1 ZINC000587370992 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587371011 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587371027 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587371028 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 ZINC000587371030 KK Annotated Anodyne COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587371065 KK Annotated Anodyne COc1ccc(O)c([C@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587371069 KK Annotated Anodyne COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587371072 KK Annotated Anodyne COc1ccc(O)c([C@@]2(c3cnn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587371076 KK Annotated Anodyne CCOC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371118 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371120 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371121 KK Annotated Anodyne CCOC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587371122 KK Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371128 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371131 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371136 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371139 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2c(-c3ccccc3)c(O)nc3c(C)cc(Br)c1c23 ZINC000587371142 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2c(-c3ccccc3)c(O)nc3c(C)cc(Br)c1c23 ZINC000587371143 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587371157 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587371159 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3cccc(Br)c3)nc1C13CC4CC(CC(C4)C1)C3)O2 ZINC000587371188 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3cccc(Br)c3)nc1C13CC4CC(CC(C4)C1)C3)O2 ZINC000587371191 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(Br)cc1)O2 ZINC000587371211 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(Br)cc1)O2 ZINC000587371219 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 ZINC000587371290 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)O2 ZINC000587371295 KK Annotated Bother O=C(O)CCC(=O)Nc1nnc(SC[C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371307 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371310 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371311 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371312 KK Annotated Anodyne N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371362 KK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371363 KK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371364 KK Annotated Reactive N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371365 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371370 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371373 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371374 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371375 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)O2 ZINC000587371402 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)O2 ZINC000587371403 KK Annotated Reactive N#CN=c1sc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1-c1cccc(Br)c1 ZINC000587371404 KK Annotated Anodyne N#CN=c1sc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1-c1cccc(Br)c1 ZINC000587371405 KK Annotated Anodyne N#CN=c1sc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1-c1cccc(Br)c1 ZINC000587371406 KK Annotated Anodyne N#CN=c1sc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1-c1cccc(Br)c1 ZINC000587371407 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371426 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371428 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371430 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3[C@H]3CC[C@H]4C3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371431 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)[C@H](Br)c1ccccc1)O2 ZINC000587371498 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)[C@H](Br)c1ccccc1)O2 ZINC000587371500 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)[C@@H](Br)c1ccccc1)O2 ZINC000587371502 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)[C@@H](Br)c1ccccc1)O2 ZINC000587371503 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000587371604 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000587371608 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccc(Br)cc1)O2 ZINC000587371618 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccc(Br)cc1)O2 ZINC000587371620 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371625 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371630 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371631 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371633 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)c(O)cc2O1 ZINC000587371635 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)c(O)cc2O1 ZINC000587371636 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(C)c(O)cc2O1 ZINC000587371639 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(C)c(O)cc2O1 ZINC000587371642 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371650 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371653 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371657 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371659 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371670 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371676 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371679 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371682 KK Annotated Anodyne Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 ZINC000587371697 KK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 ZINC000587371701 KK Annotated Reactive Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 ZINC000587371703 KK Annotated Reactive Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 ZINC000587371705 KK Annotated Reactive C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371791 KK Annotated Mild C=CCNc1nc(N)c([C@@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371793 KK Annotated Mild CC1(C)CCc2c(sc(N)c2[C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587371794 KK Annotated Anodyne C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587371795 KK Annotated Mild CC1(C)CCc2c(sc(N)c2[C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587371796 KK Annotated Anodyne C=CCNc1nc(N)c([C@]2(c3ccc(C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587371797 KK Annotated Mild CC1(C)CCc2c(sc(N)c2[C@@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587371798 KK Annotated Anodyne CC1(C)CCc2c(sc(N)c2[C@]2(c3ccncc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587371801 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587371807 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587371811 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587371812 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@H]1c1ccc(F)cc1 ZINC000587371814 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@@H]1c1ccc(F)cc1 ZINC000587371816 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587371817 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587371819 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587371822 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371869 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371873 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCOC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587371876 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCOC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587371878 KK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371892 KK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587371894 KK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371896 KK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371898 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)O2 ZINC000587371969 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)O2 ZINC000587371970 KK Annotated Reactive COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587371999 KK Annotated Reactive COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372006 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372008 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372009 KK Annotated Reactive Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587372078 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc(C)c1C ZINC000587372079 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587372082 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587372083 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc(C)c1C ZINC000587372084 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587372085 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc(C)c1C ZINC000587372086 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc(C)c1C ZINC000587372089 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587372142 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)[C@H]1c1ccc(F)cc1 ZINC000587372146 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)C(C)(C)c1cc(Br)ccc1-3 ZINC000587372148 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587372151 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)[C@@H]1c1ccc(F)cc1 ZINC000587372154 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)C(C)(C)c1cc(Br)ccc1-3 ZINC000587372164 KK Annotated Anodyne N#C[C@H](c1nc2ccccc2s1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372203 KK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372206 KK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372209 KK Annotated Mild N#C[C@H](c1nc2ccccc2s1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372211 KK Annotated Mild COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC ZINC000587372214 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC ZINC000587372218 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1OC ZINC000587372219 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1OC ZINC000587372225 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2sccc2Br)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587372278 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2sccc2Br)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587372280 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](c2sccc2Br)(C2CCCCC2)[C@@H]1c1ccc(F)cc1 ZINC000587372284 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](c2sccc2Br)(C2CCCCC2)[C@H]1c1ccc(F)cc1 ZINC000587372287 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1OC ZINC000587372320 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)(c1ccccc1C(=O)O)O2 ZINC000587372323 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1OC ZINC000587372326 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)(c1ccccc1C(=O)O)O2 ZINC000587372328 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587372350 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587372352 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587372405 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587372409 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587372411 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587372412 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587372460 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587372462 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587372464 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587372467 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372499 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587372501 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372503 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587372506 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1OC ZINC000587372552 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1OC ZINC000587372557 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C1 ZINC000587372563 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C1 ZINC000587372565 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C1 ZINC000587372567 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C1 ZINC000587372569 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc31)O2 ZINC000587372615 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc31)O2 ZINC000587372621 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc31)O2 ZINC000587372627 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc31)O2 ZINC000587372630 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587372633 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587372636 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587372638 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587372640 KK Annotated Reactive COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587372679 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587372689 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372871 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587372880 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587373029 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587373030 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587373032 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587373034 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cn3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587373057 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cn3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587373058 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cn3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587373059 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cn3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587373060 KK Annotated Anodyne CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373075 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373077 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373079 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373080 KK Annotated Mild Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373085 KK Annotated Reactive Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373090 KK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373091 KK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373092 KK Annotated Reactive COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)ccc32)cc1)C(=O)OC ZINC000587373152 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)ccc32)cc1)C(=O)OC ZINC000587373159 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)ccc32)cc1)C(=O)OC ZINC000587373163 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)ccc32)cc1)C(=O)OC ZINC000587373167 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587373198 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587373201 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587373203 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587373205 KK Annotated Anodyne CSc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587373285 KK Annotated Bother CSc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587373287 KK Annotated Bother CSc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587373288 KK Annotated Bother CSc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000587373289 KK Annotated Bother COC1=COC(COc2ccc(SC)cc2)=C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587373290 KK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 ZINC000587373292 KK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587373294 KK Annotated Anodyne COC1=COC(COc2ccc(SC)cc2)=C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 ZINC000587373297 KK Annotated Anodyne COC(=O)c1ccc([C@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373323 KK Annotated Reactive COC(=O)c1ccc([C@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373325 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373327 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373328 KK Annotated Reactive Cc1nc(-c2ccccc2Br)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373351 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373352 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587373353 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587373355 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)C(=O)c1ccccc1 ZINC000587373356 KK Annotated Anodyne CCOC(=O)[C@@H](C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)C(=O)c1ccccc1 ZINC000587373357 KK Annotated Anodyne CCOC(=O)[C@@H](C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)C(=O)c1ccccc1 ZINC000587373359 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1)C(=O)c1ccccc1 ZINC000587373360 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]1)O2 ZINC000587373396 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C ZINC000587373398 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]1)O2 ZINC000587373399 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C ZINC000587373400 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc1Cl)O2 ZINC000587373417 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc1Cl)O2 ZINC000587373422 KK Annotated Anodyne C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587373530 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587373532 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587373535 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587373539 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o1)O2 ZINC000587373566 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o1)O2 ZINC000587373569 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373811 KK Annotated Reactive CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373814 KK Annotated Reactive CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373817 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Br)c(Br)cc21 ZINC000587373818 KK Annotated Anodyne CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373820 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Br)c(Br)cc21 ZINC000587373821 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587373855 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587373859 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587373862 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2[nH]1 ZINC000587373864 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373869 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373872 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373874 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCS(=O)(=O)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373878 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc31)O2 ZINC000587373887 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc31)O2 ZINC000587373890 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccc(Br)cc1 ZINC000587373893 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCOc1ccc(Br)cc1 ZINC000587373895 KK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373964 KK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373969 KK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587373971 KK Annotated Anodyne Nc1nc(-c2ccccc2)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587373974 KK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373977 KK Annotated Anodyne CSc1ccc([C@@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373981 KK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587373984 KK Annotated Anodyne CSc1ccc([C@]2(C(C)(C)N3CCOCC3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587373985 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374031 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374047 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374049 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374052 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374056 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374058 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374108 KK Annotated Reactive COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587374111 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587374112 KK Annotated Reactive COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587374115 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587374118 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587374121 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374133 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374135 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374137 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374138 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587374139 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587374140 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)[C@H]1c1ccc(F)cc1 ZINC000587374141 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587374142 KK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587374153 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587374154 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587374155 KK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587374156 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC000587374236 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC000587374244 KK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C#N)c1 ZINC000587374246 KK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C#N)c1 ZINC000587374249 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587374268 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587374274 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587374386 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587374388 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587374391 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587374394 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374403 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(O)ccc5C(=O)[C@@H]4c4ccc(F)cc4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587374406 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000587374412 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000587374416 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccc(Br)cc1)(c1ccc(Br)cc1)O2 ZINC000587374448 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccc(Br)cc1)(c1ccc(Br)cc1)O2 ZINC000587374451 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374458 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374461 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587374465 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587374469 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)O2 ZINC000587374470 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)O2 ZINC000587374476 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)[C@H]1c1ccc(F)cc1 ZINC000587374485 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587374487 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccccc4Br)sc32)[C@H]1c1ccc(F)cc1 ZINC000587374495 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(-c4ccccc4Br)sc32)[C@@H]1c1ccc(F)cc1 ZINC000587374499 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374530 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374531 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374532 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374534 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587374566 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587374568 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587374571 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587374574 KK Annotated Anodyne CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587374603 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587374615 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587374623 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1-2 ZINC000587374632 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn1C)(c1ccccc1)O2 ZINC000587374722 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COc1c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn1C)(c1ccccc1)O2 ZINC000587374731 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C(Br)Br)O2 ZINC000587374781 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C(Br)Br)O2 ZINC000587374788 KK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374799 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374803 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587374807 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587374811 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587375076 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587375078 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587375169 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587375170 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587375171 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587375172 KK Annotated Reactive O=C(O)CCC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375187 KK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375189 KK Annotated Anodyne O=C(O)CCC[C@@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375191 KK Annotated Anodyne O=C(O)CCC[C@]1(c2ccc(Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375193 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375314 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375316 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375318 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375320 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl ZINC000587375387 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl ZINC000587375388 KK Annotated Reactive COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1nc2ccccc2s1 ZINC000587375459 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1nc2ccccc2s1 ZINC000587375460 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1CSc1nc2ccccc2s1 ZINC000587375462 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1CSc1nc2ccccc2s1 ZINC000587375463 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)O2 ZINC000587375465 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)O2 ZINC000587375467 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2nc3ccccc3s2)(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 ZINC000587375503 KK Annotated Anodyne O=C1c2ccc(O)cc2OC(c2nc3ccccc3s2)(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 ZINC000587375507 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375516 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587375517 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2cccs2)(C(Br)Br)[C@H]1c1ccc(F)cc1 ZINC000587375518 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](c2cccs2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587375519 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 ZINC000587375521 KK Annotated Reactive CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375530 KK Annotated Reactive CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375533 KK Annotated Reactive CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375540 KK Annotated Reactive Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCSC2 ZINC000587375611 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587375621 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCSC2 ZINC000587375625 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCSC2 ZINC000587375627 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)O2 ZINC000587375629 KK Annotated Anodyne Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375633 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375635 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375636 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375639 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(OCc3ccccc3)c(Br)c1)O2 ZINC000587375650 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(OCc3ccccc3)c(Br)c1)O2 ZINC000587375653 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375750 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375751 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccccc3Br)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587375752 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccccc3Br)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587375753 KK Annotated Anodyne CN1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Cl)cc2S1(=O)=O ZINC000587375754 KK Annotated Anodyne CN1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(Cl)cc2S1(=O)=O ZINC000587375755 KK Annotated Anodyne CN1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Cl)cc2S1(=O)=O ZINC000587375757 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375758 KK Annotated Anodyne CN1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(Cl)cc2S1(=O)=O ZINC000587375759 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587375760 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1OCC ZINC000587375785 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1OCC ZINC000587375786 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)cc1OCC ZINC000587375791 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)cc1OCC ZINC000587375794 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCSC2 ZINC000587375811 KK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 ZINC000587375828 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 ZINC000587375829 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 ZINC000587375830 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 ZINC000587375831 KK Annotated Reactive COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375836 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375837 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587375838 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587375839 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587375919 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587375922 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587375925 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1S2 ZINC000587375928 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)O2 ZINC000587375964 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)O2 ZINC000587375971 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)O2 ZINC000587375999 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)O2 ZINC000587376000 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1Br ZINC000587376015 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Cl)cc1Br ZINC000587376019 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587376059 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587376064 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587376125 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587376127 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](Cc2ccccc2)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 ZINC000587376128 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@@](Cc2ccccc2)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 ZINC000587376130 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376132 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587376135 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376138 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587376141 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 ZINC000587376143 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 ZINC000587376144 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 ZINC000587376148 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 ZINC000587376151 KK Annotated Reactive CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587376199 KK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 ZINC000587376202 KK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587376203 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 ZINC000587376204 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587376241 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1OC ZINC000587376242 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587376258 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587376260 KK Annotated Anodyne O=C(O)CC1(C[C@]2(c3ccc(Cl)s3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000587376287 KK Annotated Anodyne O=C(O)CC1(C[C@]2(c3ccc(Cl)s3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000587376289 KK Annotated Anodyne O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587376294 KK Annotated Reactive O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587376303 KK Annotated Reactive O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 ZINC000587376305 KK Annotated Reactive O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 ZINC000587376307 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc13)O2 ZINC000587376318 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc13)O2 ZINC000587376320 KK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587376352 KK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587376353 KK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587376354 KK Annotated Anodyne Cc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587376355 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)O2 ZINC000587376358 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)O2 ZINC000587376359 KK Annotated Reactive O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@]3(CS[C@H]12)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587376364 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@]3(CS[C@H]12)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587376365 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@]3(CS[C@H]12)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 ZINC000587376366 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@]3(CS[C@H]12)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 ZINC000587376367 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587376374 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587376375 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000587376376 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000587376377 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376381 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376382 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376383 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376384 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587376385 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587376386 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587376387 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3cccc(Cl)c3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587376388 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376401 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376402 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376403 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376404 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN1CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC1)(c1ccc3nc(O)oc3c1)O2 ZINC000587376419 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCN1CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC1)(c1ccc3nc(O)oc3c1)O2 ZINC000587376420 KK Annotated Anodyne O=C(O)CC1(C[C@@]2(c3ccc(Cl)s3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCCCC1 ZINC000587376473 KK Annotated Anodyne O=C(O)CC1(C[C@@]2(c3ccc(Cl)s3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCCCC1 ZINC000587376475 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587376572 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 ZINC000587376589 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587376592 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 ZINC000587376595 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587376754 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587376760 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587376763 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)O2 ZINC000587376766 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376782 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587376790 KK Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n2)cc1OC ZINC000587376794 KK Annotated Reactive COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376795 KK Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n2)cc1OC ZINC000587376799 KK Annotated Reactive COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587376800 KK Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n2)cc1OC ZINC000587376803 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n2)cc1OC ZINC000587376806 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587376849 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Br)[C@H]1c1ccc(F)cc1 ZINC000587376852 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587376853 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 ZINC000587376857 KK Annotated Reactive Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587376919 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCC2 ZINC000587376920 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587376921 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCC2 ZINC000587376922 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587376959 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 ZINC000587376960 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587376961 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000587376962 KK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587377104 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587377106 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 ZINC000587377108 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 ZINC000587377109 KK Annotated Reactive CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587377132 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587377135 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587377138 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587377141 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccccc1)O2 ZINC000587377229 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3c(Br)cc(Br)cc3Br)o1)O2 ZINC000587377230 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccccc1)O2 ZINC000587377232 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3c(Br)cc(Br)cc3Br)o1)O2 ZINC000587377246 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)CC(=O)c4cc(C)cc(N)c4O3)c(C)nn2C)cc1 ZINC000587377352 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)CC(=O)c4cc(C)cc(N)c4O3)c(C)nn2C)cc1 ZINC000587377353 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587377445 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587377447 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587377449 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl ZINC000587377450 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377466 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377484 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377489 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Cl)s3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377491 KK Annotated Anodyne CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377544 KK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377547 KK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377549 KK Annotated Reactive CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377551 KK Annotated Reactive C[C@]1(c2scc(Br)c2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377554 KK Annotated Anodyne C[C@@]1(c2scc(Br)c2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377556 KK Annotated Anodyne C[C@@]1(c2scc(Br)c2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377558 KK Annotated Anodyne C[C@]1(c2scc(Br)c2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377560 KK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377571 KK Annotated Anodyne CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377576 KK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587377580 KK Annotated Anodyne CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587377583 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 ZINC000587377722 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 ZINC000587377725 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 ZINC000587377727 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 ZINC000587377728 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587377874 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587377876 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CCl)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 ZINC000587377882 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 ZINC000587377901 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CCl)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 ZINC000587377903 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CCl)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 ZINC000587377906 KK Annotated Reactive Cc1ccc([C@@]2(c3ccc(Br)s3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377927 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)cc(Br)c1OCc1ccccc1)O2 ZINC000587377928 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)cc(Br)c1OCc1ccccc1)O2 ZINC000587377930 KK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377932 KK Annotated Anodyne Cc1ccc([C@]2(c3ccc(Br)s3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000587377936 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccc(Br)s3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000587377939 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587377943 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587377959 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587377964 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587377967 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587377999 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587378005 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587378007 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587378011 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378029 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378037 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378042 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378046 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587378061 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C ZINC000587378067 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587378068 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C ZINC000587378069 KK Annotated Reactive O=C1c2ccc(O)cc2OC2(CCN(Cc3cc(Br)cs3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000587378110 KK Annotated Anodyne O=C1c2ccc(O)cc2OC2(CCN(Cc3cc(Br)cs3)CC2)[C@H]1c1ccc(F)cc1 ZINC000587378111 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587378316 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587378319 KK Annotated Clean C[C@@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378455 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378456 KK Annotated Anodyne C[C@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378457 KK Annotated Anodyne C[C@@]1(c2ccc(-c3ccc(Br)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378458 KK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)c1 ZINC000587378464 KK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)c1 ZINC000587378465 KK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)c1 ZINC000587378466 KK Annotated Anodyne COc1ccc(OC)c(Nc2ncc([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)c1 ZINC000587378467 KK Annotated Anodyne C[C@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378490 KK Annotated Anodyne C[C@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378491 KK Annotated Anodyne C[C@@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378492 KK Annotated Anodyne C[C@@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378493 KK Annotated Anodyne O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccn3)s2)[C@@H]1c1ccc(F)cc1 ZINC000587378510 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccn3)s2)[C@@H]1c1ccc(F)cc1 ZINC000587378511 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccn3)s2)[C@H]1c1ccc(F)cc1 ZINC000587378512 KK Annotated Reactive O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccn3)s2)[C@H]1c1ccc(F)cc1 ZINC000587378513 KK Annotated Reactive COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Br)cc1Cl ZINC000587378531 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1ccc(Br)cc1Cl ZINC000587378532 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Br)cc(Br)cc1Br ZINC000587378533 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COc1c(Br)cc(Br)cc1Br ZINC000587378534 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)cc1Br)O2 ZINC000587378640 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)cc1Br)O2 ZINC000587378649 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378658 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378661 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378662 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378664 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378667 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378673 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378675 KK Annotated Anodyne CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O)[C@H]1OC(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378678 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587378689 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587378692 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587378699 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587378701 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)C)cc1)O2 ZINC000587378747 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)C)cc1)O2 ZINC000587378753 KK Annotated Anodyne CC(C)(C)[C@]1(CSc2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378795 KK Annotated Anodyne CC(C)(C)[C@@]1(CSc2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378804 KK Annotated Anodyne CC(C)(C)[C@@]1(CSc2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587378806 KK Annotated Anodyne CC(C)(C)[C@]1(CSc2nc(-c3ccccc3)cs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587378810 KK Annotated Anodyne Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378823 KK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378825 KK Annotated Clean Cc1cnc(SC[C@@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 ZINC000587378827 KK Annotated Clean Cc1cnc(SC[C@]2(c3ccc(Cl)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 ZINC000587378829 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)C)cc1)O2 ZINC000587379182 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)C)cc1)O2 ZINC000587379190 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)c1 ZINC000587379206 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)c1 ZINC000587379212 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)c1 ZINC000587379215 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)c1 ZINC000587379218 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)C2CC2)cc1 ZINC000587379220 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)C2CC2)cc1 ZINC000587379223 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)s2)C2CC2)cc1 ZINC000587379225 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)s2)C2CC2)cc1 ZINC000587379228 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Cc2ccccc2)=C([C@H](NC(=O)OC(C)(C)C)C(C)C)Oc2cc(Cl)ccc21 ZINC000587379258 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Cc2ccccc2)=C([C@H](NC(=O)OC(C)(C)C)C(C)C)Oc2cc(Cl)ccc21 ZINC000587379262 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379346 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379347 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379348 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379349 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587379366 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587379367 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl)O2 ZINC000587379526 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl)O2 ZINC000587379529 KK Annotated Mild CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587379554 KK Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 ZINC000587379559 KK Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587379562 KK Annotated Anodyne CCOC(=O)N1CCN([C@H](C)[C@]2(c3cccs3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 ZINC000587379566 KK Annotated Anodyne Nc1sccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379628 KK Annotated Anodyne Nc1sccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379631 KK Annotated Anodyne Nc1sccc1[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379632 KK Annotated Anodyne Nc1sccc1[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379634 KK Annotated Anodyne O=C(O)CC[C@]1(c2sc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379727 KK Annotated Anodyne O=C(O)CC[C@@]1(c2sc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 ZINC000587379732 KK Annotated Anodyne O=C(O)CC[C@@]1(c2sc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379734 KK Annotated Anodyne O=C(O)CC[C@]1(c2sc(Cl)c(Cl)c2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 ZINC000587379736 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccccc1)O2 ZINC000587379748 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccccc1)O2 ZINC000587379755 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccccc1)O2 ZINC000587379757 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccccc1)O2 ZINC000587379759 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380006 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380007 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380008 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380009 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380010 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380011 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380012 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587380013 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587380045 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587380046 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380058 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587380059 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587380091 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587380092 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc13)O2 ZINC000587380136 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc13)O2 ZINC000587380137 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587380165 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O2 ZINC000587380169 KK Annotated Mild COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380286 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380287 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(F)(F)F)cc1Br)(c1c(N)sc3c1CCC3)O2 ZINC000587380426 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(F)(F)F)cc1Br)(c1c(N)sc3c1CCC3)O2 ZINC000587380429 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(cc(OCC(=O)O)c(Cl)c2Cl)C[C@]1(C)C1CCCC1 ZINC000587380456 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(cc(OCC(=O)O)c(Cl)c2Cl)C[C@]1(C)C1CCCC1 ZINC000587380459 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)C(=O)[C@@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587380464 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)C(=O)[C@@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587380465 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)C(=O)[C@@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587380466 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)C(=O)[C@@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587380468 KK Annotated Clean CCOC(=O)CC[C@]1(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380469 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587380470 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587380471 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587380472 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587380473 KK Annotated Clean CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380475 KK Annotated Anodyne CCOC(=O)CC[C@]1(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380476 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587380477 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587380770 KK Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587380771 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o1)O2 ZINC000587380780 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o1)O2 ZINC000587380781 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587381109 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587381110 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)s1 ZINC000587381131 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)s1 ZINC000587381132 KK Annotated Anodyne COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381148 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381149 KK Annotated Mild COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381150 KK Annotated Mild COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587381151 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C)c3ccccc13)(c1cn(CCCCCF)c3ccccc13)O2 ZINC000587381171 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C)c3ccccc13)(c1cn(CCCCCF)c3ccccc13)O2 ZINC000587381172 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1cc(Br)ccc1F)(c1cc(Br)ccc1F)O2 ZINC000587381337 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1cc(Br)ccc1F)(c1cc(Br)ccc1F)O2 ZINC000587381338 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587381414 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587381415 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587381416 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587381417 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2 ZINC000587381431 KK Annotated Mild COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587381565 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3cc(C)cc(N)c3O2)cc1F ZINC000587381568 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587381602 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OC ZINC000587381604 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)O2 ZINC000587381636 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)O2 ZINC000587381641 KK Annotated Reactive COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587381681 KK Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587381682 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(F)ccc(N[S@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)O2 ZINC000587381824 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(F)ccc(N[S@@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)O2 ZINC000587381827 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(F)ccc(N[S@@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)O2 ZINC000587381829 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(F)ccc(N[S@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)O2 ZINC000587381830 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587381952 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587381953 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)O2 ZINC000587382067 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)O2 ZINC000587382070 KK Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382380 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382387 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1)O2 ZINC000587382530 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1)O2 ZINC000587382531 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382746 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382752 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587382779 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587382780 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382986 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)CC(=O)c3cc(C)cc(N)c3O2)c1F ZINC000587382987 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(C)C)([C@@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1)O2 ZINC000587383388 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(C)C)([C@@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1)O2 ZINC000587383389 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(C)C)([C@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1)O2 ZINC000587383390 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(C)C)([C@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1)O2 ZINC000587383391 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587383457 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587383461 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587383482 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587383483 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccc(F)cc1 ZINC000587383502 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccc(F)cc1 ZINC000587383505 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587383613 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587383619 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)O2 ZINC000587383680 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)O2 ZINC000587383681 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587383909 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587383911 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1)O2 ZINC000587384129 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1)O2 ZINC000587384131 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2F)c1 ZINC000587384160 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2F)c1 ZINC000587384162 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1F ZINC000587384174 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1F ZINC000587384176 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587384185 KK Annotated Mild COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587384190 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1)O2 ZINC000587384298 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1)O2 ZINC000587384299 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)C(=O)C(C)C)O2 ZINC000587384820 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)C(=O)C(C)C)O2 ZINC000587384823 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)C(=O)C(C)C)O2 ZINC000587384824 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)C(=O)C(C)C)O2 ZINC000587384825 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1cccc(F)c1 ZINC000587384835 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1-c1cccc(F)c1 ZINC000587384837 KK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385185 KK Annotated Mild COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OCc1ccccc1C#N ZINC000587385199 KK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385204 KK Annotated Mild COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OCc1ccccc1C#N ZINC000587385205 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3I)s1)(C(C)C)O2 ZINC000587385238 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3I)s1)(C(C)C)O2 ZINC000587385241 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587385246 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587385248 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385280 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385281 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385282 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385283 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587385403 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1 ZINC000587385411 KK Annotated Reactive COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385414 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587385426 KK Annotated Anodyne C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587385443 KK Annotated Mild C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587385446 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccc(F)cc3)s1)(c1cc(I)ccc1C)O2 ZINC000587385649 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccc(F)cc3)s1)(c1cc(I)ccc1C)O2 ZINC000587385650 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(O)cc1)(c1ccc(F)cc1)O2 ZINC000587385733 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(O)cc1)(c1ccc(F)cc1)O2 ZINC000587385739 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385772 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587385777 KK Annotated Anodyne C=CCc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCc1ccc(I)cc1 ZINC000587385807 KK Annotated Mild C=CCc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1OCc1ccc(I)cc1 ZINC000587385813 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1I)O2 ZINC000587385873 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1I)O2 ZINC000587385877 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](Br)[C@H](Br)c1ccc(F)cc1)O2 ZINC000587385894 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](Br)[C@H](Br)c1ccc(F)cc1)O2 ZINC000587385897 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](Br)[C@@H](Br)c1ccc(F)cc1)O2 ZINC000587385899 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](Br)[C@@H](Br)c1ccc(F)cc1)O2 ZINC000587385901 KK Annotated Reactive CCN(CC)CCOc1ccc2c(c1)C1(CC(=O)c3cc(C)cc(N)c3O1)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587385960 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cc(I)ccc2-c2ccc(I)cc21 ZINC000587385993 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)O2 ZINC000587386049 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)O2 ZINC000587386052 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)O2 ZINC000587386053 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)O2 ZINC000587386054 KK Annotated Bother CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587386232 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@@H](c1ccccc1F)[C@]1(C3CC3)CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587386236 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@@H](c1ccccc1F)[C@@]1(C3CC3)CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587386241 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)CC(=O)c3cc(C)cc(N)c3O1)C2 ZINC000587386244 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(I)cc3)nc3ccc(Cl)cn13)O2 ZINC000587386259 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(I)cc3)nc3ccc(Cl)cn13)O2 ZINC000587386266 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386293 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386307 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc1)O2 ZINC000587386317 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc1)O2 ZINC000587386321 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587386399 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587386400 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(OCc3ccccc3)cc1)(c1ccc(F)cc1)O2 ZINC000587386416 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(OCc3ccccc3)cc1)(c1ccc(F)cc1)O2 ZINC000587386419 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc1)O2 ZINC000587386459 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc1)O2 ZINC000587386461 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)(c1ccc(F)cc1)O2 ZINC000587386541 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)(c1ccc(F)cc1)O2 ZINC000587386542 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCN1CC=C(n3c(O)nc4ccccc43)CC1)(c1ccc(F)cc1)O2 ZINC000587386553 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCN1CC=C(n3c(O)nc4ccccc43)CC1)(c1ccc(F)cc1)O2 ZINC000587386554 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)c(OCc3ccccc3)c(Cl)n1)O2 ZINC000587386620 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)c(OCc3ccccc3)c(Cl)n1)O2 ZINC000587386624 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc(Cl)ccc1I)(c1c(F)cccc1F)O2 ZINC000587386663 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(Cl)ccc1I)(c1c(F)cccc1F)O2 ZINC000587386670 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386788 KK Annotated Anodyne COc1ccccc1N[C@@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386789 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386790 KK Annotated Anodyne COc1ccccc1N[C@@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587386791 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(I)nc(Br)c3nc(C(C)(C)C)oc13)O2 ZINC000587386888 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(I)nc(Br)c3nc(C(C)(C)C)oc13)O2 ZINC000587386891 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587387129 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 ZINC000587387130 KK Annotated Anodyne CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387222 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387223 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(I)cc3)nc3c(C)cccn13)O2 ZINC000587387279 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(I)cc3)nc3c(C)cccn13)O2 ZINC000587387280 KK Annotated Anodyne CCCCCCCCCCN(C[C@H]1CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587387336 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587387337 KK Annotated Mild CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387348 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387349 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Oc2ccc(I)cc2)=COc2cc(O)ccc21 ZINC000587387417 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Oc2ccc(I)cc2)=COc2cc(O)ccc21 ZINC000587387419 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387473 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387477 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387480 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387482 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c1)O2 ZINC000587387531 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c1)O2 ZINC000587387532 KK Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OCc1ccc(I)cc1 ZINC000587387573 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(I)c1OCc1ccc(I)cc1 ZINC000587387574 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587387640 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587387641 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc21 ZINC000587387681 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc21 ZINC000587387682 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387735 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387736 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)O2 ZINC000587387773 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)O2 ZINC000587387774 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc1)O2 ZINC000587387781 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc1)O2 ZINC000587387782 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387883 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587387884 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)O2 ZINC000587387990 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)O2 ZINC000587387991 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)O2 ZINC000587387992 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)O2 ZINC000587387993 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)CC1)O2 ZINC000587388157 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc1)O2 ZINC000587388251 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc1)O2 ZINC000587388252 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](Cc1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388335 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388336 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587388450 KK Annotated Bother CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587388451 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587388542 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]31C)O2 ZINC000587388543 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(OCCCN)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCN)cc1C4=O ZINC000587388566 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(OCCCN)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCN)cc1C4=O ZINC000587388574 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388704 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587388705 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Oc3ccc(-n4cccc4C=O)cc3)cc1)O2 ZINC000587388921 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Oc3ccc(-n4cccc4C=O)cc3)cc1)O2 ZINC000587388923 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(NC3CCCCC3)c2C(=O)c2cccc(NC3CCCCC3)c21 ZINC000587389055 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(NC3CCCCC3)c2C(=O)c2cccc(NC3CCCCC3)c21 ZINC000587389062 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389212 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587389214 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1c(NCCCO)nc3cc(C)c(C)cc31)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)O2 ZINC000587389234 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1c(NCCCO)nc3cc(C)c(C)cc31)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)O2 ZINC000587389242 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)[C@@]45CC(=O)c4cc(C)cc(N)c4O5)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000587389320 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)[C@]45CC(=O)c4cc(C)cc(N)c4O5)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000587389321 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587389565 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](COC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587389571 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc1)(c1ccccc1)O2 ZINC000587389736 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](COC(=O)c1ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc1)(c1ccccc1)O2 ZINC000587389737 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587390087 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587390088 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587390089 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587390090 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc31)O2 ZINC000587390226 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc31)O2 ZINC000587390230 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 ZINC000587390558 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2[N+](=O)[O-])cc1 ZINC000587390559 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000587390615 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000587390616 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Oc3ccc(N)cc3)cc1)(c1ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc1)O2 ZINC000587390627 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Oc3ccc(N)cc3)cc1)(c1ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc1)O2 ZINC000587390628 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)CN[C@H](C)c1ccccc1)O2 ZINC000587390671 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1)O2 ZINC000587390672 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1)O2 ZINC000587390673 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1NC(=O)CN[C@H](C)c1ccccc1)O2 ZINC000587390674 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587391017 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587391018 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587391264 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587391270 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587391467 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587391472 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587391506 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587391508 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c21 ZINC000587391587 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c21 ZINC000587391589 KK Annotated Clean CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391741 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587391742 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)O2 ZINC000587392293 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)O2 ZINC000587392298 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)O2 ZINC000587392301 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)O2 ZINC000587392303 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C)OC(C)(C)C)O2 ZINC000587392436 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C)OC(C)(C)C)O2 ZINC000587392437 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587392485 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587392486 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587392487 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587392488 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3nn(-c4ccccc4)cc3C=O)cc1)O2 ZINC000587392679 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3nn(-c4ccccc4)cc3C=O)cc1)O2 ZINC000587392680 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587393034 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587393038 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587393039 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587393040 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H]3C(=O)O)C1)O2 ZINC000587393238 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C1)O2 ZINC000587393239 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C1)O2 ZINC000587393240 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C1)O2 ZINC000587393241 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 ZINC000587393278 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 ZINC000587393279 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C(=O)O)cc1)O2 ZINC000587393347 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C(=O)O)cc1)O2 ZINC000587393348 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393496 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587393497 KK Annotated Mild COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)CC(=O)c4cc(C)cc(N)c4O3)c2cc1OC ZINC000587393786 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)CC(=O)c4cc(C)cc(N)c4O3)c2cc1OC ZINC000587393787 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587393905 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)CC(=O)c3cc(C)cc(N)c3O2)cc1OC ZINC000587393906 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587393962 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c1=O)O2 ZINC000587393964 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587394753 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587394754 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587394755 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587394756 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587394958 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587394959 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587395236 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C)cc1)O2 ZINC000587395237 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587395884 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21 ZINC000587395886 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587395887 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587395888 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)ccc1N1CCCC1 ZINC000587395890 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587395956 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587396075 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@]23CC(=O)c2cc(C)cc(N)c2O3)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587396076 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587396134 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587396135 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587396136 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C1)O2 ZINC000587396447 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C1)O2 ZINC000587396449 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C1)O2 ZINC000587396450 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C1)O2 ZINC000587396455 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587396471 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587396472 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587396473 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587396474 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C1)O2 ZINC000587396735 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C1)O2 ZINC000587396736 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)CC(=O)c2cc(C)cc(N)c2O1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587396756 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)CC(=O)c2cc(C)cc(N)c2O1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587396759 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)CC(=O)c2cc(C)cc(N)c2O1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587396761 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)CC(=O)c2cc(C)cc(N)c2O1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587396764 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C1)O2 ZINC000587396788 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C1)O2 ZINC000587396789 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587397209 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587397210 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587397211 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)ccc1N1CCCC1 ZINC000587397212 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc3ccccc13)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)O2 ZINC000587397221 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc3ccccc13)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)O2 ZINC000587397222 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc3ccccc13)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)O2 ZINC000587397223 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc3ccccc13)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)O2 ZINC000587397224 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cn(C[C@@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)O2 ZINC000587397231 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cn(C[C@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)O2 ZINC000587397232 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cn(C[C@@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)O2 ZINC000587397233 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1cn(C[C@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)O2 ZINC000587397234 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)CC(=O)c5cc(C)cc(N)c5O3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587397373 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)CC(=O)c5cc(C)cc(N)c5O3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587397383 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3[C@@H]4CC[C@@H]5[C@@H](CN6C[C@@H](C)CC[C@H]6[C@@]5(C)O)[C@@H]4C[C@@H]3[C@@]3(C)CC[C@H](O)C[C@H]13)O2 ZINC000587397554 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3[C@@H]4CC[C@@H]5[C@@H](CN6C[C@@H](C)CC[C@H]6[C@@]5(C)O)[C@@H]4C[C@@H]3[C@@]3(C)CC[C@H](O)C[C@H]13)O2 ZINC000587397555 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)cc1OC ZINC000587397678 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)cc1OC ZINC000587397685 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587397911 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587397917 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)O2 ZINC000587398077 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)O2 ZINC000587398079 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587398085 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23CC(=O)c2cc(C)cc(N)c2O3)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587398086 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398095 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587398096 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587398325 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587398326 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)CC1)c1ccccc1 ZINC000587398464 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@@H](C)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)CC1)c1ccccc1 ZINC000587398465 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)CC1)c1ccccc1 ZINC000587398466 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@@H](C)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)CC1)c1ccccc1 ZINC000587398467 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587398517 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587398518 KK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(CC(=O)c7cc(C)cc(N)c7O6)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587398681 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(CC(=O)c7cc(C)cc(N)c7O6)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587398685 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(CC(=O)c7cc(C)cc(N)c7O6)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587398688 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(CC(=O)c7cc(C)cc(N)c7O6)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587398691 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@H]3C1)O2 ZINC000587398840 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@H]3C1)O2 ZINC000587398841 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@@H]3C1)O2 ZINC000587398844 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@@H]3C1)O2 ZINC000587398849 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@H]1C1CCCC1 ZINC000587398995 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@@H]1C1CCCC1 ZINC000587398996 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@H]1C1CCCC1 ZINC000587398998 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@@H]1C1CCCC1 ZINC000587399002 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCCOc3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587399089 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCCOc3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587399090 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587399133 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587399134 KK Annotated Anodyne CC[C@@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399435 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5CC(=O)c6cc(C)cc(N)c6O5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587399436 KK Annotated Clean CC[C@@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399439 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399442 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5CC(=O)c6cc(C)cc(N)c6O5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587399444 KK Annotated Clean CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587399446 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587400026 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587400027 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587400349 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587400353 KK Annotated Clean CCCCCCCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCCCCCCCC)cc1C=O ZINC000587400357 KK Annotated Mild CCCCCCCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCCCCCCCC)cc1C=O ZINC000587400359 KK Annotated Mild CC[C@@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400533 KK Annotated Anodyne CC[C@@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400534 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400535 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400536 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587400543 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)O2 ZINC000587400545 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587400604 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)O2 ZINC000587400608 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587400999 KK Annotated Anodyne CC[C@@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401001 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401003 KK Annotated Anodyne CC[C@@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587401005 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587402089 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3[C@]23CC(=O)c2cc(C)cc(N)c2O3)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587402090 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402180 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402182 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402183 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587402184 KK Annotated Mild CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@]23CC(=O)c2cc(C)cc(N)c2O3)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000587402285 KK Annotated Mild CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(c3[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O ZINC000587402288 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402343 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587402344 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)[C@@]12C ZINC000587402397 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)[C@@]12C ZINC000587402398 KK Annotated Anodyne COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587402412 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587402413 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587402414 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587402415 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587402545 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587402546 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587402548 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O ZINC000587402550 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(OCCCC(=O)O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587402608 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(OCCCC(=O)O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587402609 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587402814 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587402815 KK Annotated Bother CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587402846 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587402848 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000587402852 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000587402854 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@@H]1C ZINC000587402856 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@@H]1C ZINC000587402860 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403022 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403023 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403024 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403026 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403029 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403034 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403038 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)CC(=O)c5cc(C)cc(N)c5O4)CC[C@H]32)C1 ZINC000587403039 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587403081 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587403082 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403212 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403215 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403216 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 ZINC000587403217 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587403369 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587403376 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403460 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(C)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587403533 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(C)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587403534 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(Oc3ccccc3)cc1)(c1ccc(Oc3ccccc3)cc1)O2 ZINC000587403701 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(CO)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587403723 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(CO)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587403724 KK Annotated Bother CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587403804 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587403827 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587403828 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587403831 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2cc(C)cc(N)c2O1)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587403832 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C(C)=C(OC)C1=O ZINC000587404058 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C(C)=C(OC)C1=O ZINC000587404059 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C(C)=C(OC)C1=O ZINC000587404060 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C(C)=C(OC)C1=O ZINC000587404061 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]31C)O2 ZINC000587404062 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]31C)O2 ZINC000587404063 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587404113 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587404114 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587404115 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587404116 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)cc(CO)c7c8c(C)cc(O)c1c8c(c23)c(c54)c67 ZINC000587404141 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)cc(CO)c7c8c(C)cc(O)c1c8c(c23)c(c54)c67 ZINC000587404142 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc3cc(C(=O)c4c(C)ccc5cc(C)ccc45)ccc3c1)(c1c(C)ccc3cc(C)ccc13)O2 ZINC000587404255 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587404257 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587404258 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc3cc(C(=O)c4c(C)ccc5cc(C)ccc45)ccc3c1)(c1c(C)ccc3cc(C)ccc13)O2 ZINC000587404259 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587404260 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587404262 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587404267 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587404345 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587404351 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587404355 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]2[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587404358 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C1)O2 ZINC000587404394 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C1)O2 ZINC000587404395 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(CC(=O)c4cc(C)cc(N)c4O2)C(C)(C)[C@@H]1CC3 ZINC000587404408 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(CC(=O)c4cc(C)cc(N)c4O2)C(C)(C)[C@@H]1CC3 ZINC000587404409 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404536 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587404540 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587404625 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587404630 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C1(C)C)O2 ZINC000587405028 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C1(C)C)O2 ZINC000587405131 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C1(C)C)O2 ZINC000587405132 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C1(C)C)O2 ZINC000587405133 KK Annotated Anodyne CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587405136 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587405137 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=O)c5c4O)c(O)c13)O2 ZINC000587405138 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=O)c5c4O)c(O)c13)O2 ZINC000587405139 KK Annotated Clean Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1C4=O ZINC000587405603 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1C4=O ZINC000587405607 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(=O)c3c(C)cc(C(C)(C)C)cc3C)cc1)(c1c(C)cc(C(C)(C)C)cc1C)O2 ZINC000587405853 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(=O)c3c(C)cc(C(C)(C)C)cc3C)cc1)(c1c(C)cc(C(C)(C)C)cc1C)O2 ZINC000587405857 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)([C@H](O)c1ccc(-c3ccccc3)cc1)O2 ZINC000587406001 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)([C@@H](O)c1ccc(-c3ccccc3)cc1)O2 ZINC000587406002 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(-c3ccccc3)cc1)([C@@H](O)c1ccc(-c3ccccc3)cc1)O2 ZINC000587406003 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(-c3ccccc3)cc1)([C@H](O)c1ccc(-c3ccccc3)cc1)O2 ZINC000587406004 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406276 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406280 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C1)O2 ZINC000587406375 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@]3(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@H]3C1)O2 ZINC000587406377 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@]3(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@H]3C1)O2 ZINC000587406379 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C1)O2 ZINC000587406382 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)c1ccc(-c3ccccc3)cc1)(c1ccc(-c3ccccc3)cc1)O2 ZINC000587406491 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)c1ccc(-c3ccccc3)cc1)(c1ccc(-c3ccccc3)cc1)O2 ZINC000587406492 KK Annotated Anodyne CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406563 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587406566 KK Annotated Unstable Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccccc1P(C1CCCCC1)C1CCCCC1)O2 ZINC000587406652 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccccc1P(C1CCCCC1)C1CCCCC1)O2 ZINC000587406654 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587406761 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587406762 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H]1O ZINC000587406891 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H]1O ZINC000587406892 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@@H]1O ZINC000587406893 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@H]1O ZINC000587406894 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(CC(=O)c7cc(C)cc(N)c7O6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587407197 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(CC(=O)c7cc(C)cc(N)c7O6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587407203 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)O2 ZINC000587407219 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)O2 ZINC000587407226 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)O2 ZINC000587407229 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)O2 ZINC000587407230 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)CC(=O)c4cc(C)cc(N)c4O3)[C@H]1C2 ZINC000587407363 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)CC(=O)c4cc(C)cc(N)c4O3)[C@H]1C2 ZINC000587407367 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)CC(=O)c4cc(C)cc(N)c4O3)[C@H]1C2 ZINC000587407368 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)CC(=O)c4cc(C)cc(N)c4O3)[C@H]1C2 ZINC000587407369 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)O2 ZINC000587407387 KK Annotated Reactive CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@]41CC(=O)c2cc(C)cc(N)c2O1)C3=O ZINC000587407412 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@]41CC(=O)c2cc(C)cc(N)c2O1)C3=O ZINC000587407413 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41CC(=O)c2cc(C)cc(N)c2O1)C3=O ZINC000587407414 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41CC(=O)c2cc(C)cc(N)c2O1)C3=O ZINC000587407415 KK Annotated Mild COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407529 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407531 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407533 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 ZINC000587407535 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(S(=O)(=O)c3ccccc3)c3cc(Br)ccc13)O2 ZINC000587407692 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(S(=O)(=O)c3ccccc3)c3cc(Br)ccc13)O2 ZINC000587407693 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2c3cccc2C(=O)c2cccc(c21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587407809 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21 ZINC000587407947 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1C)O2 ZINC000587408117 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1C)O2 ZINC000587408118 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@H]2CC(C)C)C1(C)C ZINC000587408244 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@@H]2CC(C)C)C1(C)C ZINC000587408248 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@@H]2CC(C)C)C1(C)C ZINC000587408251 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@H]2CC(C)C)C1(C)C ZINC000587408253 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12CC(=O)c1cc(C)cc(N)c1O2)OCOC3=CC4=O ZINC000587408361 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12CC(=O)c1cc(C)cc(N)c1O2)OCOC3=CC4=O ZINC000587408369 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12CC(=O)c1cc(C)cc(N)c1O2)OCOC3=CC4=O ZINC000587408372 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12CC(=O)c1cc(C)cc(N)c1O2)OCOC3=CC4=O ZINC000587408377 KK Annotated Mild CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587408391 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587408396 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587408474 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587408476 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408487 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587408490 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587408595 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587408596 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Br)cc1)O2 ZINC000587408662 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Br)cc1)O2 ZINC000587408664 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587408669 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587408675 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587408676 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587408678 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@@H](CC[C@]4(C)O3)C1(C)C)O2 ZINC000587408799 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@H](CC[C@]4(C)O3)C1(C)C)O2 ZINC000587408801 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@H](CC[C@@]4(C)O3)C1(C)C)O2 ZINC000587408803 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@@H](CC[C@@]4(C)O3)C1(C)C)O2 ZINC000587408804 KK Annotated Anodyne CC[C@]1([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408869 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408871 KK Annotated Anodyne CC[C@]1([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408872 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587408875 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587409113 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587409116 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587409117 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587409118 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409135 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587409137 KK Annotated Reactive COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587409182 KK Annotated Bother COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587409187 KK Annotated Bother CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(CC(=O)c4cc(C)cc(N)c4O2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587409242 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(CC(=O)c4cc(C)cc(N)c4O2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587409249 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c1 ZINC000587409727 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c1 ZINC000587409733 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c([N+](=O)[O-])c1 ZINC000587409938 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2OC)c([N+](=O)[O-])c1 ZINC000587409939 KK Annotated Bother COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410055 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410059 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587410066 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 ZINC000587410074 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2cccc3c2C(=O)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587410108 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(O)ccc(O)c1O2 ZINC000587410155 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(O)ccc(O)c1O2 ZINC000587410159 KK Annotated Anodyne COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)(C)C ZINC000587410254 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)(C)C ZINC000587410257 KK Annotated Reactive Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410363 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H](c2ccccc2)[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410364 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410365 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H](c2ccccc2)[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587410366 KK Annotated Mild COC(=O)C([C@@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587410559 KK Annotated Unstable COC(=O)C([C@]1(C2CCC2)CC(=O)c2cc(C)cc(N)c2O1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587410560 KK Annotated Unstable CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410688 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 ZINC000587410689 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587410690 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)O2 ZINC000587410691 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3)O2 ZINC000587410771 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]41)O3)O2 ZINC000587410775 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]41)O3)O2 ZINC000587410779 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3)O2 ZINC000587410780 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587410781 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587410782 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccc(O)cc1)O2 ZINC000587410902 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccc(O)cc1)O2 ZINC000587410903 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@H](c1ccc(O)cc1)O2 ZINC000587410904 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)C[C@@H](c1ccc(O)cc1)O2 ZINC000587410905 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4ccc(C(=O)CBr)cc4)cc1)[C@@H](C2)C3=O ZINC000587411034 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-c4ccc(C(=O)CBr)cc4)cc1)[C@@H](C2)C3=O ZINC000587411038 KK Annotated Reactive COc1cc2c3c(c1)OC(c1ccccc1Br)(c1ccccc1Br)[C@@H](C2)C3=O ZINC000587411044 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587411063 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587411068 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(Br)c1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587411071 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(Br)c1OCc1ccccc1)[C@@H](C2)C3=O ZINC000587411072 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)[C@@H](C2)C3=O ZINC000587411084 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)[C@@H](C2)C3=O ZINC000587411088 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411127 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411133 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411137 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587411140 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)CC(=O)c4cc(C)cc(N)c4O3)c(C)nn2C)cc1 ZINC000587411202 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)CC(=O)c4cc(C)cc(N)c4O3)c(C)nn2C)cc1 ZINC000587411204 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587411666 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587411672 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587411675 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5cc(C)cc(N)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587411678 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(-c4ccc(Br)s4)s3)s1)O2 ZINC000587411908 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(-c4ccc(Br)s4)s3)s1)O2 ZINC000587411911 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587411957 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587411968 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5C[C@@H](Br)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587411982 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5C[C@@H](Br)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587411984 KK Annotated Reactive CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587412160 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587412167 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(NC(=O)OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587412180 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(NC(=O)OCc4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587412187 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3sccc3Br)cc1)O2 ZINC000587412285 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3sccc3Br)cc1)O2 ZINC000587412291 KK Annotated Reactive CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412349 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587412352 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587412376 KK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587412377 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1scc(Br)c1Br)O2 ZINC000587412475 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1scc(Br)c1Br)O2 ZINC000587412476 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O ZINC000587412536 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O ZINC000587412537 KK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587412547 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C ZINC000587412551 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OCc4ccccc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587412624 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCc4ccccc4)c(Br)c1)[C@@H](C2)C3=O ZINC000587412627 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(Cl)cc4Br)c1)[C@@H](C2)C3=O ZINC000587412895 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(Cl)cc4Br)c1)[C@@H](C2)C3=O ZINC000587412898 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OCc4ccccc4)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587412909 KK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OCc4ccccc4)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587412911 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(Br)cc(Br)cc4Br)c1)[C@@H](C2)C3=O ZINC000587412917 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(Br)cc(Br)cc4Br)c1)[C@@H](C2)C3=O ZINC000587412918 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)O2 ZINC000587413000 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)O2 ZINC000587413001 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)[C@@H](C2)C3=O ZINC000587413268 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)[C@@H](C2)C3=O ZINC000587413269 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587413311 KK Annotated Reactive CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587413319 KK Annotated Reactive CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587413321 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 ZINC000587413323 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(Br)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587413332 KK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(Br)c(C)c4)c1C)[C@@H](C2)C3=O ZINC000587413337 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587413374 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCC(=O)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587413375 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1sc(N3CCCCC3)nc1C)O2 ZINC000587413492 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1sc(N3CCCCC3)nc1C)O2 ZINC000587413495 KK Annotated Bother CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)nn12 ZINC000587413566 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(C)nn12 ZINC000587413570 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)CC(=O)c5cc(C)cc(N)c5O4)ccc32)cc1)C(=O)OC ZINC000587413623 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)CC(=O)c5cc(C)cc(N)c5O4)ccc32)cc1)C(=O)OC ZINC000587413628 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCO[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587413669 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCO[C@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587413671 KK Annotated Anodyne CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413673 KK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587413674 KK Annotated Anodyne CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413675 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1)[C@@H](C2)C3=O ZINC000587413676 KK Annotated Anodyne COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413711 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587413715 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587413780 KK Annotated Reactive COc1cc2c3c(c1)O[C@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587413781 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nnc(NC(=O)CCC(=O)O)s1)(c1ccc(Cl)cc1Cl)O2 ZINC000587413888 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nnc(NC(=O)CCC(=O)O)s1)(c1ccc(Cl)cc1Cl)O2 ZINC000587413891 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587413892 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587413895 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587413898 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2=O)cc1 ZINC000587413901 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413973 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413977 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413978 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3cc(C)cc(N)c3O2)c1 ZINC000587413979 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(Br)c2)cc1 ZINC000587414027 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(Br)c2)cc1 ZINC000587414034 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc(Cl)cc(Br)c1O)[C@@H](C2)C3=O ZINC000587414066 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc(Cl)cc(Br)c1O)[C@@H](C2)C3=O ZINC000587414069 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c(OC)ccc(Br)c1C)(c1c(C)cc(OC)c(OC)c1OC)[C@@H](C2)C3=O ZINC000587414441 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(OC)ccc(Br)c1C)(c1c(C)cc(OC)c(OC)c1OC)[C@@H](C2)C3=O ZINC000587414443 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O ZINC000587414452 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O ZINC000587414458 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(COc4c(Br)cc(Br)cc4Br)o1)[C@@H](C2)C3=O ZINC000587414478 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4c(Br)cc(Br)cc4Br)o1)[C@@H](C2)C3=O ZINC000587414484 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 ZINC000587414851 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 ZINC000587414854 KK Annotated Reactive CCCC[C@@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414858 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414859 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414860 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2cc(C)cc(N)c2O1 ZINC000587414861 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)[C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414919 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)[C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414925 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)[C@@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414927 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)[C@H](Br)c1ccccc1)[C@@H](C2)C3=O ZINC000587414929 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C(Br)Br)[C@@H](C2)C3=O ZINC000587415143 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C(Br)Br)[C@@H](C2)C3=O ZINC000587415144 KK Annotated Reactive CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1-2 ZINC000587415171 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1-2 ZINC000587415179 KK Annotated Mild Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]31C)O2 ZINC000587415311 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]31C)O2 ZINC000587415314 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)O2 ZINC000587415349 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)O2 ZINC000587415350 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)O2 ZINC000587415351 KK Annotated Reactive Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)O2 ZINC000587415352 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)C(C)(C)Br)[C@@H](C2)C3=O ZINC000587415782 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)C(C)(C)Br)[C@@H](C2)C3=O ZINC000587415783 KK Annotated Anodyne Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c1)O2 ZINC000587415908 KK Annotated Bother Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c1)O2 ZINC000587415909 KK Annotated Bother CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415936 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21CC(=O)c2cc(C)cc(N)c2O1 ZINC000587415939 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](C[C@@H](O)c1ccc(-c4ccc(Br)cc4)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587416390 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](C[C@H](O)c1ccc(-c4ccc(Br)cc4)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587416391 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](C[C@@H](O)c1ccc(-c4ccc(Br)cc4)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587416392 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](C[C@H](O)c1ccc(-c4ccc(Br)cc4)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587416393 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc5c(cc41)-c1ccc(Br)cc1C5(C)C)[C@@H](C2)C3=O ZINC000587416426 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc5c(cc41)-c1ccc(Br)cc1C5(C)C)[C@@H](C2)C3=O ZINC000587416427 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416474 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416475 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416476 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@]4(CCN(C(=O)OC(C)(C)C)C4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587416477 KK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1ccc(Br)cc1 ZINC000587416524 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCOc1ccc(Br)cc1 ZINC000587416526 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc(Br)cc4-c4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587416567 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc(Br)cc4-c4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587416572 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587417004 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587417005 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587417055 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587417057 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCOc4cccc(Br)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587417145 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCCOc4cccc(Br)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587417146 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc(Br)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587417149 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc(Br)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587417150 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O ZINC000587417163 KK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1oc4cc([N+](=O)[O-])ccc4c1N)[C@@H](C2)C3=O ZINC000587417164 KK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1Oc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417171 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1Oc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417172 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(Cc4ccc(Br)cc4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587417175 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(Cc4ccc(Br)cc4)nc1-c1ccccc1)[C@@H](C2)C3=O ZINC000587417176 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1c(C(=O)c4ccc(Cl)cc4Cl)c(C)nn1C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417192 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1c(C(=O)c4ccc(Cl)cc4Cl)c(C)nn1C)(c1ccccc1)[C@@H](C2)C3=O ZINC000587417193 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587417249 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587417253 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(=O)n(Cc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587417288 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)c(=O)n(Cc4ccc(Cl)c(Cl)c4)c1)[C@@H](C2)C3=O ZINC000587417289 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587417314 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587417317 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587417319 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1C ZINC000587417321 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Br)c(Br)cc41)[C@@H](C2)C3=O ZINC000587417381 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Br)c(Br)cc41)[C@@H](C2)C3=O ZINC000587417382 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cnn(-c4ccccc4)c1)(c1cc(Br)ccc1O)[C@@H](C2)C3=O ZINC000587417384 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cnn(-c4ccccc4)c1)(c1cc(Br)ccc1O)[C@@H](C2)C3=O ZINC000587417386 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4c(-c5ccccc5)c(O)nc5c(C)cc(Br)c1c45)[C@@H](C2)C3=O ZINC000587417398 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4c(-c5ccccc5)c(O)nc5c(C)cc(Br)c1c45)[C@@H](C2)C3=O ZINC000587417401 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417497 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587417499 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(OC)cc6c5C(=O)[C@H]3C6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587417502 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(OC)cc6c5C(=O)[C@H]3C6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587417509 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417748 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587417749 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(Br)cc4C(=O)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587417817 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(Br)cc4C(=O)c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587417818 KK Annotated Anodyne COc1cc2c3c(c1)OC(c1ccc(Br)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417823 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417824 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417825 KK Annotated Anodyne CCOC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417826 KK Annotated Anodyne CCOC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587417827 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)c1cc(C4CC4)nc4onc(C)c14)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417918 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COC(=O)c1cc(C4CC4)nc4onc(C)c14)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587417920 KK Annotated Anodyne CCOC(=O)[C@@H](C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)c1ccccc1 ZINC000587417928 KK Annotated Anodyne CCOC(=O)[C@@H](C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)c1ccccc1 ZINC000587417930 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)c1ccccc1 ZINC000587417931 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)c1ccccc1 ZINC000587417933 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587418066 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br ZINC000587418067 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(F)(F)F)cc1Br)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587418107 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C(F)(F)F)cc1Br)(c1c(N)sc4c1CCC4)[C@@H](C2)C3=O ZINC000587418108 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4c(OC)ccc(Br)c14)[C@@H](C2)C3=O ZINC000587418116 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4c(OC)ccc(Br)c14)[C@@H](C2)C3=O ZINC000587418119 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587418225 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](C2)C3=O ZINC000587418227 KK Annotated Mild COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587418232 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)[C@@H](C2)C3=O ZINC000587418233 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418268 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O ZINC000587418271 KK Annotated Anodyne COc1cc2c3c(c1)OC1(CC(NC(=O)OC(C)(C)C)(c4ccc(Br)cc4)C1)[C@@H](C2)C3=O ZINC000587418325 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(Br)ccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587418330 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(Br)ccc4-c4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587418332 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587418334 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)[C@@H](C2)C3=O ZINC000587418335 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4cccc(Br)c4)nc1C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587418438 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(-c4cccc(Br)c4)nc1C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587418439 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418680 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418682 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(Oc4cc(Cl)c(Cl)cc4Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587418736 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Oc4cc(Cl)c(Cl)cc4Cl)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587418751 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1C[C@H](c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587418785 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1C[C@@H](c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587418789 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1C[C@@H](c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587418793 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1C[C@H](c4ccc(OCc5ccc(C(F)(F)F)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587418799 KK Annotated Anodyne COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418829 KK Annotated Mild COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418830 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418831 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587418832 KK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418927 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587418928 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418940 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418953 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418955 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O ZINC000587418956 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587419025 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4cc(Br)ccc41)[C@@H](C2)C3=O ZINC000587419028 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419086 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(Br)cc41)[C@@H](C2)C3=O ZINC000587419090 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419097 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419106 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419115 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419119 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587419121 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587419132 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587419151 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587419155 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587419159 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587419162 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419332 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O ZINC000587419345 KK Annotated Reactive COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587419386 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587419389 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587419391 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc4ccccc4C1=O)[C@@H](C2)C3=O ZINC000587419393 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(Cl)c(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587419536 KK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(Cl)c(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O ZINC000587419540 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4nc(C(F)(F)F)cc(-c5ccccc5)c4C#N)c1)[C@@H](C2)C3=O ZINC000587419618 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4nc(C(F)(F)F)cc(-c5ccccc5)c4C#N)c1)[C@@H](C2)C3=O ZINC000587419622 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587419636 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587419642 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419701 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1)[C@@H](C2)C3=O ZINC000587419702 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587419707 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587419708 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587419709 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O ZINC000587419710 KK Annotated Reactive COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587419713 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587419714 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587419765 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587419766 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587419767 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O ZINC000587419768 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(Br)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587419836 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(Br)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587419840 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587419866 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587419873 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1C[C@@H](c4ccc(-c5ccc(Br)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587419999 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1C[C@H](c4ccc(-c5ccc(Br)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587420006 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1C[C@H](c4ccc(-c5ccc(Br)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587420008 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1C[C@@H](c4ccc(-c5ccc(Br)cc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587420010 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(Cl)cc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420037 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(Cl)cc(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587420040 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc([C@@H]4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)ccc1Cl)[C@@H](C2)C3=O ZINC000587420147 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc([C@@H]4O[C@H](COCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@H]4OCc4ccccc4)ccc1Cl)[C@@H](C2)C3=O ZINC000587420172 KK Annotated Anodyne COc1cc2c3c(c1)OC1(c4c(Cl)ccc(Cl)c4C(=O)c4c(Cl)ccc(Cl)c41)[C@@H](C2)C3=O ZINC000587420192 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(Br)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420479 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccc(Br)cc1)(c1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587420484 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc5c(cc41)C(C)(C)c1cc(Br)ccc1-5)[C@@H](C2)C3=O ZINC000587420522 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc5c(cc41)C(C)(C)c1cc(Br)ccc1-5)[C@@H](C2)C3=O ZINC000587420525 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c5[nH]c6c([nH]c5c41)c(Cl)cc1c(=O)c4ccccc4c(=O)c16)[C@@H](C2)C3=O ZINC000587420592 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c5[nH]c6c([nH]c5c41)c(Cl)cc1c(=O)c4ccccc4c(=O)c16)[C@@H](C2)C3=O ZINC000587420594 KK Annotated Clean COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587420699 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccccc1)[C@@H](C2)C3=O ZINC000587420705 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@]1(Cc4ccc(Cl)c(Cl)c4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587420732 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@]1(Cc4ccc(Cl)c(Cl)c4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587420739 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@]1(Cc4ccc(Cl)c(Cl)c4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587420742 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@]1(Cc4ccc(Cl)c(Cl)c4)CCCN(C(=O)OC(C)(C)C)C1)[C@@H](C2)C3=O ZINC000587420745 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420769 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587420772 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4nc(C(F)F)cc(-c5ccccc5)c4C#N)c1)[C@@H](C2)C3=O ZINC000587420810 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4nc(C(F)F)cc(-c5ccccc5)c4C#N)c1)[C@@H](C2)C3=O ZINC000587420818 KK Annotated Mild COc1cc2c3c(c1)O[C@]1(c4c(cc(OCC(=O)O)c(Cl)c4Cl)C[C@]1(C)C1CCCC1)[C@@H](C2)C3=O ZINC000587420828 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(cc(OCC(=O)O)c(Cl)c4Cl)C[C@]1(C)C1CCCC1)[C@@H](C2)C3=O ZINC000587420836 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C(F)F)c(Cl)c4C(F)F)c1)[C@@H](C2)C3=O ZINC000587420874 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C(F)F)c(Cl)c4C(F)F)c1)[C@@H](C2)C3=O ZINC000587420878 KK Annotated Anodyne COC(=O)N[C@@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420928 KK Annotated Anodyne COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420932 KK Annotated Anodyne COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420934 KK Annotated Anodyne COC(=O)N[C@@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587420937 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421083 KK Annotated Mild COc1cc2c3c(c1)O[C@@](C)(C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl)[C@@H](C2)C3=O ZINC000587421084 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587421221 KK Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587421224 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587421288 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)[C@@H](C2)C3=O ZINC000587421292 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(Cl)cc(Cl)cc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421320 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(Cl)cc(Cl)cc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421323 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c1)[C@@H](C2)C3=O ZINC000587421452 KK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4nc(C(F)(F)F)cc(C)c4C#N)c1)[C@@H](C2)C3=O ZINC000587421456 KK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c(C)c1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587421480 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)c(C)c1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587421485 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O ZINC000587421513 KK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c4ccccn14)[C@@H](C2)C3=O ZINC000587421516 KK Annotated Bother COc1cc2c3c(c1)O[C@]1([C@@H](OC)O[C@H](COCc4ccc(Cl)cc4Cl)[C@H]1OCc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587421612 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](OC)O[C@H](COCc4ccc(Cl)cc4Cl)[C@H]1OCc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587421618 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421623 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421634 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421638 KK Annotated Anodyne CCOC(=O)CC[C@]1(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587421642 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587421782 KK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587421797 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4c(Cl)cccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421828 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4c(Cl)cccc4Cl)c(OC)c1)[C@@H](C2)C3=O ZINC000587421840 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](COc1c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn1C)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587421878 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COc1c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn1C)(c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587421880 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(C)=O)([C@@]1(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]41C)[C@@H](C2)C3=O ZINC000587421908 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]41C)[C@@H](C2)C3=O ZINC000587421916 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422049 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCN(C(=O)OC(C)(C)C)CC4)Oc4ccc(Cl)cc41)[C@@H](C2)C3=O ZINC000587422060 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4n1C(F)F)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587422075 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4n1C(F)F)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O ZINC000587422086 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1cc(Br)ccc1F)(c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587422088 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1cc(Br)ccc1F)(c1cc(Br)ccc1F)[C@@H](C2)C3=O ZINC000587422093 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(SCc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587422139 KK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(SCc4cccc(C(F)(F)F)c4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587422140 KK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587422192 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587422195 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587422196 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587422197 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCN1CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC1)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O ZINC000587422367 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCN1CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC1)(c1ccc4nc(O)oc4c1)[C@@H](C2)C3=O ZINC000587422374 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)o1)[C@@H](C2)C3=O ZINC000587422566 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)o1)[C@@H](C2)C3=O ZINC000587422574 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1nc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]1)[C@@H](C2)C3=O ZINC000587422592 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1nc(=O)n(-c4c(Cl)cc(Cl)cc4Cl)[nH]1)[C@@H](C2)C3=O ZINC000587422606 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c1)[C@@H](C2)C3=O ZINC000587422626 KK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CSc4nc(C(F)F)cc(C)c4C#N)c1)[C@@H](C2)C3=O ZINC000587422629 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(Oc4ccc(F)cc4)=C(C(F)(F)F)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587422716 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Oc4ccc(F)cc4)=C(C(F)(F)F)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587422719 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587422784 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587422786 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587422983 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587422989 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587423006 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587423007 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587423112 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(Cn4nc(C(F)F)c(Br)c4C(F)F)c1)[C@@H](C2)C3=O ZINC000587423115 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)C)cc1)[C@@H](C2)C3=O ZINC000587423116 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(Cn4nc(C(F)F)c(Br)c4C(F)F)c1)[C@@H](C2)C3=O ZINC000587423118 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587423316 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C2)C3=O ZINC000587423317 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)[C@@H]7C[C@@H]7[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587423335 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)[C@@H]7C[C@@H]7[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587423336 KK Annotated Mild COc1cc2c3c(c1)OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O ZINC000587423425 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)[C@@H](C2)C3=O ZINC000587423450 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)[C@@H](C2)C3=O ZINC000587423451 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(OC(F)F)cc1)(c1cncc(Br)c1C)[C@@H](C2)C3=O ZINC000587423494 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC(F)F)cc1)(c1cncc(Br)c1C)[C@@H](C2)C3=O ZINC000587423496 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Cc4ccccc4)=C([C@H](NC(=O)OC(C)(C)C)C(C)C)Oc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423570 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Cc4ccccc4)=C([C@H](NC(=O)OC(C)(C)C)C(C)C)Oc4cc(Cl)ccc41)[C@@H](C2)C3=O ZINC000587423571 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]6(Cl)[C@@H]4[C@@H]5[C@]1(Cl)C6(Cl)Cl)[C@@H](C2)C3=O ZINC000587423584 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]5[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]6(Cl)[C@@H]4[C@@H]5[C@]1(Cl)C6(Cl)Cl)[C@@H](C2)C3=O ZINC000587423593 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)C[C@H](CCl)[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587423625 KK Annotated Reactive COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)C[C@H](CCl)[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587423631 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccccc4C(F)(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587423645 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccccc4C(F)(F)F)c(OC)c1)[C@@H](C2)C3=O ZINC000587423647 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(Cn4nc(C(F)F)c(Br)c4C(F)F)o1)[C@@H](C2)C3=O ZINC000587423702 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Cn4nc(C(F)F)c(Br)c4C(F)F)o1)[C@@H](C2)C3=O ZINC000587423704 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCc4ccccc4C(F)(F)F)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587423741 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCc4ccccc4C(F)(F)F)c4nc(O)ccc14)[C@@H](C2)C3=O ZINC000587423748 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1nc(N(C(C)=O)c4cccc(C(F)(F)F)c4)sc1Br)[C@@H](C2)C3=O ZINC000587423751 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1nc(N(C(C)=O)c4cccc(C(F)(F)F)c4)sc1Br)[C@@H](C2)C3=O ZINC000587423760 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)c(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587423901 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)c(Cl)c4)c1C)[C@@H](C2)C3=O ZINC000587423902 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H]([C@@H]4CC[C@@H](c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424045 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](C4CCC(c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424051 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](C4CCC(c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424054 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](C4CCC(c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424058 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](C4CCC(c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424062 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H]([C@@H]4CC[C@@H](c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424067 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H]([C@@H]4CC[C@@H](c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424070 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H]([C@@H]4CC[C@@H](c5ccc(Cl)cc5)CC4)C(=O)c4ccccc41)[C@@H](C2)C3=O ZINC000587424073 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(Cl)cc4)=C(C)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587424086 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(Cl)cc4)=C(C)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587424090 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)c1)[C@@H](C2)C3=O ZINC000587424097 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4c(Cl)c(Cl)c(Cl)c(Cl)c4Cl)c1)[C@@H](C2)C3=O ZINC000587424098 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4cc(Cl)c(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587424136 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4cc(Cl)c(Cl)cc4Cl)c1)[C@@H](C2)C3=O ZINC000587424138 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(/C=C(\C#N)c4cccc(C(F)(F)F)c4)n(C)c1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587424253 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1cc(/C=C(\C#N)c4cccc(C(F)(F)F)c4)n(C)c1)(c1ccccc1F)[C@@H](C2)C3=O ZINC000587424260 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1cc(Cl)c1[nH]c5c([nH]c41)c(Cl)cc1c(=O)c4ccccc4c(=O)c15)[C@@H](C2)C3=O ZINC000587424295 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1cc(Cl)c1[nH]c5c([nH]c41)c(Cl)cc1c(=O)c4ccccc4c(=O)c15)[C@@H](C2)C3=O ZINC000587424296 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@@H]1[C@@H]1CC[C@@H](c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424297 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@@H]1C1CCC(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424298 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@H]1C1CCC(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424299 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@H]1C1CCC(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424300 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@@H]1C1CCC(c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424301 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@H]1[C@@H]1CC[C@@H](c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424302 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)C(=O)[C@H]1[C@@H]1CC[C@@H](c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424303 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)C(=O)[C@@H]1[C@@H]1CC[C@@H](c4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O ZINC000587424304 KK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c(C)c(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n4ccccc14)[C@@H](C2)C3=O ZINC000587424399 KK Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(C)c(C(=O)c4ccc(Cl)c([N+](=O)[O-])c4)n4ccccc14)[C@@H](C2)C3=O ZINC000587424403 KK Annotated Bother COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1sc(-c4cccc(C(F)(F)F)c4)nc1C)[C@@H](C2)C3=O ZINC000587424446 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1sc(-c4cccc(C(F)(F)F)c4)nc1C)[C@@H](C2)C3=O ZINC000587424458 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1sc(-c4cccc(C(F)(F)F)c4)nc1C)[C@@H](C2)C3=O ZINC000587424460 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1sc(-c4cccc(C(F)(F)F)c4)nc1C)[C@@H](C2)C3=O ZINC000587424464 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)Nc4ccc(SC(F)F)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587424595 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(=O)Nc4ccc(SC(F)F)cc4)c(OC)c1)[C@@H](C2)C3=O ZINC000587424596 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)c4ccccc14)(c1cn(CCCCCF)c4ccccc14)[C@@H](C2)C3=O ZINC000587424995 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)c4ccccc14)(c1cn(CCCCCF)c4ccccc14)[C@@H](C2)C3=O ZINC000587424996 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)c1cc(C4CC4)nc4onc(C)c14)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587425597 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](COC(=O)c1cc(C4CC4)nc4onc(C)c14)(c1ccc(OC)c(F)c1)[C@@H](C2)C3=O ZINC000587425598 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587426115 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587426116 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587426129 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1)[C@@H](C2)C3=O ZINC000587426130 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2F)c1 ZINC000587426181 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2F)c1 ZINC000587426184 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426215 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426216 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(COc4ccc(I)cc4)c1)[C@@H](C2)C3=O ZINC000587426334 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(COc4ccc(I)cc4)c1)[C@@H](C2)C3=O ZINC000587426335 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587426410 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587426411 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC[C@H]1C(=O)N(c4ccc(F)cc4)[C@@H]1c1ccc(OCc4ccccc4)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426576 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC[C@H]1C(=O)N(c4ccc(F)cc4)[C@@H]1c1ccc(OCc4ccccc4)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587426581 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426586 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426591 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426594 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426597 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)cc1)[C@@H](C2)C3=O ZINC000587426606 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)cc1)[C@@H](C2)C3=O ZINC000587426610 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(I)cc4)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587426686 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(I)cc4)nc4ccc(Cl)cn14)[C@@H](C2)C3=O ZINC000587426690 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(NCCc5ccc(O)cc5)ccc(NCCc5ccc(O)cc5)c41)[C@@H](C2)C3=O ZINC000587426696 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(NCCc5ccc(O)cc5)ccc(NCCc5ccc(O)cc5)c41)[C@@H](C2)C3=O ZINC000587426700 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426816 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587426820 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587426865 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 ZINC000587426868 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587426920 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587426921 KK Annotated Anodyne COc1cc2c3c(c1)OC1(CCC(NC(=O)OCC4c5ccccc5-c5ccccc54)(C(=O)O)CC1)[C@@H](C2)C3=O ZINC000587426946 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587427024 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587427027 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1-c1cccc(F)c1 ZINC000587427053 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1-c1cccc(F)c1 ZINC000587427058 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1nc4ccccc4c4ccccc14)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587427173 KK Annotated Bother COc1cc2c3c(c1)O[C@](Cc1nc4ccccc4c4ccccc14)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O ZINC000587427179 KK Annotated Bother COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1I)[C@@H](C2)C3=O ZINC000587427191 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1I)[C@@H](C2)C3=O ZINC000587427194 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(I)cc4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587427207 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(I)cc4)nc4ccccn14)[C@@H](C2)C3=O ZINC000587427210 KK Annotated Anodyne CCCCCCCCCCN(C[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587427308 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587427310 KK Annotated Mild COc1cc2c3c(c1)O[C@H]([C@H](Cc1ccccc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587427391 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](Cc1ccccc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587427392 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587427397 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587427398 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587427399 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(NC5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587427400 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427438 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427443 KK Annotated Anodyne COc1cc2c3c(c1)OC1(c4cc(I)ccc4-c4ccc(I)cc41)[C@@H](C2)C3=O ZINC000587427472 KK Annotated Anodyne C=CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OC)c1OCc1ccc(I)cc1 ZINC000587427556 KK Annotated Mild C=CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OC)c1OCc1ccc(I)cc1 ZINC000587427561 KK Annotated Mild CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427677 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427679 KK Annotated Anodyne CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427696 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427697 KK Annotated Mild COc1cc2c3c(c1)O[C@](C1CC1)([C@H](c1ccccc1F)N1CCc4sc(OC(C)=O)cc4C1)[C@@H](C2)C3=O ZINC000587427722 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](c1ccccc1F)N1CCc4sc(OC(C)=O)cc4C1)[C@@H](C2)C3=O ZINC000587427724 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](c1ccccc1F)N1CCc4sc(OC(C)=O)cc4C1)[C@@H](C2)C3=O ZINC000587427725 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](c1ccccc1F)N1CCc4sc(OC(C)=O)cc4C1)[C@@H](C2)C3=O ZINC000587427726 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3C1=N2 ZINC000587427812 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3C1=N2 ZINC000587427816 KK Annotated Reactive CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427819 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587427823 KK Annotated Mild COc1cc2c3c(c1)O[C@@](c1c(F)ccc(N[S@](=O)C(C)C)c1F)(c1c[nH]c4ncc(-c5cccnc5)cc14)[C@@H](C2)C3=O ZINC000587427850 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(F)ccc(N[S@](=O)C(C)C)c1F)(c1c[nH]c4ncc(-c5cccnc5)cc14)[C@@H](C2)C3=O ZINC000587427859 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1c(F)ccc(N[S@@](=O)C(C)C)c1F)(c1c[nH]c4ncc(-c5cccnc5)cc14)[C@@H](C2)C3=O ZINC000587427861 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1c(F)ccc(N[S@@](=O)C(C)C)c1F)(c1c[nH]c4ncc(-c5cccnc5)cc14)[C@@H](C2)C3=O ZINC000587427863 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1I)(c1cn(C[C@@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587427888 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1I)(c1cn(C[C@@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587427889 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1I)(c1cn(C[C@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587427890 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1I)(c1cn(C[C@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587427891 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)[C@@H](C2)C3=O ZINC000587427902 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)[C@@H](C2)C3=O ZINC000587427903 KK Annotated Reactive CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1-c1ccccc1F ZINC000587428272 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1-c1ccccc1F ZINC000587428274 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4I)s1)(C(C)C)[C@@H](C2)C3=O ZINC000587428333 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4I)s1)(C(C)C)[C@@H](C2)C3=O ZINC000587428337 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587428479 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1F ZINC000587428485 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587428632 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)nc1)[C@@H](C2)C3=O ZINC000587428633 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587428664 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587428665 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCN1CC=C(n4c(O)nc5ccccc54)CC1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428694 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CCCN1CC=C(n4c(O)nc5ccccc54)CC1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428697 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cc(I)c(OCc4ccccc4)c(Cl)n1)[C@@H](C2)C3=O ZINC000587428700 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(OCc4ccccc4)c(Cl)n1)[C@@H](C2)C3=O ZINC000587428701 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](Br)[C@@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428720 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](Br)[C@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428723 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](Br)[C@@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428724 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](Br)[C@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587428725 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)c(I)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587428762 KK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)c(I)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587428764 KK Annotated Bother COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1I)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587428792 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1I)(c1c(F)cccc1F)[C@@H](C2)C3=O ZINC000587428795 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(N(c4ccc(I)cc4)c4ccc(I)cc4)cc1)[C@@H](C2)C3=O ZINC000587428992 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(N(c4ccc(I)cc4)c4ccc(I)cc4)cc1)[C@@H](C2)C3=O ZINC000587428993 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cc(Cl)ccc1I)(c1c(F)cccc1OC)[C@@H](C2)C3=O ZINC000587428994 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc(Cl)ccc1I)(c1c(F)cccc1OC)[C@@H](C2)C3=O ZINC000587428995 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429008 KK Annotated Bother COc1cc2c3c(c1)O[C@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429012 KK Annotated Bother COc1cc2c3c(c1)O[C@@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429014 KK Annotated Bother COc1cc2c3c(c1)O[C@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587429017 KK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)C(=O)C(C)C)[C@@H](C2)C3=O ZINC000587429040 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)C(=O)C(C)C)[C@@H](C2)C3=O ZINC000587429046 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)C(=O)C(C)C)[C@@H](C2)C3=O ZINC000587429048 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)C(=O)C(C)C)[C@@H](C2)C3=O ZINC000587429051 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587429133 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587429135 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587429137 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(C)C)([C@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587429139 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccc(N(c5ccccc5)c5ccccc5)cc4C(=O)c4ccc(N(c5ccccc5)c5ccccc5)cc41)[C@@H](C2)C3=O ZINC000587429187 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccc(N(c5ccccc5)c5ccccc5)cc4C(=O)c4ccc(N(c5ccccc5)c5ccccc5)cc41)[C@@H](C2)C3=O ZINC000587429188 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(CI)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587429332 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4c(OCc5ccccc5)cccc14)[C@@H](C2)C3=O ZINC000587429337 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4c(OCc5ccccc5)cccc14)[C@@H](C2)C3=O ZINC000587429338 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(CI)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587429339 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429418 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1Cl)[C@@H](C2)C3=O ZINC000587429439 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CC[C@H]1C(=O)N(c4ccc(F)cc4)[C@@H]1c1ccc(O)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429499 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CC[C@H]1C(=O)N(c4ccc(F)cc4)[C@@H]1c1ccc(O)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O ZINC000587429500 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@@H](NC(=O)c1ccco1)Nc1ccccc1OC)[C@@H](C2)C3=O ZINC000587429605 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@H](NC(=O)c1ccco1)Nc1ccccc1OC)[C@@H](C2)C3=O ZINC000587429609 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)([C@H](NC(=O)c1ccco1)Nc1ccccc1OC)[C@@H](C2)C3=O ZINC000587429610 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)([C@@H](NC(=O)c1ccco1)Nc1ccccc1OC)[C@@H](C2)C3=O ZINC000587429611 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccc(F)cc4)s1)(c1cc(I)ccc1C)[C@@H](C2)C3=O ZINC000587429659 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(-c4ccc(F)cc4)s1)(c1cc(I)ccc1C)[C@@H](C2)C3=O ZINC000587429663 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(I)nc(Br)c4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O ZINC000587429692 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(I)nc(Br)c4nc(C(C)(C)C)oc14)[C@@H](C2)C3=O ZINC000587429701 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cc(I)c(OCc4ccccc4C#N)c(OC)c1)[C@@H](C2)C3=O ZINC000587429728 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1cc(I)c(OCc4ccccc4C#N)c(OC)c1)[C@@H](C2)C3=O ZINC000587429737 KK Annotated Mild C=CCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587429876 KK Annotated Mild C=CCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587429880 KK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(I)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587430098 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(I)cc4)nc4c(C)cccn14)[C@@H](C2)C3=O ZINC000587430100 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(I)c1OCc1ccc(I)cc1 ZINC000587430106 KK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc(I)c1OCc1ccc(I)cc1 ZINC000587430110 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430143 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430152 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430244 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587430250 KK Annotated Clean CCN(CC)CCOc1ccc2c(c1)C1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587430558 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Oc4ccc(-n5cccc5C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587430607 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430611 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Oc4ccc(-n5cccc5C=O)cc4)cc1)[C@@H](C2)C3=O ZINC000587430612 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587430615 KK Annotated Mild COc1cc2c3c(c1)O[C@@](COC(=O)c1ccc(COC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587430650 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](COC(=O)c1ccc(COC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587430651 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 ZINC000587430675 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2[N+](=O)[O-])cc1 ZINC000587430676 KK Annotated Mild COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc1)[C@@H](C2)C3=O ZINC000587431436 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc1)[C@@H](C2)C3=O ZINC000587431444 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cccc(OCc5ccccc5)c14)[C@@H](C2)C3=O ZINC000587431445 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cccc(OCc5ccccc5)c14)[C@@H](C2)C3=O ZINC000587431448 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Nc5ccc(C)cc5)ccc(Nc5ccc(C)cc5)c41)[C@@H](C2)C3=O ZINC000587431488 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Nc5ccc(C)cc5)ccc(Nc5ccc(C)cc5)c41)[C@@H](C2)C3=O ZINC000587431497 KK Annotated Clean COc1cc2c3c(c1)O[C@H](c1cn(-c4ccccc4)nc1-c1ccc(-c4nn(-c5ccccc5)cc4C=O)cc1)[C@@H](C2)C3=O ZINC000587431589 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccccc4)nc1-c1ccc(-c4nn(-c5ccccc5)cc4C=O)cc1)[C@@H](C2)C3=O ZINC000587431593 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587431757 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587431758 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4C(=O)N4CCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431942 KK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4C(=O)N4CCCC4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587431944 KK Annotated Bother COc1cc2c3c(c1)O[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587431973 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](COC(C)(C)C)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587431974 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587431987 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587431991 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587431992 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](C(=O)O)c1cn(C)c4ccccc14)(c1ccc(C4CCCCC4)cc1)[C@@H](C2)C3=O ZINC000587431994 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c(Nc5cccc6c5C(=O)c5ccccc5C6=O)cccc41)[C@@H](C2)C3=O ZINC000587432011 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c(Nc5cccc6c5C(=O)c5ccccc5C6=O)cccc41)[C@@H](C2)C3=O ZINC000587432013 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(CCCc4c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc41)[C@@H](C2)C3=O ZINC000587432077 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CCCc4c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc41)[C@@H](C2)C3=O ZINC000587432173 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](Cn1c(NCCCO)nc4cc(C)c(C)cc41)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587432523 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](Cn1c(NCCCO)nc4cc(C)c(C)cc41)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587432524 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)[C@]45Oc4cc(OC)cc6c4C(=O)[C@H]5C6)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000587432541 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)[C@@]45Oc4cc(OC)cc6c4C(=O)[C@H]5C6)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000587432542 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cn(C(=O)OC(C)(C)C)c4cc(OCc5ccccc5)ccc14)[C@@H](C2)C3=O ZINC000587432900 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cn(C(=O)OC(C)(C)C)c4cc(OCc5ccccc5)ccc14)[C@@H](C2)C3=O ZINC000587432901 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@@H](NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433025 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@@H](NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C)OC(C)(C)C)[C@@H](C2)C3=O ZINC000587433026 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)CN[C@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587433313 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587433314 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1NC(=O)CN[C@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587433315 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1)[C@@H](C2)C3=O ZINC000587433316 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587433477 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587433478 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(OCCCN)ccc4-c4c5cccc6c5c(c5cccc1c45)-c1ccc(OCCCN)cc1C6=O)[C@@H](C2)C3=O ZINC000587433491 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4cc(OCCCN)ccc4-c4c5cccc6c5c(c5cccc1c45)-c1ccc(OCCCN)cc1C6=O)[C@@H](C2)C3=O ZINC000587433492 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4cccc(NC5CCCCC5)c4C(=O)c4cccc(NC5CCCCC5)c41)[C@@H](C2)C3=O ZINC000587433570 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4cccc(NC5CCCCC5)c4C(=O)c4cccc(NC5CCCCC5)c41)[C@@H](C2)C3=O ZINC000587433571 KK Annotated Clean COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587433653 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587433654 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587433763 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587433764 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccc(N)cc4)cc1)(c1ccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587433822 KK Annotated Clean COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccc(N)cc4)cc1)(c1ccc(C(=O)c4ccc(Oc5ccc(N)cc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587433823 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc5ccccc5c4O[C@@H]1c1ccc(NC4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587433987 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc5ccccc5c4O[C@@H]1c1ccc(NC4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587433988 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc5ccccc5c4O[C@H]1c1ccc(NC4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587433989 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc5ccccc5c4O[C@H]1c1ccc(NC4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587433990 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cccc(Nc5cccc6c5C(=O)c5ccccc5C6=O)c41)[C@@H](C2)C3=O ZINC000587434015 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cccc(Nc5cccc6c5C(=O)c5ccccc5C6=O)c41)[C@@H](C2)C3=O ZINC000587434016 KK Annotated Clean CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434692 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587434693 KK Annotated Bother COc1cc2c3c(c1)O[C@@](c1ccc(OC)c4ccccc14)(c1ncc(C(=O)O)c4cc(OC)c(OC)cc14)[C@@H](C2)C3=O ZINC000587435407 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(OC)c4ccccc14)(c1ncc(C(=O)O)c4cc(OC)c(OC)cc14)[C@@H](C2)C3=O ZINC000587435408 KK Annotated Anodyne CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587435523 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587435527 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4N(C)c4cc5c(=O)c6ccccc6n(C)c5cc41)[C@@H](C2)C3=O ZINC000587435740 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4ccccc4N(C)c4cc5c(=O)c6ccccc6n(C)c5cc41)[C@@H](C2)C3=O ZINC000587435741 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587435861 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587435868 KK Annotated Bother COc1cc2c3c(c1)OC1(c4ccccc4C(Cc4ccncc4)(Cc4ccncc4)c4ccccc41)[C@@H](C2)C3=O ZINC000587435869 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587435905 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 ZINC000587435906 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437408 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587437409 KK Annotated Mild CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587437479 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587437481 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587437483 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587437485 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5cc(OC)cc6c5C(=O)[C@H]3C6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587438034 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5cc(OC)cc6c5C(=O)[C@H]3C6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587438035 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4[C@@H]5CC[C@@H]6[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@@H]5C[C@@H]4[C@@]4(C)CC[C@H](O)C[C@@H]41)[C@@H](C2)C3=O ZINC000587438038 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4[C@@H]5CC[C@@H]6[C@@H](CN7C[C@@H](C)CC[C@H]7[C@@]6(C)O)[C@@H]5C[C@@H]4[C@@]4(C)CC[C@H](O)C[C@H]14)[C@@H](C2)C3=O ZINC000587438039 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587438294 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587438295 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C(=O)O)[C@H]4C1)[C@@H](C2)C3=O ZINC000587438296 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H](C(=O)O)[C@@H]4C1)[C@@H](C2)C3=O ZINC000587438297 KK Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438356 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438363 KK Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438368 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587438370 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc4ccccc14)(c1cn(C[C@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587438569 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc4ccccc14)(c1cn(C[C@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587438575 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cccc4ccccc14)(c1cn(C[C@@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587438615 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cccc4ccccc14)(c1cn(C[C@@H]4CCCCN4C)c4ccccc14)[C@@H](C2)C3=O ZINC000587438618 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438907 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587438908 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@@H](CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H]4C(=O)O)C1)[C@@H](C2)C3=O ZINC000587438997 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@@H](CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H]4C(=O)O)C1)[C@@H](C2)C3=O ZINC000587439000 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H](C(=O)O)N(C(=O)OCC5c6ccccc6-c6ccccc65)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587439003 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4[C@H](CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H]4C(=O)O)C1)[C@@H](C2)C3=O ZINC000587439006 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cn(C[C@H]4CCCCN4C)c4ccccc14)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587439425 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1cn(C[C@@H]4CCCCN4C)c4ccccc14)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587439432 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cn(C[C@@H]4CCCCN4C)c4ccccc14)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587439435 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1cn(C[C@H]4CCCCN4C)c4ccccc14)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O ZINC000587439440 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc1[nH]c5c(ccc6c(=O)c7ccccc7c(=O)c65)[nH]c41)[C@@H](C2)C3=O ZINC000587439515 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc1[nH]c5c(ccc6c(=O)c7ccccc7c(=O)c65)[nH]c41)[C@@H](C2)C3=O ZINC000587439525 KK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c4c(O)c5c(O)c(C)c6c(c5c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)C(=O)N4)O6)[C@@H](C2)C3=O ZINC000587439581 KK Annotated Clean COc1cc2c3c(c1)O[C@@H](c1c4c(O)c5c(O)c(C)c6c(c5c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)C(=O)N4)O6)[C@@H](C2)C3=O ZINC000587439592 KK Annotated Clean COc1cc2c3c(c1)O[C@H](c1ccc(OC(c4ccccc4)(c4ccccc4)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587439722 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OC(c4ccccc4)(c4ccccc4)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587439724 KK Annotated Anodyne CCCCCCCCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCCCCCCCC)cc1C=O ZINC000587439908 KK Annotated Mild CCCCCCCCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCCCCCCCC)cc1C=O ZINC000587439913 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587440295 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587440299 KK Annotated Anodyne COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587440303 KK Annotated Mild COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587440305 KK Annotated Anodyne COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587440306 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587440312 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587440437 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587440442 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc5ccccc5c4O[C@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587440481 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc5ccccc5c4O[C@@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587440482 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc5ccccc5c4O[C@@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587440483 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc5ccccc5c4O[C@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587440484 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587440495 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587440496 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587440497 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(OC)c4)Oc4cc(C)c(C)cc41)[C@@H](C2)C3=O ZINC000587440498 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(C)=C(OC)C1=O ZINC000587440535 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(C)=C(OC)C1=O ZINC000587440540 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(C)=C(OC)C1=O ZINC000587440542 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C(C)=C(OC)C1=O ZINC000587440543 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc5ccccc5c4O[C@@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587440565 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc5ccccc5c4O[C@@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587440567 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4ccc5ccccc5c4O[C@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587440570 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccc5ccccc5c4O[C@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587440573 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc5[nH]c6c(ccc7c(=O)c8ccccc8c(=O)c76)[nH]c5c41)[C@@H](C2)C3=O ZINC000587440662 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc5[nH]c6c(ccc7c(=O)c8ccccc8c(=O)c76)[nH]c5c41)[C@@H](C2)C3=O ZINC000587440670 KK Annotated Clean CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440829 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440844 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440847 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587440850 KK Annotated Mild COc1cc2c3c(c1)O[C@](CCCN1CCC(OC(c4ccccc4)c4ccccc4)CC1)(c1ccc(C(C)(C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587440973 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCN1CCC(OC(c4ccccc4)c4ccccc4)CC1)(c1ccc(C(C)(C)C(=O)O)cc1)[C@@H](C2)C3=O ZINC000587440974 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CCC6=C(OC(C)=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587441030 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CCC6=C(OC(C)=O)C(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587441051 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4c5c(C)c(O)c6c(O)c(c(C=O)c(O)c46)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O5)[C@@H](C2)C3=O ZINC000587441247 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c5c(C)c(O)c6c(O)c(c(C=O)c(O)c46)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O5)[C@@H](C2)C3=O ZINC000587441250 KK Annotated Anodyne CC[C@@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441440 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441449 KK Annotated Anodyne CC[C@@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441451 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441454 KK Annotated Anodyne CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441496 KK Annotated Mild COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5C(=O)C=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587441529 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5C(=O)C=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587441535 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587441546 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587441549 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587441556 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(Oc2cc(OC)cc4c2C(=O)[C@H]1C4)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587441565 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(Oc4ccccc4)cc1)(c1ccc(C(=O)c4ccc(Oc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587441697 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Oc4ccccc4)cc1)(c1ccc(C(=O)c4ccc(Oc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587441712 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](OC(=O)c6ccccc6)CC[C@@H]54)C1)[C@@H](C2)C3=O ZINC000587441831 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](OC(=O)c6ccccc6)CC[C@@H]54)C1)[C@@H](C2)C3=O ZINC000587441844 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441848 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587441856 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587442055 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(C(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587442062 KK Annotated Anodyne CCCCC(=O)O[C@]1([C@@]2(CO)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587442315 KK Annotated Mild CCCCC(=O)O[C@]1([C@]2(CO)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587442321 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442392 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442393 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442394 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(O)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442395 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(OC)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442405 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(OC)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442406 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(N5CCCC5)c(OC)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442407 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(N5CCCC5)c(OC)c4)Oc4c1ccc1ccccc41)[C@@H](C2)C3=O ZINC000587442410 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@@H](C)[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1)c1ccccc1 ZINC000587442436 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@@H](C)[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1)c1ccccc1 ZINC000587442440 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1)c1ccccc1 ZINC000587442441 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)CC1)c1ccccc1 ZINC000587442443 KK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442552 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587442562 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587442565 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587442566 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCCOc4ccc(OCc5ccccc5)cc4)c1)[C@@H](C2)C3=O ZINC000587442605 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCCOc4ccc(OCc5ccccc5)cc4)c1)[C@@H](C2)C3=O ZINC000587442607 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1cccc(OCCCOc4ccc(OCc5ccccc5)cc4)c1)[C@@H](C2)C3=O ZINC000587442609 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1cccc(OCCCOc4ccc(OCc5ccccc5)cc4)c1)[C@@H](C2)C3=O ZINC000587442610 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]41C)[C@@H](C2)C3=O ZINC000587442673 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587442678 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]41C)[C@@H](C2)C3=O ZINC000587442681 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@@H]5CC[C@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587442682 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587442683 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@@H]5CC[C@H]6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587442684 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442732 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442735 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587442737 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)c(C)cc4O[C@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443049 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)c(C)cc4O[C@@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443054 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)c(C)cc4O[C@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443060 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)c(C)cc4O[C@@H]1c1ccc(N4CCCC4)c(OC)c1)[C@@H](C2)C3=O ZINC000587443064 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@@H]1CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587443209 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@]41C)[C@@H](C2)C3=O ZINC000587443211 KK Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@H]1CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@]41C)[C@@H](C2)C3=O ZINC000587443213 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@H]1CC[C@@H]4[C@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](OC(C)=O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587443215 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cc4cc(C(=O)c5ccccc5)c(O)cc4OC)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587443314 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cc4cc(C(=O)c5ccccc5)c(O)cc4OC)c(OC)cc1O)[C@@H](C2)C3=O ZINC000587443315 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4cc(OCCCC(=O)O)ccc4-c4c5cccc6c5c(c5cccc1c45)-c1ccc(OCCCC(=O)O)cc1C6=O)[C@@H](C2)C3=O ZINC000587443368 KK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4cc(OCCCC(=O)O)ccc4-c4c5cccc6c5c(c5cccc1c45)-c1ccc(OCCCC(=O)O)cc1C6=O)[C@@H](C2)C3=O ZINC000587443387 KK Annotated Bother CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCCC ZINC000587443444 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1OCCC ZINC000587443449 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4C5=CCc6cc(OC(=O)c7ccccc7)ccc6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587443455 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4C5=CCc6cc(OC(=O)c7ccccc7)ccc6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587443464 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587443521 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCOc4ccc(OCc5ccccc5)cc4)cc1)[C@@H](C2)C3=O ZINC000587443526 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5C[C@H](OC(C)=O)[C@@]41C)[C@@H](C2)C3=O ZINC000587443745 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5C[C@H](OC(C)=O)[C@@]41C)[C@@H](C2)C3=O ZINC000587443755 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C(=O)O)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587443956 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@@H](C(=O)O)C[C@H]4C1)[C@@H](C2)C3=O ZINC000587443957 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H](C(=O)O)C[C@@H]4C1)[C@@H](C2)C3=O ZINC000587443958 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(C(=O)OCC5c6ccccc6-c6ccccc65)[C@H](C(=O)O)C[C@H]4C1)[C@@H](C2)C3=O ZINC000587443959 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443997 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587443999 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444002 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 ZINC000587444005 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444010 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc4cc(C(=O)c5c(C)ccc6cc(C)ccc56)ccc4c1)(c1c(C)ccc4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587444102 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc4cc(C(=O)c5c(C)ccc6cc(C)ccc56)ccc4c1)(c1c(C)ccc4cc(C)ccc14)[C@@H](C2)C3=O ZINC000587444147 KK Annotated Anodyne CC[C@@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444383 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444385 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444386 KK Annotated Anodyne CC[C@@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444388 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587444565 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587444566 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587444567 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O ZINC000587444568 KK Annotated Mild COc1cc2c3c(c1)O[C@@](c1ccc(C(=O)c4c(C)cc(C(C)(C)C)cc4C)cc1)(c1c(C)cc(C(C)(C)C)cc1C)[C@@H](C2)C3=O ZINC000587444746 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(=O)c4c(C)cc(C(C)(C)C)cc4C)cc1)(c1c(C)cc(C(C)(C)C)cc1C)[C@@H](C2)C3=O ZINC000587444753 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444958 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587444961 KK Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587444972 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@@H]6[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587444974 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587445035 KK Annotated Mild COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(C)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O ZINC000587445036 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445043 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(OC)cc8c7C(=O)[C@H]6C8)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587445119 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(Oc7cc(OC)cc8c7C(=O)[C@H]6C8)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587445126 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7cc(OC)cc8c7C(=O)[C@H]6C8)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587445129 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(Oc7cc(OC)cc8c7C(=O)[C@H]6C8)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587445131 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445137 KK Annotated Mild COc1cc2c3c(c1)O[C@](CCCN1CCC(OC(c4ccccc4)c4ccccc4)CC1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587445316 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CCCN1CCC(OC(c4ccccc4)c4ccccc4)CC1)(c1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O ZINC000587445317 KK Annotated Anodyne CC[C@@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445605 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445606 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445607 KK Annotated Anodyne CC[C@@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587445608 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c5c(C)c(O)c6c(O)c(c(/C=N/N7CCN(C)CC7)c(O)c46)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O5)[C@@H](C2)C3=O ZINC000587445896 KK Annotated Mild COc1cc2c3c(c1)O[C@]1(c4c5c(C)c(O)c6c(O)c(c(/C=N/N7CCN(C)CC7)c(O)c46)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O5)[C@@H](C2)C3=O ZINC000587445897 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)c(C)cc4O[C@@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587445912 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)c(C)cc4O[C@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587445916 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)c(C)cc4O[C@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587445920 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)c(C)cc4O[C@@H]1c1ccc(N4CCCC4)c(O)c1)[C@@H](C2)C3=O ZINC000587445925 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(C(=O)C(=O)c4ccccc4)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587446029 KK Annotated Clean COc1cc2c3c(c1)O[C@](C(=O)c1ccc(C(=O)C(=O)c4ccccc4)cc1)(c1ccccc1)[C@@H](C2)C3=O ZINC000587446030 KK Annotated Clean COc1cc2c3c(c1)O[C@@](C(=O)c1ccc(-c4ccccc4)cc1)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587446048 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C(=O)c1ccc(-c4ccccc4)cc1)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587446049 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@H](CC(=O)[C@@H]5[C@@H]4CC(=O)[C@@]4(C)[C@H]5CC[C@@H]4[C@H](C)CCC(=O)O)C1)[C@@H](C2)C3=O ZINC000587446304 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@H](CC(=O)[C@@H]5[C@@H]4CC(=O)[C@@]4(C)[C@H]5CC[C@@H]4[C@H](C)CCC(=O)O)C1)[C@@H](C2)C3=O ZINC000587446305 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@]4(C)[C@H]5CC(=O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]5C(=O)C[C@H]4C1)[C@@H](C2)C3=O ZINC000587446306 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@]4(C)[C@H]5CC(=O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]5C(=O)C[C@H]4C1)[C@@H](C2)C3=O ZINC000587446307 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc5c6ccc7c8ccccc8c(=O)c8ccc(c9ccc1c4c95)c6c87)[C@@H](C2)C3=O ZINC000587446311 KK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc5c6ccc7c8ccccc8c(=O)c8ccc(c9ccc1c4c95)c6c87)[C@@H](C2)C3=O ZINC000587446312 KK Annotated Bother COc1cc2c3c(c1)O[C@@](C(=O)c1ccccc1)(c1ccc(C(=O)C(=O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587446406 KK Annotated Clean COc1cc2c3c(c1)O[C@](C(=O)c1ccccc1)(c1ccc(C(=O)C(=O)c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587446408 KK Annotated Clean COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CCC4=C6CC(C)(C)CC[C@]6(C)CC[C@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587447012 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CCC4=C6CC(C)(C)CC[C@]6(C)CC[C@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587447013 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CCC4=C6CC(C)(C)CC[C@]6(C)CC[C@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587447014 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CCC4=C6CC(C)(C)CC[C@]6(C)CC[C@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587447015 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(Oc7cc(OC)cc8c7C(=O)[C@H]6C8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587447101 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(Oc7cc(OC)cc8c7C(=O)[C@H]6C8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587447102 KK Annotated Mild COc1cc2c3c(c1)OC1(c4ccccc4C(=C4c5ccccc5C(=O)c5ccccc54)c4ccccc41)[C@@H](C2)C3=O ZINC000587447109 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447154 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447155 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](C[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447156 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=O)(c1ccccc1)[C@@H](C2)C3=O ZINC000587447157 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587447530 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587447531 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1P(C1CCCCC1)C1CCCCC1)[C@@H](C2)C3=O ZINC000587447544 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1P(C1CCCCC1)C1CCCCC1)[C@@H](C2)C3=O ZINC000587447545 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447570 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@]5(C)CC[C@@]6(C)[C@@H]7CC(C)(C)CC[C@]7(C)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]1C)[C@@H](C2)C3=O ZINC000587447624 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@]5(C)CC[C@@]6(C)[C@@H]7CC(C)(C)CC[C@]7(C)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]1C)[C@@H](C2)C3=O ZINC000587447625 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447670 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447672 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587447673 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)[C@@H](C2)C3=O ZINC000587447682 KK Annotated Unstable COc1cc2c3c(c1)O[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)[C@@H](C2)C3=O ZINC000587447683 KK Annotated Unstable COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(S(=O)(=O)N5CCCCC5)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587447734 KK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(S(=O)(=O)N5CCCCC5)cc4[N+](=O)[O-])c(OC)c1)[C@@H](C2)C3=O ZINC000587447735 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1O ZINC000587447946 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@H]1O ZINC000587447951 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1O ZINC000587447953 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H]1O ZINC000587447955 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)c1 ZINC000587448099 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2OC)c1 ZINC000587448108 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4cc(O)c5c6c(O)cc7c8ccccc8c(=O)c8ccc(c9ccc1c4c95)c6c87)[C@@H](C2)C3=O ZINC000587448221 KK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4cc(O)c5c6c(O)cc7c8ccccc8c(=O)c8ccc(c9ccc1c4c95)c6c87)[C@@H](C2)C3=O ZINC000587448222 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4c(O)cc(O)c5c6c(O)cc(O)c7c(=O)c8c(O)cc(CO)c9c%10c(C)cc(O)c1c%10c(c45)c(c76)c89)[C@@H](C2)C3=O ZINC000587448247 KK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(O)c5c6c(O)cc(O)c7c(=O)c8c(O)cc(CO)c9c%10c(C)cc(O)c1c%10c(c45)c(c76)c89)[C@@H](C2)C3=O ZINC000587448248 KK Annotated Bother COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(C)c5c6c(C)cc(O)c7c(=O)c8c(O)cc(O)c9c%10c(O)cc(O)c1c%10c(c45)c(c76)c89)[C@@H](C2)C3=O ZINC000587448249 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4c(O)cc(C)c5c6c(C)cc(O)c7c(=O)c8c(O)cc(O)c9c%10c(O)cc(O)c1c%10c(c45)c(c76)c89)[C@@H](C2)C3=O ZINC000587448250 KK Annotated Bother COc1cc2c3c(c1)O[C@@](C)([C@H]1CC[C@H]4[C@@H]5C[C@H](C)C6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587448495 KK Annotated Mild COc1cc2c3c(c1)O[C@](C)([C@H]1CC[C@H]4[C@@H]5C[C@H](C)C6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]41C)[C@@H](C2)C3=O ZINC000587448496 KK Annotated Mild CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587448573 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587448574 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587448575 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587448576 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587448600 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O ZINC000587448601 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)(c1cccc4ccccc14)[C@@H](C2)C3=O ZINC000587448610 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccn(S(=O)(=O)c4ccc(C)cc4)c1)(c1cccc4ccccc14)[C@@H](C2)C3=O ZINC000587448611 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)[C@@H](C2)C3=O ZINC000587448620 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)[C@@H](C2)C3=O ZINC000587448621 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H](c1c(O)c(O)c(C(C)C)c4cc(C)c(-c5c(C)cc6c(C(C)C)c(O)c(O)c(C=O)c6c5O)c(O)c14)[C@@H](C2)C3=O ZINC000587448779 KK Annotated Clean COc1cc2c3c(c1)O[C@H](c1c(O)c(O)c(C(C)C)c4cc(C)c(-c5c(C)cc6c(C(C)C)c(O)c(O)c(C=O)c6c5O)c(O)c14)[C@@H](C2)C3=O ZINC000587448780 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587448863 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC[C@@H]4[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587448864 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448950 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OS(=O)(=O)c1ccc(C)cc1)[C@@H](C2)C3=O ZINC000587448951 KK Annotated Anodyne CC[C@]1([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448961 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448965 KK Annotated Anodyne CC[C@]1([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448967 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587448968 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-c4sccc4Br)cc1)[C@@H](C2)C3=O ZINC000587449067 KK Annotated Reactive COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4sccc4Br)cc1)[C@@H](C2)C3=O ZINC000587449070 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587449094 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587449101 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587449103 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587449105 KK Annotated Mild CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)nc1C ZINC000587449115 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)nc1C ZINC000587449117 KK Annotated Anodyne COc1cc2c3c(c1)OC(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587449388 KK Annotated Reactive COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)Oc4c(CC=C(C)C)c(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587449433 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@@]4(C)[C@H](CC[C@@]5(C)[C@H]4[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587449445 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)Oc4c(CC=C(C)C)c(OC)cc(OC)c41)[C@@H](C2)C3=O ZINC000587449448 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@]4(C)[C@@H]5[C@@H](O)CC6=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]6(C)[C@@]5(C)CC[C@H]4C1(C)C)[C@@H](C2)C3=O ZINC000587449454 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@]4(C)[C@@H]5[C@@H](O)CC6=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]6(C)[C@@]5(C)CC[C@H]4C1(C)C)[C@@H](C2)C3=O ZINC000587449459 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC[C@@]4(C)[C@H](CC[C@@]5(C)[C@H]4[C@@H](O)CC4=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]45C)C1(C)C)[C@@H](C2)C3=O ZINC000587449461 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C(Br)Br)CC2=O ZINC000587449568 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C(Br)Br)CC2=O ZINC000587449575 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(-c5ccc(Br)s5)s4)s1)[C@@H](C2)C3=O ZINC000587449789 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(-c5ccc(Br)s5)s4)s1)[C@@H](C2)C3=O ZINC000587449790 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587449827 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587449832 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(=O)C=C4C(=CC=C5[C@@]4(C)CC[C@@]4(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]54C)[C@H]1C)[C@@H](C2)C3=O ZINC000587449888 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C=C4C(=CC=C5[C@@]4(C)CC[C@@]4(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]54C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587449889 KK Annotated Mild COc1cc2c3c(c1)O[C@]1(C(=O)C=C4C(=CC=C5[C@@]4(C)CC[C@@]4(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]54C)[C@@H]1C)[C@@H](C2)C3=O ZINC000587449890 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C(=O)C=C4C(=CC=C5[C@@]4(C)CC[C@@]4(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]54C)[C@H]1C)[C@@H](C2)C3=O ZINC000587449891 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(c4c(O)cc(CO)c5c6c(C)cc(O)c7c(=O)c8c(O)cc(O)c9c%10c(O)cc(O)c1c%10c(c45)c(c76)c89)[C@@H](C2)C3=O ZINC000587449909 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4c(O)cc(CO)c5c6c(C)cc(O)c7c(=O)c8c(O)cc(O)c9c%10c(O)cc(O)c1c%10c(c45)c(c76)c89)[C@@H](C2)C3=O ZINC000587449910 KK Annotated Bother COc1cc2c3c(c1)O[C@@](CO)([C@@H]1CC[C@H]4[C@@]1(C)CC[C@H]1[C@@]5(C)CCC(=O)C=C5CC[C@@]14C)[C@@H](C2)C3=O ZINC000587449913 KK Annotated Mild COc1cc2c3c(c1)O[C@@](CO)([C@@H]1CC[C@H]4[C@]1(C)CC[C@H]1[C@@]5(C)CCC(=O)C=C5CC[C@]41C)[C@@H](C2)C3=O ZINC000587449914 KK Annotated Mild COc1cc2c3c(c1)O[C@](CO)([C@@H]1CC[C@@H]4[C@@]5(C)CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]41C)[C@@H](C2)C3=O ZINC000587449915 KK Annotated Mild COc1cc2c3c(c1)O[C@](CO)([C@@H]1CC[C@H]4[C@]1(C)CC[C@H]1[C@@]5(C)CCC(=O)C=C5CC[C@]41C)[C@@H](C2)C3=O ZINC000587449917 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1(C[C@H]4[C@@H](CC[C@H]5C[C@@H](OC(C)=O)CC[C@@]54C)[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@]41C)[C@@H](C2)C3=O ZINC000587449980 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H]4[C@@H](CC[C@H]5C[C@@H](OC(C)=O)CC[C@@]54C)[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@]41C)[C@@H](C2)C3=O ZINC000587450001 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450052 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587450054 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1ccccc1C(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587450153 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1ccccc1C(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587450162 KK Annotated Anodyne COC(=O)C([C@@]1(C2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587450212 KK Annotated Unstable COC(=O)C([C@]1(C2CCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587450217 KK Annotated Unstable COc1cc2c3c(c1)O[C@@]1(C(c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450287 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O ZINC000587450295 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587450369 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587450371 KK Annotated Mild CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587450432 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587450433 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)C(C)(C)Br)CC2=O ZINC000587450620 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)C(C)(C)Br)CC2=O ZINC000587450626 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587450637 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1c(N)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587450638 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587450639 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Br)cc1)(c1c(N)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587450640 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587450695 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)[C@@H](C2)C3=O ZINC000587450696 KK Annotated Mild COc1cc2c3c(c1)O[C@H](c1c(CSc4ccc(C)cc4)nn(C)c1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587451012 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(CSc4ccc(C)cc4)nn(C)c1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587451013 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CCSC)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587451026 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H]([C@H](CCSC)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587451027 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587451094 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587451095 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)CC2=O ZINC000587451096 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)CC2=O ZINC000587451098 KK Annotated Reactive CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451164 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451165 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451167 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587451168 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(C)nn12 ZINC000587451260 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c(C)nn12 ZINC000587451263 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4c(cc(O)c(CC=C(C)C)c4O)Oc4cc(O)c(OC)c(CC=C(C)C)c41)[C@@H](C2)C3=O ZINC000587451382 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(cc(O)c(CC=C(C)C)c4O)Oc4cc(O)c(OC)c(CC=C(C)C)c41)[C@@H](C2)C3=O ZINC000587451384 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H]4C=C5C(=O)c6c(O)c7c(c(CC=C(C)C)c6O[C@@]56[C@@H](C4)C(C)(C)O[C@]61C/C=C(/C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C7)[C@@H](C2)C3=O ZINC000587451440 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@@H]4C=C5C(=O)c6c(O)c7c(c(CC=C(C)C)c6O[C@@]56[C@@H](C4)C(C)(C)O[C@]61C/C=C(\C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C7)[C@@H](C2)C3=O ZINC000587451450 KK Annotated Mild COc1cc2c3c(c1)O[C@]1([C@@H]4C=C5C(=O)c6c(O)c7c(c(CC=C(C)C)c6O[C@@]56[C@@H](C4)C(C)(C)O[C@]61C/C=C(\C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C7)[C@@H](C2)C3=O ZINC000587451456 KK Annotated Mild COc1cc2c3c(c1)O[C@]1([C@@H]4C=C5C(=O)c6c(O)c7c(c(CC=C(C)C)c6O[C@@]56[C@@H](C4)C(C)(C)O[C@]61C/C=C(/C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C7)[C@@H](C2)C3=O ZINC000587451459 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(O)cc4c(c1O)[C@@H]1[C@@H]5[C@H](CC[C@@]5(C)O4)C1(C)C)[C@@H](C2)C3=O ZINC000587451559 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(O)cc4c(c1O)[C@@H]1[C@@H]5[C@H](CC[C@]5(C)O4)C1(C)C)[C@@H](C2)C3=O ZINC000587451563 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(O)cc4c(c1O)[C@@H]1[C@@H]5[C@@H](CC[C@]5(C)O4)C1(C)C)[C@@H](C2)C3=O ZINC000587451567 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(O)cc4c(c1O)[C@@H]1[C@@H]5[C@@H](CC[C@@]5(C)O4)C1(C)C)[C@@H](C2)C3=O ZINC000587451568 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1C[C@H](c4ccc(-c5ccccc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587451575 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1C[C@H](c4ccc(-c5ccccc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587451579 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@H]1C[C@@H](c4ccc(-c5ccccc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587451580 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4ccccc4OC(=O)[C@@H]1[C@@H]1C[C@@H](c4ccc(-c5ccccc5)cc4)Cc4ccccc41)[C@@H](C2)C3=O ZINC000587451581 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12Oc1cc(OC)cc5c1C(=O)[C@H]2C5)OCOC3=CC4=O ZINC000587451590 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12Oc1cc(OC)cc5c1C(=O)[C@H]2C5)OCOC3=CC4=O ZINC000587451594 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12Oc1cc(OC)cc5c1C(=O)[C@H]2C5)OCOC3=CC4=O ZINC000587451596 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12Oc1cc(OC)cc5c1C(=O)[C@H]2C5)OCOC3=CC4=O ZINC000587451597 KK Annotated Mild COc1cc2c3c(c1)O[C@@H](c1ccc(OS(=O)(=O)c4ccc(Cl)c(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587451739 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(c4cc(O)ccc4-c4c5cccc6c5c(c5cccc1c45)-c1ccc(O)cc1C6=O)[C@@H](C2)C3=O ZINC000587451744 KK Annotated Bother COc1cc2c3c(c1)O[C@]1(c4cc(O)ccc4-c4c5cccc6c5c(c5cccc1c45)-c1ccc(O)cc1C6=O)[C@@H](C2)C3=O ZINC000587451748 KK Annotated Bother COc1cc2c3c(c1)O[C@H](c1ccc(OS(=O)(=O)c4ccc(Cl)c(Cl)c4)c(OC)c1)[C@@H](C2)C3=O ZINC000587451749 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587451805 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O ZINC000587451810 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(Cl)c(Cl)c4)nc4sc5ccccc5n14)[C@@H](C2)C3=O ZINC000587451908 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(Cl)c(Cl)c4)nc4sc5ccccc5n14)[C@@H](C2)C3=O ZINC000587451912 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(Oc4ccc(-c5ccccc5)cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587452066 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(Oc4ccc(-c5ccccc5)cc4)=C(C)Oc4cc(O)ccc41)[C@@H](C2)C3=O ZINC000587452067 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452307 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452308 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(CC[C@]4(C)C5=C(CC[C@H]4C1(C)C)[C@@]1(C)CC[C@@H]([C@H](CCC=C(C)C)C(=O)O)[C@]1(C)CC5)[C@@H](C2)C3=O ZINC000587452390 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC[C@]4(C)C5=C(CC[C@H]4C1(C)C)[C@@]1(C)CC[C@@H]([C@H](CCC=C(C)C)C(=O)O)[C@]1(C)CC5)[C@@H](C2)C3=O ZINC000587452393 KK Annotated Anodyne CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452441 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452446 KK Annotated Mild COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)Oc5cc(OC)cc6c5C(=O)[C@H]4C6)ccc32)cc1)C(=O)OC ZINC000587452479 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)Oc5cc(OC)cc6c5C(=O)[C@H]4C6)ccc32)cc1)C(=O)OC ZINC000587452480 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587452530 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587452534 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O ZINC000587452535 KK Annotated Reactive COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O ZINC000587452536 KK Annotated Reactive CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452743 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452750 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@H]2CC(C)C)C1(C)C ZINC000587452753 KK Annotated Mild COc1cc2c3c(c1)O[C@@]1([C@@H](C2)C3=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@@H]2CC(C)C)C1(C)C ZINC000587452758 KK Annotated Mild COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@H]2CC(C)C)C1(C)C ZINC000587452760 KK Annotated Mild COc1cc2c3c(c1)O[C@]1([C@@H](C2)C3=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@@H]2CC(C)C)C1(C)C ZINC000587452764 KK Annotated Mild COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)([C@@H](O)c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587452796 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)([C@H](O)c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587452802 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccc(-c4ccccc4)cc1)([C@H](O)c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587452804 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(-c4ccccc4)cc1)([C@@H](O)c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O ZINC000587452806 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452851 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587452859 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)[C@@H](Br)c1ccccc1)CC2=O ZINC000587453075 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)[C@H](Br)c1ccccc1)CC2=O ZINC000587453078 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)[C@H](Br)c1ccccc1)CC2=O ZINC000587453079 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)[C@@H](Br)c1ccccc1)CC2=O ZINC000587453080 KK Annotated Reactive COc1cc2c3c(c1)O[C@@H]([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587453393 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H]([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c4ccccc4-c4ccccc41)[C@@H](C2)C3=O ZINC000587453398 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1Sc1cccc4cccnc14)[C@@H](C2)C3=O ZINC000587453406 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1Sc1cccc4cccnc14)[C@@H](C2)C3=O ZINC000587453408 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CSc1nnc(NC(=O)CCC(=O)O)s1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587453646 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](CSc1nnc(NC(=O)CCC(=O)O)s1)(c1ccc(Cl)cc1Cl)[C@@H](C2)C3=O ZINC000587453650 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1sc(N4CCCCC4)nc1C)[C@@H](C2)C3=O ZINC000587453830 KK Annotated Bother COc1cc2c3c(c1)O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1sc(N4CCCCC4)nc1C)[C@@H](C2)C3=O ZINC000587453836 KK Annotated Bother COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(Sc4ccc(Cl)cc4)n1-c1ccccc1)[C@@H](C2)C3=O ZINC000587453850 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(Sc4ccc(Cl)cc4)n1-c1ccccc1)[C@@H](C2)C3=O ZINC000587453855 KK Annotated Anodyne CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453865 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453870 KK Annotated Reactive CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453873 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587453875 KK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587454002 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C ZINC000587454012 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587454050 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587454051 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587454052 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587454054 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454060 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 ZINC000587454062 KK Annotated Clean COc1cc2c3c(c1)O[C@@]1(c4c(O)ccc(O)c4Oc4c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c41)[C@@H](C2)C3=O ZINC000587454070 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(c4c(O)ccc(O)c4Oc4c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c41)[C@@H](C2)C3=O ZINC000587454076 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]1C2 ZINC000587454086 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]1C2 ZINC000587454088 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]1C2 ZINC000587454090 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)[C@H]1C2 ZINC000587454092 KK Annotated Mild COc1cc2c3c(c1)OC1(c4c5cccc4C(=O)c4cccc(c41)OCCOCCOc1ccc4ccccc4c1-c1c(ccc4ccccc14)OCCOCCO5)[C@@H](C2)C3=O ZINC000587454094 KK Annotated Anodyne COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn(C)c1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587454140 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn(C)c1Sc1ccc(Br)cc1)[C@@H](C2)C3=O ZINC000587454142 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](CBr)(c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587454170 KK Annotated Reactive COc1cc2c3c(c1)O[C@@](CBr)(c1scc(Br)c1Br)[C@@H](C2)C3=O ZINC000587454172 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1c(Sc4ccc(Br)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587454173 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@H](c1c(Sc4ccc(Br)cc4)n(C)c4ccccc14)[C@@H](C2)C3=O ZINC000587454175 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(-c2ccccc2)nn1C ZINC000587454192 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(-c2ccccc2)nn1C ZINC000587454193 KK Annotated Anodyne CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1-2 ZINC000587454265 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1-2 ZINC000587454276 KK Annotated Mild CCCc1c(O)ccc2c1OC(C(Br)Br)(C(Br)Br)CC2=O ZINC000587454311 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587454479 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587454480 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587454481 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@@]4(Oc5cc(OC)cc6c5C(=O)[C@H]4C6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587454482 KK Annotated Mild COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(NC(=O)c4sc5ccccc5c4Cl)c1C)[C@@H](C2)C3=O ZINC000587454489 KK Annotated Reactive COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(NC(=O)c4sc5ccccc5c4Cl)c1C)[C@@H](C2)C3=O ZINC000587454490 KK Annotated Reactive COc1cc2c3c(c1)O[C@H](c1ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587454515 KK Annotated Bother COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O ZINC000587454516 KK Annotated Bother COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454691 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454692 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454693 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 ZINC000587454694 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(CC4(CCC(C(C)(C)C)CC4)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587454723 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(CC4(CCC(C(C)(C)C)CC4)Oc4cc(OCC(=O)O)ccc41)[C@@H](C2)C3=O ZINC000587454724 KK Annotated Anodyne COc1cc2c3c(c1)OC1(c4cccc5c4C(=O)c4c(cccc41)OCCOCCOc1ccc4ccccc4c1-c1c(ccc4ccccc14)OCCOCCO5)[C@@H](C2)C3=O ZINC000587454742 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(O)cc4c5c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]51)O4)[C@@H](C2)C3=O ZINC000587454940 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(O)cc4c5c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]51)O4)[C@@H](C2)C3=O ZINC000587454943 KK Annotated Anodyne COc1cc2c3c(c1)O[C@](c1ccccc1)(c1c(O)cc4c5c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]51)O4)[C@@H](C2)C3=O ZINC000587454947 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1c(O)cc4c5c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]51)O4)[C@@H](C2)C3=O ZINC000587454948 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)CC2=O ZINC000587455353 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)CC2=O ZINC000587455354 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)cc1Br)CC2=O ZINC000587455403 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)cc1Br)CC2=O ZINC000587455404 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C(=O)OCC)cc3)cc1Br)CC2=O ZINC000587455425 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C(=O)OCC)cc3)cc1Br)CC2=O ZINC000587455426 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455457 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455458 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455459 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 ZINC000587455460 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCc3ccccc3)c(OCC)c1)CC2=O ZINC000587455535 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCc3ccccc3)c(OCC)c1)CC2=O ZINC000587455537 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O ZINC000587455585 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O ZINC000587455586 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3c(Br)cc(Br)cc3Br)o1)CC2=O ZINC000587455613 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3c(Br)cc(Br)cc3Br)o1)CC2=O ZINC000587455614 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(OC)ccc(Br)c1C)(c1c(C)cc(OC)c(OC)c1OC)CC2=O ZINC000587455683 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(OC)ccc(Br)c1C)(c1c(C)cc(OC)c(OC)c1OC)CC2=O ZINC000587455686 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](C#N)C(=O)Nc1cc(Br)ccc1Br)CC2=O ZINC000587455687 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br)CC2=O ZINC000587455690 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C#N)C(=O)Nc1cc(Br)ccc1Br)CC2=O ZINC000587455691 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@H](C#N)C(=O)Nc1cc(Br)ccc1Br)CC2=O ZINC000587455692 KK Annotated Mild COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455719 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455720 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455721 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 ZINC000587455722 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(Br)c1)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587455732 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(Br)c1)(C(C(=O)OCC)C(=O)OCC)CC2=O ZINC000587455742 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C(c4ccc(O)cc4)=COc4c5c(c(CC=C(C)C)c(O)c41)OC(C)(C)C=C5)[C@@H](C2)C3=O ZINC000587455765 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C(c4ccc(O)cc4)=COc4c5c(c(CC=C(C)C)c(O)c41)OC(C)(C)C=C5)[C@@H](C2)C3=O ZINC000587455766 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)CC2=O ZINC000587455768 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)CC2=O ZINC000587455769 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(O)c(OCC)cc(Br)c1Br)CC2=O ZINC000587455784 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)c(OCC)cc(Br)c1Br)CC2=O ZINC000587455785 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3c(Br)cc(Br)cc3Br)c1)CC2=O ZINC000587455840 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3c(Br)cc(Br)cc3Br)c1)CC2=O ZINC000587455841 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)CC2=O ZINC000587455843 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)CC2=O ZINC000587455847 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587455849 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)CC2=O ZINC000587455851 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(Cl)cc3Br)c1)CC2=O ZINC000587456056 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(Cl)cc3Br)c1)CC2=O ZINC000587456057 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)CC2=O ZINC000587456058 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)CC2=O ZINC000587456059 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OCc3ccccc3)cc1Br)CC2=O ZINC000587456060 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OCc3ccccc3)cc1Br)CC2=O ZINC000587456061 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)CC2=O ZINC000587456064 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)CC2=O ZINC000587456065 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O ZINC000587456078 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O ZINC000587456079 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(OC)c(OC)cc1Br)CC2=O ZINC000587456141 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)c(OC)cc1Br)CC2=O ZINC000587456143 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@H]4C(C)(C)OC(=O)C=C[C@]4(C)[C@H]4CC[C@@]5(C)[C@H](c6ccoc6)OC(=O)[C@H]6O[C@]65[C@@]41C)[C@@H](C2)C3=O ZINC000587456177 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H]4C(C)(C)OC(=O)C=C[C@]4(C)[C@H]4CC[C@@]5(C)[C@H](c6ccoc6)OC(=O)[C@H]6O[C@]65[C@@]41C)[C@@H](C2)C3=O ZINC000587456178 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)CC2=O ZINC000587456270 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)CC2=O ZINC000587456271 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Br)c(N)c(Br)c1)CC2=O ZINC000587456352 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Br)c(N)c(Br)c1)CC2=O ZINC000587456356 KK Annotated Reactive COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccc(O)cc4)Oc4c(CC=C(C)C)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587456441 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccc(O)cc4)Oc4c(CC=C(C)C)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587456444 KK Annotated Anodyne COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccc(O)cc4)Oc4c(CC=C(C)C)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587456446 KK Annotated Anodyne COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccc(O)cc4)Oc4c(CC=C(C)C)c(O)cc(OC)c41)[C@@H](C2)C3=O ZINC000587456448 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Br)cc1Br)CC2=O ZINC000587456507 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Br)cc1Br)CC2=O ZINC000587456510 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(Br)c1OCc1ccccc1)CC2=O ZINC000587456548 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(Br)c1OCc1ccccc1)CC2=O ZINC000587456549 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)CC2=O ZINC000587456568 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)CC2=O ZINC000587456569 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587456674 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587456688 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCC(=O)OC(C)(C)C)CC2=O ZINC000587456830 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCC(=O)OC(C)(C)C)CC2=O ZINC000587456831 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000587456838 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc(Br)cc2-c2cc(Br)ccc21 ZINC000587456841 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(Br)cc2C(=O)c2ccc(Br)cc21 ZINC000587456874 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O ZINC000587456886 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(Br)cc2C(=O)c2ccc(Br)cc21 ZINC000587456899 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O ZINC000587456901 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc(Cl)cc(Br)c1O)CC2=O ZINC000587456904 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3ccc(Br)cc3Cl)c1)CC2=O ZINC000587456909 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc(Cl)cc(Br)c1O)CC2=O ZINC000587456910 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3ccc(Br)cc3Cl)c1)CC2=O ZINC000587456912 KK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(Br)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587456914 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)CC2=O ZINC000587457005 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)CC2=O ZINC000587457008 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccncc3)nc1-c1ccccc1Br)CC2=O ZINC000587457027 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccncc3)nc1-c1ccccc1Br)CC2=O ZINC000587457033 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)CC2=O ZINC000587457066 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)CC2=O ZINC000587457068 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)CC2=O ZINC000587457200 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)CC2=O ZINC000587457201 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000587457208 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587457211 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Br)cccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587457212 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21 ZINC000587457213 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)CC(NC(=O)OC(C)(C)C)(c2ccc(Br)cc2)C1 ZINC000587457254 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587457260 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)CC2=O ZINC000587457261 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccc(Br)cc1)CC2=O ZINC000587457326 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccc(Br)cc1)CC2=O ZINC000587457327 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000587457366 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000587457367 KK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccccc1Br)(c1ccccc1Br)CC2=O ZINC000587457400 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1cc(Br)ccc1Cl)CC2=O ZINC000587457471 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1cc(Br)ccc1Cl)CC2=O ZINC000587457472 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(Br)cc1)CC2=O ZINC000587457501 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1Oc1ccc(Br)cc1)CC2=O ZINC000587457502 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(Br)cc2)=C(C)Oc2cc(O)ccc21 ZINC000587457515 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(Br)cc2)=C(C)Oc2cc(O)ccc21 ZINC000587457516 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587457517 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587457518 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Br)cc3)nc3cc(Cl)ccn13)CC2=O ZINC000587457519 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Br)cc3)nc3cc(Cl)ccn13)CC2=O ZINC000587457520 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nc(N(C)C)n(-c3ccc(Br)cc3)c1Cl)CC2=O ZINC000587457523 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(N(C)C)n(-c3ccc(Br)cc3)c1Cl)CC2=O ZINC000587457524 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCCC1OCCO1)CC2=O ZINC000587457539 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCCC1OCCO1)CC2=O ZINC000587457540 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc3c(cc21)C(C)(C)c1cc(Br)ccc1-3 ZINC000587457547 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc3c(cc21)C(C)(C)c1cc(Br)ccc1-3 ZINC000587457548 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cc3c(cc1Br)OCCCO3)CC2=O ZINC000587457553 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cc3c(cc1Br)OCCCO3)CC2=O ZINC000587457554 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cc3c(cc1Br)OCCCO3)CC2=O ZINC000587457555 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cc3c(cc1Br)OCCCO3)CC2=O ZINC000587457556 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O ZINC000587457557 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1oc3cc([N+](=O)[O-])ccc3c1N)CC2=O ZINC000587457558 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](CCC(=O)OCC)(CCC(=O)c1ccc(Br)cc1)CC2=O ZINC000587457577 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(CCC(=O)c1ccc(Br)cc1)CC2=O ZINC000587457578 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OC/C=C(/C)CCC=C(C)C)CC2=O ZINC000587457589 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OC/C=C(/C)CCC=C(C)C)CC2=O ZINC000587457590 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OC/C=C(\C)CCC=C(C)C)CC2=O ZINC000587457591 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OC/C=C(\C)CCC=C(C)C)CC2=O ZINC000587457592 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](CC(=O)c1ccc(Br)cc1)C(=O)OCC)CC2=O ZINC000587457595 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](CC(=O)c1ccc(Br)cc1)C(=O)OCC)CC2=O ZINC000587457596 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](CC(=O)c1ccc(Br)cc1)C(=O)OCC)CC2=O ZINC000587457597 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](CC(=O)c1ccc(Br)cc1)C(=O)OCC)CC2=O ZINC000587457598 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(Br)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587457617 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(Br)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587457618 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Br)ccc1NC(=O)CNC(C)=O)CC2=O ZINC000587457637 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Br)ccc1NC(=O)CNC(C)=O)CC2=O ZINC000587457638 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3cccc(Br)c3)c(OC)c1)CC2=O ZINC000587457639 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3cccc(Br)c3)c(OC)c1)CC2=O ZINC000587457640 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000587457656 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OC(=O)c1nn(C)cc1Br)CC2=O ZINC000587457661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OC(=O)c1nn(C)cc1Br)CC2=O ZINC000587457662 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(Br)ccc21 ZINC000587457757 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2cc(Br)ccc21 ZINC000587457758 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c1)CC2=O ZINC000587457759 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(Br)cc3)c(OC)c1)CC2=O ZINC000587457760 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)OCC)C(=O)c1ccccc1)(c1ccc(Br)cc1)CC2=O ZINC000587457777 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)OCC)C(=O)c1ccccc1)(c1ccc(Br)cc1)CC2=O ZINC000587457778 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)OCC)C(=O)c1ccccc1)(c1ccc(Br)cc1)CC2=O ZINC000587457779 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)OCC)C(=O)c1ccccc1)(c1ccc(Br)cc1)CC2=O ZINC000587457780 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccc(Br)cc3)c(OCC)c1)CC2=O ZINC000587457819 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccc(Br)cc3)c(OCC)c1)CC2=O ZINC000587457820 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3c(OC)ccc(Br)c13)CC2=O ZINC000587457840 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3c(OC)ccc(Br)c13)CC2=O ZINC000587457842 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3cccc(Br)c3)nc1C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587457852 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3cccc(Br)c3)nc1C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587457859 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(OC)cc3)nn(-c3ccccc3)c1Br)CC2=O ZINC000587457911 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(OC)cc3)nn(-c3ccccc3)c1Br)CC2=O ZINC000587457912 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587457955 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587457956 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457964 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O ZINC000587457969 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587458012 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(=O)C(Cl)(Cl)Cl)n(C)c1)(c1ccccc1C(=O)O)CC2=O ZINC000587458014 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587458029 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587458030 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587458041 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587458042 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CCc1c(C)nc3ccc(Br)cc3c1Cl)CC2=O ZINC000587458072 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(C)nc3ccc(Br)cc3c1Cl)CC2=O ZINC000587458074 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc13)CC2=O ZINC000587458089 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc13)CC2=O ZINC000587458092 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)CC2=O ZINC000587458102 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)CC2=O ZINC000587458103 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CN1CCN(C(=O)OC(C)(C)C)CC1)(c1ccc(Br)cc1)CC2=O ZINC000587458117 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CN1CCN(C(=O)OC(C)(C)C)CC1)(c1ccc(Br)cc1)CC2=O ZINC000587458119 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)cnc2N(Cc2ccccc2)C(=O)[C@@H]1C(=O)OCC ZINC000587458143 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)cnc2N(Cc2ccccc2)C(=O)[C@@H]1C(=O)OCC ZINC000587458144 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Br)cnc2N(Cc2ccccc2)C(=O)[C@H]1C(=O)OCC ZINC000587458145 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Br)cnc2N(Cc2ccccc2)C(=O)[C@H]1C(=O)OCC ZINC000587458146 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587458155 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587458156 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587458157 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587458158 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)CC2=O ZINC000587458159 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1)CC2=O ZINC000587458160 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)N3CCCC3)c3ccc(Br)cc13)CC2=O ZINC000587458167 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)N3CCCC3)c3ccc(Br)cc13)CC2=O ZINC000587458168 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cncc(Br)c1C)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587458185 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cncc(Br)c1C)([C@H](C)NC(=O)OC(C)(C)C)CC2=O ZINC000587458186 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(-c3ccccc3)c(O)nc3c(C)cc(Br)c1c23 ZINC000587458241 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(-c3ccccc3)c(O)nc3c(C)cc(Br)c1c23 ZINC000587458242 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCc3c(Br)c(Br)c4c(c31)CCO4)CC2=O ZINC000587458247 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Br)c(Br)c4c(c31)CCO4)CC2=O ZINC000587458248 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C ZINC000587458273 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc3c(cc21)-c1ccc(Br)cc1C3(C)C ZINC000587458274 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCC(=O)CCC(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587458277 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)CCC(=O)OCC)(c1ccc(Br)cc1)CC2=O ZINC000587458278 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587458288 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587458291 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)CC2=O ZINC000587458319 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)CC2=O ZINC000587458322 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCNc1ccc(CC)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587458325 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCNc1ccc(CC)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587458328 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cnn(-c3ccccc3)c1)(c1cc(Br)ccc1O)CC2=O ZINC000587458348 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cnn(-c3ccccc3)c1)(c1cc(Br)ccc1O)CC2=O ZINC000587458350 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1ccccc1C(N)=O)(c1ccc(Br)cc1)CC2=O ZINC000587458377 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccccc1C(N)=O)(c1ccc(Br)cc1)CC2=O ZINC000587458380 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc4cc(Br)ccc4c3)o1)CC2=O ZINC000587458387 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc4cc(Br)ccc4c3)o1)CC2=O ZINC000587458390 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn1C)(c1ccc(C)cc1)CC2=O ZINC000587458438 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn1C)(c1ccc(C)cc1)CC2=O ZINC000587458439 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br ZINC000587458479 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1Br ZINC000587458480 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 ZINC000587458493 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 ZINC000587458494 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 ZINC000587458495 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 ZINC000587458496 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458544 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c1)CC2=O ZINC000587458548 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c1)CC2=O ZINC000587458549 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458552 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458555 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458557 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458559 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458561 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458562 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 ZINC000587458563 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(Cl)cc(Cl)cc3Cl)c(OC)c1)CC2=O ZINC000587458653 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(Cl)cc(Cl)cc3Cl)c(OC)c1)CC2=O ZINC000587458655 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3cc(C)c(Cl)cc3C(C)C)c1)CC2=O ZINC000587458670 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3cc(C)c(Cl)cc3C(C)C)c1)CC2=O ZINC000587458680 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)cc3)c(C(=O)OC)c(C)n1CCc1ccc(OC)c(OC)c1)CC2=O ZINC000587458699 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)cc3)c(C(=O)OC)c(C)n1CCc1ccc(OC)c(OC)c1)CC2=O ZINC000587458703 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3c(Br)cc(Br)cc3c1=O)CC2=O ZINC000587458717 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587458718 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587458725 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)CC2=O ZINC000587458736 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1coc3c(Br)cc(Br)cc3c1=O)CC2=O ZINC000587458746 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)CC2=O ZINC000587458757 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1cccc(CC(=O)O)c1N)CC2=O ZINC000587458800 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1cccc(CC(=O)O)c1N)CC2=O ZINC000587458821 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)([C@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O ZINC000587458865 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O ZINC000587458870 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O ZINC000587458874 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)([C@@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O ZINC000587458876 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)CC2=O ZINC000587458914 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](COc1ccc([N+](=O)[O-])cc1)(c1ccc(Br)cc1)CC2=O ZINC000587458926 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3COc4ccc(Br)cc4C3)c1)CC2=O ZINC000587458960 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3COc4ccc(Br)cc4C3)c1)CC2=O ZINC000587458964 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCO[C@H]1CCCCO1)CC2=O ZINC000587458968 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1)CC2=O ZINC000587458972 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1)CC2=O ZINC000587458976 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1OCCCO[C@H]1CCCCO1)CC2=O ZINC000587458978 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc([N+](=O)[O-])c(Br)c3C)c1)CC2=O ZINC000587458981 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc([N+](=O)[O-])c(Br)c3C)c1)CC2=O ZINC000587458988 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)CC2=O ZINC000587459023 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Br)cc3)nc1-c1ccccc1)CC2=O ZINC000587459027 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CNc1ccc(Cl)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587459036 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CNc1ccc(Cl)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587459038 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1cccc(Cl)c1)CC2=O ZINC000587459075 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1cccc(Cl)c1)CC2=O ZINC000587459078 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCN1CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC1)(c1ccc3nc(O)oc3c1)CC2=O ZINC000587459153 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCN1CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC1)(c1ccc3nc(O)oc3c1)CC2=O ZINC000587459154 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)CC2=O ZINC000587459229 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)CC2=O ZINC000587459231 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)C[C@]1(C)C1CCCC1 ZINC000587459287 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)C[C@]1(C)C1CCCC1 ZINC000587459296 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587459403 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587459407 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587459408 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587459409 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587459410 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587459413 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587459415 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@]1(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587459416 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1cccc(Br)c1)CC2=O ZINC000587459441 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1cccc(Br)c1)CC2=O ZINC000587459451 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587459525 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587459527 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587459533 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587459539 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587459544 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587459551 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(Br)cc1)CC2=O ZINC000587459616 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)[C@@H]6C[C@@H]6[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587459617 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(Br)cc1)CC2=O ZINC000587459618 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)[C@@H]6C[C@@H]6[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587459623 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(OCc3ccc(Cl)cc3Cl)ccc3ccccc13)CC2=O ZINC000587459638 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCc3ccc(Cl)cc3Cl)ccc3ccccc13)CC2=O ZINC000587459644 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn1C)(c1ccccc1)CC2=O ZINC000587459776 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1c(C(=O)c3ccc(Cl)cc3Cl)c(C)nn1C)(c1ccccc1)CC2=O ZINC000587459790 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccc(Br)cc21 ZINC000587459809 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc1Cl)CC2=O ZINC000587459822 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccc(Br)cc21 ZINC000587459824 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(Br)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587459825 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(Br)cc1)(c1ccc(Br)cc1)CC2=O ZINC000587459828 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccc(Br)cc21 ZINC000587459830 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)Oc2ccc(Br)cc21 ZINC000587459834 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc1Cl)CC2=O ZINC000587459843 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Br)c(Br)cc21 ZINC000587459886 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Br)c(Br)cc21 ZINC000587459889 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccccc1C)CC2=O ZINC000587459906 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)(c1ccccc1C)CC2=O ZINC000587459909 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccccc1)CC2=O ZINC000587459947 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccccc1)CC2=O ZINC000587459951 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccccc1)CC2=O ZINC000587459955 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CN[C@@H](C)c1ccccc1)CC2=O ZINC000587459961 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c(C)c1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccc(C)cc1)CC2=O ZINC000587460012 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c(C)c1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccc(C)cc1)CC2=O ZINC000587460013 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl ZINC000587460040 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460076 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460078 KK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(Br)cn1)(c1ccc(Br)cn1)CC2=O ZINC000587460134 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2c(Cl)ccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21 ZINC000587460137 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl ZINC000587460172 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](COC(=O)c1cc(Cl)cc(Cl)c1N)(c1ccccc1)CC2=O ZINC000587460201 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)c1cc(Cl)cc(Cl)c1N)(c1ccccc1)CC2=O ZINC000587460218 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccc(Cl)cc1 ZINC000587460265 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc(Cl)cc1 ZINC000587460270 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccc(Cl)cc1 ZINC000587460275 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc(Cl)cc1 ZINC000587460279 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc[nH]1)([C@@H](C)[C@H]1O[C@@]3(CC[C@@H](C)[C@@H](Cc4nc5c(C(=O)O)c(NC)c(Br)cc5o4)O3)[C@H](C)C[C@H]1C)CC2=O ZINC000587460307 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc[nH]1)([C@@H](C)[C@H]1O[C@@]3(CC[C@@H](C)[C@@H](Cc4nc5c(C(=O)O)c(NC)c(Br)cc5o4)O3)[C@H](C)C[C@H]1C)CC2=O ZINC000587460313 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl)CC2=O ZINC000587460384 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(C(=NNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl)CC2=O ZINC000587460385 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](COc1ccc(C=O)cc1OC)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460422 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1ccc(C=O)cc1OC)(c1ccc(Cl)c(Cl)c1)CC2=O ZINC000587460431 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)CC2=O ZINC000587460478 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)CC2=O ZINC000587460483 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CC2=O ZINC000587460484 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)CC2=O ZINC000587460485 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n3ccccc13)CC2=O ZINC000587460498 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(C)c(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n3ccccc13)CC2=O ZINC000587460501 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OCc3ccccc3Cl)cc1Cl)CC2=O ZINC000587460519 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OCc3ccccc3Cl)cc1Cl)CC2=O ZINC000587460521 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c1)CC2=O ZINC000587460536 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c1)CC2=O ZINC000587460537 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1)CC2=O ZINC000587460545 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1)CC2=O ZINC000587460546 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460561 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460562 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460569 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587460570 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)NC(=O)[C@@H]1[C@H](C=C(Cl)Cl)C1(C)C)CC2=O ZINC000587460579 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)NC(=O)[C@H]1[C@@H](C=C(Cl)Cl)C1(C)C)CC2=O ZINC000587460586 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)NC(=O)[C@H]1[C@H](C=C(Cl)Cl)C1(C)C)CC2=O ZINC000587460588 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)NC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C)CC2=O ZINC000587460590 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)CC2=O ZINC000587460629 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)CC2=O ZINC000587460632 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(Br)cc13)CC2=O ZINC000587460647 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(Br)cc13)CC2=O ZINC000587460649 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)C1)CC2=O ZINC000587460778 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(OC)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)C1)CC2=O ZINC000587460785 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587460877 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587460878 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(Cl)cccc2N(C)C(=O)[C@H]1C(=O)N(CC)c1ccccc1 ZINC000587460880 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(Cl)cccc2N(C)C(=O)[C@@H]1C(=O)N(CC)c1ccccc1 ZINC000587460885 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(Cl)cccc2N(C)C(=O)[C@@H]1C(=O)N(CC)c1ccccc1 ZINC000587460886 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(Cl)cccc2N(C)C(=O)[C@H]1C(=O)N(CC)c1ccccc1 ZINC000587460889 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)CC2=O ZINC000587460932 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)CC2=O ZINC000587460933 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Cc2ccccc2)=C([C@H](NC(=O)OC(C)(C)C)C(C)C)Oc2cc(Cl)ccc21 ZINC000587460944 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Cc2ccccc2)=C([C@H](NC(=O)OC(C)(C)C)C(C)C)Oc2cc(Cl)ccc21 ZINC000587460953 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 ZINC000587460997 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 ZINC000587461000 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 ZINC000587461001 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 ZINC000587461004 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Cl)cc3Cl)nc1-c1ccccc1)CC2=O ZINC000587461051 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Cl)cc3Cl)nc1-c1ccccc1)CC2=O ZINC000587461052 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]1)CC2=O ZINC000587461152 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]1)CC2=O ZINC000587461153 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3c(Cl)cccc3Cl)c(OC)c1)CC2=O ZINC000587461184 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3c(Cl)cccc3Cl)c(OC)c1)CC2=O ZINC000587461185 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)CC2=O ZINC000587461227 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)CC2=O ZINC000587461234 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC2=O ZINC000587461446 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CC2=O ZINC000587461455 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 ZINC000587461560 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 ZINC000587461565 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(OC)c(OC)c3)c1C)CC2=O ZINC000587461601 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC)cc1)CC2=O ZINC000587461603 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(OC)c(OC)c3)c1C)CC2=O ZINC000587461610 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC)cc1)CC2=O ZINC000587461611 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c3ccccn13)CC2=O ZINC000587461672 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1c(C)c(C=O)c3ccccn13)CC2=O ZINC000587461680 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1c(Br)c3ccccc3n1C(=O)OC(C)(C)C)CC2=O ZINC000587461743 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(Br)c3ccccc3n1C(=O)OC(C)(C)C)CC2=O ZINC000587461744 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Br)c13)CC2=O ZINC000587461779 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(Br)c13)CC2=O ZINC000587461780 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(Br)cc21 ZINC000587461793 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(Br)cc21 ZINC000587461799 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc13)CC2=O ZINC000587461808 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc13)CC2=O ZINC000587461812 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587461832 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587461833 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1C(F)(F)F)([C@](C#N)(C(=O)OCCOC)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587461925 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1C(F)(F)F)([C@@](C#N)(C(=O)OCCOC)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587461930 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1C(F)(F)F)([C@@](C#N)(C(=O)OCCOC)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587461931 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1C(F)(F)F)([C@](C#N)(C(=O)OCCOC)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587461932 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587461941 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587461949 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587461951 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)c1ccc(C(C)C)cc1)(c1ccc(Cl)cc1)CC2=O ZINC000587461953 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587461974 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc1Cl)CC2=O ZINC000587461976 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587461984 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587461985 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@]1(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C1)CC2=O ZINC000587461986 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc1Cl)CC2=O ZINC000587461998 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 ZINC000587462001 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 ZINC000587462006 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c1)CC2=O ZINC000587462056 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(Cl)cc3OC)c(OC)c1)CC2=O ZINC000587462085 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)C[C@H](CCl)[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587462136 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)C[C@H](CCl)[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587462155 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)CC2=O ZINC000587462258 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(Cl)cccc3Cl)c(OCC)c1)CC2=O ZINC000587462259 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c1C)CC2=O ZINC000587462306 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c1C)CC2=O ZINC000587462307 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1nn(Cc3c(Cl)cccc3Cl)cc1-c1ccccc1)CC2=O ZINC000587462334 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1nn(Cc3c(Cl)cccc3Cl)cc1-c1ccccc1)CC2=O ZINC000587462335 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc13)CC2=O ZINC000587462454 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc13)CC2=O ZINC000587462467 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587462531 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587462538 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587462557 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587462565 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587462569 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587462571 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c1=O)CC2=O ZINC000587462603 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c1=O)CC2=O ZINC000587462609 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(Cl)cc2)=C(C)Oc2cc(OCC(=O)O)ccc21 ZINC000587462623 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccccc1)CC2=O ZINC000587462650 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OCC(=O)c1ccccc1)CC2=O ZINC000587462651 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(Cl)cc2)=C(C)Oc2cc(OCC(=O)O)ccc21 ZINC000587462661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O ZINC000587462716 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O ZINC000587462717 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(CC1(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]1(Cl)[C@@]46Cl)[C@]35Cl)CC2=O ZINC000587462724 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(C[C@]1(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C1(Cl)[C@@]6(Cl)[C@]53Cl)CC2=O ZINC000587462725 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(C[C@]1(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]1(Cl)[C@@]6(Cl)[C@]53Cl)CC2=O ZINC000587462726 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCC(=O)OCC)(C[C@]1(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]1(Cl)[C@@]6(Cl)[C@@]53Cl)CC2=O ZINC000587462727 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)C)cc1)CC2=O ZINC000587462918 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)C)cc1)CC2=O ZINC000587462923 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](OC)O[C@H](COCc2ccc(Cl)cc2Cl)[C@H]1OCc1ccc(Cl)cc1Cl ZINC000587462940 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](OC)O[C@H](COCc2ccc(Cl)cc2Cl)[C@H]1OCc1ccc(Cl)cc1Cl ZINC000587462946 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)CC2=O ZINC000587463019 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C1CCN(C(=O)C(F)(F)F)CC1)CC2=O ZINC000587463020 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)CC2=O ZINC000587463080 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)CC2=O ZINC000587463081 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587463082 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC2=O ZINC000587463083 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587463121 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587463122 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587463123 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c1)CC2=O ZINC000587463124 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587463137 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587463138 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(OCC)c(Cl)c1)CC2=O ZINC000587463173 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(OCC)c(Cl)c1)CC2=O ZINC000587463174 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)CC(=O)Nc1ccc(Cl)cc1)(c1ccccc1)CC2=O ZINC000587463292 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)CC(=O)Nc1ccc(Cl)cc1)(c1ccccc1)CC2=O ZINC000587463293 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587463356 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587463357 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)CC2=O ZINC000587463403 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)CC2=O ZINC000587463406 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(F)cc2)=C(C(F)(F)F)Oc2cc(O)ccc21 ZINC000587463416 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(F)cc2)=C(C(F)(F)F)Oc2cc(O)ccc21 ZINC000587463418 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)NCc3cc(Cl)ccc3C)c1CC)CC2=O ZINC000587463462 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)NCc3cc(Cl)ccc3C)c1CC)CC2=O ZINC000587463463 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Sc3cccc(C(F)(F)F)c3)nc3sccn13)CC2=O ZINC000587463486 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Sc3cccc(C(F)(F)F)c3)nc3sccn13)CC2=O ZINC000587463489 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)CC2=O ZINC000587463519 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)CC2=O ZINC000587463523 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(/C=C\C(=O)OCC)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463527 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(/C=C/C(=O)OCC)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463528 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(/C=C/C(=O)OCC)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463530 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(/C=C\C(=O)OCC)n(C)c1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587463532 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(Cl)cc21 ZINC000587463603 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(Cl)cc21 ZINC000587463608 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(OC)cc(OC)c(Cl)c2O[C@@]12C(OC)=CC(=O)C[C@H]2C ZINC000587463612 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(OC)cc(OC)c(Cl)c2O[C@@]12C(OC)=CC(=O)C[C@H]2C ZINC000587463617 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1C(F)(F)F)CC2=O ZINC000587463652 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1C(F)(F)F)CC2=O ZINC000587463653 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)C)cc1)CC2=O ZINC000587463672 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1)(c1ccc(OC(C)(C)C(=O)OC(C)(C)C(=O)OC(C)C)cc1)CC2=O ZINC000587463678 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3nc(C(F)(F)F)cc(C)c3C#N)c1)CC2=O ZINC000587463700 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2[C@@H](C(=O)[C@H]3O[C@H]31)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587463711 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2O[C@@H]2C(=O)[C@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587463713 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2O[C@@H]2C(=O)[C@@H]2[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587463716 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2[C@H](C(=O)[C@H]3O[C@H]31)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl ZINC000587463719 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587463750 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587463751 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587463752 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587463753 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587463756 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587463758 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587463760 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)C(=O)[C@@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587463761 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3nc(C(F)(F)F)cc(C)c3C#N)c1)CC2=O ZINC000587463795 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cc4c(cc3Cl)OCO4)c(OCC)c1)CC2=O ZINC000587463802 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cc4c(cc3Cl)OCO4)c(OCC)c1)CC2=O ZINC000587463804 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c1)CC2=O ZINC000587463827 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccccc3C(F)(F)F)c(OC)c1)CC2=O ZINC000587463830 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587463864 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587463868 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1nc(C(=O)OCC)cc1C(=O)OCC)(c1ccc(Cl)cc1)CC2=O ZINC000587463873 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1nc(C(=O)OCC)cc1C(=O)OCC)(c1ccc(Cl)cc1)CC2=O ZINC000587463876 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc13)CC2=O ZINC000587463904 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc13)CC2=O ZINC000587463910 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1)CC2=O ZINC000587463959 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccc(Br)cc1)CC2=O ZINC000587463961 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587463969 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587463970 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587464005 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587464006 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1C(=O)OC)CC2=O ZINC000587464009 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1ccccc1C(=O)OC)CC2=O ZINC000587464010 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OCC)c1)CC2=O ZINC000587464044 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OCC)c1)CC2=O ZINC000587464045 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc13)CC2=O ZINC000587464047 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc13)CC2=O ZINC000587464048 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000587464053 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 ZINC000587464054 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1C(F)(F)F)CC2=O ZINC000587464067 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccccc1C(F)(F)F)CC2=O ZINC000587464068 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc13)CC2=O ZINC000587464127 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc13)CC2=O ZINC000587464128 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cccc(C(F)(F)F)c3)c(OCC)c1)CC2=O ZINC000587464155 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cccc(C(F)(F)F)c3)c(OCC)c1)CC2=O ZINC000587464156 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464170 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464171 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C(OC)=C1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587464207 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C(OC)=C1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587464208 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464231 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Sc1cccc(C(F)(F)F)c1)CC2=O ZINC000587464232 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587464260 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587464261 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587464262 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587464263 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c1)CC2=O ZINC000587464264 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c1)CC2=O ZINC000587464265 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1OC ZINC000587464272 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1OC ZINC000587464273 KK Annotated Mild CCCc1c(O)ccc2c1OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464312 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464350 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c(C)nn(-c3cccc(C(F)(F)F)c3)c1C)CC2=O ZINC000587464351 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)CC2=O ZINC000587464384 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)CC2=O ZINC000587464385 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)CC2=O ZINC000587464386 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1sc(-c3cccc(C(F)(F)F)c3)nc1C)CC2=O ZINC000587464387 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464404 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O ZINC000587464405 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1nc(N(C(C)=O)c3cccc(C(F)(F)F)c3)sc1Br)CC2=O ZINC000587464414 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nc(N(C(C)=O)c3cccc(C(F)(F)F)c3)sc1Br)CC2=O ZINC000587464415 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1Cl)CC2=O ZINC000587464471 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Oc1ccc(Cl)cc1Cl)CC2=O ZINC000587464472 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587464580 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587464581 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464626 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O ZINC000587464627 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1SCc1ccccc1Cl)CC2=O ZINC000587464634 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1SCc1ccccc1Cl)CC2=O ZINC000587464635 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000587464650 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000587464651 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000587464652 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000587464653 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COc1cccc(C(F)(F)F)c1)(CP(=O)(OC)OC)CC2=O ZINC000587464682 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COc1cccc(C(F)(F)F)c1)(CP(=O)(OC)OC)CC2=O ZINC000587464683 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3nc(C(F)(F)F)cc(-c4ccccc4)c3C#N)c1)CC2=O ZINC000587464711 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3nc(C(F)(F)F)cc(-c4ccccc4)c3C#N)c1)CC2=O ZINC000587464712 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc13)CC2=O ZINC000587464734 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc13)CC2=O ZINC000587464735 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1cn(Cc3cccc(C(F)(F)F)c3)c3ccccc13)CC2=O ZINC000587464791 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COc3c(F)c(F)c(F)c(F)c3F)c1)CC2=O ZINC000587464802 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COc3c(F)c(F)c(F)c(F)c3F)c1)CC2=O ZINC000587464803 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3n1C(F)F)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587464848 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3n1C(F)F)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587464849 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C(F)F)c(Cl)c3C(F)F)c1)CC2=O ZINC000587464858 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C(F)F)c(Cl)c3C(F)F)c1)CC2=O ZINC000587464859 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)ccc(Br)c1Cl)CC2=O ZINC000587464885 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)ccc(Br)c1Cl)CC2=O ZINC000587464886 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]31C)CC2=O ZINC000587464889 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]31C)CC2=O ZINC000587464890 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1cn(Cc3cccc(C(F)(F)F)c3)c3ccccc13)CC2=O ZINC000587464892 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)([C@H](C)NC(=O)OC)CC2=O ZINC000587464937 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)([C@@H](C)NC(=O)OC)CC2=O ZINC000587464938 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)([C@@H](C)NC(=O)OC)CC2=O ZINC000587464939 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)([C@H](C)NC(=O)OC)CC2=O ZINC000587464940 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(F)(F)F)cc1S(C)(=O)=O)(c1cnoc1C1CC1)CC2=O ZINC000587464949 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(F)(F)F)cc1S(C)(=O)=O)(c1cnoc1C1CC1)CC2=O ZINC000587464950 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(F)(F)F)cc1Br)(c1c(N)sc3c1CCC3)CC2=O ZINC000587464957 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(F)(F)F)cc1Br)(c1c(N)sc3c1CCC3)CC2=O ZINC000587464958 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587464959 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c1)CC2=O ZINC000587464960 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)CC2=O ZINC000587464982 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)CC2=O ZINC000587464983 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c1)CC2=O ZINC000587465093 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c1)CC2=O ZINC000587465096 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587465143 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587465146 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587465148 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587465150 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1)CC2=O ZINC000587465153 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1)CC2=O ZINC000587465157 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@@H](C(=O)Nc1ccccc1)[C@@H](C(=O)c1ccc(F)cc1)c1ccccc1)CC2=O ZINC000587465160 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C)C)([C@@H](C(=O)Nc1ccccc1)[C@H](C(=O)c1ccc(F)cc1)c1ccccc1)CC2=O ZINC000587465162 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O ZINC000587465178 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O ZINC000587465179 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C(=O)c1cc(Br)ccc1F)(c1cc(Br)ccc1F)CC2=O ZINC000587465204 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1cc(Br)ccc1F)(c1cc(Br)ccc1F)CC2=O ZINC000587465205 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C1CCN(CCn3c(O)nc4ccccc4c3=O)CC1)CC2=O ZINC000587465256 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C1CCN(CCn3c(O)nc4ccccc4c3=O)CC1)CC2=O ZINC000587465260 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)c3ccccc13)(c1cn(CCCCCF)c3ccccc13)CC2=O ZINC000587465294 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)c3ccccc13)(c1cn(CCCCCF)c3ccccc13)CC2=O ZINC000587465295 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3nc(C(F)F)cc(C)c3C#N)c1)CC2=O ZINC000587465300 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3nc(C(F)F)cc(C)c3C#N)c1)CC2=O ZINC000587465301 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](Cc1c(F)cccc1Cl)(c1ccccc1Br)CC2=O ZINC000587465334 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1c(F)cccc1Cl)(c1ccccc1Br)CC2=O ZINC000587465335 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1-c1ccccc1F ZINC000587465434 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1-c1ccccc1F ZINC000587465438 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cn(CCCCCF)c3ccccc13)(C1C(C)(C)C1(C)C)CC2=O ZINC000587465596 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cn(CCCCCF)c3ccccc13)(C1C(C)(C)C1(C)C)CC2=O ZINC000587465597 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(SC(F)F)cc3)c(OC)c1)CC2=O ZINC000587465664 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(SC(F)F)cc3)c(OC)c1)CC2=O ZINC000587465671 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(NC(=O)c3c(F)cc(F)cc3F)n1)(C1CCN(C)CC1)CC2=O ZINC000587465725 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(NC(=O)c3c(F)cc(F)cc3F)n1)(C1CCN(C)CC1)CC2=O ZINC000587465730 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Br)ccc(Cl)c1F)CC2=O ZINC000587465820 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Br)ccc(Cl)c1F)CC2=O ZINC000587465822 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc1)CC2=O ZINC000587465895 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc1)CC2=O ZINC000587465896 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC(F)F)cc1)(c1cncc(Br)c1C)CC2=O ZINC000587466008 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC(F)F)cc1)(c1cncc(Br)c1C)CC2=O ZINC000587466013 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)C(=O)C(C)C)CC2=O ZINC000587466053 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)C(=O)C(C)C)CC2=O ZINC000587466057 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](c1ccccc1)[C@H](C(=O)Nc1ccccc1)C(=O)C(C)C)CC2=O ZINC000587466061 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](c1ccccc1)[C@@H](C(=O)Nc1ccccc1)C(=O)C(C)C)CC2=O ZINC000587466064 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc1)CC2=O ZINC000587466175 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@H](c1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc1)CC2=O ZINC000587466187 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](c1ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c1)CC2=O ZINC000587466341 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c1)CC2=O ZINC000587466348 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)CC2=O ZINC000587466377 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)CC2=O ZINC000587466379 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)CC2=O ZINC000587466380 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)CC2=O ZINC000587466381 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1c(F)ccc(N[S@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)CC2=O ZINC000587466400 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(F)ccc(N[S@@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)CC2=O ZINC000587466403 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(F)ccc(N[S@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)CC2=O ZINC000587466407 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3nc(C)cc(C(F)F)n3)c1)CC2=O ZINC000587466410 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(F)ccc(N[S@@](=O)C(C)C)c1F)(c1c[nH]c3ncc(-c4cccnc4)cc13)CC2=O ZINC000587466411 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3nc(C)cc(C(F)F)n3)c1)CC2=O ZINC000587466420 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ccccc1C(=O)O)(c1ccc(OC(F)F)cc1)CC2=O ZINC000587466434 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ccccc1C(=O)O)(c1ccc(OC(F)F)cc1)CC2=O ZINC000587466440 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587466464 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)CC2=O ZINC000587466466 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1F ZINC000587466518 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1F ZINC000587466524 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)CC2=O ZINC000587466539 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)CC2=O ZINC000587466543 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C)CC2=O ZINC000587466599 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)nc(Cl)c1NC(=O)C(C)(C)C)CC2=O ZINC000587466600 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1OCc1ccc(F)cc1Cl)CC2=O ZINC000587466689 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1OCc1ccc(F)cc1Cl)CC2=O ZINC000587466692 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CS(=O)(=O)N(Cc2ccccc2F)c2cc(Cl)ccc21 ZINC000587466699 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CS(=O)(=O)N(Cc2ccccc2F)c2cc(Cl)ccc21 ZINC000587466700 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(OCCN(CC)CC)ccc2-c2ccc(OCCN(CC)CC)cc21 ZINC000587466814 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(F)ccc(NS(=O)(=O)CCC)c1F)(c1c[nH]c3ncc(Br)cc13)CC2=O ZINC000587466818 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(F)ccc(NS(=O)(=O)CCC)c1F)(c1c[nH]c3ncc(Br)cc13)CC2=O ZINC000587466831 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccc(OC)c(F)c1)CC2=O ZINC000587466997 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccc(OC)c(F)c1)CC2=O ZINC000587466998 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ncc(I)c-3c(Cl)c1F)CC2=O ZINC000587467148 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ncc(I)c-3c(Cl)c1F)CC2=O ZINC000587467152 KK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(N(CC)CC)cc1)(c1ccc(N(CC)CC)cc1)CC2=O ZINC000587467160 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587467185 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587467189 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1-c1cccc(F)c1 ZINC000587467260 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1-c1cccc(F)c1 ZINC000587467261 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)CC2=O ZINC000587467276 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)CC2=O ZINC000587467278 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@H](c1ccccc1F)N1CCc3sc(OC(C)=O)cc3C1)CC2=O ZINC000587467378 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CC1)([C@@H](c1ccccc1F)N1CCc3sc(OC(C)=O)cc3C1)CC2=O ZINC000587467379 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C1CC1)([C@H](c1ccccc1F)N1CCc3sc(OC(C)=O)cc3C1)CC2=O ZINC000587467380 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C1CC1)([C@@H](c1ccccc1F)N1CCc3sc(OC(C)=O)cc3C1)CC2=O ZINC000587467381 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3cc(OC)ccc3Br)c(F)c1)CC2=O ZINC000587467412 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3cc(OC)ccc3Br)c(F)c1)CC2=O ZINC000587467413 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc13)CC2=O ZINC000587467432 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc13)CC2=O ZINC000587467433 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587467512 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587467513 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@H]13 ZINC000587467519 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]31 ZINC000587467524 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@H]13 ZINC000587467527 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C#N)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]23O[C@@H]31 ZINC000587467528 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H]([C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C)OC(C)(C)C)CC2=O ZINC000587467704 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C)OC(C)(C)C)CC2=O ZINC000587467709 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCN1CC=C(n3c(O)nc4ccccc43)CC1)(c1ccc(F)cc1)CC2=O ZINC000587467771 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCN1CC=C(n3c(O)nc4ccccc43)CC1)(c1ccc(F)cc1)CC2=O ZINC000587467772 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](Br)[C@@H](Br)c1ccc(F)cc1)CC2=O ZINC000587467859 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](Br)[C@H](Br)c1ccc(F)cc1)CC2=O ZINC000587467872 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](Br)[C@H](Br)c1ccc(F)cc1)CC2=O ZINC000587467876 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](Br)[C@@H](Br)c1ccc(F)cc1)CC2=O ZINC000587467878 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1)CC2=O ZINC000587467916 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1)CC2=O ZINC000587467918 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C1)CC2=O ZINC000587467949 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C1)CC2=O ZINC000587467950 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OCCCN)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCN)cc1C4=O ZINC000587468030 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C(F)F)c(Br)c3C(F)F)c1)CC2=O ZINC000587468036 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OCCCN)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCN)cc1C4=O ZINC000587468037 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C(F)F)c(Br)c3C(F)F)c1)CC2=O ZINC000587468038 KK Annotated Anodyne CCCCCCCCCCN(C[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587468055 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587468057 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=C2Oc3cc(N(CC)CC)ccc3N=C2c2ccccc21 ZINC000587468118 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=C2Oc3cc(N(CC)CC)ccc3N=C2c2ccccc21 ZINC000587468120 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c21 ZINC000587468298 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c21 ZINC000587468299 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587468304 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587468307 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=NNc1cccnc1)C(=O)Nc1cccnc1)(c1ccccc1)CC2=O ZINC000587468327 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C(=NNc1cccnc1)C(=O)Nc1cccnc1)(c1ccccc1)CC2=O ZINC000587468333 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)ccc(Br)c1F)CC2=O ZINC000587468348 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)ccc(Br)c1F)CC2=O ZINC000587468353 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@]2(C)[C@@H](CC[C@]2(O)C(=O)COC(C)=O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@]21F ZINC000587468454 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@]2(C)[C@@H](CC[C@]2(O)C(=O)COC(C)=O)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@]21F ZINC000587468458 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o1)CC2=O ZINC000587468470 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o1)CC2=O ZINC000587468479 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(Cc3ccccc3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587468511 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(Cc3ccccc3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587468518 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(C)n(CCN3CCOCC3)c3cc(I)ccc13)CC2=O ZINC000587468544 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(C)n(CCN3CCOCC3)c3cc(I)ccc13)CC2=O ZINC000587468548 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(OCc3cccc(F)c3)c(OC)c1)CC2=O ZINC000587468579 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(CSc3nc(C(F)F)cc(-c4ccccc4)c3C#N)c1)CC2=O ZINC000587468624 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(OCc3cccc(F)c3)c(OC)c1)CC2=O ZINC000587468626 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(F)ccc(NS(=O)(=O)CCC)c1F)(c1c[nH]c3ncc(-c4ccc(Cl)cc4)cc13)CC2=O ZINC000587468631 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(CSc3nc(C(F)F)cc(-c4ccccc4)c3C#N)c1)CC2=O ZINC000587468635 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2nncn2-c2ccccc2)=COc2cc(O)c(CC)cc21 ZINC000587468659 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(F)ccc(NS(=O)(=O)CCC)c1F)(c1c[nH]c3ncc(-c4ccc(Cl)cc4)cc13)CC2=O ZINC000587468666 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2nncn2-c2ccccc2)=COc2cc(O)c(CC)cc21 ZINC000587468678 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](C[C@H]1C[C@@H](C)C(=O)/C=C/[C@]3(C)O[C@H]3[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)CC2=O ZINC000587468738 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](C[C@H]1C[C@@H](C)C(=O)/C=C/[C@]3(C)O[C@H]3[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)CC2=O ZINC000587468745 KK Annotated Mild CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587468890 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1)CC2=O ZINC000587468892 KK Annotated Mild CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587468893 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C(=NNc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1)CC2=O ZINC000587468901 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cc2[N+](=O)[O-])cc1 ZINC000587468918 KK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587468927 KK Annotated Bother CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)cc2[N+](=O)[O-])cc1 ZINC000587468930 KK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587468933 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c1)CC2=O ZINC000587468990 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c1)CC2=O ZINC000587468997 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1c(F)ccc(NS(=O)(=O)CCC)c1F)(c1c[nH]c3ncc(Cl)cc13)CC2=O ZINC000587469019 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1c(F)ccc(NS(=O)(=O)CCC)c1F)(c1c[nH]c3ncc(Cl)cc13)CC2=O ZINC000587469020 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc21 ZINC000587469034 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(=O)c2ccc(N(c3ccccc3)c3ccccc3)cc21 ZINC000587469035 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)CN[C@H](C)c1ccccc1)CC2=O ZINC000587469074 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1)CC2=O ZINC000587469075 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1NC(=O)CN[C@H](C)c1ccccc1)CC2=O ZINC000587469076 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1NC(=O)CN[C@@H](C)c1ccccc1)CC2=O ZINC000587469077 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(NC(=O)c1ccccc1)NC(=O)c1ccccc1)CC2=O ZINC000587469084 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(NC(=O)c1ccccc1)NC(=O)c1ccccc1)CC2=O ZINC000587469085 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c1)CC2=O ZINC000587469098 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c1)CC2=O ZINC000587469099 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(C)cc2Oc2cccc(NC3CCCCCCC3)c21 ZINC000587469110 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(C)cc2Oc2cccc(NC3CCCCCCC3)c21 ZINC000587469111 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587469120 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587469226 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cc(C#N)c(=O)n(C3CCCCC3)c1)(c1cc(F)ccc1O)CC2=O ZINC000587469229 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)(c1ccc(F)cc1)CC2=O ZINC000587469240 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)(c1ccc(F)cc1)CC2=O ZINC000587469241 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc3ccccc13)(c1c(C)n(CCC)c3ccccc13)CC2=O ZINC000587469304 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc3ccccc13)(c1c(C)n(CCC)c3ccccc13)CC2=O ZINC000587469308 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2c([N+](=O)[O-])cccc21 ZINC000587469443 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2c([N+](=O)[O-])cccc21 ZINC000587469447 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587469485 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587469502 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587469503 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(F)cnc(NC(=O)C(C)(C)C)c1I)CC2=O ZINC000587469510 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(F)cnc(NC(=O)C(C)(C)C)c1I)CC2=O ZINC000587469514 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Nc3ccc(C)cc3)ccc(Nc3ccc(C)cc3)c21 ZINC000587469531 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Nc3ccc(C)cc3)ccc(Nc3ccc(C)cc3)c21 ZINC000587469534 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000587469547 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 ZINC000587469550 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(CI)[C@H]4CC[C@@]31C)CC2=O ZINC000587469555 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(CI)[C@H]4CC[C@@]31C)CC2=O ZINC000587469558 KK Annotated Reactive CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(I)ccc2-c2ccc(I)cc21 ZINC000587469644 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3I)s1)(C(C)C)CC2=O ZINC000587469652 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3I)s1)(C(C)C)CC2=O ZINC000587469657 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587469677 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587469683 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587469685 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(NC2CCCC2)c(O)c1 ZINC000587469688 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(C(=O)Nc3cccc(C(=O)O)c3)cccc21 ZINC000587469703 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(C(=O)Nc3cccc(C(=O)O)c3)cccc21 ZINC000587469707 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(I)=COc2ccc(Br)cc21 ZINC000587469721 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(I)=COc2ccc(Br)cc21 ZINC000587469734 KK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587469749 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587469751 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000587469807 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000587469808 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000587469809 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc([N+](=O)[O-])cc1 ZINC000587469810 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](CC#N)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)CC2=O ZINC000587469839 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CC#N)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)CC2=O ZINC000587469840 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H]([C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587469966 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587469969 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587470030 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587470031 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc1)CC2=O ZINC000587470039 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc1)CC2=O ZINC000587470040 KK Annotated Anodyne CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470041 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470042 KK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587470062 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587470063 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(F)c(OCOCCOC)cc2Oc2cc(OCOCCOC)c(F)cc21 ZINC000587470095 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(I)cc2)=COc2cc(O)ccc21 ZINC000587470105 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(I)cc2)=COc2cc(O)ccc21 ZINC000587470109 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(C(C)C)cc3)c(C(=O)OC)c(C)n1CCc1ccc(OC)c(OC)c1)CC2=O ZINC000587470127 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(C(C)C)cc3)c(C(=O)OC)c(C)n1CCc1ccc(OC)c(OC)c1)CC2=O ZINC000587470129 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470167 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470168 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(I)cnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587470289 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3cc(I)cnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587470290 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O ZINC000587470416 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O ZINC000587470417 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O ZINC000587470418 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O ZINC000587470419 KK Annotated Reactive CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470450 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587470451 KK Annotated Clean CCCc1c(O)ccc2c1OC1(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC1)CC2=O ZINC000587470471 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C#N)cc1)(c1c(-c3ccc(OC)cc3)oc3cc(OC)ccc13)CC2=O ZINC000587470636 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(C#N)cc1)(c1c(-c3ccc(OC)cc3)oc3cc(OC)ccc13)CC2=O ZINC000587470637 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(I)nc(Br)c3nc(C(C)(C)C)oc13)CC2=O ZINC000587470648 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(I)nc(Br)c3nc(C(C)(C)C)oc13)CC2=O ZINC000587470649 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(O)cc1)(c1ccc(F)cc1)CC2=O ZINC000587470702 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(O)cc1)(c1ccc(F)cc1)CC2=O ZINC000587470703 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(I)cc3)nc3c(C)cccn13)CC2=O ZINC000587470724 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(I)cc3)nc3c(C)cccn13)CC2=O ZINC000587470725 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc1C(C)C)CC2=O ZINC000587470762 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(F)cc3)nc(N(C)S(C)(=O)=O)nc1C(C)C)CC2=O ZINC000587470763 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587470801 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587470804 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587470807 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587470809 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c21 ZINC000587470823 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c21 ZINC000587470828 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(OC)C(=O)c3c(COc4ccc([N+](=O)[O-])cc4)c(C)n(C)c31)CC2=O ZINC000587470869 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(OC)C(=O)c3c(COc4ccc([N+](=O)[O-])cc4)c(C)n(C)c31)CC2=O ZINC000587470875 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(Oc3ccc(-n4cccc4C=O)cc3)cc1)CC2=O ZINC000587470970 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(Oc3ccc(-n4cccc4C=O)cc3)cc1)CC2=O ZINC000587470974 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc1)(c1ccccc1)CC2=O ZINC000587470976 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](COC(=O)c1ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc1)(c1ccccc1)CC2=O ZINC000587470980 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc1)CC2=O ZINC000587471031 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc1)CC2=O ZINC000587471035 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)Nc3cc(OC)cc(OC)c3)cc1)CC2=O ZINC000587471055 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)Nc3cc(OC)cc(OC)c3)cc1)CC2=O ZINC000587471062 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3c3ccccc13)(c1ccc(N(C)C)cc1)CC2=O ZINC000587471129 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3c3ccccc13)(c1ccc(N(C)C)cc1)CC2=O ZINC000587471130 KK Annotated Bother CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587471131 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 ZINC000587471132 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471187 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471192 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(I)cc3)c1C)CC2=O ZINC000587471230 KK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(I)cc3)c1C)CC2=O ZINC000587471232 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3nc(C)c(I)c3C)c1)CC2=O ZINC000587471234 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3nc(C)c(I)c3C)c1)CC2=O ZINC000587471235 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1cccc(I)c1)CC2=O ZINC000587471237 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1cccc(I)c1)CC2=O ZINC000587471239 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1I)(c1c(F)cccc1F)CC2=O ZINC000587471267 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1I)(c1c(F)cccc1F)CC2=O ZINC000587471271 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587471314 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587471318 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587471320 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(NC3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587471325 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=CC(=O)c2c1c(COc1ccc([N+](=O)[O-])cc1)c(C)n2C ZINC000587471367 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@H](NC(=O)c1ccco1)Nc1ccccc1OC)CC2=O ZINC000587471380 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@H](NC(=O)c1ccco1)Nc1ccccc1OC)CC2=O ZINC000587471381 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)([C@@H](NC(=O)c1ccco1)Nc1ccccc1OC)CC2=O ZINC000587471382 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)([C@@H](NC(=O)c1ccco1)Nc1ccccc1OC)CC2=O ZINC000587471383 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C)(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C1(C)C ZINC000587471417 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C)(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C1(C)C ZINC000587471418 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=CC(=O)c2c1c(COc1ccc([N+](=O)[O-])cc1)c(C)n2C ZINC000587471435 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587471480 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587471481 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)c(OCC)c1)CC2=O ZINC000587471494 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)c(OCC)c1)CC2=O ZINC000587471495 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(I)cc(C)c1NC(=O)C(F)(F)F)CC2=O ZINC000587471636 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(I)cc(C)c1NC(=O)C(F)(F)F)CC2=O ZINC000587471638 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(I)cc3)nc3ccccn13)CC2=O ZINC000587471648 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(I)cc3)nc3ccccn13)CC2=O ZINC000587471653 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccc(F)cc3)s1)(c1cc(I)ccc1C)CC2=O ZINC000587471655 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccc(F)cc3)s1)(c1cc(I)ccc1C)CC2=O ZINC000587471661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471669 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](COC(C)(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471672 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](Cc1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471677 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471693 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471694 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471695 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471696 KK Annotated Anodyne CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471707 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587471708 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(I)c(OCc3ccc(I)cc3)c(OCC)c1)CC2=O ZINC000587471732 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)c(OCc3ccc(I)cc3)c(OCC)c1)CC2=O ZINC000587471733 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)CC(=O)c3ccc(O)c(CCC)c3O2)c2ccccc21 ZINC000587471735 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)CC(=O)c3ccc(O)c(CCC)c3O2)c2ccccc21 ZINC000587471736 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](Cc1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471835 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CC(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471861 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CC(C)C)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587471862 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000587472014 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc([N+](=O)[O-])cc21 ZINC000587472017 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(COc3ccc(I)cc3)o1)CC2=O ZINC000587472037 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccc(CC(=O)NCC(=O)Oc3ccccc3OC)n1C)CC2=O ZINC000587472040 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccc(CC(=O)NCC(=O)Oc3ccccc3OC)n1C)CC2=O ZINC000587472041 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(COc3ccc(I)cc3)o1)CC2=O ZINC000587472042 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(NC3CCCCC3)c2C(=O)c2cccc(NC3CCCCC3)c21 ZINC000587472160 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(NC3CCCCC3)c2C(=O)c2cccc(NC3CCCCC3)c21 ZINC000587472161 KK Annotated Clean CCCc1c(O)ccc2c1OC1(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)CC1)CC2=O ZINC000587472232 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn1)CC2=O ZINC000587472263 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn1)CC2=O ZINC000587472264 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c1)CC2=O ZINC000587472293 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c1)CC2=O ZINC000587472294 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)c(OCc3ccccc3)c(Cl)n1)CC2=O ZINC000587472483 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)c(OCc3ccccc3)c(Cl)n1)CC2=O ZINC000587472484 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(Cl)ccc1I)(c1c(F)cccc1OC)CC2=O ZINC000587472606 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(Cl)ccc1I)(c1c(F)cccc1OC)CC2=O ZINC000587472607 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472659 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472660 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472662 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(I)cc1)(c1nccn1CC)CC2=O ZINC000587472677 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(I)cc1)(c1nccn1CC)CC2=O ZINC000587472678 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(I)cc3)nc3ccc(Cl)cn13)CC2=O ZINC000587472679 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(I)cc3)nc3ccc(Cl)cn13)CC2=O ZINC000587472680 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472704 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c1)CC2=O ZINC000587472705 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccc(N)cc3)cc1)(c1ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc1)CC2=O ZINC000587472722 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccc(N)cc3)cc1)(c1ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc1)CC2=O ZINC000587472723 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1I)CC2=O ZINC000587472791 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1I)CC2=O ZINC000587472792 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(I)c(C)c3)c1C)CC2=O ZINC000587472845 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(I)c(C)c3)c1C)CC2=O ZINC000587472848 KK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(I)cc3)nc3ncccn13)CC2=O ZINC000587472853 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(I)cc3)nc3ncccn13)CC2=O ZINC000587472856 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(OCc3ccccc3)cc1)(c1ccc(F)cc1)CC2=O ZINC000587472863 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC[C@H]1C(=O)N(c3ccc(F)cc3)[C@@H]1c1ccc(OCc3ccccc3)cc1)(c1ccc(F)cc1)CC2=O ZINC000587472866 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cc(I)c1OC)CC2=O ZINC000587472885 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cc(I)c1OC)CC2=O ZINC000587472888 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472907 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472908 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472909 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1cc([N+](=O)[O-])ccc1I)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587472911 KK Annotated Bother CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1-c1ccc(F)cc1 ZINC000587472914 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)cc1-c1ccc(F)cc1 ZINC000587472917 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(F)cc21 ZINC000587472919 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(F)cc21 ZINC000587472928 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)CC2=O ZINC000587473122 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)CC2=O ZINC000587473127 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c1)CC2=O ZINC000587473134 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c1)CC2=O ZINC000587473141 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(c1cc(I)ccc1NC(C)=O)CC2=O ZINC000587473145 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(c1cc(I)ccc1NC(C)=O)CC2=O ZINC000587473147 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(I)cc1)CC2=O ZINC000587473156 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(I)cc1)CC2=O ZINC000587473158 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1cc(I)c(Br)cc1F)CC2=O ZINC000587473206 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(I)c(Br)cc1F)CC2=O ZINC000587473208 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(I)c(OCc3ccccc3C#N)c(OC)c1)CC2=O ZINC000587473259 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(I)c(OCc3ccccc3C#N)c(OC)c1)CC2=O ZINC000587473260 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587473377 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c1)CC2=O ZINC000587473378 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587473401 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1)CC2=O ZINC000587473402 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])CC2=O ZINC000587473424 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc1[N+](=O)[O-])CC2=O ZINC000587473425 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(C(=O)OC)cc3OC)c([N+](=O)[O-])c1)CC2=O ZINC000587473444 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(C(=O)OC)cc3OC)c([N+](=O)[O-])c1)CC2=O ZINC000587473445 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](COC(=O)c1cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c1)(c1ccc(C)cc1)CC2=O ZINC000587473490 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](COC(=O)c1cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c1)(c1ccc(C)cc1)CC2=O ZINC000587473491 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587473637 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587473638 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587473639 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 ZINC000587473640 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587473726 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587473727 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587473728 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587473729 KK Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587473922 KK Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587473927 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587473929 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587473932 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(OC)c2)Oc2c1ccc1ccccc21 ZINC000587473954 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(OC)c2)Oc2c1ccc1ccccc21 ZINC000587473957 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(OC)c2)Oc2c1ccc1ccccc21 ZINC000587473959 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(OC)c2)Oc2c1ccc1ccccc21 ZINC000587473962 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587473973 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587473977 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccncc1)(c1cccc(CN3C(=O)c4ccccc4C3=O)c1)CC2=O ZINC000587473984 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccncc1)(c1cccc(CN3C(=O)c4ccccc4C3=O)c1)CC2=O ZINC000587473986 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587474021 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587474025 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587474026 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(N2CCCC2)c(OC)c1 ZINC000587474029 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)CC2=O ZINC000587474112 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)CC2=O ZINC000587474113 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCN(c3ccccc3)CC1)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587474148 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N1CCN(c3ccccc3)CC1)(c1c(C)[nH]c3ccccc13)CC2=O ZINC000587474159 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(=O)N(Cc2ccc(OC)cc2)CC12CCN(OC(=O)C(C)(C)C)CC2 ZINC000587474302 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(Cc2ccc(OC)cc2)CC12CCN(OC(=O)C(C)(C)C)CC2 ZINC000587474304 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cn(C[C@@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587474324 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cn(C[C@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587474329 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cn(C[C@@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587474330 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cn(C[C@H]3CCCCN3C)c3ccccc13)(C13CC4CC(CC(C4)C1)C3)CC2=O ZINC000587474332 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587474420 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587474421 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc3cc(OC)ccc3c1)CC2=O ZINC000587474432 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc3cc(OC)ccc3c1)CC2=O ZINC000587474433 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)N1CCN(c3ccccc3)CC1)(c1cn(C)c3ccccc13)CC2=O ZINC000587474545 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)N1CCN(c3ccccc3)CC1)(c1cn(C)c3ccccc13)CC2=O ZINC000587474546 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(NC(C)=O)cc21 ZINC000587474569 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(NC(C)=O)cc21 ZINC000587474583 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc31)CC2=O ZINC000587474759 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCCc3c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc31)CC2=O ZINC000587474762 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587474876 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587474879 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587474881 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(C)c(C)cc2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587474882 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N3CCOCC3)cc1)([C@](CC)(Cc1ccccc1)N(C)C)CC2=O ZINC000587475206 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N3CCOCC3)cc1)([C@@](CC)(Cc1ccccc1)N(C)C)CC2=O ZINC000587475210 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(N3CCOCC3)cc1)([C@@](CC)(Cc1ccccc1)N(C)C)CC2=O ZINC000587475211 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(N3CCOCC3)cc1)([C@](CC)(Cc1ccccc1)N(C)C)CC2=O ZINC000587475213 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCCCO3)CC2=O ZINC000587475278 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccccc3)nc1-c1ccc3c(c1)OCCCO3)CC2=O ZINC000587475279 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c13)CC2=O ZINC000587475354 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c13)CC2=O ZINC000587475355 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587475444 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587475447 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587475450 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2ccc3ccccc3c2O[C@H]1c1ccc(N2CCCC2)c(O)c1 ZINC000587475453 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(OC)ccc21 ZINC000587475465 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)c2cc(OC)ccc21 ZINC000587475467 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587475473 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587475483 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CCC5=C(OC(C)=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587475486 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CCC5=C(OC(C)=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587475498 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475617 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475618 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475619 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587475620 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587475632 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587475635 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](n2cnc3c(OCc4ccccc4)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)C[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1 ZINC000587475716 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](n2cnc3c(OCc4ccccc4)nc(NC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)nc32)C[C@H](OCc2ccccc2)[C@H]1COCc1ccccc1 ZINC000587475719 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)[C@@H]2C1 ZINC000587475813 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)[C@@H]2C1 ZINC000587475814 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)[C@H]2C1 ZINC000587475815 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)[C@H]2C1 ZINC000587475818 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc3ccccc13)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587475870 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc3ccccc13)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587475878 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc3ccccc13)(c1cn(C[C@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587475879 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc3ccccc13)(c1cn(C[C@@H]3CCCCN3C)c3ccccc13)CC2=O ZINC000587475881 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CCN(C(=O)C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC1)CC2=O ZINC000587475884 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(C)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587475990 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(C)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587476001 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587476028 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587476037 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)CN1CCN(C[C@H](OCC)c3ccccc3)CC1)CC2=O ZINC000587476059 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587476065 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587476066 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cc3cc(C(=O)c4ccccc4)c(O)cc3OC)c(OC)cc1O)CC2=O ZINC000587476092 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cc3cc(C(=O)c4ccccc4)c(O)cc3OC)c(OC)cc1O)CC2=O ZINC000587476093 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@H]4[C@H](CC[C@@]31C)C1=C(C[C@H]4C)CC(OC)(OC)CC1)CC2=O ZINC000587476105 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@H]4[C@H](CC[C@@]31C)C1=C(C[C@H]4C)CC(OC)(OC)CC1)CC2=O ZINC000587476108 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587476141 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587476144 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(C)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587476217 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(C)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587476218 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc13)CC2=O ZINC000587476236 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc13)CC2=O ZINC000587476237 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587476313 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]32[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587476320 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCc3ccccc3)cc1OCc1ccccc1)CC2=O ZINC000587476344 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCc3ccccc3)cc1OCc1ccccc1)CC2=O ZINC000587476345 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)CN1CCN(C[C@H](OCC)c3ccccc3)CC1)CC2=O ZINC000587476380 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)CN1CCN(C[C@@H](OCC)c3ccccc3)CC1)CC2=O ZINC000587476385 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)CN1CCN(C[C@@H](OCC)c3ccccc3)CC1)CC2=O ZINC000587476388 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C(=O)O)cc1)CC2=O ZINC000587476427 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCN1CCC(OC(c3ccccc3)c3ccccc3)CC1)(c1ccc(C(C)(C)C(=O)O)cc1)CC2=O ZINC000587476449 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@@H]1c1ccc(OC)c(OC)c1 ZINC000587476515 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@H]1c1ccc(OC)c(OC)c1 ZINC000587476519 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@@H]1c1ccc(OC)c(OC)c1 ZINC000587476522 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cc(CC)ccc2O[C@H]1c1ccc(OC)c(OC)c1 ZINC000587476526 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OC)c(OC)c2)Oc2ccc(CC)cc21 ZINC000587476636 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OC)c(OC)c2)Oc2ccc(CC)cc21 ZINC000587476645 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)c(OC)c2)Oc2ccc(CC)cc21 ZINC000587476647 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)c(OC)c2)Oc2ccc(CC)cc21 ZINC000587476648 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587476652 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587476659 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587476661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2cc(C)c(C)cc21 ZINC000587476663 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2c(CC=C(C)C)c(O)cc(O)c21 ZINC000587476665 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)CC2=O ZINC000587476794 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCCC ZINC000587476796 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc(O)c(CCC)c3O2)cc1OCCC ZINC000587476797 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)CC2=O ZINC000587476808 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)CC2=O ZINC000587476815 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C1(C)C)CC2=O ZINC000587476818 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C(C)=C(OC)C1=O ZINC000587477029 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C(C)=C(OC)C1=O ZINC000587477031 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C(C)=C(OC)C1=O ZINC000587477034 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C(C)=C(OC)C1=O ZINC000587477036 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3n1C)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587477060 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3n1C)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587477062 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2c(CC=C(C)C)c(O)cc(O)c21 ZINC000587477160 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(OC)cc2)Oc2c(CC=C(C)C)c(O)cc(O)c21 ZINC000587477161 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(OC)cc2)Oc2c(CC=C(C)C)c(O)cc(O)c21 ZINC000587477162 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(C(=O)O)cc21 ZINC000587477228 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCN(C(=O)OC(C)(C)C)CC2)Oc2ccc(C(=O)O)cc21 ZINC000587477230 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(CN3C(=O)c4ccccc4C3=O)c1)(c1ccccn1)CC2=O ZINC000587477271 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(CN3C(=O)c4ccccc4C3=O)c1)(c1ccccn1)CC2=O ZINC000587477274 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587477460 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587477470 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)CC2=O ZINC000587477742 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)CC2=O ZINC000587477744 KK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccc(Oc3ccccc3)cc1)(c1ccc(Oc3ccccc3)cc1)CC2=O ZINC000587477757 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(C)C5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)CC2=O ZINC000587477797 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(C)C5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)CC2=O ZINC000587477798 KK Annotated Mild CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C(=O)C1 ZINC000587477847 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C(=O)C1 ZINC000587477855 KK Annotated Clean CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)ccc21 ZINC000587477950 KK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)ccc21 ZINC000587477951 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3CC(=O)c4ccc(O)c(CCC)c4O3)ccc21 ZINC000587477952 KK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3CC(=O)c4ccc(O)c(CCC)c4O3)ccc21 ZINC000587477953 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cn1c(NCCCO)nc3cc(C)c(C)cc31)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O ZINC000587477958 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cn1c(NCCCO)nc3cc(C)c(C)cc31)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O ZINC000587477959 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587477967 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](c2ccc(N3CCCC3)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587477969 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587477970 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](c2ccc(N3CCCC3)c(OC)c2)Oc2cc(C)c(C)cc21 ZINC000587477971 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCN(C(=O)OCc3ccccc3)CC1)CC2=O ZINC000587478004 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCN(C(=O)OCc3ccccc3)CC1)CC2=O ZINC000587478005 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccccc1)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)CC2=O ZINC000587478017 KK Annotated Clean CCCc1c(O)ccc2c1O[C@](C(=O)c1ccccc1)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)CC2=O ZINC000587478019 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(-c3ccccc3)cc1)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587478061 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(-c3ccccc3)cc1)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587478067 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587478185 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCCOc3ccc(C(=O)OC)cc3)cc1)CC2=O ZINC000587478203 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C1)CC2=O ZINC000587478249 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C1)CC2=O ZINC000587478299 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C1)CC2=O ZINC000587478304 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C1)CC2=O ZINC000587478310 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587478325 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]31C)CC2=O ZINC000587478372 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]31C)CC2=O ZINC000587478377 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587478384 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]31C)CC2=O ZINC000587478396 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]31C)CC2=O ZINC000587478404 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]21 ZINC000587478445 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3C[C@H](O)CC[C@]3(C)[C@H]21 ZINC000587478453 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587478461 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587478480 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]34C)C1(C)C)CC2=O ZINC000587478609 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@@H]([C@@](C)(O)CCC=C(C)C)CC[C@]34C)C1(C)C)CC2=O ZINC000587478644 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@]1(C)O ZINC000587478711 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=O)c5c4O)c(O)c13)CC2=O ZINC000587478713 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@]1(C)O ZINC000587478720 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(O)c(O)c(C(C)C)c3cc(C)c(-c4c(C)cc5c(C(C)C)c(O)c(O)c(C=O)c5c4O)c(O)c13)CC2=O ZINC000587478731 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)cc(CO)c7c8c(C)cc(O)c1c8c(c23)c(c54)c67 ZINC000587478814 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(O)c3c4c(O)cc(O)c5c(=O)c6c(O)cc(CO)c7c8c(C)cc(O)c1c8c(c23)c(c54)c67 ZINC000587478827 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587478855 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587478866 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOc3ccc(OCC)cc3)c(OCC)c1)CC2=O ZINC000587478869 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587478879 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587478885 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587478887 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587478889 KK Annotated Mild CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CN(Cc3ccccc3)C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000587478951 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(OCC)c1)CC2=O ZINC000587478954 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c(OCC)c1)CC2=O ZINC000587478958 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]31C)CC2=O ZINC000587479014 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3nn(-c4ccccc4)cc3C=O)cc1)CC2=O ZINC000587479016 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]31C)CC2=O ZINC000587479018 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1-c1ccc(-c3nn(-c4ccccc4)cc3C=O)cc1)CC2=O ZINC000587479021 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)CC2=O ZINC000587479128 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)CC2=O ZINC000587479130 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)CC2=O ZINC000587479131 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)O)c1cn(C)c3ccccc13)(c1ccc(C3CCCCC3)cc1)CC2=O ZINC000587479132 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3c(C)cc(C(C)(C)C)cc3C)c(OC)c1)CC2=O ZINC000587479226 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3c(C)cc(C(C)(C)C)cc3C)c(OC)c1)CC2=O ZINC000587479235 KK Annotated Anodyne CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587479242 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOc3ccc(OCC)cc3)c(OCC)c1)CC2=O ZINC000587479307 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)CC2=O ZINC000587479430 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc1)CC2=O ZINC000587479447 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc13)CC2=O ZINC000587479455 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc13)CC2=O ZINC000587479462 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@@H](OC(C)=O)/C=C/[C@@]1(C)O ZINC000587479525 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32[C@@H](OC(C)=O)/C=C/[C@@]1(C)O ZINC000587479551 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23[C@H](OC(C)=O)/C=C/[C@@]1(C)O ZINC000587479561 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32[C@H](OC(C)=O)/C=C/[C@@]1(C)O ZINC000587479572 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@]3(CC(=O)c4ccc(O)c(CCC)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587479674 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(CC(=O)c4ccc(O)c(CCC)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587479689 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@]3(CC(=O)c4ccc(O)c(CCC)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587479694 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(CC(=O)c4ccc(O)c(CCC)c4O3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587479700 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)c(C(=O)OC)c1)CC2=O ZINC000587480079 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c(C(=O)OC)c1)CC2=O ZINC000587480087 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)c(C(=O)OC)c1)CC2=O ZINC000587480091 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000587480162 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@@H]1C ZINC000587480170 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000587480177 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@@H]1C ZINC000587480184 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)(c1ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc1)CC2=O ZINC000587480226 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]32C)[C@@H]1C ZINC000587480227 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)(c1ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc1)CC2=O ZINC000587480228 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000587480231 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]32C)[C@H]1C ZINC000587480236 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C1)CC2=O ZINC000587480239 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)C=C2C(=CC=C3[C@@]2(C)CC[C@@]2(C)[C@@H]4C[C@](C)(C(=O)OC)CC[C@]4(C)CC[C@]32C)[C@@H]1C ZINC000587480240 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C1)CC2=O ZINC000587480244 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480259 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480260 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480262 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587480265 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587480558 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587480562 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587480626 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c1=O)CC2=O ZINC000587480631 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587480732 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587480742 KK Annotated Clean CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC[C@H](NC(=O)OC(C)(C)C)C3)c(C(=O)OC)c1)CC2=O ZINC000587480768 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587481012 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587481024 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]21C ZINC000587481027 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587481040 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587481045 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)ccc(O)c2Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c21 ZINC000587481137 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)ccc(O)c2Oc2c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c21 ZINC000587481149 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c1)CC2=O ZINC000587481164 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c1)CC2=O ZINC000587481165 KK Annotated Anodyne C=CCn1c(Cl)c([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)sc1=NS(=O)(=O)c1cccs1 ZINC000587481220 KK Annotated Mild C=CCn1c(Cl)c([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)sc1=NS(=O)(=O)c1cccs1 ZINC000587481224 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587481278 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587481282 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587481303 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587481304 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587481309 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587481312 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587481313 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587481314 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587481321 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587481323 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)CC2=O ZINC000587481326 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587481327 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)CC2=O ZINC000587481328 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)cc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587481331 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587481392 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCCOc3ccc(C(=O)OC)cc3)c1)CC2=O ZINC000587481394 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587481408 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587481417 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587481422 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587481430 KK Annotated Bother CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21 ZINC000587481616 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](Cc1nc3ccccc3[nH]1)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587481680 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](Cc1nc3ccccc3[nH]1)(c1cc(OC)c(OC)c(OC)c1)CC2=O ZINC000587481683 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@@H](C(=O)OC)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587481989 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@H](C(=O)OC)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587482006 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C[C@@H](C(=O)OC)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587482008 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C[C@H](C(=O)OC)c1ccc(OC)cc1)(c1ccc(OC)cc1)CC2=O ZINC000587482010 KK Annotated Anodyne CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482018 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482020 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482022 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587482026 KK Annotated Mild CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1 ZINC000587482094 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1 ZINC000587482100 KK Annotated Clean CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4C[C@H](OC(C)=O)[C@@]31C)CC2=O ZINC000587482130 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4C[C@H](OC(C)=O)[C@@]31C)CC2=O ZINC000587482140 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C1)CC2=O ZINC000587482309 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C1)CC2=O ZINC000587482312 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC(=O)[C@@H]43)C1)CC2=O ZINC000587482313 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H]3C(=O)O)C1)CC2=O ZINC000587482314 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C1)CC2=O ZINC000587482317 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C1)CC2=O ZINC000587482320 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587482338 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OCC)(c1ccc(OCc3ccccc3)cc1)CC2=O ZINC000587482344 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](CN5C[C@@H](C)CC[C@H]5[C@@]4(C)O)[C@@H]3C[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 ZINC000587482425 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2[C@@H]3CC[C@@H]4[C@@H](CN5C[C@@H](C)CC[C@H]5[C@@]4(C)O)[C@@H]3C[C@@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 ZINC000587482437 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482473 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587482476 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587482484 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587482485 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587482488 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587482491 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3c(Br)ccnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587482518 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3c(Br)ccnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587482557 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@H]3C1)CC2=O ZINC000587482600 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@@H]3C1)CC2=O ZINC000587482625 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)(C(O)O)CC2=O ZINC000587482636 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@H]3C1)CC2=O ZINC000587482642 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@@H]3C1)CC2=O ZINC000587482647 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(OCc3ccccc3)cc(OCc3ccccc3)c1)(C(O)O)CC2=O ZINC000587482648 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587482663 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587482674 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@@H]1C1CCCC1 ZINC000587482732 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Br)cnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587482739 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Br)cnc3n1S(=O)(=O)c1ccccc1)CC2=O ZINC000587482740 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@H]1C1CCCC1 ZINC000587482743 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@H]1C1CCCC1 ZINC000587482747 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(cc(OCc3cccc(-c4ccc(C(=O)O)cc4)c3)c(C)c2C)C[C@@H]1C1CCCC1 ZINC000587482748 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O[C@H]1c1ccc(OC)cc1 ZINC000587482940 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O[C@H]1c1ccc(OC)cc1 ZINC000587482941 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O[C@@H]1c1ccc(OC)cc1 ZINC000587482942 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2c(O)cc(O)c(CC=C(C)C)c2O[C@@H]1c1ccc(OC)cc1 ZINC000587482943 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)(c1cc(OC)c(OC)cc1[C@@H](CC)C(C)=O)CC2=O ZINC000587483013 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)(c1cc(OC)c(OC)cc1[C@H](CC)C(C)=O)CC2=O ZINC000587483015 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)(c1cc(OC)c(OC)cc1[C@H](CC)C(C)=O)CC2=O ZINC000587483017 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)(c1cc(OC)c(OC)cc1[C@@H](CC)C(C)=O)CC2=O ZINC000587483018 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587483059 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587483061 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1OC)([C@@H](C)c1ccc(CC(C)C)cc1)CC2=O ZINC000587483065 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1OC)([C@H](C)c1ccc(CC(C)C)cc1)CC2=O ZINC000587483069 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1OC)([C@@H](C)c1ccc(CC(C)C)cc1)CC2=O ZINC000587483071 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1OC)([C@H](C)c1ccc(CC(C)C)cc1)CC2=O ZINC000587483074 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1C4=O ZINC000587483077 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1C4=O ZINC000587483086 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587483145 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587483150 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587483154 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c1c24)C(=O)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587483158 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 ZINC000587483376 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)[C@H]21 ZINC000587483386 KK Annotated Anodyne CCCCCCCCOc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(OCCCCCCCC)cc1C=O ZINC000587483493 KK Annotated Mild CCCCCCCCOc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(OCCCCCCCC)cc1C=O ZINC000587483505 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@]13O[C@@H]1C[C@@H]1[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]13C)CC2=O ZINC000587483632 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]13O[C@@H]1C[C@@H]1[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]13C)CC2=O ZINC000587483640 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]13O[C@@H]1C[C@@H]1[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]13C)CC2=O ZINC000587483648 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@]13O[C@@H]1C[C@@H]1[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]13C)CC2=O ZINC000587483661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C([C@H]2OCCc3cc(OC)c(OC)cc32)=COc2ccccc21 ZINC000587483742 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C([C@@H]2OCCc3cc(OC)c(OC)cc32)=COc2ccccc21 ZINC000587483748 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C([C@H]2OCCc3cc(OC)c(OC)cc32)=COc2ccccc21 ZINC000587483751 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C([C@@H]2OCCc3cc(OC)c(OC)cc32)=COc2ccccc21 ZINC000587483755 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@@H](CC[C@]4(C)O3)C1(C)C)CC2=O ZINC000587483757 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@H](CC[C@]4(C)O3)C1(C)C)CC2=O ZINC000587483760 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@@H](CC[C@@]4(C)O3)C1(C)C)CC2=O ZINC000587483763 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(O)cc3c(c1O)[C@@H]1[C@@H]4[C@H](CC[C@@]4(C)O3)C1(C)C)CC2=O ZINC000587483768 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3c(O)cccc3C1=O)CC2=O ZINC000587483777 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3c(O)cccc3C1=O)CC2=O ZINC000587483780 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3c(O)cccc3C1=O)CC2=O ZINC000587483783 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3c(O)cccc3C1=O)CC2=O ZINC000587483784 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587483802 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587483816 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587483818 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587483824 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(C)C)c(CC(C(=O)OCC)C(=O)OCC)c1)CC2=O ZINC000587483831 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(C)C)c(CC(C(=O)OCC)C(=O)OCC)c1)CC2=O ZINC000587483834 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cn(S(=O)(=O)c3ccccc3)c3cc(Br)ccc13)CC2=O ZINC000587483867 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cn(S(=O)(=O)c3ccccc3)c3cc(Br)ccc13)CC2=O ZINC000587483871 KK Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(CC(=O)c4ccc(O)c(CCC)c4O3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587483931 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(CC(=O)c4ccc(O)c(CCC)c4O3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587483934 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1cc(-c3ccccc3)nc3ccccc13)([C@H]1CCCNC1=O)CC2=O ZINC000587483935 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(-c3ccccc3)nc3ccccc13)([C@@H]1CCCNC1=O)CC2=O ZINC000587483936 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(-c3ccccc3)nc3ccccc13)([C@H]1CCCNC1=O)CC2=O ZINC000587483938 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(-c3ccccc3)nc3ccccc13)([C@@H]1CCCNC1=O)CC2=O ZINC000587483941 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CP(=O)(OC)OC)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587484003 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CP(=O)(OC)OC)([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)CC2=O ZINC000587484004 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H]1O ZINC000587484013 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H]1O ZINC000587484022 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H]1O ZINC000587484024 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H]1O ZINC000587484026 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(OC(=O)CC)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587484038 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587484039 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(OC(=O)CC)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587484045 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc1c2c73)c4c65 ZINC000587484046 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)([C@@H](CC)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484159 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H](CC)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484162 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H](CC)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484165 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@@H](CC)c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)CC2=O ZINC000587484168 KK Annotated Anodyne CCCCC(=O)O[C@]1([C@@]2(CO)CC(=O)c3ccc(O)c(CCC)c3O2)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587484240 KK Annotated Mild CCCCC(=O)O[C@]1([C@]2(CO)CC(=O)c3ccc(O)c(CCC)c3O2)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587484244 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4C(=O)C=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587484300 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccc(Oc3ccccc3)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587484413 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Oc3ccccc3)cc1)(c1conc1C(=O)OCC)CC2=O ZINC000587484414 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1Cc1ccccc1)(c1c(C)[nH]c(C)c1C(=O)OC)CC2=O ZINC000587484435 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cc1ccccc1)(c1c(C)[nH]c(C)c1C(=O)OC)CC2=O ZINC000587484440 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)c(OC)c3)Oc3cc(OC)c(OC)c(OC)c31)CC2=O ZINC000587484581 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)c(OC)c3)Oc3cc(OC)c(OC)c(OC)c31)CC2=O ZINC000587484607 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(-c3ccccc3)cc2)=COc2cc(O)c(CC)cc21 ZINC000587484677 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(-c3ccccc3)cc2)=COc2cc(O)c(CC)cc21 ZINC000587484684 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2c3cccc2C(=O)c2cccc(c21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587484731 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4C(=O)C=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587485001 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)OCC)CC2=O ZINC000587485021 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C(=O)OCC)CC2=O ZINC000587485025 KK Annotated Unstable CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2C(=Cc2ccc(OC)c(O)c2)c2ccccc21 ZINC000587485073 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485080 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485086 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485087 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc(O)c(CCC)c1O2 ZINC000587485088 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587485101 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587485103 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587485105 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)C1=O ZINC000587485106 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587485143 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O ZINC000587485144 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1cccc(OC)c1)CC2=O ZINC000587485328 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1cccc(OC)c1)CC2=O ZINC000587485337 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc[nH]1)([C@@H](C)[C@H]1O[C@@]3(CC[C@@H](C)[C@@H](Cc4nc5c(C(=O)O)c(NC)ccc5o4)O3)[C@H](C)C[C@H]1C)CC2=O ZINC000587485355 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc[nH]1)([C@@H](C)[C@H]1O[C@@]3(CC[C@@H](C)[C@@H](Cc4nc5c(C(=O)O)c(NC)ccc5o4)O3)[C@H](C)C[C@H]1C)CC2=O ZINC000587485361 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587485429 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1 ZINC000587485435 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587485453 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587485461 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCOc3ccc(OCc4ccccc4)cc3)c1)CC2=O ZINC000587485462 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)[C@@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587485464 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587485468 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)[C@H](CC2CCC(C(C)(C)C)CC2)C(=O)c2ccccc21 ZINC000587485473 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3ccc(O)cc3C1=O)CC2=O ZINC000587485573 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3ccc(O)cc3C1=O)CC2=O ZINC000587485576 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3ccc(O)cc3C1=O)CC2=O ZINC000587485579 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3ccc(O)cc3C1=O)CC2=O ZINC000587485583 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2[C@@H](CC[C@H]3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]2C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]3[C@]21C ZINC000587485619 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2[C@@H](CC[C@H]3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]2C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]3[C@]21C ZINC000587485629 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2N(C)c2cc3c(=O)c4ccccc4n(C)c3cc21 ZINC000587485647 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2N(C)c2cc3c(=O)c4ccccc4n(C)c3cc21 ZINC000587485651 KK Annotated Bother CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587485687 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587485689 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)OCC)C[C@@H]3C1)CC2=O ZINC000587485727 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)OCC)C[C@@H]3C1)CC2=O ZINC000587485741 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)[C@@H](C(=O)OCC)C[C@H]3C1)CC2=O ZINC000587485743 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC(C)(C)C)[C@H](C(=O)OCC)C[C@H]3C1)CC2=O ZINC000587485746 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)N2Cc1ccccc1 ZINC000587485786 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)N2Cc1ccccc1 ZINC000587485788 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587485810 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587485817 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1CC(=O)OCC ZINC000587485853 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1CC(=O)OCC ZINC000587485857 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1CC(=O)OCC ZINC000587485860 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OCCCC(=O)O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587485983 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OCCCC(=O)O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587485999 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)CC2=O ZINC000587486036 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)CC2=O ZINC000587486047 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccccc1)CC2=O ZINC000587486071 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(=O)c1cc(C3CC3)nc3onc(C)c13)(c1ccccc1)CC2=O ZINC000587486077 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587486115 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc1)CC2=O ZINC000587486119 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](C(CC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587486268 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@@H](C(CC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587486276 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1C3=O ZINC000587486279 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1C3=O ZINC000587486289 KK Annotated Clean CCCc1c(O)ccc2c1OC1(CC2=O)c2cccc3c2C(=O)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587486368 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc[nH]1)([C@@H]1[C@H](/C=C/C=C(/CC)[C@@H]3O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]3C)C=C[C@@H]3[C@@H](CC)CC[C@@H]13)CC2=O ZINC000587486381 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc[nH]1)([C@@H]1[C@H](/C=C/C=C(/CC)[C@@H]3O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]3C)C=C[C@@H]3[C@@H](CC)CC[C@@H]13)CC2=O ZINC000587486421 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc[nH]1)([C@@H]1[C@H](/C=C/C=C(\CC)[C@@H]3O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]3C)C=C[C@@H]3[C@@H](CC)CC[C@@H]13)CC2=O ZINC000587486425 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc[nH]1)([C@@H]1[C@H](/C=C/C=C(\CC)[C@@H]3O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]3C)C=C[C@@H]3[C@@H](CC)CC[C@@H]13)CC2=O ZINC000587486429 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(/C=C\c3cccc(OC)c3)oc3c1cc(O)c1ccccc13)CC2=O ZINC000587486464 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(/C=C/c3cccc(OC)c3)oc3c1cc(O)c1ccccc13)CC2=O ZINC000587486471 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(/C=C\c3cccc(OC)c3)oc3c1cc(O)c1ccccc13)CC2=O ZINC000587486476 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(/C=C/c3cccc(OC)c3)oc3c1cc(O)c1ccccc13)CC2=O ZINC000587486486 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1CC(=O)OCC ZINC000587486511 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c1c25)OCOC3=CC4=O ZINC000587486524 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c3c(C)c(O)c4c(O)c(c(C=O)c(O)c24)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O3 ZINC000587486533 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c1c25)OCOC3=CC4=O ZINC000587486535 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c1c25)OCOC3=CC4=O ZINC000587486542 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(C[C@@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c1c25)OCOC3=CC4=O ZINC000587486544 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c3c(C)c(O)c4c(O)c(c(C=O)c(O)c24)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O3 ZINC000587486546 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C(=O)OCC)C(=O)OCC)(C1(c3ccccc3)CCCC1)CC2=O ZINC000587486767 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C(C(=O)OCC)C(=O)OCC)(C1(c3ccccc3)CCCC1)CC2=O ZINC000587486774 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C1CCC1)CC2=O ZINC000587486871 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@](C(C(=O)OC)=P(c1ccccc1)(c1ccccc1)c1ccccc1)(C1CCC1)CC2=O ZINC000587486879 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3c4c(cc(OC)c31)OC(C)(C)C=C4)CC2=O ZINC000587486956 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3c4c(cc(OC)c31)OC(C)(C)C=C4)CC2=O ZINC000587486966 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2ccc(O)cc2)=COc2c3c(c(CC=C(C)C)c(O)c21)OC(C)(C)C=C3 ZINC000587487005 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2ccc(O)cc2)=COc2c3c(c(CC=C(C)C)c(O)c21)OC(C)(C)C=C3 ZINC000587487014 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(CC(=O)c7ccc(O)c(CCC)c7O6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587487145 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(CC(=O)c7ccc(O)c(CCC)c7O6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587487166 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(-c3ncc(-c4ccc(OC)cc4)o3)cccc21 ZINC000587487297 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(-c3ncc(-c4ccc(OC)cc4)o3)cccc21 ZINC000587487310 KK Annotated Anodyne CCCc1c(O)ccc2c1OC(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)CC2=O ZINC000587487499 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)CC2=O ZINC000587487547 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)CC2=O ZINC000587487551 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC2=O ZINC000587487554 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)CC2=O ZINC000587487558 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c3c(O)c4c(O)c(C)c5c(c4c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)C(=O)N3)O5)CC2=O ZINC000587487566 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@H](c1c3c(O)c4c(O)c(C)c5c(c4c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(C)C(=O)N3)O5)CC2=O ZINC000587487574 KK Annotated Clean CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1C)CC2=O ZINC000587487649 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1C)CC2=O ZINC000587487661 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587487737 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587487742 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CP(=O)(OC)OC)([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2=O ZINC000587487940 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CP(=O)(OC)OC)([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC2=O ZINC000587487948 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)c3c(C)cc(C(C)(C)C)cc3C)cc1)(c1c(C)cc(C(C)(C)C)cc1C)CC2=O ZINC000587488039 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccsc1)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587488066 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)c3c(C)cc(C(C)(C)C)cc3C)cc1)(c1c(C)cc(C(C)(C)C)cc1C)CC2=O ZINC000587488071 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccsc1)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587488078 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587488095 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2=O ZINC000587488111 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)CC)c(Cl)c1Cl)CC2=O ZINC000587488126 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)CC)c(Cl)c1Cl)CC2=O ZINC000587488140 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3Cl)c(OC)c1)CC2=O ZINC000587488354 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)c3cc(S(=O)(=O)N(CC)CC)ccc3Cl)c(OC)c1)CC2=O ZINC000587488363 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@]3(C)C4=C(CC[C@H]3C1(C)C)[C@@]1(C)CC[C@@H]([C@H](CCC=C(C)C)C(=O)O)[C@]1(C)CC4)CC2=O ZINC000587488562 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@]3(C)C4=C(CC[C@H]3C1(C)C)[C@@]1(C)CC[C@@H]([C@H](CCC=C(C)C)C(=O)O)[C@]1(C)CC4)CC2=O ZINC000587488565 KK Annotated Anodyne CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587488695 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2Oc2c3c(cc(OC)c21)O[C@@H]1OC=C[C@H]31 ZINC000587488784 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2Oc2c3c(cc(OC)c21)O[C@@H]1OC=C[C@@H]31 ZINC000587488788 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2Oc2c3c(cc(OC)c21)O[C@H]1OC=C[C@@H]31 ZINC000587488789 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cccc2Oc2c3c(cc(OC)c21)O[C@H]1OC=C[C@H]31 ZINC000587488791 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(=O)OCC)CC2=O ZINC000587488904 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CC(=O)OCC)CC2=O ZINC000587488905 KK Annotated Unstable CCCOc1ccn2c([C@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587488920 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)CC(=O)c4ccc(O)c(CCC)c4O3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587488922 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587488948 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)CC2=O ZINC000587488954 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(OC)c1)CC2=O ZINC000587489214 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)c(OC)c1)CC2=O ZINC000587489217 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)(c1cccc3ccccc13)CC2=O ZINC000587489344 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccn(S(=O)(=O)c3ccc(C)cc3)c1)(c1cccc3ccccc13)CC2=O ZINC000587489345 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H]1O ZINC000587489347 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H]1O ZINC000587489348 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H]1O ZINC000587489349 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)[C@H]1O ZINC000587489350 KK Annotated Mild CCCc1c(O)ccc2c1OC1(CC2=O)c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21 ZINC000587489409 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccc(O)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587489425 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587489426 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587489427 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc3ccccc3C1=O)CC2=O ZINC000587489428 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(CCc3ccccc3)cc1)(c1cccc3ccccc13)CC2=O ZINC000587489437 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(CCc3ccccc3)cc1)(c1cccc3ccccc13)CC2=O ZINC000587489440 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c3ccccc13)(c1ncc(C(=O)O)c3cc(OC)c(OC)cc13)CC2=O ZINC000587489516 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c3ccccc13)(c1ncc(C(=O)O)c3cc(OC)c(OC)cc13)CC2=O ZINC000587489528 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3c(CSc4nncn4C)cc(Cl)cc3c1=O)CC2=O ZINC000587489716 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3c(CSc4nncn4C)cc(Cl)cc3c1=O)CC2=O ZINC000587489725 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c1)CC2=O ZINC000587489732 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c1)CC2=O ZINC000587489736 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1scc(-c3ccccc3)c1C(=O)OCC)CC2=O ZINC000587489861 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1scc(-c3ccccc3)c1C(=O)OCC)CC2=O ZINC000587489865 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587489913 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)cc1Cl)(c1c(C)nn(C)c1OS(=O)(=O)c1ccc(C)cc1)CC2=O ZINC000587489915 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587490071 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@H]1CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]31C)CC2=O ZINC000587490077 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c1)CC2=O ZINC000587490117 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c1)CC2=O ZINC000587490129 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CO)([C@@H]1CC[C@H]3[C@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@]31C)CC2=O ZINC000587490137 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@H]1CC[C@H]3[C@@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@@]13C)CC2=O ZINC000587490141 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@H]1CC[C@H]3[C@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@]31C)CC2=O ZINC000587490146 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CO)([C@@H]1CC[C@H]3[C@@]1(C)CC[C@H]1[C@@]4(C)CCC(=O)C=C4CC[C@@]13C)CC2=O ZINC000587490149 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)CC2=O ZINC000587490202 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)CC2=O ZINC000587490214 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)c(OC)c1)(c1nccc3cc(OC)c(OC)cc13)CC2=O ZINC000587490238 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)CC2=O ZINC000587490241 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)([C@@H](O)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587490242 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](O)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587490244 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)c(OC)c1)(c1nccc3cc(OC)c(OC)cc13)CC2=O ZINC000587490245 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C=P(c1ccccc1)(c1ccccc1)c1ccccc1)(CCl)CC2=O ZINC000587490247 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)([C@H](O)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587490248 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)([C@H](O)c1ccc(C(C)(C)C)cc1)CC2=O ZINC000587490252 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CC2=O ZINC000587490270 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)c(OC)c3)Oc3c1ccc1ccccc31)CC2=O ZINC000587490273 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)c(OC)c3)Oc3c1ccc1ccccc31)CC2=O ZINC000587490275 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CC2=O ZINC000587490282 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccc(O)cc1 ZINC000587490295 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccc(O)cc1 ZINC000587490296 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccc(O)cc1 ZINC000587490297 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccc(O)cc1 ZINC000587490299 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1P(C1CCCCC1)C1CCCCC1)CC2=O ZINC000587490329 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1P(C1CCCCC1)C1CCCCC1)CC2=O ZINC000587490336 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(OC)c1)CC2=O ZINC000587490346 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(OC)c1)CC2=O ZINC000587490366 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2OC(=O)[C@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587490377 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2OC(=O)[C@@H]1[C@@H](CC(C)=O)c1ccccc1 ZINC000587490380 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2OC(=O)[C@@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587490384 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587490386 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(O)c2OC(=O)[C@H]1[C@H](CC(C)=O)c1ccccc1 ZINC000587490387 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587490392 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccccc3Cl)c1SCC(=O)O)CC2=O ZINC000587490415 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccccc3Cl)c1SCC(=O)O)CC2=O ZINC000587490425 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccccc1C(=O)OC)CC2=O ZINC000587490570 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000587490572 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccccc1C(=O)OC)CC2=O ZINC000587490573 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C(=O)O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000587490575 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587490768 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])c(OC)c1)CC2=O ZINC000587490776 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](CC)([C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C)CC2=O ZINC000587490783 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C1)CC2=O ZINC000587490784 KK Annotated Anodyne CCCCCCCCCCCC1(CCCCCCCCCCC)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587490786 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CC)([C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C)CC2=O ZINC000587490787 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C)CC2=O ZINC000587490788 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C1)CC2=O ZINC000587490789 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CC)([C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)O)C(C)C)CC2=O ZINC000587490790 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C1)CC2=O ZINC000587490794 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C1)CC2=O ZINC000587490801 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)c1CC)CC2=O ZINC000587490804 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)Nc3cc(S(=O)(=O)N(CC)CC)ccc3O)c1CC)CC2=O ZINC000587490827 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CCCCC1OCCO1)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587490835 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCCCC1OCCO1)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O ZINC000587490840 KK Annotated Anodyne CCCc1c(O)ccc2c1OC1(CC2=O)c2cc(S(=O)(=O)Cl)ccc2-c2ccc(S(=O)(=O)Cl)cc21 ZINC000587490851 KK Annotated Unstable CCCc1c(O)ccc2c1O[C@]1(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C1(C)C)CC2=O ZINC000587490944 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C1(C)C)CC2=O ZINC000587490959 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C1(C)C)CC2=O ZINC000587490963 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C1(C)C)CC2=O ZINC000587490968 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491043 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491046 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1scc(Br)c1Br)CC2=O ZINC000587491135 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CBr)(c1scc(Br)c1Br)CC2=O ZINC000587491137 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1SCC(=O)O)CC2=O ZINC000587491191 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1SCC(=O)O)CC2=O ZINC000587491192 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2C=C3C(=O)c4c(O)c5c(c(CC=C(C)C)c4O[C@@]34[C@@H](C2)C(C)(C)O[C@@]14C/C=C(\C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C5 ZINC000587491222 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587491223 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587491224 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2C=C3C(=O)c4c(O)c5c(c(CC=C(C)C)c4O[C@@]34[C@@H](C2)C(C)(C)O[C@]41C/C=C(\C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C5 ZINC000587491225 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587491226 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587491227 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2C=C3C(=O)c4c(O)c5c(c(CC=C(C)C)c4O[C@@]34[C@@H](C2)C(C)(C)O[C@]41C/C=C(/C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C5 ZINC000587491228 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2C=C3C(=O)c4c(O)c5c(c(CC=C(C)C)c4O[C@@]34[C@@H](C2)C(C)(C)O[C@@]14C/C=C(/C)C(=O)O)O[C@](C)(CCC=C(C)C)C=C5 ZINC000587491230 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)Oc2cc(OCC(=O)O)ccc21 ZINC000587491238 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)Oc2cc(OCC(=O)O)ccc21 ZINC000587491239 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)Oc2cc(OCC(=O)O)ccc21 ZINC000587491240 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)Oc2cc(OCC(=O)O)ccc21 ZINC000587491241 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C(=O)c1ccc(C(=O)C(=O)c3ccccc3)cc1)(c1ccccc1)CC2=O ZINC000587491334 KK Annotated Clean CCCc1c(O)ccc2c1O[C@](C(=O)c1ccc(C(=O)C(=O)c3ccccc3)cc1)(c1ccccc1)CC2=O ZINC000587491335 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@](c1ccc3cc(C(=O)c4c(C)ccc5cc(C)ccc45)ccc3c1)(c1c(C)ccc3cc(C)ccc13)CC2=O ZINC000587491336 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc3cc(C(=O)c4c(C)ccc5cc(C)ccc45)ccc3c1)(c1c(C)ccc3cc(C)ccc13)CC2=O ZINC000587491337 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(O)CC[C@H]3[C@@H]4C=C(C)C5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)CC2=O ZINC000587491386 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@]1(O)CC[C@H]3[C@@H]4C=C(C)C5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]31C)CC2=O ZINC000587491387 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]31C)CC2=O ZINC000587491399 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587491400 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587491401 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]31C)CC2=O ZINC000587491402 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491427 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491430 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587491456 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]31C)CC2=O ZINC000587491459 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)CC2=O ZINC000587491593 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)CC2=O ZINC000587491595 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)CC2=O ZINC000587491598 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](OS(=O)(=O)c1ccc(C)cc1)c1ccccc1)CC2=O ZINC000587491600 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(OC)cc1)CC2=O ZINC000587491617 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(OC)cc1)CC2=O ZINC000587491628 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@]1(O)CC[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]31C)CC2=O ZINC000587491630 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@]1(O)CC[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]31C)CC2=O ZINC000587491633 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@]1(O)CC[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]31C)CC2=O ZINC000587491634 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)([C@]1(O)CC[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@@]31C)CC2=O ZINC000587491638 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(C)=O)C[C@]31C)CC2=O ZINC000587491642 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(C)=O)C[C@@]31C)CC2=O ZINC000587491643 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(C)=O)C[C@]31C)CC2=O ZINC000587491647 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(C)=O)C[C@@]31C)CC2=O ZINC000587491649 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)cc3)Oc3c(OC)c(OC)c(OC)c(OC)c31)CC2=O ZINC000587491668 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)cc3)Oc3c(OC)c(OC)c(OC)c(OC)c31)CC2=O ZINC000587491673 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(OC)=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c21 ZINC000587491679 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(OC)=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c21 ZINC000587491685 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491804 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c1C)CC2=O ZINC000587491805 KK Annotated Clean CCCCCCCCCCCCCCCCCCCCC[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587491808 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)c1C)CC2=O ZINC000587491809 KK Annotated Clean CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(O)cc(CO)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587491855 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(O)cc(CO)c3c4c(C)cc(O)c5c(=O)c6c(O)cc(O)c7c8c(O)cc(O)c1c8c(c23)c(c54)c67 ZINC000587491861 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)([C@H](O)c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587491921 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(-c3ccccc3)cc1)([C@@H](O)c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587491922 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)([C@H](O)c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587491923 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(-c3ccccc3)cc1)([C@@H](O)c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587491924 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c24)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](C(=O)OC)[C@@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O3 ZINC000587491951 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c24)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](C(=O)OC)[C@@H](C)[C@@H](OC)/C=C/O[C@@]1(C)O3 ZINC000587491967 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](C)(c1sc(Nc3nc4ccccc4nc3Cl)c(C(=O)OCC)c1C)CC2=O ZINC000587492233 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(Nc3nc4ccccc4nc3Cl)c(C(=O)OCC)c1C)CC2=O ZINC000587492236 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)nc(Sc3ccc(Cl)cc3)n1-c1ccccc1)CC2=O ZINC000587492356 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Cl)nc(Sc3ccc(Cl)cc3)n1-c1ccccc1)CC2=O ZINC000587492363 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2nc(S)c(C#N)c(-c3ccc(OC)cc3)c21 ZINC000587492439 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2nc(S)c(C#N)c(-c3ccc(OC)cc3)c21 ZINC000587492442 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587492538 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587492549 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587492553 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587492557 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587492706 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587492712 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587492822 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587492826 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)CC2=O ZINC000587492830 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(O)ccc2-n2cnc3ccc(NCCN(CC)CC)c1c32 ZINC000587492935 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(O)ccc2-n2cnc3ccc(NCCN(CC)CC)c1c32 ZINC000587492944 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-c3sccc3Br)cc1)CC2=O ZINC000587493021 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3sccc3Br)cc1)CC2=O ZINC000587493023 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc13)CC2=O ZINC000587493046 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc13)CC2=O ZINC000587493047 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1coc3c(CSc4ncccn4)cc(Cl)cc3c1=O)CC2=O ZINC000587493098 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1coc3c(CSc4ncccn4)cc(Cl)cc3c1=O)CC2=O ZINC000587493100 KK Annotated Anodyne CCCC1=C2O[C@@]3(CC(O)=C2C=CC1=O)c1ccc(N(CC)CC)cc1OC(=O)[C@H]3/C=C/C1=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C ZINC000587493113 KK Annotated Mild CCCC1=C2O[C@]3(CC(O)=C2C=CC1=O)c1ccc(N(CC)CC)cc1OC(=O)[C@@H]3/C=C/C1=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C ZINC000587493114 KK Annotated Mild CCCC1=C2O[C@@]3(CC(O)=C2C=CC1=O)c1ccc(N(CC)CC)cc1OC(=O)[C@@H]3/C=C/C1=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C ZINC000587493115 KK Annotated Mild CCCC1=C2O[C@]3(CC(O)=C2C=CC1=O)c1ccc(N(CC)CC)cc1OC(=O)[C@H]3/C=C/C1=[N+](CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc2C1(C)C ZINC000587493118 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CO[C@]3(CC[C@H]4[C@@H]5[C@H](C(=O)OC)CC6=CC(=O)CC[C@]6(C)[C@]56O[C@@H]6C[C@@]43C)C1)CC2=O ZINC000587493120 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CO[C@]3(CC[C@H]4[C@@H]5[C@H](C(=O)OC)CC6=CC(=O)CC[C@]6(C)[C@]56O[C@@H]6C[C@@]43C)C1)CC2=O ZINC000587493122 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](c1ccc(Sc3ccccn3)c([N+](=O)[O-])c1)(c1ccccn1)CC2=O ZINC000587493134 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Sc3ccccn3)c([N+](=O)[O-])c1)(c1ccccn1)CC2=O ZINC000587493144 KK Annotated Bother CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@H]1C(=O)Oc3cc(O)ccc3C1=O)CC2=O ZINC000587493153 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@H]1C(=O)Oc3cc(O)ccc3C1=O)CC2=O ZINC000587493154 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc3cc(O)ccc3C1=O)CC2=O ZINC000587493155 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(C[C@H](c1ccccc1)[C@@H]1C(=O)Oc3cc(O)ccc3C1=O)CC2=O ZINC000587493156 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCC(C(C)(C)C)CC2)Oc2cc(OCC(=O)O)ccc21 ZINC000587493177 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCC(C(C)(C)C)CC2)Oc2cc(OCC(=O)O)ccc21 ZINC000587493178 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)CC2=O ZINC000587493214 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Br)cc1)CC2=O ZINC000587493215 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@@H]2CC(C)C)C1(C)C ZINC000587493216 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@H]2CC(C)C)C1(C)C ZINC000587493218 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Br)cc1)CC2=O ZINC000587493219 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@H]2CC(C)C)C1(C)C ZINC000587493221 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C)(C)C(=O)C2=C(Oc3cc(O)c(C(=O)CC(C)C)c(O)c3[C@@H]2CC(C)C)C1(C)C ZINC000587493224 KK Annotated Mild CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)OC)nn(-c3ccccc3)c1Sc1ccc(Cl)cc1)CC2=O ZINC000587493231 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493241 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CCCC3)CC2=O ZINC000587493242 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccs1)(c1ccc(OCC(=O)O)c(Cl)c1Cl)CC2=O ZINC000587493414 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccs1)(c1ccc(OCC(=O)O)c(Cl)c1Cl)CC2=O ZINC000587493415 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OC)nn(-c3ccccc3)c1Sc1ccc(Cl)cc1)CC2=O ZINC000587493487 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1ccccc1C(=O)O)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587493536 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1ccccc1C(=O)O)(c1ccc(-c3ccccc3)cc1)CC2=O ZINC000587493539 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(Sc3ccc(Br)cc3)n(C)c3ccccc13)CC2=O ZINC000587493550 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(Sc3ccc(Br)cc3)n(C)c3ccccc13)CC2=O ZINC000587493553 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3sc(-c4ccc(Cl)cc4)cc3C(=O)OCC)c1C)CC2=O ZINC000587493681 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3sc(-c4ccc(Cl)cc4)cc3C(=O)OCC)c1C)CC2=O ZINC000587493683 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587493968 KK Annotated Bother CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c1)CC2=O ZINC000587493969 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c(OC)c1)CC2=O ZINC000587493988 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3)c(OC)c1)CC2=O ZINC000587493989 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1cccc(OC)c1)(c1ccc(Br)cc1)CC2=O ZINC000587493990 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1cccc(OC)c1)(c1ccc(Br)cc1)CC2=O ZINC000587493991 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O ZINC000587494039 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O ZINC000587494043 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587494046 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587494049 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587494063 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c21 ZINC000587494072 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccc(OC)c(OC)c3)Oc3c(OC)c(OC)c(OC)c(OC)c31)CC2=O ZINC000587494116 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccc(OC)c(OC)c3)Oc3c(OC)c(OC)c(OC)c(OC)c31)CC2=O ZINC000587494118 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3)CC2=O ZINC000587494121 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@@H]1CC[C@@](C)(C[C@H]41)O3)CC2=O ZINC000587494124 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]41)O3)CC2=O ZINC000587494125 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(O)cc3c4c1OC(C)(C)[C@H]1CC[C@@](C)(C[C@H]41)O3)CC2=O ZINC000587494128 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(OC)ccc2Oc2c(OC)c(OC)c(OC)c(O)c21 ZINC000587494156 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587494158 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(OC)ccc2Oc2c(OC)c(OC)c(OC)c(O)c21 ZINC000587494163 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587494164 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587494166 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587494169 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)OCC)Oc3cccc(OC[C@@H](O)COc4cccc5oc(C(=O)OCC)cc(=O)c45)c31)CC2=O ZINC000587494185 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)OCC)Oc3cccc(OC[C@H](O)COc4cccc5oc(C(=O)OCC)cc(=O)c45)c31)CC2=O ZINC000587494190 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)OCC)Oc3cccc(OC[C@H](O)COc4cccc5oc(C(=O)OCC)cc(=O)c45)c31)CC2=O ZINC000587494193 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)OCC)Oc3cccc(OC[C@@H](O)COc4cccc5oc(C(=O)OCC)cc(=O)c45)c31)CC2=O ZINC000587494198 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(-c3ccccc3)cc2)=COc2cc(O)ccc21 ZINC000587494230 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1sc(N3CCCCC3)nc1C)CC2=O ZINC000587494241 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@](c1ccc(Cl)c([N+](=O)[O-])c1)(c1sc(N3CCCCC3)nc1C)CC2=O ZINC000587494242 KK Annotated Bother CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(-c3ccccc3)cc2)=COc2cc(O)ccc21 ZINC000587494244 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)CC(=O)c4ccc(O)c(CCC)c4O3)[C@H]1C2 ZINC000587494263 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)CC(=O)c4ccc(O)c(CCC)c4O3)[C@H]1C2 ZINC000587494265 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)CC(=O)c4ccc(O)c(CCC)c4O3)[C@H]1C2 ZINC000587494267 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](C)(c1sc(NCCc3ccc(OCC)c(OCC)c3)nc1C)CC2=O ZINC000587494269 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)CC(=O)c4ccc(O)c(CCC)c4O3)[C@H]1C2 ZINC000587494270 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](C)(c1sc(NCCc3ccc(OCC)c(OCC)c3)nc1C)CC2=O ZINC000587494274 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(-c4ccc(Br)s4)s3)s1)CC2=O ZINC000587494287 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(-c4ccc(Br)s4)s3)s1)CC2=O ZINC000587494290 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1Sc1cccc3cccnc13)CC2=O ZINC000587494378 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1Sc1cccc3cccnc13)CC2=O ZINC000587494379 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(Oc2ccc(-c3ccccc3)cc2)=C(C)Oc2cc(O)ccc21 ZINC000587494403 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(Oc2ccc(-c3ccccc3)cc2)=C(C)Oc2cc(O)ccc21 ZINC000587494409 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(CSc3ccc(C)cc3)nn(C)c1Sc1ccc(Br)cc1)CC2=O ZINC000587494410 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(CSc3ccc(C)cc3)nn(C)c1Sc1ccc(Br)cc1)CC2=O ZINC000587494418 KK Annotated Anodyne CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587494470 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587494473 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@]1(CC[C@@]34CC[C@@H](C)[C@@](C)([C@H](OC(=O)CSc5nc(N)n[nH]5)C[C@@](C)(CC)[C@@H](O)[C@@H]3C)[C@H]14)CC2=O ZINC000587494484 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC[C@@]34CC[C@@H](C)[C@@](C)([C@H](OC(=O)CSc5nc(N)n[nH]5)C[C@@](C)(CC)[C@@H](O)[C@@H]3C)[C@@H]41)CC2=O ZINC000587494493 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1n[nH]c(C)n1)(c1ccc(OC)c(Br)c1)CC2=O ZINC000587494499 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1n[nH]c(C)n1)(c1ccc(OC)c(Br)c1)CC2=O ZINC000587494512 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(NS(=O)(=O)N3CCCCC3)cc1)CC2=O ZINC000587494534 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587494538 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587494542 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587494546 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(NS(=O)(=O)N3CCCCC3)cc1)CC2=O ZINC000587494548 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cc(OC)cc(OC)c1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587494550 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H]([C@H](CCSC)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587494583 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H]([C@H](CCSC)NC(=O)OCC1c3ccccc3-c3ccccc31)CC2=O ZINC000587494591 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587494595 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587494600 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587494608 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc(O)c(CCC)c5O4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587494613 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CO)([C@@]13O[C@H](CCC)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587494639 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13O[C@@H](CCC)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587494642 KK Annotated Mild CCCc1c(O)ccc2c1O[C@](CO)([C@@]13O[C@H](CCC)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587494643 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@](CO)([C@@]13O[C@@H](CCC)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]13C)CC2=O ZINC000587494647 KK Annotated Mild CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3nc(C)c(C(=O)OCC)s3)ccc1OCC(C)C)CC2=O ZINC000587494708 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1cc(-c3nc(C)c(C(=O)OCC)s3)ccc1OCC(C)C)CC2=O ZINC000587494712 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nnc(-c3ccco3)o1)(c1ccc3c(c1)CCC3)CC2=O ZINC000587494743 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nnc(-c3ccco3)o1)(c1ccc3c(c1)CCC3)CC2=O ZINC000587494745 KK Annotated Anodyne CN(C)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1-c1ccc(Br)cc1 ZINC000587494839 KK Annotated Anodyne CN(C)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1-c1ccc(Br)cc1 ZINC000587494843 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c1)CC2=O ZINC000587494868 KK Annotated Bother CCCc1c(O)ccc2c1O[C@@H](c1ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c1)CC2=O ZINC000587494874 KK Annotated Bother CC(C)(C)OC(=O)CCCOc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494891 KK Annotated Anodyne CC(C)(C)OC(=O)CCCOc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587494895 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587494986 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587495000 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O ZINC000587495040 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O ZINC000587495047 KK Annotated Reactive CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495049 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O ZINC000587495051 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O ZINC000587495053 KK Annotated Reactive CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495056 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495061 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495064 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587495076 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587495088 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Cl)cc1)CC2=O ZINC000587495096 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccccc3)nn(C)c1Sc1ccc(Cl)cc1)CC2=O ZINC000587495105 KK Annotated Anodyne O=C1C[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495173 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495181 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587495194 KK Annotated Anodyne O=C1C[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495205 KK Annotated Anodyne O=C1CC(c2ccccc2Br)(c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587495265 KK Annotated Anodyne O=C1C[C@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587495351 KK Annotated Anodyne O=C1C[C@@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587495356 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587495503 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495511 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587495514 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495516 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)CC(=O)c5ccc6c(c5O3)CCCC6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587495518 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)CC(=O)c5ccc6c(c5O3)CCCC6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587495526 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](CSc1nnc(NC(=O)CCC(=O)O)s1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587495537 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](CSc1nnc(NC(=O)CCC(=O)O)s1)(c1ccc(Cl)cc1Cl)CC2=O ZINC000587495542 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)OC)s1)(C(Br)Br)CC2=O ZINC000587495572 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nn(-c3cccc(Br)c3)c(=NC#N)s1)CC2=O ZINC000587495595 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nn(-c3cccc(Br)c3)c(=NC#N)s1)CC2=O ZINC000587495602 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(CSc3nc4ccccc4s3)c1)CC2=O ZINC000587495605 KK Annotated Anodyne CCOC(=O)[C@@H](C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)c1ccccc1 ZINC000587495606 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)c1ccccc1 ZINC000587495609 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(CSc3nc4ccccc4s3)c1)CC2=O ZINC000587495611 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)c1ccccc1 ZINC000587495612 KK Annotated Anodyne CCOC(=O)[C@@H](C[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)c1ccccc1 ZINC000587495613 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(c2nc3ccccc3s2)=COc2c1cc(CC)c(O)c2CN1CCCCC1 ZINC000587495650 KK Annotated Clean CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(Br)cc1O2 ZINC000587495652 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(Br)cc1O2 ZINC000587495654 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(c2nc3ccccc3s2)=COc2c1cc(CC)c(O)c2CN1CCCCC1 ZINC000587495655 KK Annotated Clean COc1ccc(Br)c2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c12 ZINC000587495658 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C(=O)OC(C)(C)C)c12 ZINC000587495663 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495665 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495667 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495710 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587495722 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587495723 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587495724 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)OC)s1)(C(Br)Br)CC2=O ZINC000587495725 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](C)(c1sc(N(C(=O)c3ccccc3Cl)C3CC3)nc1C)CC2=O ZINC000587495756 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1sc(N(C(=O)c3ccccc3Cl)C3CC3)nc1C)CC2=O ZINC000587495757 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587495773 KK Annotated Anodyne O=C1C[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587495817 KK Annotated Anodyne O=C1C[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587495826 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccc(Br)cc1 ZINC000587495846 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1ccc(Br)cc1 ZINC000587495850 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1Br)(c1c(N)sc3c1CCC3)CC2=O ZINC000587495856 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1Br)(c1c(N)sc3c1CCC3)CC2=O ZINC000587495859 KK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587495917 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)Oc2c1ccc1c2CCCC1 ZINC000587495919 KK Annotated Anodyne O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587495931 KK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587495938 KK Annotated Anodyne O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587495948 KK Annotated Reactive O=C1CC(c2ccc(Br)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587495978 KK Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587495984 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587495987 KK Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587495988 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587495991 KK Annotated Anodyne O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587496009 KK Annotated Reactive O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 ZINC000587496014 KK Annotated Reactive O=C1C[C@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496017 KK Annotated Anodyne O=C1C[C@@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)Oc2c1ccc1c2CCCC1 ZINC000587496035 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Br)c2)cc1 ZINC000587496046 KK Annotated Anodyne O=C1C[C@@H](c2coc3c(Br)cc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587496051 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(Br)c2)cc1 ZINC000587496053 KK Annotated Anodyne O=C1C[C@H](c2coc3c(Br)cc(Br)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587496059 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587496079 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587496088 KK Annotated Reactive O=C1C[C@H](c2ccc(Br)cc2OCCCO[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587496100 KK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCCCO[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587496102 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587496104 KK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCCO[C@@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587496105 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587496107 KK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCCO[C@H]2CCCCO2)Oc2c1ccc1c2CCCC1 ZINC000587496108 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587496111 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc(O)c(CCC)c2O1 ZINC000587496113 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587496160 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(CN3C(=O)CS/C3=C/C(=O)OCC)c1)CC2=O ZINC000587496161 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(CN3C(=O)CS/C3=C\C(=O)OCC)c1)CC2=O ZINC000587496163 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(CN3C(=O)CS/C3=C/C(=O)OCC)c1)CC2=O ZINC000587496165 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(CN3C(=O)CS/C3=C\C(=O)OCC)c1)CC2=O ZINC000587496168 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496237 KK Annotated Anodyne CCOC(=O)CC[C@]1(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496239 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496240 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496241 KK Annotated Anodyne O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496361 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496366 KK Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587496402 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587496409 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c2ccccc21 ZINC000587496500 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c2ccccc21 ZINC000587496504 KK Annotated Anodyne O=C1C[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587496509 KK Annotated Anodyne O=C1C[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587496511 KK Annotated Anodyne O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)c(Br)cc21 ZINC000587496575 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)c(Br)cc21 ZINC000587496576 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496583 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496584 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496598 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496604 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587496714 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O ZINC000587496715 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587496722 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@@H](C(C)(C)C)C3)CC2=O ZINC000587496724 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587496726 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(c1c(N)sc3c1CC[C@H](C(C)(C)C)C3)CC2=O ZINC000587496728 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1OC)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587496815 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1OC)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587496816 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1OC)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587496818 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1OC)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587496820 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Br)cc(Br)cc1Br ZINC000587496940 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Br)cc(Br)cc1Br ZINC000587496947 KK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587496948 KK Annotated Anodyne O=C1C[C@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)Oc2c1ccc1c2CCCC1 ZINC000587496953 KK Annotated Anodyne O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496959 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496969 KK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496973 KK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496976 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496979 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587496981 KK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587496991 KK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587496997 KK Annotated Reactive CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCc1ccccc1 ZINC000587497023 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCc1ccccc1 ZINC000587497024 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1O2 ZINC000587497101 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1O2 ZINC000587497105 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1O2 ZINC000587497107 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1O2 ZINC000587497109 KK Annotated Anodyne O=C1C[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587497171 KK Annotated Anodyne O=C1C[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587497173 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497181 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Br)ccc21 ZINC000587497182 KK Annotated Anodyne Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497202 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497207 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587497225 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587497226 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497346 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587497348 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587497350 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O ZINC000587497353 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O ZINC000587497355 KK Annotated Reactive O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497357 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497360 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497362 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497363 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497364 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497365 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587497366 KK Annotated Anodyne COc1cc(Br)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587497387 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587497391 KK Annotated Reactive O=C1C[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)Oc2c1ccc1c2CCCC1 ZINC000587497530 KK Annotated Reactive O=C1C[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)Oc2c1ccc1c2CCCC1 ZINC000587497542 KK Annotated Reactive O=C1CC(C(Br)Br)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587497557 KK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587497588 KK Annotated Reactive C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587497589 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587497590 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587497592 KK Annotated Reactive O=C(O)C[C@@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497605 KK Annotated Reactive O=C(O)C[C@@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497607 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497610 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497615 KK Annotated Reactive O=C1C[C@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587497716 KK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)Oc2c1ccc1c2CCCC1 ZINC000587497719 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587497740 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587497745 KK Annotated Anodyne C[C@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497748 KK Annotated Anodyne C[C@@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587497752 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497758 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587497764 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497766 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587497768 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587497773 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@@H](C(=O)[C@H]3O[C@H]32)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587497781 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587497789 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@@H]1[C@H](C(=O)[C@H]3O[C@H]32)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587497794 KK Annotated Anodyne O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587497849 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587497858 KK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cc(Cl)c3[nH]c4c([nH]c3c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587497890 KK Annotated Clean O=C1CC2(Oc3c1ccc1c3CCCC1)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587497906 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cc(Cl)c3[nH]c4c([nH]c3c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587497913 KK Annotated Clean CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587497953 KK Annotated Reactive O=C1C[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587497963 KK Annotated Anodyne O=C1C[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587497967 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587497970 KK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587498013 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587498017 KK Annotated Reactive O=C1C[C@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587498019 KK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)Oc2c1ccc1c2CCCC1 ZINC000587498052 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Cl)cc2O1 ZINC000587498173 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(Cl)cc2O1 ZINC000587498176 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587498200 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@H](C)C3)CC2=O ZINC000587498202 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587498204 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1c(N)sc3c1CC[C@@H](C)C3)CC2=O ZINC000587498207 KK Annotated Anodyne Nc1c(Br)cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587498237 KK Annotated Reactive Nc1c(Br)cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587498245 KK Annotated Reactive CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498327 KK Annotated Reactive CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498328 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498329 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498330 KK Annotated Reactive COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587498357 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587498358 KK Annotated Anodyne O=C1C[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498372 KK Annotated Reactive O=C1C[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498375 KK Annotated Reactive O=C1C[C@](c2ccccc2)([C@@H](Br)[C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498377 KK Annotated Reactive O=C1C[C@](c2ccccc2)([C@@H](Br)[C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587498379 KK Annotated Reactive O=C1C[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587498525 KK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)Oc2c1ccc1c2CCCC1 ZINC000587498531 KK Annotated Anodyne O=C1C[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)Oc2c1ccc1c2CCCC1 ZINC000587498536 KK Annotated Anodyne O=C1C[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)Oc2c1ccc1c2CCCC1 ZINC000587498543 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587498550 KK Annotated Mild O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498559 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498565 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587498566 KK Annotated Mild CCCc1c(O)ccc2c1O[C@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)CC2=O ZINC000587498568 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]1C(=O)OC(c1ccccc1)c1ccccc1)CC2=O ZINC000587498575 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1)CC2=O ZINC000587498578 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@]1(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]1C(=O)OC(c1ccccc1)c1ccccc1)CC2=O ZINC000587498582 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587498608 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587498612 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587498629 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O ZINC000587498636 KK Annotated Anodyne O=C(CC(=O)OC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccc(Cl)cc1 ZINC000587498699 KK Annotated Anodyne O=C(CC(=O)OC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)Nc1ccc(Cl)cc1 ZINC000587498702 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587498769 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587498770 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)cc2)([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587498771 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)cc2)([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587498772 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nn2C)cc1 ZINC000587498813 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nn2C)cc1 ZINC000587498814 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498857 KK Annotated Reactive CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498860 KK Annotated Reactive C[C@]1([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498894 KK Annotated Mild C[C@@]1([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498895 KK Annotated Mild C[C@@]1([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498896 KK Annotated Mild C[C@]1([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498898 KK Annotated Mild O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498940 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587498941 KK Annotated Reactive O=C1C[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587498942 KK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)Oc2c1ccc1c2CCCC1 ZINC000587498943 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499045 KK Annotated Anodyne Nc1c(C(=O)O)cc(Br)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499047 KK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587499111 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587499113 KK Annotated Reactive CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1OCc1ccccc1 ZINC000587499171 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cc1OCc1ccccc1 ZINC000587499174 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587499183 KK Annotated Anodyne O=C1C[C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)Oc2c1ccc1c2CCCC1 ZINC000587499191 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587499395 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC ZINC000587499404 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587499417 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587499426 KK Annotated Anodyne O=C(Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)OCc1ccccc1 ZINC000587499430 KK Annotated Reactive CC(=O)C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587499431 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587499433 KK Annotated Anodyne O=C(Nc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)OCc1ccccc1 ZINC000587499437 KK Annotated Reactive O=C1C[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)Oc2c1ccc1c2CCCC1 ZINC000587499488 KK Annotated Anodyne O=C1C[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)Oc2c1ccc1c2CCCC1 ZINC000587499494 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1OC ZINC000587499524 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1OC ZINC000587499525 KK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587499552 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587499553 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499560 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587499561 KK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587499593 KK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587499598 KK Annotated Reactive CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(CC(=O)c3ccc(O)c(CCC)c3O1)c1ccccc1-2 ZINC000587499611 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(CC(=O)c3ccc(O)c(CCC)c3O1)c1ccccc1-2 ZINC000587499621 KK Annotated Mild O=C1C[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)Oc2c1ccc1c2CCCC1 ZINC000587499639 KK Annotated Anodyne O=C1C[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)Oc2c1ccc1c2CCCC1 ZINC000587499642 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499704 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499709 KK Annotated Anodyne O=C1C[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587499718 KK Annotated Reactive O=C1C[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 ZINC000587499719 KK Annotated Reactive CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn3c(C(=O)OCC)c(SCc4ccccc4)sc13)CC2=O ZINC000587499755 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(C)nn3c(C(=O)OCC)c(SCc4ccccc4)sc13)CC2=O ZINC000587499772 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587499800 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587499802 KK Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499816 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587499824 KK Annotated Mild O=C1CC(c2ccc(Br)cn2)(c2ccc(Br)cn2)Oc2c1ccc1c2CCCC1 ZINC000587499836 KK Annotated Anodyne Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587499871 KK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587499892 KK Annotated Reactive CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499918 KK Annotated Anodyne CC(C)c1ccc([C@@H](C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499920 KK Annotated Anodyne CC(C)c1ccc([C@@H](C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499921 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)cc1 ZINC000587499923 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587500014 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 ZINC000587500018 KK Annotated Reactive NC(=O)c1nnn(Cc2cc(Cl)c([C@]3(c4ccc(Cl)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)c1N ZINC000587500028 KK Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c([C@@]3(c4ccc(Cl)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)c(Cl)c2)c1N ZINC000587500035 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587500116 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587500132 KK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587500160 KK Annotated Reactive O=C1C[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587500161 KK Annotated Reactive Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587500365 KK Annotated Anodyne Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 ZINC000587500379 KK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587500384 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500386 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587500387 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](O)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500397 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500400 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500402 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587500423 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587500428 KK Annotated Mild Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500437 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500442 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587500447 KK Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587500448 KK Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)C(Cl)(Cl)Cl ZINC000587500452 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587500454 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2cc(Cl)c2[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587500504 KK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2cc(Cl)c2[nH]c3c([nH]c12)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587500507 KK Annotated Clean O=C1C[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587500566 KK Annotated Reactive O=C1C[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587500569 KK Annotated Reactive CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500656 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500659 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500733 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587500736 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587500739 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587500742 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587500781 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587500782 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)c1ccccc1C3=O ZINC000587500814 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)c1ccccc1C3=O ZINC000587500819 KK Annotated Anodyne N#Cc1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(Cc2ccccc2)c1=O ZINC000587500838 KK Annotated Mild N#Cc1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(Cc2ccccc2)c1=O ZINC000587500842 KK Annotated Mild CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500845 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500847 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500850 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500853 KK Annotated Reactive COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500915 KK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587500940 KK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(I)cc1 ZINC000587500953 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(I)cc1 ZINC000587500992 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501003 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501011 KK Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501041 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1O2 ZINC000587501046 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Br)ccc1O2 ZINC000587501049 KK Annotated Anodyne C=CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCc1ccc(I)cc1 ZINC000587501050 KK Annotated Mild C=CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OCc1ccc(I)cc1 ZINC000587501059 KK Annotated Mild CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501063 KK Annotated Anodyne CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501065 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587501069 KK Annotated Anodyne O=C1C[C@@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501075 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)cc(Br)c2OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501077 KK Annotated Anodyne O=C1C[C@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501078 KK Annotated Anodyne O=C1C[C@H](c2cc(Br)cc(Br)c2OCc2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501080 KK Annotated Anodyne COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000587501084 KK Annotated Anodyne COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O ZINC000587501090 KK Annotated Anodyne O=C1C[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)Oc2c1ccc1c2CCCC1 ZINC000587501092 KK Annotated Reactive O=C1C[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)Oc2c1ccc1c2CCCC1 ZINC000587501097 KK Annotated Reactive COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501103 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501125 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501242 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587501261 KK Annotated Mild CC(C)(C)c1nc2c(Br)nc(I)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587501267 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2o1 ZINC000587501271 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1cccc(Br)c1 ZINC000587501294 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCOc1cccc(Br)c1 ZINC000587501299 KK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1c(Cl)ccc(Cl)c1C(=O)c1c(Cl)ccc(Cl)c12 ZINC000587501306 KK Annotated Anodyne O=C1C[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)Oc2c1ccc1c2CCCC1 ZINC000587501382 KK Annotated Mild O=C1C[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)Oc2c1ccc1c2CCCC1 ZINC000587501384 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Cl)ccc1O2 ZINC000587501442 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n13)CC2=O ZINC000587501444 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(Cl)ccc1O2 ZINC000587501455 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@H](c1c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n13)CC2=O ZINC000587501459 KK Annotated Anodyne O=C1C[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501501 KK Annotated Bother O=C1C[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587501506 KK Annotated Bother CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501512 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501523 KK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501529 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501549 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587501552 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501559 KK Annotated Anodyne O=C1C[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587501562 KK Annotated Anodyne O=C1C[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)Oc2c1ccc1c2CCCC1 ZINC000587501574 KK Annotated Anodyne O=C1C[C@](CBr)(c2c(Br)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501607 KK Annotated Reactive O=C1C[C@@](CBr)(c2c(Br)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 ZINC000587501617 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587501646 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587501652 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501680 KK Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501699 KK Annotated Anodyne C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501702 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587501704 KK Annotated Anodyne O=C1C[C@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587501706 KK Annotated Anodyne O=C1C[C@@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587501714 KK Annotated Anodyne O=C1C[C@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501722 KK Annotated Anodyne O=C1C[C@@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587501725 KK Annotated Anodyne O=C1C[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501766 KK Annotated Anodyne O=C1C[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587501767 KK Annotated Anodyne O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501772 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501773 KK Annotated Reactive O=C1C[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501850 KK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)Oc2c1ccc1c2CCCC1 ZINC000587501857 KK Annotated Anodyne Cc1cccn2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(I)cc3)nc12 ZINC000587501975 KK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587501979 KK Annotated Reactive Cc1cccn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(-c3ccc(I)cc3)nc12 ZINC000587501981 KK Annotated Anodyne O=C1C[C@@](c2ccc(Br)cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587501982 KK Annotated Reactive CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OCc1ccc(I)cc1 ZINC000587501990 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OCc1ccc(I)cc1 ZINC000587501996 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501997 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587501999 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc3c(c1)sc(=O)n3CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1)CC2=O ZINC000587502018 KK Annotated Anodyne CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc3c(c1)sc(=O)n3CCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1)CC2=O ZINC000587502024 KK Annotated Anodyne N#Cc1cc([C@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CCCCC2)c1=O ZINC000587502051 KK Annotated Mild O=C1C[C@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587502059 KK Annotated Bother O=C1C[C@@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587502061 KK Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccc(Br)cc12 ZINC000587502062 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(I)=COc1ccc(Br)cc12 ZINC000587502065 KK Annotated Anodyne N#Cc1cc([C@@]2(c3cc(F)ccc3O)CC(=O)c3ccc4c(c3O2)CCCC4)cn(C2CCCCC2)c1=O ZINC000587502066 KK Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587502068 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587502081 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587502183 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 ZINC000587502197 KK Annotated Anodyne O=C1C[C@](CBr)(c2c(F)ccc(Br)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502285 KK Annotated Reactive O=C1C[C@@](CBr)(c2c(F)ccc(Br)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502290 KK Annotated Reactive O=C1C[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587502298 KK Annotated Anodyne O=C1C[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)Oc2c1ccc1c2CCCC1 ZINC000587502303 KK Annotated Anodyne Nc1c([C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 ZINC000587502376 KK Annotated Bother Nc1c([C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)oc2cc([N+](=O)[O-])ccc12 ZINC000587502390 KK Annotated Bother CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)s1 ZINC000587502479 KK Annotated Anodyne O=C1C[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502483 KK Annotated Anodyne O=C1C[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587502489 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)s1 ZINC000587502490 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3Br)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587502519 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3Br)CC(=O)c3ccc4c(c3O1)CCCC4)CCC2 ZINC000587502525 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502544 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502550 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502554 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502558 KK Annotated Anodyne O=C1C[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587502584 KK Annotated Anodyne O=C1C[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)Oc2c1ccc1c2CCCC1 ZINC000587502591 KK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587502619 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587502629 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587502646 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587502663 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)c(Cl)c2)([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587502669 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@](Cc2ccc(Cl)c(Cl)c2)([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587502675 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587502710 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587502721 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502725 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502735 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587502769 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587502771 KK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502818 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502821 KK Annotated Bother O=C1C[C@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502834 KK Annotated Anodyne O=C1C[C@@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587502838 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccc(Cl)cc1Cl ZINC000587502847 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccc(Cl)cc1Cl ZINC000587502854 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502902 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502907 KK Annotated Anodyne CC(C)[C@]1([C@@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502908 KK Annotated Anodyne CC(C)[C@]1([C@@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587502911 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3ccccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587502920 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@@]2(c3ccccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587502923 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(c3ccccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587502925 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3ccccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587502927 KK Annotated Anodyne CC(C)(C)C(=O)Nc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)nc1Cl ZINC000587502934 KK Annotated Anodyne CC(C)(C)C(=O)Nc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)nc1Cl ZINC000587502935 KK Annotated Anodyne O=C1C[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587503041 KK Annotated Anodyne O=C1C[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 ZINC000587503045 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1I ZINC000587503069 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1I ZINC000587503074 KK Annotated Clean CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587503173 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587503176 KK Annotated Anodyne O=C1C[C@@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 ZINC000587503275 KK Annotated Anodyne O=C1C[C@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)Oc2c1ccc1c2CCCC1 ZINC000587503285 KK Annotated Anodyne CC1(C)C([C@]2(c3cn(CCCCCF)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587503296 KK Annotated Anodyne CC1(C)C([C@@]2(c3cn(CCCCCF)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587503310 KK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)Oc2c1ccc1c2CCCC1 ZINC000587503329 KK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)Oc2c1ccc1c2CCCC1 ZINC000587503348 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503379 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 ZINC000587503385 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 ZINC000587503393 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587503402 KK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587503488 KK Annotated Anodyne O=C1C[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587503497 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@]21C ZINC000587503521 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@]21C ZINC000587503526 KK Annotated Mild O=C1C[C@H](c2cccn2-c2ccc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587503564 KK Annotated Anodyne O=C1C[C@@H](c2cccn2-c2ccc(Br)cc2Br)Oc2c1ccc1c2CCCC1 ZINC000587503570 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587503615 KK Annotated Anodyne Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587503659 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587503664 KK Annotated Reactive COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c(I)c1C ZINC000587503707 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C)c(I)c1C ZINC000587503712 KK Annotated Anodyne O=C1C[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503772 KK Annotated Reactive O=C1C[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587503780 KK Annotated Reactive Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccccc1C(F)(F)F ZINC000587503784 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1ccccc1C(F)(F)F ZINC000587503794 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3)c1ccccc1 ZINC000587503808 KK Annotated Anodyne CCN(C(=O)[C@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3)c1ccccc1 ZINC000587503811 KK Annotated Anodyne CCN(C(=O)[C@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3)c1ccccc1 ZINC000587503816 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3)c1ccccc1 ZINC000587503820 KK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587503872 KK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587503873 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@@H](c1ccccc1F)[C@@]1(C3CC3)CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587503939 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@@H](c1ccccc1F)[C@]1(C3CC3)CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587503944 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587503945 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)CC(=O)c3ccc4c(c3O1)CCCC4)C2 ZINC000587503946 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587503991 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587504001 KK Annotated Anodyne C[C@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504012 KK Annotated Mild Cn1cc([C@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587504014 KK Annotated Reactive C[C@@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504016 KK Annotated Mild Cn1cc([C@@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587504022 KK Annotated Reactive CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504099 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504100 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@@H](c1ccccc1)[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504101 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504102 KK Annotated Anodyne O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504128 KK Annotated Reactive O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504129 KK Annotated Reactive CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504132 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587504133 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504136 KK Annotated Anodyne O=C1C[C@@H](c2cc(I)c(F)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587504157 KK Annotated Anodyne O=C1C[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504158 KK Annotated Anodyne O=C1C[C@H](c2cc(I)c(F)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587504159 KK Annotated Anodyne O=C1C[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504169 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1Br ZINC000587504183 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1Br ZINC000587504185 KK Annotated Reactive COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Br)cc1Cl ZINC000587504203 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Br)cc1Cl ZINC000587504211 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587504283 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587504290 KK Annotated Anodyne O=C1C[C@](CBr)(c2c(Cl)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504395 KK Annotated Reactive O=C1C[C@@](CBr)(c2c(Cl)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 ZINC000587504396 KK Annotated Reactive COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587504409 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)c1 ZINC000587504416 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587504420 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)c1 ZINC000587504428 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587504492 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 ZINC000587504505 KK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(I)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587504516 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504519 KK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(I)cc3)nc3ncccn23)Oc2c1ccc1c2CCCC1 ZINC000587504520 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587504522 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587504555 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587504573 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587504575 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587504576 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587504577 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587504584 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCC(=O)O)cc2O1 ZINC000587504624 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCC(=O)O)cc2O1 ZINC000587504633 KK Annotated Anodyne O=C1C(=O)[C@@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504636 KK Annotated Clean O=C1C(=O)[C@@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504639 KK Annotated Clean O=C1C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504642 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504645 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504648 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504654 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504657 KK Annotated Clean O=C1C(=O)[C@@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587504663 KK Annotated Clean O=C1C[C@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504792 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587504793 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000587504802 KK Annotated Mild CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000587504808 KK Annotated Mild CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1cccc(F)c1 ZINC000587504809 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)nn1C ZINC000587504824 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1cccc(F)c1 ZINC000587504826 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587504830 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(I)cc(C(F)(F)F)c12 ZINC000587504834 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)nn1C ZINC000587504848 KK Annotated Anodyne O=C1C[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504887 KK Annotated Reactive O=C1C[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 ZINC000587504889 KK Annotated Reactive COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587504922 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587504945 KK Annotated Mild O=C1C[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504958 KK Annotated Anodyne O=C1C[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587504959 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505038 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505039 KK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505052 KK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587505053 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587505058 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587505059 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505104 KK Annotated Anodyne CCOC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505105 KK Annotated Anodyne CCOC(=O)[C@@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505106 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505107 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505124 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505125 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587505130 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587505132 KK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587505202 KK Annotated Anodyne CCCCCCCCCCN(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587505224 KK Annotated Mild COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587505233 KK Annotated Anodyne CCCCCCCCCCN(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587505248 KK Annotated Mild COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587505255 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587505342 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(c4ccc(F)cc4)CC3)nc12 ZINC000587505347 KK Annotated Anodyne O=C1C[C@@H](c2cc(I)cc(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587505351 KK Annotated Anodyne O=C1C[C@H](c2cc(I)cc(I)c2O)Oc2c1ccc1c2CCCC1 ZINC000587505358 KK Annotated Anodyne CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505411 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505419 KK Annotated Mild COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587505435 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587505441 KK Annotated Anodyne O=C1C[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505464 KK Annotated Reactive O=C1C[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505465 KK Annotated Reactive O=C1C[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505466 KK Annotated Reactive O=C1C[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587505467 KK Annotated Reactive COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587505474 KK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587505475 KK Annotated Mild COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587505520 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587505529 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1Br ZINC000587505560 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1ccc(Cl)cc1Br ZINC000587505566 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505647 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505651 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccc(F)cc1 ZINC000587505665 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505668 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccc(F)cc1 ZINC000587505673 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505688 KK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Br)cc2I)Oc2c1ccc1c2CCCC1 ZINC000587505703 KK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Br)cc2I)Oc2c1ccc1c2CCCC1 ZINC000587505714 KK Annotated Reactive O=C1C[C@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)Oc2c1ccc1c2CCCC1 ZINC000587505718 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505720 KK Annotated Anodyne O=C1C[C@@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)Oc2c1ccc1c2CCCC1 ZINC000587505726 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505732 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCc1cccc(F)c1 ZINC000587505742 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Br)c1OCc1cccc(F)c1 ZINC000587505751 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587505796 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587505800 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505831 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587505837 KK Annotated Bother COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587505844 KK Annotated Bother Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505846 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505849 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@@]1(/C=C\N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587505854 KK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587505874 KK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587505886 KK Annotated Reactive Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587505904 KK Annotated Anodyne Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587505911 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000587506025 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000587506026 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587506079 KK Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587506080 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587506081 KK Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587506082 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587506108 KK Annotated Bother CN1CCCC[C@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587506109 KK Annotated Bother CN1CCCC[C@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587506110 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587506111 KK Annotated Bother CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3C1=N2 ZINC000587506157 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3C1=N2 ZINC000587506160 KK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587506247 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587506268 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587506273 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587506281 KK Annotated Anodyne O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Oc1c(F)c(F)c(F)c(F)c1F ZINC000587506335 KK Annotated Unstable O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)Oc1c(F)c(F)c(F)c(F)c1F ZINC000587506344 KK Annotated Unstable Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587506436 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587506443 KK Annotated Anodyne O=C1C[C@@H](c2ccc(Br)cc2OCCCCC2OCCO2)Oc2c1ccc1c2CCCC1 ZINC000587506450 KK Annotated Anodyne O=C1C[C@H](c2ccc(Br)cc2OCCCCC2OCCO2)Oc2c1ccc1c2CCCC1 ZINC000587506454 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506546 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587506569 KK Annotated Anodyne O=C1C[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587506570 KK Annotated Reactive O=C1C[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)Oc2c1ccc1c2CCCC1 ZINC000587506582 KK Annotated Reactive CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587506589 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587506606 KK Annotated Anodyne CC(C)(C)[C@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587506611 KK Annotated Anodyne CC(C)(C)[C@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587506617 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587506671 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587506676 KK Annotated Mild CCCCCn1cc([C@]2(Cc3ccccc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587506681 KK Annotated Anodyne O=C1C[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506685 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587506690 KK Annotated Mild O=C1C[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587506711 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc([C@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc3F)cccc2c1C=O ZINC000587506859 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc([C@@H]4CC(=O)c5ccc6c(c5O4)CCCC6)cc3F)cccc2c1C=O ZINC000587506860 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507014 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507018 KK Annotated Anodyne O=C1C[C@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587507048 KK Annotated Anodyne O=C1C[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)Oc2c1ccc1c2CCCC1 ZINC000587507049 KK Annotated Anodyne O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507117 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507123 KK Annotated Mild CCCCCn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccccc1F ZINC000587507141 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccccc1F ZINC000587507143 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c(OC)c1 ZINC000587507173 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])c(OC)c1 ZINC000587507187 KK Annotated Bother Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587507276 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCN(c4ccccc4F)CC3)nc12 ZINC000587507279 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1SCc1ccccc1Cl ZINC000587507281 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1SCc1ccccc1Cl ZINC000587507290 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587507390 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507416 KK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587507417 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587507418 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507419 KK Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587507424 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@@]1(c2cnoc2C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507432 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@]1(c2cnoc2C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507443 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587507513 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587507525 KK Annotated Reactive O=C1C[C@@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507540 KK Annotated Bother O=C1C[C@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587507552 KK Annotated Bother Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507583 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507591 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587507611 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587507614 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507620 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507624 KK Annotated Anodyne O=C1C[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507668 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587507676 KK Annotated Anodyne O=C1C[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)Oc2c1ccc1c2CCCC1 ZINC000587507681 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587507690 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587507696 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587507697 KK Annotated Anodyne COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507759 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507773 KK Annotated Anodyne O=C1C[C@@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507777 KK Annotated Anodyne O=C1C[C@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587507781 KK Annotated Anodyne C=CCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587507799 KK Annotated Mild C=CCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587507802 KK Annotated Mild Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507879 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587507880 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508018 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508020 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508022 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508024 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508072 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508076 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587508153 KK Annotated Mild COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587508155 KK Annotated Mild O=C1C[C@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508200 KK Annotated Unstable O=C1C[C@@](COS(=O)(=O)C(F)(F)F)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508202 KK Annotated Unstable O=C1C[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)Oc2c1ccc1c2CCCC1 ZINC000587508226 KK Annotated Reactive O=C1C[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)Oc2c1ccc1c2CCCC1 ZINC000587508229 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(CC(=O)c6ccc7c(c6O4)CCCC7)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587508248 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(CC(=O)c6ccc7c(c6O4)CCCC7)[C@@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587508260 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@@]4(CC(=O)c6ccc7c(c6O4)CCCC7)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587508285 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@@]4(CC(=O)c6ccc7c(c6O4)CCCC7)[C@@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587508297 KK Annotated Mild COCCOCOc1cc2c(cc1F)C1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587508340 KK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(I)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587508364 KK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(I)cc3)nc3ccccn23)Oc2c1ccc1c2CCCC1 ZINC000587508368 KK Annotated Anodyne O=C1C[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508372 KK Annotated Anodyne O=C1C[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508389 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587508395 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508406 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508408 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508410 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F ZINC000587508412 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508419 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508423 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587508430 KK Annotated Anodyne O=C1C[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508597 KK Annotated Anodyne O=C1C[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 ZINC000587508610 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508677 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508686 KK Annotated Mild CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508691 KK Annotated Anodyne O=C1C[C@H](c2cc(I)c(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508697 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587508698 KK Annotated Mild O=C1C[C@@H](c2cc(I)c(Br)cc2F)Oc2c1ccc1c2CCCC1 ZINC000587508704 KK Annotated Anodyne O=C1C[C@H](c2ccc(COc3ccc(I)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587508706 KK Annotated Anodyne O=C1C[C@@H](c2ccc(COc3ccc(I)cc3)o2)Oc2c1ccc1c2CCCC1 ZINC000587508709 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc(OC)c1 ZINC000587508726 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc(OC)c1 ZINC000587508731 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508810 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587508812 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587508815 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508816 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587508817 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1C ZINC000587508819 KK Annotated Anodyne Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587508820 KK Annotated Bother Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587508822 KK Annotated Bother O=C(NN[C@@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508873 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508875 KK Annotated Reactive O=C(NN[C@@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508877 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 ZINC000587508879 KK Annotated Reactive Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587508929 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c([N+](=O)[O-])c1 ZINC000587508930 KK Annotated Mild Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587508960 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587508961 KK Annotated Reactive COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587508962 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587508963 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587509016 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587509017 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1NC(=O)C(F)(F)F ZINC000587509075 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1NC(=O)C(F)(F)F ZINC000587509082 KK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)Oc2c1ccc1c2CCCC1 ZINC000587509107 KK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)Oc2c1ccc1c2CCCC1 ZINC000587509115 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587509135 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)c1F ZINC000587509137 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1I ZINC000587509147 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1I ZINC000587509150 KK Annotated Anodyne O=C1C[C@@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587509196 KK Annotated Anodyne O=C1C[C@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)Oc2c1ccc1c2CCCC1 ZINC000587509199 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1cccc(C(F)(F)F)c1 ZINC000587509242 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Oc1cccc(C(F)(F)F)c1 ZINC000587509246 KK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587509276 KK Annotated Anodyne O=C1C[C@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587509316 KK Annotated Anodyne O=C1C[C@@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587509331 KK Annotated Anodyne COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509353 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509364 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509365 KK Annotated Mild COCCOC(=O)[C@@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509368 KK Annotated Mild CCOc1ccc(NC(=O)COc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587509433 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)cc1 ZINC000587509436 KK Annotated Anodyne CN(C)c1ccc([C@]2(Cc3nc4ccccc4c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509449 KK Annotated Bother CN(C)c1ccc([C@@]2(Cc3nc4ccccc4c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587509454 KK Annotated Bother Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Br)cc1 ZINC000587509488 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Br)cc1 ZINC000587509491 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OCc1ccccc1C#N ZINC000587509492 KK Annotated Mild COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(I)c1OCc1ccccc1C#N ZINC000587509508 KK Annotated Mild CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509521 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509528 KK Annotated Anodyne O=C1C[C@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587509660 KK Annotated Anodyne O=C1C[C@@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587509665 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587509693 KK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587509700 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@]4(c5ccc(Oc6ccc(N)cc6)cc5)CC(=O)c5ccc6c(c5O4)CCCC6)cc3)cc2)cc1 ZINC000587509739 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@@]4(c5ccc(Oc6ccc(N)cc6)cc5)CC(=O)c5ccc6c(c5O4)CCCC6)cc3)cc2)cc1 ZINC000587509750 KK Annotated Clean CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509764 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509768 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509814 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(OC(F)F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587509816 KK Annotated Anodyne O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587509835 KK Annotated Anodyne O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587509841 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587509955 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587509956 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587509969 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587509970 KK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510059 KK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510061 KK Annotated Reactive O=C1C[C@@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510073 KK Annotated Anodyne O=C1C[C@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587510076 KK Annotated Anodyne C[C@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510077 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510080 KK Annotated Mild C[C@@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510083 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510086 KK Annotated Mild COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510140 KK Annotated Anodyne COc1ccccc1N[C@@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510146 KK Annotated Anodyne COc1ccccc1N[C@@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510148 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510151 KK Annotated Anodyne O=C(Nc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1)OCc1ccccc1 ZINC000587510211 KK Annotated Anodyne O=C1C[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 ZINC000587510244 KK Annotated Bother O=C1C[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2c1ccc1c2CCCC1 ZINC000587510247 KK Annotated Bother O=C1C[C@@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)Oc2c1ccc1c2CCCC1 ZINC000587510272 KK Annotated Anodyne O=C1C[C@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)Oc2c1ccc1c2CCCC1 ZINC000587510276 KK Annotated Anodyne O=C(Nc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1)OCc1ccccc1 ZINC000587510287 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587510405 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587510413 KK Annotated Anodyne COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587510634 KK Annotated Mild COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587510637 KK Annotated Mild O=C1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 ZINC000587510709 KK Annotated Mild COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510748 KK Annotated Anodyne COC(=O)N[C@@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510749 KK Annotated Anodyne COC(=O)N[C@@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510750 KK Annotated Anodyne COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510751 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1cccc(C(F)(F)F)c1 ZINC000587510825 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1cccc(C(F)(F)F)c1 ZINC000587510828 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(F)ccc1O2 ZINC000587510864 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(F)ccc1O2 ZINC000587510865 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510878 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587510879 KK Annotated Anodyne O=C1C[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510901 KK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 ZINC000587510902 KK Annotated Reactive O=C1C[C@@H](c2cc(I)c(O)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587510922 KK Annotated Anodyne O=C1C[C@H](c2cc(I)c(O)c(I)c2)Oc2c1ccc1c2CCCC1 ZINC000587510923 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587511013 KK Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587511021 KK Annotated Clean O=C(N[C@@H](Cc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587511026 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511032 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587511035 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511037 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cccc([N+](=O)[O-])c1O2 ZINC000587511068 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cccc([N+](=O)[O-])c1O2 ZINC000587511073 KK Annotated Bother CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511124 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511127 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587511131 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587511135 KK Annotated Anodyne COC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587511136 KK Annotated Mild O=C(N[C@@H](Cc1ccc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587511137 KK Annotated Anodyne COC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587511138 KK Annotated Mild O=C(N[C@@H](Cc1ccc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587511139 KK Annotated Anodyne O=C1C[C@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587511149 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587511154 KK Annotated Mild O=C1C[C@@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587511157 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2[N+](=O)[O-])cc1 ZINC000587511160 KK Annotated Mild CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511163 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511174 KK Annotated Clean CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587511252 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587511253 KK Annotated Bother CC(C)(C)OC(=O)NC1(c2ccc([C@]3(Cc4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CCC1 ZINC000587511278 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@@]3(Cc4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CCC1 ZINC000587511279 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587511311 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587511315 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511442 KK Annotated Anodyne C[C@@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511449 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587511473 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587511481 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511486 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587511490 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511533 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511535 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511592 KK Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511596 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511635 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587511647 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1C ZINC000587511710 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1C ZINC000587511723 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511868 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 ZINC000587511874 KK Annotated Bother CCO[C@H](CN1CCN(C[C@@H](C)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1)c1ccccc1 ZINC000587511880 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1)c1ccccc1 ZINC000587511881 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@@H](C)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1)c1ccccc1 ZINC000587511882 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)CC1)c1ccccc1 ZINC000587511883 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCN(c4ccccc4)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587511904 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCN(c4ccccc4)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587511905 KK Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587511906 KK Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587511907 KK Annotated Anodyne COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587511908 KK Annotated Anodyne COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587511909 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512052 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512068 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587512140 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587512145 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc([N+](=O)[O-])ccc1O2 ZINC000587512198 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc([N+](=O)[O-])ccc1O2 ZINC000587512199 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(CC(=O)c2ccc3c(c2O1)CCCC3)c1cc(OCCCN)ccc1-4 ZINC000587512208 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(CC(=O)c2ccc3c(c2O1)CCCC3)c1cc(OCCCN)ccc1-4 ZINC000587512211 KK Annotated Bother COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587512281 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587512287 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587512289 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587512294 KK Annotated Anodyne Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512374 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587512387 KK Annotated Bother O=C1C[C@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587512531 KK Annotated Bother O=C1C[C@@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587512540 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C(=O)O)ccc1O2 ZINC000587512548 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1cc(C(=O)O)ccc1O2 ZINC000587512549 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587512585 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587512586 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512600 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512601 KK Annotated Anodyne C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512612 KK Annotated Anodyne C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512613 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587512830 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587512840 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587512866 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587512875 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@@]3(CNc4c(O)ccc(C(=O)O)c4O)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587512879 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@@]3(CNc4c(O)ccc(C(=O)O)c4O)CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587512884 KK Annotated Mild CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512914 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512915 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512916 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587512919 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(CCOc2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587512930 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCOc2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 ZINC000587512932 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512958 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512959 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512960 KK Annotated Bother C[C@]1(C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587512961 KK Annotated Bother COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587513174 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43CC(=O)c4ccc5c(c4O3)CCCC5)o2)cc1 ZINC000587513183 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587513319 KK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587513328 KK Annotated Clean Cc1cc2c(cc1C)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587513406 KK Annotated Anodyne Cn1cc([C@H](C[C@]2(c3ccc(C4CCCCC4)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)c2ccccc21 ZINC000587513543 KK Annotated Anodyne Cn1cc([C@@H](C[C@]2(c3ccc(C4CCCCC4)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)c2ccccc21 ZINC000587513544 KK Annotated Anodyne Cn1cc([C@H](C[C@@]2(c3ccc(C4CCCCC4)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)c2ccccc21 ZINC000587513545 KK Annotated Anodyne Cn1cc([C@@H](C[C@@]2(c3ccc(C4CCCCC4)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)O)c2ccccc21 ZINC000587513546 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)CC(=O)c4ccc5c(c4O3)CCCC5)c2cc1C ZINC000587513588 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)CC(=O)c4ccc5c(c4O3)CCCC5)c2cc1C ZINC000587513593 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587513598 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587513600 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587513602 KK Annotated Anodyne O=C(N[C@@H](CC(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587513669 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587513716 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)CC1(CCN(C(=O)OC(C)(C)C)CC1)O2 ZINC000587513735 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513738 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587513745 KK Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587513749 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587513757 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587513761 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587513768 KK Annotated Anodyne O=C(NC1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587513855 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587513863 KK Annotated Bother CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587513867 KK Annotated Bother O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587513890 KK Annotated Anodyne O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587513902 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587513950 KK Annotated Mild Cc1cc([C@]2(CC#N)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587513951 KK Annotated Mild Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)c2ccccc21 ZINC000587514095 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)c2ccccc21 ZINC000587514102 KK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587514189 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587514216 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587514220 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(C)c(C)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587514224 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587514228 KK Annotated Anodyne O=C(NC1(C(=O)O)CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587514317 KK Annotated Anodyne COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514430 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587514431 KK Annotated Mild O=C1C[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)Oc2c1ccc1c2CCCC1 ZINC000587514475 KK Annotated Anodyne O=C1C[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)Oc2c1ccc1c2CCCC1 ZINC000587514476 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCc3ccccc3)cc21 ZINC000587514520 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(OCc3ccccc3)cc21 ZINC000587514521 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514524 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514525 KK Annotated Bother O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3[C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587514540 KK Annotated Anodyne O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3[C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587514542 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514689 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514696 KK Annotated Anodyne C=CN1CC[C@@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514699 KK Annotated Anodyne C=CN1CC[C@@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587514702 KK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514891 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587514894 KK Annotated Mild O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587514947 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587514948 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587514949 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587514950 KK Annotated Anodyne Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514993 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587514994 KK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587514995 KK Annotated Clean O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587514996 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515009 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515010 KK Annotated Clean CCCCCn1cc([C@]2(Cc3ccccc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515045 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587515046 KK Annotated Anodyne COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)CC2=O)cc1 ZINC000587515202 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)CC2=O)cc1 ZINC000587515207 KK Annotated Mild Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515290 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587515291 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587515315 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587515316 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587515317 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587515318 KK Annotated Anodyne O=C1C[C@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587515375 KK Annotated Anodyne O=C1C[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)Oc2c1ccc1c2CCCC1 ZINC000587515376 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587515419 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC ZINC000587515420 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)CC(=O)c4ccc5c(c4O3)CCCC5)c2cc1OC ZINC000587515526 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)CC(=O)c4ccc5c(c4O3)CCCC5)c2cc1OC ZINC000587515533 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515548 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587515549 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(OCc3ccccc3)ccc21 ZINC000587515685 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(OCc3ccccc3)ccc21 ZINC000587515686 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587515824 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587515825 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587515826 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587515827 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587515883 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587515884 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587515885 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)ccc1N1CCCC1 ZINC000587515886 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)[C@@]45CC(=O)c4ccc6c(c4O5)CCCC6)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000587515923 KK Annotated Anodyne COc1ccc(C(Nc2nc(OCc3ccccc3)c3ncn([C@H]4C[C@H](OCc5ccccc5)[C@@H](COCc5ccccc5)[C@]45CC(=O)c4ccc6c(c4O5)CCCC6)c3n2)(c2ccccc2)c2ccccc2)cc1 ZINC000587515927 KK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587515951 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587515953 KK Annotated Anodyne CCCC[C@@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587515955 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 ZINC000587515958 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 ZINC000587515969 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 ZINC000587515978 KK Annotated Anodyne O=C1C[C@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 ZINC000587516074 KK Annotated Anodyne O=C1C[C@@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)Oc2c1ccc1c2CCCC1 ZINC000587516076 KK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516087 KK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587516095 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(OCc3ccccc3)c21 ZINC000587516101 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2cccc(OCc3ccccc3)c21 ZINC000587516102 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516123 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516124 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587516146 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587516147 KK Annotated Anodyne COc1cc([C@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587516148 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)ccc1N1CCCC1 ZINC000587516149 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587516150 KK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587516151 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587516152 KK Annotated Anodyne Cc1cc2c(cc1C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587516153 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(OCc3ccccc3)cccc21 ZINC000587516730 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(OCc3ccccc3)cccc21 ZINC000587516731 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516950 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587516951 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516958 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587516959 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587517038 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC ZINC000587517039 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517438 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517439 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517440 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517441 KK Annotated Anodyne O=C1C[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587517442 KK Annotated Anodyne O=C1C[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587517443 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517501 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517502 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517503 KK Annotated Anodyne CN1CCCC[C@H]1Cn1cc([C@@]2(c3cccc4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587517504 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517640 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517641 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517642 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517643 KK Annotated Anodyne O=C1C[C@]2(CC[C@H]3[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517747 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587517748 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587517749 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3[C@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587517750 KK Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517778 KK Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517779 KK Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517780 KK Annotated Anodyne O=C1C[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587517781 KK Annotated Anodyne O=C1C[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)Oc2c1ccc1c2CCCC1 ZINC000587518142 KK Annotated Anodyne O=C1C[C@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)Oc2c1ccc1c2CCCC1 ZINC000587518143 KK Annotated Anodyne CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587518165 KK Annotated Anodyne CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587518166 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518286 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518287 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518288 KK Annotated Anodyne O=C1C[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@H]3C2)Oc2c1ccc1c2CCCC1 ZINC000587518289 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518360 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518361 KK Annotated Mild COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587518445 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587518446 KK Annotated Anodyne O=C1C[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587518457 KK Annotated Anodyne O=C1C[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587518458 KK Annotated Anodyne O=C1C[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587518459 KK Annotated Anodyne O=C1C[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)Oc2c1ccc1c2CCCC1 ZINC000587518460 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518661 KK Annotated Anodyne CC[C@@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518662 KK Annotated Anodyne CC[C@@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518663 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518664 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587518802 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H](C1)N2Cc1ccccc1 ZINC000587518818 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H](C1)N2Cc1ccccc1 ZINC000587518819 KK Annotated Anodyne CN1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587518980 KK Annotated Bother CN1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587518981 KK Annotated Bother CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519028 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587519029 KK Annotated Anodyne CC1(C)C([C@@]2(c3cn(CCN4CCOCC4)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587519206 KK Annotated Anodyne CC1(C)C([C@]2(c3cn(CCN4CCOCC4)c4ccccc34)CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C ZINC000587519207 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5CC(=O)c6ccc7c(c6O5)CCCC7)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587520391 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5CC(=O)c6ccc7c(c6O5)CCCC7)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587520392 KK Annotated Clean CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587520451 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587520452 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587520453 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587520454 KK Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587520459 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587520460 KK Annotated Mild CCOc1ccc(OCCOc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OCC)cc1 ZINC000587520503 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OCC)cc1 ZINC000587520504 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587520521 KK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587520522 KK Annotated Clean CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520538 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520539 KK Annotated Anodyne C[C@@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520552 KK Annotated Anodyne C[C@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520553 KK Annotated Anodyne O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(CC(=O)c2ccc3c(c2O1)CCCC3)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587520568 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(CC(=O)c2ccc3c(c2O1)CCCC3)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587520569 KK Annotated Bother CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCC ZINC000587520580 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OCCC ZINC000587520581 KK Annotated Anodyne O=C(C(=O)c1ccc([C@]2(C(=O)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587520585 KK Annotated Clean O=C(C(=O)c1ccc([C@@]2(C(=O)c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587520586 KK Annotated Clean CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587520591 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587520592 KK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587520819 KK Annotated Mild Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520828 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587520836 KK Annotated Anodyne C[C@]12CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]12 ZINC000587521051 KK Annotated Anodyne C[C@]12CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]12 ZINC000587521052 KK Annotated Anodyne CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(CC(=O)c6ccc7c(c6O5)CCCC7)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587521167 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(CC(=O)c6ccc7c(c6O5)CCCC7)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587521174 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587521228 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587521231 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521233 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521361 KK Annotated Mild O=C1CC(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587521363 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521381 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521382 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521383 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587521442 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587521461 KK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)C(C)(C)[C@@H]2CC[C@]13C ZINC000587521576 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)C(C)(C)[C@H]2CC[C@]13C ZINC000587521601 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)C(C)(C)[C@H]2CC[C@]13C ZINC000587521607 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)C(C)(C)[C@@H]2CC[C@]13C ZINC000587521615 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587521723 KK Annotated Clean O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587521724 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521793 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521797 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521800 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587521803 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521824 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521834 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521836 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587521837 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(CC(=O)c7ccc8c(c7O6)CCCC8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587521854 KK Annotated Mild O=C1C[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587521870 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(CC(=O)c7ccc8c(c7O6)CCCC8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587521875 KK Annotated Mild O=C1C[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587521877 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)c1cc(O)ccc1-3 ZINC000587521918 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)c1cc(O)ccc1-3 ZINC000587521937 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521940 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587521949 KK Annotated Clean CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587521962 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587521979 KK Annotated Mild CC(=O)O[C@H]1C[C@]2(C)[C@H](CC[C@H]2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587521981 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587521984 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)=C(OC)C1=O ZINC000587522004 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)=C(OC)C1=O ZINC000587522029 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)=C(OC)C1=O ZINC000587522034 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)=C(OC)C1=O ZINC000587522039 KK Annotated Mild CC[C@@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522101 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522107 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522109 KK Annotated Anodyne CC[C@@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522111 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587522592 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587522596 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587522600 KK Annotated Mild CCCCCCCCCCCCC[C@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587522602 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522632 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587522636 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523092 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587523099 KK Annotated Mild C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523217 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523220 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587523490 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587523491 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587523585 KK Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(CC(=O)c6ccc7c(c6O5)CCCC7)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587523797 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(CC(=O)c6ccc7c(c6O5)CCCC7)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587523813 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523855 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587523859 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587524102 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 ZINC000587524112 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587524211 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587524214 KK Annotated Mild CC1(C)CC(=O)C([C@H](C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2)C(=O)C1 ZINC000587524215 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587524216 KK Annotated Mild CC1(C)CC(=O)C([C@H](C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2)C(=O)C1 ZINC000587524218 KK Annotated Anodyne CC1(C)CC(=O)C([C@@H](C[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2)C(=O)C1 ZINC000587524219 KK Annotated Anodyne CC1(C)CC(=O)C([C@@H](C[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2)C(=O)C1 ZINC000587524221 KK Annotated Anodyne CCCCCCCCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCCCCCCCC)cc1C=O ZINC000587524522 KK Annotated Mild CCCCCCCCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OCCCCCCCC)cc1C=O ZINC000587524527 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587524542 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587524545 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587524644 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(CC(=O)c7ccc8c(c7O6)CCCC8)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587524922 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(CC(=O)c7ccc8c(c7O6)CCCC8)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587524928 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(CC(=O)c7ccc8c(c7O6)CCCC8)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587524930 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@@]6(CC(=O)c7ccc8c(c7O6)CCCC8)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587524931 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587525007 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587525021 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@@H](C)OC(=O)c1ccccc1 ZINC000587525028 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@H](C)OC(=O)c1ccccc1 ZINC000587525034 KK Annotated Mild O=C1C[C@@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525142 KK Annotated Anodyne O=C1C[C@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525154 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587525163 KK Annotated Anodyne O=C1C[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587525165 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587525166 KK Annotated Anodyne O=C1C[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587525172 KK Annotated Anodyne O=C1C[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525197 KK Annotated Anodyne O=C1C[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587525200 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)cc1OC ZINC000587525655 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)c(O)cc1OC ZINC000587525669 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)C)C(=O)OCC ZINC000587525890 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)C)C(=O)OCC ZINC000587525893 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)CC(=O)c6ccc7c(c6O5)CCCC7)ccc4c3)c(C)ccc2c1 ZINC000587525979 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)CC(=O)c6ccc7c(c6O5)CCCC7)ccc4c3)c(C)ccc2c1 ZINC000587525993 KK Annotated Anodyne O=C(C(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587526000 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)c1ccccc1 ZINC000587526002 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587526152 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587526158 KK Annotated Anodyne CCC(=O)O[C@]1([C@@]2(COC(C)=O)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587526192 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587526218 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526325 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526340 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(CC(=O)c6ccc7c(c6O5)CCCC7)[C@@]4(C)CC[C@@H]32)C1 ZINC000587526362 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(CC(=O)c6ccc7c(c6O5)CCCC7)[C@@]4(C)CC[C@@H]32)C1 ZINC000587526370 KK Annotated Mild O=C1C[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587526419 KK Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587526449 KK Annotated Anodyne O=C1C[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)Oc2c1ccc1c2CCCC1 ZINC000587526455 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(CC(=O)c4ccc5c(c4O2)CCCC5)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587526475 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587526483 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 ZINC000587526486 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587526618 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587526648 KK Annotated Bother C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526920 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526925 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587526928 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526942 KK Annotated Anodyne CC[C@@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526960 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526961 KK Annotated Anodyne CC[C@@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587526962 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527072 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527096 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527100 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527102 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527105 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527107 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527109 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)CC[C@H]32)C1 ZINC000587527113 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527270 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587527276 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587527299 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587527300 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587527319 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587527320 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587527321 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@@]1(c2ccc[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587527322 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587527327 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)CC(=O)c4ccc5c(c4O3)CCCC5)c12 ZINC000587527328 KK Annotated Anodyne COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587527610 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587527614 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587527616 KK Annotated Mild COC1=C(C[C@H](C)OC(=O)c2ccccc2)c2c3c4c(c(O)cc(OC)c4c4c(OC)cc(O)c(c24)C1=O)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(OC)=C3C[C@H](C)OC(=O)Oc1ccc(O)cc1 ZINC000587527619 KK Annotated Mild CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 ZINC000587527654 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(=O)C1 ZINC000587527656 KK Annotated Clean CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527750 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527751 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527753 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587527754 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)CC(=O)c5ccc6c(c5O3)CCCC6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587527858 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)CC(=O)c5ccc6c(c5O3)CCCC6)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587527863 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587528016 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587528017 KK Annotated Mild COc1ccc(C=C2c3ccccc3C3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1O ZINC000587528018 KK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587528037 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587528038 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587528039 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O ZINC000587528042 KK Annotated Mild COC(=O)[C@@H](C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(OC)cc1 ZINC000587528065 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(OC)cc1 ZINC000587528066 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(OC)cc1 ZINC000587528068 KK Annotated Anodyne COC(=O)[C@@H](C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccc(OC)cc1 ZINC000587528069 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@]12C ZINC000587528124 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@]12C ZINC000587528125 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587528325 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587528326 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528451 KK Annotated Anodyne O=C1C[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@@H]2CCCNC2=O)Oc2c1ccc1c2CCCC1 ZINC000587528453 KK Annotated Anodyne O=C1C[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)Oc2c1ccc1c2CCCC1 ZINC000587528454 KK Annotated Anodyne O=C1C[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)Oc2c1ccc1c2CCCC1 ZINC000587528455 KK Annotated Anodyne O=C1C[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@@H]2CCCNC2=O)Oc2c1ccc1c2CCCC1 ZINC000587528456 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587528457 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(CC(=O)c4ccc5c(c4O2)CCCC5)C(C)(C)[C@@H]1CC3 ZINC000587528484 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(CC(=O)c4ccc5c(c4O2)CCCC5)C(C)(C)[C@@H]1CC3 ZINC000587528485 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528600 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528601 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528602 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528603 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528631 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@]1(C)[C@H]2CC[C@@]2(C)[C@H]([C@]3(CO)CC(=O)c4ccc5c(c4O3)CCCC5)CC[C@@H]21 ZINC000587528635 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@]1(CO)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528637 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@@]1(C)[C@H]2CC[C@@]2(C)[C@H]([C@@]3(CO)CC(=O)c4ccc5c(c4O3)CCCC5)CC[C@@H]21 ZINC000587528638 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC(=O)C=C12 ZINC000587528647 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]2CCC(=O)C=C12 ZINC000587528650 KK Annotated Mild C[C@]12CC[C@@](C)(O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528684 KK Annotated Anodyne C[C@@]1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528685 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)CC(=O)c1ccc2c(c1O5)CCCC2 ZINC000587528899 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)CC(=O)c1ccc2c(c1O5)CCCC2 ZINC000587528902 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)CC(=O)c1ccc2c(c1O5)CCCC2 ZINC000587528903 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)CC(=O)c1ccc2c(c1O5)CCCC2 ZINC000587528904 KK Annotated Anodyne C[C@H]1[C@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31C)CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528908 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528909 KK Annotated Anodyne C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528914 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528916 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528917 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587528918 KK Annotated Mild C[C@@]1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587528948 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587528949 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529031 KK Annotated Bother Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529034 KK Annotated Bother CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587529136 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587529138 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587529139 KK Annotated Anodyne CCCCC[C@@H](O)c1ccc([C@H]2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587529140 KK Annotated Anodyne C[C@@]1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529153 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587529154 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@]12C ZINC000587529185 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@]12C ZINC000587529186 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587529426 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587529428 KK Annotated Anodyne O=C1c2ccccc2C(=C2c3ccccc3C3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c2ccccc21 ZINC000587529473 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)CC(=O)c1ccc2c(c1O5)CCCC2 ZINC000587529577 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)CC(=O)c1ccc2c(c1O5)CCCC2 ZINC000587529579 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(CC(=O)c6ccc7c(c6O5)CCCC7)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587529624 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(CC(=O)c6ccc7c(c6O5)CCCC7)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587529629 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@@]5(CC(=O)c6ccc7c(c6O5)CCCC7)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587529631 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@@]5(CC(=O)c6ccc7c(c6O5)CCCC7)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587529634 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529653 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529654 KK Annotated Anodyne O=C1C[C@@](CBr)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587529659 KK Annotated Reactive O=C1C[C@](CBr)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 ZINC000587529662 KK Annotated Reactive CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529671 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587529674 KK Annotated Unstable O=C(O)COc1ccc([C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl ZINC000587529773 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl ZINC000587529774 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1O ZINC000587529816 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1O ZINC000587529817 KK Annotated Clean CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@]12C ZINC000587529911 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@]12C ZINC000587529913 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587529959 KK Annotated Mild CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587529970 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587529976 KK Annotated Mild COc1cc2c(cc1CC=C(C)C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccc(O)cc1)O2 ZINC000587529981 KK Annotated Anodyne CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587529982 KK Annotated Mild COc1cc2c(cc1CC=C(C)C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccc(O)cc1)O2 ZINC000587529986 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)CC(=O)c4ccc5c(c4O2)CCCC5)O[C@]2(C)CC[C@H]1[C@H]3C2 ZINC000587530044 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)CC(=O)c4ccc5c(c4O2)CCCC5)O[C@]2(C)CC[C@H]1[C@H]3C2 ZINC000587530053 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)CC(=O)c4ccc5c(c4O2)CCCC5)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587530056 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)CC(=O)c4ccc5c(c4O2)CCCC5)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587530060 KK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587530107 KK Annotated Anodyne O=C1C[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)Oc2c1ccc1c2CCCC1 ZINC000587530119 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587530144 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587530166 KK Annotated Anodyne COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)(C)C ZINC000587530227 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)(C)C ZINC000587530230 KK Annotated Reactive CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530243 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530245 KK Annotated Anodyne O=C1C[C@H](c2cn(S(=O)(=O)c3ccccc3)c3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587530315 KK Annotated Anodyne O=C1C[C@@H](c2cn(S(=O)(=O)c3ccccc3)c3cc(Br)ccc23)Oc2c1ccc1c2CCCC1 ZINC000587530317 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587530460 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@]4(C)CC(=O)c5ccc6c(c5O4)CCCC6)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587530463 KK Annotated Mild O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530473 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530482 KK Annotated Clean CCCOc1ccn2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587530567 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587530576 KK Annotated Anodyne COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(=O)c4ccc5c(c4O2)CCCC5)CC(C)(C)C3)cc1 ZINC000587530623 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(=O)c4ccc5c(c4O2)CCCC5)CC(C)(C)C3)cc1 ZINC000587530629 KK Annotated Mild O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587530686 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587530691 KK Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccc4ccccc4c3O2)cc1OC ZINC000587530821 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccc4ccccc4c3O2)cc1OC ZINC000587530824 KK Annotated Anodyne O=C1C[C@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530896 KK Annotated Anodyne O=C1C[C@@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530897 KK Annotated Anodyne O=C1C[C@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530898 KK Annotated Anodyne O=C1C[C@@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587530899 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530930 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530933 KK Annotated Bother CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530936 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587530940 KK Annotated Mild O=C1C[C@](CBr)(c2ccc(-c3sccc3Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531017 KK Annotated Reactive O=C1C[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531018 KK Annotated Reactive CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531047 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531054 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nn2C)cc1 ZINC000587531063 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nn2C)cc1 ZINC000587531069 KK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587531093 KK Annotated Bother O=C1C[C@@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587531103 KK Annotated Bother Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531120 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587531123 KK Annotated Reactive COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587531158 KK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587531160 KK Annotated Bother O=C1CC2(Oc3c1ccc1c3CCCC1)c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587531181 KK Annotated Unstable O=C1C[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)Oc2c1ccc1c2CCCC1 ZINC000587531185 KK Annotated Unstable O=C1C[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)Oc2c1ccc1c2CCCC1 ZINC000587531186 KK Annotated Unstable O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587531325 KK Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587531326 KK Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587531458 KK Annotated Bother O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587531459 KK Annotated Bother O=C1C[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531526 KK Annotated Anodyne O=C1C[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587531532 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc(OC)c1OC ZINC000587531592 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc(OC)c1OC ZINC000587531600 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc(OC)c1OC ZINC000587531602 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc(OC)c1OC ZINC000587531604 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587531655 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587531656 KK Annotated Anodyne O=C1C[C@@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587531664 KK Annotated Anodyne O=C1C[C@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587531672 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531742 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531745 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531760 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587531761 KK Annotated Reactive O=C1C[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587531773 KK Annotated Anodyne O=C1C[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)Oc2c1ccc1c2CCCC1 ZINC000587531774 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587531926 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587531933 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587531942 KK Annotated Bother COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587531952 KK Annotated Bother CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531953 KK Annotated Anodyne CC[C@]1([C@@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531961 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531964 KK Annotated Anodyne CC[C@]1([C@@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587531966 KK Annotated Anodyne Cn1c(Sc2ccc(Br)cc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587532037 KK Annotated Anodyne Cn1c(Sc2ccc(Br)cc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587532038 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532039 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532041 KK Annotated Anodyne O=C1C[C@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587532053 KK Annotated Anodyne O=C1C[C@@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)Oc2c1ccc1c2CCCC1 ZINC000587532058 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532067 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532069 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587532181 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587532183 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587532184 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587532185 KK Annotated Mild COC(=O)c1ccc([C@]2(C(Br)Br)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532388 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587532394 KK Annotated Reactive O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587532417 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587532429 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br ZINC000587532431 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587532433 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587532434 KK Annotated Anodyne O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587532435 KK Annotated Anodyne O=C1C[C@@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587532468 KK Annotated Anodyne O=C1C[C@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587532471 KK Annotated Anodyne O=C1C[C@@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587532475 KK Annotated Anodyne O=C1C[C@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587532476 KK Annotated Anodyne C=CCn1c(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)sc1=NS(=O)(=O)c1cccs1 ZINC000587532498 KK Annotated Mild C=CCn1c(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)sc1=NS(=O)(=O)c1cccs1 ZINC000587532499 KK Annotated Mild O=C1C[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587532510 KK Annotated Bother O=C1C[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)Oc2c1ccc1c2CCCC1 ZINC000587532512 KK Annotated Bother Cn1nc(-c2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Cl)cc1 ZINC000587532536 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Cl)cc1 ZINC000587532539 KK Annotated Anodyne O=C1C[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587532560 KK Annotated Reactive O=C1C[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)Oc2c1ccc1c2CCCC1 ZINC000587532561 KK Annotated Reactive COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587532889 KK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587532891 KK Annotated Bother Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532896 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587532905 KK Annotated Anodyne CCC([C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587532970 KK Annotated Unstable CCC([C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587532971 KK Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532980 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587532981 KK Annotated Unstable CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587533054 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C ZINC000587533062 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533185 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533187 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533189 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533191 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533197 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533198 KK Annotated Bother Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533200 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H](c2ccccc2)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533203 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H](c2ccccc2)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533207 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587533208 KK Annotated Mild Cn1cnnc1SCc1cc(Cl)cc2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)coc12 ZINC000587533240 KK Annotated Anodyne Cn1cnnc1SCc1cc(Cl)cc2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)coc12 ZINC000587533259 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533297 KK Annotated Anodyne O=C1C[C@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533298 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533300 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533302 KK Annotated Anodyne O=C1C[C@@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)Oc2c1ccc1c2CCCC1 ZINC000587533304 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)C(=O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587533310 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533311 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533320 KK Annotated Reactive CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(O)ccc(O)c1O2 ZINC000587533337 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(O)ccc(O)c1O2 ZINC000587533346 KK Annotated Anodyne COC(=O)C([C@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587533394 KK Annotated Unstable COC(=O)C([C@@]1(C2CCC2)CC(=O)c2ccc3c(c2O1)CCCC3)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587533395 KK Annotated Unstable C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587533406 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587533409 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587533410 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587533411 KK Annotated Mild COC(=O)c1ccccc1Sc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)nn1C ZINC000587533420 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)nn1C ZINC000587533430 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587533471 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3)OC ZINC000587533472 KK Annotated Anodyne CCS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl ZINC000587533473 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl ZINC000587533474 KK Annotated Reactive Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533485 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533486 KK Annotated Anodyne O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587533592 KK Annotated Bother O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587533597 KK Annotated Bother CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587533629 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587533633 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587533636 KK Annotated Anodyne COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587533638 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587533647 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587533649 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)c1 ZINC000587533700 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)c1 ZINC000587533715 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1O ZINC000587533782 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1O ZINC000587533784 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1O ZINC000587533786 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1O ZINC000587533787 KK Annotated Mild O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587533804 KK Annotated Anodyne O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCC1c2ccccc2-c2ccccc21 ZINC000587533808 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1O ZINC000587533832 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1O ZINC000587533839 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H]1O ZINC000587533840 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H]1O ZINC000587533841 KK Annotated Mild Cn1nc(-c2ccccc2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Br)cc1 ZINC000587533865 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Sc1ccc(Br)cc1 ZINC000587533869 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533958 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587533959 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(CC(=O)c5ccc6c(c5O4)CCCC6)C(C)(C)[C@@H]3CC[C@]12C ZINC000587533966 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(CC(=O)c5ccc6c(c5O4)CCCC6)C(C)(C)[C@@H]3CC[C@]12C ZINC000587533970 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534026 KK Annotated Reactive CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534034 KK Annotated Reactive COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534089 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534097 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534139 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534141 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534142 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534144 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534146 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534147 KK Annotated Anodyne O=C1C[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534148 KK Annotated Reactive O=C1C[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2c1ccc1c2CCCC1 ZINC000587534151 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587534217 KK Annotated Reactive Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587534227 KK Annotated Reactive CCOC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587534235 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587534236 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587534237 KK Annotated Anodyne CCOC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587534239 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587534260 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)CC(=O)c4ccc5c(c4O3)CCCC5)c2)cc1 ZINC000587534269 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534308 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534309 KK Annotated Anodyne O=C1CC(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 ZINC000587534334 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)c([N+](=O)[O-])c1 ZINC000587534348 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2OC)c([N+](=O)[O-])c1 ZINC000587534349 KK Annotated Bother CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587534356 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 ZINC000587534357 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534362 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587534363 KK Annotated Anodyne Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587534453 KK Annotated Clean Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587534466 KK Annotated Clean COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587534516 KK Annotated Bother COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587534530 KK Annotated Bother Cn1c(Sc2c(Cl)cccc2Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587534533 KK Annotated Anodyne Cn1c(Sc2c(Cl)cccc2Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 ZINC000587534549 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(CC(=O)c4ccc5c(c4O2)CCCC5)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587534560 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(CC(=O)c4ccc5c(c4O2)CCCC5)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587534570 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@@]1(CC(=O)c2ccc4c(c2O1)CCCC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587534606 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@]1(CC(=O)c2ccc4c(c2O1)CCCC4)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587534615 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12CC(=O)c1ccc5c(c1O2)CCCC5)OCOC3=CC4=O ZINC000587534663 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12CC(=O)c1ccc5c(c1O2)CCCC5)OCOC3=CC4=O ZINC000587534667 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12CC(=O)c1ccc5c(c1O2)CCCC5)OCOC3=CC4=O ZINC000587534672 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12CC(=O)c1ccc5c(c1O2)CCCC5)OCOC3=CC4=O ZINC000587534677 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587534696 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)CC(=O)c3ccc4c(c3O2)CCCC4)O1 ZINC000587534705 KK Annotated Mild CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587534794 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587534795 KK Annotated Anodyne CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534943 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534947 KK Annotated Reactive CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534949 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587534951 KK Annotated Reactive COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587534998 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535002 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535003 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535004 KK Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)CC(=O)c4ccc5c(c4O2)CCCC5)[C@H]13 ZINC000587535059 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)CC(=O)c4ccc5c(c4O2)CCCC5)[C@H]13 ZINC000587535060 KK Annotated Mild COc1cc2c(cc1OC)[C@@H](C1=COc3ccccc3[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCC2 ZINC000587535073 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C1=COc3ccccc3[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCC2 ZINC000587535076 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCC2 ZINC000587535078 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13CC(=O)c1ccc4c(c1O3)CCCC4)OCC2 ZINC000587535081 KK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1cccc3c1C(=O)c1c(cccc12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587535133 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@H]3O[C@]32[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535188 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535191 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535193 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3C[C@H]3O[C@]32[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535194 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535372 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535377 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535380 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587535383 KK Annotated Anodyne CCCC[C@@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535511 KK Annotated Anodyne CCCC[C@@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535514 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535518 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535519 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccc(O)cc1)O2 ZINC000587535533 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@H](c1ccc(O)cc1)O2 ZINC000587535534 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccc(O)cc1)O2 ZINC000587535536 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C[C@@H](c1ccc(O)cc1)O2 ZINC000587535539 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535548 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 ZINC000587535549 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)CC(=O)c3ccc4c(c3O1)CCCC4)C=CC(C)(C)O2 ZINC000587535596 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)CC(=O)c3ccc4c(c3O1)CCCC4)C=CC(C)(C)O2 ZINC000587535604 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535609 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535611 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535613 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2=O)cc1 ZINC000587535614 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535666 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587535673 KK Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587535689 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587535690 KK Annotated Anodyne O=C1CC2(Oc3c1ccc1c3CCCC1)c1c3cccc1C(=O)c1cccc(c12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587535694 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587535695 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 ZINC000587535699 KK Annotated Anodyne C[C@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535730 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535731 KK Annotated Anodyne C[C@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535732 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587535733 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535750 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535753 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535754 KK Annotated Anodyne COc1ccc([C@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)cc1 ZINC000587535755 KK Annotated Anodyne COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587535787 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587535788 KK Annotated Anodyne CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535870 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587535871 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)C1=O ZINC000587535882 KK Annotated Mild O=C(O)CCC(=O)Nc1nnc(SC[C@@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535886 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)C1=O ZINC000587535887 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)C1=O ZINC000587535888 KK Annotated Mild O=C(O)CCC(=O)Nc1nnc(SC[C@]2(c3ccc(Cl)cc3Cl)CC(=O)c3ccc4c(c3O2)CCCC4)s1 ZINC000587535889 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C(C)(C)C1=O ZINC000587535891 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535915 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535917 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535919 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 ZINC000587535922 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536061 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536069 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1OCC ZINC000587536171 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)s2)cc1OCC ZINC000587536172 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]1C2 ZINC000587536183 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]1C2 ZINC000587536184 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]1C2 ZINC000587536185 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@@]3(CCCCC)CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]1C2 ZINC000587536186 KK Annotated Mild O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587536267 KK Annotated Reactive O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 ZINC000587536271 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC ZINC000587536283 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC ZINC000587536286 KK Annotated Reactive COc1ccc(-c2csc([C@@H](C#N)[C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC ZINC000587536288 KK Annotated Reactive COc1ccc(-c2csc([C@@H](C#N)[C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC ZINC000587536290 KK Annotated Reactive CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c([C@@]5(c6ccccc6)CC(=O)c6ccc7c(c6O5)CCCC7)c(O)c4[C@@H]1[C@@H]23 ZINC000587536296 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587536297 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587536298 KK Annotated Anodyne CC1(C)[C@@H]2CC[C@]3(C)Oc4cc(O)c([C@]5(c6ccccc6)CC(=O)c6ccc7c(c6O5)CCCC7)c(O)c4[C@@H]1[C@@H]23 ZINC000587536301 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536303 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536306 KK Annotated Clean COc1cccc([C@@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587536317 KK Annotated Anodyne COc1cccc([C@@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587536318 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587536319 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)c1OC ZINC000587536320 KK Annotated Anodyne COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536347 KK Annotated Reactive COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536348 KK Annotated Reactive CC(C)(C)C1CCC2(CC1)C[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(OCC(=O)O)cc1O2 ZINC000587536445 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccc(OCC(=O)O)cc1O2 ZINC000587536446 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536461 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536462 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536463 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 ZINC000587536464 KK Annotated Anodyne C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536562 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536564 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536566 KK Annotated Reactive C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 ZINC000587536567 KK Annotated Reactive CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)nc1C ZINC000587536599 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)nc1C ZINC000587536600 KK Annotated Anodyne Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536625 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)CC(=O)c2ccc3c(c2O1)CCCC3 ZINC000587536626 KK Annotated Bother Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587536709 KK Annotated Reactive Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587536715 KK Annotated Reactive COc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587536900 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587536901 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@]41CC(=O)c2ccc4c(c2O1)CCCC4)C3=O ZINC000587536914 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41CC(=O)c2ccc4c(c2O1)CCCC4)C3=O ZINC000587536915 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@]41CC(=O)c2ccc4c(c2O1)CCCC4)C3=O ZINC000587536916 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41CC(=O)c2ccc4c(c2O1)CCCC4)C3=O ZINC000587536917 KK Annotated Mild COc1ccc(C2=C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587536918 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587536919 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587536956 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587536957 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000587537072 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000587537074 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000587537075 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000587537076 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587537079 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587537082 KK Annotated Reactive COc1cc(Br)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587537083 KK Annotated Reactive COc1cc(Br)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587537084 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Br)cc(Br)cc2Br)o1 ZINC000587537085 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Br)cc(Br)cc2Br)o1 ZINC000587537088 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Br)cc(Br)cc2Br)o1 ZINC000587537089 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Br)cc(Br)cc2Br)o1 ZINC000587537090 KK Annotated Anodyne O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537126 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537127 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537130 KK Annotated Reactive O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537132 KK Annotated Reactive CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 ZINC000587537144 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1-2 ZINC000587537147 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587537153 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587537154 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587537155 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000587537156 KK Annotated Reactive C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587537182 KK Annotated Reactive C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587537183 KK Annotated Reactive C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587537184 KK Annotated Reactive C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br ZINC000587537185 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(CBr)cc1 ZINC000587537245 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(CBr)cc1 ZINC000587537249 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(CBr)cc1 ZINC000587537251 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(CBr)cc1 ZINC000587537253 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537294 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537295 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537296 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537297 KK Annotated Reactive COc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1Br ZINC000587537370 KK Annotated Anodyne COc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1Br ZINC000587537371 KK Annotated Anodyne COc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1Br ZINC000587537372 KK Annotated Anodyne COc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1Br ZINC000587537373 KK Annotated Anodyne O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537402 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537403 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537404 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537405 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537414 KK Annotated Reactive O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537415 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537416 KK Annotated Reactive O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537417 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537426 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537427 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537428 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537429 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537430 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537431 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537432 KK Annotated Reactive C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537433 KK Annotated Reactive COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)ccc32)cc1)C(=O)OC ZINC000587537442 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)CC(=O)c5ccc6c(c5O4)CCCC6)ccc32)cc1)C(=O)OC ZINC000587537443 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 ZINC000587537444 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 ZINC000587537445 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 ZINC000587537446 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 ZINC000587537447 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 ZINC000587537480 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1 ZINC000587537481 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1 ZINC000587537482 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccccc1 ZINC000587537483 KK Annotated Reactive N#CN=c1sc([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)nn1-c1cccc(Br)c1 ZINC000587537503 KK Annotated Anodyne N#CN=c1sc([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)nn1-c1cccc(Br)c1 ZINC000587537504 KK Annotated Anodyne O=C(Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 ZINC000587537509 KK Annotated Reactive O=C(Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 ZINC000587537510 KK Annotated Reactive O=C(Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 ZINC000587537511 KK Annotated Reactive O=C(Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 ZINC000587537512 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Oc2ccccc2)cc1 ZINC000587537529 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Oc2ccccc2)cc1 ZINC000587537530 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Oc2ccccc2)cc1 ZINC000587537531 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Oc2ccccc2)cc1 ZINC000587537532 KK Annotated Reactive C[C@]1(c2cc(Br)c(O)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537533 KK Annotated Anodyne C[C@]1(c2cc(Br)c(O)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537534 KK Annotated Anodyne C[C@@]1(c2cc(Br)c(O)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587537535 KK Annotated Anodyne C[C@@]1(c2cc(Br)c(O)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587537536 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1oc2ccccc2c1CBr ZINC000587537537 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1oc2ccccc2c1CBr ZINC000587537538 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1oc2ccccc2c1CBr ZINC000587537539 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1oc2ccccc2c1CBr ZINC000587537540 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537575 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537576 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537577 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537578 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537589 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537590 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587537591 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587537592 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587537629 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587537630 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587537631 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587537632 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2Br)c1 ZINC000587537663 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2Br)c1 ZINC000587537664 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCc2ccccc2Br)c1 ZINC000587537665 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCc2ccccc2Br)c1 ZINC000587537666 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O ZINC000587537675 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O ZINC000587537676 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O ZINC000587537677 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cnn(-c2ccccc2)c1)c1cc(Br)ccc1O ZINC000587537678 KK Annotated Anodyne N#Cc1ccccc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537679 KK Annotated Mild N#Cc1ccccc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537680 KK Annotated Mild N#Cc1ccccc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587537681 KK Annotated Mild N#Cc1ccccc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587537682 KK Annotated Mild Cc1ccc(COc2ccc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537691 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537692 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537693 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537694 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccncc2)nc1-c1ccccc1Br ZINC000587537772 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccncc2)nc1-c1ccccc1Br ZINC000587537775 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccncc2)nc1-c1ccccc1Br ZINC000587537776 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccncc2)nc1-c1ccccc1Br ZINC000587537777 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 ZINC000587537809 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 ZINC000587537810 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 ZINC000587537811 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 ZINC000587537812 KK Annotated Reactive COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587537841 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587537842 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587537843 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587537844 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537866 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587537867 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537868 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587537870 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 ZINC000587537878 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 ZINC000587537887 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 ZINC000587537888 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 ZINC000587537889 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccccn1 ZINC000587537922 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccccn1 ZINC000587537930 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccccn1 ZINC000587537931 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccccn1 ZINC000587537933 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br ZINC000587537935 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br ZINC000587537939 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br ZINC000587537940 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)cc1Br ZINC000587537941 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587537987 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587537991 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587537993 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587537994 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587537995 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538001 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587538003 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587538005 KK Annotated Reactive C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538017 KK Annotated Reactive C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538023 KK Annotated Reactive C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538024 KK Annotated Reactive C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538025 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)cc1 ZINC000587538064 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)cc1 ZINC000587538065 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)cc1 ZINC000587538066 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)cc1 ZINC000587538067 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 ZINC000587538078 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 ZINC000587538079 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 ZINC000587538080 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 ZINC000587538081 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 ZINC000587538096 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 ZINC000587538097 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 ZINC000587538098 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 ZINC000587538099 KK Annotated Reactive CC(C)(C)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587538126 KK Annotated Reactive CC(C)(C)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587538127 KK Annotated Reactive CC(C)(C)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587538128 KK Annotated Reactive CC(C)(C)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587538129 KK Annotated Reactive CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538195 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538196 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538197 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538198 KK Annotated Anodyne COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccccc1 ZINC000587538215 KK Annotated Anodyne COc1cc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccccc1 ZINC000587538216 KK Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccccc1 ZINC000587538217 KK Annotated Anodyne COc1cc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccccc1 ZINC000587538218 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1Cl)c1cc(Cl)cc(Br)c1O ZINC000587538219 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1Cl)c1cc(Cl)cc(Br)c1O ZINC000587538220 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1Cl)c1cc(Cl)cc(Br)c1O ZINC000587538221 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1Cl)c1cc(Cl)cc(Br)c1O ZINC000587538222 KK Annotated Anodyne O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538279 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538280 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538281 KK Annotated Reactive O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538282 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 ZINC000587538291 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 ZINC000587538292 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 ZINC000587538293 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 ZINC000587538294 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br ZINC000587538341 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br ZINC000587538342 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br ZINC000587538343 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br ZINC000587538344 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OCc2ccccc2)c1 ZINC000587538345 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OCc2ccccc2)c1 ZINC000587538346 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OCc2ccccc2)c1 ZINC000587538347 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OCc2ccccc2)c1 ZINC000587538348 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Br)n1 ZINC000587538351 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Br)n1 ZINC000587538352 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Br)n1 ZINC000587538353 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Br)n1 ZINC000587538354 KK Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587538371 KK Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587538372 KK Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587538373 KK Annotated Anodyne Cn1cc(Br)c(C(=O)Oc2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587538374 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587538375 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587538376 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587538377 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000587538378 KK Annotated Bother Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538391 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538393 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538394 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587538395 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)c(Br)c3c(c12)CCO3 ZINC000587538396 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)c(Br)c3c(c12)CCO3 ZINC000587538398 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(Br)c(Br)c3c(c12)CCO3 ZINC000587538401 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000587538402 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(Br)c(Br)c3c(c12)CCO3 ZINC000587538403 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(Br)cc2)cnc1Cl ZINC000587538404 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccc(Br)cc2)cnc1Cl ZINC000587538405 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(Br)cc2)cnc1Cl ZINC000587538406 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccc(Br)cc2)cnc1Cl ZINC000587538407 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000587538408 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000587538410 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000587538411 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000587538422 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000587538424 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000587538426 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000587538427 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587538439 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587538446 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587538448 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587538450 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(C[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587538451 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587538457 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587538460 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587538462 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587538509 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587538510 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587538511 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587538512 KK Annotated Reactive CCCOc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538541 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538543 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538545 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538547 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccn1 ZINC000587538564 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccn1 ZINC000587538569 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccn1 ZINC000587538570 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccn1 ZINC000587538571 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(Br)c1 ZINC000587538572 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(Br)c1 ZINC000587538574 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1cccc(Br)c1 ZINC000587538576 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1cccc(Br)c1 ZINC000587538579 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1Br ZINC000587538601 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1Br ZINC000587538602 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1Br ZINC000587538603 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1Br ZINC000587538604 KK Annotated Reactive CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538688 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587538698 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538701 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587538705 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538707 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587538711 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538714 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587538716 KK Annotated Anodyne O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587538735 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587538740 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587538741 KK Annotated Reactive O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587538744 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538747 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538750 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538752 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538755 KK Annotated Reactive Cc1cc(C)cc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Br)c1 ZINC000587538760 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1cc(Br)ccc12 ZINC000587538761 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Br)c1 ZINC000587538764 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Br)c1 ZINC000587538766 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Br)c1 ZINC000587538768 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1cc(Br)ccc12 ZINC000587538770 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Br)=COc1cc(Br)ccc12 ZINC000587538773 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Br)=COc1cc(Br)ccc12 ZINC000587538776 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587538807 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587538808 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587538809 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587538811 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538817 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538822 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587538826 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587538828 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1cccc(Br)c1 ZINC000587538854 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nn12 ZINC000587538855 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1cccc(Br)c1 ZINC000587538856 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1cccc(Br)c1 ZINC000587538857 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1cccc(Br)c1 ZINC000587538858 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nn12 ZINC000587538864 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)c(Br)cc21 ZINC000587538882 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587538890 KK Annotated Reactive O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)c(Br)cc21 ZINC000587538891 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587538893 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)c(Br)cc21 ZINC000587538894 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587538895 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 ZINC000587538896 KK Annotated Reactive O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)c(Br)cc21 ZINC000587538898 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000587538978 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000587538979 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000587538980 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000587538981 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539014 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539015 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539016 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539017 KK Annotated Reactive N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2Br)n1 ZINC000587539075 KK Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2Br)n1 ZINC000587539076 KK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2Br)n1 ZINC000587539077 KK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2Br)n1 ZINC000587539078 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnn1Cc1ccc(Cl)cc1 ZINC000587539107 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Br)cnn1Cc1ccc(Cl)cc1 ZINC000587539108 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnn1Cc1ccc(Cl)cc1 ZINC000587539109 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Br)cnn1Cc1ccc(Cl)cc1 ZINC000587539110 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539131 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539134 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539138 KK Annotated Anodyne O=C1c2cc(Br)ccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587539140 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CNc1ccc(Br)cc1)c1ccccc1 ZINC000587539208 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CNc1ccc(Br)cc1)c1ccccc1 ZINC000587539210 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CNc1ccc(Br)cc1)c1ccccc1 ZINC000587539211 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CNc1ccc(Br)cc1)c1ccccc1 ZINC000587539212 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(Br)cc1 ZINC000587539213 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(Br)cc1 ZINC000587539216 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(Br)cc1 ZINC000587539217 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(Br)cc1 ZINC000587539218 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 ZINC000587539271 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 ZINC000587539272 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 ZINC000587539275 KK Annotated Reactive CC(C)(C)OC(=O)n1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c2ccccc21 ZINC000587539277 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 ZINC000587539278 KK Annotated Reactive CC(C)(C)OC(=O)n1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c2ccccc21 ZINC000587539282 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c2ccccc21 ZINC000587539284 KK Annotated Anodyne CC(C)(C)OC(=O)n1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c2ccccc21 ZINC000587539286 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C(Br)Br ZINC000587539288 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C(Br)Br ZINC000587539292 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(Br)Br ZINC000587539293 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(Br)Br ZINC000587539295 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587539301 KK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539309 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539310 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539311 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539312 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587539313 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539326 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539327 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539328 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539329 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539362 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539370 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539371 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539372 KK Annotated Anodyne O=C1C[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587539373 KK Annotated Bother O=C1C[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 ZINC000587539374 KK Annotated Bother CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539411 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587539412 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539413 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587539415 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539422 KK Annotated Reactive CC(C)(C)OC(=O)CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539425 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539426 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539427 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539428 KK Annotated Reactive CC(C)(C)OC(=O)CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539429 KK Annotated Anodyne CC(C)(C)OC(=O)CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539431 KK Annotated Anodyne CC(C)(C)OC(=O)CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539433 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587539435 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587539441 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587539444 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cc1OCc1ccccc1 ZINC000587539446 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCCC1OCCO1 ZINC000587539481 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCCC1OCCO1 ZINC000587539482 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCCC1OCCO1 ZINC000587539483 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCCC1OCCO1 ZINC000587539484 KK Annotated Anodyne C[C@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539493 KK Annotated Anodyne C[C@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539494 KK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539495 KK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539496 KK Annotated Anodyne CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587539505 KK Annotated Anodyne CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587539507 KK Annotated Anodyne CCOc1c(Br)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587539509 KK Annotated Anodyne CCOc1c(Br)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587539510 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539516 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539517 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539518 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539519 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539520 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539521 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539522 KK Annotated Reactive O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539523 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)[C@H](Br)c1ccccc1 ZINC000587539528 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)[C@@H](Br)c1ccccc1 ZINC000587539529 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)[C@H](Br)c1ccccc1 ZINC000587539530 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)[C@@H](Br)c1ccccc1 ZINC000587539531 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000587539544 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000587539545 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000587539546 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(Br)c1OCc1ccccc1 ZINC000587539547 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Br)cc2c1=O ZINC000587539579 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Br)cc2c1=O ZINC000587539580 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Br)cc2c1=O ZINC000587539581 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Br)cc2c1=O ZINC000587539582 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccc(Br)cc1)c1ccccc1 ZINC000587539591 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCc1ccc(Br)cc1)c1ccccc1 ZINC000587539592 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccc(Br)cc1)c1ccccc1 ZINC000587539593 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCc1ccc(Br)cc1)c1ccccc1 ZINC000587539594 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539607 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539608 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539609 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539610 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(Br)cc1 ZINC000587539627 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(Br)cc1 ZINC000587539628 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(Br)cc1 ZINC000587539629 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(Br)cc1 ZINC000587539630 KK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539631 KK Annotated Anodyne C[C@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539632 KK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539633 KK Annotated Anodyne C[C@@]1(c2ccccc2OCc2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539634 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587539639 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587539640 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587539641 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Br)cccc21 ZINC000587539642 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539643 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539644 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539645 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539646 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(Br)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587539647 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(Br)c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587539648 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(Br)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 ZINC000587539650 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(Br)c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 ZINC000587539652 KK Annotated Anodyne COc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587539686 KK Annotated Reactive COc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587539687 KK Annotated Reactive COc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587539688 KK Annotated Reactive COc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587539689 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000587539710 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000587539711 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000587539712 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 ZINC000587539713 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C(Br)Br)C(Br)Br ZINC000587539731 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C(Br)Br)C(Br)Br ZINC000587539733 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000587539754 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000587539755 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000587539756 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(Br)c1 ZINC000587539757 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539774 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539775 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539777 KK Annotated Anodyne CC(C)(Br)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539779 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587539791 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587539792 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587539793 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587539794 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539847 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539848 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587539849 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587539850 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)o1 ZINC000587539867 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)o1 ZINC000587539877 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)o1 ZINC000587539880 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)o1 ZINC000587539883 KK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539887 KK Annotated Anodyne C[C@]1(c2cc(Br)cc(Br)c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539889 KK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587539890 KK Annotated Anodyne C[C@@]1(c2cc(Br)cc(Br)c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587539891 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC ZINC000587539892 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC ZINC000587539901 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC ZINC000587539902 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCC ZINC000587539903 KK Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)cc(Cl)c2O1 ZINC000587539908 KK Annotated Anodyne CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)cc(Cl)c2O1 ZINC000587539909 KK Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)cc(Cl)c2O1 ZINC000587539910 KK Annotated Anodyne CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)cc(Cl)c2O1 ZINC000587539911 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587539951 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587539960 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587539963 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587539965 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587539968 KK Annotated Anodyne COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc2ccccc2s1 ZINC000587539974 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587539975 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587539976 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587539977 KK Annotated Anodyne COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CSc1nc2ccccc2s1 ZINC000587539979 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587539993 KK Annotated Reactive CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587539999 KK Annotated Reactive CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587540000 KK Annotated Reactive CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587540001 KK Annotated Reactive NC(=O)c1ccccc1OC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540006 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540007 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540008 KK Annotated Anodyne NC(=O)c1ccccc1OC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540009 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587540018 KK Annotated Anodyne O=C1C[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)Oc2c1ccc1c2CCCC1 ZINC000587540020 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587540021 KK Annotated Anodyne O=C1C[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)Oc2c1ccc1c2CCCC1 ZINC000587540022 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587540023 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2C(=O)OC(c1ccccc1)c1ccccc1 ZINC000587540024 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587540025 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@]3(CS[C@H]12)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587540027 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@]3(CS[C@H]12)CC(=O)c1ccc2c(c1O3)CCCC2 ZINC000587540030 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2C(=O)OC(c1ccccc1)c1ccccc1 ZINC000587540033 KK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540035 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540039 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540040 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540042 KK Annotated Reactive Nc1c(Br)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540072 KK Annotated Reactive Nc1c(Br)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540073 KK Annotated Reactive Nc1c(Br)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587540074 KK Annotated Reactive Nc1c(Br)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587540075 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540106 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540107 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540108 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540109 KK Annotated Clean COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587540118 KK Annotated Anodyne COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587540119 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540247 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540250 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540251 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540252 KK Annotated Anodyne C[C@]1([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540269 KK Annotated Mild C[C@]1([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540270 KK Annotated Mild C[C@]1([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540271 KK Annotated Mild C[C@]1([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540272 KK Annotated Mild CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540289 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540290 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540291 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540292 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587540321 KK Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587540322 KK Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587540323 KK Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587540324 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(OCc2ccccc2)c1 ZINC000587540345 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(OCc2ccccc2)c1 ZINC000587540346 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(OCc2ccccc2)c1 ZINC000587540347 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(OCc2ccccc2)c1 ZINC000587540348 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540431 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540432 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540433 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587540434 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587540443 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587540444 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587540445 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587540446 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587540451 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587540452 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587540453 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587540454 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587540471 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587540472 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587540473 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587540474 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000587540475 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000587540476 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000587540477 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc(=O)n(-c2c(Cl)cc(Cl)cc2Cl)[nH]1 ZINC000587540478 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540496 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540497 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587540498 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587540499 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540528 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540535 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540536 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540537 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1 ZINC000587540545 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1 ZINC000587540551 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1 ZINC000587540552 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)o1 ZINC000587540553 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587540606 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587540619 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587540620 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587540623 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000587540625 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000587540629 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000587540631 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)CCO2)c1cc(Cl)ccc1Cl ZINC000587540634 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540637 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540638 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540639 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1Br ZINC000587540640 KK Annotated Reactive Cc1ccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Cl)cc1[N+](=O)[O-] ZINC000587540656 KK Annotated Bother Cc1ccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Cl)cc1[N+](=O)[O-] ZINC000587540659 KK Annotated Bother Cc1ccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Cl)cc1[N+](=O)[O-] ZINC000587540660 KK Annotated Bother Cc1ccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Cl)cc1[N+](=O)[O-] ZINC000587540661 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Br)cc1Br ZINC000587540686 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(Br)cc1Br ZINC000587540689 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Br)cc1Br ZINC000587540691 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(Br)cc1Br ZINC000587540693 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc(Br)c2)nc2ccccn12 ZINC000587540699 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc(Br)c2)nc2ccccn12 ZINC000587540702 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cccc(Br)c2)nc2ccccn12 ZINC000587540704 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cccc(Br)c2)nc2ccccn12 ZINC000587540706 KK Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccc(Br)c2)n1 ZINC000587540709 KK Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccc(Br)c2)n1 ZINC000587540711 KK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2cccc(Br)c2)n1 ZINC000587540712 KK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2cccc(Br)c2)n1 ZINC000587540713 KK Annotated Mild COc1c(C)cc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587540732 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587540734 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587540735 KK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587540737 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587540801 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587540804 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587540805 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587540806 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540822 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587540823 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540843 KK Annotated Anodyne Cn1ncc(Br)c1C(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587540844 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540849 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540850 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540851 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540852 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540865 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540866 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540867 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587540868 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540877 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540878 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540879 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540880 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCC1OCCCO1 ZINC000587540895 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCC1OCCCO1 ZINC000587540897 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCC1OCCCO1 ZINC000587540899 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCC1OCCCO1 ZINC000587540901 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540914 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540915 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540916 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540917 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587540927 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587540931 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587540933 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587540936 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540944 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540947 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540948 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540950 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540974 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540979 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540987 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587540988 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540989 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587540990 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587541007 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587541008 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587541009 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587541010 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541043 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541044 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541045 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541046 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541047 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541048 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(Br)ccc1O)c1ccccc1Cl ZINC000587541073 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Br)ccc1O)c1ccccc1Cl ZINC000587541074 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(Br)ccc1O)c1ccccc1Cl ZINC000587541075 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Br)ccc1O)c1ccccc1Cl ZINC000587541076 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587541081 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587541082 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587541083 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587541084 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000587541121 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000587541122 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000587541123 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(Br)c2)c2ccccc12 ZINC000587541124 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000587541129 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000587541130 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000587541131 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000587541132 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Cl)c1 ZINC000587541175 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Cl)c1 ZINC000587541176 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Cl)c1 ZINC000587541177 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Cl)c1 ZINC000587541178 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541307 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541308 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541309 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541310 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541319 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541320 KK Annotated Reactive COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587541321 KK Annotated Reactive COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587541322 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587541327 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587541328 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587541329 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587541330 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587541331 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587541332 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587541333 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587541334 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587541335 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587541336 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587541337 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 ZINC000587541338 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541369 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541370 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541371 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541372 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Br)c1 ZINC000587541373 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Br)c1 ZINC000587541374 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Br)c1 ZINC000587541375 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Br)c1 ZINC000587541376 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000587541377 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000587541378 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000587541379 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccccc1 ZINC000587541380 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Br)c2)cc1 ZINC000587541385 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Br)c2)cc1 ZINC000587541386 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Br)c2)cc1 ZINC000587541387 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Br)c2)cc1 ZINC000587541388 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587541389 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587541390 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587541391 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587541392 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587541401 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587541402 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587541403 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587541404 KK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587541425 KK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587541426 KK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587541427 KK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587541428 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000587541440 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000587541442 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000587541443 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1c(Cl)cccc1Cl ZINC000587541445 KK Annotated Anodyne O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587541459 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587541460 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587541461 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587541462 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541481 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541482 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541485 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541487 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541526 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587541528 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541529 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541530 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587541531 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587541532 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587541533 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587541535 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000587541607 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000587541613 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000587541615 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 ZINC000587541616 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(C)c1Br ZINC000587541725 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541736 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(C)c1Br ZINC000587541737 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(C)c1Br ZINC000587541738 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(C)c1Br ZINC000587541739 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541750 KK Annotated Anodyne Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541752 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587541754 KK Annotated Anodyne Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541755 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587541757 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000587541770 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000587541771 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000587541772 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 ZINC000587541774 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccc1Br)c1ccccc1Br ZINC000587541787 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccccc1Br)c1ccccc1Br ZINC000587541788 KK Annotated Anodyne COc1cc(Br)c(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587541789 KK Annotated Anodyne COc1cc(Br)c(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587541790 KK Annotated Anodyne COc1cc(Br)c(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O ZINC000587541791 KK Annotated Anodyne COc1cc(Br)c(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O ZINC000587541792 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000587541805 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000587541806 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000587541807 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000587541808 KK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541809 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541810 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541811 KK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541812 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000587541829 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000587541830 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000587541831 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)cc(Br)c1O ZINC000587541832 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCn1cccc1 ZINC000587541837 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCn1cccc1 ZINC000587541838 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCn1cccc1 ZINC000587541839 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCn1cccc1 ZINC000587541840 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541841 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541842 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587541857 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587541858 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587541859 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587541860 KK Annotated Reactive O=C(Nc1cc(Cl)ccc1Cl)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587541874 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)NC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587541878 KK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541931 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541933 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541934 KK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541935 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541936 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541941 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541942 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541943 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541944 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541945 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587541946 KK Annotated Reactive O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587541947 KK Annotated Reactive O=C(Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587541966 KK Annotated Anodyne O=C(Oc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587541967 KK Annotated Anodyne O=C(Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587541968 KK Annotated Anodyne O=C(Oc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587541970 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl ZINC000587542031 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl ZINC000587542032 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl ZINC000587542033 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([C@@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)ccc1Cl ZINC000587542034 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542035 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542036 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542037 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542038 KK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587542039 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587542040 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587542041 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587542042 KK Annotated Bother O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542055 KK Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542056 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542057 KK Annotated Anodyne O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542058 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542060 KK Annotated Reactive O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542064 KK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542082 KK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542083 KK Annotated Reactive O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542086 KK Annotated Reactive O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542088 KK Annotated Reactive CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542089 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542095 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542097 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542099 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587542132 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587542135 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587542136 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1ccccc1 ZINC000587542137 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccc(Br)c1 ZINC000587542185 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccc(Br)c1 ZINC000587542187 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1cccc(Br)c1 ZINC000587542188 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1cccc(Br)c1 ZINC000587542189 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(Br)c2=O)cc1 ZINC000587542356 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(Br)c2=O)cc1 ZINC000587542362 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(Br)c2=O)cc1 ZINC000587542364 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(Br)c2=O)cc1 ZINC000587542366 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542371 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542373 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542375 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542377 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587542398 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587542402 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587542403 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587542404 KK Annotated Reactive CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542414 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542415 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542416 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542417 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542442 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1cccc(Br)c1 ZINC000587542446 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1cccc(Br)c1 ZINC000587542447 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c2cnn1-c1cccc(Br)c1 ZINC000587542448 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c2cnn1-c1cccc(Br)c1 ZINC000587542449 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542454 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542457 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542460 KK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc1C2 ZINC000587542472 KK Annotated Reactive O=C(O)c1cc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542474 KK Annotated Anodyne O=C(O)c1cc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542475 KK Annotated Anodyne O=C(O)c1cc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542476 KK Annotated Anodyne O=C(O)c1cc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c[nH]1 ZINC000587542477 KK Annotated Anodyne O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc1C2 ZINC000587542487 KK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1C2 ZINC000587542489 KK Annotated Reactive O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1C2 ZINC000587542491 KK Annotated Reactive C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542493 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCc1ccccc1 ZINC000587542506 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCc1ccccc1 ZINC000587542507 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCc1ccccc1 ZINC000587542508 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCc1ccccc1 ZINC000587542509 KK Annotated Anodyne C[C@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542515 KK Annotated Bother C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542518 KK Annotated Bother C[C@@]1(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542520 KK Annotated Bother C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542522 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542525 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542528 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542531 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542559 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542565 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542568 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587542569 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542587 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542589 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587542591 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542592 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587542593 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587542594 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587542595 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587542597 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542623 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542627 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542628 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542630 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587542674 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587542687 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587542688 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl ZINC000587542689 KK Annotated Reactive CC(C)(C)[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542690 KK Annotated Anodyne CC(C)(C)[C@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542692 KK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542694 KK Annotated Anodyne CC(C)(C)[C@@]1(c2ccc(Br)cc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587542696 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587542699 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542703 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542704 KK Annotated Anodyne COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587542705 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587542706 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587542707 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587542708 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccc(C(F)(F)F)c1 ZINC000587542709 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587542736 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587542747 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587542751 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587542755 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587542758 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587542761 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587542767 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587542770 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587542771 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587542773 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587542780 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587542782 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587542783 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)cc2)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587542784 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587542793 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587542798 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587542799 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587542800 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587542807 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587542814 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587542822 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587542826 KK Annotated Reactive COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542833 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587542843 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542845 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587542847 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 ZINC000587542887 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 ZINC000587542890 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 ZINC000587542893 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCNCC2)cc1)c1cccc(Cl)c1 ZINC000587542895 KK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000587542901 KK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000587542902 KK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000587542903 KK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000587542905 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000587542937 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000587542953 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000587542955 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000587542957 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1 ZINC000587542962 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCO[C@H]1CCCCO1 ZINC000587542964 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCO[C@@H]1CCCCO1 ZINC000587542966 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCO[C@H]1CCCCO1 ZINC000587542968 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587542996 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543000 KK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543001 KK Annotated Anodyne C[C@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543002 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543003 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3cccc(Br)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543004 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2cccc(Br)c2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000587543005 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543006 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543007 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2cccc(Br)c2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000587543009 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2cccc(Br)c2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000587543011 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2cccc(Br)c2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000587543013 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543016 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543017 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543018 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543019 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1ccc(Br)cc1)CC2 ZINC000587543033 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(C(=O)O)(c1ccc(Br)cc1)CC2 ZINC000587543034 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543039 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543040 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543041 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543042 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587543048 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587543050 KK Annotated Reactive Nc1c(CC(=O)O)cccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543074 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543075 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543076 KK Annotated Anodyne Nc1c(CC(=O)O)cccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543079 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)cc(Br)c12 ZINC000587543080 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)cc(Br)c12 ZINC000587543081 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(Br)cc(Br)c12 ZINC000587543084 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(Br)cc(Br)c12 ZINC000587543085 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587543136 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587543139 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587543140 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587543141 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1OC ZINC000587543163 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1OC ZINC000587543166 KK Annotated Reactive CNc1ccc(Br)c2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543167 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1OC ZINC000587543168 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1OC ZINC000587543169 KK Annotated Reactive CNc1ccc(Br)c2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543170 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543172 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543173 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543197 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543200 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543203 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)c3ccc(Br)o3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543205 KK Annotated Anodyne CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587543311 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587543315 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587543319 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 ZINC000587543320 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587543355 KK Annotated Anodyne CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543356 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587543357 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587543359 KK Annotated Anodyne CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543361 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587543362 KK Annotated Anodyne CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543365 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543368 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587543430 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543433 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587543436 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587543441 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543442 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543446 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587543447 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543450 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587543453 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000587543457 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587543463 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587543467 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000587543470 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587543473 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000587543475 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F ZINC000587543478 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CCOc2ccccc2Cl)c2ccccc12 ZINC000587543480 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F ZINC000587543499 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F ZINC000587543500 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F ZINC000587543501 KK Annotated Reactive C[C@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543587 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543591 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543595 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543599 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(Cl)c1 ZINC000587543625 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543626 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543628 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccccc1 ZINC000587543629 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543630 KK Annotated Reactive O=C(O)[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(Cl)c1 ZINC000587543631 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccccc1 ZINC000587543633 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587543634 KK Annotated Reactive CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543656 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc3cc(Br)ccc3c2)o1 ZINC000587543672 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000587543676 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543677 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543678 KK Annotated Anodyne CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543679 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000587543682 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000587543683 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000587543684 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc3cc(Br)ccc3c2)o1 ZINC000587543691 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc3cc(Br)ccc3c2)o1 ZINC000587543692 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc3cc(Br)ccc3c2)o1 ZINC000587543693 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587543713 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587543716 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587543718 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587543720 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Br)cc1 ZINC000587543721 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Br)cc1 ZINC000587543722 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1OCc1ccc(Br)cc1 ZINC000587543723 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1OCc1ccc(Br)cc1 ZINC000587543724 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1ccccc1 ZINC000587543762 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1ccccc1 ZINC000587543765 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1ccccc1 ZINC000587543766 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1ccccc1 ZINC000587543767 KK Annotated Anodyne CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543772 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543774 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543775 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543776 KK Annotated Clean O=CCOc1ccc([C@@]2(c3cncc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543786 KK Annotated Mild O=CCOc1ccc([C@]2(c3cncc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587543787 KK Annotated Mild O=CCOc1ccc([C@]2(c3cncc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543788 KK Annotated Mild O=CCOc1ccc([C@@]2(c3cncc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587543789 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000587543920 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000587543921 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000587543922 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2o1)c1cccc(C(F)(F)F)c1 ZINC000587543923 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3Br)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587543936 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3Br)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587543937 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3Br)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587543939 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3Br)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587543940 KK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587543954 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587543956 KK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587543957 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587543958 KK Annotated Clean C[C@@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543985 KK Annotated Mild C[C@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587543986 KK Annotated Mild C[C@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543988 KK Annotated Mild C[C@@]1(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587543990 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F ZINC000587543992 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F ZINC000587543994 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F ZINC000587543997 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F ZINC000587543999 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587544016 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587544022 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587544023 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587544025 KK Annotated Reactive COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544059 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544062 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544063 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544064 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 ZINC000587544080 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 ZINC000587544081 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 ZINC000587544082 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 ZINC000587544083 KK Annotated Anodyne COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544096 KK Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544100 KK Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544102 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544103 KK Annotated Bother COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544104 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544105 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544106 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544107 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544136 KK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587544140 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544141 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544142 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544144 KK Annotated Anodyne Cn1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587544149 KK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587544152 KK Annotated Anodyne Cn1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O ZINC000587544155 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544187 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544189 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587544191 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587544194 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2ccc(Br)cn12 ZINC000587544218 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2ccc(Br)cn12 ZINC000587544220 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)nc2ccc(Br)cn12 ZINC000587544221 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)nc2ccc(Br)cn12 ZINC000587544223 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544263 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587544267 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544268 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544270 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544271 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544273 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587544274 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544275 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587544277 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587544288 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587544291 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587544294 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000587544306 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000587544316 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000587544318 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl ZINC000587544320 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587544321 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587544323 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587544325 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587544328 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2ncccn12 ZINC000587544374 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2ncccn12 ZINC000587544375 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2ncccn12 ZINC000587544376 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2ncccn12 ZINC000587544377 KK Annotated Anodyne Cn1c(Oc2cccc(C(F)(F)F)c2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587544408 KK Annotated Anodyne Cn1c(Oc2cccc(C(F)(F)F)c2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587544409 KK Annotated Anodyne Cn1c(Oc2cccc(C(F)(F)F)c2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587544410 KK Annotated Anodyne Cn1c(Oc2cccc(C(F)(F)F)c2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587544411 KK Annotated Anodyne C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544435 KK Annotated Mild C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544440 KK Annotated Mild C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544445 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544449 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587544452 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587544456 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587544460 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587544463 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CCCCC1 ZINC000587544464 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544465 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544470 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544472 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544473 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000587544484 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CCCCC1 ZINC000587544486 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CCCCC1 ZINC000587544488 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)C1CCCCC1 ZINC000587544491 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000587544496 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000587544498 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc2ccccc2n1)c1ccc(C(F)(F)F)cc1 ZINC000587544501 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587544626 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587544631 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587544632 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587544634 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587544637 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1Cl ZINC000587544638 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587544641 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587544644 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587544646 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000587544649 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1Cl ZINC000587544651 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1Cl ZINC000587544652 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1Cl ZINC000587544653 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OC=C2OCc1ccc(Cl)c(Cl)c1 ZINC000587544658 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 ZINC000587544663 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OC=C2OCc1ccc(Cl)c(Cl)c1 ZINC000587544664 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544665 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CO)OC=C2OCc1ccc(Cl)c(Cl)c1 ZINC000587544666 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544667 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CO)OC=C2OCc1ccc(Cl)c(Cl)c1 ZINC000587544669 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544711 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544713 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544715 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1Cl ZINC000587544717 KK Annotated Anodyne CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544726 KK Annotated Mild CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544730 KK Annotated Reactive CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544731 KK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544732 KK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544734 KK Annotated Mild CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587544743 KK Annotated Reactive C[C@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544764 KK Annotated Anodyne C[C@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544765 KK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544766 KK Annotated Anodyne C[C@@]1(c2cccc(OCc3ccc(Cl)cc3Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544767 KK Annotated Anodyne CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544800 KK Annotated Reactive CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587544801 KK Annotated Reactive CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587544807 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587544812 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(Br)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587544814 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(Br)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587544816 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544837 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544838 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544839 KK Annotated Anodyne CC(C)(C)OC(=O)NC[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544841 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Br)cc(Br)cc12 ZINC000587544843 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(Br)cc(Br)cc12 ZINC000587544846 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Br)cc(Br)cc12 ZINC000587544848 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(Br)cc(Br)cc12 ZINC000587544850 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587544917 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587544920 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587544922 KK Annotated Reactive C[C@@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544923 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587544924 KK Annotated Reactive COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587544925 KK Annotated Reactive C[C@@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544926 KK Annotated Anodyne COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587544927 KK Annotated Reactive C[C@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544928 KK Annotated Anodyne COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587544929 KK Annotated Reactive C[C@]1(c2cnc3ccc(Br)cc3c2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544930 KK Annotated Anodyne COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587544931 KK Annotated Reactive CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544953 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544957 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587544959 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587544960 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587544975 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587544977 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587544978 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587544979 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587544980 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587544981 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587544982 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587544983 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587544984 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587544987 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587544988 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587544989 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Cl)c1 ZINC000587545028 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Cl)c1 ZINC000587545029 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Cl)c1 ZINC000587545030 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(Cl)c1 ZINC000587545031 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1Cl ZINC000587545032 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1Cl ZINC000587545033 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1Cl ZINC000587545034 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1Cl ZINC000587545035 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545044 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545045 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545046 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545047 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587545048 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587545049 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587545050 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(Cl)cc1 ZINC000587545051 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587545060 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587545061 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]1[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587545062 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587545063 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000587545089 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC000587545093 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCC(F)(F)F ZINC000587545122 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1OCCCC(F)(F)F ZINC000587545123 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCC(F)(F)F ZINC000587545124 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1OCCCC(F)(F)F ZINC000587545125 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(Br)Br)C(F)(F)C(F)(F)F ZINC000587545138 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(Br)Br)C(F)(F)C(F)(F)F ZINC000587545139 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(Br)Br)C(F)(F)C(F)(F)F ZINC000587545140 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(Br)Br)C(F)(F)C(F)(F)F ZINC000587545141 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COc1ccc2c(c1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000587545175 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COc1ccc2c(c1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000587545179 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COc1ccc2c(c1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000587545181 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COc1ccc2c(c1)CCC2)c1ccc(Cl)c(Cl)c1 ZINC000587545183 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000587545216 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000587545217 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000587545218 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000587545219 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587545232 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587545234 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587545238 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587545242 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587545256 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587545258 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587545262 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587545266 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545289 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545291 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545293 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545296 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2ncccn12 ZINC000587545298 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000587545301 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2ncccn12 ZINC000587545302 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2ncccn12 ZINC000587545303 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2ncccn12 ZINC000587545304 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587545309 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000587545310 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000587545311 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(Cl)(Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000587545312 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587545314 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587545315 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587545317 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545357 KK Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545360 KK Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545362 KK Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545364 KK Annotated Bother Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587545414 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587545415 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587545416 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587545417 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545422 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545423 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545424 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545425 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12 ZINC000587545430 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12 ZINC000587545431 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12 ZINC000587545432 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12 ZINC000587545433 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545438 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545439 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545440 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545441 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545462 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545463 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545464 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545465 KK Annotated Anodyne Nc1c([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587545470 KK Annotated Bother Nc1c([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587545471 KK Annotated Bother Nc1c([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587545472 KK Annotated Bother Nc1c([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587545473 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(Br)cc12 ZINC000587545482 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(c1ccccc1)Oc1ccc(Br)cc12 ZINC000587545483 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(Br)cc12 ZINC000587545484 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(c1ccccc1)Oc1ccc(Br)cc12 ZINC000587545485 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545500 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545501 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587545502 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587545503 KK Annotated Anodyne Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587545531 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587545533 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587545536 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 ZINC000587545538 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587545546 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587545552 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587545553 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587545554 KK Annotated Reactive COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545591 KK Annotated Anodyne COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545596 KK Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545597 KK Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545598 KK Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545693 KK Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545694 KK Annotated Anodyne Cn1cc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545695 KK Annotated Anodyne Cn1cc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587545696 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000587545720 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000587545723 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000587545725 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc12 ZINC000587545727 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587545757 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587545777 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587545780 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587545782 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1 ZINC000587545805 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1 ZINC000587545807 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cc(Cl)c(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587545808 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1 ZINC000587545809 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Oc1cccc(C(F)(F)F)c1 ZINC000587545810 KK Annotated Bother CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587545811 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587545812 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587545813 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587545814 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cc(Cl)c(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587545821 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cc(Cl)c(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587545823 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cc(Cl)c(Cl)cc2Cl)[nH]c2ccccc12 ZINC000587545825 KK Annotated Anodyne Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587545855 KK Annotated Bother Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587545859 KK Annotated Bother Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587545861 KK Annotated Bother Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587545862 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccccc12 ZINC000587545884 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccccc12 ZINC000587545886 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccccc12 ZINC000587545888 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2cc(Cl)ccc2Cl)[nH]c2ccccc12 ZINC000587545890 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545902 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545903 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545904 KK Annotated Reactive CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545905 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(Cl)cc1Cl ZINC000587545906 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(Cl)cc1Cl ZINC000587545907 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(Cl)cc1Cl ZINC000587545908 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ccc(Cl)cc1Cl ZINC000587545909 KK Annotated Anodyne O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545926 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C(=O)Nc1ccccc1 ZINC000587545927 KK Annotated Reactive O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545928 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C(=O)Nc1ccccc1 ZINC000587545929 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587545930 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587545931 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587545932 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587545933 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587545955 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc(Br)cc2)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587545958 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(Br)cc1 ZINC000587545970 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(Br)cc1 ZINC000587545972 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(Br)cc1 ZINC000587545973 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(Br)cc1 ZINC000587545974 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000587545975 KK Annotated Anodyne CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545983 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000587545984 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000587545985 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1 ZINC000587545986 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545991 KK Annotated Anodyne CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545992 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587545993 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587545994 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545996 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545997 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CNc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000587545998 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12 ZINC000587546019 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12 ZINC000587546024 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12 ZINC000587546025 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccc(Br)cc12 ZINC000587546026 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587546032 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587546048 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587546050 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587546053 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546082 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546083 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546084 KK Annotated Anodyne Cc1ccncc1[C@]1(c2cncc(Br)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546085 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546086 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546087 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546088 KK Annotated Anodyne Cc1ccncc1[C@]1(c2cncc(Br)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546089 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000587546123 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccccc1 ZINC000587546125 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000587546127 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H](C(=O)O)c1ccc(Cl)cc1)c1ccccc1 ZINC000587546128 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587546141 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587546144 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587546145 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)cn1 ZINC000587546146 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587546198 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587546199 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 ZINC000587546206 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 ZINC000587546207 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 ZINC000587546208 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 ZINC000587546209 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587546242 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587546244 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587546246 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587546248 KK Annotated Reactive Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587546272 KK Annotated Anodyne Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587546281 KK Annotated Anodyne Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587546284 KK Annotated Anodyne Cn1c(Oc2cc(Cl)c(Cl)cc2Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587546285 KK Annotated Anodyne CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546305 KK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546307 KK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546310 KK Annotated Reactive CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546314 KK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546366 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546369 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546371 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546374 KK Annotated Anodyne O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587546392 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587546394 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587546396 KK Annotated Reactive O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O ZINC000587546397 KK Annotated Reactive COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546402 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546408 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546409 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546410 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546420 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546423 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546425 KK Annotated Anodyne Nc1c(Cl)cc(Cl)cc1C(=O)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546426 KK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546465 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546468 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546469 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546470 KK Annotated Bother C[C@@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546547 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546549 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546551 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546553 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000587546569 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(Br)cn1)c1ccc(Br)cn1 ZINC000587546571 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000587546572 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000587546573 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(Br)cn1)c1ccc(Br)cn1 ZINC000587546574 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000587546575 KK Annotated Reactive CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587546599 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(Cl)c1 ZINC000587546602 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546615 KK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546627 KK Annotated Reactive C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546628 KK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546629 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546630 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546631 KK Annotated Reactive COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546632 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546634 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546635 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546636 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546637 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546639 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546697 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546699 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587546702 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587546704 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546725 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546729 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546731 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587546732 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587546742 KK Annotated Reactive Nc1c([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587546743 KK Annotated Bother Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587546744 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587546745 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587546746 KK Annotated Reactive Nc1c([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587546747 KK Annotated Bother Nc1c([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587546749 KK Annotated Bother Nc1c([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2cc([N+](=O)[O-])ccc12 ZINC000587546750 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000587546776 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000587546779 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000587546781 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1 ZINC000587546782 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587546802 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587546803 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587546804 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587546805 KK Annotated Anodyne CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546844 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546847 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546848 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546849 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546850 KK Annotated Reactive CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546854 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546856 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546858 KK Annotated Reactive CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587546859 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587546860 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587546861 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587546862 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546904 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546924 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587546930 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587546935 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587546983 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587546984 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587546985 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587546986 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587546997 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587547002 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587547004 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000587547006 KK Annotated Reactive COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547020 KK Annotated Anodyne COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547024 KK Annotated Anodyne COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547027 KK Annotated Anodyne COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547028 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000587547045 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000587547046 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000587547047 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000587547048 KK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587547090 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587547091 KK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587547092 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587547093 KK Annotated Clean Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547103 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547105 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547107 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547109 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000587547133 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000587547135 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000587547138 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000587547140 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587547143 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587547144 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587547145 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587547146 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547147 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547150 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547152 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547155 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587547164 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587547168 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587547171 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587547173 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000587547174 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000587547196 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000587547197 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1 ZINC000587547200 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(Br)cc1O2 ZINC000587547224 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(Br)cc1O2 ZINC000587547242 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(Br)cc1O2 ZINC000587547245 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(Br)cc1O2 ZINC000587547248 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1C ZINC000587547257 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1C ZINC000587547260 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1C ZINC000587547261 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1C ZINC000587547264 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547294 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547298 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547300 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547302 KK Annotated Anodyne O=C(O)CCC1=COc2ccc(Br)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547303 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547304 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547305 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547307 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587547308 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587547309 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547314 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547315 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547316 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Br)ccc21 ZINC000587547317 KK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)nc12 ZINC000587547327 KK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)nc12 ZINC000587547329 KK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)nc12 ZINC000587547331 KK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)nc12 ZINC000587547333 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 ZINC000587547338 KK Annotated Anodyne Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547348 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 ZINC000587547351 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 ZINC000587547353 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(CC(=O)N2CCCC2)c2ccc(Br)cc12 ZINC000587547354 KK Annotated Anodyne Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547355 KK Annotated Reactive Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547356 KK Annotated Reactive Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl ZINC000587547357 KK Annotated Reactive Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547358 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547359 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547360 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547361 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587547435 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587547437 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587547439 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000587547441 KK Annotated Bother Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587547457 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587547460 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587547461 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587547462 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1c(Cl)cccc1Cl ZINC000587547467 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1c(Cl)cccc1Cl ZINC000587547468 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1c(Cl)cccc1Cl ZINC000587547469 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1c(Cl)cccc1Cl ZINC000587547470 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587547558 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587547560 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587547563 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587547567 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC000587547581 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC000587547584 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccn12 ZINC000587547586 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccn12 ZINC000587547587 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccn12 ZINC000587547588 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC000587547590 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccn12 ZINC000587547591 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1 ZINC000587547594 KK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547605 KK Annotated Anodyne O=Cc1ccc(OC[C@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547610 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000587547622 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000587547623 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000587547625 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000587547626 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547628 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547631 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547634 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547638 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587547750 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587547751 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587547752 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587547753 KK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587547782 KK Annotated Anodyne O=Cc1ccc(OC[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587547783 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547824 KK Annotated Bother O=C(O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547826 KK Annotated Bother O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547828 KK Annotated Bother O=C(O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547830 KK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000587547858 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000587547863 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000587547865 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(Cl)cccc1Cl ZINC000587547867 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547910 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547917 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587547918 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587547919 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1Cl ZINC000587547975 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1Cl ZINC000587547981 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1Cl ZINC000587547983 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccccc1Cl ZINC000587547986 KK Annotated Anodyne COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587548009 KK Annotated Reactive CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1Cl ZINC000587548015 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1Cl ZINC000587548016 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccccc1Cl ZINC000587548017 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccccc1Cl ZINC000587548018 KK Annotated Anodyne COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587548022 KK Annotated Reactive COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587548024 KK Annotated Reactive COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F ZINC000587548026 KK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccccc1Cl ZINC000587548028 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccccc1Cl ZINC000587548030 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587548033 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587548034 KK Annotated Mild Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587548039 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(C(F)(F)F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587548041 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587548042 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(C(F)(F)F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587548043 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548077 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548078 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548079 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548080 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548082 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548084 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548086 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548088 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C3=O ZINC000587548089 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C3=O ZINC000587548093 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C3=O ZINC000587548097 KK Annotated Anodyne CC1(C)c2cc(Br)ccc2-c2cc3c(cc21)[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C3=O ZINC000587548102 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587548111 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587548118 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587548121 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587548122 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548157 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548159 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548160 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548161 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(Br)cc(Br)cc12 ZINC000587548173 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1c(Br)cc(Br)cc12 ZINC000587548174 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1c(Br)cc(Br)cc12 ZINC000587548175 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1c(Br)cc(Br)cc12 ZINC000587548176 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccccc1Cl ZINC000587548256 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccccc1Cl ZINC000587548257 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587548319 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587548321 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587548323 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587548327 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1 ZINC000587548350 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1 ZINC000587548351 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1 ZINC000587548353 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1 ZINC000587548354 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc12 ZINC000587548356 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc12 ZINC000587548357 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc12 ZINC000587548358 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc12 ZINC000587548359 KK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587548373 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587548374 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587548376 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587548377 KK Annotated Bother COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587548379 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548381 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548382 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548383 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548384 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587548403 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587548405 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587548407 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Br)ccc1O2 ZINC000587548409 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548444 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587548455 KK Annotated Mild COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587548456 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587548458 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587548461 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587548462 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587548464 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587548465 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587548466 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587548468 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587548471 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 ZINC000587548473 KK Annotated Mild CN(C)/C=C\[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548502 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000587548507 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548508 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548509 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cc3c(cc2Br)OCCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548510 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000587548512 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000587548513 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 ZINC000587548514 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548528 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548532 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548535 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548537 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548542 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548545 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587548547 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587548548 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587548556 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587548561 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@](Cc2ccc(Cl)c(Cl)c2)([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587548565 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587548593 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587548601 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587548605 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587548611 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587548617 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587548619 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587548620 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587548623 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587548626 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1OCc1ccccc1Cl ZINC000587548628 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587548632 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548635 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587548636 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548642 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548644 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548645 KK Annotated Anodyne N#Cc1ccc(C[C@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548660 KK Annotated Mild N#Cc1ccc(C[C@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548661 KK Annotated Mild N#Cc1ccc(C[C@@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548662 KK Annotated Mild N#Cc1ccc(C[C@@]2(c3cccc(C(F)(F)F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548663 KK Annotated Mild Cn1cc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587548678 KK Annotated Reactive Cn1cc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587548679 KK Annotated Reactive Cn1cc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587548680 KK Annotated Reactive Cn1cc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 ZINC000587548681 KK Annotated Reactive CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548702 KK Annotated Anodyne O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587548707 KK Annotated Reactive CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587548708 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548709 KK Annotated Anodyne O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587548710 KK Annotated Reactive CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587548711 KK Annotated Anodyne O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587548712 KK Annotated Reactive O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587548714 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2ccccn12 ZINC000587548771 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2ccccn12 ZINC000587548774 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2ccccn12 ZINC000587548776 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2ccccn12 ZINC000587548788 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548807 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548811 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587548812 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587548813 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548814 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548815 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587548819 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587548821 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000587548822 KK Annotated Bother CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587548823 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587548825 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587548826 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587548827 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000587548830 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000587548833 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(COc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000587548836 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587548844 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587548848 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587548850 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587548853 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548860 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548862 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587548864 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548865 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548867 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587548868 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587548870 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587548871 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000587548872 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000587548874 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000587548875 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000587548877 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000587548879 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587548881 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587548883 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn(C(=O)OC(C)(C)C)c12 ZINC000587548885 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000587548889 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548890 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000587548893 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000587548896 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000587548898 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587548900 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548901 KK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1Cl ZINC000587548903 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548904 KK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1Cl ZINC000587548905 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548906 KK Annotated Reactive COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1Cl ZINC000587548907 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587548908 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccccc1Cl ZINC000587548909 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587548910 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587548913 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548917 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)s1 ZINC000587548925 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)s1 ZINC000587548927 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548928 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)s1 ZINC000587548932 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548933 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)s1 ZINC000587548935 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548937 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587548968 KK Annotated Anodyne C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548970 KK Annotated Mild COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587548971 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587548974 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587548976 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548977 KK Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548978 KK Annotated Mild Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548982 KK Annotated Anodyne C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548984 KK Annotated Mild C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548986 KK Annotated Mild Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587548987 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587548992 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cl ZINC000587549053 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cl ZINC000587549055 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cl ZINC000587549056 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(-c2ccc(C(F)(F)F)cc2)nc1Cl ZINC000587549057 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587549058 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587549059 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587549060 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587549061 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000587549110 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000587549111 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000587549112 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2o1)c1ccc(C(F)(F)F)cc1 ZINC000587549113 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000587549114 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000587549116 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000587549117 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000587549118 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000587549202 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000587549206 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000587549207 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000587549209 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587549243 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587549246 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587549248 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587549250 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549268 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549270 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549272 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549274 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000587549290 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000587549292 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000587549294 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000587549296 KK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549318 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549320 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549322 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1OCc1ccccc1Cl ZINC000587549323 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(Br)cc(Br)cc2c1=O ZINC000587549342 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(Br)cc(Br)cc2c1=O ZINC000587549346 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(Br)cc(Br)cc2c1=O ZINC000587549348 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(Br)cc(Br)cc2c1=O ZINC000587549350 KK Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c([C@@]3(c4ccc(Cl)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2)c1N ZINC000587549380 KK Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c([C@]3(c4ccc(Cl)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(Cl)c2)c1N ZINC000587549385 KK Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c([C@]3(c4ccc(Cl)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2)c1N ZINC000587549387 KK Annotated Anodyne NC(=O)c1nnn(Cc2cc(Cl)c([C@@]3(c4ccc(Cl)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(Cl)c2)c1N ZINC000587549389 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587549466 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549476 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549477 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549478 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 ZINC000587549479 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587549483 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587549485 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587549489 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549492 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549500 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549505 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000587549508 KK Annotated Mild Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549509 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000587549512 KK Annotated Mild CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000587549514 KK Annotated Mild CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(C#N)c(C(F)(F)F)cc21 ZINC000587549516 KK Annotated Mild C[C@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549550 KK Annotated Anodyne C[C@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549561 KK Annotated Anodyne C[C@@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549563 KK Annotated Anodyne C[C@@]1(c2cccc(N3COc4ccc(Br)cc4C3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549565 KK Annotated Anodyne CN(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(Br)cc1 ZINC000587549576 KK Annotated Anodyne CN(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(Br)cc1 ZINC000587549596 KK Annotated Anodyne CN(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(Br)cc1 ZINC000587549598 KK Annotated Anodyne CN(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1-c1ccc(Br)cc1 ZINC000587549600 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000587549622 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000587549623 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000587549624 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000587549625 KK Annotated Anodyne O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587549648 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587549649 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587549650 KK Annotated Clean O=C1C(=O)[C@H]([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587549651 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2nc(O)oc2c1 ZINC000587549688 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2nc(O)oc2c1 ZINC000587549689 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2nc(O)oc2c1 ZINC000587549690 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1ccc2nc(O)oc2c1 ZINC000587549691 KK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)cc12 ZINC000587549719 KK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)cc12 ZINC000587549720 KK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)cc12 ZINC000587549722 KK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(Br)cc3)cc12 ZINC000587549724 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549732 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549734 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549736 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(Br)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549737 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587549738 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587549744 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587549746 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587549748 KK Annotated Reactive CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@@]1(c2cnoc2C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549761 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@@]1(c2cnoc2C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549762 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@]1(c2cnoc2C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549763 KK Annotated Anodyne CS(=O)(=O)c1cc(C(F)(F)F)ccc1[C@]1(c2cnoc2C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549764 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549800 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587549801 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587549802 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587549803 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549804 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C1CCN(C(=O)C(F)(F)F)CC1 ZINC000587549805 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549806 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000587549807 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549808 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000587549811 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000587549812 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000587549814 KK Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(Br)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549817 KK Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(Br)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549820 KK Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587549822 KK Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(Br)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587549824 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(Br)cc1 ZINC000587549900 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(Br)cc1 ZINC000587549901 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(Br)cc1 ZINC000587549902 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(Br)cc1 ZINC000587549903 KK Annotated Anodyne CC(C)(Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587549936 KK Annotated Anodyne CC(C)(Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587549937 KK Annotated Anodyne CC(C)(Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587549938 KK Annotated Anodyne CC(C)(Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O ZINC000587549939 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587549950 KK Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587549951 KK Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587549952 KK Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587549953 KK Annotated Bother COC(=O)[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000587549954 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000587549955 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000587549956 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(Cl)cc1 ZINC000587549957 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)c(C)c2O1 ZINC000587549994 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)c(C)c2O1 ZINC000587549995 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)c(C)c2O1 ZINC000587549996 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)c(C)c2O1 ZINC000587549997 KK Annotated Anodyne N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(Br)cc2)n1 ZINC000587550016 KK Annotated Mild N#CCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(Br)cc2)n1 ZINC000587550017 KK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccc(Br)cc2)n1 ZINC000587550018 KK Annotated Mild N#CCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccc(Br)cc2)n1 ZINC000587550019 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(Br)cc(Br)cc12 ZINC000587550064 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(Br)cc(Br)cc12 ZINC000587550077 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(Br)cc(Br)cc12 ZINC000587550079 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(Br)cc(Br)cc12 ZINC000587550081 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587550090 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587550096 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587550099 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587550102 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550105 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587550107 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550109 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccc(C(F)(F)F)cc2)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587550111 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000587550113 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000587550114 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ncccc2C(F)(F)F)c2ccccc12 ZINC000587550131 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ncccc2C(F)(F)F)c2ccccc12 ZINC000587550134 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ncccc2C(F)(F)F)c2ccccc12 ZINC000587550136 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ncccc2C(F)(F)F)c2ccccc12 ZINC000587550137 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587550142 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587550143 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587550144 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000587550145 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000587550150 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000587550151 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000587550152 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 ZINC000587550153 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550170 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550171 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550172 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550173 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550174 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550175 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550176 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550177 KK Annotated Anodyne C[C@@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550186 KK Annotated Bother C[C@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550187 KK Annotated Bother C[C@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550188 KK Annotated Bother C[C@@]1(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550189 KK Annotated Bother COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587550274 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587550275 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587550276 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587550277 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc12 ZINC000587550324 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc12 ZINC000587550325 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc12 ZINC000587550326 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc12 ZINC000587550327 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000587550340 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000587550341 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000587550342 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000587550343 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587550352 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587550353 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587550354 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000587550355 KK Annotated Mild COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587550373 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587550375 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587550377 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587550380 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587550462 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587550463 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587550464 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1cc(Cl)c1[nH]c3c([nH]c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c13 ZINC000587550465 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccn2c1=O ZINC000587550487 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccn2c1=O ZINC000587550489 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccn2c1=O ZINC000587550492 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(N2CCN(c3cccc(Cl)c3)CC2)nc2ccccn2c1=O ZINC000587550494 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587550536 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587550537 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587550538 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O)cc1 ZINC000587550539 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587550552 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587550553 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587550554 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587550555 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587550572 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587550573 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587550574 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587550575 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000587550608 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000587550609 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000587550610 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 ZINC000587550611 KK Annotated Anodyne CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587550616 KK Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587550617 KK Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587550618 KK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587550619 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1[C@@H](C(=O)[C@H]3O[C@H]32)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587550626 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@@H]1[C@H](C(=O)[C@H]3O[C@H]32)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587550627 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587550628 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1O[C@@H]1C(=O)[C@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587550629 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587550634 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587550635 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587550636 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc(C(F)(F)F)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587550637 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550676 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587550677 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550678 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587550679 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000587550714 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000587550715 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000587550717 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000587550719 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(Cl)c1 ZINC000587550737 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000587550742 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(Cl)c1 ZINC000587550743 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H](C(=O)O)c1cccc(Cl)c1)c1ccc(Cl)cc1 ZINC000587550744 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587550821 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587550826 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587550830 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587550831 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587550832 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587550833 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Cl)ccc1O2 ZINC000587550854 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Cl)ccc1O2 ZINC000587550855 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(Cl)ccc1O2 ZINC000587550856 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(Cl)ccc1O2 ZINC000587550857 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587550886 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587550887 KK Annotated Anodyne C[C@@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551032 KK Annotated Mild C[C@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551033 KK Annotated Mild C[C@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551034 KK Annotated Mild C[C@@]1(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551035 KK Annotated Mild O=C(O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587551040 KK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587551041 KK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587551042 KK Annotated Anodyne O=C(O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(C(F)(F)F)c1 ZINC000587551043 KK Annotated Anodyne COC1=C[C@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551152 KK Annotated Anodyne COC1=C[C@@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551153 KK Annotated Anodyne COC1=C[C@@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551154 KK Annotated Anodyne COC1=C[C@]2(C[C@@H](C)[C@]13Oc1c(Cl)c(OC)cc(OC)c1C3=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551155 KK Annotated Anodyne Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551164 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551165 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551166 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551167 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1C(F)(F)F ZINC000587551184 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1C(F)(F)F ZINC000587551185 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1C(F)(F)F ZINC000587551186 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1C(F)(F)F ZINC000587551187 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(C(F)(F)F)c(Br)cc12 ZINC000587551204 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(C(F)(F)F)c(Br)cc12 ZINC000587551205 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2cc(C(F)(F)F)c(Br)cc12 ZINC000587551206 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2cc(C(F)(F)F)c(Br)cc12 ZINC000587551207 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587551220 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587551221 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587551222 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587551223 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551240 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551241 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551242 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587551243 KK Annotated Reactive COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587551244 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587551245 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587551246 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587551247 KK Annotated Mild CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587551256 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587551257 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587551258 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587551259 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587551260 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587551261 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587551262 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587551263 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000587551268 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000587551269 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000587551270 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccnc2ccccc12)c1ccc(C(F)(F)F)cc1 ZINC000587551271 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587551286 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587551288 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587551290 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587551292 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000587551302 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000587551305 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000587551307 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 ZINC000587551309 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551324 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551326 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551327 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551328 KK Annotated Mild CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587551493 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587551494 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587551495 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587551496 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587551521 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587551522 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587551523 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]1C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587551524 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Cl)cc2O1 ZINC000587551525 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Cl)cc2O1 ZINC000587551526 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Cl)cc2O1 ZINC000587551527 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Cl)cc2O1 ZINC000587551528 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587551553 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587551554 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587551555 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587551556 KK Annotated Mild C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551581 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587551582 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551583 KK Annotated Anodyne C[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587551584 KK Annotated Anodyne COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551829 KK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551830 KK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551831 KK Annotated Mild COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551832 KK Annotated Mild O=C1c2c(Cl)ccc(Cl)c2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(Cl)ccc(Cl)c21 ZINC000587551877 KK Annotated Anodyne O=C1c2c(Cl)ccc(Cl)c2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(Cl)ccc(Cl)c21 ZINC000587551878 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1cc(Cl)cc(Cl)c1Oc1cc(O)cc(O)c12 ZINC000587551879 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1cc(Cl)cc(Cl)c1Oc1cc(O)cc(O)c12 ZINC000587551880 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1cc(Cl)cc(Cl)c1Oc1cc(O)cc(O)c12 ZINC000587551881 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1cc(Cl)cc(Cl)c1Oc1cc(O)cc(O)c12 ZINC000587551882 KK Annotated Anodyne O=C(CC(=O)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccc(Cl)cc1 ZINC000587551927 KK Annotated Anodyne O=C(CC(=O)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccc(Cl)cc1 ZINC000587551928 KK Annotated Anodyne O=C(CC(=O)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccc(Cl)cc1 ZINC000587551929 KK Annotated Anodyne O=C(CC(=O)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccc(Cl)cc1 ZINC000587551930 KK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551935 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551936 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587551937 KK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2cncn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587551938 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587551987 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587551988 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587551989 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(Cl)c3[nH]c4c([nH]c3c21)c(Cl)cc1c(=O)c2ccccc2c(=O)c14 ZINC000587551990 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000587551999 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000587552000 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000587552001 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000587552002 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2oc1=O ZINC000587552233 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2oc1=O ZINC000587552234 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2oc1=O ZINC000587552235 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2oc1=O ZINC000587552236 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587552253 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587552254 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587552255 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587552256 KK Annotated Mild CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552349 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552350 KK Annotated Anodyne CC(C)(C)[C@]1([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552351 KK Annotated Anodyne CC(C)(C)[C@]1([C@H](Oc2ccc(Cl)cc2)n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552352 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587552450 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587552451 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587552453 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587552455 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1 ZINC000587552518 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1 ZINC000587552521 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1 ZINC000587552523 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1 ZINC000587552525 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F ZINC000587552549 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F ZINC000587552553 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F ZINC000587552555 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F ZINC000587552556 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587552711 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587552714 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587552715 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587552716 KK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552722 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552723 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552724 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552726 KK Annotated Anodyne O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587552752 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587552753 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587552754 KK Annotated Clean O=C1C(=O)[C@H](C2CCC(c3ccc(Cl)cc3)CC2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587552755 KK Annotated Clean Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552889 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552896 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587552897 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587552899 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587553043 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587553053 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587553054 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587553057 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587553068 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587553069 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587553070 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587553071 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553150 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553154 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553157 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553159 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000587553258 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000587553285 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000587553289 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(Br)c1)c1ccc(F)c(F)c1 ZINC000587553292 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587553320 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587553321 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587553322 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587553323 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553351 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553354 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553355 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553357 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587553456 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587553463 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587553464 KK Annotated Mild Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587553467 KK Annotated Mild O=C(O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)ccc1F ZINC000587553488 KK Annotated Bother O=C(O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)ccc1F ZINC000587553492 KK Annotated Bother O=C(O)c1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)ccc1F ZINC000587553494 KK Annotated Bother O=C(O)c1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)ccc1F ZINC000587553495 KK Annotated Bother COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587553502 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587553503 KK Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587553504 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587553505 KK Annotated Mild CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553546 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553549 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553551 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553552 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587553741 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587553742 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587553743 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Cl)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587553744 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1ccccc1)Oc1c(Cl)cc(Cl)cc12 ZINC000587553794 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1ccccc1)Oc1c(Cl)cc(Cl)cc12 ZINC000587553799 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1ccccc1)Oc1c(Cl)cc(Cl)cc12 ZINC000587553801 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1ccccc1)Oc1c(Cl)cc(Cl)cc12 ZINC000587553802 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553935 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553938 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587553941 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc(C=O)cc3F)cccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587553943 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587554273 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587554275 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587554277 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587554281 KK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1F ZINC000587554400 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1F ZINC000587554402 KK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1F ZINC000587554404 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1F ZINC000587554406 KK Annotated Clean O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Nc1ccc(Cl)cc1 ZINC000587554468 KK Annotated Anodyne O=C(COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Nc1ccc(Cl)cc1 ZINC000587554482 KK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Nc1ccc(Cl)cc1 ZINC000587554484 KK Annotated Anodyne O=C(COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Nc1ccc(Cl)cc1 ZINC000587554485 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(Cc1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000587554512 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(Cc1ncc(C(F)(F)F)cc1Cl)CC2 ZINC000587554517 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1cccc(Cl)c1 ZINC000587554563 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1cccc(Cl)c1 ZINC000587554565 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1cccc(Cl)c1 ZINC000587554567 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1cccc(Cl)c1 ZINC000587554568 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587554790 KK Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587554793 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587554794 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587554795 KK Annotated Mild O=C(Nc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F)OCc1ccccc1 ZINC000587554805 KK Annotated Anodyne O=C(Nc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F)OCc1ccccc1 ZINC000587554807 KK Annotated Anodyne O=C(Nc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F)OCc1ccccc1 ZINC000587554808 KK Annotated Anodyne O=C(Nc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F)OCc1ccccc1 ZINC000587554809 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)c1ccccc1 ZINC000587554822 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)c1ccccc1 ZINC000587554828 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)c1ccccc1 ZINC000587554830 KK Annotated Anodyne CCN(C(=O)[C@@H]1C(=O)N(C)c2cccc(Cl)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)c1ccccc1 ZINC000587554831 KK Annotated Anodyne O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Oc1c(F)c(F)c(F)c(F)c1F ZINC000587554902 KK Annotated Unstable O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)Oc1c(F)c(F)c(F)c(F)c1F ZINC000587554919 KK Annotated Unstable O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Oc1c(F)c(F)c(F)c(F)c1F ZINC000587554921 KK Annotated Unstable O=C(CCOCCOCCOCCOCCNC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)Oc1c(F)c(F)c(F)c(F)c1F ZINC000587554924 KK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Br)c1Cl ZINC000587555012 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Br)c1Cl ZINC000587555014 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Br)c1Cl ZINC000587555017 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Br)c1Cl ZINC000587555018 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000587555120 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000587555121 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000587555123 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000587555124 KK Annotated Bother CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555132 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587555133 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555134 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587555135 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587555183 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587555198 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587555200 KK Annotated Anodyne CCCC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587555202 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555295 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555311 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555313 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555316 KK Annotated Reactive CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555327 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555334 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555337 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555342 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587555343 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587555345 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587555346 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587555349 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1OC(F)F ZINC000587555368 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1OC(F)F ZINC000587555370 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1OC(F)F ZINC000587555372 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1OC(F)F ZINC000587555375 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587555438 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587555439 KK Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587555440 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587555441 KK Annotated Mild O=C(Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(F)c(F)c1 ZINC000587555588 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(F)c(F)c1 ZINC000587555591 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(F)c(F)c1 ZINC000587555592 KK Annotated Anodyne O=C(Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(F)c(F)c1 ZINC000587555593 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587555632 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587555635 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587555638 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587555639 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1c(F)cccc1Cl ZINC000587555653 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1c(F)cccc1Cl ZINC000587555656 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1c(F)cccc1Cl ZINC000587555659 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1c(F)cccc1Cl ZINC000587555661 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Br)ccc1F ZINC000587555690 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Br)ccc1F ZINC000587555695 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Br)ccc1F ZINC000587555697 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Br)ccc1F ZINC000587555699 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000587555724 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000587555725 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000587555727 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000587555729 KK Annotated Reactive CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555753 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555754 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555756 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555758 KK Annotated Anodyne CC1(C)C([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587555774 KK Annotated Anodyne CC1(C)C([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C ZINC000587555778 KK Annotated Anodyne CC1(C)C([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587555781 KK Annotated Anodyne CC1(C)C([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C ZINC000587555783 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C ZINC000587555815 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C ZINC000587555816 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C ZINC000587555818 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(F)(F)F)nn1C ZINC000587555819 KK Annotated Anodyne COc1cc(-c2nn(CCC#N)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587555820 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587555825 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587555826 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587555827 KK Annotated Mild CC(C)(C)OC(=O)N[C@H]1C[C@@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587555905 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587555910 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587555911 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1C[C@]2(CO[C@@H]1c1cc(F)ccc1F)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587555912 KK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555930 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555931 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555932 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587555933 KK Annotated Reactive O=C(O)c1ccccc1SC[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555970 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587555975 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555976 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587555977 KK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1F ZINC000587556212 KK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1F ZINC000587556213 KK Annotated Bother O=C(O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1F ZINC000587556214 KK Annotated Bother O=C(O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c([N+](=O)[O-])c2)cc1F ZINC000587556216 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)c(F)c(F)c(F)c1F ZINC000587556293 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)c(F)c(F)c(F)c1F ZINC000587556300 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)c(F)c(F)c(F)c1F ZINC000587556303 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)c(F)c(F)c(F)c1F ZINC000587556305 KK Annotated Reactive COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587556318 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587556323 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587556326 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587556328 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCc1ccccc1)[C@H](C(F)(F)F)C2 ZINC000587556340 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCc1ccccc1)[C@H](C(F)(F)F)C2 ZINC000587556344 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCc1ccccc1)[C@@H](C(F)(F)F)C2 ZINC000587556345 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCc1ccccc1)[C@@H](C(F)(F)F)C2 ZINC000587556347 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1SCc1ccccc1Cl ZINC000587556445 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1SCc1ccccc1Cl ZINC000587556448 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1SCc1ccccc1Cl ZINC000587556451 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1SCc1ccccc1Cl ZINC000587556452 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)-c2nc3nc(O)nc(O)c3cc2CC1 ZINC000587556594 KK Annotated Clean CC(C)(C)c1[nH]c2c(Nc3ccc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3F)cccc2c1C=O ZINC000587556679 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3F)cccc2c1C=O ZINC000587556681 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3F)cccc2c1C=O ZINC000587556684 KK Annotated Anodyne CC(C)(C)c1[nH]c2c(Nc3ccc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3F)cccc2c1C=O ZINC000587556687 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587556820 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587556825 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587556826 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587556829 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587556830 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587556832 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587556834 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587556835 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587556837 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587556839 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587556842 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587556844 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1cccc(C(F)(F)F)c1 ZINC000587556848 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1cccc(C(F)(F)F)c1 ZINC000587556856 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1cccc(C(F)(F)F)c1 ZINC000587556859 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1cccc(C(F)(F)F)c1 ZINC000587556861 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587557068 KK Annotated Mild COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587557070 KK Annotated Mild COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587557072 KK Annotated Mild C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557073 KK Annotated Bother COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587557075 KK Annotated Mild C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557082 KK Annotated Bother C[C@@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557084 KK Annotated Bother C[C@]1(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557085 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2n1C(F)F)c1cccs1 ZINC000587557093 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1nc2ccccc2n1C(F)F)c1cccs1 ZINC000587557096 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2n1C(F)F)c1cccs1 ZINC000587557099 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1nc2ccccc2n1C(F)F)c1cccs1 ZINC000587557102 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587557150 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587557151 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587557152 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(F)cccc1Cl ZINC000587557153 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Br)c1 ZINC000587557154 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Br)c1 ZINC000587557155 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Br)c1 ZINC000587557156 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Br)c1 ZINC000587557157 KK Annotated Reactive Nc1sc2c(c1[C@]1(c3ccc(Cl)c(F)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587557195 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)c(F)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587557196 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(F)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587557197 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(F)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587557198 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557236 KK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557237 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557238 KK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557240 KK Annotated Anodyne COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587557282 KK Annotated Reactive COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587557283 KK Annotated Reactive COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587557284 KK Annotated Reactive COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F ZINC000587557285 KK Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587557331 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587557332 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587557333 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587557334 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(F)c1 ZINC000587557343 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(F)c1 ZINC000587557344 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(F)c1 ZINC000587557345 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(F)c1 ZINC000587557346 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587557363 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587557364 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587557365 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587557366 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587557371 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587557372 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587557373 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587557375 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587557393 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587557394 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587557397 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587557400 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557478 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557480 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557481 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557483 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(SC(F)(F)F)c1 ZINC000587557527 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(SC(F)(F)F)c1 ZINC000587557530 KK Annotated Reactive C[C@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557593 KK Annotated Bother C[C@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557594 KK Annotated Bother C[C@@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557595 KK Annotated Bother C[C@@]1(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557596 KK Annotated Bother CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557616 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557617 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587557618 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587557619 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587557629 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587557635 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587557637 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587557639 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1cc(Br)ccc1F)c1cc(Br)ccc1F ZINC000587557667 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1cc(Br)ccc1F)c1cc(Br)ccc1F ZINC000587557669 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1cc(Br)ccc1F)c1cc(Br)ccc1F ZINC000587557670 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1cc(Br)ccc1F)c1cc(Br)ccc1F ZINC000587557671 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(SC(F)(F)F)c1 ZINC000587557703 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(SC(F)(F)F)c1 ZINC000587557704 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587557765 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587557766 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587557767 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587557768 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(F)cc1 ZINC000587557777 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(F)cc1 ZINC000587557778 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(F)cc1 ZINC000587557779 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(F)cc1 ZINC000587557780 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587557793 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587557794 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587557795 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc12 ZINC000587557796 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587557835 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587557836 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F ZINC000587557837 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F ZINC000587557838 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1cccc(C(F)(F)F)c1 ZINC000587558084 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1cccc(C(F)(F)F)c1 ZINC000587558088 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1cccc(C(F)(F)F)c1 ZINC000587558089 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1cccc(C(F)(F)F)c1 ZINC000587558090 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(OC(F)F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587558095 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(OC(F)F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587558096 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(OC(F)F)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587558097 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(OC(F)F)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587558098 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1Cl ZINC000587558205 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1Cl ZINC000587558206 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1Cl ZINC000587558207 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccc(Cl)cc1Cl ZINC000587558208 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 ZINC000587558247 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 ZINC000587558248 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 ZINC000587558249 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2nc(C(F)F)c(Br)c2C(F)F)o1 ZINC000587558250 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br ZINC000587558251 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br ZINC000587558252 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br ZINC000587558253 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br ZINC000587558254 KK Annotated Reactive CN1CCC([C@]2(c3cccc(NC(=O)c4c(F)cc(F)cc4F)n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587558385 KK Annotated Anodyne CN1CCC([C@]2(c3cccc(NC(=O)c4c(F)cc(F)cc4F)n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587558389 KK Annotated Anodyne CN1CCC([C@@]2(c3cccc(NC(=O)c4c(F)cc(F)cc4F)n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587558391 KK Annotated Anodyne CN1CCC([C@@]2(c3cccc(NC(=O)c4c(F)cc(F)cc4F)n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587558392 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2cc3c(O)nc(O)nc3nc2-c2ccc(C3CCCCC3)cc2)c2ccccc21 ZINC000587558405 KK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2cc3c(O)nc(O)nc3nc2-c2ccc(C3CCCCC3)cc2)c2ccccc21 ZINC000587558408 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1c(F)cccc1Cl ZINC000587558423 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1c(F)cccc1Cl ZINC000587558424 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1c(F)cccc1Cl ZINC000587558425 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1c(F)cccc1Cl ZINC000587558426 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000587558453 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000587558455 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000587558456 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1OCc1c(F)cccc1Cl ZINC000587558457 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1 ZINC000587558550 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1 ZINC000587558551 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1 ZINC000587558552 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1 ZINC000587558553 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(Br)c1F ZINC000587558684 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(Br)c1F ZINC000587558685 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(Br)c1F ZINC000587558686 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(Br)c1F ZINC000587558688 KK Annotated Reactive COc1ccc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587558794 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F ZINC000587558795 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587558796 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F ZINC000587558799 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1F ZINC000587558909 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1F ZINC000587558910 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1F ZINC000587558911 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1F ZINC000587558912 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 ZINC000587558974 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 ZINC000587558977 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 ZINC000587558978 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2nc(C3CC3)cc(C(F)(F)F)n2)cc1 ZINC000587558979 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccccc1C(F)(F)F ZINC000587558985 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccccc1C(F)(F)F ZINC000587558987 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Oc1ccccc1C(F)(F)F ZINC000587558988 KK Annotated Anodyne Cn1nc(C(F)(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Oc1ccccc1C(F)(F)F ZINC000587558989 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587559034 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587559035 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587559036 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(=O)n(Cc2c(F)cccc2Cl)c1 ZINC000587559037 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Br)ccc(Cl)c1F ZINC000587559139 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Br)ccc(Cl)c1F ZINC000587559140 KK Annotated Reactive CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587559170 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587559171 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587559172 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OC(F)F ZINC000587559173 KK Annotated Anodyne Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587559186 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587559188 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587559189 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587559190 KK Annotated Reactive CC(C)(C(=O)O)c1ccc(-c2nc3nc(O)nc(O)c3cc2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587559290 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Br)ccc(Cl)c1F ZINC000587559324 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Br)ccc(Cl)c1F ZINC000587559326 KK Annotated Reactive COc1ccc(Br)c(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587559354 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587559355 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587559356 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2F)c1 ZINC000587559358 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1Cl ZINC000587559624 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1Cl ZINC000587559625 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1Cl ZINC000587559626 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc2c(c1)OCCO2)c1c(F)cccc1Cl ZINC000587559627 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1F ZINC000587559832 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1F ZINC000587559833 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1F ZINC000587559834 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1F ZINC000587559835 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000587559860 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000587559861 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000587559862 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1c(F)cccc1Cl)c1ccccc1Br ZINC000587559863 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)Cc4cc5c(O)nc(O)nc5nc4C(C)(C)[C@@H]3CC[C@]12C ZINC000587560131 KK Annotated Anodyne CCCCCCCCCCCCCc1nc2nc(O)nc(O)c2cc1CCCCCCCCCCCC ZINC000587560778 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@@]21C ZINC000587560789 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H](c3ccc4c(O)nc(O)nc4n3)[C@@]12C ZINC000587560791 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)c3nc4nc(O)nc(O)c4cc3CC2(C)C)C(C)(C)CCC1=O ZINC000587560836 KK 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=C/C2=C(C)c3nc4nc(O)nc(O)c4cc3CC2(C)C)C(C)(C)CCC1=O ZINC000587560838 KK 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=C\C2=C(C)c3nc4nc(O)nc(O)c4cc3CC2(C)C)C(C)(C)CCC1=O ZINC000587560839 KK 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=C\C2=C(C)c3nc4nc(O)nc(O)c4cc3CC2(C)C)C(C)(C)CCC1=O ZINC000587560840 KK Annotated Mild CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587560861 KK Annotated Anodyne CCCCCCCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1CC(=O)c1ccccc1 ZINC000587560976 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 ZINC000587561011 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2ccc3c(O)nc(O)nc3n2)c1O ZINC000587561041 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c(-c2ccc3c(O)nc(O)nc3n2)c1O ZINC000587561043 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)c1ccc2c(O)nc(O)nc2n1 ZINC000587561274 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 ZINC000587561283 KK Annotated Anodyne CCCCCCCCCCCCCCCc1nc2nc(O)nc(O)c2cc1CCCCCCCCCCCCCC ZINC000587561336 KK Annotated Mild CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)Cc2cc4c(O)nc(O)nc4nc2C(C)(C)[C@@H]1CC3 ZINC000587561518 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]12C ZINC000587561571 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4c5cc6c(O)nc(O)nc6nc5CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000587561602 KK Annotated Anodyne C[C@]12Cc3cc4c(O)nc(O)nc4nc3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]12 ZINC000587561619 KK Annotated Anodyne C[C@H]1c2nc3nc(O)nc(O)c3cc2C[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 ZINC000587561847 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@H]4[C@H]3CC[C@]12C ZINC000587561874 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587561878 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 ZINC000587562064 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587562079 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4c5cc6c(O)nc(O)nc6nc5C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000587562087 KK Annotated Anodyne CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=Cc5nc6nc(O)nc(O)c6cc5C[C@]4(C)[C@H]3CC[C@]12C ZINC000587562112 KK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4cc5c(O)nc(O)nc5nc4C(C)(C)[C@@H]2CC[C@]13C ZINC000587562263 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)Cc4cc5c(O)nc(O)nc5nc4C(C)(C)[C@H]2CC[C@]13C ZINC000587562264 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6cc7c(O)nc(O)nc7nc6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587562339 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2c2cc4c(O)nc(O)nc4nc2[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587562446 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@@H](C)CC[C@]3(Cc4cc5c(O)nc(O)nc5nc4[C@H]32)[C@@H](C)[C@@H]1O ZINC000587562467 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(Cc4cc5c(O)nc(O)nc5nc4[C@H]32)[C@@H](C)[C@@H]1O ZINC000587562468 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4cc5c(O)nc(O)nc5nc4[C@H]32)[C@@H](C)[C@@H]1O ZINC000587562547 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(Cc4cc5c(O)nc(O)nc5nc4[C@H]32)[C@@H](C)[C@@H]1O ZINC000587562548 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COCC(=O)O)[nH]c21 ZINC000587562696 KK Annotated Clean CC(C)C[C@@H]1C2=C(Oc3cc(O)c(-c4nc5nc(O)nc(O)c5cc4C(C)C)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587562786 KK Annotated Mild CC(C)C[C@H]1C2=C(Oc3cc(O)c(-c4nc5nc(O)nc(O)c5cc4C(C)C)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587562788 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC(=O)COC)[nH]c21 ZINC000587562842 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COCC(=O)O)[nH]c3cc21 ZINC000587562869 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC(=O)COC)[nH]c3cc21 ZINC000587562991 KK Annotated Clean Cc1cccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1C ZINC000587563310 KK Annotated Bother CCC[C@@H]1CC2=Cc3nc4nc(O)nc(O)c4cc3C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21 ZINC000587563395 KK Annotated Anodyne COc1cc(C)ccc1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587563438 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(C)cc3OC)[nH]c21 ZINC000587563746 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(C(C)(C)CC)cc3)[nH]c21 ZINC000587563750 KK Annotated Clean CCC(C)(C)c1ccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587563752 KK Annotated Bother COc1cc(C)ccc1OCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587563846 KK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587563869 KK Annotated Anodyne C#CCOc1ccc(-c2nc3c4c(ccc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587564061 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3cccc(C)c3C)[nH]c21 ZINC000587564150 KK Annotated Clean CCCCCCCCOc1cc2nc(COc3ccc(C(C)(C)CC)cc3)[nH]c2cc1Br ZINC000587564212 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(C)cc4OC)[nH]c3cc21 ZINC000587564225 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4cccc(C)c4C)[nH]c3cc21 ZINC000587564464 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(C(C)(C)CC)cc4)[nH]c3cc21 ZINC000587564672 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4cccc(C)c4C)[nH]c3cc21 ZINC000587564769 KK Annotated Anodyne CCCCCCc1cc2c(O)nc(O)nc2nc1-c1cc2c(Br)sc(Br)c2s1 ZINC000587564877 KK Annotated Anodyne Cc1cc(C)cc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587564976 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4cc(C)cc(C)c4)[nH]c3cc21 ZINC000587565024 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3cc(C)cc(C)c3)[nH]c21 ZINC000587565088 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4cc(C)cc(C)c4)[nH]c3cc21 ZINC000587565123 KK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587565153 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3ccc(C)cc3)[nH]c21 ZINC000587565398 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4ccc(C)cc4)[nH]c3cc21 ZINC000587565498 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4cccc(OCC(C)C)c4)[nH]c3cc21 ZINC000587565529 KK Annotated Clean CCC(C)(C)c1ccc(OCc2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587565561 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOCc4ccccc4)[nH]c3cc21 ZINC000587565722 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COc4ccc(C)cc4)[nH]c3cc21 ZINC000587565847 KK Annotated Clean CC(C)COc1cccc(OCc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587565857 KK Annotated Anodyne CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587565924 KK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587566030 KK Annotated Bother CCCCCCCCOc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Br ZINC000587566090 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COc4cccc(OCC(C)C)c4)[nH]c3cc21 ZINC000587566097 KK Annotated Anodyne CC(C)COc1cccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587566107 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COc3cccc(OCC(C)C)c3)[nH]c21 ZINC000587566130 KK Annotated Clean CC(C)COc1cccc(OCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587566149 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOc4ccc(C=O)cc4)[nH]c3cc21 ZINC000587566243 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOCc3ccccc3)[nH]c21 ZINC000587566359 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOc3ccc(C=O)cc3)[nH]c21 ZINC000587566371 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCOCc4ccccc4)[nH]c3cc21 ZINC000587566430 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCOc4ccc(C=O)cc4)[nH]c3cc21 ZINC000587566589 KK Annotated Anodyne CCCCCCCCOc1cc2nc(CCOCCCOCCC(=O)OCC)[nH]c2cc1Br ZINC000587566603 KK Annotated Mild O=Cc1ccc(OCCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587566725 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1F ZINC000587566812 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1F ZINC000587566814 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1F ZINC000587566816 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1F ZINC000587566817 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Br ZINC000587566854 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Br ZINC000587566856 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Br ZINC000587566858 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(OCc2ccccc2)c(Cl)n1 ZINC000587566888 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(OCc2ccccc2)c(Cl)n1 ZINC000587566890 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(OCc2ccccc2)c(Cl)n1 ZINC000587566891 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(OCc2ccccc2)c(Cl)n1 ZINC000587566892 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Br ZINC000587566897 KK Annotated Reactive C[C@@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566984 KK Annotated Anodyne C[C@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566985 KK Annotated Anodyne C[C@@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566986 KK Annotated Anodyne C[C@]1(c2cccc(CCC(=O)OCc3ccccc3)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566987 KK Annotated Anodyne O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566988 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566993 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587566994 KK Annotated Reactive O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587566995 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)cc(I)c1O ZINC000587567013 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)cc(I)c1O ZINC000587567014 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)cc(I)c1O ZINC000587567015 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)cc(I)c1O ZINC000587567016 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567025 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567026 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567027 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567028 KK Annotated Anodyne CCCOc1c(I)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587567037 KK Annotated Anodyne CCCOc1c(I)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587567038 KK Annotated Anodyne CCCOc1c(I)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587567039 KK Annotated Anodyne CCCOc1c(I)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587567040 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1I ZINC000587567049 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1I ZINC000587567050 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1I ZINC000587567051 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1I ZINC000587567052 KK Annotated Reactive CC(C)(C)C(=O)Nc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)nc1Cl ZINC000587567081 KK Annotated Anodyne CC(C)(C)C(=O)Nc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)nc1Cl ZINC000587567082 KK Annotated Anodyne CC(C)(C)C(=O)Nc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)nc1Cl ZINC000587567083 KK Annotated Anodyne CC(C)(C)C(=O)Nc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)nc1Cl ZINC000587567084 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(I)c1 ZINC000587567089 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(I)c1 ZINC000587567090 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)c(I)c1 ZINC000587567091 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)c(I)c1 ZINC000587567092 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1F)c1ccccc1Br ZINC000587567130 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1F)c1ccccc1Br ZINC000587567131 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1F)c1ccccc1Br ZINC000587567132 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1F)c1ccccc1Br ZINC000587567133 KK Annotated Anodyne O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567201 KK Annotated Reactive O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567202 KK Annotated Reactive O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567203 KK Annotated Reactive O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567204 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c2ccnc-2[nH]c(I)c1Cl ZINC000587567229 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccnc-2[nH]c(I)c1Cl ZINC000587567230 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c2ccnc-2[nH]c(I)c1Cl ZINC000587567231 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c2ccnc-2[nH]c(I)c1Cl ZINC000587567232 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(I)cc1 ZINC000587567245 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccc(I)cc1 ZINC000587567246 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(I)cc1 ZINC000587567247 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccc(I)cc1 ZINC000587567248 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 ZINC000587567281 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 ZINC000587567282 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2o1 ZINC000587567283 KK Annotated Anodyne CC(C)(C)c1nc2c(Br)nc(I)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2o1 ZINC000587567284 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567327 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567328 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567329 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567330 KK Annotated Anodyne N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567492 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567493 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567494 KK Annotated Reactive N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567495 KK Annotated Reactive COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567496 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567497 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567498 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567499 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567553 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567554 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567555 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567556 KK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587567565 KK Annotated Anodyne CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587567566 KK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1I ZINC000587567567 KK Annotated Anodyne CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1I ZINC000587567568 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1I ZINC000587567569 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1I ZINC000587567570 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1I ZINC000587567571 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1I ZINC000587567572 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000587567678 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000587567679 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000587567680 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000587567681 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2sc3ccccc3n12 ZINC000587567723 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(F)cc2)nc2sc3ccccc3n12 ZINC000587567724 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2sc3ccccc3n12 ZINC000587567725 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(F)cc2)nc2sc3ccccc3n12 ZINC000587567726 KK Annotated Anodyne C[C@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567821 KK Annotated Anodyne C[C@@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567828 KK Annotated Anodyne C[C@@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587567830 KK Annotated Anodyne C[C@]1(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587567832 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587567833 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587567848 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587567852 KK Annotated Anodyne O=C1c2cc(N(c3ccccc3)c3ccccc3)ccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(N(c3ccccc3)c3ccccc3)ccc21 ZINC000587567853 KK Annotated Anodyne Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(I)cc1 ZINC000587567981 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(I)cc1 ZINC000587567987 KK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(I)cc1 ZINC000587567988 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(I)cc1 ZINC000587567989 KK Annotated Clean COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567993 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567994 KK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587567995 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587567996 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568020 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568021 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568022 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568023 KK Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587568055 KK Annotated Clean CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(F)cc1 ZINC000587568075 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(F)cc1 ZINC000587568077 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(F)cc1 ZINC000587568078 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(F)cc1 ZINC000587568079 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2ncc(I)c-2c(Cl)c1F ZINC000587568228 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2ncc(I)c-2c(Cl)c1F ZINC000587568229 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2ncc(I)c-2c(Cl)c1F ZINC000587568230 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2ncc(I)c-2c(Cl)c1F ZINC000587568231 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(I)cc1 ZINC000587568294 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(I)cc1 ZINC000587568297 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(I)cc1 ZINC000587568298 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(I)cc1 ZINC000587568300 KK Annotated Reactive C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587568332 KK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587568335 KK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587568338 KK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587568340 KK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568341 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568346 KK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccc(I)cc1 ZINC000587568347 KK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568348 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568349 KK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccc(I)cc1 ZINC000587568351 KK Annotated Mild C=CCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccc(I)cc1 ZINC000587568352 KK Annotated Mild C=CCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OCc1ccc(I)cc1 ZINC000587568354 KK Annotated Mild Nc1ccc(Br)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568411 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568412 KK Annotated Anodyne Nc1ccc(Br)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568413 KK Annotated Anodyne Nc1ccc(Br)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568414 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000587568525 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000587568526 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000587568527 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000587568528 KK Annotated Anodyne O=C(O)[C@H](C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(F)c1 ZINC000587568545 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@@H](C(=O)O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000587568546 KK Annotated Anodyne O=C(O)[C@H](C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc(F)c1 ZINC000587568547 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H](C(=O)O)c1cccc(F)c1)c1ccc(Cl)cc1 ZINC000587568548 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000587568553 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000587568554 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000587568555 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(F)cc1 ZINC000587568556 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568569 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587568570 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568571 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587568572 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587568573 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587568574 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587568575 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587568576 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000587568593 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000587568594 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000587568597 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000587568599 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587568611 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587568612 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cc([N+](=O)[O-])ccc3I)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587568613 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@]2(c3cc([N+](=O)[O-])ccc3I)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587568614 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1I ZINC000587568619 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1I ZINC000587568620 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cc1I ZINC000587568621 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1I ZINC000587568622 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(I)nc1Cl ZINC000587568640 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(I)nc1Cl ZINC000587568649 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(I)nc1Cl ZINC000587568651 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(I)nc1Cl ZINC000587568653 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1I ZINC000587568658 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1I ZINC000587568664 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(C(F)(F)F)cc1I ZINC000587568666 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(C(F)(F)F)cc1I ZINC000587568669 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c2cccc(C)c2)c1 ZINC000587568675 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 ZINC000587568682 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 ZINC000587568683 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 ZINC000587568684 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)c(I)c([N+](=O)[O-])c1 ZINC000587568685 KK Annotated Bother Cc1cccc(N(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c2cccc(C)c2)c1 ZINC000587568693 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c2cccc(C)c2)c1 ZINC000587568695 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c2cccc(C)c2)c1 ZINC000587568697 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(O)c(I)c1 ZINC000587568718 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(O)c(I)c1 ZINC000587568719 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(O)c(I)c1 ZINC000587568720 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(O)c(I)c1 ZINC000587568721 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(I)cc2)nc2ccccn12 ZINC000587568722 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(I)cc2)nc2ccccn12 ZINC000587568727 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(I)cc2)nc2ccccn12 ZINC000587568728 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(I)cc2)nc2ccccn12 ZINC000587568729 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568730 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568731 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587568732 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587568733 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1F ZINC000587568802 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1F ZINC000587568806 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1F ZINC000587568807 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1F ZINC000587568810 KK Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587568871 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCN(CCn2c(O)nc3ccccc3c2=O)CC1 ZINC000587568895 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCN(CCn2c(O)nc3ccccc3c2=O)CC1 ZINC000587568897 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)C1CCN(CCn2c(O)nc3ccccc3c2=O)CC1 ZINC000587568898 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)C1CCN(CCn2c(O)nc3ccccc3c2=O)CC1 ZINC000587568900 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(Br)cc1F ZINC000587569023 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(Br)cc1F ZINC000587569024 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(Br)cc1F ZINC000587569025 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(Br)cc1F ZINC000587569026 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587569169 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587569173 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587569174 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c21 ZINC000587569175 KK Annotated Clean C[C@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569207 KK Annotated Anodyne C[C@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569208 KK Annotated Anodyne C[C@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569209 KK Annotated Anodyne C[C@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569211 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1Cl ZINC000587569263 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1Cl ZINC000587569264 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1Cl ZINC000587569266 KK Annotated Anodyne CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569267 KK Annotated Clean COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(F)cc1Cl ZINC000587569268 KK Annotated Anodyne CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569274 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569275 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569278 KK Annotated Clean COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1Cl ZINC000587569333 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1Cl ZINC000587569335 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1Cl ZINC000587569338 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OCc1ccc(F)cc1Cl ZINC000587569340 KK Annotated Anodyne N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587569371 KK Annotated Mild N#Cc1cc([C@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587569372 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587569373 KK Annotated Mild N#Cc1cc([C@@]2(c3cc(F)ccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587569374 KK Annotated Mild CN(C)c1[nH]c2cccc(I)c2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569399 KK Annotated Anodyne CN(C)c1[nH]c2cccc(I)c2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569400 KK Annotated Anodyne CN(C)c1[nH]c2cccc(I)c2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569401 KK Annotated Anodyne CN(C)c1[nH]c2cccc(I)c2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569402 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587569427 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587569428 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587569469 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587569470 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587569471 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587569472 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(c2ccc(I)cc2)c2ccc(I)cc2)cc1 ZINC000587569473 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(c2ccc(I)cc2)c2ccc(I)cc2)cc1 ZINC000587569474 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N(c2ccc(I)cc2)c2ccc(I)cc2)cc1 ZINC000587569475 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N(c2ccc(I)cc2)c2ccc(I)cc2)cc1 ZINC000587569476 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569517 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569520 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587569524 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587569528 KK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587569538 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587569541 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587569542 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587569544 KK Annotated Clean C[C@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569597 KK Annotated Bother C[C@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569598 KK Annotated Bother C[C@@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569599 KK Annotated Bother C[C@@]1(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569600 KK Annotated Bother Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 ZINC000587569672 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 ZINC000587569690 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 ZINC000587569692 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 ZINC000587569694 KK Annotated Reactive O=C(NC(NC(=O)c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587569770 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569778 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569779 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587569780 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569781 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587569782 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569783 KK Annotated Anodyne O=C(NC(NC(=O)c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587569784 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569785 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569787 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569788 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569789 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587569809 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587569810 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587569811 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587569812 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccc(Cl)cc12 ZINC000587569833 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccc(Cl)cc12 ZINC000587569834 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccc(Cl)cc12 ZINC000587569835 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccc(Cl)cc12 ZINC000587569836 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569857 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569858 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569859 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569860 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(I)c1 ZINC000587569885 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(I)c1 ZINC000587569886 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)cc(I)c1 ZINC000587569887 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)cc(I)c1 ZINC000587569888 KK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569932 KK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569934 KK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587569937 KK Annotated Anodyne Nc1nc(Nc2cccc(F)c2)sc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587569941 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587569999 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587570005 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587570010 KK Annotated Anodyne CC(C)(C)[C@@H]1CCc2c(sc(N)c2[C@]2(c3cccc(F)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587570013 KK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587570058 KK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587570068 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1F ZINC000587570117 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570124 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1F ZINC000587570128 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1F ZINC000587570130 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570131 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1F ZINC000587570133 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570134 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570136 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570157 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570159 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570161 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570164 KK Annotated Anodyne CCCCCCCCCCN(C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587570165 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587570171 KK Annotated Mild CCCCCCCCCCN(C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587570173 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587570175 KK Annotated Mild O=Cc1ccc(N(c2ccccc2)c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570177 KK Annotated Anodyne O=Cc1ccc(N(c2ccccc2)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570178 KK Annotated Anodyne O=Cc1ccc(N(c2ccccc2)c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570179 KK Annotated Anodyne O=Cc1ccc(N(c2ccccc2)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587570180 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1Br ZINC000587570225 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1Br ZINC000587570226 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(I)cc1Br ZINC000587570227 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(I)cc1Br ZINC000587570228 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2ncc(I)c-2cc1Cl ZINC000587570245 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2ncc(I)c-2cc1Cl ZINC000587570246 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2ncc(I)c-2cc1Cl ZINC000587570247 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2ncc(I)c-2cc1Cl ZINC000587570248 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2 ZINC000587570316 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2 ZINC000587570317 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2 ZINC000587570318 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2 ZINC000587570319 KK Annotated Anodyne CCOC(=O)CCOCCCOCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587570344 KK Annotated Clean COc1ccc([C@@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570440 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570443 KK Annotated Anodyne N#C[C@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570494 KK Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570496 KK Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587570498 KK Annotated Mild N#C[C@H](c1ccc(F)cc1)c1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587570501 KK Annotated Mild C[C@@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570582 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570584 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570585 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(F)cc3Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570586 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587570587 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587570588 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587570589 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587570590 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1I ZINC000587570601 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1I ZINC000587570602 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1I ZINC000587570603 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1I ZINC000587570604 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(F)ccc1O2 ZINC000587570617 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(F)ccc1O2 ZINC000587570618 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(F)ccc1O2 ZINC000587570619 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(F)ccc1O2 ZINC000587570620 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(I)cc1 ZINC000587570621 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(I)cc1 ZINC000587570622 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(I)cc1 ZINC000587570623 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(I)cc1 ZINC000587570624 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570664 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587570666 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OC(C)C ZINC000587570693 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OC(C)C ZINC000587570695 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OC(C)C ZINC000587570697 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OC(C)C ZINC000587570699 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570785 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570786 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570787 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570788 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1 ZINC000587570837 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1 ZINC000587570838 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1 ZINC000587570841 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)cc(Cl)cc1COc1ccc(F)cc1 ZINC000587570842 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570931 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570936 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570937 KK Annotated Anodyne CC(C)[C@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570938 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570945 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587570946 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570948 KK Annotated Anodyne O=C(O)c1cccnc1SC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587570949 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587571001 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587571004 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587571007 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587571008 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(I)cc(Cl)cc12 ZINC000587571105 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(I)cc(Cl)cc12 ZINC000587571108 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(I)cc(Cl)cc12 ZINC000587571109 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(I)cc(Cl)cc12 ZINC000587571111 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)N(Cc1ccccc1F)c1cc(Cl)ccc12 ZINC000587571122 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(I)cc1)[C@@H]1CCCO1 ZINC000587571139 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CS(=O)(=O)N(Cc1ccccc1F)c1cc(Cl)ccc12 ZINC000587571143 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)N(Cc1ccccc1F)c1cc(Cl)ccc12 ZINC000587571145 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CS(=O)(=O)N(Cc1ccccc1F)c1cc(Cl)ccc12 ZINC000587571146 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1Cl ZINC000587571148 KK Annotated Anodyne COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1Cl ZINC000587571149 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1Cl ZINC000587571150 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCc1ccc(F)cc1Cl ZINC000587571151 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(I)cc1)[C@H]1CCCO1 ZINC000587571152 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(I)cc1)[C@@H]1CCCO1 ZINC000587571154 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(I)cc1)[C@H]1CCCO1 ZINC000587571156 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Br ZINC000587571178 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Br ZINC000587571179 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Br ZINC000587571180 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Br ZINC000587571181 KK Annotated Reactive COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OCc1ccccc1C#N ZINC000587571247 KK Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OCc1ccccc1C#N ZINC000587571253 KK Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OCc1ccccc1C#N ZINC000587571254 KK Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OCc1ccccc1C#N ZINC000587571255 KK Annotated Mild Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1I ZINC000587571295 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1I ZINC000587571296 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1I ZINC000587571297 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1I ZINC000587571298 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000587571359 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000587571360 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000587571361 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000587571362 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571379 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571380 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571381 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571382 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571463 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571464 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571465 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587571466 KK Annotated Anodyne CN(C)c1ccc([C@]2(Cc3nc4ccccc4c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571522 KK Annotated Bother CN(C)c1ccc([C@]2(Cc3nc4ccccc4c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571523 KK Annotated Bother CN(C)c1ccc([C@@]2(Cc3nc4ccccc4c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587571525 KK Annotated Bother CN(C)c1ccc([C@@]2(Cc3nc4ccccc4c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587571528 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)ccc1Br ZINC000587571590 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)ccc1Br ZINC000587571591 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)ccc1Br ZINC000587571592 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)ccc1Br ZINC000587571593 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(F)cc(I)cc12 ZINC000587571618 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2c(F)cc(I)cc12 ZINC000587571619 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(F)cc(I)cc12 ZINC000587571620 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2c(F)cc(I)cc12 ZINC000587571621 KK Annotated Anodyne CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571638 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571639 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571640 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571641 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccc(F)cc12 ZINC000587571650 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccc(F)cc12 ZINC000587571651 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccc(F)cc12 ZINC000587571652 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C23CC4CC(CC(C4)C2)C3)[nH]c2ccc(F)cc12 ZINC000587571653 KK Annotated Anodyne CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000587571690 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000587571691 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000587571692 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(F)cc1 ZINC000587571693 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587571710 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587571711 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587571712 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587571713 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571738 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571739 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571740 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571741 KK Annotated Anodyne Cc1cc([C@@]2(CN3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587571770 KK Annotated Clean Cc1cc([C@]2(CN3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587571771 KK Annotated Clean Cc1cc([C@]2(CN3CCCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587571772 KK Annotated Clean Cc1cc([C@@]2(CN3CCCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 ZINC000587571773 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccc(F)cc12 ZINC000587571872 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccc(F)cc12 ZINC000587571877 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccc(F)cc12 ZINC000587571878 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccc(F)cc12 ZINC000587571879 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2cccc(I)c12 ZINC000587571880 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2cccc(I)c12 ZINC000587571881 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)[nH]c2cccc(I)c12 ZINC000587571882 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)[nH]c2cccc(I)c12 ZINC000587571884 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587571889 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587571893 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587571895 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587571897 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571905 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571917 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587571918 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587571919 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2ncc(I)n12 ZINC000587571949 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2ncc(I)n12 ZINC000587571950 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2ncc(I)n12 ZINC000587571951 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2ncc(I)n12 ZINC000587571952 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(I)c1 ZINC000587571957 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(I)c1 ZINC000587571958 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(I)c1 ZINC000587571959 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(I)c1 ZINC000587571960 KK Annotated Reactive CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572049 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572050 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572051 KK Annotated Anodyne CC(C)(C)C(=O)Nc1ncccc1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572052 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1I ZINC000587572157 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1I ZINC000587572159 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccc1I ZINC000587572161 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccc1I ZINC000587572162 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572177 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572181 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572183 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572185 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(I)cc2)nc2ncccn12 ZINC000587572208 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(I)cc2)nc2ncccn12 ZINC000587572209 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(I)cc2)nc2ncccn12 ZINC000587572210 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(I)cc2)nc2ncccn12 ZINC000587572211 KK Annotated Anodyne CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572236 KK Annotated Clean CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572239 KK Annotated Clean Cc1cc(I)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1NC(=O)C(F)(F)F ZINC000587572249 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1NC(=O)C(F)(F)F ZINC000587572250 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1NC(=O)C(F)(F)F ZINC000587572251 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1NC(=O)C(F)(F)F ZINC000587572252 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccc(Br)cc12 ZINC000587572279 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccc(Br)cc12 ZINC000587572280 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(I)=COc1ccc(Br)cc12 ZINC000587572281 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(I)=COc1ccc(Br)cc12 ZINC000587572282 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587572299 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587572300 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 ZINC000587572301 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 ZINC000587572302 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1Br)c1ccc(F)cc1 ZINC000587572323 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1Br)c1ccc(F)cc1 ZINC000587572324 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1Br)c1ccc(F)cc1 ZINC000587572325 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1Br)c1ccc(F)cc1 ZINC000587572326 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCN1CC=C(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1 ZINC000587572379 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCN1CC=C(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1 ZINC000587572380 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCN1CC=C(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1 ZINC000587572381 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCN1CC=C(n2c(O)nc3ccccc32)CC1)c1ccc(F)cc1 ZINC000587572382 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587572387 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587572388 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587572389 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1 ZINC000587572390 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572447 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572451 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572453 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572455 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(I)cc2)nc2ccc(Cl)cn12 ZINC000587572469 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(I)cc2)nc2ccc(Cl)cn12 ZINC000587572474 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(I)cc2)nc2ccc(Cl)cn12 ZINC000587572476 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(I)cc2)nc2ccc(Cl)cn12 ZINC000587572479 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Cl)ccc1I)c1c(F)cccc1F ZINC000587572532 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(Cl)ccc1I)c1c(F)cccc1F ZINC000587572535 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(Cl)ccc1I)c1c(F)cccc1F ZINC000587572536 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(Cl)ccc1I)c1c(F)cccc1F ZINC000587572537 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(I)cc2)o1 ZINC000587572555 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(I)cc2)o1 ZINC000587572556 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(COc2ccc(I)cc2)o1 ZINC000587572557 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(COc2ccc(I)cc2)o1 ZINC000587572558 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000587572619 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000587572620 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000587572621 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000587572622 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572627 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572628 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572629 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572630 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1cccc(F)c1 ZINC000587572647 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Br)c1OCc1cccc(F)c1 ZINC000587572648 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1cccc(F)c1 ZINC000587572649 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Br)c1OCc1cccc(F)c1 ZINC000587572650 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccc(F)c1 ZINC000587572651 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccc(F)c1 ZINC000587572652 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1cccc(F)c1 ZINC000587572653 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1cccc(F)c1 ZINC000587572654 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572679 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572680 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587572681 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587572682 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572701 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572702 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572703 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572704 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccc(I)cc12 ZINC000587572748 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCOc1ccc(I)cc12 ZINC000587572749 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccc(I)cc12 ZINC000587572751 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCOc1ccc(I)cc12 ZINC000587572752 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(N(Cc1ccccc1)Cc1ccccc1)CC2 ZINC000587572757 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(N(Cc1ccccc1)Cc1ccccc1)CC2 ZINC000587572759 KK Annotated Anodyne CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572766 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(F)c(I)c1 ZINC000587572772 KK Annotated Anodyne CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572773 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572774 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572775 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(F)c(I)c1 ZINC000587572783 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(I)c(F)c(I)c1 ZINC000587572784 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(I)c(F)c(I)c1 ZINC000587572785 KK Annotated Anodyne C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587572797 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587572802 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587572805 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CC[C@]3(CNc4c(O)ccc(C(=O)O)c4O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587572808 KK Annotated Mild COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572856 KK Annotated Bother CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572859 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572861 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572862 KK Annotated Bother CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572864 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572865 KK Annotated Bother CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587572866 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587572868 KK Annotated Bother CN1CCCC[C@@H]1Cn1cc([C@]2(c3ccccc3I)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587572931 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3ccccc3I)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587572934 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3ccccc3I)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587572936 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3ccccc3I)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587572939 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccc(F)cc1 ZINC000587572954 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccc(F)cc1 ZINC000587572955 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccc(F)cc1 ZINC000587572957 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccc(F)cc1 ZINC000587572960 KK Annotated Anodyne O=C(Oc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000587572974 KK Annotated Bother O=C(Oc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000587572979 KK Annotated Bother O=C(Oc1ccc2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000587572980 KK Annotated Bother O=C(Oc1ccc2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000587572981 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000587573009 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000587573011 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000587573012 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000587573014 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@H](Br)[C@@H](Br)c1ccc(F)cc1 ZINC000587573082 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@H](Br)[C@H](Br)c1ccc(F)cc1 ZINC000587573083 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@@H](Br)[C@H](Br)c1ccc(F)cc1 ZINC000587573084 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@@H](Br)[C@@H](Br)c1ccc(F)cc1 ZINC000587573085 KK Annotated Reactive CCCCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573168 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573172 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573174 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573175 KK Annotated Mild CCn1ccnc1[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573193 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573198 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573200 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573203 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OCc1ccc(I)cc1 ZINC000587573213 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OCc1ccc(I)cc1 ZINC000587573237 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(I)c1OCc1ccc(I)cc1 ZINC000587573238 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(I)c1OCc1ccc(I)cc1 ZINC000587573239 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573248 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573249 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573250 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573251 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573491 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573492 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573493 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573494 KK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(I)cc3)nc12 ZINC000587573507 KK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(I)cc3)nc12 ZINC000587573508 KK Annotated Anodyne Cc1cccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(I)cc3)nc12 ZINC000587573509 KK Annotated Anodyne Cc1cccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(I)cc3)nc12 ZINC000587573510 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573527 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573528 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573529 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573530 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(I)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587573535 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(I)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587573536 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(I)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587573537 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(I)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587573538 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573563 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573568 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573570 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573573 KK Annotated Clean COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573596 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573604 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573606 KK Annotated Anodyne COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573607 KK Annotated Anodyne CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573659 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587573660 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573661 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587573662 KK Annotated Clean COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573663 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587573664 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573665 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587573666 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587573675 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587573676 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587573677 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587573678 KK Annotated Reactive COC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587573737 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573742 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573743 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573744 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 ZINC000587573745 KK Annotated Anodyne COC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587573754 KK Annotated Mild COC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587573757 KK Annotated Mild COC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587573759 KK Annotated Mild COCCOCOc1cc2c(cc1F)C1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587573782 KK Annotated Anodyne COCCOCOc1cc2c(cc1F)C1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587573783 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573784 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573788 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573789 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573790 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573791 KK Annotated Bother Cc1nc2ccccn2c(=O)c1CCN1CCC([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573795 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587573796 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587573797 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000587573825 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000587573828 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Oc2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000587573830 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Oc2ccccc2C(=O)N2CCCC2)c([N+](=O)[O-])c1 ZINC000587573837 KK Annotated Bother CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587573872 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587573879 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587573882 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587573883 KK Annotated Mild O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573908 KK Annotated Anodyne O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573918 KK Annotated Anodyne O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573921 KK Annotated Anodyne O=Cc1ccc(N(c2ccc(C=O)cc2)c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587573923 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574019 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574020 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574022 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574024 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2cc1C ZINC000587574032 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2cc1C ZINC000587574038 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2cc1C ZINC000587574041 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2cc1C ZINC000587574043 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c2ccccc21 ZINC000587574046 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c2ccccc21 ZINC000587574048 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c2ccccc21 ZINC000587574050 KK Annotated Anodyne Cn1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c2ccccc21 ZINC000587574053 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000587574103 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000587574106 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000587574108 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)c1ccc(C#Cc2ccccc2)cc1 ZINC000587574109 KK Annotated Mild Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574118 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574127 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574128 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)OC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574129 KK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574226 KK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574228 KK Annotated Anodyne CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574230 KK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574232 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587574281 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574282 KK Annotated Bother CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587574283 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587574284 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C1=N2 ZINC000587574285 KK Annotated Anodyne CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587574286 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574288 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587574289 KK Annotated Bother C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6ccccc6C(=O)[C@H]4C(=O)c4ccco4)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587574302 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6ccccc6C(=O)[C@H]4C(=O)c4ccco4)[C@@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587574307 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6ccccc6C(=O)[C@@H]4C(=O)c4ccco4)[C@@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587574309 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4[C@]4(Oc6ccccc6C(=O)[C@@H]4C(=O)c4ccco4)[C@H](C#N)C[C@]35C)[C@@H]1CC[C@@H]2O ZINC000587574312 KK Annotated Mild CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587574331 KK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587574332 KK Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587574333 KK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587574334 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c(OC)c1 ZINC000587574347 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c(OC)c1 ZINC000587574348 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c(OC)c1 ZINC000587574349 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c(OC)c1 ZINC000587574350 KK Annotated Bother O=C(c1ccc(F)cc1)c1cccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574385 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587574386 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574387 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cccc([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587574388 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587574417 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587574418 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587574419 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccc(F)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587574420 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574484 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574485 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574486 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587574487 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574756 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574757 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574758 KK Annotated Anodyne CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587574759 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587574812 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587574813 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587574814 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587574816 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587574850 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587574854 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587574856 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587574858 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@@]2(c3ccc(N(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574880 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@]2(c3ccc(N(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574884 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@@]2(c3ccc(N(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587574886 KK Annotated Anodyne CN(C)c1ccc(C(=O)[C@]2(c3ccc(N(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587574887 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587574988 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587574989 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587574990 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587574992 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575127 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575128 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575129 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575130 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575131 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575132 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575133 KK Annotated Anodyne C[C@@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587575134 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575135 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575136 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587575137 KK Annotated Anodyne O=C(O)c1cccc(NC(=O)c2cccc3c2-c2ccccc2[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587575138 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575155 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575156 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575157 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575158 KK Annotated Anodyne CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575159 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575160 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575161 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575162 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2Cc1cccc(C#N)c1 ZINC000587575231 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2Cc1cccc(C#N)c1 ZINC000587575232 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2Cc1cccc(C#N)c1 ZINC000587575233 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2Cc1cccc(C#N)c1 ZINC000587575234 KK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575267 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575268 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575269 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575270 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000587575279 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000587575280 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000587575281 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000587575282 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575299 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575300 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575301 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587575302 KK Annotated Bother Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587575335 KK Annotated Bother Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587575336 KK Annotated Bother Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587575337 KK Annotated Bother Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587575338 KK Annotated Bother Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575486 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575487 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575488 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575489 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575522 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575523 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587575524 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587575525 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575564 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575565 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575566 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575567 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1O2 ZINC000587575627 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1O2 ZINC000587575628 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1O2 ZINC000587575629 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1O2 ZINC000587575630 KK Annotated Bother Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587575646 KK Annotated Bother Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587575648 KK Annotated Bother Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587575649 KK Annotated Bother Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587575650 KK Annotated Bother COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587575718 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587575719 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587575720 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587575721 KK Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587575734 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587575735 KK Annotated Bother Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575742 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575743 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575744 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575745 KK Annotated Clean CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575802 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575803 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587575804 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587575805 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575833 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575837 KK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575841 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587575844 KK Annotated Bother CCCn1c(C)c([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587575845 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587575847 KK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587575848 KK Annotated Anodyne COC(=O)c1cccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587575850 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587575852 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587575855 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587575857 KK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587575861 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587575862 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587575863 KK Annotated Anodyne CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587575876 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587575878 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587575881 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587575883 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587575900 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587575902 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587575903 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587575905 KK Annotated Bother CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587575921 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 ZINC000587575925 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587575928 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 ZINC000587575930 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587575958 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587575959 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1C ZINC000587575961 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1C ZINC000587575962 KK Annotated Anodyne Nc1c([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576007 KK Annotated Anodyne Nc1c([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576008 KK Annotated Anodyne Nc1c([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576009 KK Annotated Anodyne Nc1c([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576010 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587576138 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587576148 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587576152 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587576157 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N)c12 ZINC000587576397 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N)c12 ZINC000587576402 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N)c12 ZINC000587576403 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N)c12 ZINC000587576406 KK Annotated Anodyne COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576416 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576417 KK Annotated Anodyne COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576418 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587576419 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587576420 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576423 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576425 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576427 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(OCc3ccccc3)cc21 ZINC000587576550 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(OCc3ccccc3)cc21 ZINC000587576552 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(OCc3ccccc3)cc21 ZINC000587576553 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(OCc3ccccc3)cc21 ZINC000587576555 KK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587576564 KK Annotated Bother COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576566 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576567 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576568 KK Annotated Mild COc1cc(C(=O)Oc2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587576569 KK Annotated Bother COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 ZINC000587576570 KK Annotated Mild COc1cc(C(=O)Oc2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587576571 KK Annotated Bother O=Cc1ccc2c(c1)c1cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc1n2Cc1ccccc1 ZINC000587576572 KK Annotated Anodyne COc1cc(C(=O)Oc2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000587576573 KK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576574 KK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587576576 KK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576578 KK Annotated Bother O=Cc1ccc2c(c1)c1cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1n2Cc1ccccc1 ZINC000587576580 KK Annotated Anodyne COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587576581 KK Annotated Bother O=Cc1ccc2c(c1)c1cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1n2Cc1ccccc1 ZINC000587576583 KK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576584 KK Annotated Anodyne O=Cc1ccc2c(c1)c1cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc1n2Cc1ccccc1 ZINC000587576586 KK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576592 KK Annotated Anodyne Nc1c([C@@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576593 KK Annotated Anodyne Nc1c([C@]2(c3ccc4c(c3)OCCO4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)oc2ccccc12 ZINC000587576594 KK Annotated Anodyne Cc1ccc(C(C)C)c(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587576653 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587576654 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587576655 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])c1 ZINC000587576656 KK Annotated Bother O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@]43Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 ZINC000587576735 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000587576738 KK Annotated Bother O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@]43Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 ZINC000587576739 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@@]43Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 ZINC000587576741 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000587576742 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000587576744 KK Annotated Bother O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3C(=O)c3ccccc3[C@@]43Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 ZINC000587576746 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000587576747 KK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587576793 KK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587576808 KK Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587576810 KK Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc([N+](=O)[O-])c1O ZINC000587576814 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000587576884 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000587576885 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000587576886 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000587576889 KK Annotated Bother CC(C)(C)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587576968 KK Annotated Bother CC(C)(C)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587576969 KK Annotated Bother CC(C)(C)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587576970 KK Annotated Bother CC(C)(C)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[N+](=O)[O-])cc1 ZINC000587576971 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(OCc3ccccc3)ccc21 ZINC000587576991 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(OCc3ccccc3)ccc21 ZINC000587576994 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(OCc3ccccc3)ccc21 ZINC000587576995 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(OCc3ccccc3)ccc21 ZINC000587576996 KK Annotated Anodyne Cn1cc([C@H](C[C@@]2(c3ccc(C4CCCCC4)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O)c2ccccc21 ZINC000587577004 KK Annotated Anodyne Cn1cc([C@H](C[C@]2(c3ccc(C4CCCCC4)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O)c2ccccc21 ZINC000587577009 KK Annotated Anodyne Cn1cc([C@H](C[C@@]2(c3ccc(C4CCCCC4)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)O)c2ccccc21 ZINC000587577013 KK Annotated Anodyne Cn1cc([C@H](C[C@]2(c3ccc(C4CCCCC4)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)O)c2ccccc21 ZINC000587577016 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577028 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577040 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577042 KK Annotated Anodyne C[C@]1(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577043 KK Annotated Anodyne COC(=O)c1ccccc1Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577077 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577078 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577080 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587577081 KK Annotated Bother CCCCCn1ccc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577387 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587577389 KK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577392 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587577394 KK Annotated Anodyne Cc1c(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cccc1[N+](=O)[O-] ZINC000587577422 KK Annotated Bother COc1cc([C@@]2(Cc3nc4ccccc4n3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587577452 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587577454 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587577457 KK Annotated Anodyne Cc1c(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cccc1[N+](=O)[O-] ZINC000587577459 KK Annotated Bother COc1cc([C@]2(Cc3nc4ccccc4n3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587577460 KK Annotated Anodyne Cc1c(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cccc1[N+](=O)[O-] ZINC000587577462 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cccc1[N+](=O)[O-] ZINC000587577465 KK Annotated Bother C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577481 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577483 KK Annotated Mild CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577484 KK Annotated Anodyne C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577485 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577486 KK Annotated Mild Cn1cc([C@]2(C(=O)N3CCCc4ccccc43)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577487 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCCc4ccccc43)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577488 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577489 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCCc4ccccc43)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577490 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577491 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCCc4ccccc43)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587577492 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577493 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587577570 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587577571 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587577572 KK Annotated Bother CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc([N+](=O)[O-])c21 ZINC000587577573 KK Annotated Bother COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587577633 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587577639 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1C ZINC000587577642 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1C ZINC000587577647 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577648 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577656 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587577659 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587577661 KK Annotated Anodyne O=C1c2cccc(NC3CCCCC3)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(NC3CCCCC3)c21 ZINC000587577663 KK Annotated Clean O=C1c2cccc(NC3CCCCC3)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(NC3CCCCC3)c21 ZINC000587577671 KK Annotated Clean O=C1c2cccc(NC3CCCCC3)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(NC3CCCCC3)c21 ZINC000587577673 KK Annotated Clean O=C1c2cccc(NC3CCCCC3)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(NC3CCCCC3)c21 ZINC000587577676 KK Annotated Clean Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577679 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587577681 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577684 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587577686 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000587577749 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000587577754 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000587577756 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000587577758 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587577950 KK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587577952 KK Annotated Bother CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587577953 KK Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587577954 KK Annotated Bother Cc1ccc(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC000587577979 KK Annotated Bother Cc1ccc(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC000587577980 KK Annotated Bother Cc1ccc(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC000587577981 KK Annotated Bother Cc1ccc(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1[N+](=O)[O-] ZINC000587577982 KK Annotated Bother CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578012 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578016 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578017 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578020 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578076 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578077 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578080 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578082 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000587578083 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000587578095 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000587578098 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 ZINC000587578101 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578160 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578166 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578167 KK Annotated Anodyne C[C@@]1(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578168 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587578180 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587578183 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587578185 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587578187 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1 ZINC000587578189 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1 ZINC000587578190 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1 ZINC000587578191 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1ccccc1 ZINC000587578192 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578193 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578195 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578196 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578197 KK Annotated Anodyne C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578226 KK Annotated Anodyne C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578227 KK Annotated Anodyne C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578228 KK Annotated Anodyne C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578229 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587578234 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587578235 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587578262 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587578263 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587578265 KK Annotated Bother CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc([N+](=O)[O-])ccc1O2 ZINC000587578266 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578302 KK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578306 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578308 KK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578310 KK Annotated Bother COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578333 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587578335 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578336 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587578337 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(OCc3ccccc3)c21 ZINC000587578581 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(OCc3ccccc3)c21 ZINC000587578595 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cccc(OCc3ccccc3)c21 ZINC000587578596 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(OCc3ccccc3)c21 ZINC000587578597 KK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578637 KK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578646 KK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587578650 KK Annotated Anodyne O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587578654 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000587578687 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000587578688 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000587578689 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1N1CCN(c2ccccc2)CC1 ZINC000587578690 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587578719 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587578720 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587578721 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587578722 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587578735 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587578736 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587578737 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587578738 KK Annotated Bother CC(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587578805 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587578810 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587578812 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C(=O)O)c(N)nc1O2 ZINC000587578814 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000587578906 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000587578908 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000587578910 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000587578912 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(C)cc3)n2)cc1 ZINC000587578939 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(C)cc3)n2)cc1 ZINC000587578940 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccc(C)cc3)n2)cc1 ZINC000587578941 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccc(C)cc3)n2)cc1 ZINC000587578944 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000587578950 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000587578951 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000587578953 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000587578956 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579084 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579086 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579087 KK Annotated Bother C[C@]1(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579088 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579104 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579105 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587579106 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587579107 KK Annotated Bother COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587579207 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587579209 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587579211 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587579216 KK Annotated Anodyne Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579366 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579367 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579368 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579369 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579390 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579391 KK Annotated Bother Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587579392 KK Annotated Bother Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587579393 KK Annotated Bother Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587579398 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587579399 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587579400 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c([N+](=O)[O-])c1 ZINC000587579401 KK Annotated Mild COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587579442 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587579443 KK Annotated Anodyne O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579492 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579493 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579494 KK Annotated Reactive O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 ZINC000587579495 KK Annotated Reactive CCCCCn1cc([C@@]2(Cc3ccccc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579605 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579606 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579607 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587579608 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587579619 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587579629 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587579630 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587579631 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C(=O)OC(C)(C)C ZINC000587579632 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587579634 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587579635 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587579636 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccon1 ZINC000587579649 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccon1 ZINC000587579650 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccon1 ZINC000587579651 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1nc2ccccc2n1Cc1ccon1 ZINC000587579652 KK Annotated Anodyne O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3[C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587579661 KK Annotated Anodyne O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3[C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587579674 KK Annotated Anodyne O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587579677 KK Annotated Anodyne O=Cc1cccn1-c1ccc(Oc2ccc(-n3cccc3[C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587579679 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1C ZINC000587579685 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1C ZINC000587579689 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n(C)c1C ZINC000587579691 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n(C)c1C ZINC000587579692 KK Annotated Anodyne C[C@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579760 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587579761 KK Annotated Anodyne C[C@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579762 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3c4ccccc4nc4occc34)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587579763 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000587579830 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000587579831 KK Annotated Anodyne O=C(C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000587579832 KK Annotated Anodyne O=C(C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000587579833 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587579897 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587579899 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587579901 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)C1 ZINC000587579903 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587580087 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587580090 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587580093 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587580096 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587580111 KK Annotated Mild Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580113 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587580114 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587580115 KK Annotated Mild Cc1cc([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587580116 KK Annotated Mild Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580117 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580119 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580120 KK Annotated Anodyne Nc1ccc(Oc2ccc(C(=O)c3ccc([C@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587580140 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587580141 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587580142 KK Annotated Clean Nc1ccc(Oc2ccc(C(=O)c3ccc([C@@]4(c5ccc(Oc6ccc(N)cc6)cc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587580143 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587580152 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587580153 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587580154 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587580155 KK Annotated Anodyne NCCC[C@H](C(=O)O)[C@@]1(c2ccccc2-c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580176 KK Annotated Anodyne NCCC[C@H](C(=O)O)[C@]1(c2ccccc2-c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580177 KK Annotated Anodyne NCCC[C@H](C(=O)O)[C@]1(c2ccccc2-c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580178 KK Annotated Anodyne NCCC[C@H](C(=O)O)[C@@]1(c2ccccc2-c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580179 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(OC)c1 ZINC000587580180 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(OC)c1 ZINC000587580181 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(OC)c1 ZINC000587580182 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(OC)c1 ZINC000587580183 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@]3(Cc4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CCC1 ZINC000587580204 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@]3(Cc4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CCC1 ZINC000587580205 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@@]3(Cc4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CCC1 ZINC000587580206 KK Annotated Anodyne CC(C)(C)OC(=O)NC1(c2ccc([C@@]3(Cc4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CCC1 ZINC000587580207 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580238 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580239 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580240 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580241 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000587580266 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)CC2 ZINC000587580267 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(OCc3ccccc3)cccc21 ZINC000587580353 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(OCc3ccccc3)cccc21 ZINC000587580356 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(OCc3ccccc3)cccc21 ZINC000587580357 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(OCc3ccccc3)cccc21 ZINC000587580360 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587580424 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587580425 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587580426 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c1 ZINC000587580428 KK Annotated Anodyne Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587580469 KK Annotated Anodyne CCn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580473 KK Annotated Mild Cc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587580474 KK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587580475 KK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587580476 KK Annotated Anodyne CCn1c(-c2ccccc2)c([C@@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580477 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580479 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587580482 KK Annotated Mild NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cc(OCCCN)ccc1-4 ZINC000587580556 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cc(OCCCN)ccc1-4 ZINC000587580557 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cc(OCCCN)ccc1-4 ZINC000587580558 KK Annotated Bother NCCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cc(OCCCN)ccc1-4 ZINC000587580559 KK Annotated Bother O=C(Nc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1)OCc1ccccc1 ZINC000587580568 KK Annotated Anodyne O=C(Nc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1)OCc1ccccc1 ZINC000587580569 KK Annotated Anodyne O=C(Nc1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1)OCc1ccccc1 ZINC000587580570 KK Annotated Anodyne O=C(Nc1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1)OCc1ccccc1 ZINC000587580571 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587580796 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587580812 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587580815 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587580817 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587580876 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587580878 KK Annotated Anodyne O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580964 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587580965 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580966 KK Annotated Mild O=C(Nc1cccnc1)C(=NNc1cccnc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587580967 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587580969 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(Cc3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587580971 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000587581039 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000587581044 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000587581046 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 ZINC000587581048 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581087 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581091 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581093 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581094 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581140 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581145 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581147 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581149 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581163 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581165 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581167 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581169 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581317 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581319 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581322 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(c3cccc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587581324 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581494 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581495 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581496 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581497 KK Annotated Anodyne O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587581591 KK Annotated Anodyne O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587581596 KK Annotated Anodyne O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587581600 KK Annotated Anodyne O=C(CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587581602 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581610 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581616 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581617 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581618 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581635 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587581636 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581637 KK Annotated Anodyne CC1(C)c2ccc(C(=O)Nc3ccc(C(=O)O)cc3)cc2C(C)(C)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587581638 KK Annotated Anodyne Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)N1CCCC[C@H]1C ZINC000587581673 KK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)N1CCCC[C@H]1C ZINC000587581674 KK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000587581675 KK Annotated Clean Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000587581676 KK Annotated Clean O=C(N[C@H](Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581708 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581709 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581710 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581711 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581712 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581713 KK Annotated Anodyne O=C(N[C@H](Cc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581714 KK Annotated Anodyne O=C(N[C@@H](Cc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 ZINC000587581715 KK Annotated Anodyne CCOc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000587581810 KK Annotated Anodyne CCOc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000587581811 KK Annotated Anodyne CCOc1ccc(Oc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000587581812 KK Annotated Anodyne CCOc1ccc(Oc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000587581813 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000587581826 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000587581827 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000587581828 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O ZINC000587581829 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581858 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581861 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581863 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587581865 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581885 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581891 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587581893 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587581896 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@@]3(Oc5ccccc5C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C4=O)cccc21 ZINC000587581952 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@@]3(Oc5ccccc5C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C4=O)cccc21 ZINC000587581954 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@]3(Oc5ccccc5C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C4=O)cccc21 ZINC000587581956 KK Annotated Clean O=C1c2ccccc2C(=O)c2c(Nc3cccc4c3[C@]3(Oc5ccccc5C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C4=O)cccc21 ZINC000587581958 KK Annotated Clean O=C(NC1(C(=O)O)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587581972 KK Annotated Anodyne O=C(NC1(C(=O)O)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587581975 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587582122 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587582123 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587582124 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587582125 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582162 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582163 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582164 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582166 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587582202 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587582206 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587582207 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587582208 KK Annotated Anodyne O=C(NC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587582217 KK Annotated Anodyne O=C(NC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587582220 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582368 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582369 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582370 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582371 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587582376 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587582377 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2c1 ZINC000587582378 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2c1 ZINC000587582379 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582454 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582455 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582456 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582457 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582476 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587582477 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582478 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc([C@@]2(CCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587582479 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587582564 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587582565 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587582566 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587582567 KK Annotated Anodyne Nc1c([C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587582620 KK Annotated Anodyne Nc1c([C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587582621 KK Annotated Anodyne Nc1c([C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587582622 KK Annotated Anodyne Nc1c([C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1-c1ccccc1 ZINC000587582623 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582792 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582793 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587582794 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587582795 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587582854 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587582855 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587582856 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC([C@@]2(c3ccncc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587582857 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587582862 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587582863 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587582864 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587582865 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582900 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582901 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582902 KK Annotated Anodyne CN1CCCC[C@@H]1Cn1cc([C@@]2(C34CC5CC(CC(C5)C3)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587582903 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583000 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583001 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587583002 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587583003 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000587583008 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000587583009 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000587583010 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000587583011 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587583132 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587583133 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587583134 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587583135 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000587583172 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000587583173 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000587583174 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000587583175 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587583231 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587583232 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C ZINC000587583233 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C ZINC000587583234 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587583265 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587583267 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587583269 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587583274 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587583416 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587583417 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587583418 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587583419 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587583472 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587583473 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587583475 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2CC[C@]3(C[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587583476 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583730 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583731 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587583732 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587583733 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587584082 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587584083 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587584084 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587584085 KK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587584094 KK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587584095 KK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587584096 KK Annotated Anodyne COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587584097 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584142 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584143 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584144 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1Cc1ccccc1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584145 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccn1 ZINC000587584146 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccn1 ZINC000587584147 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccn1 ZINC000587584149 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccc(CN2C(=O)c3ccccc3C2=O)c1)c1ccccn1 ZINC000587584150 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587584343 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587584344 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587584345 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000587584346 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584427 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587584428 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584429 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@]2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587584430 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587584447 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587584448 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587584449 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587584450 KK Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn2c1nc1ccccc12 ZINC000587584459 KK Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn2c1nc1ccccc12 ZINC000587584460 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn2c1nc1ccccc12 ZINC000587584461 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn2c1nc1ccccc12 ZINC000587584462 KK Annotated Mild CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584621 KK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584622 KK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584623 KK Annotated Anodyne CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584624 KK Annotated Anodyne COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587584668 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587584670 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587584672 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587584674 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584711 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584713 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584714 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(Cc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587584716 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584717 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584719 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584721 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584724 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587584754 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587584758 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587584760 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587584761 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587584834 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587584840 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584842 KK Annotated Mild Cc1cc2c(cc1C)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587584843 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584846 KK Annotated Mild Cc1cc2c(cc1C)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587584847 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584850 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584854 KK Annotated Mild COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587584866 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587584872 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584879 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587584882 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584883 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587584884 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587584989 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587584992 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587585509 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587585510 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587585511 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587585512 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1OC ZINC000587585703 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1OC ZINC000587585704 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(=O)c2cc1OC ZINC000587585705 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(=O)c2cc1OC ZINC000587585706 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585880 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585884 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587585885 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587585886 KK Annotated Anodyne Cc1ccc(C)c2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587586087 KK Annotated Anodyne Cc1ccc(C)c2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587586089 KK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587586090 KK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587586092 KK Annotated Anodyne Cc1c(Nc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587586191 KK Annotated Anodyne Cc1c(Nc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587586194 KK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587586198 KK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587586202 KK Annotated Anodyne COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587586217 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587586221 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587586223 KK Annotated Bother COC(=O)[C@H]1[C@@H](C)[C@@H](OC)/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)NC(=O)C(C)=CC=C[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@@H]1C ZINC000587586225 KK Annotated Bother CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587586254 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587586263 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587586264 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587586267 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587586363 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587586365 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587586368 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587586371 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587586470 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587586478 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587586480 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587586484 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cccc(c32)C1 ZINC000587586555 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCn2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cccc(c32)C1 ZINC000587586557 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cccc(c32)C1 ZINC000587586558 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCn2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cccc(c32)C1 ZINC000587586559 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586628 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587586630 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586632 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587586634 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587586861 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587586862 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587586863 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587586864 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587587372 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587587373 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587587374 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587587375 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587587707 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587587718 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587587720 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)Oc5ccccc5C(=O)[C@@H]3C(=O)c3ccco3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587587724 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587926 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587927 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587587928 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587587931 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588040 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588044 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588047 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588049 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C(=O)O)C2 ZINC000587588428 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587588429 KK Annotated Anodyne O=C(O)[C@H]1C[C@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588430 KK Annotated Anodyne O=C(O)[C@H]1C[C@@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588431 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588433 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCN(C(=O)OCC1c3ccccc3-c3ccccc31)[C@@H](C(=O)O)C2 ZINC000587588436 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587588438 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CCN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587588439 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)N1CCc2ccccc21)c1c[nH]c2ccccc12 ZINC000587588479 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)N1CCc2ccccc21)c1c[nH]c2ccccc12 ZINC000587588482 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)N1CCc2ccccc21)c1c[nH]c2ccccc12 ZINC000587588485 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)N1CCc2ccccc21)c1c[nH]c2ccccc12 ZINC000587588487 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588538 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588543 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588544 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1[C@]1(CCCCC2OCCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588545 KK Annotated Anodyne N#Cc1cccc(-c2nc3ccc([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3[nH]2)c1 ZINC000587588745 KK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3[nH]2)c1 ZINC000587588746 KK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3[nH]2)c1 ZINC000587588748 KK Annotated Mild N#Cc1cccc(-c2nc3ccc([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3[nH]2)c1 ZINC000587588750 KK Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587588777 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587588779 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587588782 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587588784 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588891 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588892 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587588893 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587588894 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589082 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589083 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587589084 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]2(CN1C(=O)OCC1c3ccccc3-c3ccccc31)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587589085 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587589469 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587589470 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587589671 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587589672 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587589741 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587589743 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587589744 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587589745 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cc(O)ccc1-3 ZINC000587589875 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cc(O)ccc1-3 ZINC000587589876 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cc(O)ccc1-3 ZINC000587589877 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cc(O)ccc1-3 ZINC000587589878 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(Cc3nc4ccccc4o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589915 KK Annotated Anodyne CC(C)(C)c1ccc([C@@]2(Cc3nc4ccccc4o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589916 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(Cc3nc4ccccc4o3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587589917 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(Cc3nc4ccccc4o3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587589918 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587589948 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587589960 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587590073 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587590074 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587590075 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587590076 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2cc1OC ZINC000587590105 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2cc1OC ZINC000587590106 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2cc1OC ZINC000587590111 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2cc1OC ZINC000587590114 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587590120 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587590124 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587590126 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587590127 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587590201 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587590207 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587590208 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587590210 KK Annotated Anodyne CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590212 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590217 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590219 KK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590222 KK Annotated Mild CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590269 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590279 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590281 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590283 KK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590286 KK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590288 KK Annotated Anodyne C[C@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590290 KK Annotated Anodyne C[C@@]1(c2ccccc2-c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590292 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000587590578 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000587590587 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000587590590 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000587590593 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7ccccc7C(=O)[C@@H]6C(=O)c6ccco6)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587590663 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7ccccc7C(=O)[C@H]6C(=O)c6ccco6)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587590670 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7ccccc7C(=O)[C@@H]6C(=O)c6ccco6)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587590676 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(Oc7ccccc7C(=O)[C@H]6C(=O)c6ccco6)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587590680 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)ccc1OCc1ccccc1 ZINC000587590706 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)ccc1OCc1ccccc1 ZINC000587590708 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)ccc1OCc1ccccc1 ZINC000587590709 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)ccc1OCc1ccccc1 ZINC000587590711 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587590713 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587590719 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587590722 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587590725 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)cc1OC ZINC000587590727 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)cc1OC ZINC000587590729 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)cc1OC ZINC000587590732 KK Annotated Anodyne COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)cc1OC ZINC000587590736 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1OC ZINC000587590739 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1OC ZINC000587590740 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1OC ZINC000587590743 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1OC ZINC000587590745 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590826 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587590832 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590833 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587590835 KK Annotated Anodyne CN1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587590876 KK Annotated Bother CN1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587590877 KK Annotated Bother CN1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587590878 KK Annotated Bother CN1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3c(cc21)c(=O)c1ccccc1n3C ZINC000587590879 KK Annotated Bother O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587590892 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587590893 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587590894 KK Annotated Anodyne O=C(O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587590895 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590938 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587590942 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590943 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587590945 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587591190 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591194 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587591196 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587591198 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587591201 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591202 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587591240 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587591241 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587591242 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587591243 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587591256 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587591257 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587591258 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587591259 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591286 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591288 KK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591290 KK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591292 KK Annotated Anodyne C[C@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591295 KK Annotated Anodyne C[C@@]1(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591297 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587591340 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591361 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591364 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591366 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587591368 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591369 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587591373 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)ccc1N1CCCC1 ZINC000587591375 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591428 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591433 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591436 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591439 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591502 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591507 KK Annotated Anodyne C[C@@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591511 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591512 KK Annotated Anodyne C[C@]1(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591514 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587591517 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591521 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587591525 KK Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591557 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587591572 KK Annotated Anodyne COC(=O)c1ccc([C@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591575 KK Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587591577 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587591580 KK Annotated Anodyne COC(=O)c1ccc([C@@]2(c3cc4c(cc3C)C(C)(C)CCC4(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587591581 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587591583 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587591585 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587591590 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587591597 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587591600 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587591605 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587591666 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587591667 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587591668 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1O2 ZINC000587591669 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000587591791 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000587591798 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000587591802 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000587591805 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587592030 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587592031 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587592032 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN(C(=O)OCC1c3ccccc3-c3ccccc31)C2 ZINC000587592033 KK Annotated Anodyne N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000587592054 KK Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000587592055 KK Annotated Mild N#Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000587592056 KK Annotated Mild N#Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N1CCN(Cc2ccccc2)CC1 ZINC000587592057 KK Annotated Mild COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587592076 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587592077 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587592078 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587592079 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000587592209 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000587592210 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000587592211 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000587592212 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587592294 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587592299 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587592303 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587592308 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592468 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592470 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587592473 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587592476 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587592492 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587592498 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587592499 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587592501 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587592503 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587592507 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587592511 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587592513 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587592617 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587592619 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587592621 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587592622 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587592704 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587592705 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587592817 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587592818 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587592819 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587592820 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592915 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592917 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587592918 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587592919 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587592947 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587592948 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587592949 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(OC)c1OC ZINC000587592950 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593013 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593018 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593020 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593021 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587593022 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587593027 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587593044 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587593052 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587593054 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1OC ZINC000587593057 KK Annotated Anodyne CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593082 KK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593083 KK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587593084 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587593086 KK Annotated Mild COC(=O)c1ccc(OCCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587593088 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587593091 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587593092 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587593094 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593115 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593122 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593124 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)CC1 ZINC000587593127 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12 ZINC000587593142 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc12 ZINC000587593146 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12 ZINC000587593148 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC2(C1)OCc1cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc12 ZINC000587593149 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587593379 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587593380 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587593381 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c21 ZINC000587593382 KK Annotated Clean CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc2ccccc12 ZINC000587593443 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1cccc2ccccc12 ZINC000587593444 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc2ccccc12 ZINC000587593445 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1cccc2ccccc12 ZINC000587593446 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587593514 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587593515 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587593516 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587593517 KK Annotated Anodyne N#Cc1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587593629 KK Annotated Mild N#Cc1cc([C@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587593633 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587593638 KK Annotated Mild N#Cc1cc([C@@]2(c3ccccc3O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn(C2CCCCC2)c1=O ZINC000587593641 KK Annotated Mild CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587593900 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587593903 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587593906 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587593908 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593917 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593918 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593920 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587593921 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCCCCCCCCCO)cc1 ZINC000587593939 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCCCCCCCCCO)cc1 ZINC000587593947 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCCCCCCCCCCO)cc1 ZINC000587593948 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCCCCCCCCCCO)cc1 ZINC000587593951 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587594117 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587594119 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587594121 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587594123 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587594206 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587594207 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587594209 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587594211 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594239 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594240 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594241 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594242 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000587594295 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000587594296 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000587594297 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(OCc2ccccc2)cc1 ZINC000587594298 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC ZINC000587594303 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC ZINC000587594304 KK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC ZINC000587594305 KK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC ZINC000587594306 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594315 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594316 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594317 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587594318 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587594323 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587594324 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587594325 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587594326 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594425 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594426 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594427 KK Annotated Anodyne C[C@]1(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594428 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594444 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594452 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](C1CCCC1)C2 ZINC000587594487 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](C1CCCC1)C2 ZINC000587594495 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](C1CCCC1)C2 ZINC000587594497 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](C1CCCC1)C2 ZINC000587594503 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594641 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594649 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587594651 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587594654 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587594781 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587594782 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587594783 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587594784 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594888 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587594890 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594892 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587594893 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587595062 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587595064 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587595065 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587595066 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595107 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595108 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595111 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595114 KK Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587595135 KK Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587595141 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587595142 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587595143 KK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1O ZINC000587595262 KK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1O ZINC000587595263 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595288 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587595289 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595290 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587595291 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(OC)c1OC ZINC000587595325 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(OC)c1OC ZINC000587595327 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc(OC)c1OC ZINC000587595330 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc(OC)c1OC ZINC000587595332 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587595355 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587595359 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587595362 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587595364 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587595429 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587595432 KK Annotated Clean O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587595434 KK Annotated Clean O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1ccc1[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c21 ZINC000587595438 KK Annotated Clean CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595540 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595541 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595542 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595544 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587595691 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587595694 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595759 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595760 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595761 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595762 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595787 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595788 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587595789 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587595790 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 ZINC000587595919 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 ZINC000587595920 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596021 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596023 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596025 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596029 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)C(O)O ZINC000587596132 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)C(O)O ZINC000587596133 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)C(O)O ZINC000587596134 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)C(O)O ZINC000587596135 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596175 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596178 KK Annotated Anodyne Cn1cc([C@@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596181 KK Annotated Anodyne Cn1cc([C@]2(C(=O)N3CCN(c4ccccc4)CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587596183 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1OCC ZINC000587596325 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1OCC ZINC000587596326 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1OCC ZINC000587596327 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1OCC ZINC000587596328 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596463 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596471 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596473 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1N1CCCC1 ZINC000587596476 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@H](C1)N2Cc1ccccc1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587596478 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C[C@H](C1)N2Cc1ccccc1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587596483 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(C[C@H](C1)N2Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587596485 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C[C@H](C1)N2Cc1ccccc1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587596488 KK Annotated Anodyne C[C@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596500 KK Annotated Anodyne C[C@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596501 KK Annotated Anodyne C[C@@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596505 KK Annotated Anodyne C[C@@]1(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596508 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(N1CCOCC1)Oc1c(-c3ccccc3)cccc12 ZINC000587596509 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C(N1CCOCC1)Oc1c(-c3ccccc3)cccc12 ZINC000587596514 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(N1CCOCC1)Oc1c(-c3ccccc3)cccc12 ZINC000587596518 KK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587596520 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C(N1CCOCC1)Oc1c(-c3ccccc3)cccc12 ZINC000587596521 KK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587596523 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596559 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596572 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596577 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](NC(=O)OCc3ccccc3)C[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596582 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587596586 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 ZINC000587596588 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587596590 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 ZINC000587596592 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596594 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596595 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596596 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)CC1 ZINC000587596597 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596618 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596619 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596620 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596621 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000587596641 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000587596642 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000587596644 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1 ZINC000587596647 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC)c1ccccc1 ZINC000587596682 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC)c1ccccc1 ZINC000587596686 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC)c1ccccc1 ZINC000587596688 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC)c1ccccc1 ZINC000587596691 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C(=O)O)ccc1O2 ZINC000587596692 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1cc(C(=O)O)ccc1O2 ZINC000587596694 KK Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587596728 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587596729 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587596730 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587596731 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000587596772 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000587596773 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000587596774 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C[C@@H](c1cccc(O)c1)Nc1ccc3ccccc3c12 ZINC000587596775 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596784 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596785 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596786 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596787 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587596796 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587596797 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587596798 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587596799 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596820 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596821 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596822 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587596823 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596832 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596833 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587596834 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587596835 KK Annotated Mild COC(=O)c1ccc(OCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596866 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596868 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596870 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587596872 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000587596974 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000587596975 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000587596976 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1OCc1ccccc1 ZINC000587596977 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C(=O)O)ccc1O2 ZINC000587596978 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1cc(C(=O)O)ccc1O2 ZINC000587596979 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596994 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587596995 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596996 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587596997 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1)c1ccccc1 ZINC000587597006 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1)c1ccccc1 ZINC000587597007 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1)c1ccccc1 ZINC000587597008 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1)c1ccccc1 ZINC000587597009 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587597024 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587597025 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587597026 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2C#N)CC1 ZINC000587597027 KK Annotated Mild CCCc1ccc(C(=O)COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587597147 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587597148 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587597149 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)cc1 ZINC000587597150 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587597341 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587597342 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587597343 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587597344 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597461 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C)C(=O)OCC ZINC000587597470 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(C)C)C(=O)OCC ZINC000587597471 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C)C(=O)OCC ZINC000587597472 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(C)C)C(=O)OCC ZINC000587597473 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597496 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597499 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597503 KK Annotated Anodyne C[C@@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597624 KK Annotated Anodyne C[C@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597632 KK Annotated Anodyne C[C@@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597635 KK Annotated Anodyne C[C@]1(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597637 KK Annotated Anodyne O=C1NCCC[C@@H]1[C@@]1(c2cc(-c3ccccc3)nc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597749 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc(-c2ccccc2)nc2ccccc12)[C@H]1CCCNC1=O ZINC000587597750 KK Annotated Anodyne O=C1NCCC[C@@H]1[C@]1(c2cc(-c3ccccc3)nc3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597751 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc(-c2ccccc2)nc2ccccc12)[C@H]1CCCNC1=O ZINC000587597752 KK Annotated Anodyne CCCCCCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCCCCCCCC)cc1C=O ZINC000587597880 KK Annotated Mild CCCCCCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCCCCCCCC)cc1C=O ZINC000587597883 KK Annotated Mild CCCCCCCCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCCCCCCCC)cc1C=O ZINC000587597886 KK Annotated Mild CCCCCCCCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCCCCCCCC)cc1C=O ZINC000587597888 KK Annotated Mild COC(=O)c1cccc(OCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587597905 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587597907 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)c1 ZINC000587597910 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)c1 ZINC000587597912 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC(OC)=CC4 ZINC000587597922 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC(OC)=CC4 ZINC000587597936 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC(OC)=CC4 ZINC000587597944 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC(OC)=CC4 ZINC000587597951 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597961 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@]12C ZINC000587597970 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597972 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587597975 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587597977 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@]12C ZINC000587597984 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@]12C ZINC000587597990 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@]12C ZINC000587597997 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OCC)cc1 ZINC000587598003 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587598015 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587598018 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OCC)cc1 ZINC000587598020 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OCC)cc1 ZINC000587598023 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OCC)cc1 ZINC000587598025 KK Annotated Anodyne C[C@@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598028 KK Annotated Anodyne C[C@@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598031 KK Annotated Anodyne C[C@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598034 KK Annotated Anodyne C[C@]1(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598037 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587598293 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C=O ZINC000587598297 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC ZINC000587598315 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCCC ZINC000587598317 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC ZINC000587598319 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCCC ZINC000587598320 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(C)cc1 ZINC000587598327 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(C)cc1 ZINC000587598331 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(C)cc1 ZINC000587598332 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1ccc(C)cc1 ZINC000587598333 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000587598384 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000587598387 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000587598390 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000587598395 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598409 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598418 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598421 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598424 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598472 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598478 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598479 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598481 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587598563 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587598572 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587598575 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]32)C1 ZINC000587598578 KK Annotated Mild O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@]2(c3ccc(Oc4ccccc4)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598610 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2CC1 ZINC000587598612 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2CC1 ZINC000587598613 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2CC1 ZINC000587598614 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2CC1 ZINC000587598615 KK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@@]2(c3ccc(Oc4ccccc4)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587598617 KK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@]2(c3ccc(Oc4ccccc4)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598619 KK Annotated Anodyne O=C(c1ccc(Oc2ccccc2)cc1)c1ccc([C@@]2(c3ccc(Oc4ccccc4)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587598621 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598641 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598642 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598643 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598644 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(C)c1 ZINC000587598743 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(C)c1 ZINC000587598744 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(C)c1 ZINC000587598745 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCCOc1cccc(C)c1 ZINC000587598746 KK Annotated Anodyne C[C@@]1(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598771 KK Annotated Anodyne C[C@@]1(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598772 KK Annotated Anodyne C[C@]1(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598773 KK Annotated Anodyne C[C@]1(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598774 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587598781 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587598782 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)c1 ZINC000587598784 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)c1 ZINC000587598786 KK Annotated Anodyne CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598841 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598842 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587598844 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587598847 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587598884 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587598888 KK Annotated Mild CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587598889 KK Annotated Clean COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598890 KK Annotated Anodyne COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598891 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587598892 KK Annotated Clean COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598893 KK Annotated Anodyne COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587598894 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587598896 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587598897 KK Annotated Clean COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599023 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599026 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599028 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599030 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCN(C(=O)OCc3ccccc3)CC1)CC2 ZINC000587599031 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCN(C(=O)OCc3ccccc3)CC1)CC2 ZINC000587599032 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587599087 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587599088 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587599089 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587599090 KK Annotated Anodyne C[C@@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599121 KK Annotated Anodyne C[C@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599122 KK Annotated Anodyne C[C@@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599123 KK Annotated Anodyne C[C@]1(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599124 KK Annotated Anodyne O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587599133 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587599134 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587599135 KK Annotated Bother O=C(O)CCCOc1ccc2c(c1)C(=O)c1cccc3c4c5c(cccc5c-2c13)[C@@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1cc(OCCCC(=O)O)ccc1-4 ZINC000587599136 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587599163 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587599164 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587599165 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587599167 KK Annotated Anodyne CCCCCCCCCCCC1(CCCCCCCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599201 KK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599205 KK Annotated Mild CCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587599223 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587599228 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OCC ZINC000587599230 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OCC ZINC000587599232 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587599281 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587599282 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587599283 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587599284 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599285 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599286 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599287 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599288 KK Annotated Mild COc1ccc([C@]2(c3cccc(OC)c3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587599372 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587599373 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC ZINC000587599374 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC ZINC000587599375 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599399 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599415 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599418 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599421 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599424 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599427 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599430 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)CC[C@H]32)C1 ZINC000587599433 KK Annotated Anodyne CCC(=O)O[C@]1([C@@]2(COC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587599456 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587599458 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587599461 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587599465 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599507 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599508 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599509 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599510 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599535 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599536 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587599537 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587599538 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599545 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599547 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599549 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599551 KK Annotated Mild CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599563 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599568 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599572 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599575 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599586 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599590 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599592 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599595 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587599644 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587599651 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587599654 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587599657 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599660 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599668 KK Annotated Mild CCOc1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1OCC ZINC000587599763 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1OCC ZINC000587599764 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1OCC ZINC000587599765 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1OCC ZINC000587599766 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599783 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599784 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599785 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599786 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587599803 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587599804 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587599805 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587599806 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599907 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599908 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587599909 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587599910 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587599919 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587599920 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587599921 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587599922 KK Annotated Mild C[C@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599935 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587599936 KK Annotated Anodyne C[C@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599937 KK Annotated Anodyne C[C@@]1(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587599938 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600021 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600022 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600023 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600024 KK Annotated Clean CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)=C(OC)C1=O ZINC000587600061 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)=C(OC)C1=O ZINC000587600062 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)=C(OC)C1=O ZINC000587600063 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)=C(OC)C1=O ZINC000587600064 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600099 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600100 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600101 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600102 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000587600208 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000587600210 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000587600213 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(O)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000587600215 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000587600300 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000587600311 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600371 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600372 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600373 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600374 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600529 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600531 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587600532 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587600534 KK Annotated Mild C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600613 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600621 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600622 KK Annotated Anodyne C[C@]12CC[C@H]3C(=CCc4cc(OC(=O)c5ccccc5)ccc43)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600624 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600656 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600657 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600660 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600663 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600687 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600697 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600699 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600700 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587600709 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587600713 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587600715 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587600716 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600859 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600866 KK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600869 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600873 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600878 KK Annotated Mild C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600882 KK Annotated Mild C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600884 KK Annotated Mild C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600886 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600943 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600947 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587600950 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587600954 KK Annotated Clean O=Cc1ccc(Oc2ccc(Oc3ccc([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587601271 KK Annotated Anodyne O=Cc1ccc(Oc2ccc(Oc3ccc([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587601276 KK Annotated Anodyne O=Cc1ccc(Oc2ccc(Oc3ccc([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587601278 KK Annotated Anodyne O=Cc1ccc(Oc2ccc(Oc3ccc([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)cc3)cc2)cc1 ZINC000587601280 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601348 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601349 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587601350 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587601351 KK Annotated Mild O=C1c2ccccc2C(=C2c3ccccc3C3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)c2ccccc21 ZINC000587601385 KK Annotated Anodyne O=C1c2ccccc2C(=C2c3ccccc3C3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)c2ccccc21 ZINC000587601386 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587601387 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587601388 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587601389 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587601390 KK Annotated Bother CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1ccccc1C(=O)[C@H]5C(=O)c1ccco1 ZINC000587601659 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1ccccc1C(=O)[C@@H]5C(=O)c1ccco1 ZINC000587601660 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1ccccc1C(=O)[C@@H]5C(=O)c1ccco1 ZINC000587601661 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)Oc1ccccc1C(=O)[C@H]5C(=O)c1ccco1 ZINC000587601662 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587601663 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587601664 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587601665 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587601666 KK Annotated Mild O=C(C(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587601806 KK Annotated Clean O=C(C(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587601807 KK Annotated Clean CCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601833 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601838 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601840 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601842 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601871 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601874 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587601876 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587601878 KK Annotated Mild COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(OC)cc1 ZINC000587601891 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(OC)cc1 ZINC000587601892 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(OC)cc1 ZINC000587601893 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(OC)cc1 ZINC000587601894 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587601923 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587601929 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587601931 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)C1 ZINC000587601933 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587601935 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587601936 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587601937 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587601938 KK Annotated Anodyne O=C(C[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1)c1ccccc1 ZINC000587601977 KK Annotated Anodyne O=C(C[C@H](C[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1)c1ccccc1 ZINC000587601980 KK Annotated Anodyne O=C(C[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1)c1ccccc1 ZINC000587601982 KK Annotated Anodyne O=C(C[C@H](C[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1)c1ccccc1 ZINC000587601984 KK Annotated Anodyne O=C(C(=O)c1ccc([C@@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587602008 KK Annotated Clean O=C(C(=O)c1ccc([C@]2(C(=O)c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587602009 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587602078 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587602079 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587602080 KK Annotated Clean O=C(C(=O)c1ccc(C(=O)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)c1ccccc1 ZINC000587602081 KK Annotated Clean CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602114 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602115 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602116 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602117 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602154 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602155 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602156 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602157 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587602205 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587602206 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587602207 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587602208 KK Annotated Mild O=C(O)CC[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602284 KK Annotated Bother O=C(O)CC[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587602285 KK Annotated Bother O=C(O)CC[C@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602286 KK Annotated Bother O=C(O)CC[C@@]1(c2ccc3ccc4cccc5ccc2c3c45)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587602287 KK Annotated Bother Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)ccc4c3)c(C)ccc2c1 ZINC000587602311 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)ccc4c3)c(C)ccc2c1 ZINC000587602316 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)ccc4c3)c(C)ccc2c1 ZINC000587602320 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)ccc4c3)c(C)ccc2c1 ZINC000587602322 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602440 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602441 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587602442 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587602443 KK Annotated Anodyne CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587602448 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587602449 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587602450 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587602451 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587602550 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O ZINC000587602551 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587602552 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O ZINC000587602553 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587602734 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587602738 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587602740 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587602742 KK Annotated Mild COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602753 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602756 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602757 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 ZINC000587602758 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587602775 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587602776 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587602778 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587602779 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603056 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603065 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603069 KK Annotated Mild C[C@@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603073 KK Annotated Mild COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587603089 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587603095 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 ZINC000587603098 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 ZINC000587603101 KK Annotated Anodyne O=C(O)CCCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603121 KK Annotated Anodyne O=C(O)CCCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603125 KK Annotated Anodyne O=C(O)CCCc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603126 KK Annotated Anodyne O=C(O)CCCc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603128 KK Annotated Anodyne CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603476 KK Annotated Anodyne CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603477 KK Annotated Anodyne C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603552 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603553 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603554 KK Annotated Mild C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603555 KK Annotated Mild C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603592 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587603593 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603594 KK Annotated Anodyne C[C@@H]1[C@@]2(C)CC[C@H]3[C@@](C)(CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]34C)[C@@H]2CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587603595 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(CCc2ccccc2)cc1)c1cccc2ccccc12 ZINC000587603681 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(CCc2ccccc2)cc1)c1cccc2ccccc12 ZINC000587603682 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(CCc2ccccc2)cc1)c1cccc2ccccc12 ZINC000587603683 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(CCc2ccccc2)cc1)c1cccc2ccccc12 ZINC000587603684 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603746 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603747 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587603748 KK Annotated Mild C[C@]12C=CC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587603749 KK Annotated Mild Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603778 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587603781 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603784 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587603786 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2)C(=O)C1 ZINC000587603850 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2)C(=O)C1 ZINC000587603863 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2)C(=O)C1 ZINC000587603865 KK Annotated Anodyne CC1(C)CC(=O)C([C@H](C[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2)C(=O)C1 ZINC000587603868 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)CC1 ZINC000587603984 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)CC1 ZINC000587603989 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)CC1 ZINC000587603992 KK Annotated Anodyne CC(C)(C)C1CCC(C[C@@H]2C(=O)c3ccccc3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)CC1 ZINC000587603995 KK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587604118 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587604119 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587604120 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@]2(C)C=CC(=O)C=C12 ZINC000587604121 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000587604179 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000587604180 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000587604181 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 ZINC000587604182 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604359 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604360 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604361 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604362 KK Annotated Mild CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C(C)(C)[C@@H]2CC[C@]13C ZINC000587604458 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C(C)(C)[C@H]2CC[C@]13C ZINC000587604459 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C(C)(C)[C@H]2CC[C@]13C ZINC000587604460 KK Annotated Anodyne CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C(C)(C)[C@@H]2CC[C@]13C ZINC000587604461 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604496 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587604497 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604498 KK Annotated Clean O=C1c2ccccc2C(=O)c2cc3c(cc21)C(=O)c1ccccc1[C@]31Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587604499 KK Annotated Clean C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1ccccc1C(=O)[C@@H]5C(=O)c1ccco1 ZINC000587604674 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1ccccc1C(=O)[C@@H]5C(=O)c1ccco1 ZINC000587604675 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1ccccc1C(=O)[C@H]5C(=O)c1ccco1 ZINC000587604676 KK Annotated Anodyne C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@]5(CC[C@]4(C)[C@H]3CC(=O)[C@@]21C)Oc1ccccc1C(=O)[C@H]5C(=O)c1ccco1 ZINC000587604677 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587604732 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587604733 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587604734 KK Annotated Anodyne C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587604735 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C(=O)CSc1ccc3ccccc3c1)CC2 ZINC000587604909 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C(=O)CSc1ccc3ccccc3c1)CC2 ZINC000587604910 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587604923 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587604924 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587604925 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2cc(Br)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587604926 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587604958 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587604959 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587604960 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587604961 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587604993 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587604997 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br ZINC000587604998 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br ZINC000587605000 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000587605002 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000587605009 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000587605011 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000587605013 KK Annotated Reactive C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@@]1(C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605053 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@]1(C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605057 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@@]1(C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605060 KK Annotated Anodyne C[C@@]12CCC[C@@](C)(C(=O)O)[C@H]1CC[C@]13C[C@](C)(CC[C@@H]21)[C@]1(C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605063 KK Annotated Anodyne C[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605116 KK Annotated Anodyne C[C@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605117 KK Annotated Anodyne C[C@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605118 KK Annotated Anodyne C[C@@]1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605119 KK Annotated Anodyne CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605161 KK Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605167 KK Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605168 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605169 KK Annotated Unstable Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587605186 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587605187 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587605188 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn2C)cc1 ZINC000587605189 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605190 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605191 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605192 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605193 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587605194 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587605195 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 ZINC000587605196 KK Annotated Anodyne CN(C)S(=O)(=O)c1ccc2[nH]c(C(C)(C)C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 ZINC000587605197 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587605213 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587605221 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587605224 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587605226 KK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605271 KK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605272 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605273 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605274 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccccn1)c1ccc(Br)cc1 ZINC000587605285 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1ccccn1)c1ccc(Br)cc1 ZINC000587605286 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccccn1)c1ccc(Br)cc1 ZINC000587605287 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1ccccn1)c1ccc(Br)cc1 ZINC000587605288 KK Annotated Anodyne O=C1c2cc3ccccc3cc2C2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc3ccccc3cc21 ZINC000587605348 KK Annotated Anodyne O=C1c2cc3ccccc3cc2C2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc3ccccc3cc21 ZINC000587605350 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(Oc7ccccc7C(=O)[C@@H]6C(=O)c6ccco6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587605390 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(Oc7ccccc7C(=O)[C@H]6C(=O)c6ccco6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587605391 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(Oc7ccccc7C(=O)[C@H]6C(=O)c6ccco6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587605393 KK Annotated Mild CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605396 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(Oc7ccccc7C(=O)[C@@H]6C(=O)c6ccco6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587605397 KK Annotated Mild CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605399 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605402 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605405 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605428 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605437 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605438 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605440 KK Annotated Anodyne Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605441 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605448 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587605450 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587605452 KK Annotated Reactive COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587605467 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587605468 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587605469 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 ZINC000587605470 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(NS(=O)(=O)N2CCCCC2)cc1 ZINC000587605639 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605655 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(NS(=O)(=O)N2CCCCC2)cc1 ZINC000587605656 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccc(NS(=O)(=O)N2CCCCC2)cc1 ZINC000587605658 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccc(NS(=O)(=O)N2CCCCC2)cc1 ZINC000587605660 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1O ZINC000587605662 KK Annotated Mild CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605665 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605668 KK Annotated Anodyne CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605670 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1O ZINC000587605676 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1O ZINC000587605680 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1O ZINC000587605681 KK Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587605718 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587605721 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587605723 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587605725 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587605727 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587605731 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587605734 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587605737 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC1=C(c3ccccc3)c3cc(O)c(O)cc3OC1=CC2=O ZINC000587605853 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC1=C(c3ccccc3)c3cc(O)c(O)cc3OC1=CC2=O ZINC000587605857 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CC1=C(c3ccccc3)c3cc(O)c(O)cc3OC1=CC2=O ZINC000587605861 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CC1=C(c3ccccc3)c3cc(O)c(O)cc3OC1=CC2=O ZINC000587605862 KK Annotated Mild COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587605897 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587605898 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587605899 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587605900 KK Annotated Bother CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)[C@@H]1CC3 ZINC000587605923 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)[C@@H]1CC3 ZINC000587605924 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)[C@@H]1CC3 ZINC000587605925 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)[C@@H]1CC3 ZINC000587605926 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605953 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605954 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587605955 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587605956 KK Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2CCC(=O)C=C12 ZINC000587605973 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]2CCC(=O)C=C12 ZINC000587605974 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]2CCC(=O)C=C12 ZINC000587605975 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]2CCC(=O)C=C12 ZINC000587605976 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606013 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606014 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606015 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606016 KK Annotated Mild COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587606051 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587606052 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587606053 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587606054 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2SCC(=O)O)cc1 ZINC000587606067 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2SCC(=O)O)cc1 ZINC000587606068 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2SCC(=O)O)cc1 ZINC000587606069 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2SCC(=O)O)cc1 ZINC000587606070 KK Annotated Anodyne CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606075 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606079 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606080 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606081 KK Annotated Unstable CCCOc1ccn2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587606094 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587606095 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587606096 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587606097 KK Annotated Anodyne Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587606102 KK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587606103 KK Annotated Clean Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587606104 KK Annotated Clean Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587606105 KK Annotated Clean C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606113 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606115 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606116 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606117 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606118 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606119 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606120 KK Annotated Anodyne C[C@]1(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606121 KK Annotated Anodyne COc1cc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3O2)cc(OC)c1OC ZINC000587606138 KK Annotated Anodyne COc1cc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3O2)cc(OC)c1OC ZINC000587606139 KK Annotated Anodyne COc1cc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3O2)cc(OC)c1OC ZINC000587606140 KK Annotated Anodyne COc1cc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3O2)cc(OC)c1OC ZINC000587606141 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)OCC2 ZINC000587606188 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)OCC2 ZINC000587606189 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)OCC2 ZINC000587606190 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)OCC2 ZINC000587606191 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606208 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606209 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606210 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606211 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606238 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606239 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606240 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606241 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606242 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606243 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606244 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606245 KK Annotated Mild C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3C[C@]4(C[C@@]3(C)CC[C@H]12)Oc1ccccc1C(=O)[C@H]4C(=O)c1ccco1 ZINC000587606283 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3C[C@@]4(C[C@@]3(C)CC[C@H]12)Oc1ccccc1C(=O)[C@H]4C(=O)c1ccco1 ZINC000587606291 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3C[C@@]4(C[C@@]3(C)CC[C@H]12)Oc1ccccc1C(=O)[C@@H]4C(=O)c1ccco1 ZINC000587606293 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]3C[C@]4(C[C@@]3(C)CC[C@H]12)Oc1ccccc1C(=O)[C@@H]4C(=O)c1ccco1 ZINC000587606294 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587606339 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587606340 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587606341 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587606342 KK Annotated Bother Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606374 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606381 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587606382 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587606383 KK Annotated Reactive CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606412 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606413 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587606414 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587606415 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587606438 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587606439 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587606440 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587606441 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587606602 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587606604 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587606605 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587606606 KK Annotated Anodyne COC(=O)C([C@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606674 KK Annotated Unstable COC(=O)C([C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606675 KK Annotated Unstable COC(=O)C([C@@]1(C2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606677 KK Annotated Unstable COC(=O)C([C@]1(C2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606678 KK Annotated Unstable Cc1c(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606793 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606794 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606795 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587606796 KK Annotated Anodyne C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606825 KK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606826 KK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606827 KK Annotated Mild C[C@]12C=CC(=O)C=C1[C@]1(CO1)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606828 KK Annotated Mild COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccc4ccccc4c3O2)cc1OC ZINC000587606857 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccc4ccccc4c3O2)cc1OC ZINC000587606858 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccc4ccccc4c3O2)cc1OC ZINC000587606859 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccc4ccccc4c3O2)cc1OC ZINC000587606860 KK Annotated Anodyne CCC([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606887 KK Annotated Unstable CCC([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606888 KK Annotated Unstable CCC([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606889 KK Annotated Unstable CCC([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606890 KK Annotated Unstable Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606899 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606900 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606901 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c1C ZINC000587606902 KK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606915 KK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606916 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587606917 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606918 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606923 KK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606924 KK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606925 KK Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587606926 KK Annotated Unstable COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1S(=O)(=O)Cl ZINC000587606927 KK Annotated Unstable COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1S(=O)(=O)Cl ZINC000587606928 KK Annotated Unstable COc1ccc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1S(=O)(=O)Cl ZINC000587606929 KK Annotated Unstable COc1ccc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1S(=O)(=O)Cl ZINC000587606930 KK Annotated Unstable Cc1nc(SC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1 ZINC000587606957 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1 ZINC000587606958 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n[nH]1 ZINC000587606959 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n[nH]1 ZINC000587606960 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@@]1(CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587606999 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@@]1(CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607000 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@]1(CO)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607001 KK Annotated Mild C[C@]12CC[C@H]3[C@@]4(C)CCC(=O)C=C4CC[C@]3(C)[C@H]1CC[C@H]2[C@]1(CO)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607002 KK Annotated Mild CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607077 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607078 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587607079 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587607080 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587607135 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587607138 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587607139 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587607140 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000587607141 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587607143 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@@]2(c4ccccc4)Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587607145 KK Annotated Anodyne CC1(C)Oc2c3c(cc(O)c2[C@]2(c4ccccc4)Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)O[C@]2(C)CC[C@@H]1[C@H]3C2 ZINC000587607148 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1 ZINC000587607149 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1 ZINC000587607150 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1 ZINC000587607152 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1 ZINC000587607153 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587607188 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587607189 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587607192 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587607195 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607224 KK Annotated Anodyne COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C ZINC000587607228 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C ZINC000587607229 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C ZINC000587607230 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C ZINC000587607231 KK Annotated Reactive COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607239 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607242 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607243 KK Annotated Anodyne CC([C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587607259 KK Annotated Unstable CC([C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587607260 KK Annotated Unstable CC([C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587607261 KK Annotated Unstable CC([C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587607262 KK Annotated Unstable Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1O ZINC000587607338 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1O ZINC000587607339 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1O ZINC000587607340 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1O ZINC000587607341 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCC2 ZINC000587607356 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCC2 ZINC000587607357 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCC2 ZINC000587607358 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCC2 ZINC000587607359 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587607360 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587607361 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 ZINC000587607362 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 ZINC000587607363 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587607473 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587607493 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587607495 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587607496 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl ZINC000587607530 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl ZINC000587607532 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl ZINC000587607534 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl ZINC000587607535 KK Annotated Reactive CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C3=O ZINC000587607608 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C3=O ZINC000587607616 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C3=O ZINC000587607620 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C3=O ZINC000587607622 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587607711 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587607715 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587607717 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587607719 KK Annotated Reactive CS(=O)(=O)c1cccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587607822 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587607838 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587607841 KK Annotated Anodyne CS(=O)(=O)c1cccc([C@]2(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587607844 KK Annotated Anodyne C=CCn1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1=NS(=O)(=O)c1cccs1 ZINC000587607854 KK Annotated Mild C=CCn1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1=NS(=O)(=O)c1cccs1 ZINC000587607860 KK Annotated Mild C=CCn1c(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1=NS(=O)(=O)c1cccs1 ZINC000587607861 KK Annotated Mild C=CCn1c(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1=NS(=O)(=O)c1cccs1 ZINC000587607863 KK Annotated Mild O=C(O)c1ccccc1SC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607871 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607887 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607888 KK Annotated Anodyne O=C(O)c1ccccc1SC[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607891 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000587607953 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000587607954 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C[C@@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000587607955 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C[C@H](c1ccccc1)c1ccccc1O)c1ccccc1 ZINC000587607957 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607973 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607984 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587607985 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587607986 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587607988 KK Annotated Bother Cc1c(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587607989 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587607991 KK Annotated Bother Cc1c(O[C@H](C)[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc2c1oc(=O)c1ccccc12 ZINC000587607993 KK Annotated Bother O=C1c2cccc3c2C2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587608005 KK Annotated Anodyne O=C1c2cccc3c2C2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)c2c(cccc21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587608009 KK Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)[C@H]13 ZINC000587608046 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)[C@H]13 ZINC000587608049 KK Annotated Mild C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587608050 KK Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)[C@H]13 ZINC000587608051 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)[C@H]13 ZINC000587608052 KK Annotated Mild C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587608054 KK Annotated Anodyne C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587608055 KK Annotated Anodyne C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587608058 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1OC ZINC000587608106 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1OC ZINC000587608107 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1OC ZINC000587608108 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1OC ZINC000587608109 KK Annotated Anodyne C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608140 KK Annotated Unstable C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608141 KK Annotated Unstable C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608142 KK Annotated Unstable C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608143 KK Annotated Unstable CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587608144 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587608145 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587608146 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587608147 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl ZINC000587608176 KK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl ZINC000587608177 KK Annotated Unstable O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl ZINC000587608178 KK Annotated Unstable O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)CCl ZINC000587608179 KK Annotated Unstable CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608188 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608189 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608190 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608191 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608192 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608193 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608194 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608195 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587608200 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587608201 KK Annotated Bother COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587608202 KK Annotated Bother COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587608203 KK Annotated Bother COP(=O)(C[C@]1(COc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587608212 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587608213 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OC ZINC000587608214 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OC ZINC000587608215 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587608222 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587608223 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587608224 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587608225 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587608276 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587608279 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587608281 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587608283 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608369 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608375 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608377 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608379 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608393 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608395 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608398 KK Annotated Anodyne COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608400 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(O)cc1O2 ZINC000587608413 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(O)cc1O2 ZINC000587608414 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(O)cc1O2 ZINC000587608415 KK Annotated Anodyne CC(C)(C)C1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(O)cc1O2 ZINC000587608416 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587608550 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587608551 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587608552 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C(C)(C)[C@@H]3CC[C@]12C ZINC000587608553 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608578 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608582 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608583 KK Annotated Bother Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608585 KK Annotated Bother CC(C)(C)c1cc(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608606 KK Annotated Anodyne CC(C)(C)c1cc(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608608 KK Annotated Anodyne CC(C)(C)c1cc(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608609 KK Annotated Anodyne CC(C)(C)c1cc(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O ZINC000587608610 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608629 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587608635 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608637 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608639 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608640 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587608642 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608643 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608646 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608696 KK Annotated Anodyne C[C@H]1COC2=C1C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c2ccc2c1CCCC2(C)C ZINC000587608699 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608700 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608701 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)o2)cc1 ZINC000587608702 KK Annotated Anodyne C[C@H]1COC2=C1C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c2ccc2c1CCCC2(C)C ZINC000587608712 KK Annotated Mild C[C@H]1COC2=C1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c2ccc2c1CCCC2(C)C ZINC000587608713 KK Annotated Mild C[C@H]1COC2=C1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c2ccc2c1CCCC2(C)C ZINC000587608714 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12 ZINC000587608721 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12 ZINC000587608724 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12 ZINC000587608725 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(S(=O)(=O)c2ccccc2)c2cc(Br)ccc12 ZINC000587608726 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC1(CC4)OCCO1 ZINC000587608739 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC1(CC4)OCCO1 ZINC000587608743 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)CC1(CC4)OCCO1 ZINC000587608746 KK Annotated Anodyne C[C@]12CC=C3C4=C(CC[C@H]3[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)CC1(CC4)OCCO1 ZINC000587608748 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587608760 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587608763 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587608765 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587608766 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587608818 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587608819 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608904 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608915 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608919 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587608921 KK Annotated Anodyne C[C@@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608922 KK Annotated Anodyne C[C@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608926 KK Annotated Anodyne C[C@@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587608928 KK Annotated Anodyne C[C@]1(CSc2nc3cc(Cl)c4cccnc4c3o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587608929 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609007 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609009 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587609011 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587609014 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609044 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609046 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609048 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609050 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609069 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609073 KK Annotated Anodyne O=C1c2c3cccc2C2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)c2cccc(c21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587609129 KK Annotated Anodyne O=C1c2c3cccc2C2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)c2cccc(c21)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587609131 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587609186 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587609187 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587609188 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587609189 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609311 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609315 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609317 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609318 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587609335 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587609336 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587609337 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587609338 KK Annotated Mild O=C(CSC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1Cl ZINC000587609347 KK Annotated Anodyne O=C(CSC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1Cl ZINC000587609352 KK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)Nc1ccccc1Cl ZINC000587609354 KK Annotated Anodyne O=C(CSC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)Nc1ccccc1Cl ZINC000587609357 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000587609371 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000587609377 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000587609379 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000587609381 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587609423 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609427 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587609428 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609429 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609431 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)CC1 ZINC000587609434 KK Annotated Anodyne Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609441 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609442 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609443 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609444 KK Annotated Reactive O=C(O)COc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587609490 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587609491 KK Annotated Anodyne O=C(O)COc1ccc([C@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587609492 KK Annotated Anodyne O=C(O)COc1ccc([C@@]2(c3cccs3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl ZINC000587609493 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)nc1C ZINC000587609507 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)nc1C ZINC000587609509 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)nc1C ZINC000587609511 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)nc1C ZINC000587609514 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H]1O ZINC000587609517 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H]1O ZINC000587609518 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]1O ZINC000587609520 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]1O ZINC000587609522 KK Annotated Mild C[C@]1(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609562 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609563 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609564 KK Annotated Anodyne C[C@]1(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609565 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609590 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587609591 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609592 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587609593 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609652 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609653 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587609654 KK Annotated Bother Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587609655 KK Annotated Bother CC(C)(C)c1ccc([C@H](O)[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609718 KK Annotated Anodyne CC(C)(C)c1ccc([C@H](O)[C@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609719 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000587609815 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000587609830 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000587609832 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000587609835 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587609878 KK Annotated Unstable N#CCc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609884 KK Annotated Mild N#CCc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609886 KK Annotated Mild N#CCc1ccc([C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587609887 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587609889 KK Annotated Unstable N#CCc1ccc([C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587609891 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CSc1nnnn1-c1ccccc1)c1cccc2ccccc12 ZINC000587609928 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nnnn1-c1ccccc1)c1cccc2ccccc12 ZINC000587609930 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnnn1-c1ccccc1)c1cccc2ccccc12 ZINC000587609932 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nnnn1-c1ccccc1)c1cccc2ccccc12 ZINC000587609936 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(Cc2cccs2)c1C ZINC000587609947 KK Annotated Anodyne CCOC(=O)c1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n(Cc2cccs2)c1C ZINC000587609949 KK Annotated Anodyne CCOC(=O)c1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(Cc2cccs2)c1C ZINC000587609950 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n(Cc2cccs2)c1C ZINC000587609951 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587609972 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587609979 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609988 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609990 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587609991 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587609992 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587610018 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587610019 KK Annotated Anodyne CC(C)(C)c1ccc([C@H](O)[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610023 KK Annotated Anodyne CC(C)(C)c1ccc([C@H](O)[C@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587610024 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587610041 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(Oc4ccccc4C(=O)[C@@H]2C(=O)c2ccco2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587610046 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587610048 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610049 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610050 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(Oc4ccccc4C(=O)[C@H]2C(=O)c2ccco2)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587610051 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610052 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610054 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1CCCc2ccccc21 ZINC000587610085 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@H]2[C@@H]1CCCc2ccccc21 ZINC000587610087 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1CCCc2ccccc21 ZINC000587610089 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@H]2[C@H]1CCCc2ccccc21 ZINC000587610092 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587610116 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Br)cc1 ZINC000587610118 KK Annotated Anodyne COc1ccc(Sc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587610120 KK Annotated Anodyne COc1ccc(Sc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587610126 KK Annotated Anodyne COc1ccc(Sc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587610128 KK Annotated Anodyne COc1ccc(Sc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(-c3ccccc3)nn2C)cc1 ZINC000587610130 KK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000587610139 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610150 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610151 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587610152 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610153 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1OC ZINC000587610154 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610156 KK Annotated Anodyne Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000587610158 KK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000587610160 KK Annotated Anodyne Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1SCc1ccc(Cl)c(Cl)c1 ZINC000587610161 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587610187 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587610204 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587610210 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587610217 KK Annotated Anodyne C[C@H]1COC2=C1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587610281 KK Annotated Anodyne C[C@H]1COC2=C1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587610289 KK Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610313 KK Annotated Anodyne C[C@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610319 KK Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610323 KK Annotated Anodyne C[C@@]1(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610326 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587610330 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587610331 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587610333 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587610336 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1OCC ZINC000587610348 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1OCC ZINC000587610352 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)cc1OCC ZINC000587610354 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)cc1OCC ZINC000587610356 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587610386 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587610388 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587610390 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587610393 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1scc(Br)c1Br ZINC000587610451 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1scc(Br)c1Br ZINC000587610454 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1scc(Br)c1Br ZINC000587610457 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1scc(Br)c1Br ZINC000587610460 KK Annotated Reactive C[C@H]1COC2=C1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587610548 KK Annotated Anodyne C[C@H]1COC2=C1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c2ccc2c1CCCC2(C)C ZINC000587610551 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1c(O)c1ccccc1c2O ZINC000587610560 KK Annotated Anodyne O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1c(O)c1ccccc1c2O ZINC000587610564 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2c1c(O)c1ccccc1c2O ZINC000587610566 KK Annotated Anodyne O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2c1c(O)c1ccccc1c2O ZINC000587610569 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2sccc2Br)cc1 ZINC000587610621 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(-c2sccc2Br)cc1 ZINC000587610628 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2sccc2Br)cc1 ZINC000587610630 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2sccc2Br)cc1 ZINC000587610631 KK Annotated Reactive CC(=O)OC[C@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610702 KK Annotated Mild CC(=O)OC[C@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610710 KK Annotated Mild CC(=O)OC[C@@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587610715 KK Annotated Mild CC(=O)OC[C@@]1([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587610721 KK Annotated Mild CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587610738 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587610740 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587610742 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587610743 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(O)cc2O1 ZINC000587610745 KK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587610759 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 ZINC000587610760 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 ZINC000587610761 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)C1=O ZINC000587610766 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(C)(C)C1=O ZINC000587610786 KK Annotated Mild O=C(O)CSc1ccc2c3c(cccc13)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610793 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)C1=O ZINC000587610796 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(C)(C)C1=O ZINC000587610802 KK Annotated Mild O=C(O)CSc1ccc2c3c(cccc13)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610804 KK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610810 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587610815 KK Annotated Anodyne O=C(O)CSc1ccc2c3c(cccc13)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587610816 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)C(C)(C)[C@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587610832 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6ccccc6C(=O)[C@@H]5C(=O)c5ccco5)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587610837 KK Annotated Anodyne C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC[C@]5(Oc6ccccc6C(=O)[C@H]5C(=O)c5ccco5)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000587610846 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cc2cc(Br)ccc2o1)c1cccs1 ZINC000587610852 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=C1Oc3cc(O)c(O)cc3C(c3ccccc3)=C1CC2=O ZINC000587610861 KK Annotated Clean O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cc2cc(Br)ccc2o1)c1cccs1 ZINC000587610862 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cc2cc(Br)ccc2o1)c1cccs1 ZINC000587610864 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C1Oc3cc(O)c(O)cc3C(c3ccccc3)=C1CC2=O ZINC000587610865 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cc2cc(Br)ccc2o1)c1cccs1 ZINC000587610867 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=C1Oc3cc(O)c(O)cc3C(c3ccccc3)=C1CC2=O ZINC000587610868 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C1Oc3cc(O)c(O)cc3C(c3ccccc3)=C1CC2=O ZINC000587610874 KK Annotated Clean CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610947 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610954 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587610957 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587610959 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587610972 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587610976 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587610979 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)c1 ZINC000587610981 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611013 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611014 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611016 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611017 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587611043 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587611046 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587611049 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc32)cc1 ZINC000587611051 KK Annotated Anodyne COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611095 KK Annotated Reactive COC(=O)c1ccc([C@]2(C(Br)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611098 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587611099 KK Annotated Reactive COC(=O)c1ccc([C@]2(C(Br)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587611100 KK Annotated Reactive COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611128 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611137 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587611139 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587611140 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587611155 KK Annotated Anodyne COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587611166 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587611168 KK Annotated Anodyne COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587611170 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587611201 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587611205 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cc1 ZINC000587611207 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cc1 ZINC000587611210 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000587611211 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)c([N+](=O)[O-])c1 ZINC000587611213 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)c([N+](=O)[O-])c1 ZINC000587611217 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)c([N+](=O)[O-])c1 ZINC000587611218 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)c([N+](=O)[O-])c1 ZINC000587611219 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000587611220 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000587611221 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1)c1ccccn1 ZINC000587611222 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000587611233 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000587611234 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000587611235 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000587611237 KK Annotated Bother CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611260 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611264 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587611268 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587611270 KK Annotated Anodyne Cn1c(SCc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611272 KK Annotated Anodyne Cn1c(SCc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611281 KK Annotated Anodyne CC(C)(C)[C@@]1(CSc2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611303 KK Annotated Anodyne CC(C)(C)[C@@]1(CSc2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611304 KK Annotated Anodyne CC(C)(C)[C@]1(CSc2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611306 KK Annotated Anodyne CC(C)(C)[C@]1(CSc2nc(-c3ccccc3)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611308 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587611384 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587611386 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587611388 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587611391 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587611445 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587611467 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587611468 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587611469 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCOC3=CC4=O ZINC000587611488 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1)OCOC3=CC4=O ZINC000587611489 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCOC3=CC4=O ZINC000587611490 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1)OCOC3=CC4=O ZINC000587611491 KK Annotated Mild COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc(OC)c1OC ZINC000587611516 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc(OC)c1OC ZINC000587611517 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc(OC)c1OC ZINC000587611518 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc(OC)c1OC ZINC000587611519 KK Annotated Anodyne Cn1c(SCc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611558 KK Annotated Anodyne Cn1c(SCc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611559 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611572 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611573 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611574 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611575 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611576 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611577 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611578 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587611579 KK Annotated Mild Cn1cnnc1SCc1cc(Cl)cc2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)coc12 ZINC000587611624 KK Annotated Anodyne Cn1cnnc1SCc1cc(Cl)cc2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)coc12 ZINC000587611625 KK Annotated Anodyne Cn1cnnc1SCc1cc(Cl)cc2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)coc12 ZINC000587611626 KK Annotated Anodyne Cn1cnnc1SCc1cc(Cl)cc2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)coc12 ZINC000587611628 KK Annotated Anodyne Cn1c(Sc2ccc(Br)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611649 KK Annotated Anodyne Cn1c(Sc2ccc(Br)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611650 KK Annotated Anodyne Cn1c(Sc2ccc(Br)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611651 KK Annotated Anodyne Cn1c(Sc2ccc(Br)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587611652 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(SCc2ccccc2)ncn1-c1ccccc1 ZINC000587611667 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(SCc2ccccc2)ncn1-c1ccccc1 ZINC000587611670 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(SCc2ccccc2)ncn1-c1ccccc1 ZINC000587611675 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(SCc2ccccc2)ncn1-c1ccccc1 ZINC000587611678 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587611778 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587611779 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587611780 KK Annotated Anodyne C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@H]([C@]4(C)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@@]3(C)CC(=O)[C@@H]12 ZINC000587611782 KK Annotated Anodyne Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611817 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587611822 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611824 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587611827 KK Annotated Bother CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(O)ccc(O)c1O2 ZINC000587611995 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c(O)ccc(O)c1O2 ZINC000587612001 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)ccc(O)c1O2 ZINC000587612005 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)ccc(O)c1O2 ZINC000587612007 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)Oc2ccccc21 ZINC000587612055 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)Oc2ccccc21 ZINC000587612061 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)Oc2ccccc21 ZINC000587612064 KK Annotated Anodyne O=C1CCCC(=O)C1[C@@H]1C2=C(CCC[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)Oc2ccccc21 ZINC000587612068 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587612110 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587612112 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587612113 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3C[C@H]3O[C@]32[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587612114 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 ZINC000587612271 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 ZINC000587612273 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 ZINC000587612275 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ccc(-c3ccc(Br)s3)s2)s1 ZINC000587612277 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612302 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612305 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612306 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612307 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612308 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612309 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612310 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612311 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC(Sc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 ZINC000587612320 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC(Sc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 ZINC000587612321 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC(Sc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)C1 ZINC000587612322 KK Annotated Anodyne CC(C)(C)OC(=O)N1CC(Sc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)C1 ZINC000587612323 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C ZINC000587612332 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C ZINC000587612333 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C ZINC000587612334 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)nn1C ZINC000587612335 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612382 KK Annotated Bother Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612383 KK Annotated Bother Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612384 KK Annotated Bother Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612385 KK Annotated Bother O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@]41Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612434 KK Annotated Bother O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@@]41Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612435 KK Annotated Bother O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@@]41Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612436 KK Annotated Bother O=C1c2cc(O)ccc2-c2c3cccc4c3c(c3cccc1c23)-c1ccc(O)cc1[C@]41Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612437 KK Annotated Bother COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587612498 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587612499 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587612500 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587612501 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587612542 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587612543 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 ZINC000587612544 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 ZINC000587612545 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587612580 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587612581 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587612582 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccc(Cl)cc1 ZINC000587612583 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Br)cc2)s1 ZINC000587612607 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Br)cc2)s1 ZINC000587612609 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Br)cc2)s1 ZINC000587612611 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Br)cc2)s1 ZINC000587612613 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587612659 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587612667 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587612669 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2[nH]1 ZINC000587612670 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)nc1C ZINC000587612686 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)nc1C ZINC000587612700 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)nc1C ZINC000587612701 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)nc1C ZINC000587612703 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587612708 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587612712 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587612713 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587612714 KK Annotated Anodyne COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612716 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587612721 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612724 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587612726 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)cs1 ZINC000587612732 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)cs1 ZINC000587612734 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)cs1 ZINC000587612736 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612737 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccc(OCc3ccccc3)cc2)cs1 ZINC000587612738 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612740 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612741 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612743 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000587612784 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000587612785 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000587612786 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCCc1ccc(O)cc1)CCc1ccc(O)cc1 ZINC000587612787 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612846 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612847 KK Annotated Anodyne O=C(O)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612848 KK Annotated Anodyne O=C(O)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612849 KK Annotated Anodyne O=Cc1sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1Br ZINC000587612933 KK Annotated Anodyne O=Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1Br ZINC000587612936 KK Annotated Anodyne O=Cc1sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1Br ZINC000587612937 KK Annotated Anodyne O=Cc1sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1Br ZINC000587612939 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612947 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612950 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587612953 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587612955 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)cccc1O3)[C@@H]1C=CO[C@H]1O2 ZINC000587612964 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)cccc1O3)[C@H]1C=CO[C@@H]1O2 ZINC000587612968 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)cccc1O3)[C@H]1C=CO[C@H]1O2 ZINC000587612970 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(Oc4ccccc4C(=O)[C@@H]1C(=O)c1ccco1)c1c(O)cccc1O3)[C@@H]1C=CO[C@@H]1O2 ZINC000587612973 KK Annotated Anodyne O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587612976 KK Annotated Anodyne O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587612978 KK Annotated Anodyne O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587612979 KK Annotated Anodyne O=C(N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCC1c2ccccc2-c2ccccc21 ZINC000587612980 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]1C2 ZINC000587613006 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]1C2 ZINC000587613014 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@H]1C2 ZINC000587613017 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@H]1C2 ZINC000587613020 KK Annotated Mild C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613023 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613024 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613028 KK Annotated Anodyne C[C@]1(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613030 KK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613086 KK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613094 KK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613097 KK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613099 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587613168 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587613169 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587613170 KK Annotated Anodyne Cn1nc(-c2ccccc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Sc1ccccc1 ZINC000587613171 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587613176 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587613177 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587613178 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587613179 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587613220 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587613222 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587613224 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587613226 KK Annotated Mild Cc1ccc([C@@]2(c3cc(Br)sc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613311 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613312 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587613314 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587613315 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000587613328 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000587613329 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000587613330 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(-c2ccccc2)cc1)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000587613331 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587613356 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587613357 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587613358 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587613361 KK Annotated Bother CC1(C)[C@H]2c3c(cc(O)c([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587613387 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587613393 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587613397 KK Annotated Anodyne CC1(C)[C@H]2c3c(cc(O)c([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)c3O)O[C@@]3(C)CC[C@@H]1[C@H]23 ZINC000587613398 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587613438 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587613447 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587613449 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587613452 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613473 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613480 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613482 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613484 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613503 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613504 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613505 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613506 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613515 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613516 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587613517 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587613518 KK Annotated Anodyne Cn1c(Sc2c(Cl)cccc2Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613642 KK Annotated Anodyne Cn1c(Sc2c(Cl)cccc2Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613643 KK Annotated Anodyne Cn1c(Sc2c(Cl)cccc2Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613644 KK Annotated Anodyne Cn1c(Sc2c(Cl)cccc2Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613645 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Sc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587613668 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc(Sc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587613669 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Sc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587613670 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc(Sc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587613671 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613692 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613693 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613694 KK Annotated Anodyne CN(C)/C=C\[C@]1(c2cnc(-c3ccc(Cl)cc3)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613695 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613741 KK Annotated Anodyne Cn1c(Sc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613742 KK Annotated Anodyne Cn1c(Sc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613743 KK Annotated Anodyne Cn1c(Sc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613744 KK Annotated Anodyne Cn1c(Sc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587613745 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613747 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613748 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613749 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613888 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613890 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613892 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613894 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613897 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613900 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587613902 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587613905 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587613941 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587613942 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C ZINC000587613944 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C ZINC000587613945 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587613967 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587613970 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587613971 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587613972 KK Annotated Anodyne COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613985 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613988 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587613990 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587613991 KK Annotated Bother CC1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587613992 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587613993 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587613994 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccc(OCC(=O)O)cc1O2 ZINC000587613995 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587613996 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587613997 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587613998 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587613999 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587614004 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587614005 KK Annotated Anodyne COc1ccc(C2=C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587614006 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587614007 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614032 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614038 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614040 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614043 KK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614047 KK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614052 KK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587614058 KK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587614063 KK Annotated Anodyne C[C@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614188 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614197 KK Annotated Anodyne C[C@@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614199 KK Annotated Anodyne C[C@@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614202 KK Annotated Anodyne C[C@]1(c2sccc2NC(=O)c2ccccc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614204 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614206 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614210 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614219 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1scc(Br)c1Br ZINC000587614225 KK Annotated Reactive Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)C2CC2)cc1 ZINC000587614228 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1scc(Br)c1Br ZINC000587614229 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1scc(Br)c1Br ZINC000587614230 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1scc(Br)c1Br ZINC000587614231 KK Annotated Reactive Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)C2CC2)cc1 ZINC000587614233 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)C2CC2)cc1 ZINC000587614234 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)C2CC2)cc1 ZINC000587614235 KK Annotated Anodyne Cn1c(Sc2ccccc2Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587614248 KK Annotated Anodyne Cn1c(Sc2ccccc2Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587614251 KK Annotated Anodyne Cn1c(Sc2ccccc2Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587614253 KK Annotated Anodyne Cn1c(Sc2ccccc2Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 ZINC000587614256 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CSc3ncccn3)cc(Cl)cc2c1=O ZINC000587614334 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CSc3ncccn3)cc(Cl)cc2c1=O ZINC000587614335 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CSc3ncccn3)cc(Cl)cc2c1=O ZINC000587614336 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CSc3ncccn3)cc(Cl)cc2c1=O ZINC000587614338 KK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587614362 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587614364 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 ZINC000587614365 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 ZINC000587614367 KK Annotated Reactive O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000587614369 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000587614371 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000587614373 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000587614375 KK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Br)cc1 ZINC000587614377 KK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Br)cc1 ZINC000587614379 KK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2Br)cc1 ZINC000587614381 KK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2Br)cc1 ZINC000587614383 KK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587614407 KK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587614408 KK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587614409 KK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 ZINC000587614410 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(Sc2nc3ccccc3o2)nc1Cl ZINC000587614435 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Sc2nc3ccccc3o2)nc1Cl ZINC000587614436 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(Sc2nc3ccccc3o2)nc1Cl ZINC000587614437 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(Sc2nc3ccccc3o2)nc1Cl ZINC000587614439 KK Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1OC ZINC000587614496 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1OC ZINC000587614497 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1OC ZINC000587614498 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1OC ZINC000587614499 KK Annotated Reactive CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614694 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614695 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614696 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614697 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Br)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614800 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587614801 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Br)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614802 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1nc(Br)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587614803 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614929 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614934 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587614935 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587614936 KK Annotated Reactive Cc1coc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587614943 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587614949 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587614953 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587614955 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587615122 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)s2)c1 ZINC000587615127 KK Annotated Anodyne CSc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587615146 KK Annotated Bother CSc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587615147 KK Annotated Bother CSc1ccc([C@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587615148 KK Annotated Bother CSc1ccc([C@@]2(c3ccccc3C(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000587615149 KK Annotated Bother O=C(O)CC1(C[C@@]2(c3ccc(Cl)s3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 ZINC000587615154 KK Annotated Anodyne O=C(O)CC1(C[C@@]2(c3ccc(Cl)s3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 ZINC000587615155 KK Annotated Anodyne O=C(O)CC1(C[C@]2(c3ccc(Cl)s3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCCC1 ZINC000587615156 KK Annotated Anodyne O=C(O)CC1(C[C@]2(c3ccc(Cl)s3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCCC1 ZINC000587615157 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000587615178 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000587615179 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000587615180 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000587615181 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccc(Br)cc1 ZINC000587615208 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Sc1ccc(Br)cc1 ZINC000587615209 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccc(Br)cc1 ZINC000587615271 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Sc1ccc(Br)cc1 ZINC000587615273 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587615284 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)s2)c1 ZINC000587615285 KK Annotated Anodyne CN1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Cl)cc2S1(=O)=O ZINC000587615298 KK Annotated Anodyne CN1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(Cl)cc2S1(=O)=O ZINC000587615309 KK Annotated Anodyne CN1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Cl)cc2S1(=O)=O ZINC000587615315 KK Annotated Anodyne CN1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(Cl)cc2S1(=O)=O ZINC000587615318 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615324 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615326 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615328 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615330 KK Annotated Anodyne Cn1nc(CSc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587615431 KK Annotated Anodyne Cn1nc(CSc2ccc(Cl)cc2)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587615432 KK Annotated Anodyne Cn1nc(CSc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl ZINC000587615433 KK Annotated Anodyne Cn1nc(CSc2ccc(Cl)cc2)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl ZINC000587615434 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615443 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2OCc2ccccc2)cs1 ZINC000587615447 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615448 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2OCc2ccccc2)cs1 ZINC000587615449 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615450 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2OCc2ccccc2)cs1 ZINC000587615451 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615452 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2OCc2ccccc2)cs1 ZINC000587615453 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 ZINC000587615465 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 ZINC000587615467 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 ZINC000587615469 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1SCc1ccc(Cl)cc1 ZINC000587615470 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587615568 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587615569 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587615570 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000587615571 KK Annotated Bother Cc1coc2c1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587615666 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587615667 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587615668 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587615673 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C=CC(C)(C)O2 ZINC000587615777 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C=CC(C)(C)O2 ZINC000587615778 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C=CC(C)(C)O2 ZINC000587615779 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C=CC(C)(C)O2 ZINC000587615780 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1C ZINC000587615801 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1C ZINC000587615806 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)nn1C ZINC000587615808 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)nn1C ZINC000587615809 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615815 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615817 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587615818 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587615819 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615852 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615856 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587615858 KK Annotated Anodyne O=C(O)c1c(Br)csc1[C@]1(c2ccncc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587615860 KK Annotated Anodyne COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccc(C)cc2)c(Br)c1 ZINC000587615957 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)s2)nc2ccccn12 ZINC000587615963 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)s2)nc2ccccn12 ZINC000587615965 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)s2)nc2ccccn12 ZINC000587615967 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)s2)nc2ccccn12 ZINC000587615969 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587615996 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 ZINC000587615998 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587616000 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 ZINC000587616002 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccccc3Br)sc12 ZINC000587616013 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccccc3Br)sc12 ZINC000587616017 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccccc3Br)sc12 ZINC000587616020 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccccc3Br)sc12 ZINC000587616022 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C1 ZINC000587616074 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C1 ZINC000587616079 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C1 ZINC000587616080 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C1 ZINC000587616081 KK Annotated Anodyne CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616082 KK Annotated Reactive CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616083 KK Annotated Reactive CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616084 KK Annotated Reactive CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616085 KK Annotated Reactive CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587616092 KK Annotated Bother CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616097 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616098 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616099 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616100 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1OC ZINC000587616119 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1OC ZINC000587616120 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1OC ZINC000587616121 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1OC ZINC000587616122 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587616131 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587616132 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587616133 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587616134 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616141 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616142 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616143 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616144 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616145 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616146 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616147 KK Annotated Anodyne C[C@]1(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616148 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616234 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616235 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616236 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587616237 KK Annotated Anodyne O=Cc1ccc(-c2ccc(C3=S=C([C@@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C=C3)s2)s1 ZINC000587616257 KK Annotated Clean O=Cc1ccc(-c2ccc(C3=S=C([C@H]4Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)C=C3)s2)s1 ZINC000587616258 KK Annotated Clean O=Cc1ccc(-c2ccc(C3=S=C([C@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C=C3)s2)s1 ZINC000587616259 KK Annotated Clean O=Cc1ccc(-c2ccc(C3=S=C([C@@H]4Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)C=C3)s2)s1 ZINC000587616260 KK Annotated Clean Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616273 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616274 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616275 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616276 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Br)cc3[N+](=O)[O-])c2c1 ZINC000587616307 KK Annotated Bother CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616334 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616335 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587616336 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587616337 KK Annotated Mild O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccc(Br)cc3)sc12 ZINC000587616400 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccc(Br)cc3)sc12 ZINC000587616401 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1nc(-c3ccc(Br)cc3)sc12 ZINC000587616402 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1nc(-c3ccc(Br)cc3)sc12 ZINC000587616496 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(C)c2c1 ZINC000587616512 KK Annotated Bother Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587616554 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587616555 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587616556 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Cl)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587616557 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587616574 KK Annotated Bother COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616575 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616576 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616577 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616578 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616645 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616646 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 ZINC000587616647 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 ZINC000587616648 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 ZINC000587616706 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Cl)cc3Br)c2c1 ZINC000587616752 KK Annotated Bother CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC ZINC000587616757 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC ZINC000587616758 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC ZINC000587616759 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC ZINC000587616760 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3N)c(CCl)c2c1 ZINC000587616793 KK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587616798 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587616799 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587616800 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 ZINC000587616801 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)ccc1O ZINC000587616805 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)ccc1O ZINC000587616806 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)ccc1O ZINC000587616807 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)ccc1O ZINC000587616808 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587616813 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587616814 KK Annotated Anodyne Cc1coc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587616815 KK Annotated Anodyne Cc1coc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587616816 KK Annotated Anodyne CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccccc1Br ZINC000587616946 KK Annotated Bother Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616951 KK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616952 KK Annotated Reactive Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587616953 KK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587616954 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587616965 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587616966 KK Annotated Reactive Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587616967 KK Annotated Reactive Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587616968 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sccn12 ZINC000587616985 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sccn12 ZINC000587616986 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sccn12 ZINC000587616987 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sccn12 ZINC000587616988 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(C#N)c2c1 ZINC000587616993 KK Annotated Mild CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617093 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617094 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@]1(Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617095 KK Annotated Anodyne CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@H]1C[C@]1(Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617096 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CC#N)c2c1 ZINC000587617103 KK Annotated Mild CCOC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617104 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C\Cl)c2c1 ZINC000587617105 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4ccccc4N/C3=C/Cl)c2c1 ZINC000587617106 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C[C@](F)(Cl)C(F)(F)Br)c2c1 ZINC000587617107 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C[C@@](F)(Cl)C(F)(F)Br)c2c1 ZINC000587617109 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(Cl)cccc3Cl)c(C)c2c1 ZINC000587617110 KK Annotated Bother CCc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617115 KK Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccc(Cl)cc1Cl ZINC000587617119 KK Annotated Bother C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617126 KK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617129 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(-c3nc4ccccc4[nH]3)c2c1 ZINC000587617130 KK Annotated Bother C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587617131 KK Annotated Anodyne C[C@]1(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587617132 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)c(C)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617133 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Br)cc3)c2c1 ZINC000587617136 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(-c3cccnc3)c2c1 ZINC000587617137 KK Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cc(Cl)ccc1Cl ZINC000587617143 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)Cl)c(-c3ccccc3)c2c1 ZINC000587617148 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3ccccc3Cl)c2c1 ZINC000587617154 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617172 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(C34CC5CC(CC(C5)C3)C4)c2c1 ZINC000587617175 KK Annotated Reactive COc1cc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(OC)cc1Cl ZINC000587617183 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c([C@@H](C)CC(=O)O)c2c1 ZINC000587617186 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c([C@H](C)CC(=O)O)c2c1 ZINC000587617189 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCc3ccc(Br)cc3)c(C)c2c1 ZINC000587617192 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3c(C)cccc3Cl)c2c1 ZINC000587617195 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)nc3)c(-c3cccc(C#N)c3)c2c1 ZINC000587617199 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c(C(=O)c3cccc(Br)c3)c2c1 ZINC000587617210 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(Br)cc3)c2c1 ZINC000587617220 KK Annotated Bother CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617224 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C)c2c1 ZINC000587617234 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(Cl)ccc3Cl)c2c1 ZINC000587617236 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1=C(c2ccc(Br)cc2)N2CCN=C2S1 ZINC000587617238 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1=C(c2ccc(Br)cc2)N2CCN=C2S1 ZINC000587617240 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1=C(c2ccc(Br)cc2)N2CCN=C2S1 ZINC000587617241 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1=C(c2ccc(Br)cc2)N2CCN=C2S1 ZINC000587617244 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)c(C)c3)c(C)c2c1 ZINC000587617253 KK Annotated Bother CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587617254 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CCOc3ccc(Cl)c(C)c3)c2c1 ZINC000587617256 KK Annotated Bother CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587617259 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587617260 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587617261 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1Sc1nc2ccccc2s1 ZINC000587617267 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1Sc1nc2ccccc2s1 ZINC000587617270 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1Sc1nc2ccccc2s1 ZINC000587617271 KK Annotated Anodyne CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Cl)cc1Cl ZINC000587617273 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1Sc1nc2ccccc2s1 ZINC000587617274 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617279 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)Br)c(-c3ccccc3)c2c1 ZINC000587617289 KK Annotated Bother CCCCCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccccc2Cl)c2ccccc21 ZINC000587617294 KK Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1Cc1ccc(Br)cc1 ZINC000587617299 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587617301 KK Annotated Bother CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617341 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(Oc3ccccc3C(N)=O)c2c1 ZINC000587617346 KK Annotated Bother COc1cccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)Cl)c1 ZINC000587617360 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(C#N)c2c1 ZINC000587617363 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)Br)c(Cc3ccccc3)c2c1 ZINC000587617367 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccc(C)c3)c2c1 ZINC000587617378 KK Annotated Bother CCc1ccc(O)c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587617379 KK Annotated Bother COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587617381 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)nc4ccc(Br)cc4c3Cl)c2c1 ZINC000587617382 KK Annotated Bother COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587617383 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)cc(Cl)c3O)c(C)c2c1 ZINC000587617384 KK Annotated Bother COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587617385 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(Cc3cccc(Br)c3)c2c1 ZINC000587617386 KK Annotated Bother COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1 ZINC000587617387 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc4c(c3)CCC4)c2c1 ZINC000587617389 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCc3ccc(Br)cc3)c2c1 ZINC000587617393 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(C)C)c(-c3ccc(Cl)cc3Cl)c2c1 ZINC000587617399 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587617407 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617417 KK Annotated Bother CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617426 KK Annotated Bother CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617436 KK Annotated Bother CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617439 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(OC(C)=O)c2c1 ZINC000587617445 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3)c2c1 ZINC000587617447 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c([C@H](C(=O)O)c3cccc(Cl)c3)c2c1 ZINC000587617450 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c([C@@H](C(=O)O)c3cccc(Cl)c3)c2c1 ZINC000587617452 KK Annotated Bother COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587617509 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587617511 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587617513 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587617514 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617522 KK Annotated Bother N#CN=c1sc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1-c1cccc(Br)c1 ZINC000587617535 KK Annotated Anodyne N#CN=c1sc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nn1-c1cccc(Br)c1 ZINC000587617537 KK Annotated Anodyne N#CN=c1sc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1-c1cccc(Br)c1 ZINC000587617538 KK Annotated Anodyne N#CN=c1sc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nn1-c1cccc(Br)c1 ZINC000587617539 KK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 ZINC000587617576 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2n1 ZINC000587617577 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)sc2n1 ZINC000587617578 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 ZINC000587617579 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c(C)c2c1 ZINC000587617604 KK Annotated Bother CCc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)cc1 ZINC000587617605 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 ZINC000587617606 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CNc3ccc(C)cc3)c2c1 ZINC000587617609 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)c(-c3ccccc3)c2c1 ZINC000587617612 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c(C(C)C)c2c1 ZINC000587617616 KK Annotated Bother COc1ccc(-c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1Cl ZINC000587617618 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)C(F)(F)F)c2c1 ZINC000587617619 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617620 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(C)cc3Cl)c2c1 ZINC000587617621 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Cl)c(Cl)c3)c2c1 ZINC000587617622 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C#N)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617623 KK Annotated Mild CCOC(=O)c1c(-c2c(Cl)cccc2[N+](=O)[O-])[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617624 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@H](C(=O)O)c3ccc(C)cc3)c2c1 ZINC000587617627 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C(=O)O)c3ccc(C)cc3)c2c1 ZINC000587617628 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C)C(=O)O)c2c1 ZINC000587617629 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@H](C)C(=O)O)c2c1 ZINC000587617630 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617631 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617633 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3C)c2c1 ZINC000587617634 KK Annotated Bother COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617635 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(NC(=O)CCl)c2c1 ZINC000587617636 KK Annotated Reactive COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617647 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617648 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587617649 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587617651 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C#N)cc3)c2c1 ZINC000587617652 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4cc(OC)c(OC)cc4N/C3=C/Cl)c2c1 ZINC000587617654 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(N3C(=O)c4cc(OC)c(OC)cc4N/C3=C\Cl)c2c1 ZINC000587617661 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)Nc3c(C)cc(C)cc3Cl)c2c1 ZINC000587617663 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(Oc3ccc([N+](=O)[O-])cc3Cl)c2c1 ZINC000587617678 KK Annotated Bother CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617679 KK Annotated Anodyne CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617680 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c(C(=O)O)c3)c(-c3ccc(Cl)cc3)c2c1 ZINC000587617681 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C(=O)c3ccccc3)c2c1 ZINC000587617682 KK Annotated Bother CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617683 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(Cc3ccc(Cl)cc3)c2c1 ZINC000587617684 KK Annotated Bother CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000587617685 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4cccc(Cl)c34)c(C#N)c2c1 ZINC000587617686 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Cl)cc3[N+](=O)[O-])c2c1 ZINC000587617691 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617692 KK Annotated Bother COC(=O)c1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccc(Cl)cc2)c[nH]1 ZINC000587617694 KK Annotated Bother COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617704 KK Annotated Bother CCCCc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617706 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587617708 KK Annotated Bother COc1ccc2nc(C)c(Cc3c(C)[nH]c4c([N+](=O)[O-])cc(S(=O)(=O)Nc5ccccc5OC)cc34)c(Cl)c2c1 ZINC000587617715 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-n3c(Cl)nc4ccccc43)c2c1 ZINC000587617726 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(-c3nc4ccccc4[nH]3)c2c1 ZINC000587617729 KK Annotated Bother CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617731 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3O)c(C(=O)c3cccc(C)c3)c2c1 ZINC000587617736 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3)c(CCCl)c2c1 ZINC000587617742 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C#N)c2c1 ZINC000587617749 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C)c3)c(C(=O)c3cc(Cl)ccc3O)c2c1 ZINC000587617751 KK Annotated Bother COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587617752 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587617756 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 ZINC000587617759 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 ZINC000587617762 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000587617768 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587617779 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(Cc3ccccc3Cl)c2c1 ZINC000587617808 KK Annotated Bother Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587617809 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587617815 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(NC(=O)CCC(=O)O)c2c1 ZINC000587617816 KK Annotated Bother Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587617818 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccccc1Cl ZINC000587617821 KK Annotated Bother Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587617822 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)/C=C\c3ccccc3)c2c1 ZINC000587617828 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)/C=C/c3ccccc3)c2c1 ZINC000587617831 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(O)c2c1 ZINC000587617832 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)CCCl)c2c1 ZINC000587617834 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Oc3c(Cl)cc(Cl)cc3Cl)c2c1 ZINC000587617837 KK Annotated Bother CCOC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617840 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C(C)C)cc3)c2c1 ZINC000587617841 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CC(=O)CCC(=O)O)c2c1 ZINC000587617842 KK Annotated Bother CCOC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587617843 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)F)c(OC)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587617844 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)c(C)c2c1 ZINC000587617846 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CCl)c2c1 ZINC000587617850 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccc(Br)cc34)c(C#N)c2c1 ZINC000587617852 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)cc([N+](=O)[O-])c3O)c(C)c2c1 ZINC000587617872 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3ccccc3Br)c2c1 ZINC000587617873 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Oc3ccc4cc(Br)ccc4c3)c2c1 ZINC000587617989 KK Annotated Bother Cc1coc2c1C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c-2ccc2c1CCCC2(C)C ZINC000587617992 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1c-2ccc2c1CCCC2(C)C ZINC000587617994 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3Cl)c(CC(=O)O)c2c1 ZINC000587617996 KK Annotated Bother Cc1coc2c1C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c-2ccc2c1CCCC2(C)C ZINC000587617997 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1c-2ccc2c1CCCC2(C)C ZINC000587617999 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1O ZINC000587618000 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)ccc1O ZINC000587618001 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618002 KK Annotated Bother COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1O ZINC000587618003 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c2c1 ZINC000587618004 KK Annotated Reactive COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)ccc1O ZINC000587618005 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3cc(C)ccc3O)c2c1 ZINC000587618007 KK Annotated Bother CCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618008 KK Annotated Bother COC(=O)c1c(-c2c(-c3ccccc3Cl)noc2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618009 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618011 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(Cl)cccc3Cl)c(C#N)c2c1 ZINC000587618014 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)Cl)c2c1 ZINC000587618016 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C(C)=O)c2c1 ZINC000587618017 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(C(=O)C(F)(F)F)c2c1 ZINC000587618018 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3c(Cl)cccc3Cl)c2c1 ZINC000587618019 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618021 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c([C@H](C(=O)O)c3ccc(Cl)cc3)c2c1 ZINC000587618022 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c([C@@H](C(=O)O)c3ccc(Cl)cc3)c2c1 ZINC000587618023 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Cl)cc3Cl)c2c1 ZINC000587618025 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3Cl)c2c1 ZINC000587618028 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(C(=O)c3cccc(Cl)c3)c2c1 ZINC000587618029 KK Annotated Bother CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618032 KK Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Cl)cc1Cl ZINC000587618033 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(Oc3c(C(=O)c4ccc(Cl)cc4Cl)c(C)nn3C)c2c1 ZINC000587618041 KK Annotated Bother COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc2ccccc2s1 ZINC000587618045 KK Annotated Anodyne CCC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618046 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(Cn3nc(C)c(Cl)c3C)c2c1 ZINC000587618047 KK Annotated Bother COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc2ccccc2s1 ZINC000587618048 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1CSc1nc2ccccc2s1 ZINC000587618049 KK Annotated Anodyne COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1CSc1nc2ccccc2s1 ZINC000587618050 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCCl)c2c1 ZINC000587618053 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587618055 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587618061 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](c3ccc(Cl)cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587618065 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587618067 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](c3ccc(Cl)cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587618068 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618073 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(=O)c3cc(Cl)cc(Cl)c3N)c2c1 ZINC000587618076 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)nc4ccccc4c3Cl)c2c1 ZINC000587618082 KK Annotated Bother CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618088 KK Annotated Bother CCCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618091 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(CC3CCCC3)c2c1 ZINC000587618093 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C3CC3)c2c1 ZINC000587618095 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 ZINC000587618099 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccc(Br)cc3)c2c1 ZINC000587618107 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)c(C)c3)c2c1 ZINC000587618115 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(-c3ccccc3Br)c2c1 ZINC000587618119 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618121 KK Annotated Bother CCOC(=O)CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587618123 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(-c3ccccc3)c2c1 ZINC000587618127 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccc3Br)c2c1 ZINC000587618128 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sc3ccccc3n12 ZINC000587618129 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587618130 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sc3ccccc3n12 ZINC000587618131 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587618132 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sc3ccccc3n12 ZINC000587618133 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)c(Cl)c2)nc2sc3ccccc3n12 ZINC000587618134 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587618135 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587618143 KK Annotated Bother COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587618145 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3cccc(Cl)c3)c(C(C)C)c2c1 ZINC000587618151 KK Annotated Bother O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@]3(CS[C@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587618152 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(Cc3ccc(Cl)cc3)c2c1 ZINC000587618153 KK Annotated Bother O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@]3(CS[C@H]12)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 ZINC000587618155 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@@]3(CS[C@H]12)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587618157 KK Annotated Anodyne O=C(Cc1ccccc1)N[C@@H]1C(=O)N2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)[C@]3(CS[C@H]12)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 ZINC000587618158 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc4cc(Br)ccc4o3)c(C#N)c2c1 ZINC000587618173 KK Annotated Mild CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587618176 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)Br)c2c1 ZINC000587618180 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cc(Cl)ccc3Cl)c2c1 ZINC000587618182 KK Annotated Bother CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c1 ZINC000587618184 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CC(C)C)c2c1 ZINC000587618188 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC)c(C(=O)C(F)(F)F)c2c1 ZINC000587618189 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(CCl)c2c1 ZINC000587618191 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(-c3cccnc3)c2c1 ZINC000587618193 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 ZINC000587618194 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c(C#N)c2c1 ZINC000587618195 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccc(C#N)cc34)c(CCCl)c2c1 ZINC000587618196 KK Annotated Reactive COc1cccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)c1 ZINC000587618197 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3Cl)c(C(=O)c3ccc(Cl)cc3Cl)c2c1 ZINC000587618202 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 ZINC000587618317 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 ZINC000587618318 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 ZINC000587618319 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])c1 ZINC000587618320 KK Annotated Bother CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618325 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618326 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618327 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618328 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(Cl)cc3Cl)c(C)c2c1 ZINC000587618330 KK Annotated Bother COC(=O)C(C)(C)c1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CCCl)cc1 ZINC000587618332 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(=O)c3ccc(Br)cc3)c(C)c2c1 ZINC000587618336 KK Annotated Bother CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618360 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])c2c1 ZINC000587618361 KK Annotated Bother CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618362 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618363 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618364 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3O)c(C)c2c1 ZINC000587618365 KK Annotated Bother Nc1sc2c(c1[C@]1(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587618366 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(Oc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000587618367 KK Annotated Bother CCOC(=O)c1c(-c2ccc(OCC)c(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618368 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(Br)c3)c2c1 ZINC000587618369 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(Oc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)c2c1 ZINC000587618371 KK Annotated Bother Nc1sc2c(c1[C@]1(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587618372 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587618373 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Cl)c(Cl)c3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587618375 KK Annotated Anodyne CCOc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)cc1 ZINC000587618380 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618390 KK Annotated Bother C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587618393 KK Annotated Reactive CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618394 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(-c3ccccn3)c2c1 ZINC000587618395 KK Annotated Bother COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618396 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3)c2c1 ZINC000587618397 KK Annotated Bother C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587618400 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587618401 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587618402 KK Annotated Reactive O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2sccn12 ZINC000587618403 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Br)cc2)nc2sccn12 ZINC000587618404 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2sccn12 ZINC000587618405 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Br)cc2)nc2sccn12 ZINC000587618406 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618408 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)C)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618409 KK Annotated Bother COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587618410 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618411 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587618412 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(Cl)c(Cl)c3)c2c1 ZINC000587618418 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587618419 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(C(=O)c3ccccc3Cl)c2c1 ZINC000587618421 KK Annotated Bother COC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618424 KK Annotated Bother C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618425 KK Annotated Anodyne C=CCc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618426 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(Oc3ccc(C=O)cc3)c2c1 ZINC000587618428 KK Annotated Bother C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618429 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618430 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(Cl)cnc3Cl)c2c1 ZINC000587618431 KK Annotated Bother C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1S2 ZINC000587618432 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@H](C(=O)O)c3ccc(C(C)C)cc3)c2c1 ZINC000587618433 KK Annotated Bother COC(=O)c1c(-c2ccccc2Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618434 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C(=O)O)c3ccc(C(C)C)cc3)c2c1 ZINC000587618437 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c[nH]c4ccc(Br)cc34)c2c1 ZINC000587618439 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)c3ccccc3O)c2c1 ZINC000587618440 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)c(C)c2c1 ZINC000587618441 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)oc3C)c(C(=O)C(F)(F)F)c2c1 ZINC000587618446 KK Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Br)cc1 ZINC000587618447 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(C(=O)C(F)(F)F)c2c1 ZINC000587618449 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccc(OC(F)F)c3)c2c1 ZINC000587618450 KK Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cc(Cl)ccc1Cl ZINC000587618452 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c([C@@H](C)C(=O)O)c2c1 ZINC000587618453 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Br)c3)c([C@H](C)C(=O)O)c2c1 ZINC000587618454 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(Cl)cc3)c(CCc3ccccc3)c2c1 ZINC000587618456 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618457 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587618458 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587618464 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(C)(C)C)c2c1 ZINC000587618465 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3Cl)c2c1 ZINC000587618471 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587618479 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618480 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3O)c(C)c2c1 ZINC000587618481 KK Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Br)cc1 ZINC000587618482 KK Annotated Bother CCOC(=O)CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1CC(=O)c1ccc(Br)cc1 ZINC000587618485 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(Cc4ccccc4Cl)c3C)c(C#N)c2c1 ZINC000587618486 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CN(C)C)c2c1 ZINC000587618487 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3O)c(C(C)=O)c2c1 ZINC000587618489 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Cl)c(CC3OCCCO3)c2c1 ZINC000587618490 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(-c3nc4ccccc4[nH]3)c2c1 ZINC000587618491 KK Annotated Bother CCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618494 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c(C(N)=O)c3)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618495 KK Annotated Bother COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618496 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(Cc3ccc(Br)cc3)c2c1 ZINC000587618499 KK Annotated Bother COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)ccc32)cc1)C(=O)OC ZINC000587618595 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)ccc32)cc1)C(=O)OC ZINC000587618599 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@H]4C(=O)c4ccco4)ccc32)cc1)C(=O)OC ZINC000587618601 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)Oc5ccccc5C(=O)[C@@H]4C(=O)c4ccco4)ccc32)cc1)C(=O)OC ZINC000587618602 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1OC ZINC000587618617 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3Br)c2c1 ZINC000587618618 KK Annotated Reactive COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2=O)cc1OC ZINC000587618622 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1OC ZINC000587618624 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2=O)cc1OC ZINC000587618626 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587618648 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl ZINC000587618649 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587618650 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl ZINC000587618651 KK Annotated Anodyne CCCCCc1c(CBr)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618679 KK Annotated Reactive CCc1c(-c2ccc(Cl)c(Br)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618680 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(Cc3ccccc3)c2c1 ZINC000587618710 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618734 KK Annotated Bother CCc1c(-c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618740 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)nc4ccc(C)cc4c3Cl)c2c1 ZINC000587618742 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4ccc(Br)cc4)c3C)c(C#N)c2c1 ZINC000587618746 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@H](C(=O)O)c3cccc(Cl)c3)c2c1 ZINC000587618757 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C(=O)O)c3cccc(Cl)c3)c2c1 ZINC000587618759 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(Oc3ccc(C(C)C)cc3)c2c1 ZINC000587618760 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCc3ccccc3)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618763 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4cc(Cl)ccc34)c(C#N)c2c1 ZINC000587618764 KK Annotated Mild CCCc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618766 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618772 KK Annotated Bother CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618773 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 ZINC000587618775 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3OC)c(C)c2c1 ZINC000587618777 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccc(Br)c3)c2c1 ZINC000587618779 KK Annotated Bother CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587618784 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587618787 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCl)c2c1 ZINC000587618789 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3Cl)c(C#N)c2c1 ZINC000587618790 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(OC(F)F)c(OC)c3)c2c1 ZINC000587618791 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)Cl)c(Cc3ccccc3)c2c1 ZINC000587618792 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4nc(O)oc4c3)c(CN3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)c2c1 ZINC000587618798 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587618802 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3O)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587618810 KK Annotated Bother CCCc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618811 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(C(=O)C(F)(F)F)c2c1 ZINC000587618812 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)c2c1 ZINC000587618814 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3cccc(Br)c3)c2c1 ZINC000587618815 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)[C@H](C)Cl)c2c1 ZINC000587618827 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)[C@@H](C)Cl)c2c1 ZINC000587618828 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)ccc3O)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587618829 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(C)(C)C(=O)O)c2c1 ZINC000587618830 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CCl)c2c1 ZINC000587618837 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3)c(CC3OCCCO3)c2c1 ZINC000587618838 KK Annotated Bother COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618839 KK Annotated Bother COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618840 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1 ZINC000587618842 KK Annotated Bother CCOC(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618843 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)cc(Cl)c3)c(C#N)c2c1 ZINC000587618844 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CCCl)c2c1 ZINC000587618846 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3OC)c(C(C)C)c2c1 ZINC000587618850 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587618851 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(-c3ccccn3)c2c1 ZINC000587618852 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)nc4c(Cl)cccc4c3Cl)c2c1 ZINC000587618855 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)c2c1 ZINC000587618860 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C)c2c1 ZINC000587618863 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618865 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3Cl)c(C(=O)C(F)(F)F)c2c1 ZINC000587618866 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587618871 KK Annotated Bother CCOC(=O)c1c(Cc2ccccc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618873 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618875 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618878 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618879 KK Annotated Bother CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618880 KK Annotated Bother COc1ccc(Cl)cc1NC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618881 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C(=O)O)c(-c3ccc(Cl)cc3)c2c1 ZINC000587618882 KK Annotated Bother CCCCc1c(-c2c(O)cc(OC)c(Cl)c2O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587618885 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(Br)cc3)c2c1 ZINC000587618895 KK Annotated Bother COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618936 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618938 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587618940 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587618941 KK Annotated Anodyne COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccccc2F)c(Br)c1 ZINC000587618974 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccc(Br)cc3)c2c1 ZINC000587618980 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C34CC5CC(CC(C5)C3)C4)c(C(=O)C(F)F)c2c1 ZINC000587618991 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3O)c(-c3ccccc3F)c2c1 ZINC000587618994 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(SC)c2c1 ZINC000587618998 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3Cl)c(C)c2c1 ZINC000587619004 KK Annotated Bother CCOC(=O)c1c(-c2cc(F)c(F)cc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619021 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)nc4c(C)cccc4c3Cl)c2c1 ZINC000587619023 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(O)c2c1 ZINC000587619026 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)nc4ccc(C(=O)O)cc4c3Cl)c2c1 ZINC000587619028 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-n3nc(C(F)(F)F)cc3C3CC3)c2c1 ZINC000587619031 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(Nc3ccc(Br)cc3)c2c1 ZINC000587619037 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CP(=O)(OC)OC)c(Oc3cccc(C(F)(F)F)c3)c2c1 ZINC000587619043 KK Annotated Bother CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619045 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587619051 KK Annotated Bother COCCc1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619054 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(C)s3)c2c1 ZINC000587619064 KK Annotated Bother CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619065 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3ccco3)c2c1 ZINC000587619066 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccc(Cl)c3)c2c1 ZINC000587619073 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)oc3C(F)(F)F)c(C#N)c2c1 ZINC000587619078 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(NC(=O)CCl)c2c1 ZINC000587619087 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4ccccc4F)c3C)c(C#N)c2c1 ZINC000587619088 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619092 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C#N)c2c1 ZINC000587619097 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3O)c(C)c2c1 ZINC000587619098 KK Annotated Bother CCCc1c(-c2ccc(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619103 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587619106 KK Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000587619111 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(Nc3ccc(Cl)cc3)c2c1 ZINC000587619113 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)cc(C(F)(F)F)c3)c(C)c2c1 ZINC000587619126 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(C)c2c1 ZINC000587619128 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccc(F)c3)c2c1 ZINC000587619152 KK Annotated Bother CN(C)/C=C\[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619156 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587619157 KK Annotated Bother CN(C)/C=C\[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619160 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619161 KK Annotated Anodyne CN(C)/C=C/[C@]1(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619162 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc4ccccc4n3)c2c1 ZINC000587619169 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587619179 KK Annotated Mild CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587619211 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3OC(F)(F)F)c(C)c2c1 ZINC000587619214 KK Annotated Bother CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cc(F)c(Cl)nc1Cl ZINC000587619215 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000587619218 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C(F)(F)F)c(C)c2c1 ZINC000587619221 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccccc3C(F)(F)F)c2c1 ZINC000587619223 KK Annotated Bother CCc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)(F)F)s1 ZINC000587619224 KK Annotated Bother CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619225 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(OCc4ccccc4)c3F)c2c1 ZINC000587619227 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2c1 ZINC000587619229 KK Annotated Bother CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619230 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3C(F)(F)F)c(C)c2c1 ZINC000587619232 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C(=O)c3cc(C)ccc3O)c2c1 ZINC000587619233 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(OC)c(OC)c3)c2c1 ZINC000587619236 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587619237 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccco3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587619240 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)s3)c(C(=O)C(F)F)c2c1 ZINC000587619247 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(F)cc3)c2c1 ZINC000587619248 KK Annotated Bother CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619249 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3O)c(C(=O)c3cccc(F)c3)c2c1 ZINC000587619252 KK Annotated Bother CCOC(=O)c1c(-c2ccc(Br)cc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619253 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)C(=O)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587619254 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C(C)=O)c2c1 ZINC000587619259 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(CCC3OCC(C)(C)CO3)c2c1 ZINC000587619260 KK Annotated Bother CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619261 KK Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000587619262 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(Cl)s3)c2c1 ZINC000587619263 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3cccc(C(F)(F)F)c3)c2c1 ZINC000587619264 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccccc34)c(C(F)(F)F)c2c1 ZINC000587619265 KK Annotated Bother COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587619272 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587619273 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587619274 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587619275 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3C)c(CC(=O)O)c2c1 ZINC000587619290 KK Annotated Bother COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587619305 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3Br)c2c1 ZINC000587619316 KK Annotated Bother COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 ZINC000587619321 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587619322 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587619323 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 ZINC000587619324 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587619325 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCC2 ZINC000587619327 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCC2 ZINC000587619328 KK Annotated Anodyne CCc1c(-c2ccc(Br)c(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619329 KK Annotated Bother CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587619392 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587619397 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587619400 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1-2 ZINC000587619402 KK Annotated Mild C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587619422 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 ZINC000587619426 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587619428 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 ZINC000587619430 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587619431 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587619435 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587619437 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2OC)o1 ZINC000587619439 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587619449 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 ZINC000587619450 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587619451 KK Annotated Anodyne O=C(O)CCC(=O)Nc1nnc(SC[C@]2(c3ccc(Cl)cc3Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 ZINC000587619452 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(-c3ccc(F)c(F)c3)c2c1 ZINC000587619469 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(OC)c2c1 ZINC000587619471 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(C)cc3)c2c1 ZINC000587619473 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 ZINC000587619474 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3F)c(C)c2c1 ZINC000587619476 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(CC3CCCC3)c2c1 ZINC000587619477 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(C(=O)c3ccc(C)cc3O)c2c1 ZINC000587619478 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)o3)c(C(=O)C(F)(F)F)c2c1 ZINC000587619479 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(Nc3cccc(C(F)(F)F)c3)c2c1 ZINC000587619483 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)Nc3ccc(Br)cc3)c2c1 ZINC000587619485 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(F)cc3Br)c2c1 ZINC000587619486 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCO4)c(C(=O)C(F)(F)F)c2c1 ZINC000587619489 KK Annotated Bother CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619493 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C#N)c2c1 ZINC000587619495 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(CCCCc3nc4ccccc4[nH]3)c2c1 ZINC000587619496 KK Annotated Bother CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587619498 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C(F)(F)F)c2c1 ZINC000587619501 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)s3)c(C(=O)C(F)(F)F)c2c1 ZINC000587619503 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)C(F)F)c2c1 ZINC000587619504 KK Annotated Bother CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619505 KK Annotated Bother COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619506 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587619508 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)C34CC5CC(CC(C5)C3)C4)c2c1 ZINC000587619511 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccs3)c(-c3nc4ccccc4n3C(F)F)c2c1 ZINC000587619514 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3F)c(-c3ccccc3)c2c1 ZINC000587619515 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)c2c1 ZINC000587619516 KK Annotated Bother CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619517 KK Annotated Bother CCOC(=O)c1c(-c2ccc(F)c(F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619518 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(OC(F)(F)F)cc3)c2c1 ZINC000587619519 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccccc3OC)c2c1 ZINC000587619521 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C(F)(F)F)ccc3F)c(C)c2c1 ZINC000587619522 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(C(=O)C(F)F)c2c1 ZINC000587619523 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)F)cc3)c(Sc3ccccc3C(=O)O)c2c1 ZINC000587619524 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc4ccccc34)c(C(=O)C(F)(F)F)c2c1 ZINC000587619525 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(C(=O)C(F)F)c2c1 ZINC000587619528 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4ccc(OC(F)F)cc4)c3C)c(C#N)c2c1 ZINC000587619529 KK Annotated Mild COCCCc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619531 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(OC(F)F)cc3)c2c1 ZINC000587619532 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2cccc(F)c2)c(Br)c1 ZINC000587619534 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3nc4ccccc4[nH]3)c2c1 ZINC000587619535 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(=O)C(F)F)c2c1 ZINC000587619541 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(OCc3ccccc3)c2c1 ZINC000587619542 KK Annotated Bother CCOC(=O)c1c(-c2cc(F)cc(Br)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619543 KK Annotated Bother CCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619544 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(C#N)c2c1 ZINC000587619568 KK Annotated Mild CCOC(=O)c1c(-c2cc(F)ccc2Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619570 KK Annotated Bother Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619577 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619581 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619584 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619586 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Br)c3)c(C)c2c1 ZINC000587619614 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccs3)c(C(=O)C(F)(F)F)c2c1 ZINC000587619637 KK Annotated Bother CCOC(=O)c1c(-c2cc(F)c(F)c(Cl)c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619638 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(OC(F)F)c3)c(C(=O)c3cccc(OC(F)F)c3)c2c1 ZINC000587619644 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(-c3ccccc3F)c2c1 ZINC000587619647 KK Annotated Bother Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619665 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619668 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619669 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619671 KK Annotated Anodyne Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 ZINC000587619706 KK Annotated Reactive Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 ZINC000587619726 KK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 ZINC000587619729 KK Annotated Reactive Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 ZINC000587619730 KK Annotated Reactive Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619737 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619741 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587619742 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587619743 KK Annotated Anodyne O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 ZINC000587619744 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 ZINC000587619745 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 ZINC000587619746 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 ZINC000587619747 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(Cc3ccccc3Br)c2c1 ZINC000587619752 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(Oc3ccccc3)c2c1 ZINC000587619757 KK Annotated Reactive CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587619800 KK Annotated Anodyne CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587619801 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587619802 KK Annotated Anodyne CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587619803 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587619832 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587619833 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587619834 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587619835 KK Annotated Clean O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000587619848 KK Annotated Anodyne COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(F)(F)F)cc1 ZINC000587619850 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000587619851 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(-c3ccc(C#N)cc3)c2c1 ZINC000587619856 KK Annotated Mild CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619862 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587619868 KK Annotated Bother COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619873 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3ccccc3F)c2c1 ZINC000587619874 KK Annotated Bother CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619875 KK Annotated Bother COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619876 KK Annotated Reactive COC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1cccc(C(F)(F)F)c1 ZINC000587619877 KK Annotated Bother COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 ZINC000587619879 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 ZINC000587619880 KK Annotated Reactive CCCc1c(-c2ccc(Br)c(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619881 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(Cl)c3)c(C#N)c2c1 ZINC000587619883 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(-c3ccccc3Br)c2c1 ZINC000587619884 KK Annotated Bother COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C#N)c1 ZINC000587619885 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C#N)c1 ZINC000587619886 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C#N)c1 ZINC000587619887 KK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C#N)c1 ZINC000587619889 KK Annotated Mild CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn12 ZINC000587619891 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn12 ZINC000587619892 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nn12 ZINC000587619893 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nn12 ZINC000587619894 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)c(-c3cc(F)c(F)cc3F)c2c1 ZINC000587619910 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(F)(F)F)c2c1 ZINC000587619912 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(C)=O)c2c1 ZINC000587619917 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619922 KK Annotated Bother CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619928 KK Annotated Bother CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619930 KK Annotated Bother CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619932 KK Annotated Bother O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2Cl)nc2sccn12 ZINC000587619933 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(F)c(C)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619934 KK Annotated Bother O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(-c2ccc(Cl)cc2Cl)nc2sccn12 ZINC000587619935 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587619936 KK Annotated Mild O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2Cl)nc2sccn12 ZINC000587619937 KK Annotated Anodyne O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(-c2ccc(Cl)cc2Cl)nc2sccn12 ZINC000587619938 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cc(F)ccc3Br)c2c1 ZINC000587619942 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(Cl)c3F)c(OC)c2c1 ZINC000587619953 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(Cc3ccccc3)c2c1 ZINC000587619958 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(Br)cc3)c2c1 ZINC000587619960 KK Annotated Bother CCOC(=O)C(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619977 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ccccc3Cl)c2c1 ZINC000587619978 KK Annotated Bother CCOC(=O)C(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587619985 KK Annotated Bother O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587619988 KK Annotated Reactive O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587619990 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC)c(C(=O)C(F)F)c2c1 ZINC000587619991 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2c1 ZINC000587619992 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)cc(Br)c3)c(C)c2c1 ZINC000587619993 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3cccc(C)n3)c2c1 ZINC000587619996 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(CF)c2c1 ZINC000587620000 KK Annotated Bother COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620001 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)C(F)(F)F)c2c1 ZINC000587620002 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(C(C)C)c2c1 ZINC000587620004 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3F)c(-c3ncc[nH]3)c2c1 ZINC000587620006 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)F)cc3)c(C#N)c2c1 ZINC000587620007 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3F)c(-c3ccccn3)c2c1 ZINC000587620009 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(Br)c3)c(C)c2c1 ZINC000587620012 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587620013 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3cc(F)c(F)cc3F)c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1 ZINC000587620016 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C)c2c1 ZINC000587620017 KK Annotated Mild CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620018 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(C)s3)c2c1 ZINC000587620019 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cccc(C(F)(F)F)c3)c2c1 ZINC000587620025 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)c(C)c3)c(C(=O)C(F)F)c2c1 ZINC000587620029 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc4ccccc34)c(C(=O)C(F)F)c2c1 ZINC000587620032 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3cc4ccccc4o3)c2c1 ZINC000587620033 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c(O)c2c1 ZINC000587620034 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(F)F)c2c1 ZINC000587620036 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(C(F)(F)F)cc3)c2c1 ZINC000587620037 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccccc3F)c(-c3ccccc3F)c2c1 ZINC000587620038 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(CC(F)(F)F)c3C)c(C#N)c2c1 ZINC000587620040 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3ccnc4ccccc34)c2c1 ZINC000587620042 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4ccccc4c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620043 KK Annotated Bother O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587620048 KK Annotated Reactive O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587620049 KK Annotated Reactive COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587620116 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587620117 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587620118 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587620119 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(-n3ccnc3)c2c1 ZINC000587620138 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c2c1 ZINC000587620139 KK Annotated Reactive CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccccc1Br ZINC000587620144 KK Annotated Bother CCOC(=O)Cc1c(-c2ccccc2Br)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620145 KK Annotated Bother COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620149 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3c([N+](=O)[O-])ccc(F)c3F)c2c1 ZINC000587620150 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3C(F)(F)F)c2c1 ZINC000587620151 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587620152 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)ccc3O)c(C(=O)c3cccc(F)c3)c2c1 ZINC000587620154 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)(C)C)c(Cc3ccc(Br)cc3F)c2c1 ZINC000587620155 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Br)c(F)c3)c2c1 ZINC000587620156 KK Annotated Bother CCCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620157 KK Annotated Bother CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)s1 ZINC000587620158 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(Cl)c(Cl)c3)c2c1 ZINC000587620160 KK Annotated Bother CCCc1c(-c2ccc(Br)cc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620162 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc4ccccc4o3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620163 KK Annotated Bother CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620164 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(C)c2c1 ZINC000587620168 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)c(C)c2c1 ZINC000587620170 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(O)c2c1 ZINC000587620171 KK Annotated Bother CCOC(=O)c1c(C2CCN(C(=O)OCc3ccccc3)CC2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620182 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(OC(F)(F)F)cc3[N+](=O)[O-])c2c1 ZINC000587620183 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 ZINC000587620185 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)c(F)c3)c(C)c2c1 ZINC000587620190 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587620192 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(-c3nc4ccccc4o3)c2c1 ZINC000587620196 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CSc3cc(C)ccc3C)c(-c3ccccc3F)c2c1 ZINC000587620199 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3F)c(CCl)c2c1 ZINC000587620200 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(=O)c3ccc(C(F)(F)F)cc3)c(C)c2c1 ZINC000587620204 KK Annotated Bother CCc1c(-c2cc(Br)ccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620205 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC(F)F)c(C#N)c2c1 ZINC000587620211 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)(F)F)cc3)c(C#N)c2c1 ZINC000587620224 KK Annotated Mild COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620227 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000587620229 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(C(F)(F)F)cc3)c2c1 ZINC000587620233 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(C)c(C)c3)c2c1 ZINC000587620236 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3F)c(C#N)c2c1 ZINC000587620237 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3ccncn3)c2c1 ZINC000587620242 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)F)c2c1 ZINC000587620244 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)c3cccs3)c2c1 ZINC000587620249 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3cnccn3)c2c1 ZINC000587620252 KK Annotated Bother CCc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)F)cc1 ZINC000587620257 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(C)C)c(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000587620261 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(F)cc3)c(CCCC3OCCO3)c2c1 ZINC000587620262 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccccc3)c2c1 ZINC000587620265 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OCC(F)F)cc3)c(C)c2c1 ZINC000587620272 KK Annotated Bother COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620276 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3O)c(CCCl)c2c1 ZINC000587620278 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587620281 KK Annotated Bother CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587620282 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(OC)c(OC)c(OC)c3)c(-c3nc4ccccc4n3C(F)F)c2c1 ZINC000587620284 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(OS(=O)(=O)C(F)(F)F)c2c1 ZINC000587620286 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccc(C)cc3)c(-c3cc(OC)c(O)c([N+](=O)[O-])c3)c2c1 ZINC000587620288 KK Annotated Bother COc1cccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C(=O)C(F)F)c1 ZINC000587620296 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587620304 KK Annotated Mild COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587620326 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587620327 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC ZINC000587620328 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC ZINC000587620329 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587620330 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccncc3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587620331 KK Annotated Bother COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587620335 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 ZINC000587620337 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 ZINC000587620338 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587620344 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(CCCC3OCCO3)c2c1 ZINC000587620347 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc([N+](=O)[O-])c3)c(-c3nc4ccccc4[nH]3)c2c1 ZINC000587620353 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCN3CCC(C)CC3)c2c1 ZINC000587620362 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CSc3ccccn3)c2c1 ZINC000587620368 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587620370 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2cccc(F)c2)cc1 ZINC000587620384 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCNC(=O)OC(C)(C)C)c2c1 ZINC000587620444 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(-c4ccccc4)cc3)c(C#N)c2c1 ZINC000587620459 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c2c1 ZINC000587620464 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(=O)c3ccc(F)cc3)c2c1 ZINC000587620487 KK Annotated Bother CCc1ccc(-n2c(C)cc(-c3[nH]c4c([N+](=O)[O-])cc(S(=O)(=O)Nc5ccccc5OC)cc4c3C#N)c2C)cc1 ZINC000587620494 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc4ccccc34)c(CN(C)C)c2c1 ZINC000587620497 KK Annotated Bother CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620499 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587620503 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)c2c1 ZINC000587620507 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587620510 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(I)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620512 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccs3)c(C(=O)C(F)F)c2c1 ZINC000587620513 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c([C@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587620514 KK Annotated Bother CCc1c(-c2cn(CC(=O)O)c3ccccc23)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620515 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccc(F)cc34)c(C(F)(F)F)c2c1 ZINC000587620516 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccs3)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587620522 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587620524 KK Annotated Mild CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587620529 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccn3)c(-c3ccccc3)c2c1 ZINC000587620531 KK Annotated Bother CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 ZINC000587620533 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587620535 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 ZINC000587620536 KK Annotated Reactive CCc1ccccc1NC(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620541 KK Annotated Bother C=CCn1c(C)cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)c1C ZINC000587620544 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)Nc3ccc(F)cc3C)c2c1 ZINC000587620550 KK Annotated Bother CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620555 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccc(F)cc2)c(Br)c1 ZINC000587620556 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587620558 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccccc2)c(Br)c1 ZINC000587620565 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)c(OC)c(F)c3)c(C)c2c1 ZINC000587620566 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC)c(NC(C)C)c2c1 ZINC000587620567 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3c(F)cccc3Cl)c2c1 ZINC000587620569 KK Annotated Reactive CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620572 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@@H](O)C[C@@]34C)c(O)c2c1 ZINC000587620575 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@H](O)C[C@]34C)c(O)c2c1 ZINC000587620578 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@H](O)C[C@@]34C)c(O)c2c1 ZINC000587620581 KK Annotated Mild COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccccc2C)c(Br)c1 ZINC000587620582 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]34C)c(O)c2c1 ZINC000587620584 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@@H](O)C[C@]34C)c(O)c2c1 ZINC000587620588 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(F)c3)c(-c3cccc(F)c3)c2c1 ZINC000587620594 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3F)c(C#N)c2c1 ZINC000587620595 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587620597 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(Sc3ncccc3C(=O)O)c2c1 ZINC000587620601 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)c(C(F)(F)F)c3)c(C#N)c2c1 ZINC000587620603 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4ccc(C)c(C)c4)c3C)c(C#N)c2c1 ZINC000587620609 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(C#N)c2c1 ZINC000587620614 KK Annotated Mild Nc1sc2c(c1[C@@]1(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587620619 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587620620 KK Annotated Anodyne Nc1sc2c(c1[C@]1(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 ZINC000587620621 KK Annotated Anodyne Nc1sc2c(c1[C@@]1(c3ccc4c(c3)OCO4)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 ZINC000587620622 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCC=O)c(-c3ccc(F)cc3)c2c1 ZINC000587620630 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4o3)c2c1 ZINC000587620634 KK Annotated Bother CCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000587620638 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(OC(F)F)c3)c(C#N)c2c1 ZINC000587620639 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1 ZINC000587620640 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)Nc3ccccc3)c2c1 ZINC000587620641 KK Annotated Bother CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620642 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2[C@@H](C)C#N)cc1 ZINC000587620643 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c(C=O)c3)c(N3CCC(C(F)(F)F)CC3)c2c1 ZINC000587620645 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587620646 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC(F)F)c(C)c2c1 ZINC000587620647 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@H](C(=O)O)c3cccc(F)c3)c2c1 ZINC000587620649 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c([C@@H](C(=O)O)c3cccc(F)c3)c2c1 ZINC000587620650 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(C(F)(F)F)c3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620651 KK Annotated Bother C=CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620652 KK Annotated Mild CCCc1c(-c2cc(Br)ccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620654 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3ccc(Br)cc3F)c2c1 ZINC000587620657 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 ZINC000587620658 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3C(F)(F)F)c(C)c2c1 ZINC000587620659 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC)c(OC)c3)c(C(=O)C(F)F)c2c1 ZINC000587620660 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3ccc(Cl)cc3)c2c1 ZINC000587620661 KK Annotated Bother CCc1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620662 KK Annotated Bother CCOC(=O)c1c(-c2cc(Br)ccc2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620663 KK Annotated Bother CCOC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620664 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3F)c(C)c2c1 ZINC000587620665 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Cl)ccc3OC)c(C(F)(F)F)c2c1 ZINC000587620671 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3Br)c(-c3c(F)cccc3Cl)c2c1 ZINC000587620673 KK Annotated Bother COC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587620674 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(OCC(F)(F)F)c2c1 ZINC000587620677 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)s3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620678 KK Annotated Bother CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620683 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCCO4)c(C(=O)C(F)(F)F)c2c1 ZINC000587620684 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(F)(F)F)c2c1 ZINC000587620685 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4o3)c2c1 ZINC000587620686 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C(F)(F)F)c(SC#N)c2c1 ZINC000587620688 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3F)c(C)c2c1 ZINC000587620690 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3OC(F)(F)F)c(C#N)c2c1 ZINC000587620693 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(-c4ccccc4F)cc3)c(C)c2c1 ZINC000587620697 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)F)cc3)c(C)c2c1 ZINC000587620698 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(-c3ncccc3C)c2c1 ZINC000587620699 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587620703 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)F)c(C(=O)c3cccc4ccccc34)c2c1 ZINC000587620704 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)Nc3ccccc3OC(F)F)c2c1 ZINC000587620706 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3ccccc3F)c(Sc3cc(C)ccc3C)c2c1 ZINC000587620707 KK Annotated Bother O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620708 KK Annotated Reactive COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccncn2)cc1 ZINC000587620713 KK Annotated Bother CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620722 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(Br)ccc3F)c(C)c2c1 ZINC000587620725 KK Annotated Bother CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620726 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(F)(F)F)cc3)c(C)c2c1 ZINC000587620729 KK Annotated Bother CCOC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587620735 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2c1 ZINC000587620742 KK Annotated Bother CCc1ccc(C(=O)c2c(C(F)F)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587620746 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(OC(F)F)cc3)c(C(=O)c3ccc(OC(F)F)cc3)c2c1 ZINC000587620750 KK Annotated Bother COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(C)cc2)c(Br)c1 ZINC000587620756 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(-c3ccccn3)c2c1 ZINC000587620757 KK Annotated Bother CCCCCn1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccccc2OC)c2ccccc21 ZINC000587620773 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2[C@H](C)C#N)cc1 ZINC000587620774 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCC3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587620791 KK Annotated Bother CCc1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587620796 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C(F)(F)F)c(C(=O)c3ccc(I)cc3)c2c1 ZINC000587620798 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(OC)c(OC)c(OC)c3)c(-c3nc4ccccc4n3C)c2c1 ZINC000587620800 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)c(O)c2c1 ZINC000587620806 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)c(O)c2c1 ZINC000587620807 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(OCc3ccccc3)c2c1 ZINC000587620815 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4c(C)n(C)n(-c5ccccc5)c4=O)c3C)c(C#N)c2c1 ZINC000587620817 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3c(C)[nH]c4c(C)cccc4c3=O)c2c1 ZINC000587620818 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3O)c(-c3ccc(F)cc3)c2c1 ZINC000587620819 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(CCc4ccccc4)c3C)c(C#N)c2c1 ZINC000587620841 KK Annotated Mild CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587620842 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CBr)c2c1 ZINC000587620849 KK Annotated Reactive CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587620862 KK Annotated Bother CCOC(=O)Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587620863 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(Sc3ccccc3)c2c1 ZINC000587620864 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(-c3nc4ccccc4[nH]3)c2c1 ZINC000587620875 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3c(C)cc(C)cc3C)c2c1 ZINC000587620881 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccc([N+](=O)[O-])cc34)c(C)c2c1 ZINC000587620889 KK Annotated Bother CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587620892 KK Annotated Bother CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)cc1 ZINC000587620893 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CSc3ccc(F)cc3)c2c1 ZINC000587620895 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)NC3CCCCCCC3)c2c1 ZINC000587620896 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCCC3OCCO3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587620900 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(/C=C/C(=O)NO)n(C)c3)c(-c3ccccc3)c2c1 ZINC000587620901 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(/C=C\C(=O)NO)n(C)c3)c(-c3ccccc3)c2c1 ZINC000587620902 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(=O)c3ccc(N)cc3)c2c1 ZINC000587620903 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4cc(N(C)C)ccc4c3)c(C)c2c1 ZINC000587620906 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccccc3C(C)C)c2c1 ZINC000587620907 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(OC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2c1 ZINC000587620912 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(N(C)C)cc3)c(-c3nc4ccccc4c4ccccc34)c2c1 ZINC000587620914 KK Annotated Clean CCCCC1CCC(c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)CC1 ZINC000587620920 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C(=O)c3ccccc3O)c2c1 ZINC000587620922 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccccc34)c(N3CCC(N(C)C)CC3)c2c1 ZINC000587620938 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587620947 KK Annotated Bother O=C(c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587620949 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)c(O)c(C)c3)c(N3CCCCC3)c2c1 ZINC000587620950 KK Annotated Bother Brc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3[nH]2)cc1 ZINC000587620952 KK Annotated Anodyne CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccc2ccccc2n1 ZINC000587620961 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3nc4ccccc4n3C)c2c1 ZINC000587620964 KK Annotated Bother Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4c3c(Br)cc3n[nH]cc34)c12 ZINC000587620968 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(Oc3cccc4c(O)nccc34)c2c1 ZINC000587620982 KK Annotated Bother CCCCCCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587620990 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000587620993 KK Annotated Bother CCCCCCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)N[C@H]1CCCCC1=O ZINC000587620994 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(C(C)C)cc3)c2c1 ZINC000587620998 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3O)c(C(=O)c3ccc(F)cc3)c2c1 ZINC000587621000 KK Annotated Bother CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621001 KK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621002 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(CCc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000587621006 KK Annotated Bother CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621007 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)cc(O)n4C)c(C)c2c1 ZINC000587621010 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ncccn3)c(C3CCCCC3)c2c1 ZINC000587621013 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3N)c(-c3ccccc3)c2c1 ZINC000587621020 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCOCC3)c(NC(=O)OC(C)(C)C)c2c1 ZINC000587621031 KK Annotated Bother CCCCCCCCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)N[C@H]1CCOC1=O ZINC000587621049 KK Annotated Mild Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621052 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cccc(C)c3C)c2c1 ZINC000587621056 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3Br)c2c1 ZINC000587621061 KK Annotated Bother CCO[C@@H](C)c1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N)cc1 ZINC000587621072 KK Annotated Bother CCO[C@H](C)c1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2N)cc1 ZINC000587621074 KK Annotated Bother O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621075 KK Annotated Anodyne COc1cccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587621081 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000587621087 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(-c3ccncn3)c2c1 ZINC000587621094 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccc(I)c3)c(C#N)c2c1 ZINC000587621095 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCN3CCN(c4ccccn4)CC3)c2c1 ZINC000587621101 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C)NC(=O)OC(C)(C)C)c(-c3ccccc3)c2c1 ZINC000587621103 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C)NC(=O)OC(C)(C)C)c(-c3ccccc3)c2c1 ZINC000587621104 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c2c1 ZINC000587621118 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(C(=O)Nc3ccccc3)c2c1 ZINC000587621125 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587621127 KK Annotated Bother CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621160 KK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c2ccccc21 ZINC000587621172 KK Annotated Bother CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c2ccccc21 ZINC000587621173 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(-c3ccc(Cl)cc3Cl)c2c1 ZINC000587621188 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3c(C)cccc3C)c2c1 ZINC000587621191 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCBr)c2c1 ZINC000587621202 KK Annotated Reactive Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587621205 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(=O)O)cc3)c(-c3ccccn3)c2c1 ZINC000587621214 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(-c3nc(-c4ccc(C)cc4)no3)c2c1 ZINC000587621217 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CCOCC3)c(-c3ccc(F)cc3)c2c1 ZINC000587621220 KK Annotated Bother CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621224 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621225 KK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2C)c(Br)c1 ZINC000587621230 KK Annotated Anodyne CCn1c2ccccc2c2cc(NC(=O)c3c(C)[nH]c4c([N+](=O)[O-])cc(S(=O)(=O)Nc5ccccc5OC)cc34)ccc21 ZINC000587621232 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587621233 KK Annotated Bother NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621234 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](c3ccc([N+](=O)[O-])cc3)[C@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587621236 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587621237 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c([C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3C(=O)Oc4ccccc4C3=O)c2c1 ZINC000587621238 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cccnc3)c(-c3ccccn3)c2c1 ZINC000587621242 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c(C)n(CC(=O)O)c4ccccc34)c(C)c2c1 ZINC000587621248 KK Annotated Bother CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(C(=O)OCC)n1 ZINC000587621249 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(C3C(=O)CC(C)(C)CC3=O)c2c1 ZINC000587621250 KK Annotated Bother CCOC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621257 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(I)cc3)c(C#N)c2c1 ZINC000587621258 KK Annotated Mild Clc1ccc(Nc2c(-c3ccc(Br)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621260 KK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc(-c3[nH]c4c([N+](=O)[O-])cc(S(=O)(=O)Nc5ccccc5OC)cc4c3C#N)c2C)cc1 ZINC000587621271 KK Annotated Mild COC(=O)c1cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C)cn1C(=O)OC(C)(C)C ZINC000587621279 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C)n(-c4ccc(F)cc4)c3C)c(N3CCCC3)c2c1 ZINC000587621286 KK Annotated Clean CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621289 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)Nc3cccnc3)c2c1 ZINC000587621299 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCCCC3OCCO3)c(-c3ccc(F)cc3)c2c1 ZINC000587621300 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)CCCC4)c(C#N)c2c1 ZINC000587621301 KK Annotated Mild CCCCCCCCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1C(=O)N[C@H]1CCOC1=O ZINC000587621305 KK Annotated Mild CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)c(C(=O)OCC)n1 ZINC000587621320 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587621327 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587621328 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587621329 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CC[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587621330 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@H](C#N)c3ccccc3C)c(Cc3ccccc3)c2c1 ZINC000587621331 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@H](C#N)c3ccccc3C)c(Cc3ccccc3)c2c1 ZINC000587621333 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3[N+](=O)[O-])c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587621335 KK Annotated Bother OC(Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000587621337 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(-c3ccnc(SC)n3)c2c1 ZINC000587621340 KK Annotated Bother CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621352 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621353 KK Annotated Anodyne CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621372 KK Annotated Mild CCOC(=O)CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587621385 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587621386 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587621387 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587621388 KK Annotated Anodyne CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621394 KK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621399 KK Annotated Mild COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621402 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621414 KK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621443 KK Annotated Mild O=C(c1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587621446 KK Annotated Anodyne O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621456 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C(=O)O)cc3)c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000587621480 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3I)c(C#N)c2c1 ZINC000587621482 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c2c1 ZINC000587621487 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c2c1 ZINC000587621488 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c2c1 ZINC000587621489 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c2c1 ZINC000587621490 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3ccc(C)cc3C)c2c1 ZINC000587621492 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCCO4)c2c1 ZINC000587621508 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(COc3ccccc3)c2c1 ZINC000587621515 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(Sc3nncs3)c2c1 ZINC000587621520 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4cc(F)ccc34)c(C#N)c2c1 ZINC000587621525 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(N3C(=O)c4ccccc4C3=O)c2c1 ZINC000587621527 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)cc3)c(Cn3ccnc3)c2c1 ZINC000587621531 KK Annotated Bother CCN(c1ccccc1C)c1c(Cc2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621539 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(CSc3ccc(F)cc3)c2c1 ZINC000587621540 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c1 ZINC000587621550 KK Annotated Bother CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621552 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)CCC4)c(-n3c(=O)c(=O)n(C)c4ccccc43)c2c1 ZINC000587621558 KK Annotated Bother CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621561 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C4CCCCC4)cc3)c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587621562 KK Annotated Bother CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621563 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C4CCCCC4)cc3)c([C@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587621564 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(Cc3ccc(I)cc3)c2c1 ZINC000587621565 KK Annotated Bother CCCc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1NC(=O)OC(C)(C)C ZINC000587621568 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(-c3cnccn3)c2c1 ZINC000587621574 KK Annotated Bother CCN(C(=O)c1c(C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12)c1ccccc1C ZINC000587621580 KK Annotated Bother CCOC(=O)c1c(-c2ccccc2I)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621594 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(Oc3ccc(C=O)cc3OC)c2c1 ZINC000587621602 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(F)cc3)c2c1 ZINC000587621603 KK Annotated Bother CCN(Cc1[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc2c1-c1ccccc1)c1ccccc1C ZINC000587621609 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(=O)c3ccc(COC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc3)c2c1 ZINC000587621615 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(Cc3cc(OC)c(O)c([N+](=O)[O-])c3)c(-c3ccc(C)cc3)c2c1 ZINC000587621623 KK Annotated Bother Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621652 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587621656 KK Annotated Unstable COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(-n3c(NCCCO)nc4cc(C)c(C)cc43)c2c1 ZINC000587621675 KK Annotated Bother COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2-c2ccc3ccccc3n2)cc1 ZINC000587621678 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587621685 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C3CC3)c(-c3ccccc3[N+](=O)[O-])c2c1 ZINC000587621692 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc23)n1 ZINC000587621699 KK Annotated Bother Clc1cccc(N2CCN(Cc3c(-c4ccc(Br)cc4)[nH]c4c3c(Br)cc3n[nH]cc34)CC2)c1 ZINC000587621701 KK Annotated Anodyne O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621704 KK Annotated Mild CCCn1c(C)cc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)c1C ZINC000587621711 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4ccccc4c3)c(CN3CCOCC3)c2c1 ZINC000587621713 KK Annotated Bother CCOC(=O)CCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(=O)c1ccc(Br)cc1 ZINC000587621721 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc4ccccc4o3)c(CN3CCOCC3)c2c1 ZINC000587621724 KK Annotated Bother CCn1c(-c2ccccc2)c(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2C#N)c2ccccc21 ZINC000587621736 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCCl)c2c1 ZINC000587621739 KK Annotated Reactive CCc1cccc(CC)c1NC(=O)c1c(-c2ccccc2)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 ZINC000587621743 KK Annotated Bother O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621751 KK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621755 KK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587621760 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621766 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621767 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621768 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621770 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(C)c(C(=O)Nc3cc(C)cc(C)c3)c2c1 ZINC000587621771 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C)c(C)c3)c(-n3ccnc3C(C)C)c2c1 ZINC000587621788 KK Annotated Bother O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621813 KK Annotated Mild COc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587621815 KK Annotated Anodyne Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621822 KK Annotated Mild Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621841 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587621844 KK Annotated Mild Clc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2Oc2ccc3c(c2)CCC3)cc1Cl ZINC000587621846 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)F ZINC000587621861 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4c3c(Br)cc3n[nH]cc34)cc2)cc1 ZINC000587621865 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587621884 KK Annotated Unstable Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587621890 KK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587621891 KK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587621892 KK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587621893 KK Annotated Anodyne O=C(c1c(-c2cccs2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621896 KK Annotated Mild O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587621924 KK Annotated Anodyne CCCCCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2Cl)c2ccccc21 ZINC000587621931 KK Annotated Anodyne O=C(c1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621949 KK Annotated Mild O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12)Nc1ccc(Cl)cc1 ZINC000587621967 KK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621970 KK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587621976 KK Annotated Mild O=C(c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621977 KK Annotated Anodyne O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587621981 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621984 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621985 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621986 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621987 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587621991 KK Annotated Reactive COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)ccc1OC(F)F ZINC000587622007 KK Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622013 KK Annotated Anodyne O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622057 KK Annotated Mild CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587622059 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4c3c(Br)cc3n[nH]cc34)cc2)cc1 ZINC000587622108 KK Annotated Unstable O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622132 KK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587622155 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3c1c(Br)cc1n[nH]cc13)/C(=C\Cl)N2 ZINC000587622182 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3c1c(Br)cc1n[nH]cc13)/C(=C/Cl)N2 ZINC000587622185 KK Annotated Anodyne Oc1ccc(Br)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccccc1F ZINC000587622197 KK Annotated Anodyne CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622211 KK Annotated Anodyne O=C(CCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000587622222 KK Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622249 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622251 KK Annotated Mild O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622283 KK Annotated Anodyne COc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587622295 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622301 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622302 KK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2F)c(Br)c1 ZINC000587622316 KK Annotated Anodyne O=C(c1c(Cc2cc(F)c(F)cc2F)[nH]c2c1c(Br)cc1n[nH]cc12)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587622349 KK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2cccc(F)c2)c(Br)c1 ZINC000587622360 KK Annotated Anodyne CCCCCCCCCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N[C@@H]1CCCCC1=O ZINC000587622362 KK Annotated Mild CCCCCCCCCc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N[C@H]1CCCCC1=O ZINC000587622364 KK Annotated Mild CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4c(c(Br)cc5n[nH]cc54)c3-c3ccccc3)cc2)CCC1 ZINC000587622391 KK Annotated Anodyne COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(F)cc2)c(Br)c1 ZINC000587622481 KK Annotated Anodyne Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587622592 KK Annotated Bother Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587622593 KK Annotated Bother Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587622594 KK Annotated Bother Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587622595 KK Annotated Bother CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622642 KK Annotated Anodyne Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587622664 KK Annotated Anodyne O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622674 KK Annotated Anodyne O=C(c1c(-c2ccc(I)cc2)[nH]c2c1c(Br)cc1n[nH]cc12)C(F)(F)F ZINC000587622687 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587622695 KK Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)O1 ZINC000587622702 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)O1 ZINC000587622703 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)O1 ZINC000587622704 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)O1 ZINC000587622705 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2O)O1 ZINC000587622706 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622735 KK Annotated Mild COc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587622737 KK Annotated Anodyne Oc1cc(Br)ccc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccc(F)cc1 ZINC000587622738 KK Annotated Anodyne COP(=O)(Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587622758 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622779 KK Annotated Anodyne Cc1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587622794 KK Annotated Mild CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c(C(=O)OCC)n1 ZINC000587622849 KK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587622869 KK Annotated Bother CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622915 KK Annotated Mild COc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587622944 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587622958 KK Annotated Anodyne FC(F)(F)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc3ccccc3n2)cc1 ZINC000587622960 KK Annotated Anodyne O=C(Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587623006 KK Annotated Anodyne O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623034 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(I)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623055 KK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c2ccccc21 ZINC000587623058 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c2ccccc21 ZINC000587623059 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587623139 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587623142 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587623159 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623188 KK Annotated Anodyne Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587623227 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587623281 KK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587623330 KK Annotated Anodyne COc1cc(Cc2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587623364 KK Annotated Bother C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4c3c(Br)cc3n[nH]cc34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587623393 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4c3c(Br)cc3n[nH]cc34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587623394 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4c3c(Br)cc3n[nH]cc34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587623395 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4c3c(Br)cc3n[nH]cc34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587623396 KK Annotated Mild CN(C)c1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2nc3ccccc3c3ccccc23)cc1 ZINC000587623401 KK Annotated Clean C[C@]12C=CC(=O)[C@H](CCc3[nH]c4c(c(Br)cc5n[nH]cc54)c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587623410 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4c(c(Br)cc5n[nH]cc54)c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587623411 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4c(c(Br)cc5n[nH]cc54)c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587623412 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4c(c(Br)cc5n[nH]cc54)c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587623413 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(c2[nH]c3c(c(Br)cc4n[nH]cc43)c2C(=O)c2ccccc2)CC1 ZINC000587623460 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623465 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(C(=O)c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 ZINC000587623473 KK Annotated Anodyne COc1cccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587623496 KK Annotated Anodyne COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc([N+](=O)[O-])c1O ZINC000587623507 KK Annotated Bother CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)c(C(=O)OCC)n1 ZINC000587623518 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)n1 ZINC000587623523 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623573 KK Annotated Bother COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623585 KK Annotated Bother CCCCCn1cc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2-c2ccccc2OC)c2ccccc21 ZINC000587623591 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CCCC1OCCO1 ZINC000587623643 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4c3c(Br)cc3n[nH]cc34)c2cc1C ZINC000587623655 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4c3c(Br)cc3n[nH]cc34)c12 ZINC000587623659 KK Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623660 KK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2c1c(Br)cc1n[nH]cc12 ZINC000587623661 KK Annotated Mild Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587623689 KK Annotated Anodyne Cc1ccc(-c2[nH]c3c(c(Br)cc4n[nH]cc43)c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587623692 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 ZINC000587623703 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2c(C)cc(Cl)cc12 ZINC000587623753 KK Annotated Reactive Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3c(C)cc(Cl)cc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587623773 KK Annotated Anodyne CCN1C(=O)[C@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c2ccccc21 ZINC000587623843 KK Annotated Anodyne CCN1C(=O)[C@@](O)(c2c(-c3ccc(C(C)(C)C)cc3)[nH]c3c2c(Br)cc2n[nH]cc23)c2ccccc21 ZINC000587623844 KK Annotated Anodyne Cc1cc(Cl)cc2c(CN3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)c(-c3ccc4nc(O)oc4c3)[nH]c12 ZINC000587623917 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2c(C)cc(Cl)cc12 ZINC000587623991 KK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)[nH]c12 ZINC000587623998 KK Annotated Unstable Cc1cc(Cl)cc2c(C(=O)c3cccc(Br)c3)c(-c3cccc(Br)c3)[nH]c12 ZINC000587624011 KK Annotated Anodyne Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587624067 KK Annotated Mild Cc1cc(Cl)cc2c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c(Cc3cc(F)c(F)cc3F)[nH]c12 ZINC000587624095 KK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)[nH]c12 ZINC000587624234 KK Annotated Unstable CCOC(=O)CCc1[nH]c2c(C)cc(Cl)cc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587624241 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C)cc(Cl)cc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587624242 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C)cc(Cl)cc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587624243 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C)cc(Cl)cc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587624244 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c(C)cc(Cl)cc12 ZINC000587624285 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@@H](O)C[C@]34C)[nH]c12 ZINC000587624340 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@H](O)C[C@@]34C)[nH]c12 ZINC000587624341 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]34OC(C)(C)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]34C)[nH]c12 ZINC000587624342 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@@H](O)C[C@@]34C)[nH]c12 ZINC000587624343 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@H](O)C[C@]34C)[nH]c12 ZINC000587624344 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2c(C)cc(Cl)cc12 ZINC000587624361 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)[nH]c12 ZINC000587624375 KK Annotated Mild Cc1cc(Cl)cc2c(C[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(CNc3c(O)ccc(C(=O)O)c3O)[nH]c12 ZINC000587624378 KK Annotated Mild Cc1cc(Cl)cc2c(C[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(CNc3c(O)ccc(C(=O)O)c3O)[nH]c12 ZINC000587624379 KK Annotated Mild Cc1cc(Cl)cc2c(C[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(CNc3c(O)ccc(C(=O)O)c3O)[nH]c12 ZINC000587624380 KK Annotated Mild Cc1cc(Cl)cc2c(C[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(CNc3c(O)ccc(C(=O)O)c3O)[nH]c12 ZINC000587624381 KK Annotated Mild CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587624404 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587624405 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587624406 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2c(C)cc(Cl)cc12 ZINC000587624407 KK Annotated Anodyne CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 ZINC000587624415 KK Annotated Mild Cc1cc(Cl)cc2c(C(=O)c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(F)(F)F)[nH]c12 ZINC000587624483 KK Annotated Unstable Cc1cc(Cl)cc2c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587624487 KK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624526 KK Annotated Mild Cc1cc(Cl)cc2c(Nc3c(O)ccc(C(=O)O)c3O)c(CC[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)[nH]c12 ZINC000587624539 KK Annotated Mild Cc1cc(Cl)cc2c(Nc3c(O)ccc(C(=O)O)c3O)c(CC[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)[nH]c12 ZINC000587624542 KK Annotated Mild Cc1cc(Cl)cc2c(Nc3c(O)ccc(C(=O)O)c3O)c(CC[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)[nH]c12 ZINC000587624543 KK Annotated Mild Cc1cc(Cl)cc2c(Nc3c(O)ccc(C(=O)O)c3O)c(CC[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)[nH]c12 ZINC000587624544 KK Annotated Mild Cc1cc(Cl)cc2c(C(=O)c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(F)(F)F)[nH]c12 ZINC000587624565 KK Annotated Unstable CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624567 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 ZINC000587624569 KK Annotated Anodyne Cc1cc(Cl)cc2c(C(O)(C(F)(F)F)C(F)(F)F)c(CC(O)(C(F)(F)F)C(F)(F)F)[nH]c12 ZINC000587624614 KK Annotated Mild Cc1cc(Cl)cc2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587624675 KK Annotated Anodyne Cc1cc(Cl)cc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587624678 KK Annotated Mild Cc1cc(Cl)cc2c(-c3cc(F)c(F)cc3F)c(CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)[nH]c12 ZINC000587624712 KK Annotated Anodyne Cc1cc(Cl)cc2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587624741 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587624944 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587624947 KK Annotated Anodyne COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587625064 KK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625079 KK Annotated Anodyne Cc1nn(Cc2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C)c1Cl ZINC000587625098 KK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(C)cc2)c(Br)c1 ZINC000587625101 KK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625104 KK Annotated Anodyne CCc1ccc(O)c(C(=O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1 ZINC000587625105 KK Annotated Anodyne CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587625109 KK Annotated Anodyne O=C(O)[C@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625112 KK Annotated Anodyne O=C(O)[C@@H](c1cccc(Cl)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625113 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)c12 ZINC000587625116 KK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625125 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625138 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625140 KK Annotated Anodyne Cc1cc(C)c(NC(=O)c2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(Cl)c1 ZINC000587625151 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(F)c(Cl)nc1Cl ZINC000587625177 KK Annotated Mild COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)OC ZINC000587625181 KK Annotated Mild CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587625196 KK Annotated Mild CCOC(=O)Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587625197 KK Annotated Mild O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625198 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(CCc3ccc(Br)cc3)c(-c3ccccc3)[nH]c2c1 ZINC000587625203 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587625226 KK Annotated Mild CN(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3c3ccccc23)cc1 ZINC000587625228 KK Annotated Clean O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625229 KK Annotated Reactive CCOC(=O)c1c(Cc2cc(F)c(Cl)nc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625237 KK Annotated Mild O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587625255 KK Annotated Mild Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587625296 KK Annotated Anodyne COc1ccc(-c2c(-c3cc(Cl)ccc3Cl)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625304 KK Annotated Anodyne O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625328 KK Annotated Anodyne OC(Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000587625337 KK Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625346 KK Annotated Anodyne O=C(Nc1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625358 KK Annotated Mild CCCCCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2Cl)c2ccccc21 ZINC000587625361 KK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587625367 KK Annotated Mild O=C(Nc1ccccc1OC(F)F)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625369 KK Annotated Mild O=C(c1ccccc1Cl)c1c(-c2ccccc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625374 KK Annotated Anodyne CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1nnn(-c2ccccc2Cl)c1=O ZINC000587625380 KK Annotated Anodyne Cc1ccc([C@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625398 KK Annotated Anodyne Fc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2Br)cc1 ZINC000587625400 KK Annotated Mild Cc1ccc([C@@H](C(=O)O)c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625401 KK Annotated Anodyne Cc1nc2ccc(C(=O)O)cc2c(Cl)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625405 KK Annotated Anodyne CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587625426 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(Nc3ccc(Cl)cc3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587625429 KK Annotated Anodyne O=C(c1ccc(OC(F)F)cc1)c1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625443 KK Annotated Mild O=C(c1ccc(I)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625444 KK Annotated Mild O=C(CCc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000587625457 KK Annotated Mild O=C(c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587625484 KK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625503 KK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2F)c(Br)c1 ZINC000587625518 KK Annotated Mild CC(C)(C)OC(=O)NC1(c2ccc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3-c3ccccc3)cc2)CCC1 ZINC000587625535 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625555 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625556 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625558 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625560 KK Annotated Mild O=C(c1ccccc1Br)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625562 KK Annotated Mild O=C(Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587625567 KK Annotated Mild O=C(c1cccc(Br)c1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625577 KK Annotated Mild FC(F)(F)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3o2)cc1 ZINC000587625579 KK Annotated Mild CCOC(=O)Cc1c(-c2cccc(SC(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625582 KK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)C(F)(F)F)cc1 ZINC000587625592 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Br)c(OC)c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625596 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O ZINC000587625597 KK Annotated Mild O=C(O)c1ccccc1Sc1c(-c2ccc(OC(F)F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625606 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587625611 KK Annotated Unstable O=C(c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587625621 KK Annotated Mild COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2cccc(F)c2)c(Br)c1 ZINC000587625622 KK Annotated Mild CCOC(=O)c1c(-c2cccc(I)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625626 KK Annotated Anodyne CCCCCCCCc1c(CC(=O)N[C@H]2CCCCC2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625637 KK Annotated Mild CCCCCCCCc1c(CC(=O)N[C@@H]2CCCCC2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625640 KK Annotated Mild O=C(c1c(-c2ccc(I)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625650 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587625652 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587625653 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587625655 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587625656 KK Annotated Mild O=C(c1cccc(OC(F)F)c1)c1c(-c2cccc(OC(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625662 KK Annotated Mild COC(=O)C(=O)c1c(-c2c(Cl)ccc(F)c2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625666 KK Annotated Mild O=C(CC(=O)Oc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)Nc1ccc(Cl)cc1 ZINC000587625680 KK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000587625683 KK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587625684 KK Annotated Mild O=C(O)c1cccnc1Sc1c(-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625687 KK Annotated Mild FC(F)(F)c1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3o2)c1 ZINC000587625688 KK Annotated Mild CCc1ccc(O)c(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)c2ccc(Cl)cc2)c1 ZINC000587625693 KK Annotated Anodyne Oc1ccc(Br)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1F ZINC000587625695 KK Annotated Mild COc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587625700 KK Annotated Mild CCOC(=O)CCC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625710 KK Annotated Anodyne COc1ccc(C(=O)c2c(C(F)(F)C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625723 KK Annotated Mild O=C(O)[C@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625728 KK Annotated Mild O=C(O)[C@@H](c1cccc(F)c1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625736 KK Annotated Mild Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1-c1ccc(Br)cc1 ZINC000587625739 KK Annotated Mild COC(=O)[C@@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625744 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625747 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587625756 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587625761 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587625762 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](c1ccc(Cl)cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587625763 KK Annotated Anodyne O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587625813 KK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(F)cc2)c(Br)c1 ZINC000587625822 KK Annotated Mild CCOC(=O)c1c(-c2ccc(Cl)c(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625825 KK Annotated Anodyne CCCCCCCCCCc1c(-c2ccc3cc(N(C)C)ccc3c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625838 KK Annotated Mild Cc1nc2ccc(Br)cc2c(Cl)c1Cc1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625846 KK Annotated Anodyne Cc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587625856 KK Annotated Anodyne FC(F)n1c(-c2c(-c3cccs3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)nc2ccccc21 ZINC000587625857 KK Annotated Mild CCOC(=O)CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CC(=O)c1ccc(Br)cc1 ZINC000587625860 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625877 KK Annotated Mild Oc1ccc(Br)cc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccccc1 ZINC000587625878 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625879 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625893 KK Annotated Mild O=C(c1c(-c2cccc(Br)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625898 KK Annotated Mild CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587625903 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)F ZINC000587625914 KK Annotated Mild COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587625919 KK Annotated Mild O=C(c1c(-c2cccs2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587625922 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2O)O1 ZINC000587625926 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2O)O1 ZINC000587625927 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2O)O1 ZINC000587625928 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2O)O1 ZINC000587625929 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2O)O1 ZINC000587625930 KK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587625936 KK Annotated Mild Cc1cc(Cl)cc2c(O)c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)[nH]c12 ZINC000587625949 KK Annotated Anodyne CCOC(=O)c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587625954 KK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625973 KK Annotated Mild O=S(=O)(Oc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587625974 KK Annotated Unstable O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587625989 KK Annotated Mild O=C(c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626009 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)cc2)cc1 ZINC000587626031 KK Annotated Unstable COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2)c(Br)c1 ZINC000587626041 KK Annotated Anodyne CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626046 KK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(Br)cc1 ZINC000587626052 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F ZINC000587626074 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(NOCC(=O)O)=CC[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O ZINC000587626094 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587626144 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587626150 KK Annotated Unstable CCCCCCCCCCCCCCc1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626158 KK Annotated Mild O=C(c1ccc(Cl)cc1Cl)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626162 KK Annotated Anodyne Oc1cc(Br)ccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-c1ccc(F)cc1 ZINC000587626166 KK Annotated Mild COc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C(=O)C(F)(F)F)ccc1OC(F)F ZINC000587626194 KK Annotated Mild CCOC(=O)c1c(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626198 KK Annotated Bother Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)Nc1ccc(I)cc1 ZINC000587626200 KK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626211 KK Annotated Anodyne Cc1cc(Cl)cc2c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c(-c3ccc(C(C)(C)C(=O)O)cc3)[nH]c12 ZINC000587626242 KK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2C)c(Br)c1 ZINC000587626246 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(Oc3ccc4c(c3)CCC4)c(-c3ccc(Cl)c(Cl)c3)[nH]c2c1 ZINC000587626251 KK Annotated Anodyne CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587626269 KK Annotated Anodyne COP(=O)(Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1Oc1cccc(C(F)(F)F)c1)OC ZINC000587626283 KK Annotated Mild COC(=O)C(C(=O)OC)(C(=O)c1cc(F)cc(F)c1)c1c(-c2ccc(S(C)(=O)=O)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626287 KK Annotated Mild O=C(c1cccc(Cl)c1)c1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626306 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626309 KK Annotated Reactive COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c13)/C(=C/Cl)N2 ZINC000587626327 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)N(c1c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c13)/C(=C\Cl)N2 ZINC000587626344 KK Annotated Anodyne COc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587626347 KK Annotated Mild CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626350 KK Annotated Mild O=[N+]([O-])c1ccc(Oc2c(-c3ccc(Br)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626356 KK Annotated Bother CCOC(=O)CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587626357 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587626366 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587626367 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587626370 KK Annotated Anodyne O=C(c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626389 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626403 KK Annotated Mild CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1c(Cl)ccc(F)c1Cl ZINC000587626412 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587626423 KK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccccc1Br ZINC000587626425 KK Annotated Anodyne Cc1c(-c2cc(Br)ccc2OC(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626477 KK Annotated Mild O=C(c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587626478 KK Annotated Mild O=C(c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587626503 KK Annotated Mild COc1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)ccc1OC(F)F ZINC000587626504 KK Annotated Mild CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626508 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626509 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626510 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626511 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626516 KK Annotated Mild Cc1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626531 KK Annotated Mild COC(=O)c1nnn(-c2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)OC ZINC000587626535 KK Annotated Mild O=C(c1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12)C(F)(F)F ZINC000587626538 KK Annotated Mild Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CC1 ZINC000587626543 KK Annotated Mild COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587626559 KK Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587626561 KK Annotated Clean O=C(c1ccc(Br)cc1)c1c(C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626575 KK Annotated Mild C[C@@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCC1OCCO1 ZINC000587626582 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCC1OCCO1 ZINC000587626584 KK Annotated Anodyne Fc1cccc(Cl)c1-c1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626592 KK Annotated Mild Fc1ccccc1-c1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626606 KK Annotated Mild CCCCCCCCCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N[C@@H]1CCCCC1=O ZINC000587626615 KK Annotated Mild CCCCCCCCCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)N[C@H]1CCCCC1=O ZINC000587626618 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587626626 KK Annotated Mild FC(F)(F)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc3ccccc3n2)cc1 ZINC000587626628 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587626629 KK Annotated Mild CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626632 KK Annotated Anodyne C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587626633 KK Annotated Mild CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626635 KK Annotated Anodyne C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587626637 KK Annotated Mild FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)[nH]c2c1 ZINC000587626638 KK Annotated Anodyne CCc1ccc(NCc2c(-c3ccc(Br)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626640 KK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626647 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626660 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)[nH]c2c1 ZINC000587626666 KK Annotated Anodyne COc1cc(C=O)ccc1Oc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626668 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)cc2)cc1 ZINC000587626709 KK Annotated Unstable CC(C)(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000587626711 KK Annotated Mild CCOC(=O)c1c(-c2ccccc2I)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626712 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626741 KK Annotated Reactive O=C(c1ccccc1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626745 KK Annotated Mild O=C(c1cccs1)c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626747 KK Annotated Mild Nc1c(Cl)cc(Cl)cc1C(=O)Oc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626753 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587626767 KK Annotated Mild COC(=O)c1c(-c2cccc(I)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626769 KK Annotated Anodyne O=C(c1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Cl)cc2)c[nH]1)C(Cl)(Cl)Cl ZINC000587626783 KK Annotated Anodyne Oc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(Br)cc2)c(O)c1 ZINC000587626801 KK Annotated Anodyne NC(=O)c1ccccc1Oc1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626830 KK Annotated Anodyne FC(F)(F)c1cc(C(F)(F)F)c2c(-c3nc4ccccc4[nH]3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587626831 KK Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2c(C)cc(Cl)cc2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587626836 KK Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2c(C)cc(Cl)cc2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587626837 KK Annotated Clean CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626846 KK Annotated Anodyne O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626847 KK Annotated Reactive O=C(c1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626853 KK Annotated Anodyne Cc1cc(Cl)cc2c(OC(=O)c3ccc(COC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc3)c(-c3ccccc3)[nH]c12 ZINC000587626902 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626921 KK Annotated Mild O=Cc1ccc(Oc2c(-c3ccc(Cl)c(Cl)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587626955 KK Annotated Anodyne CCOC(=O)Cc1c(CCC(=O)c2ccc(Br)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626963 KK Annotated Anodyne CCOC(=O)CCCCCc1c(-c2cccc(Cl)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626965 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587626968 KK Annotated Reactive Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587627203 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3c(C)cc(Cl)cc23)n1 ZINC000587627228 KK Annotated Anodyne Cc1cc(Cl)cc2c([C@H](C(=O)O)c3cn(C)c4ccccc34)c(-c3ccc(C4CCCCC4)cc3)[nH]c12 ZINC000587627258 KK Annotated Anodyne Cc1cc(Cl)cc2c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c(-c3ccc(C4CCCCC4)cc3)[nH]c12 ZINC000587627260 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4c(C)cc(Cl)cc34)c2cc1C ZINC000587627331 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627523 KK Annotated Anodyne CCOC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627524 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587627531 KK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C(=O)OCC)n1 ZINC000587627544 KK Annotated Anodyne Cn1c(=O)c(=O)n(-c2c(-c3ccc4c(c3)CCC4)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c2ccccc21 ZINC000587627581 KK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2cc(C)cc([N+](=O)[O-])c2O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627589 KK Annotated Bother Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c2ccccc21 ZINC000587627590 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c2ccccc21 ZINC000587627591 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2[C@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587627593 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2[C@@H](C(=O)O)c2cn(C)c3ccccc23)cc1 ZINC000587627594 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc1 ZINC000587627605 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587627634 KK Annotated Bother Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587627635 KK Annotated Bother Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2C1=O ZINC000587627636 KK Annotated Bother Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1C(=O)Oc2ccccc2C1=O ZINC000587627637 KK Annotated Bother COC(=O)[C@]1(Cc2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587627688 KK Annotated Anodyne COC(=O)[C@@]1(Cc2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)CN(C(=O)OC(C)(C)C)CCC1=O ZINC000587627689 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(F)c(Cl)c2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587627722 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(F)c(Cl)c2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587627723 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(F)c(Cl)c2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587627724 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(F)c(Cl)c2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587627725 KK Annotated Anodyne CCCCCn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccccc2OC)c2ccccc21 ZINC000587627810 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2N/C1=C/N1CCOCC1 ZINC000587627843 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587627847 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587627848 KK Annotated Anodyne O=C(c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587627850 KK Annotated Anodyne Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1N1C(=O)c2ccccc2N/C1=C\N1CCOCC1 ZINC000587627852 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)Cc2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)C(C)(C)C1 ZINC000587627885 KK Annotated Anodyne Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587627886 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(C)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587627900 KK Annotated Anodyne CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C ZINC000587627918 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587627951 KK Annotated Bother COc1cc(C=O)ccc1Oc1c(-c2ccc([N+](=O)[O-])cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587627953 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc(Cl)c(F)cc23)CC1 ZINC000587628028 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587628052 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3ccc(F)c(Cl)c23)CC1 ZINC000587628055 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587628056 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587628058 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2ccc(F)c(Cl)c12 ZINC000587628059 KK Annotated Anodyne CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628109 KK Annotated Anodyne CCOC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cc(C)cc([N+](=O)[O-])c1O ZINC000587628113 KK Annotated Bother CC(C)(C)OC(=O)N1CCC[C@@H]1c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCC1OCCO1 ZINC000587628138 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2cc(Cl)c(F)cc12 ZINC000587628140 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc(Cl)c(F)cc12 ZINC000587628143 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc(Cl)c(F)cc12 ZINC000587628144 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2cc(Cl)c(F)cc12 ZINC000587628145 KK Annotated Anodyne CCOC(=O)c1cn(-c2c(-c3ccc(OC)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c(C(=O)OCC)n1 ZINC000587628246 KK Annotated Anodyne COc1cc(Cc2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2ccc(C)cc2)cc([N+](=O)[O-])c1O ZINC000587628272 KK Annotated Bother COC(=O)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1ccc(N2CCOCC2)cc1 ZINC000587628276 KK Annotated Anodyne COc1cc(-c2c(Cc3ccc(C)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)cc([N+](=O)[O-])c1O ZINC000587628280 KK Annotated Bother CC(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587628286 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)c2cc1C ZINC000587628291 KK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc(-c3[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c4c3C#N)c2C)cc1 ZINC000587628292 KK Annotated Mild CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628304 KK Annotated Anodyne CCCCCCc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587628313 KK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587628361 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628425 KK Annotated Anodyne COc1cccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587628437 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(Cl)c(F)cc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587628440 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(Cl)c(F)cc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587628441 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(Cl)c(F)cc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587628442 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(Cl)c(F)cc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587628443 KK Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccc(OC)cc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)OC ZINC000587628468 KK Annotated Anodyne O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3ccc(F)c(Cl)c23)CC1 ZINC000587628510 KK Annotated Anodyne COC(=O)C(=O)c1c(-c2ccc(N3CCOCC3)cc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628513 KK Annotated Clean CCOC(=O)c1c(COCCN2C(=O)c3ccccc3C2=O)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628528 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)n1 ZINC000587628589 KK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3o2)cc1 ZINC000587628601 KK Annotated Anodyne COC(=O)c1nnn(-c2c(-c3ccccc3)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)c1C(=O)OC ZINC000587628610 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628615 KK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587628646 KK Annotated Anodyne O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2ccc(F)c(Cl)c12 ZINC000587628661 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587628673 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2ccc(F)c(Cl)c12 ZINC000587628693 KK Annotated Reactive CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc(Cl)c(F)cc12 ZINC000587628702 KK Annotated Reactive Nc1ccccc1-c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1C(=O)c2ccccc2C1=O ZINC000587628718 KK Annotated Anodyne COc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2-c2nc3ccccc3n2C)cc(OC)c1OC ZINC000587628722 KK Annotated Anodyne CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628723 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccccc4)[nH]c4cc(C(F)(F)F)cc(C(F)(F)F)c34)c12 ZINC000587628728 KK Annotated Anodyne Cc1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2C#N)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587628731 KK Annotated Mild CC(C)(C(=O)O)c1ccc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587628732 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2[N+](=O)[O-])[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 ZINC000587628740 KK Annotated Bother COc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587628760 KK Annotated Anodyne O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3cc(Cl)c(F)cc23)CC1 ZINC000587628846 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2cc(Cl)c(F)cc12 ZINC000587628927 KK Annotated Mild O=C(c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587628951 KK Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc(Cl)c(F)cc3c2O)O1 ZINC000587628974 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(Cl)c(F)cc3c2O)O1 ZINC000587628975 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(Cl)c(F)cc3c2O)O1 ZINC000587628977 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc(Cl)c(F)cc3c2O)O1 ZINC000587628981 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(Cl)c(F)cc3c2O)O1 ZINC000587628985 KK Annotated Mild O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2cc(Cl)c(F)cc12 ZINC000587629019 KK Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2cc(Cl)c(F)cc2c1O ZINC000587629217 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(Cl)c(F)cc12 ZINC000587629295 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)c1[nH]c2ccc(F)c(Cl)c2c1O ZINC000587629308 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc(F)c(Cl)c12 ZINC000587629335 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2ccc(F)c(Cl)c12 ZINC000587629429 KK Annotated Mild COc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2-c2nc3ccccc3n2C(F)F)cc(OC)c1OC ZINC000587629462 KK Annotated Anodyne CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3ccc(F)c(Cl)c3c2O)O1 ZINC000587629498 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3ccc(F)c(Cl)c3c2O)O1 ZINC000587629499 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3ccc(F)c(Cl)c3c2O)O1 ZINC000587629500 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3ccc(F)c(Cl)c3c2O)O1 ZINC000587629501 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3ccc(F)c(Cl)c3c2O)O1 ZINC000587629502 KK Annotated Mild COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587629511 KK Annotated Anodyne COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587629534 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4ccc(F)c(Cl)c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587629558 KK Annotated Unstable O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629567 KK Annotated Mild O=C(Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587629585 KK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629595 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(Cl)c(F)cc34)cc2)cc1 ZINC000587629596 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4cc(Cl)c(F)cc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587629607 KK Annotated Unstable Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629768 KK Annotated Mild O=C(Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(F)c(F)cc1F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587629797 KK Annotated Mild OC(Cc1[nH]c2cc(Cl)c(F)cc2c1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000587629798 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4cc(Cl)c(F)cc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587629800 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4ccc(F)c(Cl)c34)cc2)cc1 ZINC000587629827 KK Annotated Unstable O=C(c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc(Cl)c(F)cc12)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000587629863 KK Annotated Mild Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629928 KK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587629933 KK Annotated Mild O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587629945 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587630006 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630024 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(Cl)c(F)cc34)cc2)cc1 ZINC000587630045 KK Annotated Unstable CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 ZINC000587630066 KK Annotated Mild CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 ZINC000587630094 KK Annotated Mild Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)CC1 ZINC000587630155 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4ccc(F)c(Cl)c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587630236 KK Annotated Unstable OC(Cc1[nH]c2ccc(F)c(Cl)c2c1C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000587630269 KK Annotated Mild Oc1nc2ccccc2n1C1=CCN(CCc2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)CC1 ZINC000587630301 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4ccc(F)c(Cl)c34)cc2)cc1 ZINC000587630302 KK Annotated Unstable CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587630322 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587630325 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587630362 KK Annotated Mild CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2ccc(F)c(Cl)c12 ZINC000587630879 KK Annotated Anodyne C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4ccc(F)c(Cl)c34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587630939 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4ccc(F)c(Cl)c34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587630940 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4ccc(F)c(Cl)c34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587630941 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4ccc(F)c(Cl)c34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587630942 KK Annotated Mild CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587631078 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587631079 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631091 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 ZINC000587631092 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631102 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 ZINC000587631103 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cc(Cl)c(F)cc23)cc1 ZINC000587631129 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc(Cl)c(F)cc23)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587631242 KK Annotated Anodyne C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc(Cl)c(F)cc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587631254 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc(Cl)c(F)cc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587631257 KK Annotated Mild O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3ccc(F)c(Cl)c23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587631258 KK Annotated Anodyne C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc(Cl)c(F)cc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587631259 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc(Cl)c(F)cc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587631262 KK Annotated Mild Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587631486 KK Annotated Bother CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3cc(Cl)c(F)cc23)n1 ZINC000587631533 KK Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2cc(Cl)c(F)cc2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587631637 KK Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2cc(Cl)c(F)cc2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587631638 KK Annotated Clean C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(Cl)c(F)cc34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587631653 KK Annotated Mild C[C@]12C=CC(=O)[C@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(Cl)c(F)cc34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587631754 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(Cl)c(F)cc34)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587631755 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](Cc3c(CNc4c(O)ccc(C(=O)O)c4O)[nH]c4cc(Cl)c(F)cc34)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587631756 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4ccc(F)c(Cl)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587631758 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4ccc(F)c(Cl)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587631759 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4ccc(F)c(Cl)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587631760 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4ccc(F)c(Cl)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587631761 KK Annotated Mild Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587631778 KK Annotated Bother Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3ccc(F)c(Cl)c23)cc1 ZINC000587631783 KK Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2ccc(F)c(Cl)c2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@H]2CCCCO2)[C@H](C)O1 ZINC000587631854 KK Annotated Clean COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(c1[nH]c2ccc(F)c(Cl)c2c1O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1 ZINC000587631855 KK Annotated Clean Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 ZINC000587631995 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc(Cl)c(F)cc23)c2ccccc21 ZINC000587631996 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4ccc(F)c(Cl)c34)c2cc1C ZINC000587632122 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3ccc(F)c(Cl)c23)n1 ZINC000587632431 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4cc(Cl)c(F)cc34)c2cc1C ZINC000587632548 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cc(F)ccc3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587632669 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc(F)ccc12 ZINC000587632730 KK Annotated Reactive Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4cccc(F)c34)c12 ZINC000587632965 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4cc(F)ccc34)c12 ZINC000587633182 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cccc(F)c12 ZINC000587633204 KK Annotated Reactive O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3cc(F)ccc23)CC1 ZINC000587633248 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cccc(F)c3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587633287 KK Annotated Anodyne O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3cccc(F)c23)CC1 ZINC000587633304 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cccc(F)c34)cc2)cc1 ZINC000587633352 KK Annotated Unstable CCOC(=O)CCc1[nH]c2cccc(F)c2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587633420 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cccc(F)c2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587633423 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cccc(F)c2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587633428 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cccc(F)c2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587633429 KK Annotated Anodyne O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc(F)ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587633512 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(F)ccc3c2O)O1 ZINC000587633611 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(F)ccc3c2O)O1 ZINC000587633613 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc(F)ccc3c2O)O1 ZINC000587633614 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cc(F)ccc3c2O)O1 ZINC000587633615 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cc(F)ccc3c2O)O1 ZINC000587633617 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(F)ccc34)cc2)cc1 ZINC000587633650 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4cccc(F)c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587633666 KK Annotated Unstable CCOC(=O)CCc1[nH]c2cc(F)ccc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587633763 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(F)ccc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587633764 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(F)ccc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587633765 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2cc(F)ccc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587633766 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2cccc(F)c12 ZINC000587633839 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)[nH]c2cc(F)ccc12 ZINC000587633866 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(F)ccc12 ZINC000587633898 KK Annotated Mild CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cccc(F)c12 ZINC000587633910 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc(F)ccc34)cc2)cc1 ZINC000587633939 KK Annotated Unstable O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc(F)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587633963 KK Annotated Mild CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2cc(F)ccc12 ZINC000587633967 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc(F)ccc12 ZINC000587633968 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc(F)ccc12 ZINC000587633969 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2cc(F)ccc12 ZINC000587633970 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cccc(F)c34)cc2)cc1 ZINC000587634019 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4cc(F)ccc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587634032 KK Annotated Unstable CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2cc(F)ccc12 ZINC000587634193 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4cc(F)ccc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587634237 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4cccc(F)c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587634266 KK Annotated Unstable CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cccc(F)c3c2O)O1 ZINC000587634384 KK Annotated Mild CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(c2[nH]c3cccc(F)c3c2O)O1 ZINC000587634385 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cccc(F)c3c2O)O1 ZINC000587634386 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]3(C)[C@]2(c2[nH]c3cccc(F)c3c2O)O1 ZINC000587634387 KK Annotated Mild CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(c2[nH]c3cccc(F)c3c2O)O1 ZINC000587634388 KK Annotated Mild CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2cccc(F)c12 ZINC000587634408 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cccc(F)c12 ZINC000587634413 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cccc(F)c12 ZINC000587634418 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2cccc(F)c12 ZINC000587634421 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(F)ccc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587634468 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2cc(F)ccc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587634469 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cccc(F)c12 ZINC000587634571 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cccc(F)c12 ZINC000587634573 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cccc(F)c23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587634578 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2cccc(F)c2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587634611 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2cccc(F)c2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587634612 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cccc(F)c23)cc1 ZINC000587634914 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc(F)ccc12 ZINC000587634969 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc(F)ccc12 ZINC000587634971 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2cccc(F)c12 ZINC000587635060 KK Annotated Anodyne O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc(F)ccc23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587635095 KK Annotated Anodyne C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cccc(F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587635195 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cccc(F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587635196 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cccc(F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587635198 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cccc(F)c4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587635199 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc(F)ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587635415 KK Annotated Mild C[C@]12C=CC(=O)[C@@H](CCc3[nH]c4cc(F)ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587635416 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc(F)ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@@H]1[C@@H]1CC[C@H]2O1 ZINC000587635417 KK Annotated Mild C[C@]12C=CC(=O)[C@H](CCc3[nH]c4cc(F)ccc4c3Nc3c(O)ccc(C(=O)O)c3O)[C@H]1[C@@H]1CC[C@H]2O1 ZINC000587635418 KK Annotated Mild Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cc(F)ccc23)cc1 ZINC000587635852 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4cc(F)ccc34)c2cc1C ZINC000587636150 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4cccc(F)c34)c2cc1C ZINC000587636344 KK Annotated Anodyne Cc1ccc(-c2[nH]c3cccc(F)c3c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587636355 KK Annotated Bother CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 ZINC000587637056 KK Annotated Mild CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637145 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587637146 KK Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587637200 KK Annotated Mild Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)cc1 ZINC000587637403 KK Annotated Anodyne O=C(O)c1cccc2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587637443 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587637494 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587637495 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587637496 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2c(C(=O)O)cccc12 ZINC000587637497 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3c(C(=O)O)cccc23)CC1 ZINC000587637559 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587637600 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587637604 KK Annotated Anodyne O=C(O)c1cccc2c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c(-c3ccc(F)cc3)[nH]c12 ZINC000587637785 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587637806 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587637807 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4c(C(=O)O)cccc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587637832 KK Annotated Unstable O=C(O)c1cccc2c(CN3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)c(-c3ccc4nc(O)oc4c3)[nH]c12 ZINC000587637840 KK Annotated Anodyne COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587638020 KK Annotated Anodyne O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c12 ZINC000587638045 KK Annotated Mild Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587638134 KK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3c(C(=O)O)cccc23)c2ccccc21 ZINC000587638499 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3c(C(=O)O)cccc23)c2ccccc21 ZINC000587638501 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2c(C(=O)O)cccc12 ZINC000587638548 KK Annotated Reactive Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587638552 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000587638627 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCN(C(=O)OC(C)(C)C)CC3)c2c1 ZINC000587638628 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587638640 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2c(C(=O)O)cccc12 ZINC000587638827 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4c(C(=O)O)cccc34)cc2)cc1 ZINC000587638844 KK Annotated Unstable CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638882 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 ZINC000587638883 KK Annotated Anodyne Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2OC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 ZINC000587638915 KK Annotated Bother CC[C@@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587638963 KK Annotated Reactive CC[C@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587638964 KK Annotated Reactive Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4c(C(=O)O)cccc34)c2cc1C ZINC000587639038 KK Annotated Anodyne O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4c(C(=O)O)cccc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587639138 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4c(C(=O)O)cccc34)cc2)cc1 ZINC000587639147 KK Annotated Unstable CCOC(=O)CCc1[nH]c2c(C(=O)O)cccc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587639201 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C(=O)O)cccc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587639202 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C(=O)O)cccc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587639203 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2c(C(=O)O)cccc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587639204 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CN3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000587639228 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(Br)cc3)c(CN3CCN(c4cccc(Cl)c4)CC3)c2c1 ZINC000587639229 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C(=O)c3cccc(Br)c3)c2c1 ZINC000587639233 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cccc(Br)c3)c(C(=O)c3cccc(Br)c3)c2c1 ZINC000587639234 KK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3c(C(=O)O)cccc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587639267 KK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3c(C(=O)O)cccc3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587639402 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587639440 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587639441 KK Annotated Anodyne CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587639442 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587639443 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(C)=O)c2c1 ZINC000587639565 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(C)=O)c2c1 ZINC000587639566 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(CC(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 ZINC000587639636 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CC(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c2c1 ZINC000587639638 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587639708 KK Annotated Unstable CC[C@@H](C)c1ccc2[nH]c(-c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587639709 KK Annotated Unstable CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(Oc3c(C(=O)c4ccc(Cl)cc4Cl)c(C)nn3C)c2c1 ZINC000587639769 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(Oc3c(C(=O)c4ccc(Cl)cc4Cl)c(C)nn3C)c2c1 ZINC000587639770 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587639777 KK Annotated Unstable CC[C@@H](C)c1ccc2[nH]c(-c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587639778 KK Annotated Unstable CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(Oc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)c2c1 ZINC000587639805 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(Oc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)c2c1 ZINC000587639806 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587639839 KK Annotated Unstable CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587639840 KK Annotated Unstable CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587639871 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587639874 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@H](C)CC)cc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587639875 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc([C@@H](C)CC)cc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587639878 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587640224 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587640229 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587640230 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587640232 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc4nc(O)oc4c3)c(CN3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)c2c1 ZINC000587640264 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc4nc(O)oc4c3)c(CN3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)c2c1 ZINC000587640265 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(Cc3cc(F)c(F)cc3F)c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1 ZINC000587640332 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(Cc3cc(F)c(F)cc3F)c(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1 ZINC000587640340 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587640631 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587640639 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587640817 KK Annotated Unstable CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587640820 KK Annotated Unstable CC[C@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000587641054 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000587641055 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c2c1 ZINC000587641056 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c2c1 ZINC000587641057 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c2c1 ZINC000587641058 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CNc3c(O)ccc(C(=O)O)c3O)c(C[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c2c1 ZINC000587641059 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587641416 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587641420 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c(O)c2c1 ZINC000587641422 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c(O)c2c1 ZINC000587641429 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)c(-c3cc(F)c(F)cc3F)c2c1 ZINC000587641481 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(CC(=O)N3CCn4c(nnc4C(F)(F)F)C3)c(-c3cc(F)c(F)cc3F)c2c1 ZINC000587641486 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587641581 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587641582 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(-n3c(NCCCO)nc4cc(C)c(C)cc43)c2c1 ZINC000587641822 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(-n3c(NCCCO)nc4cc(C)c(C)cc43)c2c1 ZINC000587641825 KK Annotated Anodyne CCCCCCc1[nH]c2ccc([C@@H](C)CC)cc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587642246 KK Annotated Anodyne CCCCCCc1[nH]c2ccc([C@H](C)CC)cc2c1CCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O ZINC000587642247 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3ccc([C@@H](C)CC)cc23)n1 ZINC000587642279 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(-c2c(-c3ccc(OC)c(OC)c3)[nH]c3ccc([C@H](C)CC)cc23)n1 ZINC000587642284 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)C(=O)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587642318 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)C(=O)C[C@@]43C)c(OC(C)=O)c2c1 ZINC000587642322 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(-c3cc(OC)c(OC)c(OC)c3)c(-c3nc4ccccc4n3C(F)F)c2c1 ZINC000587642344 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3cc(OC)c(OC)c(OC)c3)c(-c3nc4ccccc4n3C(F)F)c2c1 ZINC000587642353 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587642473 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)c(F)c3)c(OC(=O)c3cc(C4CC4)nc4onc(C)c34)c2c1 ZINC000587642474 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642483 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587642484 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587642703 KK 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)C(F)(F)C(F)(F)F)c2c1 ZINC000587642707 KK Annotated Mild CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642747 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587642748 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587642751 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587642752 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc([C@H](C)CC)cc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587642784 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@H](O)C[C@@]34C)c(O)c2c1 ZINC000587642786 KK Annotated Mild CCOC(=O)CCc1[nH]c2ccc([C@H](C)CC)cc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587642787 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]34C)c(O)c2c1 ZINC000587642788 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@H](O)C[C@]34C)c(O)c2c1 ZINC000587642791 KK Annotated Mild CCOC(=O)CCc1[nH]c2ccc([C@H](C)CC)cc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587642792 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@@H](O)C[C@]34C)c(O)c2c1 ZINC000587642793 KK Annotated Mild CCOC(=O)CCc1[nH]c2ccc([C@H](C)CC)cc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587642796 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@@H]5[C@@H](O)C[C@@]34C)c(O)c2c1 ZINC000587642797 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c([C@@]34OC(C)(C)O[C@@H]3C[C@H]3[C@@H]5C[C@H](F)C6=CC(=O)C=C[C@]6(C)[C@H]5[C@@H](O)C[C@@]34C)c(O)c2c1 ZINC000587642799 KK Annotated Mild CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2ccc([C@@H](C)CC)cc12 ZINC000587643037 KK Annotated Anodyne CCCCCc1c(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)[nH]c2ccc([C@H](C)CC)cc12 ZINC000587643040 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c2c1 ZINC000587643200 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4cccc([N+](=O)[O-])c34)c12 ZINC000587643215 KK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c2c1 ZINC000587643217 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(C(C(=O)OC)(C(=O)OC)C(=O)c3cc(F)cc(F)c3)c2c1 ZINC000587643250 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(C(C(=O)OC)(C(=O)OC)C(=O)c3cc(F)cc(F)c3)c2c1 ZINC000587643252 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C4CCCCC4)cc3)c([C@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587643397 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C4CCCCC4)cc3)c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587643407 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C4CCCCC4)cc3)c([C@@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587643408 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C4CCCCC4)cc3)c([C@H](C(=O)O)c3cn(C)c4ccccc34)c2c1 ZINC000587643409 KK Annotated Anodyne CCOC(=O)[C@@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643468 KK Annotated Bother CCOC(=O)[C@H](C(=O)c1ccccc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643469 KK Annotated Bother CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c2c1 ZINC000587643518 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c2c1 ZINC000587643523 KK Annotated Anodyne CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3ccc(COC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc3)c2c1 ZINC000587643531 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccccc3)c(OC(=O)c3ccc(COC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cc3)c2c1 ZINC000587643538 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(OC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2c1 ZINC000587643549 KK Annotated Bother CC[C@@H](C)c1ccc2[nH]c(-c3ccc(C)cc3)c(OC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)c2c1 ZINC000587643551 KK Annotated Bother CC[C@H](C)c1ccc2[nH]c(CC[C@@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587643670 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CC[C@@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587643671 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CC[C@H]3C(=O)C=C[C@@]4(C)[C@H]3[C@@H]3CC[C@H]4O3)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587643672 KK Annotated Mild CC[C@H](C)c1ccc2[nH]c(CC[C@H]3C(=O)C=C[C@]4(C)[C@H]5CC[C@H](O5)[C@H]34)c(Nc3c(O)ccc(C(=O)O)c3O)c2c1 ZINC000587643673 KK Annotated Mild CC[C@@H](C)c1ccc2[nH]c([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)c(O)c2c1 ZINC000587643794 KK Annotated Clean CC[C@H](C)c1ccc2[nH]c([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)c(O)c2c1 ZINC000587643805 KK Annotated Clean CC[C@H](C)c1ccc2[nH]c([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O[C@@H]6CCCCO6)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)c(O)c2c1 ZINC000587643806 KK Annotated Clean CC[C@@H](C)c1ccc2[nH]c([C@]3(O)Cc4c(O)c5c(c(O)c4[C@@H](O[C@H]4C[C@H](N)[C@H](O[C@H]6CCCCO6)[C@H](C)O4)C3)C(=O)c3c(OC)cccc3C5=O)c(O)c2c1 ZINC000587643807 KK Annotated Clean O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587643908 KK Annotated Bother O=C(c1cccc(Br)c1)c1c(-c2cccc(Br)c2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587643936 KK Annotated Bother CC[C@@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c(O)c2c1 ZINC000587644063 KK Annotated Anodyne CC[C@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(NOCC(=O)O)=CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)c(O)c2c1 ZINC000587644064 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000587644092 KK Annotated Bother Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4cc([N+](=O)[O-])ccc34)c12 ZINC000587644135 KK Annotated Bother O=[N+]([O-])c1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)c(-c3ccc(Br)cc3)[nH]c2c1 ZINC000587644204 KK Annotated Bother O=C(c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644284 KK Annotated Bother O=[N+]([O-])c1cccc2[nH]c(-c3ccc(Br)cc3)c(CN3CCN(c4cccc(Cl)c4)CC3)c12 ZINC000587644325 KK Annotated Bother Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587644468 KK Annotated Bother CC(C)(C)OC(=O)N1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000587644493 KK Annotated Bother O=C(c1ccc(Br)cc1)c1c(-c2ccc(Br)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644494 KK Annotated Bother Cc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587644579 KK Annotated Bother O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000587644589 KK Annotated Bother O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cccc([N+](=O)[O-])c34)cc2)cc1 ZINC000587644680 KK Annotated Unstable Cc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2Oc2c(C(=O)c3ccc(Cl)c(C)c3Cl)c(C)nn2C)cc1 ZINC000587644741 KK Annotated Bother O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587644816 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(-c3[nH]c4cccc([N+](=O)[O-])c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587644840 KK Annotated Unstable O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc([N+](=O)[O-])ccc34)cc2)cc1 ZINC000587644854 KK Annotated Unstable CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587644931 KK Annotated Reactive O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587644976 KK Annotated Mild Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587644984 KK Annotated Bother CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587644999 KK Annotated Reactive O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645006 KK Annotated Mild Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645171 KK Annotated Mild O=C(OCc1cc(Cl)cc(Cl)c1)N1CCN(Cc2c(-c3ccc4nc(O)oc4c3)[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000587645214 KK Annotated Bother O=C(c1c(C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645247 KK Annotated Mild CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645266 KK Annotated Mild CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645357 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645358 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645359 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645360 KK Annotated Bother O=C(CC(=O)C(F)(F)F)c1ccc(-c2ccc(S(=O)(=O)Cl)cc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cc([N+](=O)[O-])ccc34)cc2)cc1 ZINC000587645368 KK Annotated Unstable CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587645388 KK Annotated Mild O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4cccc([N+](=O)[O-])c4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587645393 KK Annotated Unstable Cc1[nH]c2cccc([N+](=O)[O-])c2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645412 KK Annotated Mild O=C(c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2cccc([N+](=O)[O-])c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587645428 KK Annotated Mild O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587645453 KK Annotated Bother CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645457 KK Annotated Bother CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645460 KK Annotated Bother CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645499 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645500 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645501 KK Annotated Bother CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587645503 KK Annotated Bother O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(C(=O)c3c(C(F)(F)F)[nH]c4cccc([N+](=O)[O-])c34)cc2)cc1 ZINC000587645520 KK Annotated Unstable CCOC(=O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587645526 KK Annotated Bother CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587645529 KK Annotated Bother CCOC(=O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587645530 KK Annotated Bother CCOC(=O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587645531 KK Annotated Bother CCOC(=O)CCc1[nH]c2cccc([N+](=O)[O-])c2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587645532 KK Annotated Bother CCOC(=O)Cc1[nH]c2cccc([N+](=O)[O-])c2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587645536 KK Annotated Bother COc1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587645588 KK Annotated Bother O=C(CC(=O)C(F)(F)F)c1ccc(-c2cc(S(=O)(=O)Cl)ccc2-c2ccc(-c3[nH]c4cc([N+](=O)[O-])ccc4c3C(=O)C(F)(F)F)cc2)cc1 ZINC000587645599 KK Annotated Unstable O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 ZINC000587645870 KK Annotated Bother COc1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587645907 KK Annotated Bother CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646020 KK Annotated Bother CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646022 KK Annotated Bother CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2cc([N+](=O)[O-])ccc12 ZINC000587646141 KK Annotated Bother CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2cccc([N+](=O)[O-])c12 ZINC000587646165 KK Annotated Bother CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587646220 KK Annotated Bother CCOC(=O)Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587646221 KK Annotated Bother O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cc([N+](=O)[O-])ccc23)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587646233 KK Annotated Bother O=C1[C@H](Cc2c(-c3ccc(F)cc3)[nH]c3cccc([N+](=O)[O-])c23)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1 ZINC000587646299 KK Annotated Bother Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cccc([N+](=O)[O-])c23)cc1 ZINC000587646886 KK Annotated Bother Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3cc([N+](=O)[O-])ccc23)cc1 ZINC000587647020 KK Annotated Bother Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 ZINC000587647316 KK Annotated Bother Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cc([N+](=O)[O-])ccc23)c2ccccc21 ZINC000587647321 KK Annotated Bother Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 ZINC000587647641 KK Annotated Bother Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3cccc([N+](=O)[O-])c23)c2ccccc21 ZINC000587647642 KK Annotated Bother Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4cc([N+](=O)[O-])ccc34)c2cc1C ZINC000587647709 KK Annotated Bother Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4cccc([N+](=O)[O-])c34)c2cc1C ZINC000587647938 KK Annotated Bother CC(C)(C(=O)O)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587648316 KK Annotated Bother CC(C)(C)c1ccc(-c2[nH]c3cccc([N+](=O)[O-])c3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587648437 KK Annotated Bother CC(C)(C)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587648451 KK Annotated Bother Cc1noc2nc(C3CC3)cc(C(=O)Oc3c(-c4ccc(Br)cc4)[nH]c4ccc(S(C)(=O)=O)cc34)c12 ZINC000587648540 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@]1(O)[C@]2(Cl)[C@@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@]3(Cl)[C@]1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587648548 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C1(O)[C@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@@]5(Cl)[C@](Cl)([C@@]1(Cl)[C@@]35Cl)[C@]24Cl ZINC000587648549 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@]1(O)C2(Cl)[C@@]3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)[C@@]3(Cl)C1(Cl)[C@@]5(Cl)[C@]42Cl ZINC000587648552 KK Annotated Anodyne CCOC(=O)CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@]1(O)[C@@]2(Cl)[C@@]3(Cl)[C@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@@]5(Cl)[C@@]42Cl ZINC000587648555 KK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587648624 KK Annotated Unstable CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c(C(=O)C(F)(F)F)c2c1 ZINC000587648661 KK Annotated Unstable COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1F ZINC000587648708 KK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4ccc(S(=O)(=O)Cl)cc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587648939 KK Annotated Unstable Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587648986 KK Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3ccc(-c4cc(S(=O)(=O)Cl)ccc4-c4ccc(C(=O)CC(=O)C(F)(F)F)cc4)cc3)c2c1 ZINC000587649252 KK Annotated Unstable CC(C)(C(=O)O)c1ccc(-c2[nH]c3cc([N+](=O)[O-])ccc3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587649334 KK Annotated Bother CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)F)c2c1 ZINC000587649346 KK Annotated Mild CS(=O)(=O)c1ccc2[nH]c(-c3ccc4nc(O)oc4c3)c(CN3CCN(C(=O)OCc4cc(Cl)cc(Cl)c4)CC3)c2c1 ZINC000587649643 KK Annotated Anodyne Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)OCc1ccc(C(=O)Oc2c(-c3ccccc3)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 ZINC000587649740 KK Annotated Anodyne CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587649998 KK Annotated Reactive CCOC(=O)Cc1c(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650055 KK Annotated Anodyne CCOC(=O)Cc1c(CC2(O)[C@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@](Cl)([C@@]2(Cl)[C@@]46Cl)[C@]35Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650057 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650059 KK Annotated Anodyne CCOC(=O)Cc1c(C[C@]2(O)[C@@]3(Cl)[C@@]4(Cl)[C@]5(Cl)C(Cl)(Cl)[C@]6(Cl)[C@@]4(Cl)[C@@]2(Cl)[C@@]6(Cl)[C@@]53Cl)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650064 KK Annotated Anodyne Cc1nn(C)c(Oc2c(-c3ccccc3)[nH]c3ccc(S(C)(=O)=O)cc23)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587650192 KK Annotated Anodyne CCCCCCc1c(-c2sc3c(Br)sc(Br)c3c2F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650276 KK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587650346 KK Annotated Mild CC(=O)c1c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650347 KK Annotated Mild CS(=O)(=O)c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587650376 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650380 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650381 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650382 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCc1c(C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650383 KK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c1 ZINC000587650446 KK Annotated Mild CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(O)cc3)c2c1 ZINC000587650537 KK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(CCN3CC=C(n4c(O)nc5ccccc54)CC3)c2c1 ZINC000587650580 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(-c3c(-c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)[nH]c4ccc(S(C)(=O)=O)cc34)c2cc1C ZINC000587650673 KK Annotated Anodyne CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C[C@H]3C(=O)N(c4ccc(F)cc4)[C@@H]3c3ccc(OCc4ccccc4)cc3)c2c1 ZINC000587650802 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587650828 KK Annotated Anodyne CCOC(=O)Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000587650829 KK Annotated Anodyne CCOC(=O)c1c(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650843 KK Annotated Anodyne CCOC(=O)c1c(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 ZINC000587650844 KK Annotated Anodyne Cn1cc([C@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3ccc(S(C)(=O)=O)cc23)c2ccccc21 ZINC000587650892 KK Annotated Anodyne Cn1cc([C@@H](C(=O)O)c2c(-c3ccc(C4CCCCC4)cc3)[nH]c3ccc(S(C)(=O)=O)cc23)c2ccccc21 ZINC000587650894 KK Annotated Anodyne COc1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2OC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 ZINC000587650933 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651063 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651064 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651065 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651066 KK Annotated Anodyne O=C(COc1ccccc1C(=O)n1ncc2ccc(Cl)cc2c1=O)Nc1ccc(SC(F)F)cc1 ZINC000587651164 KK Annotated Anodyne CC(C)(C(=O)O)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587651336 KK Annotated Anodyne Cc1cc(Br)c(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc2)c(Br)c1 ZINC000587651338 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1C ZINC000587651407 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1C ZINC000587651409 KK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1C ZINC000587651411 KK Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1C ZINC000587651412 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651652 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651653 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651655 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1ncc2ccc(Cl)cc2c1=O ZINC000587651657 KK Annotated Anodyne CC(C)(C)c1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2CCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000587651784 KK Annotated Anodyne O=C(Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O ZINC000587651800 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c2nc(C3CC3)cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)c12 ZINC000587651932 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1 ZINC000587651948 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1 ZINC000587651950 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1 ZINC000587651951 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4ncc5ccc(Cl)cc5c4=O)cc3N2)cc1 ZINC000587651952 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)n1-c1ccccc1 ZINC000587651979 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)n1-c1ccccc1 ZINC000587651980 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652958 KK Annotated Anodyne O=C(c1ccc(COc2c(Cl)cccc2Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652959 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587652977 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2c1cnn2Cc1ccc(Cl)cc1 ZINC000587652980 KK Annotated Anodyne Cc1cc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C(C)C)cc1Br ZINC000587653009 KK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2Cl)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653012 KK Annotated Anodyne O=C(COc1ccc(Br)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653059 KK Annotated Anodyne O=C(c1cc(Br)c(Br)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653117 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587653140 KK Annotated Anodyne O=C(c1cc(-c2ccc(Br)cc2)on1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653178 KK Annotated Anodyne O=C(COc1ccc2ccccc2c1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653206 KK Annotated Anodyne Cc1nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)cc1Br ZINC000587653339 KK Annotated Anodyne Cc1cc(Br)cc(Br)c1OCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653342 KK Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc(C)c1Cl ZINC000587653345 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Br)cc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653384 KK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653387 KK Annotated Anodyne CC(C)c1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587653406 KK Annotated Anodyne O=C(CCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)Nc1ccc(Cl)cc1Cl ZINC000587653415 KK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2cc(Br)ccc2n1 ZINC000587653455 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)ccc1Cl ZINC000587653566 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653754 KK Annotated Anodyne O=C(c1ccc(Cn2cc(Br)cn2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653764 KK Annotated Anodyne CC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(Br)c1 ZINC000587653770 KK Annotated Anodyne O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653801 KK Annotated Anodyne O=C(CSc1nnc(SCc2cccc3ccccc23)s1)n1ncc2ccc(Cl)cc2c1=O ZINC000587653818 KK Annotated Anodyne O=C(c1cccc(Cn2cc(Br)cn2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653821 KK Annotated Anodyne O=C(c1cc(-c2ccc(Br)cc2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587653839 KK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc(C)c(Br)c1C ZINC000587653866 KK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)n1nc(C)c(Br)c1C ZINC000587653870 KK Annotated Anodyne Cc1ccc(Cl)c(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c1 ZINC000587653930 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654067 KK Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654153 KK Annotated Anodyne C[C@H](Oc1ccc(Br)cc1Cl)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654155 KK Annotated Anodyne O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654163 KK Annotated Bother Cc1ccc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2-c2ccc(C)cc2)cc1 ZINC000587654170 KK Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c(C)c1Cl ZINC000587654195 KK Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)ccc1Cl ZINC000587654198 KK Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c(C)c1Br ZINC000587654206 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)cc(C)c1Cl ZINC000587654232 KK Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)c(C)c1Br ZINC000587654276 KK Annotated Anodyne O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654287 KK Annotated Anodyne O=C(c1cccc(COc2ccccc2Br)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654360 KK Annotated Anodyne Cc1ccc(Cl)c(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587654541 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654557 KK Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587654562 KK Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cnn1-c1ccc(Br)cc1 ZINC000587654579 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2-c2ccccc2)cc1 ZINC000587654585 KK Annotated Anodyne O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654586 KK Annotated Anodyne O=C(c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654594 KK Annotated Anodyne O=C(COc1ccc(Br)cc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654601 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654604 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000587654605 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Br)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654606 KK Annotated Anodyne Cc1cc(Cl)ccc1OCn1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587654621 KK Annotated Anodyne O=C(c1cc(-c2cccc(Br)c2)[nH]n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654657 KK Annotated Anodyne Cc1cccc(Cl)c1OCc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 ZINC000587654679 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC000587654710 KK Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1OC ZINC000587654749 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587654771 KK Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)c(C)c1Cl ZINC000587654772 KK Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587654848 KK Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587654849 KK Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587654850 KK Annotated Anodyne CCn1c(SCC(=O)n2ncc3ccc(Cl)cc3c2=O)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587654851 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655134 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3ncc4ccc(Cl)cc4c3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587655154 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)n1ncc2ccc(Cl)cc2c1=O ZINC000587655283 KK Annotated Anodyne O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655331 KK Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587655335 KK Annotated Anodyne Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2n1 ZINC000587655337 KK Annotated Anodyne O=C(c1ccc(COCC(F)(F)C(F)F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655338 KK Annotated Anodyne O=C(CSc1ncc(C(F)(F)F)cc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655344 KK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000587655361 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587655370 KK Annotated Mild C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587655382 KK Annotated Mild C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587655383 KK Annotated Mild C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587655384 KK Annotated Mild C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2N1 ZINC000587655385 KK Annotated Mild COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587655387 KK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587655388 KK Annotated Anodyne COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1 ZINC000587655391 KK Annotated Anodyne O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655398 KK Annotated Anodyne Cc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)s1 ZINC000587655407 KK Annotated Anodyne Cc1onc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587655410 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655434 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655435 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655436 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655437 KK Annotated Anodyne Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)n1 ZINC000587655466 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587655484 KK Annotated Anodyne COc1ccccc1-c1cc(C(F)(F)F)nc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 ZINC000587655487 KK Annotated Anodyne O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655495 KK Annotated Anodyne O=C(Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655506 KK Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655507 KK Annotated Anodyne CCn1cc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c(C)n1 ZINC000587655519 KK Annotated Anodyne O=C(c1cccc(COCC(F)(F)C(F)F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655530 KK Annotated Anodyne O=C(c1cccnc1SCCC(F)=C(F)F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655538 KK Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1C ZINC000587655539 KK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1C ZINC000587655540 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1C ZINC000587655541 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1C ZINC000587655542 KK Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655556 KK Annotated Anodyne O=C(c1ccn(COc2ccc(F)c(Cl)c2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655564 KK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587655582 KK Annotated Anodyne O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655587 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1-c1ccccc1 ZINC000587655588 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1-c1ccccc1 ZINC000587655592 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655599 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655600 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655602 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655603 KK Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c3ccccc3n2)cc1OC ZINC000587655638 KK Annotated Anodyne O=C(c1ccc(-c2ccc3c(c2)OCCCO3)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655656 KK Annotated Anodyne O=C(c1ccc(COc2cccc3cccnc23)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655684 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587655695 KK Annotated Anodyne O=C(c1ccc(COc2ccc(I)cc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655698 KK Annotated Anodyne Cc1ccc(OCc2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c([N+](=O)[O-])c1 ZINC000587655730 KK Annotated Bother O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655738 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655739 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655740 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655741 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1 ZINC000587655746 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1 ZINC000587655748 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1 ZINC000587655751 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc3N2)cc1 ZINC000587655752 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccccc1OC(F)F ZINC000587655774 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587655783 KK Annotated Anodyne O=C(c1ccc(COc2ccc(F)cc2Cl)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655784 KK Annotated Anodyne O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655805 KK Annotated Anodyne O=C(COc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)Nc1ccccc1F ZINC000587655818 KK Annotated Anodyne Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587655840 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2Cc2ccccc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655958 KK Annotated Anodyne C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655978 KK Annotated Anodyne C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587655979 KK Annotated Anodyne CC(C)(C)c1cc(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc(C(C)(C)C)c1O ZINC000587655980 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656004 KK Annotated Mild O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656005 KK Annotated Mild O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656006 KK Annotated Mild O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656007 KK Annotated Mild O=C(COc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)Nc1ccc(SC(F)F)cc1 ZINC000587656009 KK Annotated Anodyne CCn1ncc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)c1C ZINC000587656012 KK Annotated Anodyne COc1c(I)cc(Br)cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656020 KK Annotated Anodyne O=C(c1ccc(COc2ccc(F)c(Cl)c2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656036 KK Annotated Anodyne Cc1cc(-c2ccc(Cl)cc2)nc2nc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nn12 ZINC000587656081 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587656082 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Br)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656088 KK Annotated Anodyne O=C(COc1c(I)cc(Cl)c2cccnc12)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656089 KK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3s2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656090 KK Annotated Anodyne C[C@@H](Oc1ccc(Br)cc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656110 KK Annotated Anodyne O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656112 KK Annotated Anodyne C[C@H](Oc1ccc(Br)cc1Cl)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656113 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656119 KK Annotated Anodyne O=C(n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587656124 KK Annotated Anodyne O=C(c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656133 KK Annotated Bother COc1ccc(-n2nc(C)c3c(C(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)cc(C4CC4)nc32)cc1 ZINC000587656139 KK Annotated Anodyne Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2n1 ZINC000587656142 KK Annotated Anodyne O=C(CSc1nnc(SCc2cccc3ccccc23)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656148 KK Annotated Anodyne O=C([C@H]1Cc2ccccc2CN1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656149 KK Annotated Anodyne O=C([C@@H]1Cc2ccccc2CN1Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656150 KK Annotated Anodyne Cc1cc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C(C)C)cc1Br ZINC000587656151 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656168 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(-c3cnn(C)c3C)nc21 ZINC000587656204 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Br)cc2Cl)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656224 KK Annotated Anodyne Cc1nn(Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)c(C)c1Br ZINC000587656261 KK Annotated Anodyne O=C(COc1ccc2cc(Br)ccc2c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656269 KK Annotated Anodyne Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587656274 KK Annotated Anodyne O=C(c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656286 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)cc(C)c1Cl ZINC000587656298 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2[N+](=O)[O-])o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656309 KK Annotated Bother Cc1ccc(-n2nc(C(F)(F)F)cc2OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587656316 KK Annotated Anodyne O=C(c1cc(F)c(Cl)cc1F)N1CCC(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)CC1 ZINC000587656320 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1OC ZINC000587656338 KK Annotated Anodyne O=C(c1ccccc1COc1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656360 KK Annotated Anodyne O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656362 KK Annotated Anodyne CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656371 KK Annotated Anodyne Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587656382 KK Annotated Anodyne Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587656399 KK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587656415 KK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)o1 ZINC000587656440 KK Annotated Anodyne O=C(c1cccc(COc2cccc(Br)c2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656534 KK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656546 KK Annotated Anodyne C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656549 KK Annotated Anodyne COc1cccc(-n2c(CC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)csc2=NCc2ccco2)c1 ZINC000587656589 KK Annotated Anodyne O=C(c1cccc(COc2cccc3ccccc23)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656590 KK Annotated Anodyne O=C(c1cccc(COc2cccc(Cl)c2Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656665 KK Annotated Anodyne Cc1cc(OCn2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc(C)c1Cl ZINC000587656699 KK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2c(C)nn(-c3ccccc3)c2n1 ZINC000587656717 KK Annotated Anodyne CCn1ncc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c3ccccc3n2)c1C ZINC000587656720 KK Annotated Anodyne CCn1cc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c3ccccc3n2)cn1 ZINC000587656781 KK Annotated Anodyne O=C(c1ccc(COc2ccc3ccccc3c2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656811 KK Annotated Anodyne O=C(c1ccc(COc2ccc3c(c2)CCC3)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587656830 KK Annotated Anodyne Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)n4nc(-c5ccccc5)c5cc(F)c(F)cc5c4=O)(C3)C1)C2 ZINC000587656838 KK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656857 KK Annotated Anodyne Cc1ccc(CSc2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)s2)cc1 ZINC000587656912 KK Annotated Anodyne O=C(c1ccn(COc2c(Cl)cccc2Cl)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656918 KK Annotated Anodyne O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656923 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2Br)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656928 KK Annotated Anodyne Cc1c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cnn1-c1ccc(Br)cc1 ZINC000587656952 KK Annotated Anodyne O=C(c1ccn(COc2ccc(Cl)cc2Cl)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587656960 KK Annotated Anodyne CC(C)(C)c1ccc(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587656970 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)ccc1[N+](=O)[O-] ZINC000587656974 KK Annotated Bother COc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1COc1ccccc1Cl ZINC000587656993 KK Annotated Anodyne O=C(c1ccc(COc2cccc([N+](=O)[O-])c2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657001 KK Annotated Bother O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657004 KK Annotated Bother O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657051 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c3c(C)nn(C)c3n2)c1 ZINC000587657052 KK Annotated Anodyne O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657058 KK Annotated Anodyne O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657112 KK Annotated Bother CC(C)(C)CC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587657114 KK Annotated Anodyne O=C(c1ccc(COc2ccc3ccccc3c2)o1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657158 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587657193 KK Annotated Anodyne O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657204 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)cc(C)c1Cl ZINC000587657206 KK Annotated Anodyne O=C(c1ccc(COc2cccc(Cl)c2Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657221 KK Annotated Anodyne O=C(COc1ccc(Br)cc1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657230 KK Annotated Anodyne O=C(c1ccn(COc2cccc(Cl)c2Cl)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657231 KK Annotated Anodyne O=C(c1ccc(COc2c(Cl)cccc2Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657235 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657240 KK Annotated Anodyne Cc1nn(Cc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c(C)c1Br ZINC000587657259 KK Annotated Anodyne COc1cc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c3ccccc3n2)cc(OC)c1OC ZINC000587657337 KK Annotated Anodyne Cc1ccc(C(C)C)c(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c1 ZINC000587657342 KK Annotated Anodyne CCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc(-c3ccc(C)cc3)nc21 ZINC000587657349 KK Annotated Anodyne O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657389 KK Annotated Anodyne O=C(c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657394 KK Annotated Bother CC(C)c1ccc(OCn2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587657406 KK Annotated Anodyne Cc1ccc(OCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(-n2nc3ccccc3n2)c1 ZINC000587657415 KK Annotated Anodyne Cc1ccc(Nc2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)s2)cc1 ZINC000587657438 KK Annotated Anodyne Cc1ccc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)c([N+](=O)[O-])c1 ZINC000587657450 KK Annotated Bother O=C(CSc1nnc(SCc2ccccc2Cl)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657457 KK Annotated Anodyne O=C(c1ccn(COc2ccc(-c3ccccc3)cc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657463 KK Annotated Anodyne O=C(c1sc2cc(Br)ccc2c1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657473 KK Annotated Anodyne CC(C)(C)c1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(Br)c1 ZINC000587657497 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587657513 KK Annotated Anodyne Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587657522 KK Annotated Anodyne O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657532 KK Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c3c(C)nn(C)c3n2)cc1 ZINC000587657545 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)o2)ccc1[N+](=O)[O-] ZINC000587657555 KK Annotated Bother O=C(c1cccc(COc2ccccc2Br)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657574 KK Annotated Anodyne O=C(c1ccc(COc2ccc(Br)cc2Cl)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657594 KK Annotated Anodyne O=C(c1ccc(-c2ccc(Br)cc2)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657606 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657624 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2ccc(C)cc2)cc1 ZINC000587657638 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccc(OC)cc1 ZINC000587657674 KK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2cccnc2)cc1 ZINC000587657675 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657681 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccccc2)cc1 ZINC000587657683 KK Annotated Anodyne COc1ccc(-c2ccnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2)cc1 ZINC000587657684 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccc(C)cc2)cc1 ZINC000587657691 KK Annotated Anodyne Cc1noc2nc(-c3cccs3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587657699 KK Annotated Anodyne O=C(COc1ccc2ccccc2c1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657736 KK Annotated Anodyne Cc1cc(Br)cc(Br)c1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657747 KK Annotated Anodyne Cc1cc(Br)c(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)c(Br)c1 ZINC000587657787 KK Annotated Anodyne CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657828 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657835 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657836 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657837 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657838 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657850 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657851 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657852 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657853 KK Annotated Anodyne O=C(c1ccn(COc2cccc(C(F)(F)F)c2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587657888 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1-c1ccccc1 ZINC000587657891 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1-c1ccccc1 ZINC000587657892 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2ccccc2)cc1 ZINC000587657896 KK Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657924 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587657957 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587657975 KK Annotated Anodyne COc1cc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccccc2)cc(OC)c1OC ZINC000587657982 KK Annotated Anodyne Cn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccc(Br)cc1 ZINC000587658058 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000587658072 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2)cc1OC ZINC000587658089 KK Annotated Anodyne O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658090 KK Annotated Anodyne Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)o2)n1 ZINC000587658154 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccccc1OC(F)F ZINC000587658166 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000587658169 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)ccc1N ZINC000587658171 KK Annotated Anodyne CC(C)(C)c1cc(CCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc(C(C)(C)C)c1O ZINC000587658176 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587658179 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587658185 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587658187 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587658188 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2ccncc2)cc1 ZINC000587658208 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c12 ZINC000587658213 KK Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658222 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000587658223 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000587658224 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccccc2)cc1 ZINC000587658231 KK Annotated Anodyne O=C(c1scc(Br)c1Br)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658232 KK Annotated Anodyne O=C(c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658245 KK Annotated Anodyne O=C(Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658301 KK Annotated Anodyne O=C(COc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccccc1F ZINC000587658318 KK Annotated Anodyne O=C(COc1c(I)cc(Cl)c2cccnc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658346 KK Annotated Anodyne O=C(COc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)Nc1ccc(SC(F)F)cc1 ZINC000587658356 KK Annotated Anodyne Cc1ccc(-n2nc(C(F)(F)F)cc2OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587658367 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658371 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658372 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658373 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658374 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC000587658388 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)n2-c2ccc(C)cc2)cc1 ZINC000587658392 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000587658393 KK Annotated Bother O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000587658411 KK Annotated Bother CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658440 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587658455 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587658471 KK Annotated Bother O=C(c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658506 KK Annotated Anodyne O=C(c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658530 KK Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658535 KK Annotated Anodyne O=C(c1ccc(COc2cccc(C(F)(F)F)c2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658539 KK Annotated Anodyne Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587658597 KK Annotated Anodyne Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2c(C)nn(-c3ccc(F)cc3)c2n1 ZINC000587658611 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1 ZINC000587658659 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1 ZINC000587658660 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1 ZINC000587658661 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1 ZINC000587658662 KK Annotated Anodyne O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658663 KK Annotated Anodyne C[C@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658676 KK Annotated Anodyne C[C@@H](Oc1ccc(C(C)(C)c2ccccc2)cc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658677 KK Annotated Anodyne O=C(c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658753 KK Annotated Anodyne CCc1cccc(CC)c1-n1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccc(OC)cc1 ZINC000587658773 KK Annotated Anodyne CC(C)(C)c1ccc(-c2sc(N)nc2C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587658783 KK Annotated Anodyne O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658785 KK Annotated Anodyne O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587658793 KK Annotated Bother Cc1ccc(NS(=O)(=O)c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000587658809 KK Annotated Bother COc1ccccc1NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c([N+](=O)[O-])c1 ZINC000587658810 KK Annotated Bother CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccccc1 ZINC000587658818 KK Annotated Anodyne O=C(c1[nH]c(-c2ccccc2)cc1-c1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658821 KK Annotated Anodyne Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1C ZINC000587658838 KK Annotated Anodyne Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1C ZINC000587658842 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1C ZINC000587658844 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc3N2)cc1C ZINC000587658848 KK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 ZINC000587658853 KK Annotated Bother O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658890 KK Annotated Anodyne O=C(c1ccc(COc2c(F)c(F)cc(F)c2F)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658917 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587658918 KK Annotated Anodyne O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658920 KK Annotated Anodyne CC(C)c1ccc(S(=O)(=O)c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)cc2)cc1 ZINC000587658924 KK Annotated Anodyne COc1c(I)cc(Br)cc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658925 KK Annotated Anodyne O=C(CCCc1ccc2ccc3cccc4ccc1c2c34)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658954 KK Annotated Bother O=C(c1cc(Br)c(Br)s1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587658958 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c([N+](=O)[O-])c2)cc1 ZINC000587658970 KK Annotated Bother C[C@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658972 KK Annotated Anodyne C[C@@H]1C[C@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658974 KK Annotated Anodyne C[C@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658975 KK Annotated Anodyne C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2N1 ZINC000587658976 KK Annotated Anodyne O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587658978 KK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cccc(C(=O)n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)c2)c(C)c1 ZINC000587658987 KK Annotated Anodyne O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659004 KK Annotated Anodyne O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587659102 KK Annotated Anodyne O=C(c1cc(F)c(Cl)cc1F)N1CCC(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CC1 ZINC000587659125 KK Annotated Anodyne Cc1onc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587659145 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659152 KK Annotated Mild O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659159 KK Annotated Mild O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659162 KK Annotated Mild O=C1c2cccc3cccc(c23)N1Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 ZINC000587659163 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659164 KK Annotated Mild O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659173 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nnc1-c1ccc(Cl)cc1 ZINC000587659199 KK Annotated Anodyne O=C(CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659204 KK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O ZINC000587659215 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587659237 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587659251 KK Annotated Anodyne Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(CC(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)(C3)C1)C2 ZINC000587659711 KK Annotated Anodyne O=C(c1ccc(COc2cccc3cccnc23)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587659905 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cccnc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587659955 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c4cc(C)cc(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587659957 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587659962 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(CC)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587659967 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c3oc3ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587659971 KK Annotated Anodyne CCn1nc(C)c2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(-c3ccc(C)cc3)nc21 ZINC000587659981 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4c(C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587659997 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587659999 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(OC)cccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660003 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660005 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660016 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587660023 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C)c4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660026 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587660038 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OCC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660043 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660044 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660047 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(O)cc(C(C)C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660053 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncc(NC(C)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660056 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587660068 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C(=O)OCC)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660070 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587660075 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)CCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587660077 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660078 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc([C@H](C)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660081 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4ccccc4cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587660095 KK Annotated Anodyne O=C(c1ccn(COc2ccc(-c3ccccc3)cc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660097 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4onc(C5CC5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587660098 KK Annotated Anodyne CCCCOc1ccc(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)cc1 ZINC000587660109 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cccc(OC)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660112 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587660115 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(N(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660119 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(N(CC)CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660124 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(CC)CC)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660131 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCO[C@@H]3C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660134 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(C)C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660136 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660139 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3COc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587660142 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3COc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587660144 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c3c(C)nn(C)c3n2)c1 ZINC000587660148 KK Annotated Anodyne Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587660152 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587660153 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C(C)C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660174 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OCC)c(OCC)c(OCC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660179 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587660181 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc4c(C(C)C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660188 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cccc(OC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660195 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(F)cc4F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660199 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660204 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660206 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc4c(C)ccc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587660207 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660209 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)OCCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587660210 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncn3-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660211 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3nc(-c4ccccc4C)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587660213 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N(CC)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660217 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660218 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nnn(-c4ccc(F)cc4)c3-n3cccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660223 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(NC(C)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660224 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660226 KK Annotated Anodyne CCCCNC(=O)c1cccc(OCC(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)c1 ZINC000587660227 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660229 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660248 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nn3C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660254 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(F)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660257 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587660261 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660265 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660267 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3c(C)noc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660272 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4ccc(F)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660274 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(F)c3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587660275 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660277 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(F)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587660278 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(Cn4nc(C(F)F)cc4C(F)F)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587660282 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660283 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660284 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660285 KK Annotated Anodyne CCCCOc1ccc(C(=O)NCC(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)cc1 ZINC000587660286 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660287 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660288 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(I)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660291 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3c(C)cc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660293 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660294 KK Annotated Anodyne O=C(c1cc(Br)c(Br)s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660299 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660304 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587660305 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587660306 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587660307 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587660308 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660309 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660310 KK Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660311 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(OCC)c(OCC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660313 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3nnc(-c4ccc(C)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660315 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660316 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660323 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587660326 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(F)c(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587660327 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587660328 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)ccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660329 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660330 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cc(F)ccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587660332 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587660333 KK Annotated Anodyne C=CCCCCCCCCC(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587660334 KK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660335 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660342 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660344 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587660345 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587660346 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660348 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660350 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587660353 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587660355 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNC(=O)c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660357 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1N ZINC000587660363 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3c(F)cccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587660365 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660367 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660369 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3c(F)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587660370 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(OC(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660372 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(OC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660380 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)/C(=C/c3ccccc3)NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587660382 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)/C(=C\c3ccccc3)NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587660384 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660385 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](C)C[C@@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660392 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](C)C[C@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660393 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660394 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](C)C[C@H]4C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660395 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587660396 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)cc3I)c(=O)c3ccccc23)c(O)c1 ZINC000587660397 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587660399 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660402 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660403 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cnn(CC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660404 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)F)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660407 KK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3[nH]2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660436 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C(C)(C)C)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660440 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2ccncc2)cc1 ZINC000587660441 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660442 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587660443 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4nccnc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660445 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccncc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587660456 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC(C)C)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660460 KK Annotated Anodyne O=C(c1sc2cc(Br)ccc2c1Cl)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660465 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(C)cccc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660467 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cc4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660471 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660472 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660480 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccccn4)nc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660483 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)C4CCCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660484 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4cnco4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660485 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660486 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660487 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587660492 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660499 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660501 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](N)Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660505 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587660512 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)OC(C)(C)c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660513 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660518 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660521 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587660526 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660528 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587660534 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660538 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OCC)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660544 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587660553 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660555 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660558 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660559 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660562 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660565 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)OCC3c4ccccc4-c4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587660577 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc5cccnc45)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660583 KK Annotated Anodyne O=C(c1cccc(COc2cccc3ccccc23)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660586 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc5ccccc45)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660588 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCCOc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660590 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(=O)OC(C)(C)C)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660598 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc(-c4ccccc4O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660599 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660606 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660610 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)C4CC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660613 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(CC)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660616 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@](C)(Cc3ccc(O)c(OC)c3)C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587660621 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@@](C)(Cc3ccc(O)c(OC)c3)C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587660623 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660625 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660635 KK Annotated Anodyne CCCCOc1ccc(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)cc1OC ZINC000587660640 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660643 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3oc4ccccc4c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660656 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660658 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660660 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660661 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4ccc(C)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587660666 KK Annotated Anodyne O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587660669 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660673 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OCC(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660676 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(CC)nc(-c4ccccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660678 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(-c4ccccc4)noc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587660683 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3Cc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587660685 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3Cc4ccccc4O3)c(=O)c3ccccc23)c(O)c1 ZINC000587660686 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4nc(CCOC)no4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587660689 KK Annotated Anodyne Cc1cc(OCc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)ccc1[N+](=O)[O-] ZINC000587660693 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cc5ccccc5o4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660701 KK Annotated Anodyne Cc1cc(OCc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)ccc1[N+](=O)[O-] ZINC000587660714 KK Annotated Bother Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587660785 KK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2cccnc2)cc1 ZINC000587660814 KK Annotated Anodyne Cn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccc(Br)cc1 ZINC000587660841 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccc(C)cc2)cc1 ZINC000587660844 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000587660927 KK Annotated Bother Cc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccccc2)cc1 ZINC000587660928 KK Annotated Anodyne Cc1ccc(CSc2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)s2)cc1 ZINC000587660930 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2)cc1 ZINC000587660935 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(OC)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660937 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccnc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660938 KK Annotated Anodyne C=CCOc1ccc(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)cc1 ZINC000587660939 KK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660941 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)CC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660942 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660944 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660945 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660946 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660947 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587660948 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)c(Cc4ccccc4)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587660954 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587660957 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660958 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660960 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc(-c3cnn(C)c3C)nc21 ZINC000587660962 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660965 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C(C)C)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660966 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5ccccc5c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660974 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587660984 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587660987 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCCC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660992 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(CCO)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587660993 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587660999 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc4ccc(C)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661001 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccn4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661003 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(C)c(OCC)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661004 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5c(c4)CCC5)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661005 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(=O)OC)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661008 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)cc(C4CC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661014 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4ccccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661026 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661027 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661029 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661031 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661033 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(N(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661034 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661038 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)OC(C)(C)C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661040 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4c(=O)[nH]ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661047 KK Annotated Anodyne Cc1ccc(OCc2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c([N+](=O)[O-])c1 ZINC000587661048 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cccnc4)nc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661054 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587661055 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NOCc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661059 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cc(C)ccc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661060 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661063 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661065 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC)c(OCC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661066 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(NC(=O)C(C)(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661067 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661071 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC4CCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661072 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661075 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc4onc(C)c4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661077 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(C)(C)C)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587661079 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661084 KK Annotated Anodyne O=C(n1nc(-c2ccc(F)cc2)c2ccccc2c1=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587661090 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)O)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587661094 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)OCc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661100 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(OCC)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661104 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccco4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661109 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nnc(O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661110 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(CC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661112 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587661119 KK Annotated Anodyne Cc1ccc(NS(=O)(=O)c2cccc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c2)c(C)c1 ZINC000587661176 KK Annotated Anodyne O=C(CSc1nnc(SCc2ccccc2Cl)s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661187 KK Annotated Anodyne CCc1cccc(CC)c1-n1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccc(OC)cc1 ZINC000587661192 KK Annotated Anodyne O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661256 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661276 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccc(C)cc2)cc1 ZINC000587661278 KK Annotated Anodyne O=C(CSc1nnc(SCc2cccc3ccccc23)s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661284 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587661287 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccccc2)cc1 ZINC000587661293 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000587661307 KK Annotated Anodyne COc1cc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccccc2)cc(OC)c1OC ZINC000587661322 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587661339 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2ccccc2)cc1 ZINC000587661371 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(CCC)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661383 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661388 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587661393 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(OC)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661394 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCO[C@@H]3c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661398 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661399 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661402 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c4ccc(C)c(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661405 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661423 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C4CCCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661425 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(OC)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661426 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661433 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCCC)c(=O)c3ccccc23)c(O)c1 ZINC000587661437 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(-c4ccccc4)nc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661440 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661442 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(C)C)cc(C(C)C)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661444 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3[C@@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587661445 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587661449 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3[C@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587661450 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587661451 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661453 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4oc5c(c4c3)CCCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587661456 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661458 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(ccc5ccccc54)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661459 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](N)Cc3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661461 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)cc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661467 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccccc4OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661472 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](Cc3ccc(O)cc3)NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587661474 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3Cc4c(ccc5ccccc45)O3)c(=O)c3ccccc23)c(O)c1 ZINC000587661476 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3Cc4c(ccc5ccccc45)O3)c(=O)c3ccccc23)c(O)c1 ZINC000587661478 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4ncccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661481 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661482 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661487 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OC)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661489 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3-c3nc(C4CC4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587661490 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661491 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661496 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc5ccccc5c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661497 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc5ccccc5c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661500 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(OCC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661510 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661514 KK Annotated Anodyne O=C(c1ccc(COc2ccccc2Cc2ccccc2)o1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661531 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661532 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(CC)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661536 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661540 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661542 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4onc(-c5ccccc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587661556 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccccn4)nc4c3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587661576 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(O)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587661577 KK Annotated Anodyne Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c12 ZINC000587661584 KK Annotated Bother O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661598 KK Annotated Anodyne Cc1ccc(-c2cc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)c3c(C)nn(C)c3n2)cc1 ZINC000587661621 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587661627 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587661628 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587661629 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587661630 KK Annotated Anodyne CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661663 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661664 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661665 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Cl)cnn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587661666 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ncccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587661669 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661673 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661674 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661679 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4ccc(Cl)cc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661681 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587661682 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nc3ccccc3c2=O)cc1 ZINC000587661683 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587661684 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587661685 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587661687 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661690 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587661692 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661695 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3[nH]c4ccc(Br)cc4c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587661697 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661700 KK Annotated Anodyne O=C(c1scc(Br)c1Br)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661701 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661704 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Cl)cc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661706 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4cc(Br)ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661707 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661710 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661711 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587661713 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)n3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661716 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)n3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661717 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Cl)cn4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661718 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3(c4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587661719 KK Annotated Anodyne O=C(c1ccc(CSc2nc3ccccc3s2)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661725 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661726 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661728 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661733 KK Annotated Anodyne O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587661736 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Br)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661737 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661738 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661741 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(Br)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661743 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(Cc4cccc(Cl)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587661747 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(Cc4cccc(Cl)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587661749 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661752 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661754 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(N(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661756 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]c(C)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587661757 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccncc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661762 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661763 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661769 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2ccc(C)cc2)cc1 ZINC000587661771 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661772 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(OC)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661774 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661775 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661777 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661779 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)c(CC)c(O)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661780 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661783 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(Cl)cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587661786 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc4ncccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661787 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cc(N)ccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661788 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661794 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4cc(Cl)ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661795 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)c(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587661796 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587661797 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661799 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ncoc3C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587661800 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3-c3nc(CCC)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587661802 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661805 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587661807 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661808 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4ccccc4c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661809 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661810 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661813 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661815 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc(C)o4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661816 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661817 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661818 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(O)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661819 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc([N+](=O)[O-])cc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661820 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(Cl)c(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661823 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661824 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661825 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661826 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(C(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661828 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(Cl)ccc4nc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661829 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)OC)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661831 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587661832 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Cl)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661833 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(Br)cn4ccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661836 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(N(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661837 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661838 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661839 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587661840 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661841 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661842 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587661845 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661846 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(=O)OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661847 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661849 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661851 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NC34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587661852 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661853 KK Annotated Anodyne CCCCOc1cccc(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)c1 ZINC000587661854 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)c(=O)c3ccccc23)c(O)c1 ZINC000587661855 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661856 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)ccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587661858 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661859 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661860 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(O)c(C(=O)O)cc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661862 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(-c4ccc(Cl)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587661864 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661867 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(OCc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661869 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COCC(F)(F)C(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661870 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661874 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587661877 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(=O)OCCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661878 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661886 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587661887 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Br)c4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661888 KK Annotated Anodyne CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)cc1 ZINC000587661889 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661893 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cccnc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661894 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587661895 KK Annotated Anodyne COc1ccc(-n2nc(C)c3c(C(=O)n4nc(-c5ccc(F)cc5)c5ccccc5c4=O)cc(C4CC4)nc32)cc1 ZINC000587661896 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(C)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587661898 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc(-c4ccccn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661899 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(C)Oc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661902 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661903 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4cc(OC)ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661906 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661907 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)c(OC)c4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661911 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587661912 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)c(O)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661914 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C34CC5CC(CC(C5)C3)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587661917 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(OCC)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661921 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661923 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5c(c4)CCC5)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661924 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661925 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Br)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661926 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661927 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661928 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)CCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661931 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661951 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(C)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661952 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)c4ccccc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661956 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587661958 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661960 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661962 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(=O)OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661964 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)c(C)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587661974 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661975 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nnc(-c4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587661982 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc5c(c4)OCCCO5)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587661984 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccncc4)nc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587661985 KK Annotated Anodyne CCCCCC1CCC(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)CC1 ZINC000587661987 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc4c(C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587661988 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661993 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587661994 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)c(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587661995 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587661996 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(OC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662004 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4nc(-c5ccc(F)cc5)no4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662009 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cnn(CC)c4C)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662010 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(F)cc4)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587662016 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587662017 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662021 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662022 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662023 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662026 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587662029 KK Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)c(F)c(Br)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662032 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662033 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662035 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662037 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662038 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662039 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c4c3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587662040 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662041 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(F)c(F)c(N)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662043 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4F)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662046 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662048 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662051 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc(-c4cccnc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662058 KK Annotated Anodyne O=C(c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662059 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662060 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4F)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662063 KK Annotated Anodyne O=C(c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662065 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662066 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)c(C(F)(F)F)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662068 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662070 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662071 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C(F)(F)F)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587662074 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C(F)(F)F)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587662075 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3cc(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662084 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)F)c(OCC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662085 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587662087 KK Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C(F)(F)F)nn3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662090 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccccc4OC)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662094 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662103 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3I)c(=O)c3ccccc23)c(O)c1 ZINC000587662104 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662105 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662107 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(OC(F)(F)F)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587662109 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662113 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662114 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(F)cc(F)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587662117 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(I)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662118 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662119 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587662122 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)c(F)cc(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662124 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662126 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cn(C)nc4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662127 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccc(Cl)cc1 ZINC000587662130 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cc(F)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662134 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cn(CC)nc4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662136 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662139 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3[C@@H](C)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662141 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3[C@H](C)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662145 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(F)cc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587662146 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(=O)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662149 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(=O)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662153 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662160 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4scc(-c5ccc(F)cc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587662167 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662168 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662174 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc4ncnn34)c(=O)c3ccccc23)c(O)c1 ZINC000587662178 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662181 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662184 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662185 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662188 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccc(Cl)cc2)cc1 ZINC000587662191 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662192 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662193 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccc(O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662196 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662204 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662206 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662209 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)n2-c2ccccc2)cc1 ZINC000587662210 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3noc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662211 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662214 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662215 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662229 KK Annotated Anodyne O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662230 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)nnc2-c2ccc(Cl)cc2)cc1 ZINC000587662233 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(F)cc(F)c3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662236 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)nc(C)c3I)c(=O)c3ccccc23)c(O)c1 ZINC000587662239 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4cc(Cl)cn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662240 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(N)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662241 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587662242 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662243 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662244 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662245 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662246 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(CC)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662247 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4cc(Br)c(C)cc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662251 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587662256 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662258 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662259 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Cl)c4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662261 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662263 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c3c(Br)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587662264 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3ncc(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662267 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662271 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662274 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662276 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4c(C)c(Cl)ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662277 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnn3COc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662284 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Br)nc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662289 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4c(C)c(Br)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662292 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(Cc4ccccc4Cl)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662295 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662296 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662302 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662304 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662305 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(C(F)(F)F)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662310 KK Annotated Anodyne O=C1c2cccc3cccc(c23)N1Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 ZINC000587662313 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662314 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4c(Cl)cc(Cl)cc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662321 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nnc(-c4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662324 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662325 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587662328 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(Cl)c(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662329 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)c(Cl)cc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662336 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662340 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662341 KK Annotated Bother O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662342 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662343 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662344 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662346 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662347 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)cc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662349 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)co3)c(=O)c3ccccc23)c(O)c1 ZINC000587662351 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662354 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)c(Br)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662356 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)c(F)c(C(F)(F)F)c(F)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662358 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587662360 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Br)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662362 KK Annotated Anodyne O=C(c1ccc(-c2ccc(Br)cc2)s1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O ZINC000587662365 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]nc([N+](=O)[O-])c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662366 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662368 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662370 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662372 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587662382 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)c(Cl)c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662384 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662386 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662392 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662393 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662395 KK Annotated Anodyne Cc1ccc(Nc2nnc(SCC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)s2)cc1 ZINC000587662396 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Br)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587662397 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662399 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnn3COc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662401 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4cc(Br)cc(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662403 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Br)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662405 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3c(C)cc(Br)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662406 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662409 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000587662410 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662412 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3cc(OC)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662413 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Br)c(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662414 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c(Cl)c4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662415 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3c(Br)ccc(OC)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587662416 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Br)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662417 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)c(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662418 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4cc(Cl)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662419 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662423 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662424 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3c(Cl)cc(Cl)c4ccc(C)nc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662426 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Br)ccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662427 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662429 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)ccc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662430 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cc(C)ccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662431 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)cc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587662432 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)c(Cl)c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662433 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662451 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662452 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662453 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662454 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3c(F)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662455 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662456 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662457 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662458 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662459 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662460 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662462 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662464 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4c(C(F)(F)F)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662465 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(F)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662466 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662468 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662469 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662470 KK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)c(OC)c1 ZINC000587662471 KK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)c(OC)c1 ZINC000587662472 KK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(F)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662473 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662474 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)n(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662475 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662478 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4OC(F)F)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662479 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc(-c4ccncc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662481 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(Cc4ccc(F)cc4)S(=O)(=O)c4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662482 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(F)cc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662483 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3cccc(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662484 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662485 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc(C)cc(C(F)(F)F)n4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662486 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587662487 KK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662488 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3=C[C@H](CNc4ncc(C(F)(F)F)cc4Cl)ON3)c(=O)c3ccccc23)c(O)c1 ZINC000587662490 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3=C[C@@H](CNc4ncc(C(F)(F)F)cc4Cl)ON3)c(=O)c3ccccc23)c(O)c1 ZINC000587662491 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662492 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(F)cc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662493 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662496 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(F)(F)Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662498 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccc(OC(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662499 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662500 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662502 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cccs4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662503 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662506 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662507 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662508 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587662511 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662512 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(C(=O)c4cc(F)c(Cl)cc4F)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662513 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc(OC(F)F)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662515 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587662516 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(F)c(F)cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587662517 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662518 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(F)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662524 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(C)c(C)c4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662525 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662526 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662527 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662529 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662530 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4cccc(F)c4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587662531 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587662532 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587662533 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(F)(F)F)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662534 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662535 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662536 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662537 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662538 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662539 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662540 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662541 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662542 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662543 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662544 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3c(I)cc(Cl)c4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662545 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662546 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)cn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662547 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Br)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662548 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662549 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662550 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-n4cncn4)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662551 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662552 KK Annotated Anodyne COc1cccc(-n2c(CC(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)csc2=NCc2ccco2)c1 ZINC000587662553 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCSc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662554 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662555 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662556 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)NC(CC)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662557 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662559 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662561 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Cl)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662563 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)c(CO)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662564 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c(Br)c4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662565 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662566 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662567 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662568 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662569 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662570 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)c(O)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662571 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc4c(C)ccc(Cl)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587662572 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662573 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662574 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)nc(COC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662575 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(=O)O)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662577 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662578 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4cccc(Cl)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662579 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc(Cl)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662580 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662581 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587662582 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587662583 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc(Br)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662585 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cncc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662586 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CC)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662587 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662588 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587662589 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Cl)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662590 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662591 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662592 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662593 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4cccc(C(F)(F)F)c4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662594 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662595 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662596 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662598 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662602 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]nc(Br)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662603 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)c(C)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662604 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662606 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Br)ccc(OC)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662607 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662609 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c4cc(Cl)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662610 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc4ccccc4c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662611 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662612 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C(=O)NN)c(Cl)c(N)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662613 KK Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662615 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662618 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccnc3SCCC(F)=C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662619 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662622 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662623 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)c(C)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662625 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Br)cc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662626 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(COc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662628 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Cl)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662633 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662634 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccc(Cl)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662636 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Br)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662637 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662638 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Br)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662641 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4cc(Br)cn4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662642 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662643 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662644 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662645 KK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662646 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662647 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662648 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cl)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662649 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C(F)(F)F)n(C)n4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662650 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(C(F)(F)F)ccc3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587662656 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(O)c(N)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662657 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(I)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662658 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662660 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(I)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662662 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662664 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662666 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662667 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662668 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cc(F)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587662669 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662672 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cccc(F)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587662673 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662674 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662676 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cn(-c4ncc(C(F)(F)F)cc4Cl)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662680 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662684 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662686 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662687 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Sc3nnc(CNc4ccc(I)cc4C)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662688 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Sc3nnc(CNc4ccc(I)cc4C)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662690 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662691 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN(C)C(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662692 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662698 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCc3ccc4ccc5cccc6ccc3c4c56)c(=O)c3ccccc23)c(O)c1 ZINC000587662700 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662701 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662705 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662706 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662707 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662708 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662709 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662710 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662712 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(Cl)nc4[nH]cnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662713 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3(c4ccc(Br)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662716 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)nc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662717 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662718 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662719 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662720 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662721 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662722 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662723 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662725 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(Br)cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587662729 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Br)cccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662730 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662731 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662734 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc(Cl)c3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587662735 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662738 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662740 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C(F)(F)F)nn4C)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587662741 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662742 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662746 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662747 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662749 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662750 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(Cl)cc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587662754 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(C)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587662756 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662758 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662759 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587662761 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662762 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587662764 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3noc(C)c3C(=O)Nc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662768 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662772 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662774 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)cc(Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662775 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662776 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662777 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662779 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662780 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)n(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662781 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc4nc(-c5ccc(Cl)cc5)cc(C)n4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662782 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662783 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(I)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662784 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Cl)c(C(F)(F)F)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662786 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662787 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662789 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662792 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662793 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662794 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587662796 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662797 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccc(O)c(O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662798 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587662799 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662800 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587662801 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4cc(Br)ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662802 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662804 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662805 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662806 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCNc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662807 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4cc(-c5ccc(F)cc5)sc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662808 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(COc4ccc(Cl)cc4)nc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587662810 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662812 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(Cl)ccc4cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662814 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662815 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(SC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662818 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662821 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C4CC4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662822 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(OC)c(F)c4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587662824 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662825 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587662826 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)n3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662828 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)n3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662829 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Br)cn4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662830 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662831 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662843 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662844 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662845 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)c(Cl)c(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662849 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3(c4cccc(Br)c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662852 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662853 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662854 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662855 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(Cc4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662857 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662859 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587662860 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(Cl)cccc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662862 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587662864 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662865 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Br)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662866 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(Br)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587662867 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662869 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662871 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662872 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662880 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662881 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Cl)c(C)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662882 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587662883 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Br)[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587662885 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N4CCCC4)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662886 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662887 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662888 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662891 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCOc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662892 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Br)cc4n[nH]cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587662895 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(Br)cnc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587662897 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Br)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662898 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662900 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662906 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662907 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c3cnn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662908 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4Br)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662910 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662911 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ncc(Br)cc4cc3C(=O)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587662912 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662913 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662915 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662916 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662917 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(C)cccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587662918 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(C(=O)O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587662919 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(Br)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662923 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587662924 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccc(OC)c(F)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587662983 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(OCC)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587662984 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3c(C)cccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587662986 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Br)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662987 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(Cc4cccc(F)c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587662988 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCOc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662989 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587662993 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587662997 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNC(=O)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587662998 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(Cl)cc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663001 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)NCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663006 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663008 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(F)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587663009 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663011 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663016 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663017 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(=O)OC)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663019 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)cc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663025 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(F)cc4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663026 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(I)c[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663027 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663028 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC(F)(F)C(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663029 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663030 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663031 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(I)cnn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663033 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(I)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663034 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663035 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663036 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663037 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663038 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663039 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663040 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663041 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3COc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663042 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663043 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)nn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587663044 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663045 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663046 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663047 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663048 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663051 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4ccc(C(F)(F)F)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587663052 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663053 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663054 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(F)ccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663056 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Br)c(C(F)(F)F)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663058 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663060 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663061 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663062 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663063 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663064 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(c4ccc(Cl)nn4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663065 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663066 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663067 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663069 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663071 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663072 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663073 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663074 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663075 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663076 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663077 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663078 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663079 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3csc(-c4ccc(F)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663081 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccncc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663082 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)c(OC)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663083 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663084 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)c(F)c(F)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663085 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]cc3I)c(=O)c3ccccc23)c(O)c1 ZINC000587663086 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663087 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663089 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COCC(F)(F)C(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663090 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663092 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663094 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3c(C)cc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663095 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663096 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(F)(F)F)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663097 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4cccc(Cl)c4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587663098 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC34C[C@@H]5C[C@H](C3)CC(c3c(C)noc3C)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587663100 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663101 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4ccccc4F)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663102 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663103 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)ncc3C(=O)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587663105 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663106 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663108 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663109 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663110 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cl)c(C(=O)O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663111 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663112 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Br)cc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663113 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663114 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)c(C)nc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663115 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663116 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663117 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663119 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cc(C)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663120 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3=C(C)N[C@H]4C=CC(Cl)=CN34)c(=O)c3ccccc23)c(O)c1 ZINC000587663122 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663126 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3=C(C)N[C@@H]4C=CC(Cl)=CN34)c(=O)c3ccccc23)c(O)c1 ZINC000587663127 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663128 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663129 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C(=O)OC)c(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663131 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3cncc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663132 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663133 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663134 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663135 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663136 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663137 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663138 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663140 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)ncc3C(=O)OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663141 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663142 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(Cl)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663145 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C(F)(F)F)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663146 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cccc(OC)c4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663147 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663148 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(Cl)cc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663149 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663150 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663151 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663152 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663153 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(C)s4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663154 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)ccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663155 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663156 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(Br)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663157 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3ncc(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663158 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663159 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4ccc(Br)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663160 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(O)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663161 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Br)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663162 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4cc(Cl)ccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663163 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663164 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4cccc(Cl)c4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663165 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccc(Br)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663166 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])nn3Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663167 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663168 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c(OCC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663169 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(Cl)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663170 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C(F)(F)F)ccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663171 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)cc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663172 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663173 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4cc(F)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663174 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587663176 KK Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663177 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663178 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663180 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663182 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNC(=O)c3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663183 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(OC)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663184 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663185 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663186 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3ccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663188 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3ccc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663189 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(-c4cn(-c5cccc(F)c5)nn4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587663191 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN[C@H](C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663193 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(Cl)c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663194 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN[C@@H](C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663195 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(Cl)c(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663196 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OC(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663198 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663199 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663200 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663201 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(OC)c(F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663204 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccc(SC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663206 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Br)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663207 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663208 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587663210 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663211 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccnc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663212 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663213 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(-n4nc(C)cc4C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663214 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(Br)cc(C)cc4Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663215 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663216 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CCC)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663217 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663218 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(F)c(Cl)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663219 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663222 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cncc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663223 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663224 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663226 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663227 KK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587663228 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663229 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4cc(Br)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663230 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(F)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663231 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)C(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663233 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663234 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663235 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663236 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Br)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663237 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Br)c([N+](=O)[O-])n4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663238 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663240 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Br)cc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663241 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccnn3C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663242 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663243 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663244 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(F)cc3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663245 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663246 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663248 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(OC)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663249 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663250 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587663252 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(OCC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663253 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663254 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663255 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663256 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663257 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(F)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587663258 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(Cl)c(F)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663259 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587663260 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)cc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663261 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cc(=O)n(-c4ccc(F)cc4)[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663262 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(Br)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663263 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(CC)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663264 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4ccc(F)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587663265 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(C(F)(F)F)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587663266 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)cc(I)c3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587663268 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cnn(CC)c4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663269 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)c(C(F)(F)F)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663270 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)nn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663271 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663272 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3c(F)cc(C(=O)N(C)C)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663273 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C(F)F)cc(C4CC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663275 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCc4cccc(F)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663276 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cn(C)nc4C)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663277 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663278 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3OC(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587663279 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663280 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(F)cccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587663281 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cn4cc(C(F)(F)F)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663283 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663284 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cnn(C)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663285 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663286 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cc(Cl)c([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663287 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(COc4cccc(Cl)c4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663289 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c(Cl)c4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663291 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c(Br)c4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663292 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Cl)c([N+](=O)[O-])n4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663294 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(Br)c4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663296 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663297 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663298 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663299 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663300 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663301 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(Cl)cc4)c3CCC)c(=O)c3ccccc23)c(O)c1 ZINC000587663303 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N4CCCCC4)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663304 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCOc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663305 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)cn3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663306 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(NN)c(Cl)c(N)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663307 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663309 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663310 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663311 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663313 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc(Cl)c([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663314 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Br)c(N)n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663315 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663316 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663317 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587663321 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cc(C)c(Br)cc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663322 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(Cc3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663323 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nnn(Cc4ccccc4)c3-c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663324 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccc(OC)c4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663325 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nn3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587663326 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(CC4CCCCC4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663327 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(CC4CCCCC4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663328 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587663331 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(C)=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663332 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(C)=O)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663333 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663334 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663335 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663338 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cc(C)ccc4C)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663339 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663340 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(C5CC5)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663341 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)c4ccccc4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663342 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663343 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663344 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663345 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnc4n[nH]c(C)c4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663349 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663350 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663351 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-n4nc(C)cc4C)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663352 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663353 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc([N+](=O)[O-])c(C)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663354 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663357 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663359 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(OCCN4CCN(Cc5ccccc5)CC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663360 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663361 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)c([N+](=O)[O-])c4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663362 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3C[C@@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663363 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3C[C@H](C)O[C@@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663364 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663365 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3c(C)n[nH]c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663366 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-n4cccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663368 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663369 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663370 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cn4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663371 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)nc4c3c(C)nn4CCC)c(=O)c3ccccc23)c(O)c1 ZINC000587663372 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4[nH]c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663373 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4n3CCC)c(=O)c3ccccc23)c(O)c1 ZINC000587663374 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4c3c(C)nn4CC)c(=O)c3ccccc23)c(O)c1 ZINC000587663376 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccc([N+](=O)[O-])c4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663378 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nn4cnnc4c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663379 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn([C@@](C)(Cc3ccc(O)c(O)c3)C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587663380 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc([N+](=O)[O-])cc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663381 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(C)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663383 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663384 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(O)c4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663385 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(c4ncccn4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663387 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN4CCN5CCC[C@H]5C4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663388 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN4CCN5CCC[C@@H]5C4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663389 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cnc([N+](=O)[O-])n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663390 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3nc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663391 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(N)cc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663392 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)CC)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663393 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587663395 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663397 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(Cn4nc(C)cc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663400 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663401 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc4cc[nH]c34)c(=O)c3ccccc23)c(O)c1 ZINC000587663402 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc([N+](=O)[O-])cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663403 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4CC)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663404 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663405 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663406 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663408 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCCCCC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663409 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663410 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663411 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(O)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663413 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(C(C)C)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663414 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3c[nH]c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663415 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663416 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663417 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663420 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(OC)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663421 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(OC)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663422 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN(C)c3ccc([N+](=O)[O-])c4nonc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663423 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663424 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663425 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663427 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663428 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4c(C)cc(C)c(O)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663429 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cc(OC)ccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663430 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663431 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663432 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663433 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@H](C)O[C@@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663434 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663435 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3C[C@@H](C)O[C@H](C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663436 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c4cccc(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663437 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])c[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663439 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587663440 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663441 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663443 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663444 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663445 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663446 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CC)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663447 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(C)nc4ccccn34)c(=O)c3ccccc23)c(O)c1 ZINC000587663448 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4Cc4ccccc4)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663449 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663451 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nc(O)c4cnn(C(C)(C)C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663452 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663453 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663456 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(-c4ccc(C)cc4)ccc3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663457 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@H]3Oc4ccccc4NC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663461 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@@H]3Oc4ccccc4NC3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663462 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663464 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc4[nH]ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663466 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663467 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663468 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663469 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663470 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663472 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663473 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc[nH]4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663474 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663478 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(CC)c4C)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663479 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3nnc(-c6ccccc6)n3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587663480 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-n4ccnc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663481 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663482 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663483 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)ncn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663484 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn(CC)c4nc(C)ccc4c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663485 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(N4C(=O)C=CC4=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663486 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4ccc(CC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663488 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663489 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CN(C(=O)OCc4ccccc4)CCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587663490 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CN(C(=O)OCc4ccccc4)CCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587663491 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663492 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]c(-c4ccccc4)cc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663493 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccn(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663495 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663496 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(C)(=O)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663499 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663500 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663501 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663502 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663503 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587663504 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587663505 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663507 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663508 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3nc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663509 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc([N+](=O)[O-])c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663510 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(Cc4ccc(C)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663511 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(C(C)(C)C)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663512 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4OC)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663514 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663515 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663516 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663517 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4ccc(C)cc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663518 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CCC)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663519 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C)cc4[N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663521 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3oc(-c4ccccc4)nc3C(N)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663522 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663525 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3ccc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663526 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4[N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663527 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cn(C)nc4C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587663529 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(C)nc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587663530 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCN3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663532 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCN3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663533 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663538 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4ccccc4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663540 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4n[nH]cc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663541 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663542 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663544 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663545 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc4c(n3)-c3ccccc3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587663546 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663547 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663548 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663549 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663551 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663552 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663555 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3CCCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663557 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663558 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(CC)c4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663562 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4nc3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663563 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663564 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663565 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN4C(=O)c5cccc6cccc4c56)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663566 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663567 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3c(O)nc4ccccc4c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663570 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N)c(S(=O)(=O)N(CCC)c4ccc(OC)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663571 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663572 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663573 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663574 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3ccc([N+](=O)[O-])n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663575 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663576 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CC34C[C@@H]5C[C@H](C3)CC(n3ncnn3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587663577 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663578 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663579 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ncc(C(=O)N4CCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663582 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(Cc4ccccc4)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587663583 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3C(=O)COc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587663584 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663586 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(C)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663587 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663593 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cnc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587663595 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N=[N+]=[N-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663596 KK Annotated Mild CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)c(OC)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663598 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663600 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)cc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663601 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663603 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663604 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663605 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663606 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663607 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663608 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663609 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663610 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663611 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N4CCOCC4)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663612 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663613 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663614 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663615 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3ccc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587663617 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4CC)c(=O)c3ccccc23)c(O)c1 ZINC000587663618 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)CC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663621 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663622 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(CC)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663623 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3-n3cccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663725 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663726 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(Cc4ccccc4)S(=O)(=O)c4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663727 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cc(=O)n(CC(C)C)[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663728 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCCc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587663729 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663730 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663731 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663732 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(Cc4ccccc4)S(=O)(=O)c4ccc(OC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663733 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCc4nnc(CC)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663734 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCc4nnc(CC)n4C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663735 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4cc(C)ccc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663736 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4ccn(C)n4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663737 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NCC)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663739 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3cnc4c(cnn4-c4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663741 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663742 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(Cc4ccc(C)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663743 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587663744 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])c(OC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663745 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ncc4c(n3)-c3ccccc3CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587663746 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4ccc([N+](=O)[O-])n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663747 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3-n3c(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663750 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C)c(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663753 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(=O)c4c(ncn4CC(C)C)n(Cc4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587663754 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(N4CCOCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663755 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663756 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cn(CC)nc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663758 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663759 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c3[nH]c3cc(OC)c(OC)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663760 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663761 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc([N+](=O)[O-])cn4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663762 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn(C)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587663763 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Nc3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663766 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C3CN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663768 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccccc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663769 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cccc(S(C)(=O)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663770 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c([N+](=O)[O-])c4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663772 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663775 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(C(=O)c4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663777 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(-c4ccccc4)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587663778 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663780 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(C(=O)OCC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663783 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663784 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587663786 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663787 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(S(C)(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663790 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663792 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)n(CC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663793 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)n(-c4ccccc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663795 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663800 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4cccc(OC)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663801 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663802 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cc[nH]c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663803 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663807 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccncc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663812 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])c(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663814 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])nn3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663815 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(CC)nc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587663817 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587663821 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCC(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663822 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCC(C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587663823 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663926 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587663927 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663928 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nnnn3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663929 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c(S(C)(=O)=O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587663930 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663931 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)N(CC)CC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663937 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)ccc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663938 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587663939 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663943 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587663945 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3nc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663946 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn(CC)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663948 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3nc4ccccc4n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663951 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587663954 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cncn3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663959 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4[N+](=O)[O-])o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663961 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cn(C)nc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587663962 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663968 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc([N+](=O)[O-])cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587663970 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4n3CCCC)c(=O)c3ccccc23)c(O)c1 ZINC000587663971 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587663980 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587663988 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)c3ccccc23)c(O)c1 ZINC000587663993 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587663996 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663997 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587663998 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(OC)cc4cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664000 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664001 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664003 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664006 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664008 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N(CC)CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664011 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-n4cccn4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664013 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664014 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664017 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587664020 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]c(C)c(C(=O)NC)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664023 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(C(C)C)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664030 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664037 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664045 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCN(Cc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664046 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCN(Cc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664049 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3-n3nc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664050 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OCC)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664055 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664056 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3nnc(C)n3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587664057 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3nnc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664063 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3n[nH]c4c3CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587664065 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CCC(C)C)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664068 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(Cn4cncn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664073 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc(OC)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664082 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664083 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)COc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664091 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664092 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664093 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(c4ncccn4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664094 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(c4ncccn4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664095 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4CCC)c(=O)c3ccccc23)c(O)c1 ZINC000587664096 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn(-c4cccc(C)n4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664099 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664100 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(CCc3c[nH]c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664101 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)cc(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664102 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc4cccc(O)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664103 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-n4cnnc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664106 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)/C(=C/c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664107 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)/C(=C\c3ccccc3[N+](=O)[O-])NC(C)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664108 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(OC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664126 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C(C)C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664127 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5c(c4)CCC5)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664134 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(OC)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664136 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664138 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664142 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664144 KK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)o2)cc1 ZINC000587664147 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4onc(C5CC5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587664148 KK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cc2)cc1 ZINC000587664154 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(C)c([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664157 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)CN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664158 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664159 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)CN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664160 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(OC)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664161 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4c(C)cccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664162 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664164 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](CC)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664166 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CC)n3cc([N+](=O)[O-])cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664167 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(CCN4CCN(C(=O)OC(C)(C)C)CC4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664169 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4ccc(C)c(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664174 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c[nH]c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664176 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664183 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664188 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664190 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cc(OC)ccc4OC)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664197 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)c4ccc(OC)cc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664200 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664201 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664203 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664204 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(-c5ccccc5)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664205 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587664207 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664208 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664210 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664211 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664212 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cc(C)ccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664213 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664216 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4nccn4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664217 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cn4ccc(C)cc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664219 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncc4c(n3)-c3ccc(OC)cc3CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587664220 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C(C)(C)C)n[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587664221 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3N)c(=O)c3ccccc23)c(O)c1 ZINC000587664226 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4cc(Br)c(C)cc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664228 KK Annotated Anodyne CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587664231 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nncc(-c4ccc(C)cc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664236 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c4c(c5ccccc53)CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587664239 KK Annotated Clean CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(Br)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664252 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664254 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664258 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C(C)C)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664259 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)OC(C)(C)c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664260 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4c(c3)NC3=CCCN3C4=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664261 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nn(CCCC)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664263 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCn3ncc([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664265 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664267 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cn(CC)nc4C)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587664269 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc4c(n3)[nH]c3c(C)cccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664272 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cnn(C)c4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664278 KK Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587664284 KK Annotated Anodyne CCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cc2)cc1 ZINC000587664286 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664287 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3c(C)n[nH]c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664288 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c3cnn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664289 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(-c5ccccc5)cc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664301 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Br)cc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587664309 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664314 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587664321 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Br)c([N+](=O)[O-])n4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664323 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc5cccnc45)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664327 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Br)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664333 KK Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc(OCC)c1OCC ZINC000587664337 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587664339 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Br)[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587664347 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664355 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3=C[C@H](CNc4ncc(C(F)(F)F)cc4Cl)ON3)c(=O)c3ccccc23)c(O)c1 ZINC000587664356 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3=C[C@@H](CNc4ncc(C(F)(F)F)cc4Cl)ON3)c(=O)c3ccccc23)c(O)c1 ZINC000587664357 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664358 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664366 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664370 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664371 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664372 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4cc(Br)cc(C)c4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664373 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccncc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664376 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccc(Br)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664378 KK Annotated Anodyne CCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1OCC ZINC000587664390 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664392 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664396 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5ccccc5c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664398 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664402 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4c3cnn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664407 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(Br)cc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587664408 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn4c(C)c(Br)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664409 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664424 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664428 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664429 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)ccc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664434 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Br)cc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664435 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3(c4ccc(Br)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664436 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4ccc(Br)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664438 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)c(Cl)c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664439 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(C)s4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664440 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc([N+](=O)[O-])cc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664442 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3nc4nc(-c5ccc(Cl)cc5)cc(C)n4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664443 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C(F)(F)F)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664446 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(Cl)cccc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664447 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c(Br)c4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664448 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCOc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664449 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)c(Cl)c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664454 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3(c4cccc(Br)c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664455 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cn(-c4ncc(C(F)(F)F)cc4Cl)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664456 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCOc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664457 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664458 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664465 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664466 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Br)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664467 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)c(Br)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664473 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664477 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664479 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664483 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587664486 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664488 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664490 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)nc4sc5c(c34)CCCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587664492 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(=O)c3ccccc23)c(O)c1 ZINC000587664494 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664497 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)c(C(=O)OCC)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664499 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(C)cc(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664501 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664505 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc([C@H]4C[C@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664510 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc([C@@H]4C[C@@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664512 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc([C@@H]4C[C@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664514 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc([C@H]4C[C@@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664516 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Nc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664517 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Nc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664518 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cc(Br)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664520 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(OC)nc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664523 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664527 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Br)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664535 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(OC)ccc(OC)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664538 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664548 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664552 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nccc(-c4cc(C)sc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664553 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664560 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664568 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664573 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664582 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664589 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C)ccc(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664594 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664596 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(NN)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664600 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(NN)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587664602 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC4CCCCCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664603 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664612 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(N(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664614 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664618 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664621 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(CC)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664625 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3CC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587664626 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)n3cnc4sc(CCC)cc4c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664629 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)n3cnc4sc(CCC)cc4c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664632 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664633 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(SC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664646 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664650 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H]3CCCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664656 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@H]3CCCC[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664660 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H]3CCCC[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664663 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@H]3CCCC[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664666 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc5ccccc5c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664667 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664673 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664677 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664678 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4scc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587664680 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3Cc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664685 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccccc4[nH]c3=S)c(=O)c3ccccc23)c(O)c1 ZINC000587664691 KK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)o2)cc1 ZINC000587664700 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664702 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664710 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587664714 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587664717 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c5c(ccc4s3)CCCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587664719 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(CS(=O)(=O)NC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664721 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664724 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@H]3c4cc(OC)c(OC)cc4CCN3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664728 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[C@@H]3c4cc(OC)c(OC)cc4CCN3S(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587664732 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(-c4ccccn4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664733 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664745 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(C)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664748 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664751 KK Annotated Anodyne CCOc1ccc(OCc2cccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)c2)cc1 ZINC000587664753 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664756 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664757 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3cc(Cl)nc(SC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664758 KK Annotated Anodyne CCCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1OC ZINC000587664759 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC(C)C)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664761 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587664762 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664767 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664776 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664784 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C)c3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664789 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)c(Br)cc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587664790 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(OC)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664791 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C)ccc(Cl)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664794 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cc(Cl)ccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664800 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)OCC3c4ccccc4-c4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587664801 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4ccccc4c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664805 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3c(C)cc(Br)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664806 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664809 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664812 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664815 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664821 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664822 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664827 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4cccc(Cl)c4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587664829 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C)c3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664831 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc([N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664834 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C)c(Cl)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664836 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664837 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664839 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Cl)c(OC)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664841 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(C(C)C)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664843 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664844 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664847 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664850 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664852 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC4CC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587664854 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664856 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587664860 KK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1nc(C)c(Br)c1C ZINC000587664861 KK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1nc(C)c(Br)c1C ZINC000587664862 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(OCc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664864 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664869 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(C)cccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664874 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664875 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664876 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c(Cl)c4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664882 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnn3COc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664885 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664887 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664888 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4c(Cl)cc(Cl)cc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664892 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587664895 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587664896 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664903 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664905 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664906 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587664907 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cnn(CC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664911 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4cccc(Cl)c4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664916 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Br)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664917 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587664923 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Br)cc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587664929 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)Oc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664931 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C(F)(F)F)n(C)n4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587664938 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664939 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cnn(CC)c4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587664940 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664945 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587664949 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4ccc(C(F)(F)F)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587664953 KK Annotated Anodyne CCc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)n2)cc1 ZINC000587664955 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664964 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587664965 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665030 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3c(C)cccc3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587665039 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(OC)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665047 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)c(OC)c4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665048 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665051 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665057 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665058 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4ccc(OCC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665060 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(Cl)cc4)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665066 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3NS(=O)(=O)c3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665067 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665070 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4cc(-c5ccc(Br)cc5)sc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665074 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665075 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665076 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665078 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(Cc4cccnc4)S(=O)(=O)c4ccc(OC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665082 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)/C=C3/NC(=O)c4c(sc(C)c4C)N3)c(=O)c3ccccc23)c(O)c1 ZINC000587665083 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)/C=C3\NC(=O)c4c(sc(C)c4C)N3)c(=O)c3ccccc23)c(O)c1 ZINC000587665089 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665091 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3S(=O)(=O)NC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665094 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)C[C@@H](C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665096 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665098 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc5ccccc5c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665099 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)C[C@H](C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665102 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccccc4Cl)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665106 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(CCC)c(C)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665107 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665108 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(OC)ccc(Cl)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665109 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665112 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665114 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665117 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665118 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)C4CCCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665119 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665121 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Br)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665123 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNC(=O)c3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665134 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CC)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665136 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665138 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665143 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665145 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc4c3CCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665151 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(-c4cccs4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665153 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccc(C)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665156 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665159 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587665161 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(S(=O)(=O)NCc4ccccc4)ccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587665163 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665165 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ncccc3S(=O)(=O)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665167 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nccc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665171 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665174 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665175 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665178 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cc(C)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665182 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3csc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665191 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587665193 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4cc(Br)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665196 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665200 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665203 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc4c3CC[C@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587665204 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc4c3CC[C@@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587665205 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665206 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3nc(-c4ccccc4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665208 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665209 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665210 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665211 KK Annotated Anodyne CC[C@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1nc(C)c(Cl)c1C ZINC000587665212 KK Annotated Anodyne CC[C@@H](C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O)n1nc(C)c(Cl)c1C ZINC000587665213 KK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccc(N(CCCC)CCCC)cc3O)c3ccccc3c2=O)cc1 ZINC000587665215 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587665216 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665217 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccccc4OC)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665223 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665225 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665226 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NCc4ccco4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665232 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4c(C)nc5ccccn45)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665234 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(C(=O)OCC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665236 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665238 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(Br)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665239 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc4nc(NN)sc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665242 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665245 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(C(F)(F)F)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665246 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665249 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cn(CC)nc4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665250 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665251 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665254 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665256 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)c(=O)c3ccccc23)c(O)c1 ZINC000587665258 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665264 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC4CC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665267 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665271 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(NS(=O)(=O)c4cccs4)cc(NS(=O)(=O)c4cccs4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665272 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)-c3ccccc3OC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665285 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665287 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(Br)c4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665289 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665292 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665293 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)nc4sc(C)c(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665294 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665298 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665300 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587665301 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587665302 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665306 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665327 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665337 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3[nH]c4ccc(Br)cc4c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665341 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(-c4ccc(Cl)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587665346 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665356 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc4cc(Br)ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665357 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)c(Cl)cc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665365 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665367 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587665371 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cccs4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665372 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc(-c4ccncc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665373 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccnn3COc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665374 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665380 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccnc3SCCC(F)=C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587665381 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665392 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665395 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Br)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665396 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(-c4cccc(C(F)(F)F)c4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665398 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)c(Cl)c(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665399 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OC)c(COc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665404 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665407 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665414 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665415 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665416 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)cc3C(=O)O)c(=O)c3ccccc23)c(O)c1 ZINC000587665418 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4cc(Br)ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665427 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665437 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Cl)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665440 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665445 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4[N+](=O)[O-])o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665462 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C)cc4[N+](=O)[O-])c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665463 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665471 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4cc5ccccc5o4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665475 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3Cc4c(ccc5ccccc45)O3)c(=O)c3ccccc23)c(O)c1 ZINC000587665488 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3Cc4c(ccc5ccccc45)O3)c(=O)c3ccccc23)c(O)c1 ZINC000587665489 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(C)cccc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665500 KK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)o1 ZINC000587665506 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc4c(n3)-c3ccc(OC)cc3CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665522 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc4c(n3)-c3ccccc3CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665523 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665540 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(S(=O)(=O)N(C)C)ccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665542 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(OC)cc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587665548 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC(C)(C)C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665552 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587665555 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665558 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(SC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665561 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSC(=S)N3CCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665568 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3scc(C)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665571 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OC)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665579 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc5c(c4)OCCCO5)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665586 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4scc(-c5ccc(C)cc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665587 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665599 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(OC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665601 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587665604 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC3CCN(Cc4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665609 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc5ccccc45)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665616 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc([N+](=O)[O-])cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665622 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(-c4ccc(CC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665626 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(C(C)(C)C)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665629 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665630 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN(C)S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665636 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665637 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665642 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(CC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665643 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H](C)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665644 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@H](C)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665650 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCCCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587665652 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(-c4ccccc4)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665657 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Cl)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665660 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(OCC)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665661 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665663 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Br)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665665 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(OCC)ccc3OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587665666 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@H](C)[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665667 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@H](C)[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665670 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665672 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H]3CCC[C@@H](C)[C@H]3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665674 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587665681 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587665685 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587665687 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587665690 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587665691 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587665692 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Br)cc4)on3)c(=O)c3ccccc23)c(O)c1 ZINC000587665693 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](C)Sc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665694 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Cl)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665695 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665696 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](C)Sc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665697 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4onc(-c5ccccc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665699 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc5ccccc5s4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665703 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665705 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4cccs4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665707 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587665711 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665715 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(-n4nc(C)cc4C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665716 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587665717 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665718 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccc(Cl)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665719 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587665720 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4sc(-c5ccccc5)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665723 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665724 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3c(C)nc4sccn34)c(=O)c3ccccc23)c(O)c1 ZINC000587665725 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc(C)cc(C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665729 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665731 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CNc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665734 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3csc(=NCc4ccco4)n3-c3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665735 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccnc3SC)c(=O)c3ccccc23)c(O)c1 ZINC000587665736 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccc(Cl)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587665737 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665738 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC(=O)C(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587665740 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4scc(-c5ccccc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665741 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3c(Cl)cc(Cl)c4ccc(C)nc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665743 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665746 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(S(=O)(=O)NCCN(CC)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665747 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665750 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587665752 KK Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665754 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665756 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(CC)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665760 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4sc(C)c(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587665761 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Br)cc4n[nH]cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665763 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665764 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665768 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665771 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(C)c(C)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665773 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665775 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665778 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665779 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665782 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3nc(C)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587665783 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccccc3S(=O)(=O)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587665784 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665785 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccnc4cc(Cl)ccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665786 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587665790 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@@H](C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587665792 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587665793 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(C)c(CC)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665794 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc(Cl)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665796 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587665798 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665801 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C)cc(C)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665802 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665803 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665804 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3c(COc4ccc(Cl)cc4)nc4ccccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587665805 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665807 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665809 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COCC(F)(F)C(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665810 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(OCC)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587665811 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665812 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc(Br)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665814 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665816 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665817 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665818 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665819 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665820 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587665822 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665828 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)c(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665830 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587665832 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665835 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4cc(Cl)ccc4nc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587665839 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4Cl)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587665847 KK Annotated Anodyne CCc1ccc(OCc2cccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)c2)cc1 ZINC000587665903 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccn4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587665904 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc([N+](=O)[O-])c(C)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587665924 KK Annotated Bother CCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)o2)cc1 ZINC000587665927 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccccc4nc3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587665952 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665969 KK Annotated Bother CCCCOc1ccc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1OC ZINC000587665972 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(ccc5ccccc54)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587665975 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc5c(c4)CCC5)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666004 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cc(C)ccc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666009 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666025 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666032 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587666037 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NC(=O)CC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666039 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666043 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666052 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666056 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C)c4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666060 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H](Sc3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666064 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666066 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)nc4sc5c(c34)CCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587666069 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCc3ccco3)c(=O)c3ccccc23)c(O)c1 ZINC000587666073 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cc4ccccc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666074 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666075 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666078 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666080 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666083 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666085 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666088 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666090 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc(C)cc(C)n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666093 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(Br)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666098 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666099 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666100 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666105 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666106 KK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587666107 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Cl)c4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666108 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(C)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666109 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666114 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666115 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666120 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc5c(cc4s3)OCO5)c(=O)c3ccccc23)c(O)c1 ZINC000587666121 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666123 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666126 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)NCCc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666129 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666132 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4ccc(Cl)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666133 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666135 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3cccc(Cl)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666136 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4cccc(Cl)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666138 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666141 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666142 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cccc(OC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666145 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666148 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666151 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@@H](C)C4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666153 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4sc(C)nc4C)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666157 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Br)cn4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666160 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Br)cc4)n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666168 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666170 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666174 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(CCC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666175 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cnn(CC)c4C)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666177 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccccc3O)c(=O)c3ccccc23)c(O)c1 ZINC000587666179 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666180 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc(C)cc(C(F)(F)F)n4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666183 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666185 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666191 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666192 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C)nc4sc(-c5ccccc5)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666194 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666195 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666196 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4sc(CC)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666197 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666200 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCCN(C)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666202 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666203 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666204 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666205 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666206 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666208 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666209 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666210 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(S(=O)(=O)N(C)C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666211 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666214 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])nn3Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666215 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(C(F)(F)F)nn3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666217 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Br)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666219 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666224 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)cc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666226 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSCC(=O)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666228 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(F)cc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587666238 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666240 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666243 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666245 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Br)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666252 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4sccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666254 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(Br)cc(C)cc4Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666259 KK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cnn1-c1ccc(Cl)cc1 ZINC000587666260 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666262 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(-c4ccccc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587666265 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(C)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666267 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3cn4ccsc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666268 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Br)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666269 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666270 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666272 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666275 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666277 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C4CCCCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666299 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587666306 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(CC)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666307 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(Cl)cc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587666308 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(SC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666309 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(Nc4cccc(OC)c4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666310 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666312 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Br)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666317 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)cc(C(F)(F)F)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666321 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666323 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(I)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666326 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666328 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666330 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666335 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(C)c3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666336 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(OC)ccc(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666337 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666338 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666344 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666348 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666349 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666352 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(C)c(C)c4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666353 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666356 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666360 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Cl)c([N+](=O)[O-])n4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666370 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3-n3c(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666373 KK Annotated Clean CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666374 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666379 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666381 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666382 KK Annotated Anodyne CCc1ccc(OCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c(Br)c1 ZINC000587666383 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4sccc4cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666384 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(Br)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666385 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666388 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)COc3cc(Cl)c(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666393 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Br)cc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666395 KK Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1OC ZINC000587666401 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3Cc4ccccc4CN3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666416 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666417 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666419 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3cc(C)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666420 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666422 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cn(C)nc4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666424 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3Cc4ccccc4CN3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666425 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666426 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666429 KK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666437 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(Cl)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666439 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3c(C)cccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666441 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Br)c4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666448 KK Annotated Anodyne CCCCC[C@@H](C)CNC(=S)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587666449 KK Annotated Anodyne CCCCC[C@H](C)CNC(=S)n1nc(-c2ccc(N(CCCC)CCCC)cc2O)c2ccccc2c1=O ZINC000587666454 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666457 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4cccc([N+](=O)[O-])c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666461 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3cc(C)nc(SC)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666463 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@H](C)CCCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666464 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(OCc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666465 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)N[C@@H](C)CCCC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666466 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666468 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(-c4cccs4)nn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666472 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666484 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3c(CC)cccc3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666497 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc([N+](=O)[O-])cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666505 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666506 KK Annotated Anodyne C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c(OC)c1 ZINC000587666507 KK Annotated Mild C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c(OC)c1 ZINC000587666508 KK Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3NS(=O)(=O)c3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666520 KK Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)n[nH]2)cc1 ZINC000587666523 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC4CCCCCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666538 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666542 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666544 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OCc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666549 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OCc4ccccc4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666552 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(CC4CCCCC4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666554 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(CC4CCCCC4)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666556 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cc2)cc1 ZINC000587666559 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666564 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666565 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cc(C)ccc4C)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666573 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666574 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(C(F)(F)F)nc(-c4cccnc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666576 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COCC(F)(F)C(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666581 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666585 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666587 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(Br)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666593 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666594 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666602 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666604 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666607 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666618 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666619 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666620 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666623 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666625 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666632 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Cl)c(F)c(C(F)(F)F)c(F)c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666633 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666637 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587666638 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666639 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666640 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666641 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666643 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4Br)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666651 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666793 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666820 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666822 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666823 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666824 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(Br)cccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666828 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666829 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666830 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666831 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@H]4C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587666832 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587666833 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3c(F)c(F)c(Br)c(F)c3F)c(=O)c3ccccc23)c(O)c1 ZINC000587666838 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666839 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(OC)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666841 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666843 KK Annotated Anodyne CCOc1cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)ccc1OC(F)F ZINC000587666844 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4ccc(F)cc4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587666845 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666856 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666857 KK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ncccc3-c3nc(-c4cccc(F)c4)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587666859 KK Annotated Anodyne CCCCc1ccc2nc(-n3nc(-c4ccc(N(CCCC)CCCC)cc4O)c4ccccc4c3=O)sc2c1 ZINC000587666866 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666867 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CNc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666868 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(F)ccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666871 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666872 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[S@](=O)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666877 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C[S@@](=O)Cn3cc(Cl)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666879 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666880 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccccn4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666881 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(OC)ccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666884 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4[nH]3)c(=O)c3ccccc23)c(O)c1 ZINC000587666886 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666890 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587666891 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666892 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666894 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666895 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666896 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587666897 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3cccc4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587666903 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666905 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666906 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666907 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587666913 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3csc(N4CCOCC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666918 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666920 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C)c(C)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666922 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cn(C)nc4C)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666923 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666925 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666928 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cn3c(=O)sc4cc(S(=O)(=O)N5CCCCC5)ccc43)c(=O)c3ccccc23)c(O)c1 ZINC000587666933 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)O)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666935 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4ccccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666936 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(Cc4cccc(F)c4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666937 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCC(Cc5ccccc5)CC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666938 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4Cl)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587666939 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(C)ccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587666943 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCN3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587666945 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3cn4cc(C(F)(F)F)ccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587666946 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(Br)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666947 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666951 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3C[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666952 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3C[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666954 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4cccc5ccccc45)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666956 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cn(CC)nc4C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666962 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCCCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 ZINC000587666963 KK Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(S(=O)(=O)c4cn(CC)nc4C)C3)c(=O)c3ccccc23)c(O)c1 ZINC000587666966 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(OC)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666967 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666968 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cc(CC)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666972 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3c(Br)ccc(OC)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587666976 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3cc(Br)ccc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587666977 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CN4c5cccc6cccc(c56)S4(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666978 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(Cl)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587666979 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC[C@@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666980 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NC[C@H]3CCCO3)c(=O)c3ccccc23)c(O)c1 ZINC000587666981 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666982 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666983 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nncn4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666984 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCc3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587666986 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(CCn4nc(C)c(Br)c4C)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587666989 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587666990 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cc(Cl)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587666993 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587666996 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)Nc3sc(C)c(C)c3C(=O)OCC)c(=O)c3ccccc23)c(O)c1 ZINC000587666998 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN4C(=O)c5cccc6cccc4c56)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667004 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667007 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667014 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667019 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667020 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)n(-c4ccccc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667022 KK Annotated Clean CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667026 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(C)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667031 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)Cc3csc(N4CCOCC4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667036 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(NC(C)=O)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667038 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667040 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667050 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(Nc4ccc(C)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667051 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667054 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667055 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(-c4ccc(C)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667056 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSCc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667062 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667073 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cccc(Cl)c4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667074 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4scc(-c5ccc(OC)cc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587667076 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667077 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667080 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CN3c4cccc5cccc(c45)S3(=O)=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667082 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(Cl)ccc(Cl)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667091 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccccc3C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667099 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587667101 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587667102 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCC(=O)N4[C@H](C)CCC[C@H]4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667119 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@@H]4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667121 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(OCC(=O)N4[C@@H](C)CCC[C@H]4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667122 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667166 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667183 KK Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587667188 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C)cc3-n3nc4ccccc4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667229 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3ccccn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667272 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cccc(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667273 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4cc5c(cc4s3)OCCO5)c(=O)c3ccccc23)c(O)c1 ZINC000587667274 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(=O)c3ccccc23)c(O)c1 ZINC000587667275 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCc3cccs3)c(=O)c3ccccc23)c(O)c1 ZINC000587667284 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc(Br)c(CC)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667285 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3nnc(CCn4cc([N+](=O)[O-])cn4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667287 KK Annotated Bother CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(N4CCOCC4)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667289 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc(N)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667290 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC4CCCC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667291 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3ccccc3SC)c(=O)c3ccccc23)c(O)c1 ZINC000587667292 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667293 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3ncnc4c(C)csc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667294 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc4c(c3)OCO4)c(=O)c3ccccc23)c(O)c1 ZINC000587667295 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4c(Cl)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667297 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4cccc(Cl)c4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667298 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667299 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667300 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3cc(Cl)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667302 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667304 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc(CC)nc4sc5c(c34)CCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587667305 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3scc(Br)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587667306 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c(s3)-c3ccccc3CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587667310 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)NCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667311 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)CSc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667312 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4F)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667313 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3sc4ccccc4c3-n3cccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667314 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(C(=O)NN)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667319 KK Annotated Reactive CCCCN(CCCC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)NC(C)C)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667328 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=O)c3cc4c5ccccc5n(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667329 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2nn(C(=S)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667332 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(I)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667333 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Br)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667339 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(Br)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667344 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667351 KK Annotated Clean CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4oc5c(c4c3)CCCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587667356 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Sc3nnc(CNc4ccc(I)cc4C)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667384 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Sc3nnc(CNc4ccc(I)cc4C)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667385 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)cc(I)c3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667386 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667389 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O ZINC000587667394 KK Annotated Mild CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667395 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667397 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C(F)F)c(=O)c3ccccc23)c(O)c1 ZINC000587667398 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667401 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(F)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667403 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(OC(F)(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667408 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4cc(-c5ccc(F)cc5)sc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667412 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667415 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667416 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4OC(F)F)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667418 KK Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1OCC ZINC000587667421 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667427 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587667428 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667433 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667443 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667444 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(C(C)C)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667445 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667447 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)c4ccccc4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667454 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667473 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667475 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667478 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)ccc1N ZINC000587667480 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4C(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587667483 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccc(OC)c4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667489 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667494 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667502 KK Annotated Bother CCc1ccc(-c2cc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)n[nH]2)cc1 ZINC000587667505 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667518 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(C(C)(C)C)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667521 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4c3c(C)nn4CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667522 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667528 KK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccc(-c4nc(-c5ccc(F)cc5)no4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587667538 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667542 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667543 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)CC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667561 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667564 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667565 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667566 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4cccc(OC)c4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667573 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3nc(-c4ccccc4C)no3)c(=O)c3ccccc23)c(O)c1 ZINC000587667574 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)c(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667583 KK Annotated Anodyne CCOc1ccc(NC(=O)CCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667586 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667587 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3Oc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667589 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc(OC(F)F)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667593 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667594 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nccc(-c4ccc(OC)c(F)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667596 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4cc(F)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667597 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667598 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667599 KK Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667604 KK Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587667605 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(=O)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667606 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(=O)c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667607 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCCc3ccc4ccc5cccc6ccc3c4c56)c(=O)c3ccccc23)c(O)c1 ZINC000587667609 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCCOc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667619 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(Cn4nc(C(F)F)cc4C(F)F)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667621 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(C(=O)c4cc(F)c(Cl)cc4F)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667630 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cc(-c3cnn(C)c3C)nc21 ZINC000587667638 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3[nH]c(-c4ccccc4)cc3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667641 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667645 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667670 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667671 KK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667675 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667679 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)c(=O)c3ccccc23)c(O)c1 ZINC000587667688 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)cc4C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667695 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667709 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nnc(-c4ccccc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667716 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccc([N+](=O)[O-])c4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667724 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3nnn(Cc4ccccc4)c3-c3cccnc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667726 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(CC)c4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667733 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(OC)c(F)c4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587667772 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(COc4ccc(F)cc4F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667774 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(F)cc3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587667775 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667776 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667780 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667781 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667782 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587667783 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3csc(-c4ccc(F)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667784 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)c(=O)c3ccccc23)c(O)c1 ZINC000587667803 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667809 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(F)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667820 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(F)c(Cl)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667822 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3nnc(-c4ccc(C)cc4)o3)c(=O)c3ccccc23)c(O)c1 ZINC000587667823 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccc4cc(OC)ccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667844 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)F)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667846 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667847 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667849 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C(C)C)cc(C(C)C)c3O)c(=O)c3ccccc23)c(O)c1 ZINC000587667857 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3ccccc3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667862 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccc(SC(F)F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667863 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587667878 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c([N+](=O)[O-])c4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667880 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667881 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(Cn4nnc(-c5ccccc5)n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667885 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)cc4C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667895 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4c3[nH]c3cc(OC)c(OC)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667904 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3nnc(-c6ccccc6)n3)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667906 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(Cc4ccccc4)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667907 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4ccc(-c5ccccc5)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667921 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN(Cc4cccnc4)S(=O)(=O)c4ccc(OC)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667922 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN(C)S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667935 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667941 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)c(=O)c3ccccc23)c(O)c1 ZINC000587667944 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667950 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cnn(CC)c4C)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667954 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccccc3OC)c(=O)c3ccccc23)c(O)c1 ZINC000587667964 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)cc(C)c4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587667967 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(F)cc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667968 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)COc3c(I)cc(Cl)c4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587667969 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccccc3OCc3ccc(F)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667971 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cccc(OC(F)(F)C(F)F)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667972 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587667977 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667978 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4ccccc4c3)c(=O)c3ccccc23)c(O)c1 ZINC000587667979 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CC34C[C@@H]5C[C@H](C3)CC(c3c(C)noc3C)(C5)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587667982 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587667983 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C(F)(F)F)nn4C)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587667991 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667998 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587667999 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668011 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668012 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587668014 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(Cl)c(F)c4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668018 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(OC(F)(F)F)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668019 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)Nc3cc(C)ccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668020 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587668022 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587668023 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587668024 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3cccs3)N4)c(=O)c3ccccc23)c(O)c1 ZINC000587668025 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668035 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587668036 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668040 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nn(CCC(C)C)c(=O)c4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587668057 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)ccc4C)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668071 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)c(O)c1 ZINC000587668077 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668078 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(NS(=O)(=O)c4cccs4)cc(NS(=O)(=O)c4cccs4)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668079 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587668093 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587668094 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587668095 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cc(C)nc21 ZINC000587668107 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668113 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668114 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668116 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3cccc(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668118 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Br)cn4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668121 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(-c4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668124 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C(F)(F)F)n(C)n4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587668125 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668126 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3cc(Cl)c(OC)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587668127 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668128 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668129 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(C)c(C)c4)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668132 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668135 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C(F)(F)F)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668136 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Br)cc4n[nH]cc34)c(=O)c3ccccc23)cc1OCC ZINC000587668138 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668140 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(OC(F)(F)F)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587668141 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668143 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587668144 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc(Cl)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668146 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3[nH]c4ccc(Br)cc4c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668148 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cccc(Cl)c4Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668151 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cnn(C)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668152 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668153 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668159 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668160 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668161 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(Cl)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668162 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(C(F)(F)F)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587668164 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4c(Cl)cccc4Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668166 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(Br)nc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668168 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668169 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(N4CCCC4)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668170 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)nc(-c4ccncc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668171 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3cc(C(F)(F)F)cc(Cl)c3=O)c(=O)c3ccccc23)cc1OCC ZINC000587668172 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Cl)cn4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668173 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668174 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Br)cc4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668176 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668181 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)c(C)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668182 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCOc3ccc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668185 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cnn(CC)c4C)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668191 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Br)c3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668192 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668193 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668196 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668197 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668204 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668205 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668206 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668207 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668208 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4cc(C)ccc4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668209 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc4ccccc4c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668210 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(C(F)(F)F)nn(C)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587668211 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3cccs3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668212 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3cccs3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668213 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3cccs3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668214 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3cccs3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668215 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Br)c([N+](=O)[O-])n4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668216 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)COc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668217 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668218 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668220 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668223 KK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cnn1-c1ccc(Cl)cc1 ZINC000587668224 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)c(Br)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668226 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668228 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668229 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)cc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668232 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668234 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)ccc4Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668236 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(Br)cc4[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587668237 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4cc(Cl)ccc4nc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668239 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668241 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4cc(Br)cc(C)c4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668242 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc4nc(-c5ccc(Cl)cc5)cc(C)n4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668243 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C(F)(F)F)nn4C)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587668245 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668246 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668248 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668249 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)c(Cl)c(C)c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668251 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(-c4ccc(Cl)cc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668259 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668260 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4cccc(Cl)c4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668261 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CSc4nc(C)cc(C(F)(F)F)n4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668262 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nnn(-c4ccc(Cl)cc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668263 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668264 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668265 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)c(Cl)c4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668266 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)nc(-c4cccnc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668268 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668269 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668272 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587668276 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)c(Cl)cc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668279 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668284 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OC)c(COc4ccccc4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668285 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)cc(Cl)cc3C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668286 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4cc(Br)c(C)cc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668287 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cn(C)nc4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668288 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccnc3SCCC(F)=C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668289 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668290 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)c(Cl)c(C)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668296 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(C(F)(F)F)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668298 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)c(F)c(C(F)(F)F)c(F)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587668300 KK Annotated Mild CCOc1ccc(-c2nn(C(=O)C(C)(C)Oc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668311 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668312 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)c(=O)c3ccccc23)cc1OCC ZINC000587668319 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cn(C)nc4C)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668320 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668324 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cccc(Cl)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668326 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668330 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668331 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cc(C)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668333 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cc(C)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668335 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668337 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnn3COc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668343 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668344 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668358 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3=C[C@H](CNc4ncc(C(F)(F)F)cc4Cl)ON3)c(=O)c3ccccc23)cc1OCC ZINC000587668360 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3=C[C@@H](CNc4ncc(C(F)(F)F)cc4Cl)ON3)c(=O)c3ccccc23)cc1OCC ZINC000587668361 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)C(F)(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668364 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cn(CC)nc4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668380 KK Annotated Anodyne CCCCC(=O)Nc1ccc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587668381 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(C)c(C(F)(F)F)c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668386 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3cc(Br)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668390 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3cc(Br)c(C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668394 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(Br)c4cccnc34)c(=O)c3ccccc23)cc1OCC ZINC000587668396 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668397 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668398 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn4c(C)c(Br)ccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668399 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc4cc(Br)ccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587668401 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccc(OC)c4)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587668402 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)c(F)c(C(F)(F)F)c(F)c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668405 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668406 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C(F)(F)F)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668409 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(CCn4nc(C)c(Br)c4C)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668414 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668421 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c(=O)c3ccccc23)cc1OCC ZINC000587668425 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668427 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668430 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668431 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(OC)c(OC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668433 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(-c5ccccc5)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668434 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)c(C)c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668436 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3-c3nc(-c4cccc(Cl)c4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668438 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668442 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668447 KK Annotated Bother CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668449 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)-c3ccccc3CC4)c(=O)c3ccccc23)c(O)c1 ZINC000587668462 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(CC)cc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668464 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)c(Cl)c(C)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668468 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(C)cc4C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668469 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(Br)c(Cl)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587668472 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668481 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(F)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668486 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4onc(-c5ccccc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587668487 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Br)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668491 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccnn3COc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668496 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(OC(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668500 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCC(Cc5ccccc5)CC4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668503 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Br)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668504 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C)cc3-n3nc4ccccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668509 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)OC(C)(C)c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668512 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Br)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668514 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4ccc(Br)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587668515 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)OCC3c4ccccc4-c4ccccc43)c(=O)c3ccccc23)cc1OCC ZINC000587668517 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4cccc(C(F)(F)F)c4)nn3)c(=O)c3ccccc23)cc1OCC ZINC000587668523 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Br)cccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668525 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])ccc3N3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668534 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668540 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cn4cc(C(F)(F)F)ccc4n3)c(=O)c3ccccc23)cc1OCC ZINC000587668546 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3c(C)nn(-c4ccccc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668550 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668552 KK Annotated Anodyne CCOc1ccc(-c2cc(C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)n[nH]2)cc1 ZINC000587668553 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668554 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668556 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668557 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc5ccccc5c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668567 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3-n3c(C)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587668568 KK Annotated Clean CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668569 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(F)c(F)c(Br)c(F)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587668573 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc5c(c4)CCC5)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668576 KK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587668585 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Br)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668586 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668591 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4sc(C)nc4C)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587668592 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cccc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668593 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cccc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668595 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668596 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Br)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668600 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668601 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Br)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668604 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)c(OCC)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668606 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)c(C)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668608 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668616 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668617 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cc(C)ccc4C)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668621 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C(C)C)cc(C(C)C)c3O)c(=O)c3ccccc23)cc1OCC ZINC000587668629 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587668632 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587668636 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccccc4Cl)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668638 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668642 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668643 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668645 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668648 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4onc(C)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587668657 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668660 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4o3)c(=O)c3ccccc23)c(O)c1 ZINC000587668661 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668662 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N(CC)c4ccccc4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668663 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-c4ccc(F)cc4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587668682 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668688 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668689 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668690 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668692 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(I)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668700 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4cccc5ccccc45)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668702 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCCCNC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587668710 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668713 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668715 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3nc(-c4ccccc4C)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668716 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc([C@@H]4C[C@@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668718 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc([C@@H]4C[C@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668728 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc([C@H]4C[C@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668729 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc([C@H]4C[C@@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668731 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4ccccc34)c(=O)c3ccccc23)c(O)c1 ZINC000587668732 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587668735 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc5ccccc5c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668740 KK Annotated Anodyne CCCCOc1ccc(C(=O)NCC(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587668748 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)=O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668750 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)=O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668751 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4cc(-c5ccc(F)cc5)sc34)c(=O)c3ccccc23)cc1OCC ZINC000587668752 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3c(I)cc(Cl)c4cccnc34)c(=O)c3ccccc23)cc1OCC ZINC000587668756 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)c(C)c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668761 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668763 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4scc(-c5ccc(C)cc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587668771 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-c4ccc(Cl)c(F)c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668774 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CN4c5cccc6cccc(c56)S4(=O)=O)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668776 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4F)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668781 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668782 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587668783 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587668784 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(-c4nc(-c5ccc(F)cc5)no4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668786 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668787 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587668789 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3(c4cccc(Br)c4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668793 KK Annotated Anodyne CCc1cccc(CC)c1-n1c(SCC(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)nnc1-c1ccc(OC)cc1 ZINC000587668805 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Sc3nnc(CNc4ccc(I)cc4C)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668808 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Sc3nnc(CNc4ccc(I)cc4C)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587668809 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc4c(n3)-c3ccc(OC)cc3CC4)c(=O)c3ccccc23)cc1OCC ZINC000587668829 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc([N+](=O)[O-])c(OCc4ccccc4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668835 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4onc(C5CC5)c34)c(=O)c3ccccc23)cc1OCC ZINC000587668838 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668839 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668843 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668845 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)c(=O)c3ccccc23)cc1OCC ZINC000587668847 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4cc(Cl)c([N+](=O)[O-])n4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668854 KK Annotated Bother CCOc1ccc(-c2nn(-c3nc(-c4cccs4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668857 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3-c3nc(-c4ccc(C)cc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587668858 KK Annotated Anodyne CCCc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)o2)cc1 ZINC000587668874 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668880 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3[nH]c4ccccc4c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587668881 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(NC(=O)CC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668882 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668889 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4cc5ccccc5o4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668892 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(C(F)(F)F)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668893 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COCC(F)(F)C(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668899 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668907 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccccc4OC)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668912 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C(F)(F)F)nn3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668928 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cccc(C(F)(F)F)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668931 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668933 KK Annotated Bother CCOc1ccc(-c2nn(-c3nc(-c4cnn(CC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668934 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc([N+](=O)[O-])c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668938 KK Annotated Bother CCOc1ccc(-c2nn(-c3nc(C(F)(F)F)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587668943 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CN(C)S(=O)(=O)c4ccc(C)cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668946 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668947 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668948 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587668949 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cnn(-c4ccc(C)cc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587668952 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)c3ccccc23)cc1OCC ZINC000587668956 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668961 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](C)C[C@H]4C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668963 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587668964 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](C)C[C@@H]4C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668965 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](C)C[C@H]4C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668967 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587668969 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587668977 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668982 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3cc(Br)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587668984 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc(Br)cc3C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587668987 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(Cl)c(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587668990 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587668997 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587668999 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc([N+](=O)[O-])cc4Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669003 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc(Cl)c(OC)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669009 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)c4ccc(C(C)C)cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669012 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cnn(CC)c4C)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669016 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669018 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669026 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(C(C)(C)C)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669027 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669031 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587669034 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(OC)cc4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669037 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(CC)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669041 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669048 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(CCC(C)C)c(=O)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669050 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669059 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3csc(=NCc4ccco4)n3-c3cccc(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669069 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(CC)nc4sc5c(c34)CCC5)c(=O)c3ccccc23)cc1OCC ZINC000587669074 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(CCn4nc(C)c(Br)c4C)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669086 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587669099 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669104 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)c(=O)c3ccccc23)cc1OCC ZINC000587669105 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669107 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CC34CCN(C(=O)OC(C)(C)C)CC4)c(=O)c3ccccc23)cc1OCC ZINC000587669108 KK Annotated Anodyne CCCCCn1nc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587669113 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cnn(CC)c4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669115 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)cc4C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669119 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(CC)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587669124 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669126 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3noc(C)c3C(=O)Nc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669135 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@H]4C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669141 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)c(=O)c3ccccc23)cc1OCC ZINC000587669143 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@@H]4C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669149 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@H](c3ccccc3)C[C@@H]4C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669152 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(-c4cccs4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669158 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587669163 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669164 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(C)c(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669172 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669176 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669180 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 ZINC000587669191 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Br)cc4)n3C)c(=O)c3ccccc23)cc1OCC ZINC000587669192 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 ZINC000587669193 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 ZINC000587669194 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 ZINC000587669196 KK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3cc4cc(Br)ccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669197 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4cc5c(cc4s3)OCCO5)c(=O)c3ccccc23)cc1OCC ZINC000587669206 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669210 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(-c4cccs4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587669212 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(Cl)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669214 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4ccc(Cl)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669217 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669226 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4ccccc4c3-n3cccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669231 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)c(Br)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669234 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669240 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669241 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)c(CC)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669243 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3NS(=O)(=O)c3cccs3)c(=O)c3ccccc23)cc1OCC ZINC000587669253 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669264 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4scc(-c5ccc(OC)cc5)c34)c(=O)c3ccccc23)c(O)c1 ZINC000587669265 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(C(Br)Br)(C(Br)Br)N1 ZINC000587669271 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C(C(Br)Br)(C(Br)Br)N1 ZINC000587669273 KK Annotated Reactive CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669275 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669277 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccc(Br)cc4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669279 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669285 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(Br)cc4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587669296 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Br)cc4)n3C)c(=O)c3ccccc23)c(O)c1 ZINC000587669300 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(C)c3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669307 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(OC)ccc(OC)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669312 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669313 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(Br)c(Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669315 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669316 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669317 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587669318 KK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669320 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(Br)ccc(OC)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669321 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccc(Br)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669322 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C3CCCCC3)c(=O)c3ccccc23)c(O)c1 ZINC000587669330 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)c(O)c1 ZINC000587669335 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NCCc3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669337 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4ccc(Br)cc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669338 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Br)cc4Cl)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669344 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])c(C)c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669346 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)Cc3nc(-c4ccccc4)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587669347 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)c(Cc4ccccc4)c(O)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669349 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)c(OC)c4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669354 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669363 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Br)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669364 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4[N+](=O)[O-])o3)c(=O)c3ccccc23)cc1OCC ZINC000587669369 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(OC)cc4)on3)c(=O)c3ccccc23)cc1OCC ZINC000587669370 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669381 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)COc3c(C)cc(Br)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587669395 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(CC)cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669396 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@@H](C)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587669402 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)N[C@H](C)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587669404 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587669407 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669408 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c([N+](=O)[O-])c4C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669418 KK Annotated Bother CCN(CC)c1ccc(-c2nn(-c3ccc(S(=O)(=O)N4CCC(Cc5ccccc5)CC4)cn3)c(=O)c3ccccc23)c(O)c1 ZINC000587669419 KK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587669421 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(OC)cc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587669424 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c5ccccc5n(C)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669441 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncc4c(n3)-c3ccccc3CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587669442 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn4c3N[C@@H](c3ccccc3)C[C@H]4C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669445 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4cc(Br)cn4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669449 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccc(Cl)cc3OC)c(=O)c3ccccc23)cc1OCC ZINC000587669450 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669451 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc([C@@H]4C[C@@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669454 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc([C@H]4C[C@@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669456 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc([C@@H]4C[C@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669457 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc([C@H]4C[C@H]4c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669458 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669459 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(-c4ccc(CC)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669475 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(OC)ccc(OC)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669479 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(Cn4nc(C(F)F)cc4C(F)F)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669480 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669482 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cc4ccccc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669483 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C)c3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669493 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669500 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Br)(Br)CBr)N1 ZINC000587669505 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Br)(Br)CBr)N1 ZINC000587669507 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(Br)(Br)CBr)N1 ZINC000587669508 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4c(Cl)cccc4Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669509 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(Br)(Br)CBr)N1 ZINC000587669510 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(CSc4nc5ccccc5s4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669521 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(OC)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669524 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COCC(F)(F)C(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669525 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(F)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669526 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4sc(C)nc4C)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587669528 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(N4CCCCC4)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669529 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)c(C)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669530 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4c(C)cccc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669531 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4c3cnn4Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669532 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587669533 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587669534 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587669535 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587669536 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587669538 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587669539 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587669540 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587669541 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669544 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669546 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSCc3ccccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669553 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3c(Br)c(C(F)(F)F)nn3C)c(=O)c3ccccc23)cc1OCC ZINC000587669561 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nn(-c4ccccc4C(F)(F)F)cc3O)c(=O)c3ccccc23)cc1OCC ZINC000587669564 KK Annotated Anodyne CCCCn1nc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c2ccccc2c1=O ZINC000587669568 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3c(Cl)cc(Cl)c4ccc(C)nc34)c(=O)c3ccccc23)cc1OCC ZINC000587669570 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4cc(Br)ccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669575 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3[nH]c(-c4ccccc4)cc3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669577 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669578 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3c(Cl)cccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669579 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3nc(C)c(Cl)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669582 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587669583 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Br)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669588 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669589 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccccc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669591 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587669592 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587669594 KK Annotated Reactive CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)cc(-c3cnn(C)c3C)nc21 ZINC000587669596 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587669597 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669603 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(C)s4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669611 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3c(CC)cccc3CC)c(=O)c3ccccc23)cc1OCC ZINC000587669613 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587669617 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669621 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587669622 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587669624 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4onc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587669628 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(C)c(C)c3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587669629 KK Annotated Anodyne CCCCc1ccc(NC(=S)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587669633 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669634 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587669642 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669643 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587669645 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587669648 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587669651 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3cccc4cccnc34)c(=O)c3ccccc23)cc1OCC ZINC000587669658 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669662 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4c3[nH]c3cc(OC)c(OC)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587669666 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669672 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(C(C)C)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669673 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587669678 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669679 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c(Cl)c4C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669680 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669681 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669682 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3c(C)cc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669685 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3c(C)cc(Cl)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587669687 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4ccc(C(F)(F)F)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669703 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccccc3C(F)(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587669705 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C3CCCCC3)c(=O)c3ccccc23)cc1OCC ZINC000587669727 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3S(=O)(=O)Nc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669728 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669741 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587669747 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669749 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)ccc1N ZINC000587669751 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CC)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669775 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](CC)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587669782 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc(C)cc(C)n4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669785 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669786 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4[N+](=O)[O-])o3)c(=O)c3ccccc23)cc1OCC ZINC000587669787 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)CSc3nccc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)c(O)c1 ZINC000587669790 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669795 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(ccc5ccccc54)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669801 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3Cc4c(ccc5ccccc45)O3)c(=O)c3ccccc23)cc1OCC ZINC000587669806 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3Cc4c(ccc5ccccc45)O3)c(=O)c3ccccc23)cc1OCC ZINC000587669811 KK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)nnc2-c2cccnc2)cc1 ZINC000587669824 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669826 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669832 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4cc(-c5ccc(Br)cc5)sc34)c(=O)c3ccccc23)c(O)c1 ZINC000587669837 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4ccc(Br)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587669845 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)NC(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669848 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669849 KK Annotated Bother CCOc1ccc(-c2nn(-c3nc(C)nc4sc5c(c34)CCCC5)c(=O)c3ccccc23)cc1OCC ZINC000587669851 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3ncnc4sc(-c5ccccc5)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587669852 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669856 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(Cn4nc(C)c(Br)c4C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669857 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669858 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669859 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)N1 ZINC000587669861 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669862 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)N1 ZINC000587669865 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(Br)ccc3O)c(=O)c3ccccc23)cc1OCC ZINC000587669866 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)[C@H](Br)c2ccccc2)N1 ZINC000587669867 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)[C@@H](Br)c2ccccc2)N1 ZINC000587669870 KK Annotated Reactive CCOc1ccc(-c2nn(-c3nc(-c4ccccn4)nc4c3CCC4)c(=O)c3ccccc23)cc1OCC ZINC000587669871 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cccc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669873 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4cccc(Cl)c4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669891 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669892 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587669894 KK Annotated Bother CCOc1ccc(-c2nn(-c3nccc(-c4ccc5ccccc5c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669895 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(Cl)cc4)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587669906 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4onc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587669907 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-c4ccc(Br)cc4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669917 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(Br)cc4)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587669918 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccc(C)cc4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587669928 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587669933 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)C)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587669940 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669942 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(Br)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669944 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669946 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(C)c4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669947 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3c4ccc(Cl)cc4c4cc(Cl)ccc43)c(=O)c3ccccc23)cc1OCC ZINC000587669950 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](Sc3ccccc3)c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587669952 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(Cl)cc4)nc4onc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587669966 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4ccccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669968 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3CC(C)C)c(=O)c3ccccc23)c(O)c1 ZINC000587669970 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587669971 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc(Cl)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587669975 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3c(Cl)cc(Br)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669978 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669981 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@@H](C)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587669982 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccc(C)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587669991 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3cccc4cccnc34)c(=O)c3ccccc23)c(O)c1 ZINC000587669994 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670003 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)N[C@H](C)c3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670004 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Br)(Br)CBr)N1 ZINC000587670009 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Br)(Br)CBr)N1 ZINC000587670011 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(Br)(Br)CBr)N1 ZINC000587670012 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(Br)(Br)CBr)N1 ZINC000587670014 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H](C)n3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670017 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(-c4ccccc4)nc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587670020 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670023 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)c(Br)cc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587670024 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3cn(-c4ncc(C(F)(F)F)cc4Cl)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670025 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cccc(OC)c4)cc(C(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670026 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CNc3ncc(C(F)(F)F)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670035 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670036 KK Annotated Anodyne COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670037 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670038 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670039 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670040 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670041 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3csc(C)c3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670046 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670051 KK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)nnc2-c2cccnc2)cc1 ZINC000587670054 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4cccc(Cl)c4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587670056 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc([N+](=O)[O-])nn3Cc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670059 KK Annotated Bother CCOc1ccc(-c2nn(-c3c(Cl)cc(C(F)(F)F)c(F)c3F)c(=O)c3ccccc23)cc1OCC ZINC000587670061 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)c(Br)[nH]3)c(=O)c3ccccc23)cc1OCC ZINC000587670068 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OC)c(COc4cccc(Cl)c4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670071 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670080 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)Cc3csc(=NCc4ccco4)n3-c3cccc(OC)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587670083 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670084 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670085 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c3ccc(F)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670087 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3cccc(Br)c3)c(=O)c3ccccc23)c(O)c1 ZINC000587670092 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cn3nc(C(F)F)cc3C(F)F)c(=O)c3ccccc23)cc1OCC ZINC000587670093 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670099 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670100 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670101 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587670102 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)c(Br)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670104 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4cccc(OC)c4)cc(C(F)(F)F)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670107 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4c(Br)cc(C)cc4Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670113 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670115 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670117 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670118 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](c3ccc(C(C)C)cc3)N4)c(=O)c3ccccc23)cc1OCC ZINC000587670120 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCOc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670124 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccc(Cl)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670129 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670130 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nnn(Cc4ccccc4)c3-c3cccnc3)c(=O)c3ccccc23)cc1OCC ZINC000587670132 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nnc(-c4ccccc4)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670141 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670142 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)Nc4cc(Cl)ccc4Cl)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670145 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CN4C(=O)c5cccc6cccc4c56)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670146 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(C)c(S(C)(=O)=O)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670151 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587670163 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587670164 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587670165 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 ZINC000587670166 KK Annotated Reactive CCOc1ccc(-c2nn(C(=S)NCCc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670167 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587670169 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587670184 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587670187 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670188 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670190 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4nc([N+](=O)[O-])cc4C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670192 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)c(=O)c3ccccc23)cc1OCC ZINC000587670197 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)c(=O)c3ccccc23)cc1OCC ZINC000587670201 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670216 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587670235 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587670236 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587670237 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 ZINC000587670239 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670240 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)N(C(C)C)C(C)C)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670242 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587670246 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670247 KK Annotated Anodyne COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670262 KK Annotated Reactive COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670264 KK Annotated Reactive COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670266 KK Annotated Reactive COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587670268 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)cc(C)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670271 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](Sc3ccccc3)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670274 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](Sc3ccccc3)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670276 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670280 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccncc4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670283 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670294 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OCC)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670301 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccc([N+](=O)[O-])c(C)c4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670303 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C3CC3)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587670306 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4onc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587670308 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)n(-c4ccccc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670314 KK Annotated Clean C[C@H](Br)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670323 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587670325 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](C)Br)N1 ZINC000587670327 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670328 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](C)Br)N1 ZINC000587670329 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587670331 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587670332 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587670333 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587670334 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587670335 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587670336 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670337 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670338 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OC)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670342 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670350 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc([N+](=O)[O-])c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670363 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3sc(-c4ccccc4)cc3N)c(=O)c3ccccc23)cc1OCC ZINC000587670364 KK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)o2)cc1 ZINC000587670393 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(C)cc4)nc4c3c(C)nn4CC)c(=O)c3ccccc23)cc1OCC ZINC000587670401 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc([N+](=O)[O-])cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670417 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3nn(Cc4ccc(C)cc4)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587670421 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3ccccc3Cn3nc(C)c([N+](=O)[O-])c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670434 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)CCCCCC4)c(=O)c3ccccc23)cc1OCC ZINC000587670450 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587670458 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587670461 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587670462 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587670463 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587670464 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587670465 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587670466 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 ZINC000587670467 KK Annotated Reactive CCOc1ccc(-c2nn(-c3nc4ccccc4nc3Cc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670470 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587670485 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)c3cc(OC)ccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670490 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3Cc3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670494 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccc([N+](=O)[O-])c4)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587670498 KK Annotated Bother CCN(CC)c1ccc(-c2nn(C(=O)c3sc4cc(C)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587670506 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670510 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cc(C)ccc4C(C)C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670511 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670512 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670514 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587670516 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(Nc4cccc(OC)c4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587670522 KK Annotated Anodyne CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c1 ZINC000587670533 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3cc(Br)ccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670534 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670536 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670539 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCc3nnc(-c4ccc(C)cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670540 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3-c3nc(-c4cccc(F)c4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587670548 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4cc(Br)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587670549 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccccc4Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670560 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670575 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670576 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(Br)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670579 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4o3)c(=O)c3ccccc23)cc1OCC ZINC000587670589 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4cc(F)ccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587670590 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670596 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)-c3ccccc3OC4)c(=O)c3ccccc23)cc1OCC ZINC000587670597 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4ccc5ccccc5c4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670600 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670602 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670604 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(OC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670606 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670608 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(-c4c(C)nc5ccccn45)cs3)c(=O)c3ccccc23)c(O)c1 ZINC000587670623 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Br)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670661 KK Annotated Anodyne CCc1ccc2c(Cl)c(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)sc2c1 ZINC000587670663 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670668 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670671 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](C)Br)N1 ZINC000587670673 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](C)Br)N1 ZINC000587670675 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(OC)c(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670682 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587670691 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587670693 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)C)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670694 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587670695 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587670697 KK Annotated Reactive CCOc1ccc(-c2nn(C(=S)Nc3cccc(NC(C)=O)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670700 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4c(C)cccc4C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670702 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cccc(COc4cccc5ccccc45)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670710 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3c(Cl)cccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587670713 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670725 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(-c4ccc(Br)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587670740 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Cl)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670741 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(OC)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670744 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(Br)cc4Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670757 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670758 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670759 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670763 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(-c4ccc(Cl)cc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587670767 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4ccccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587670778 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670781 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)cc4C)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670792 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587670794 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cnn(CC)c4C)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670797 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670802 KK Annotated Clean CCOc1ccc(-c2nn(-c3ccc(S(C)(=O)=O)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587670803 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3scc(Br)c3Br)c(=O)c3ccccc23)c(O)c1 ZINC000587670807 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3I)c(=O)c3ccccc23)cc1OCC ZINC000587670809 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccc(OCC(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670819 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670820 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(-c4ccc(Br)cc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670824 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670831 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O ZINC000587670835 KK Annotated Mild CCOc1ccc(-c2nn(-c3ccc(Br)cc3[N+](=O)[O-])c(=O)c3ccccc23)cc1OCC ZINC000587670838 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670846 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(OC)c(OC)c(OC)c4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670849 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccc(C)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587670857 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccccc3F)c(=O)c3ccccc23)cc1OCC ZINC000587670874 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(I)cc4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587670877 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cnn(-c4ccc(F)cc4)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587670880 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587670891 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670917 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587670918 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4cc(C)ccc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670919 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3ccnc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1OCC ZINC000587670920 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587670921 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587670922 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(NS(=O)(=O)c4cccs4)cc(NS(=O)(=O)c4cccs4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670924 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587670927 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587670930 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccco4)nc4c3c(C)nn4C)c(=O)c3ccccc23)cc1OCC ZINC000587670942 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670945 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587670946 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Br)([C@@H](C)Br)N1 ZINC000587670947 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Br)([C@@H](C)Br)N1 ZINC000587670949 KK Annotated Reactive CCOc1ccc(-c2nn(-c3ccc(S(=O)(=O)NC4CCCCCCC4)cn3)c(=O)c3ccccc23)cc1OCC ZINC000587670974 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587670987 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587670989 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587670992 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587670993 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587670994 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cccc(S(=O)(=O)NCc4ccccc4)c3)c(=O)c3ccccc23)cc1OCC ZINC000587670998 KK Annotated Anodyne CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671008 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671009 KK Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671010 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671011 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671012 KK Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671013 KK Annotated Reactive CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671014 KK Annotated Reactive CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587671015 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671031 KK Annotated Bother CCOc1ccc(-c2nn(C(=O)Cc3nc(-c4ccccc4)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587671047 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587671057 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587671059 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587671060 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587671061 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccc(Cl)cc4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587671082 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587671094 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587671096 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671097 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671098 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671115 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OCc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671120 KK Annotated Anodyne CCOc1ccc(CC(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1OCC ZINC000587671128 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671134 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)cc(C)nc21 ZINC000587671145 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C(C)(C)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671149 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(Br)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671150 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671153 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c(=O)c3ccccc23)cc1OCC ZINC000587671155 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc(-c4ccccc4)cc3N)c(=O)c3ccccc23)c(O)c1 ZINC000587671160 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc(Br)c(Br)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671170 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccccc4C)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671176 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Br)o3)c(=O)c3ccccc23)cc1OCC ZINC000587671179 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587671189 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)c(=O)c3ccccc23)c(O)c1 ZINC000587671193 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4OC(F)F)n3CC)c(=O)c3ccccc23)cc1OCC ZINC000587671201 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671202 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(Cl)cccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671204 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(-c4ccc5c(c4)OCCCO5)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671209 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Nc3ccc(Br)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671213 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OCC(=O)Nc3ccc(SC(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671216 KK Annotated Anodyne CCCOC(=O)c1ccc(OCC(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587671223 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671227 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(F)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671235 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671238 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C34C[C@@H]5C[C@H](C3)CC(n3nnc(-c6ccccc6)n3)(C5)C4)c(=O)c3ccccc23)cc1OCC ZINC000587671241 KK Annotated Anodyne CCCCOc1ccc(C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1OC ZINC000587671242 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(F)ccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671250 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(C)nc4c3c(C)nn4-c3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671255 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587671261 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(Nc4ccc(C)cc4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671262 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(C)nc4sc(-c5ccccc5)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587671263 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587671264 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671270 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3c(Cl)cc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671283 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671294 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccc(Br)cc3C(=O)O)c(=O)c3ccccc23)cc1OCC ZINC000587671297 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C3(c4ccc(Br)cc4)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587671298 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671303 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671304 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Br)([C@@H](C)Br)N1 ZINC000587671305 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Br)([C@@H](C)Br)N1 ZINC000587671306 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc4c(s3)-c3ccccc3CC4)c(=O)c3ccccc23)cc1OCC ZINC000587671307 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587671315 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3csc(C)c3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671323 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(Cl)ccc(Cl)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671325 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3COc3ccc(F)cc3F)c(=O)c3ccccc23)cc1OCC ZINC000587671326 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671334 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)Sc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671336 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4cc(C)ccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671337 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)Sc3nc4ccccc4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671340 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4scc(-c5ccc(C)cc5)c34)c(=O)c3ccccc23)cc1OCC ZINC000587671342 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(Cl)ccc(Cl)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671345 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)cc4Cl)o3)c(=O)c3ccccc23)cc1OCC ZINC000587671346 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)-c3ccccc3OC4)c(=O)c3ccccc23)c(O)c1 ZINC000587671351 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccccc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671352 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3cc(OC)c(OC)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671354 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccc(Br)c4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587671355 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccccc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671356 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(F)c(Cl)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671358 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671361 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)N1 ZINC000587671363 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)[C@@H](Br)c2ccccc2)N1 ZINC000587671364 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)N1 ZINC000587671365 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)[C@H](Br)c2ccccc2)N1 ZINC000587671366 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc4ccccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587671372 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc4ccccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587671376 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671378 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4Br)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671387 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4ccc(OC)c(F)c4)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587671389 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4c(F)c(F)cc(F)c4F)o3)c(=O)c3ccccc23)cc1OCC ZINC000587671392 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3cc(Cl)ccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587671394 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671395 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(CSc4nc5ccccc5s4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671398 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sccc3OCc3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671400 KK Annotated Anodyne CCc1ccc(-c2nc(C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cs2)cc1 ZINC000587671416 KK Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cnc2s1 ZINC000587671421 KK Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccc(N(CC)CC)cc4O)c4ccccc4c3=O)cnc2s1 ZINC000587671422 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(Br)cccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671428 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671433 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)Cc3ccccc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671434 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671437 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccn(COc4ccc(Cl)cc4Br)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671438 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c(s3)CCCCCC4)c(=O)c3ccccc23)c(O)c1 ZINC000587671439 KK Annotated Anodyne CCc1sc(C(=O)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1Br ZINC000587671443 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=S)Nc3ccc(Oc4ccccc4)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671446 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671455 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccncc4)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)c(O)c1 ZINC000587671460 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccccc3C)c(=O)c3ccccc23)c(O)c1 ZINC000587671463 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(Nc4cccc(OC)c4)s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671464 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4scc(-c5ccc(OC)cc5)c34)c(=O)c3ccccc23)cc1OCC ZINC000587671469 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 ZINC000587671503 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 ZINC000587671504 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 ZINC000587671505 KK Annotated Reactive CCOc1ccc(OCC)c(NC(=S)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)c1 ZINC000587671506 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 ZINC000587671507 KK Annotated Reactive CCN(CC)c1ccc(-c2nn(-c3nc(C)nc4sc(-c5ccccc5)cc34)c(=O)c3ccccc23)c(O)c1 ZINC000587671508 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cl)c(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671510 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671511 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Cn3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671513 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=S)n2nc(-c3ccc(N(CC)CC)cc3O)c3ccccc3c2=O)cc1 ZINC000587671515 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3sc4cc(Cl)ccc4c3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587671517 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CSc4nc5ccccc5[nH]4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671521 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587671532 KK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3CC)c(=O)c3ccccc23)c(O)c1 ZINC000587671533 KK Annotated Anodyne C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671534 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587671535 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(Br)cc4)[nH]n3)c(=O)c3ccccc23)cc1OCC ZINC000587671536 KK Annotated Anodyne C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587671537 KK Annotated Reactive CCN(CC)c1ccc(-c2nn(C(=O)CSCc3ccccc3Cl)c(=O)c3ccccc23)c(O)c1 ZINC000587671538 KK Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)cnc2s1 ZINC000587671539 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(Cn4nc(C)c(Br)c4C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671540 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCn3nc(C)c(Br)c3C)c(=O)c3ccccc23)cc1OCC ZINC000587671541 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc(C)nc4sc5c(c34)CCCC5)c(=O)c3ccccc23)c(O)c1 ZINC000587671542 KK Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccc(OCC)c(OCC)c4)c4ccccc4c3=O)cnc2s1 ZINC000587671543 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc4ccc(Cl)cc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587671544 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc(C)cc3Br)c(=O)c3ccccc23)cc1OCC ZINC000587671556 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(-c3nc4c(OC)ccc(Cl)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671562 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(Cl)cc3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587671563 KK Annotated Anodyne CCN(CC)c1ccc(-c2nn(C(=O)c3cc4c5ccccc5n(C)c4s3)c(=O)c3ccccc23)c(O)c1 ZINC000587671566 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587671578 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671579 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 ZINC000587671580 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587671581 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671595 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671596 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671597 KK Annotated Reactive COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587671598 KK Annotated Reactive CCOc1ccc(-c2nn(-c3ncnc4sc(-c5ccccc5)cc34)c(=O)c3ccccc23)cc1OCC ZINC000587671600 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nnn(-c4ccc(F)cc4)c3-n3cccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671634 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)c(=O)c3ccccc23)cc1OCC ZINC000587671638 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3Oc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671640 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(Br)cc(I)c3OC)c(=O)c3ccccc23)cc1OCC ZINC000587671642 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3[C@@H](C)CC)c(=O)c3ccccc23)cc1OCC ZINC000587671648 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3[C@H](C)CC)c(=O)c3ccccc23)cc1OCC ZINC000587671649 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc(-c4ccc(F)cc4)cc3N)c(=O)c3ccccc23)cc1OCC ZINC000587671653 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(N)sc3-c3cccc(F)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671663 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(I)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671665 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587671670 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587671673 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587671674 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587671675 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(F)cc(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671688 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(F)c(Cl)c4)o3)c(=O)c3ccccc23)cc1OCC ZINC000587671689 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccccc3Cc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671703 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671708 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671710 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671711 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671712 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(OC)c(I)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671727 KK Annotated Anodyne COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587671746 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587671749 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587671750 KK Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587671751 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671755 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671758 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3cc(C)ccc3C(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587671761 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671766 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587671775 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc4oc5c(c4c3)CCCC5)c(=O)c3ccccc23)cc1OCC ZINC000587671777 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587671778 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587671779 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587671780 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)COc3ccc(-c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671801 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587671802 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587671804 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587671805 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587671807 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4OC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671814 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4cccc5cccnc45)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671842 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)C(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671852 KK Annotated Anodyne COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671854 KK Annotated Reactive COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671855 KK Annotated Reactive COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671856 KK Annotated Reactive COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587671857 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)C3CCN(C(=O)c4cc(F)c(Cl)cc4F)CC3)c(=O)c3ccccc23)cc1OCC ZINC000587671861 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671866 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671869 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(=O)c3ccccc23)cc1OCC ZINC000587671870 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671871 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587671873 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671889 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671891 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671892 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 ZINC000587671893 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587671903 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587671910 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587671912 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4ccccc4)n3-c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671914 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587671915 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587671936 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587671942 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587671943 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587671944 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587671945 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587671946 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587671947 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587671949 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587671950 KK Annotated Reactive COc1cc(Br)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587671951 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587671952 KK Annotated Reactive COc1cc(Br)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587671953 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nccc(-c4ccc(OC)cc4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587671963 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4ccccc4c3-n3cccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671970 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(Nc4ccc(C)cc4)s3)c(=O)c3ccccc23)cc1OCC ZINC000587671976 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nnc(SCc4ccccc4Cl)s3)c(=O)c3ccccc23)cc1OCC ZINC000587671977 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(C(Br)Br)(C(Br)Br)N1 ZINC000587671981 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2C(C(Br)Br)(C(Br)Br)N1 ZINC000587671982 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3sc(-c4ccc(OC)cc4)cc3N)c(=O)c3ccccc23)cc1OCC ZINC000587671984 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc(-c4ccc(Cl)cc4)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587671988 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587671993 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc(-c4c(C)nc5ccccn45)cs3)c(=O)c3ccccc23)cc1OCC ZINC000587671996 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NC(c3ccccc3)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587671999 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Sc3nc4ccccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672014 KK Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672018 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@@H](C)Sc3nc4ccccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672019 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncnc4cc(-c5ccc(Br)cc5)sc34)c(=O)c3ccccc23)cc1OCC ZINC000587672021 KK Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672022 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672023 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587672025 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3sc(-c4ccccc4)nc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672035 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4cc(Cl)ccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672039 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Br)=CC(Br)(Br)C=C2Br ZINC000587672044 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Br)=CC(Br)(Br)C=C2Br ZINC000587672046 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3scc(Br)c3Br)c(=O)c3ccccc23)cc1OCC ZINC000587672047 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587672071 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587672074 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587672078 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)C(C)(C)Br)N1 ZINC000587672081 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CSc4nc(C)cc(C)n4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672085 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nc4c(OC)ccc(Cl)c4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672092 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4cccs4)nc4onc(-c5ccccc5)c34)c(=O)c3ccccc23)cc1OCC ZINC000587672096 KK Annotated Anodyne COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672107 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672110 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672112 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587672114 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(SCc4cccc5ccccc45)s3)c(=O)c3ccccc23)cc1OCC ZINC000587672118 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CSc3nc4ccccc4n3C)c(=O)c3ccccc23)cc1OCC ZINC000587672120 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672127 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672128 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672129 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587672130 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587672163 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587672164 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587672165 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587672166 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587672167 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587672168 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587672169 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587672170 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr ZINC000587672203 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr ZINC000587672204 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr ZINC000587672205 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr ZINC000587672206 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3sc4cc(CC)ccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672213 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672230 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3sccc3OCc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672234 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672241 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672242 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672243 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587672244 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3sc(-c4ccc(Cl)cc4)cc3N)c(=O)c3ccccc23)cc1OCC ZINC000587672245 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587672246 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587672247 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587672248 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672249 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672250 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672251 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587672252 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672253 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587672254 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 ZINC000587672256 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 ZINC000587672258 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587672267 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587672268 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587672269 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 ZINC000587672270 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587672276 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 ZINC000587672277 KK Annotated Reactive C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672278 KK Annotated Reactive C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672279 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CSc3nnc(-c4cc(C)n(C)n4)n3CC(C)C)c(=O)c3ccccc23)cc1OCC ZINC000587672280 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CN4c5cccc6cccc(c56)S4(=O)=O)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672290 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc([C@@H](C)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672291 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc([C@H](C)CC)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672292 KK Annotated Anodyne CCOc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587672294 KK Annotated Anodyne CCOc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)cc1 ZINC000587672295 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sc4cc(Br)ccc4c3Cl)c(=O)c3ccccc23)cc1OCC ZINC000587672305 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ncccc3-c3nc(-c4ccc(F)cc4)no3)c(=O)c3ccccc23)cc1OCC ZINC000587672312 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)NCCCN(C)c3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672317 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3sccc3-c3ccc(C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672319 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccccc3OCCOc3ccccc3)c(=O)c3ccccc23)cc1OCC ZINC000587672323 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)COc3ccc4cc(OC)ccc4c3)c(=O)c3ccccc23)cc1OCC ZINC000587672326 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672333 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Nc3nc4ccccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672338 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Nc3nc4ccccc4s3)c(=O)c3ccccc23)cc1OCC ZINC000587672339 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=S)Nc3ccc(SC(F)F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672359 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587672393 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587672398 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587672400 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587672402 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3cc(OCC)c(OCC)c(OCC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672409 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3nc(N)sc3-c3ccc(F)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672413 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OC(C)C)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672428 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CC34C[C@@H]5C[C@H](C3)CC(c3c(C)noc3C)(C5)C4)c(=O)c3ccccc23)cc1OCC ZINC000587672429 KK Annotated Anodyne CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587672439 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587672440 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587672443 KK Annotated Reactive CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587672444 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587672459 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587672464 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587672465 KK Annotated Reactive C=CCc1ccc(O[C@@H](C)C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c(OC)c1 ZINC000587672466 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587672467 KK Annotated Reactive C=CCc1ccc(O[C@H](C)C(=O)n2nc(-c3ccc(OCC)c(OCC)c3)c3ccccc3c2=O)c(OC)c1 ZINC000587672468 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587672472 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCC(=O)Nc3cc(C)ccc3C)c(=O)c3ccccc23)cc1OCC ZINC000587672477 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587672483 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587672484 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587672485 KK Annotated Reactive COc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672490 KK Annotated Reactive COc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672491 KK Annotated Reactive COc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672492 KK Annotated Reactive COc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672493 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(F)c(Br)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672520 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C(C)C)cc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672552 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(=O)c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672555 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(=O)c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672557 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)CCCCCCCCCCC(=O)NN)c(=O)c3ccccc23)cc1OCC ZINC000587672565 KK Annotated Reactive CCCOc1c(Br)cc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672580 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672587 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672588 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587672589 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587672608 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587672613 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587672614 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587672615 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587672648 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587672651 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587672652 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587672653 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672690 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)(C)c4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672691 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587672699 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587672700 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587672702 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587672704 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc(C)cc4C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672715 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587672719 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)CCCc3ccc4ccc5cccc6ccc3c4c56)c(=O)c3ccccc23)cc1OCC ZINC000587672722 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587672723 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587672725 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccc5c(c4)CCC5)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672726 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587672727 KK Annotated Reactive CCOc1ccc(-c2nn(C(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672734 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672735 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(COc4ccccc4)cc3)c(=O)c3ccccc23)cc1OCC ZINC000587672737 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3nccc(-c4ccc(OC)c(F)c4)n3)c(=O)c3ccccc23)cc1OCC ZINC000587672739 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3ccc(OCCC(C)C)c(OC)c3)c(=O)c3ccccc23)cc1OCC ZINC000587672757 KK Annotated Anodyne CCOc1ccc(-c2nn(C(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)c(=O)c3ccccc23)cc1OCC ZINC000587672759 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672769 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672770 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672771 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 ZINC000587672772 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(Br)(Br)C=C2C(C)(C)C ZINC000587672781 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(Br)(Br)C=C2C(C)(C)C ZINC000587672782 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672787 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672788 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672789 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587672790 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587672813 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587672814 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587672815 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587672816 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)N1 ZINC000587672817 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)N1 ZINC000587672818 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 ZINC000587672819 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 ZINC000587672820 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587672829 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587672830 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587672831 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587672832 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587672861 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587672862 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587672893 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587672895 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587672907 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587672908 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587672909 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587672910 KK Annotated Reactive COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587672939 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587672944 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587672946 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587672949 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(Br)(Br)C=C2C(C)(C)C ZINC000587672959 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(Br)(Br)C=C2C(C)(C)C ZINC000587672960 KK Annotated Anodyne COc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672965 KK Annotated Reactive COc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672966 KK Annotated Reactive COc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672967 KK Annotated Reactive COc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] ZINC000587672968 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673071 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673072 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673073 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587673074 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673095 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673096 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673097 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587673098 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587673111 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587673112 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587673113 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 ZINC000587673114 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673115 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673116 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673117 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673118 KK Annotated Reactive COc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Br ZINC000587673141 KK Annotated Clean COc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Br ZINC000587673142 KK Annotated Clean COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Br ZINC000587673143 KK Annotated Clean COc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1Br ZINC000587673144 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587673149 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587673150 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587673151 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 ZINC000587673152 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587673157 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587673158 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587673159 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 ZINC000587673160 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673193 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673194 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673195 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673196 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673197 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673198 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673199 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673200 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673201 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673202 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673203 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673204 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673205 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673206 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673207 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673208 KK Annotated Reactive COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587673253 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587673256 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587673257 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587673258 KK Annotated Anodyne COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673335 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673336 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673337 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587673338 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673343 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673344 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673346 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587673349 KK Annotated Reactive COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587673373 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587673374 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587673375 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Br)cc(Br)cc1Br ZINC000587673376 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673431 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673432 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673433 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 ZINC000587673434 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587673465 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587673466 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587673467 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 ZINC000587673468 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673473 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673474 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673475 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673476 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673537 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673538 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673539 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587673540 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587673541 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587673542 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587673543 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587673544 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587673557 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587673558 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587673559 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587673560 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587673593 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587673594 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587673595 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587673596 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673607 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673608 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673609 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587673610 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587673612 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587673624 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587673625 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587673626 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)N1 ZINC000587673635 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)N1 ZINC000587673636 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 ZINC000587673637 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 ZINC000587673638 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673655 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673656 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673658 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673660 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673707 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673708 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673710 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)cc(Br)c2O)N1 ZINC000587673712 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587673785 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587673786 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587673787 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587673788 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673811 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673812 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673813 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587673814 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587673835 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587673836 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587673837 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587673838 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587673859 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587673860 KK Annotated Reactive COc1cc(Cl)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587673861 KK Annotated Reactive COc1cc(Cl)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587673862 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587673869 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587673870 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587673871 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 ZINC000587673872 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587673877 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587673878 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587673879 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587673880 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673885 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673886 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673887 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)cc(Br)c2N)N1 ZINC000587673888 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587673921 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587673922 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587673923 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 ZINC000587673924 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587673929 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587673930 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587673931 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587673932 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@]2(Br)c1ccc(Cl)cc1 ZINC000587674051 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@]2(Br)c1ccc(Cl)cc1 ZINC000587674054 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@]2(Br)c1ccc(Cl)cc1 ZINC000587674055 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@]2(Br)c1ccc(Cl)cc1 ZINC000587674056 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674072 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674080 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674081 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674082 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587674087 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587674089 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587674092 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 ZINC000587674094 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587674129 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587674130 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587674131 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(CBr)cc2)N1 ZINC000587674132 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587674139 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587674140 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587674141 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 ZINC000587674143 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587674195 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587674196 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587674197 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 ZINC000587674198 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587674199 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587674200 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587674201 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2O)N1 ZINC000587674202 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587674203 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587674204 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587674205 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 ZINC000587674206 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587674223 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587674224 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587674225 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 ZINC000587674226 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587674231 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587674232 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587674233 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587674234 KK Annotated Reactive COc1cc(Br)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587674235 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587674236 KK Annotated Reactive COc1cc(Br)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587674237 KK Annotated Reactive COc1cc(Br)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587674238 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587674331 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587674332 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587674333 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 ZINC000587674334 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587674335 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587674336 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587674337 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 ZINC000587674338 KK Annotated Reactive COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587674343 KK Annotated Anodyne COc1cc(C)c([C@@]2(c3c(OC)ccc(Br)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587674344 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587674345 KK Annotated Anodyne COc1cc(C)c([C@]2(c3c(OC)ccc(Br)c3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587674346 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587674347 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587674348 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587674349 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 ZINC000587674350 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674359 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674360 KK Annotated Reactive COc1ccc(Br)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674361 KK Annotated Reactive COc1ccc(Br)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587674362 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Br)=CC(Br)(Br)C=C2Br ZINC000587674422 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Br)=CC(Br)(Br)C=C2Br ZINC000587674424 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587674427 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587674428 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587674430 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 ZINC000587674432 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674473 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674474 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674475 KK Annotated Reactive COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587674476 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587674513 KK Annotated Reactive Cc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587674514 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587674515 KK Annotated Reactive Cc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587674516 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr ZINC000587674517 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr ZINC000587674518 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr ZINC000587674521 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr ZINC000587674523 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587674529 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587674530 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587674531 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587674532 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587674573 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587674574 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587674575 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 ZINC000587674576 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674589 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674590 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674591 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 ZINC000587674592 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587674625 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587674626 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587674627 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 ZINC000587674628 KK Annotated Reactive COc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Br ZINC000587674641 KK Annotated Clean COc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Br ZINC000587674642 KK Annotated Clean COc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Br ZINC000587674643 KK Annotated Clean COc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1Br ZINC000587674644 KK Annotated Clean COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587674653 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587674654 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587674655 KK Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587674656 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587674691 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587674692 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587674693 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Br)cc(Br)cc3Br)o2)N1 ZINC000587674694 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@]2(Br)c1ccc(Cl)cc1 ZINC000587674700 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@]2(Br)c1ccc(Cl)cc1 ZINC000587674704 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@]2(Br)c1ccc(Cl)cc1 ZINC000587674705 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@]2(Br)c1ccc(Cl)cc1 ZINC000587674706 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587675315 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587675316 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587675317 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587675318 KK Annotated Clean Cc1ccc([C@]2(Cc3ccccc3Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587675319 KK Annotated Anodyne Cc1ccc([C@]2(Cc3ccccc3Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587675320 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587675321 KK Annotated Anodyne Cc1ccc([C@@]2(Cc3ccccc3Br)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587675322 KK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675323 KK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675324 KK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675325 KK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587675326 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587675525 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587675526 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587675528 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587675530 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587675531 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587675534 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587675536 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587675538 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587675539 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587675540 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587675543 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587675545 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587675561 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587675564 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587675565 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587675566 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587675586 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587675587 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587675588 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587675589 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Br)c1C ZINC000587675671 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Br)c1C ZINC000587675674 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Br)c1C ZINC000587675675 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(Br)c1C ZINC000587675676 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Br)c1 ZINC000587675690 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Br)c1 ZINC000587675697 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Br)c1 ZINC000587675699 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Br)c1 ZINC000587675700 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675721 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675722 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675723 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587675725 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587675758 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675765 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675766 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675767 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587675768 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587675769 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587675770 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587675771 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587675772 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587675773 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587675774 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587675775 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587675776 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Br)cc1 ZINC000587675777 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Br)cc1 ZINC000587675778 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Br)cc1 ZINC000587675779 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Br)cc1 ZINC000587675780 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587675781 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587675782 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587675783 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587675784 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587675789 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587675791 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587675793 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587675962 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587675963 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587675964 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587675965 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Br ZINC000587675986 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Br ZINC000587675987 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Br ZINC000587675988 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Br ZINC000587675989 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587675990 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587675994 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587675995 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587675996 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587676004 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587676005 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587676006 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587676007 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587676008 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587676009 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587676011 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587676013 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587676016 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587676017 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587676018 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587676019 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587676020 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587676021 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587676023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587676026 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587676035 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Br)c1 ZINC000587676037 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Br)c1 ZINC000587676038 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Br)c1 ZINC000587676039 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Br)c1 ZINC000587676040 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587676041 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587676043 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587676044 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587676045 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587676053 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587676055 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587676057 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587676060 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587676063 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676066 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676070 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676072 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676074 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587676075 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587676078 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587676080 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587676081 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676101 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676102 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676103 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676104 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676105 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676106 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676107 KK Annotated Anodyne CCCOc1c(Br)cc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676108 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676115 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676116 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676117 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676118 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)cc12 ZINC000587676119 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)cc12 ZINC000587676122 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)cc12 ZINC000587676124 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)cc12 ZINC000587676127 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587676130 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587676135 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587676136 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587676137 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Br)cc1 ZINC000587676146 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Br)cc1 ZINC000587676147 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Br)cc1 ZINC000587676148 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Br)cc1 ZINC000587676149 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676214 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676215 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676216 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676217 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676242 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676243 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676244 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676245 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587676246 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587676247 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587676248 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587676249 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587676258 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587676259 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587676260 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587676261 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587676274 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587676275 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2Br)N1 ZINC000587676282 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2Br)N1 ZINC000587676283 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2Br)N1 ZINC000587676284 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2Br)N1 ZINC000587676285 KK Annotated Clean COc1cc(Br)c(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676298 KK Annotated Clean COc1cc(Br)c(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676299 KK Annotated Clean COc1cc(Br)c(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676300 KK Annotated Clean COc1cc(Br)c(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587676301 KK Annotated Clean COc1cc(Br)c(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587676310 KK Annotated Clean COc1cc(Br)c(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587676311 KK Annotated Clean COc1cc(Br)c(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587676312 KK Annotated Clean COc1cc(Br)c(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587676313 KK Annotated Clean CCCCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676322 KK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676323 KK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676324 KK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587676325 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587676358 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587676359 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587676360 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587676361 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676362 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676363 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676364 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676365 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587676382 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587676383 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587676384 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587676385 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)c1ccccc1 ZINC000587676386 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)c1ccccc1 ZINC000587676387 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)c1ccccc1 ZINC000587676388 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)c1ccccc1 ZINC000587676389 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587676408 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587676409 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587676410 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587676411 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Br)cc1 ZINC000587676416 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Br)cc1 ZINC000587676417 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Br)cc1 ZINC000587676418 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Br)cc1 ZINC000587676419 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587676428 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587676429 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587676430 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587676431 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587676432 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587676433 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587676434 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587676435 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587676438 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587676439 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587676440 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587676441 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587676442 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587676443 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587676444 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587676445 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587676446 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587676447 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587676448 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587676449 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587676458 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587676459 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587676460 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587676461 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587676466 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587676467 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587676468 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587676469 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587676470 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587676471 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587676476 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587676477 KK Annotated Anodyne Cc1ccccc1/C=C/[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676496 KK Annotated Anodyne Cc1ccccc1/C=C\[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676497 KK Annotated Anodyne Cc1ccccc1/C=C\[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676498 KK Annotated Anodyne Cc1ccccc1/C=C/[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676499 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676516 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676517 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676518 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587676519 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676525 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676527 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676530 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676532 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587676554 KK Annotated Anodyne Cc1cc(Br)ccc1C(=O)N1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587676556 KK Annotated Anodyne CCN(/C=C/[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587676558 KK Annotated Clean Cc1ccc([C@]2(Cc3ccccc3Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587676559 KK Annotated Anodyne CCN(/C=C\[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587676560 KK Annotated Clean Cc1ccc([C@]2(Cc3ccccc3Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587676561 KK Annotated Anodyne CCN(/C=C/[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587676562 KK Annotated Clean Cc1ccc([C@@]2(Cc3ccccc3Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587676563 KK Annotated Anodyne CCN(/C=C\[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21)CC ZINC000587676564 KK Annotated Clean Cc1ccc([C@@]2(Cc3ccccc3Br)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587676565 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587676567 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587676570 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587676572 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587676574 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587676594 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587676596 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587676598 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587676600 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676602 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676606 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676608 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676610 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676650 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676651 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676652 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587676653 KK Annotated Clean COc1c(Br)cc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676670 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676671 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676672 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587676673 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587676678 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587676679 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)N1 ZINC000587676684 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)N1 ZINC000587676685 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Br)cc1 ZINC000587676710 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Br)cc1 ZINC000587676711 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Br)cc1 ZINC000587676712 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Br)cc1 ZINC000587676713 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676718 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676719 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676720 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676721 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Br)cc1 ZINC000587676726 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Br)cc1 ZINC000587676727 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Br)cc1 ZINC000587676728 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Br)cc1 ZINC000587676729 KK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587676755 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587676757 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587676758 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587676759 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676787 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676789 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676791 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccccc2C(N)=O)(c2ccc(Br)cc2)N1 ZINC000587676793 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587676796 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587676798 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587676800 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587676802 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1Br ZINC000587676806 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1Br ZINC000587676807 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1Br ZINC000587676808 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1Br ZINC000587676810 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587676823 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587676824 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587676825 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587676827 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587676837 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587676840 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587676841 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587676842 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587676876 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587676878 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587676879 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587676880 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676887 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676888 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676889 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccc1 ZINC000587676890 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676898 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676901 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676903 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587676905 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587676910 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587676912 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587676914 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587676916 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676935 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676936 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676937 KK Annotated Anodyne COc1c(Br)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587676938 KK Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587676953 KK Annotated Anodyne COc1cc(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587676954 KK Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587676955 KK Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccccc1 ZINC000587676956 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587676966 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587676967 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587676968 KK Annotated Reactive Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br ZINC000587676970 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587676980 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587676981 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587676983 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587676984 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587676989 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587676990 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587676991 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccccc3Br)c2)N1 ZINC000587676992 KK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587676994 KK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587676995 KK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587676996 KK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587676998 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587677004 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587677005 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587677006 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587677007 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587677078 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587677079 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587677080 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3ncccn23)N1 ZINC000587677081 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587677094 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587677095 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587677096 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 ZINC000587677097 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587677098 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587677104 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587677106 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587677109 KK Annotated Reactive C[C@H](C(=O)c1ccc(Br)cc1)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677111 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](C)C(=O)c2ccc(Br)cc2)N1 ZINC000587677113 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](C)C(=O)c2ccc(Br)cc2)N1 ZINC000587677115 KK Annotated Anodyne C[C@H](C(=O)c1ccc(Br)cc1)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677117 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587677133 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587677139 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587677141 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587677144 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587677147 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587677150 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587677152 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587677154 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587677161 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587677162 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587677165 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587677168 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587677169 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587677171 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587677172 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677173 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OC(C)=O ZINC000587677174 KK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677185 KK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677187 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677189 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677211 KK Annotated Anodyne CCOC(=O)c1ccccc1C(=C1C=C(Br)C2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(Br)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587677216 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677223 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677225 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677228 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1Br ZINC000587677237 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1Br ZINC000587677240 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2c1ccccc1Br ZINC000587677242 KK Annotated Anodyne CCOC(=O)c1ccccc1C(=C1C=C(Br)C2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(Br)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587677244 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2c1ccccc1Br ZINC000587677246 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587677262 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587677268 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587677271 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587677273 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccn1 ZINC000587677275 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccn1 ZINC000587677280 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccn1 ZINC000587677283 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1ccccn1 ZINC000587677288 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587677299 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587677314 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587677318 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587677321 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Br ZINC000587677340 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Br ZINC000587677342 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Br ZINC000587677343 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Br ZINC000587677345 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Br)c2)cc1 ZINC000587677357 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Br)c2)cc1 ZINC000587677361 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(Br)c2)cc1 ZINC000587677362 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(Br)c2)cc1 ZINC000587677363 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587677364 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587677365 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587677366 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OC(C)=O ZINC000587677368 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587677377 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587677379 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587677381 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587677383 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587677390 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587677392 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587677393 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587677395 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587677408 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587677409 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587677410 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587677411 KK Annotated Anodyne CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677440 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677441 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677442 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677443 KK Annotated Reactive Cc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587677460 KK Annotated Anodyne Cc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587677461 KK Annotated Anodyne Cc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587677462 KK Annotated Anodyne Cc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587677463 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677493 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677497 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677498 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677499 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677500 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677502 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677503 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677504 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587677517 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587677518 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587677519 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587677520 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587677558 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677561 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587677562 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587677563 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677564 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587677565 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677566 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677568 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587677577 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587677578 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587677580 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587677581 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587677583 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587677590 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677595 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587677596 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587677598 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677600 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677603 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677606 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587677616 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587677619 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587677620 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587677623 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)OC(C)(C)C)(c2ccc(Br)cc2)N1 ZINC000587677626 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587677628 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587677632 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587677634 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587677636 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587677638 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587677639 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587677641 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587677642 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587677643 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587677645 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587677646 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Br)cc2Br)N1 ZINC000587677647 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587677648 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587677650 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587677653 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677655 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677666 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677670 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677674 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587677676 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000587677689 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H]([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587677694 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587677697 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587677705 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587677710 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587677714 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587677717 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587677721 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587677738 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587677744 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587677749 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587677755 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587677759 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587677763 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587677767 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(Br)c2OCc2ccccc2)N1 ZINC000587677769 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587677772 KK Annotated Reactive COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Br)c1C ZINC000587677776 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587677777 KK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Br)c1C ZINC000587677779 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587677781 KK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Br)c1C ZINC000587677783 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677785 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(Br)c1C ZINC000587677786 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677788 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677790 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587677791 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677792 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677794 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CNc2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587677795 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587677796 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677798 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587677799 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587677800 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677802 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587677804 KK Annotated Reactive CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677805 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677807 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587677809 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677811 KK Annotated Anodyne CC(=O)NCC(=O)Nc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587677813 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587677814 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587677818 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587677840 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587677852 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587677854 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587677856 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccn1 ZINC000587677887 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccn1 ZINC000587677890 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccn1 ZINC000587677893 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccn1 ZINC000587677895 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677896 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677897 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677898 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cnn2Cc2ccc(Cl)cc2)N1 ZINC000587677899 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587677900 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587677901 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587677902 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587677903 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677916 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677917 KK Annotated Anodyne COc1ccc(Br)c2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677918 KK Annotated Anodyne COc1ccc(Br)c2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cn(C(=O)OC(C)(C)C)c12 ZINC000587677919 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587677928 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587677929 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587677930 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587677931 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677932 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677933 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677934 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587677935 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587677936 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587677937 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587677938 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587677939 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587677952 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587677953 KK Annotated Anodyne Cc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587677954 KK Annotated Anodyne Cc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587677955 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677964 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677965 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677966 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587677967 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587677976 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587677977 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587677978 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587677979 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587677984 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587677985 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587677986 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587677987 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587678066 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587678069 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587678073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678077 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678078 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678080 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678082 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2OCC(=O)O)N1 ZINC000587678088 KK Annotated Anodyne COc1cc(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587678101 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587678102 KK Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587678103 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587678104 KK Annotated Anodyne COc1cc(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587678105 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587678106 KK Annotated Anodyne COc1cc(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccccc1 ZINC000587678107 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)O)c2)N1 ZINC000587678108 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587678124 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587678128 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587678130 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Br)c1 ZINC000587678132 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587678133 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Br)c1 ZINC000587678134 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Br)c1 ZINC000587678136 KK Annotated Anodyne Cc1cc(C)cc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Br)c1 ZINC000587678139 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678141 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678142 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587678144 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587678145 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587678146 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3CCCC3)c3ccc(Br)cc23)N1 ZINC000587678147 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678148 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678150 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678151 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678157 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678159 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678162 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678172 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678174 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678177 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3cccc(Br)c3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587678179 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587678192 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587678195 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587678197 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587678199 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587678214 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587678215 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587678216 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(OCc3ccccc3)c(Br)c2)N1 ZINC000587678217 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(NC(=O)OC(C)(C)C)(c3ccc(Br)cc3)C2)N1 ZINC000587678223 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587678227 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587678228 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(NC(=O)OC(C)(C)C)(c3ccc(Br)cc3)C2)N1 ZINC000587678229 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587678231 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccncc3)nc2-c2ccccc2Br)N1 ZINC000587678233 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587678242 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587678245 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587678248 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587678251 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587678255 KK Annotated Clean CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587678256 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587678260 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587678262 KK Annotated Clean CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587678263 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587678265 KK Annotated Clean CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587678266 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587678268 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587678270 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587678272 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587678273 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587678274 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587678275 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587678281 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587678285 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587678287 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587678289 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587678294 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587678297 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587678300 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587678301 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587678303 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587678306 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587678307 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587678309 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587678311 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678319 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678321 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678323 KK Annotated Anodyne CCOC(=O)[C@H](CC(=O)c1ccc(Br)cc1)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678325 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678336 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587678337 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587678338 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587678339 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587678340 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678341 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678343 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678346 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587678374 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587678376 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587678378 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587678379 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678384 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678385 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678386 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(Br)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587678387 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587678396 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587678397 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587678398 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587678399 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587678404 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587678405 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587678406 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3cccc(Br)c3)cc2)N1 ZINC000587678407 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587678428 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587678429 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587678430 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587678431 KK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1[N+](=O)[O-] ZINC000587678436 KK Annotated Bother CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1[N+](=O)[O-] ZINC000587678437 KK Annotated Bother CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1[N+](=O)[O-] ZINC000587678438 KK Annotated Bother CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1[N+](=O)[O-] ZINC000587678439 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587678440 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587678441 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587678442 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587678443 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587678490 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587678496 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587678498 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587678499 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587678500 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](O)NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587678501 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587678502 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587678503 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc(Cl)cc(Br)c2O)N1 ZINC000587678504 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587678505 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587678507 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587678509 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587678556 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587678557 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587678558 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587678559 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587678608 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587678609 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587678610 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587678611 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587678650 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587678654 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587678655 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587678657 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587678668 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Br ZINC000587678673 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587678674 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Br ZINC000587678675 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Br ZINC000587678676 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587678677 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Br ZINC000587678678 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587678679 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCO[C@H]2CCCCO2)N1 ZINC000587678693 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCO[C@@H]2CCCCO2)N1 ZINC000587678700 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCO[C@H]2CCCCO2)N1 ZINC000587678704 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCO[C@@H]2CCCCO2)N1 ZINC000587678706 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587678726 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587678729 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587678730 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587678731 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587678732 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587678733 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587678734 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587678735 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587678736 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678738 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587678739 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678740 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678741 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587678742 KK Annotated Anodyne CCOC(=O)CCCOc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678744 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587678747 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587678773 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587678778 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587678780 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587678782 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587678792 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587678801 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587678802 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587678803 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587678804 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587678805 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587678806 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587678807 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587678808 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587678810 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587678815 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587678816 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587678817 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587678820 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587678822 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587678824 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587678825 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587678832 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587678833 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587678835 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587678837 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587678845 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587678847 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587678849 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678869 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678874 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678879 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587678882 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587678906 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587678907 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587678908 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587678909 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587678910 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)c(O)c(Br)c2)N1 ZINC000587678911 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587678913 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 ZINC000587678916 KK Annotated Reactive CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678931 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678933 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678937 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678941 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587678944 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587678945 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587678947 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587678948 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587678950 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587678951 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587678953 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587678954 KK Annotated Bother CCOC(=O)[C@@H]1[C@@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@](C)(O)C[C@@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587678956 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678958 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OCC)[C@H]1c1cccc(Br)c1 ZINC000587678959 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@H](C(=O)OCC)C[C@](C)(O)[C@@H]1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678960 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@](C)(O)[C@H]([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OCC)[C@@H]1c1cccc(Br)c1 ZINC000587678962 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678974 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678977 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(Br)c3)c2)N1 ZINC000587678978 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587678980 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(Br)c3)c2)N1 ZINC000587678981 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3cccc(Br)c3)c2)N1 ZINC000587678984 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3cccc(Br)c3)c2)N1 ZINC000587678987 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679033 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679037 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679039 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679042 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679044 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679046 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679049 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587679051 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679053 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679059 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679062 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679065 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587679112 KK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587679113 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587679114 KK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587679115 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679138 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679140 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679143 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679146 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587679164 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587679168 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587679171 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587679174 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679176 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679181 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679185 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587679189 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587679193 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587679197 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587679203 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587679208 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587679246 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587679250 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587679254 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587679257 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587679258 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587679261 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679263 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587679266 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679267 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587679270 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679272 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679278 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679307 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679311 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679316 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679320 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587679324 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587679345 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587679350 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587679356 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679374 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679378 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Br)c1 ZINC000587679382 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679383 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Br)c1 ZINC000587679387 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3ccccn23)N1 ZINC000587679389 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Br)c1 ZINC000587679392 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679394 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1cccc(Br)c1 ZINC000587679396 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Br)cc1 ZINC000587679398 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Br)cc1 ZINC000587679401 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Br)cc1 ZINC000587679403 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Br)cc1 ZINC000587679407 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587679410 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679412 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587679413 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587679415 KK Annotated Mild Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679416 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587679417 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587679419 KK Annotated Mild Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679421 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587679424 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587679430 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587679438 KK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Br)cc1 ZINC000587679466 KK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Br)cc1 ZINC000587679470 KK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Br)cc1 ZINC000587679473 KK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)nnn1Cc1ccc(Br)cc1 ZINC000587679476 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587679480 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587679484 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587679487 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587679491 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587679494 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587679498 KK Annotated Mild CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679500 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587679502 KK Annotated Mild CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679504 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2cccc(Br)c2)N1 ZINC000587679505 KK Annotated Mild CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679507 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679510 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587679523 KK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679524 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587679526 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587679529 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CNc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587679532 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587679534 KK Annotated Mild CCOc1cc(Br)c(Br)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679535 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587679537 KK Annotated Mild CCOc1cc(Br)c(Br)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679538 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587679539 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCC#N)nc2-c2ccc(Br)cc2)N1 ZINC000587679540 KK Annotated Mild CCOc1cc(Br)c(Br)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587679541 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587679560 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587679562 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587679564 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587679566 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679579 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679582 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679584 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679585 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587679601 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587679603 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587679604 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587679605 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587679673 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587679675 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587679677 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br ZINC000587679680 KK Annotated Clean Cc1ccc(COc2ccc(Br)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679717 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679718 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679719 KK Annotated Anodyne Cc1ccc(COc2ccc(Br)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679720 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587679725 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587679726 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587679728 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587679730 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587679733 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587679736 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587679739 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587679742 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679776 KK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679778 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587679782 KK Annotated Mild COc1ccc(/C=C/[C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679783 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587679785 KK Annotated Mild COc1ccc(/C=C\[C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587679786 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587679788 KK Annotated Mild COc1ccc(Br)cc1[C@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679789 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679790 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H](C#N)C(=O)Nc2cc(Br)ccc2Br)N1 ZINC000587679791 KK Annotated Mild COc1ccc(Br)cc1[C@@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679792 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679794 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587679797 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679805 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679808 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587679810 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587679850 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587679851 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587679852 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587679853 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587679854 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587679859 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587679861 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587679864 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587679876 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587679879 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587679880 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587679881 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587679882 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587679884 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587679887 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587679890 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679893 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679895 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679896 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679897 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679898 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679899 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587679900 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587679902 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679927 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679934 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679936 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587679939 KK Annotated Anodyne CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587679942 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587679944 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587679948 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587679950 KK Annotated Anodyne CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587679952 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587679954 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587679956 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587679959 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587679960 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587679961 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587679962 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587679964 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587679965 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587679967 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587679990 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587679991 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587679992 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587679993 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587680001 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587680003 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587680005 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587680007 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)c1ccccc1 ZINC000587680009 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)c1ccccc1 ZINC000587680010 KK Annotated Anodyne CCOC(=O)[C@H](C[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)c1ccccc1 ZINC000587680011 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680013 KK Annotated Anodyne CCOC(=O)[C@H](C[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)c1ccccc1 ZINC000587680014 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680015 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Br)c1 ZINC000587680016 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680017 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1([C@H](C)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680018 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Br)c1 ZINC000587680020 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Br)c1 ZINC000587680022 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Br)c1 ZINC000587680024 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)o1 ZINC000587680027 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)o1 ZINC000587680032 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)o1 ZINC000587680035 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)o1 ZINC000587680037 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587680038 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587680040 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587680043 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587680045 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Br)cc32)N1 ZINC000587680046 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587680047 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587680048 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587680050 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587680057 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587680059 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587680062 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000587680064 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C\c1ccc(Br)cc1)CC2 ZINC000587680066 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C/c1ccc(Br)cc1)CC2 ZINC000587680070 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C\c1ccc(Br)cc1)CC2 ZINC000587680073 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C/c1ccc(Br)cc1)CC2 ZINC000587680074 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587680094 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587680095 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587680096 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587680097 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680116 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680117 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680118 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587680119 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587680128 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587680129 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587680130 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(OCc3ccccc3)c2)N1 ZINC000587680131 KK Annotated Anodyne CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680209 KK Annotated Mild CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680210 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587680211 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587680212 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587680213 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587680214 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Br)c1 ZINC000587680230 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Br)c1 ZINC000587680232 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Br)c1 ZINC000587680234 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1cccc(Br)c1 ZINC000587680236 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680255 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680256 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680257 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680258 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680259 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680260 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680261 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3c(Br)cnn3C)cc2)N1 ZINC000587680262 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680263 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680264 KK Annotated Anodyne CCOc1ccc([C@]2(c3cc(Br)ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680265 KK Annotated Anodyne CCOc1ccc([C@@]2(c3cc(Br)ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680266 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587680282 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587680284 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587680286 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587680288 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587680290 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587680293 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587680294 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587680295 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587680307 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587680308 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587680309 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c(Br)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587680311 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587680337 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587680343 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587680344 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587680345 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587680346 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587680347 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587680349 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587680350 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Br ZINC000587680359 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Br ZINC000587680361 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Br ZINC000587680363 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Br ZINC000587680365 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Br)=C(Br)C(C)([N+](=O)[O-])C(Br)=C2Br ZINC000587680374 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(Br)=C(Br)C(C)([N+](=O)[O-])C(Br)=C2Br ZINC000587680375 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C\Nc2cnc(Br)cn2)N1 ZINC000587680400 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(Br)=C/Nc2cnc(Br)cn2)N1 ZINC000587680401 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C/Nc2cnc(Br)cn2)N1 ZINC000587680402 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(Br)=C\Nc2cnc(Br)cn2)N1 ZINC000587680403 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587680424 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680425 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680426 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680427 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680428 KK Annotated Bother CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587680429 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587680430 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587680431 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587680432 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587680433 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 ZINC000587680434 KK Annotated Reactive CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587680435 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587680439 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587680441 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587680442 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587680443 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587680444 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(NC(=O)OC(C)(C)C)ncc2Br)N1 ZINC000587680445 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587680446 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccccc2C(=O)O)N1 ZINC000587680448 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587680450 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587680454 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587680457 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587680459 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680475 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680476 KK Annotated Anodyne Cc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680477 KK Annotated Anodyne Cc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680478 KK Annotated Anodyne Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Br)cc1 ZINC000587680488 KK Annotated Anodyne Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Br)cc1 ZINC000587680489 KK Annotated Anodyne Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Br)cc1 ZINC000587680491 KK Annotated Anodyne Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)nnn1Cc1ccc(Br)cc1 ZINC000587680493 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587680495 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587680497 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587680498 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCc2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587680500 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587680502 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587680504 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587680506 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(Br)cc3)cc2)N1 ZINC000587680508 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C/c1ccc(Br)cc1)CC2 ZINC000587680510 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C\c1ccc(Br)cc1)CC2 ZINC000587680512 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C\c1ccc(Br)cc1)CC2 ZINC000587680514 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C/c1ccc(Br)cc1)CC2 ZINC000587680516 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587680518 KK Annotated Clean Cc1ccncc1[C@@]1(c2cncc(Br)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680519 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587680520 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587680521 KK Annotated Clean Cc1ccncc1[C@]1(c2cncc(Br)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680522 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Br)cc2)(c2ccc(O)cc2O)N1 ZINC000587680523 KK Annotated Clean Cc1ccncc1[C@]1(c2cncc(Br)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680524 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680525 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680526 KK Annotated Bother Cc1ccncc1[C@@]1(c2cncc(Br)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680527 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680528 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587680529 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587680530 KK Annotated Bother CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680531 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587680532 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680533 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587680534 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680535 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587680536 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680537 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587680548 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Br)c1 ZINC000587680551 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Br)c1 ZINC000587680552 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Br)c1 ZINC000587680553 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Br)c1 ZINC000587680554 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680555 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680556 KK Annotated Anodyne CCc1ccc(NCC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680557 KK Annotated Anodyne CCc1ccc(NCC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680558 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587680559 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587680560 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587680561 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 ZINC000587680562 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587680563 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587680564 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587680565 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587680566 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587680567 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587680569 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587680570 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680576 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587680579 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587680580 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680581 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587680582 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC=O)cc2)(c2cncc(Br)c2)N1 ZINC000587680583 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587680604 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587680605 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587680606 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587680607 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587680620 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587680621 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587680622 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1ccccc1 ZINC000587680623 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587680644 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587680645 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587680646 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(Br)c2)N1 ZINC000587680647 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680672 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680673 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680674 KK Annotated Anodyne CCOC(=O)COc1c(Br)cc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680675 KK Annotated Anodyne CCOC(=O)c1ccccc1C(=C1C=C(Br)C2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(Br)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587680680 KK Annotated Anodyne CCOC(=O)c1ccccc1C(=C1C=C(Br)C2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(Br)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587680681 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680716 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680717 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680718 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587680719 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587680732 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587680733 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587680734 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587680735 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587680740 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587680741 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587680742 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587680744 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587680745 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587680746 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587680747 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587680749 KK Annotated Clean CNc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680793 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680801 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680802 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680803 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587680804 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587680817 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587680818 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587680819 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(Br)cc(Br)cc23)N1 ZINC000587680820 KK Annotated Anodyne CC1=C(Br)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=C(Br)C1=O ZINC000587680821 KK Annotated Mild CC1=C(Br)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=C(Br)C1=O ZINC000587680822 KK Annotated Mild CC1=C(Br)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=C(Br)C1=O ZINC000587680823 KK Annotated Mild CC1=C(Br)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=C(Br)C1=O ZINC000587680824 KK Annotated Mild CNc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680835 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680837 KK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587680839 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc(Br)c2=O)cc1 ZINC000587680840 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc(Br)c2=O)cc1 ZINC000587680848 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc(Br)c2=O)cc1 ZINC000587680850 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc(Br)c2=O)cc1 ZINC000587680852 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587680857 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587680858 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587680859 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCCC2OCCO2)N1 ZINC000587680860 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680881 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680883 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680893 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680897 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680901 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587680905 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587680921 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680936 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680938 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680940 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587680941 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Br)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587680942 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587680943 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2Br)(c2ccccc2Br)N1 ZINC000587680944 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587680945 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2Br)(c2ccccc2Br)N1 ZINC000587680946 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Br)cc3)nc2-c2ccccc2)N1 ZINC000587680947 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587680949 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587680954 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587680957 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587680960 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587680961 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587680964 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587680967 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587680970 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587680972 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587680978 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587680984 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587680988 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587680990 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587680993 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)N1 ZINC000587680995 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(Br)cc1 ZINC000587680998 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587681007 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(Br)cc1 ZINC000587681009 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(Br)cc1 ZINC000587681011 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(Br)cc1 ZINC000587681012 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(NC(=O)OC(C)(C)C)(c3ccc(Br)cc3)C2)N1 ZINC000587681017 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587681018 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(NC(=O)OC(C)(C)C)(c3ccc(Br)cc3)C2)N1 ZINC000587681021 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587681022 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587681027 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681038 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681040 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681043 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681046 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587681053 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587681057 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587681058 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587681061 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587681064 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587681066 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccc(CC(=O)O)c2N)N1 ZINC000587681069 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3cc(Br)ccc32)N1 ZINC000587681071 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587681076 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587681081 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587681086 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587681089 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681094 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681100 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681103 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681109 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681117 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587681120 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681121 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681125 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587681126 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587681129 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681131 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587681133 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587681140 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587681144 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587681150 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587681154 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587681171 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587681173 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587681174 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587681175 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587681176 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587681179 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587681183 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(C)(C)c1cc(Br)ccc1-3 ZINC000587681187 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)nc12 ZINC000587681193 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)nc12 ZINC000587681194 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)nc12 ZINC000587681196 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)nc12 ZINC000587681198 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681232 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681233 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681234 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(CCC(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681235 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Br)c1 ZINC000587681240 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Br)c1 ZINC000587681241 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Br)c1 ZINC000587681242 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1cccc(Br)c1 ZINC000587681243 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587681244 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587681245 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587681246 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2O)(c2ccccc2Cl)N1 ZINC000587681247 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587681248 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587681249 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587681250 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCC2OCCCO2)N1 ZINC000587681252 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681254 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681256 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681258 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2cc(Br)ccc2O)N1 ZINC000587681260 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587681282 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587681286 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587681287 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587681288 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587681289 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587681290 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587681291 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587681293 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587681317 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587681320 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587681323 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587681326 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587681330 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587681333 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587681335 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3C#N)c(Br)c2)N1 ZINC000587681339 KK Annotated Mild COc1c(C)cc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587681349 KK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587681353 KK Annotated Anodyne COc1c(C)cc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587681356 KK Annotated Anodyne COc1c(C)cc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587681359 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681363 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681367 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681370 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681372 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587681381 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587681383 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587681385 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](O)NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)N1 ZINC000587681388 KK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587681393 KK Annotated Anodyne CCCCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587681395 KK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587681398 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587681399 KK Annotated Anodyne CCCCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587681400 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587681402 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587681404 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587681407 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587681413 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587681415 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587681417 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)N1 ZINC000587681419 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Br)cn2)(c2ccc(Br)cn2)N1 ZINC000587681434 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Br)cn2)(c2ccc(Br)cn2)N1 ZINC000587681447 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587681462 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587681465 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587681468 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1cc(Br)ccc12 ZINC000587681471 KK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681482 KK Annotated Anodyne CCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681484 KK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681486 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc(Br)c2=O)cc1 ZINC000587681487 KK Annotated Anodyne CCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587681489 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc(Br)c2=O)cc1 ZINC000587681490 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc(Br)c2=O)cc1 ZINC000587681493 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc(Br)c2=O)cc1 ZINC000587681496 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681498 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681500 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681501 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681503 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681504 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681506 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587681507 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)cc1OCc1ccccc1 ZINC000587681508 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587681510 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681512 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587681513 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681515 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587681517 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681519 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587681520 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(Br)cc(Br)cc32)N1 ZINC000587681521 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Br)cn1 ZINC000587681547 KK Annotated Anodyne COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681583 KK Annotated Anodyne COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681584 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681585 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681586 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681587 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681588 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587681593 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587681594 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587681595 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587681596 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Br)cn1 ZINC000587681601 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681602 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Br)cn1 ZINC000587681603 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681604 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1cc(Br)cn1 ZINC000587681605 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681606 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)N1 ZINC000587681608 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681625 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681627 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681630 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681633 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587681663 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587681665 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587681667 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc4cc(Br)ccc4c3)o2)N1 ZINC000587681668 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681678 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681681 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681684 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587681685 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587681686 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587681687 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1 ZINC000587681688 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1 ZINC000587681689 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587681690 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1 ZINC000587681691 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(Br)cc1C(=O)c1ccc(Br)cc12 ZINC000587681692 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1 ZINC000587681693 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587681702 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587681703 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587681704 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587681705 KK Annotated Anodyne COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587681768 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587681769 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587681770 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587681771 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587681780 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587681781 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587681782 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587681783 KK Annotated Reactive CCCOc1c(Br)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681812 KK Annotated Anodyne CCCOc1c(Br)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681813 KK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681814 KK Annotated Anodyne CCCOc1c(Br)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587681815 KK Annotated Anodyne CCOc1cc(Br)c(Br)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587681857 KK Annotated Clean CCOc1cc(Br)c(Br)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587681858 KK Annotated Clean CCOc1cc(Br)c(Br)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587681859 KK Annotated Clean CCOc1cc(Br)c(Br)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587681860 KK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1Cl ZINC000587681878 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1Cl ZINC000587681882 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1Cl ZINC000587681885 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Br)cc1Cl ZINC000587681888 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587681900 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587681902 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587681905 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Br)c2)(c2cccc(Br)c2)N1 ZINC000587681907 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681919 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681921 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681923 KK Annotated Anodyne COc1ccc(Br)cc1/C=C/[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587681925 KK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681929 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681932 KK Annotated Anodyne CNc1ccc(Br)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681935 KK Annotated Anodyne CNc1ccc(Br)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681939 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681954 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681957 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587681958 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681960 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587681962 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587681963 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587681964 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587681965 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587681967 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587681968 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587681972 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2N)(c2ccccc2Cl)N1 ZINC000587681974 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682034 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682046 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682048 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682050 KK Annotated Anodyne CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682085 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587682097 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587682098 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587682101 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000587682103 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682105 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682107 KK Annotated Anodyne COc1ccc(Br)cc1[C@]1(c2ccccc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682108 KK Annotated Anodyne COc1ccc(Br)cc1[C@@]1(c2ccccc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682109 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682119 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682121 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682124 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCn2cccc2)N1 ZINC000587682126 KK Annotated Anodyne CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682133 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682134 KK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682135 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587682193 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H](C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587682196 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587682199 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H](C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000587682200 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587682204 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587682206 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587682208 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(Br)cc3c2-c2ccccc2)N1 ZINC000587682210 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587682220 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587682221 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587682222 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3[nH]2)(c2ccc(Br)cc2)N1 ZINC000587682223 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Br)c1 ZINC000587682228 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Br)c1 ZINC000587682229 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Br)c1 ZINC000587682230 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Br)c1 ZINC000587682231 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587682233 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587682234 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587682236 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587682238 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587682241 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587682273 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587682276 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682277 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587682278 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587682279 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682280 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cnc2OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682281 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cnc2OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682282 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682283 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682284 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cnc2OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682285 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cnc2OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587682286 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587682287 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587682288 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587682289 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587682290 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587682292 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587682295 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587682297 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587682298 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587682300 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587682302 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 ZINC000587682305 KK Annotated Reactive Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587682315 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587682317 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587682319 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587682321 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587682340 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587682351 KK Annotated Bother C[C@H](C(=O)c1ccc(Br)cc1)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682352 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](C)C(=O)c2ccc(Br)cc2)N1 ZINC000587682353 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587682354 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](C)C(=O)c2ccc(Br)cc2)N1 ZINC000587682355 KK Annotated Anodyne C[C@H](C(=O)c1ccc(Br)cc1)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682356 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587682357 KK Annotated Bother Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)cc12 ZINC000587682358 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)cc12 ZINC000587682359 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)cc12 ZINC000587682362 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(Br)cc3)cc12 ZINC000587682364 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682398 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682399 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682400 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682401 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587682406 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587682407 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682453 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682455 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682457 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Cl)c(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682458 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587682484 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587682486 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587682488 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)cc1OCc1ccccc1 ZINC000587682490 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587682510 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587682513 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587682516 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587682520 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587682523 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Br)c2)cc1 ZINC000587682525 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587682527 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Br)c2)cc1 ZINC000587682528 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587682530 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(Br)c2)cc1 ZINC000587682531 KK Annotated Anodyne CCOC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(Br)c2)cc1 ZINC000587682533 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587682535 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587682555 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587682558 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587682561 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587682564 KK Annotated Reactive CCOc1c(Br)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682566 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682567 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682568 KK Annotated Anodyne CCOc1c(Br)cc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587682569 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2Br)(c2ccccc2Br)N1 ZINC000587682577 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2Br)(c2ccccc2Br)N1 ZINC000587682578 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587682589 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587682591 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587682593 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)c3ccc(Br)o3)cc2)N1 ZINC000587682595 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682615 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682617 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682620 KK Annotated Anodyne COc1ccc(Cn2c(Br)ccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682623 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682624 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682626 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587682627 KK Annotated Reactive Cc1cccc(COc2ccc(Br)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682628 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587682630 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587682631 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587682634 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587682638 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCO[C@@H]2CCCCO2)N1 ZINC000587682691 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCO[C@H]2CCCCO2)N1 ZINC000587682693 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCO[C@H]2CCCCO2)N1 ZINC000587682696 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCO[C@@H]2CCCCO2)N1 ZINC000587682697 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682741 KK Annotated Anodyne CC(C)=CCC/C(C)=C\COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682743 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682745 KK Annotated Anodyne CC(C)=CCC/C(C)=C/COc1cc(Br)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682747 KK Annotated Anodyne Cc1ccccc1/C=C/[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682749 KK Annotated Anodyne Cc1ccccc1/C=C\[C@]1(c2cccc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682751 KK Annotated Anodyne Cc1ccccc1/C=C\[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682753 KK Annotated Anodyne Cc1ccccc1/C=C/[C@]1(c2cccc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587682754 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587682763 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587682764 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587682766 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587682768 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587682812 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587682813 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587682814 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 ZINC000587682815 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682828 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682829 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682830 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682831 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682832 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682833 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682834 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587682835 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587682845 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccc(Br)cc23)N1 ZINC000587682846 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587682851 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587682852 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587682853 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587682854 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)o1 ZINC000587682855 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)o1 ZINC000587682856 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)o1 ZINC000587682857 KK Annotated Anodyne Cc1nnc(C2=COc3ccc(Br)cc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)o1 ZINC000587682858 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587682863 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587682864 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587682865 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587682866 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587682885 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587682899 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587682901 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587682903 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587682905 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587682907 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587682909 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587682912 KK Annotated Reactive CC1=C(c2ccc(Br)cc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587682913 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587682915 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587682917 KK Annotated Anodyne CC1=C(c2ccc(Br)cc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587682919 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587682954 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587682957 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587682960 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587682963 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682964 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682966 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682968 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587682972 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683001 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683006 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683009 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683013 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587683014 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587683017 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587683020 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587683022 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587683023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587683024 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587683025 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587683026 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587683027 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587683028 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587683029 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3ccc(Br)cc3)=C2CC(=O)O)N1 ZINC000587683032 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587683034 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587683036 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587683038 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccc(Br)cc2)N1 ZINC000587683041 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587683043 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587683045 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587683047 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c2cnn3-c2cccc(Br)c2)N1 ZINC000587683049 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587683062 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587683063 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587683064 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)c(Br)cc12 ZINC000587683065 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587683108 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587683111 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587683112 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587683114 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587683115 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587683118 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(Br)c(Br)c4c(c32)CCO4)N1 ZINC000587683119 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2ccc3c(c2)OCCO3)N1 ZINC000587683121 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683145 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683148 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587683149 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683151 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587683153 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587683159 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683164 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587683165 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683167 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587683170 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683171 KK Annotated Reactive CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683173 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587683177 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587683179 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587683181 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)C(Cl)(Cl)Cl)[nH]c2[N+](=O)[O-])N1 ZINC000587683184 KK Annotated Bother Cc1nn(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(C)c1Br ZINC000587683197 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(C)c1Br ZINC000587683200 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(C)c1Br ZINC000587683202 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(C)c1Br ZINC000587683205 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587683231 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587683232 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587683233 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587683234 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587683235 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587683236 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCC#N)nc2-c2ccccc2Br)N1 ZINC000587683237 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)N1 ZINC000587683239 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587683271 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587683274 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587683276 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2cccc(Cl)c2)N1 ZINC000587683279 KK Annotated Anodyne COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683320 KK Annotated Anodyne COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683325 KK Annotated Anodyne COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683327 KK Annotated Anodyne COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587683329 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587683345 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587683348 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587683350 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587683351 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587683353 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587683355 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Br)cc2OCc2ccccc2)N1 ZINC000587683356 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587683357 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587683358 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587683360 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587683361 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587683362 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587683443 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587683445 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587683447 KK Annotated Reactive COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587683450 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587683452 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587683455 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587683457 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587683460 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587683501 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587683502 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587683504 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc(Br)cc1-c1ccccc12 ZINC000587683506 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587683529 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587683530 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587683531 KK Annotated Anodyne Cc1cc(Br)c2c(c1N)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587683534 KK Annotated Anodyne CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683537 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683538 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683539 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683540 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683551 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683559 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683561 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587683563 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587683569 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587683571 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587683575 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ccc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587683579 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587683600 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587683602 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587683604 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587683606 KK Annotated Reactive CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683617 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683618 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683619 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683620 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587683628 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587683630 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587683632 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587683634 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683636 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683638 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683641 KK Annotated Anodyne CC(C)c1nn(-c2ccc(Br)cc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587683643 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587683650 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587683651 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587683652 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(Br)cc3)cnc2Cl)N1 ZINC000587683653 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587683654 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587683655 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587683656 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3cc(Cl)ccn23)N1 ZINC000587683657 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587683666 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587683667 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587683668 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc(Br)c3)nc3ccccn23)N1 ZINC000587683669 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587683682 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587683683 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587683684 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587683685 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587683686 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587683687 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587683688 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 ZINC000587683689 KK Annotated Reactive CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683694 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587683695 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587683700 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587683701 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587683702 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Br)c1C ZINC000587683703 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587683726 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587683728 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587683729 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2c(Cl)cccc2Cl)N1 ZINC000587683730 KK Annotated Anodyne CCN(/C=C/[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587683759 KK Annotated Clean CCN(/C=C\[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587683762 KK Annotated Clean CCN(/C=C/[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587683763 KK Annotated Clean CCN(/C=C\[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21)CC ZINC000587683766 KK Annotated Clean COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683768 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683771 KK Annotated Anodyne COc1cccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683773 KK Annotated Anodyne COc1cccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587683775 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587683783 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587683785 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587683789 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)(c2ccccc2C(=O)O)N1 ZINC000587683792 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(C)c1Br ZINC000587683813 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(C)c1Br ZINC000587683816 KK Annotated Anodyne Cc1nn(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(C)c1Br ZINC000587683818 KK Annotated Anodyne Cc1nn(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(C)c1Br ZINC000587683820 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587683834 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587683836 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587683838 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(Br)c3)c3ccccc23)N1 ZINC000587683840 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587683842 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587683844 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587683846 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587683848 KK Annotated Anodyne CC1=C(Br)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=C(Br)C1=O ZINC000587683917 KK Annotated Mild CC1=C(Br)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=C(Br)C1=O ZINC000587683919 KK Annotated Mild CC1=C(Br)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=C(Br)C1=O ZINC000587683921 KK Annotated Mild CC1=C(Br)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=C(Br)C1=O ZINC000587683924 KK Annotated Mild COc1cccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587683932 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587683934 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587683937 KK Annotated Anodyne COc1cccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587683939 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683940 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683942 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683944 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 ZINC000587683946 KK Annotated Reactive Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683968 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683970 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683972 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587683974 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587684040 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587684041 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587684042 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587684043 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587684064 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587684065 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587684066 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587684067 KK Annotated Reactive CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684097 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684099 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587684100 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587684101 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587684102 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(Br)cc(Br)cc3c2=O)N1 ZINC000587684103 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587684117 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587684118 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587684119 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2OCc2ccc(Br)cc2)N1 ZINC000587684120 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587684129 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587684130 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587684131 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2)(c2cc(Br)ccc2O)N1 ZINC000587684132 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587684133 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587684134 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587684135 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(Br)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587684136 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587684152 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587684156 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587684160 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587684165 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587684171 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1Cl ZINC000587684174 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587684176 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1Cl ZINC000587684177 KK Annotated Anodyne COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587684178 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587684179 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1Cl ZINC000587684180 KK Annotated Anodyne COC(=O)C1(c2cccc(Br)c2)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587684181 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1Cl ZINC000587684182 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(Br)cc12 ZINC000587684183 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684188 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Br)c1 ZINC000587684191 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684192 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Br)c1 ZINC000587684195 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684196 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Br)c1 ZINC000587684198 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587684199 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1cccc(Br)c1 ZINC000587684201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587684203 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587684205 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587684207 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587684209 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587684211 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587684213 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587684215 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(Br)cc3Cl)o2)N1 ZINC000587684217 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587684219 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587684222 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587684224 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2OCc2cccc(Br)c2)N1 ZINC000587684225 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587684235 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587684242 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587684247 KK Annotated Reactive CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587684253 KK Annotated Reactive CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684277 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684280 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684282 KK Annotated Anodyne CCOC(=O)c1[nH]c2ccc(Br)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587684284 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587684324 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587684326 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587684328 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587684330 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587684341 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587684344 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587684347 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cccc12 ZINC000587684349 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684356 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684357 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587684358 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684360 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587684361 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccccc3C(=O)O)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587684363 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587684364 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587684367 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Br)cn2)(c2ccc(Br)cn2)N1 ZINC000587684376 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Br)cn2)(c2ccc(Br)cn2)N1 ZINC000587684378 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587684382 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587684383 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587684385 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587684386 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587684387 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Br)c2)N1 ZINC000587684389 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587684392 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCc1ccccc1)c1ccc(Br)cc12 ZINC000587684398 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684418 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684420 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684422 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684424 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684428 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684435 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684438 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684441 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587684462 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587684463 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587684464 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 ZINC000587684465 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587684469 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587684471 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587684473 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 ZINC000587684474 KK Annotated Reactive COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684481 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684482 KK Annotated Anodyne COc1ccc([C@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684483 KK Annotated Anodyne COc1ccc([C@@]2(c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587684484 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587684487 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587684489 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587684492 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587684495 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587684505 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587684507 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587684509 KK Annotated Anodyne COc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587684511 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684529 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684531 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684533 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587684536 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587684628 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587684629 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587684630 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2ccccn2)N1 ZINC000587684631 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587684675 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587684676 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587684678 KK Annotated Anodyne COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587684679 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCC(=O)OC(C)(C)C)N1 ZINC000587684680 KK Annotated Anodyne COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587684683 KK Annotated Reactive COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587684686 KK Annotated Reactive COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 ZINC000587684689 KK Annotated Reactive Cc1cccc(COc2ccc(Br)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684713 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684714 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684716 KK Annotated Anodyne Cc1cccc(COc2ccc(Br)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587684718 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587684726 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587684729 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587684731 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 ZINC000587684732 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587684808 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587684809 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587684810 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587684811 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587684864 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587684865 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587684866 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(N)c(C(=O)O)cc(Br)c12 ZINC000587684867 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587684868 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587684869 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587684870 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(Br)cc(C(=O)O)c(N)c12 ZINC000587684871 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587684878 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587684885 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684904 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684908 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684909 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587684911 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587684955 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587684959 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587684963 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=C(Br)C(=O)c1ccccc12 ZINC000587684966 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684985 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587684986 KK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684987 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684988 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000587684990 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587684994 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587684998 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587685001 KK Annotated Reactive COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685019 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685022 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587685025 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685026 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587685028 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(Br)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685029 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587685031 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C\Nc2cnc(Br)cn2)N1 ZINC000587685032 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000587685033 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(Br)=C/Nc2cnc(Br)cn2)N1 ZINC000587685034 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C\Nc2cnc(Br)cn2)N1 ZINC000587685036 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(Br)=C/Nc2cnc(Br)cn2)N1 ZINC000587685037 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685061 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685063 KK Annotated Anodyne CCOC(=O)CC[C@]1(CCC(=O)c2ccc(Br)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685072 KK Annotated Anodyne CCOC(=O)CC[C@@]1(CCC(=O)c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685074 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587685077 KK Annotated Anodyne CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1[N+](=O)[O-] ZINC000587685080 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587685081 KK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1[N+](=O)[O-] ZINC000587685082 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587685083 KK Annotated Anodyne CC(=O)c1cc([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1[N+](=O)[O-] ZINC000587685084 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=COc1cc(Br)ccc12 ZINC000587685085 KK Annotated Anodyne CC(=O)c1cc([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1[N+](=O)[O-] ZINC000587685086 KK Annotated Bother Cc1ccccc1C(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685106 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685108 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685112 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587685115 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)nc12 ZINC000587685123 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)nc12 ZINC000587685125 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)nc12 ZINC000587685127 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(Br)cc3)nc12 ZINC000587685129 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587685133 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685134 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587685136 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587685138 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Oc3c(Cl)cc(Br)cc32)N1 ZINC000587685141 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685143 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685145 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@@]1(c2ccc(Br)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685147 KK Annotated Anodyne CCOC(=O)CCC(=O)CC[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685149 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587685151 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccc(Br)cc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587685153 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685154 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587685157 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685158 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685160 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccc(Br)cc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587685161 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587685166 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587685169 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587685172 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(c2ccc(Br)cc2)N1 ZINC000587685175 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685178 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685180 KK Annotated Anodyne COc1ccc([C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685182 KK Annotated Anodyne COc1ccc([C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587685183 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587685184 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587685185 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587685186 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3ccc(Br)cc3)c2)N1 ZINC000587685187 KK Annotated Anodyne COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587685254 KK Annotated Reactive COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587685255 KK Annotated Reactive COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587685256 KK Annotated Reactive COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 ZINC000587685257 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587685286 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587685287 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587685288 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587685289 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587685290 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587685291 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587685292 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 ZINC000587685293 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587685294 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587685295 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587685296 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 ZINC000587685297 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587685346 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(Br)ccc1-c1ccc(Br)cc12 ZINC000587685350 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685357 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685360 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685362 KK Annotated Anodyne Cc1ccc(-n2c(C)c(Br)c3c2CCC[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587685364 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587685389 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587685399 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587685404 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587685408 KK Annotated Clean CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587685418 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587685422 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587685427 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587685430 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587685432 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587685433 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587685435 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587685438 KK Annotated Reactive Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685440 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685445 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685448 KK Annotated Anodyne Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587685451 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685478 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685480 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685482 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685484 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587685521 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587685523 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587685525 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(Br)cc23)N1 ZINC000587685527 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685528 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587685529 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685530 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685531 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Br)c3ccccc3n2C(=O)OC(C)(C)C)N1 ZINC000587685532 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587685533 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587685535 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587685537 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587685592 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587685593 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587685594 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587685595 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685596 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685597 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685598 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685599 KK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1 ZINC000587685617 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1 ZINC000587685618 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1 ZINC000587685620 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Br)cc1 ZINC000587685622 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685623 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685627 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685631 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587685632 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 ZINC000587685634 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587685635 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587685637 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587685638 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587685640 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587685641 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(c2ccccc2)N1 ZINC000587685643 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587685644 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587685646 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587685649 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587685651 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)[nH]c3ccccc23)N1 ZINC000587685654 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587685670 KK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587685671 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587685673 KK Annotated Anodyne Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587685674 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587685675 KK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587685676 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3cccc(Br)c3)nc2C23CC4CC(CC(C4)C2)C3)N1 ZINC000587685678 KK Annotated Anodyne Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 ZINC000587685680 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587685700 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587685705 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587685709 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587685712 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587685722 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587685724 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587685726 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/c3ccc(Br)cc3)cc2)N1 ZINC000587685728 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587685745 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587685755 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587685756 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587685757 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587685758 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587685759 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587685760 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587685761 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587685763 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587685764 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587685767 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cccc(Br)c3)[nH]c3ccccc23)N1 ZINC000587685769 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)N1 ZINC000587685771 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(=O)O)(c3ccc(Br)cc3)CC2)N1 ZINC000587685774 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587685784 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587685786 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587685787 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(Br)cc2)N1 ZINC000587685788 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587685791 KK Annotated Anodyne COC(=O)C1(c2ccc(Br)cc2)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587685795 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587685796 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587685799 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587685802 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccc(Br)cc3)cc2)Cc2ccccc21 ZINC000587685803 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587685822 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587685824 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587685828 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CN2CCN(C(=O)OC(C)(C)C)CC2)(c2ccc(Br)cc2)N1 ZINC000587685831 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685833 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587685835 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587685836 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587685839 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccc(Br)cc2)N1 ZINC000587685841 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685842 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685845 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587685847 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685871 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685872 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685873 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587685875 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587685892 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587685893 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587685894 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 ZINC000587685895 KK Annotated Reactive Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685958 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685964 KK Annotated Anodyne Cc1ccccc1[C@@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685966 KK Annotated Anodyne Cc1ccccc1[C@]1(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587685969 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685971 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685973 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685975 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587685977 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587686023 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587686025 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587686026 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587686027 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587686028 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccc(Br)cc3c2C(=O)O)N1 ZINC000587686029 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587686030 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686031 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(Br)n2)N1 ZINC000587686032 KK Annotated Anodyne Cc1ccncc1[C@]1(c2cncc(Br)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686034 KK Annotated Anodyne Cc1ccncc1[C@]1(c2cncc(Br)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686036 KK Annotated Anodyne Cc1ccncc1[C@@]1(c2cncc(Br)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686038 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587686056 KK Annotated Reactive CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686060 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587686066 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587686070 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587686073 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 ZINC000587686077 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686079 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686082 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686084 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686087 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686089 KK Annotated Mild COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686091 KK Annotated Anodyne COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686094 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686095 KK Annotated Mild COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686097 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587686098 KK Annotated Anodyne COc1ccc(/C(Cl)=C(/c2ccc(OC)cc2)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686100 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587686101 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686103 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686104 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587686106 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686107 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686110 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2cccc(Cl)c2)N1 ZINC000587686112 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)Cc3ccc(Cl)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686115 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686124 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686128 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686131 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686133 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587686136 KK Annotated Bother Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587686142 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587686143 KK Annotated Bother Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587686146 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587686150 KK Annotated Bother Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587686151 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587686153 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C([N+](=O)[O-])=CC1=C(c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(O)c(Br)c3OC1=C2Br ZINC000587686157 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587686158 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587686160 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cc3c(cc2Br)OCCCO3)N1 ZINC000587686164 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686196 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686204 KK Annotated Mild CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(Br)cc1 ZINC000587686210 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587686211 KK Annotated Reactive CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686213 KK Annotated Mild CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(Br)cc1 ZINC000587686214 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(Br)cc1 ZINC000587686216 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(Br)cc1 ZINC000587686218 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587686219 KK Annotated Reactive CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(Br)=C2Oc2c1ccc(O)c2Br ZINC000587686220 KK Annotated Mild Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587686223 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587686225 KK Annotated Reactive CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686228 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686232 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686234 KK Annotated Anodyne CCOC(=O)[C@]1(c2c[nH]c3ccc(Br)cc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686236 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587686261 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587686275 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587686277 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587686278 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587686304 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587686305 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587686306 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587686307 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 ZINC000587686316 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 ZINC000587686317 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686318 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686319 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686328 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686329 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686330 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587686331 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587686438 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587686439 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587686440 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587686441 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686460 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686461 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686462 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C3CCCCC3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686463 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686489 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686492 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686495 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)N1 ZINC000587686498 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587686499 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587686516 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587686519 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587686521 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nc3ccc(Br)cn23)N1 ZINC000587686524 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587686526 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587686528 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587686529 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587686531 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 ZINC000587686532 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(Cl)(Cl)C(=O)Nc2ccc(Cl)cc2)N1 ZINC000587686534 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 ZINC000587686536 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587686537 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC ZINC000587686540 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587686541 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587686544 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC ZINC000587686546 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Br)c12 ZINC000587686547 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC ZINC000587686549 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC ZINC000587686552 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587686582 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587686586 KK Annotated Reactive CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587686589 KK Annotated Reactive CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C ZINC000587686594 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587686596 KK Annotated Reactive Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686597 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587686603 KK Annotated Reactive Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686604 KK Annotated Anodyne COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587686606 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587686609 KK Annotated Reactive Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686612 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587686616 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686638 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686640 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686643 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)Cc3ccccc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686645 KK Annotated Anodyne CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686675 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686678 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686707 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686709 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686712 KK Annotated Anodyne COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686713 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587686714 KK Annotated Anodyne COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686717 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686718 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587686719 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686744 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686745 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686746 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686747 KK Annotated Reactive CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686748 KK Annotated Reactive CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587686749 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587686764 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587686767 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587686770 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1-c1cc(Br)ccc12 ZINC000587686773 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587686786 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587686788 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587686790 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587686793 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587686795 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587686798 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587686800 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587686803 KK Annotated Anodyne CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587686817 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587686819 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587686822 KK Annotated Reactive CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587686824 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587686874 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587686876 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587686878 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OC(=O)c2nn(C)cc2Br)N1 ZINC000587686880 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587686916 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587686917 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587686918 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Br)ccc12 ZINC000587686919 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587686920 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587686921 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587686922 KK Annotated Anodyne CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587686923 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587686940 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587686941 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587686942 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587686943 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587686960 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587686961 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587686962 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587686963 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587687002 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587687003 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587687004 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 ZINC000587687006 KK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687037 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687038 KK Annotated Reactive CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687039 KK Annotated Reactive CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687040 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587687047 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587687049 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587687051 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587687053 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687055 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687061 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687063 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687065 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687140 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587687141 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687142 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587687143 KK Annotated Reactive Cc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587687166 KK Annotated Anodyne Cc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587687167 KK Annotated Anodyne Cc1ccc(C(=O)c2c[nH]c([C@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587687168 KK Annotated Anodyne Cc1ccc(C(=O)c2c[nH]c([C@@]3(C(Cl)(Cl)Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587687169 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587687170 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587687171 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587687172 KK Annotated Anodyne Cc1ccccc1C(=O)c1c[nH]c([C@]2(C(Cl)(Cl)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587687173 KK Annotated Anodyne CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587687178 KK Annotated Mild CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587687179 KK Annotated Mild CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587687180 KK Annotated Mild CC1=C(Br)C(=O)C(C(C)C)=C(Br)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587687181 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587687182 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587687183 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587687184 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(Br)c3cccc2c13 ZINC000587687185 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687205 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687207 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687209 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Br)cn3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687211 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587687251 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587687253 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587687255 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(Br)c23)N1 ZINC000587687257 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587687266 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587687268 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 ZINC000587687271 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 ZINC000587687273 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687275 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687277 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687279 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 ZINC000587687281 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687288 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687289 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687290 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687291 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687337 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687338 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687340 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 ZINC000587687341 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687344 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687345 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687346 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687347 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587687353 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587687356 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 ZINC000587687357 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 ZINC000587687361 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687417 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687418 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 ZINC000587687421 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 ZINC000587687424 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687440 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687444 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687446 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687449 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3cc(Br)ccc3[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687450 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687456 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687458 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587687460 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587687461 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687462 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587687463 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687464 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687465 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587687466 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 ZINC000587687467 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCNCC3)Oc3ccc(Br)cc32)N1 ZINC000587687468 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587687483 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587687495 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587687497 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587687499 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587687503 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687509 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587687510 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687512 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687513 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587687514 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000587687515 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)-c1ccc(Br)cc1C3(C)C ZINC000587687518 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687543 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687544 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687545 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2ncc(Br)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587687546 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687547 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687548 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687549 KK Annotated Anodyne Cc1nc2ccc(Br)cc2c(Cl)c1CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687550 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587687590 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587687598 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587687600 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587687602 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587687632 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587687638 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587687640 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587687642 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Br)=C(Br)C(C)([N+](=O)[O-])C(Br)=C2Br ZINC000587687643 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(Br)=C(Br)C(C)([N+](=O)[O-])C(Br)=C2Br ZINC000587687645 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687668 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687669 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687670 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccc(Cl)cc3Cl)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587687671 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687680 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587687681 KK Annotated Reactive Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687682 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687683 KK Annotated Anodyne Cc1cc(Br)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687684 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587687685 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587687687 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587687689 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687728 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587687729 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 ZINC000587687730 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 ZINC000587687731 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 ZINC000587687792 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 ZINC000587687793 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 ZINC000587687794 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 ZINC000587687795 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687856 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687868 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687870 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587687871 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587687940 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587687945 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587687948 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 ZINC000587687949 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587687951 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587687953 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 ZINC000587687955 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 ZINC000587687957 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587687992 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587688003 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587688005 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587688007 KK Annotated Reactive CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688148 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688149 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688153 KK Annotated Clean CNc1ccc(Br)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688156 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587688161 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587688162 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587688163 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccc(Br)cc32)N1 ZINC000587688164 KK Annotated Anodyne COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC ZINC000587688196 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC ZINC000587688197 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC ZINC000587688199 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC ZINC000587688200 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587688211 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587688214 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587688216 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(Br)cc(Br)c32)N1 ZINC000587688217 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587688257 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587688258 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587688259 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587688260 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587688265 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587688266 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587688267 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587688268 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587688297 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587688298 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587688299 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587688300 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 ZINC000587688305 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 ZINC000587688306 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587688307 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587688308 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587688346 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587688347 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587688348 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587688349 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587688372 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587688373 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587688375 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587688377 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587688472 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587688473 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587688474 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c3ncc(Br)cc23)(C(Cl)(Cl)Cl)N1 ZINC000587688475 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587688510 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587688511 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587688512 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccccc3)Oc3ccc(Br)cc32)N1 ZINC000587688513 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587688556 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587688558 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587688560 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(Br)cc(Br)cc32)N1 ZINC000587688562 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587688584 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587688587 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587688589 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587688591 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587688593 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587688596 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587688600 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 ZINC000587688602 KK Annotated Reactive CNc1ccc(Br)c2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587688606 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587688610 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587688612 KK Annotated Anodyne CNc1ccc(Br)c2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O ZINC000587688615 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Br)cn1 ZINC000587688617 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Br)cn1 ZINC000587688619 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Br)cn1 ZINC000587688621 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1cc(Br)cn1 ZINC000587688623 KK Annotated Anodyne COc1cccc(C(=O)[C@H](Cl)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688653 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688654 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688655 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587688656 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688665 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688666 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688667 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587688668 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688669 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688670 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688671 KK Annotated Reactive Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688672 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587688673 KK Annotated Reactive CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587688674 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587688675 KK Annotated Reactive CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 ZINC000587688676 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587688681 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587688682 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587688683 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587688684 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688685 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688686 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688687 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587688688 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688767 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587688768 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688769 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 ZINC000587688770 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587688783 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587688784 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587688785 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587688786 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587688869 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587688872 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587688873 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(CCC(=O)O)=COc1ccc(Br)cc12 ZINC000587688877 KK Annotated Anodyne C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587688885 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587688890 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 ZINC000587688893 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 ZINC000587688895 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587688898 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587688901 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587688903 KK Annotated Reactive COc1cccc(C(=O)[C@H](Cl)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587688905 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587688937 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587688941 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587688944 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N3COc4ccc(Br)cc4C3)c2)N1 ZINC000587688947 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 ZINC000587688953 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 ZINC000587688958 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688962 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587688964 KK Annotated Clean C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587688965 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587688966 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587688970 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(Br)ccc1Oc1cc(O)cc(O)c12 ZINC000587688976 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587688980 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587688983 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587688986 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)c3cc(Br)ccc3oc2=O)N1 ZINC000587688987 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587689142 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587689143 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587689144 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000587689145 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587689154 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587689155 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587689156 KK Annotated Reactive COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587689157 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587689186 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587689187 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587689188 KK Annotated Reactive COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587689189 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 ZINC000587689190 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 ZINC000587689191 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 ZINC000587689192 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 ZINC000587689193 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689241 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689245 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 ZINC000587689249 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 ZINC000587689250 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587689251 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587689252 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587689253 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 ZINC000587689254 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587689277 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587689278 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587689279 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)(C2CCCCC2)N1 ZINC000587689280 KK Annotated Anodyne COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689430 KK Annotated Reactive COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689431 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689432 KK Annotated Reactive COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587689433 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587689458 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587689459 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587689460 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 ZINC000587689461 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587689494 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587689495 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587689496 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 ZINC000587689497 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587689498 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587689499 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587689500 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 ZINC000587689501 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587689506 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587689507 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587689508 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 ZINC000587689509 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587689522 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587689523 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587689524 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587689525 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689534 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689535 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689536 KK Annotated Reactive COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587689537 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 ZINC000587689538 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 ZINC000587689539 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587689540 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O ZINC000587689541 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587689587 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587689588 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1COc2ccccc2O1 ZINC000587689591 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1COc2ccccc2O1 ZINC000587689594 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689602 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689606 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689608 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689610 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587689697 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587689698 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587689699 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000587689700 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689714 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689715 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689716 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689717 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689742 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689743 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689744 KK Annotated Reactive CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587689745 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587689762 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587689763 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587689764 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000587689765 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587689790 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587689791 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587689792 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587689793 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587689814 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587689815 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587689816 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl ZINC000587689817 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587689822 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587689823 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587689824 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000587689825 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587689870 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587689871 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587689872 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000587689873 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587689882 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587689883 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587689884 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 ZINC000587689885 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689886 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689887 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689888 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587689889 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587690011 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587690012 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587690013 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 ZINC000587690014 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690045 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690046 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 ZINC000587690047 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 ZINC000587690048 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690098 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690099 KK Annotated Reactive CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690100 KK Annotated Reactive CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690101 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690122 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690123 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690124 KK Annotated Reactive COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690125 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587690134 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587690135 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587690136 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587690137 KK Annotated Reactive Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690945 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690946 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690947 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587690948 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(Cl)cccc1Cl ZINC000587690965 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(Cl)cccc1Cl ZINC000587690966 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(Cl)cccc1Cl ZINC000587690967 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(Cl)cccc1Cl ZINC000587690968 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690977 KK Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690978 KK Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690979 KK Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587690980 KK Annotated Bother Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587690993 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587690994 KK Annotated Anodyne Cc1ccc([C@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587690995 KK Annotated Anodyne Cc1ccc([C@@]2(COc3c(C(=O)c4ccc(Cl)c(C)c4Cl)c(C)nn3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587690996 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587691001 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587691002 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587691003 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587691004 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691021 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691022 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691023 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691024 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587691033 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587691034 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587691035 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587691036 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587691041 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587691042 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587691043 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587691044 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587691073 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587691074 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587691075 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587691076 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587691105 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587691106 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587691107 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587691108 KK Annotated Bother CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587691117 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587691118 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587691119 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587691120 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691149 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691150 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691151 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691152 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587691173 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587691174 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587691175 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587691176 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691195 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cccc1Cl ZINC000587691202 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691203 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cccc1Cl ZINC000587691204 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691205 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cccc1Cl ZINC000587691206 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587691207 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cccc1Cl ZINC000587691208 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587691214 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(/C=C/c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587691219 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587691220 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587691221 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691250 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691251 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691252 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1Cl ZINC000587691253 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587691266 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587691267 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587691268 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587691269 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587691289 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587691290 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587691291 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587691292 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587691293 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587691294 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587691295 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587691296 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587691297 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587691298 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587691299 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587691300 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691301 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691302 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691303 KK Annotated Anodyne COC(=O)c1ccc(-c2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587691304 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587691389 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587691390 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587691391 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587691392 KK Annotated Anodyne Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587691405 KK Annotated Bother Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587691406 KK Annotated Bother Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587691407 KK Annotated Bother Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587691408 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691442 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691443 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691444 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691446 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587691463 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587691465 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587691467 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587691469 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587691489 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587691490 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587691491 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587691492 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691497 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691498 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691499 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691500 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1Cl ZINC000587691505 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1Cl ZINC000587691506 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1Cl ZINC000587691507 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(Cl)c1Cl ZINC000587691508 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691533 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691534 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691535 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691536 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587691537 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587691538 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587691539 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587691540 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587691541 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587691542 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587691543 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587691544 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587691545 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587691546 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587691547 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587691548 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587691549 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587691550 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587691551 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587691552 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587691565 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587691566 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587691567 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587691568 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587691581 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587691582 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587691583 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587691584 KK Annotated Reactive Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587691625 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587691626 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587691627 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587691628 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587691629 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587691630 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587691631 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587691632 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587691637 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587691638 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587691639 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C2CCOCC2)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587691640 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691653 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691654 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691655 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691656 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587691677 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587691678 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587691679 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587691680 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691685 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691686 KK Annotated Anodyne Cc1nn(C)c(OC[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691687 KK Annotated Anodyne Cc1nn(C)c(OC[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C(=O)c1ccc(Cl)cc1Cl ZINC000587691688 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587691689 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587691690 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587691691 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587691692 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691701 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691702 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691703 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)O)n(C)c2)(c2ccc(Cl)cc2Cl)N1 ZINC000587691704 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1Cl ZINC000587691713 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1Cl ZINC000587691714 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1Cl ZINC000587691715 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1Cl ZINC000587691716 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691729 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691730 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691731 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587691732 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)N1 ZINC000587691785 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)N1 ZINC000587691786 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691787 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691788 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691789 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(Cl)c(Cl)cc1Cl ZINC000587691790 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691791 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691792 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691793 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2cc(Cl)cc(Cl)c2N)(c2ccccc2)N1 ZINC000587691794 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587691839 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587691840 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587691841 KK Annotated Anodyne Cc1cc(C)c(NC(=O)C[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587691842 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587691843 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587691844 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1Cl ZINC000587691846 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1Cl ZINC000587691848 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1Cl ZINC000587691850 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(Cl)c1Cl ZINC000587691852 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@@]13N[C@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587691860 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691870 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587691871 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587691872 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691873 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)N2 ZINC000587691874 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691875 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587691876 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587691894 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587691895 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587691898 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587691900 KK Annotated Mild COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691910 KK Annotated Anodyne COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691911 KK Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691914 KK Annotated Anodyne COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587691916 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587691918 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587691929 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587691931 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587691933 KK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587691949 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587691952 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587692001 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692005 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692006 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587692009 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692010 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692012 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587692013 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692014 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587692015 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692017 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692019 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587692082 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587692086 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587692088 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587692090 KK Annotated Bother Cc1nn(CC[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl ZINC000587692133 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl ZINC000587692134 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl ZINC000587692135 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1Cl ZINC000587692136 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587692137 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587692138 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587692139 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587692140 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@@]13N[C@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587692141 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587692142 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587692143 KK Annotated Anodyne Cc1noc2c1[C@H](c1ccccc1Cl)C1=C(CC(C)(C)C[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)N2 ZINC000587692144 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587692218 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587692219 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587692220 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1Cl ZINC000587692221 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587692236 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587692239 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587692245 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587692247 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587692249 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587692250 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587692252 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587692254 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587692266 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692270 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692271 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692273 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692274 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587692283 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587692287 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587692290 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692293 KK Annotated Bother Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587692294 KK Annotated Bother Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587692296 KK Annotated Bother Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587692299 KK Annotated Bother Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587692301 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692334 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692338 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692344 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692348 KK Annotated Bother CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692355 KK Annotated Anodyne COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692356 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692358 KK Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587692362 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692365 KK Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692368 KK Annotated Bother COC(=O)c1ccccc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692370 KK Annotated Bother COC(=O)c1ccccc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692373 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692374 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692388 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692393 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692395 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587692398 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692400 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692404 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587692422 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587692430 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692433 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692437 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692441 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692445 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587692454 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587692456 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587692458 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587692459 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587692463 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587692472 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587692475 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587692479 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587692604 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587692608 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587692611 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587692613 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587692625 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587692626 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587692627 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587692628 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692641 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692642 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692643 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587692644 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587692645 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1 ZINC000587692646 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692651 KK Annotated Bother CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692652 KK Annotated Bother CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692653 KK Annotated Bother CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587692654 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587692673 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587692679 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587692681 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587692683 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587692685 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587692697 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587692700 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587692702 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587692704 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587692714 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587692716 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587692718 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OCC(=O)O)cc2O1 ZINC000587692729 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OCC(=O)O)cc2O1 ZINC000587692741 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OCC(=O)O)cc2O1 ZINC000587692744 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(OCC(=O)O)cc2O1 ZINC000587692749 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587692771 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692776 KK Annotated Reactive CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692777 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587692779 KK Annotated Anodyne CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692781 KK Annotated Reactive CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692783 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587692784 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587692786 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587692789 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587692801 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Cl)cc2O1 ZINC000587692803 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587692807 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Cl)cc2O1 ZINC000587692808 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587692810 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)N1 ZINC000587692811 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Cl)cc2O1 ZINC000587692812 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)Nc3cc(Cl)ccc3Cl)CC2)N1 ZINC000587692814 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(Cl)cc2O1 ZINC000587692817 KK Annotated Anodyne Cc1ccc(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)cc1[N+](=O)[O-] ZINC000587692852 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692858 KK Annotated Bother Cc1ccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)cc1[N+](=O)[O-] ZINC000587692860 KK Annotated Bother Cc1ccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)cc1[N+](=O)[O-] ZINC000587692862 KK Annotated Bother Cc1ccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)cc1[N+](=O)[O-] ZINC000587692863 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692865 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692867 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587692870 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587692882 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587692883 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587692885 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587692888 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587692891 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1 ZINC000587692894 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1 ZINC000587692897 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587692898 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1 ZINC000587692899 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1 ZINC000587692902 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587692905 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587692912 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587692985 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587692988 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587692989 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587692991 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587693017 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587693019 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587693021 KK Annotated Anodyne CC1=C(c2ccccc2Cl)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587693025 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693082 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693083 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693084 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693087 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587693107 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587693108 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587693109 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587693110 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587693119 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587693120 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587693121 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1Cl ZINC000587693122 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587693165 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587693166 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587693167 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c(Cl)cc(Cn3nnc(C(N)=O)c3N)cc2Cl)N1 ZINC000587693168 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693178 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693180 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693182 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(O)ccc2Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587693184 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587693185 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587693186 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587693187 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3ncccn23)N1 ZINC000587693188 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693197 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693201 KK Annotated Bother COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587693202 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693203 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693204 KK Annotated Bother COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587693205 KK Annotated Anodyne COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587693209 KK Annotated Anodyne COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587693213 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693215 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693218 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693220 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(/C=C/c2ccc(Cl)c(Cl)c2)(/C=C/c2ccc(Cl)c(Cl)c2)N1 ZINC000587693222 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587693285 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587693287 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587693289 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587693292 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693298 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693300 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693304 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693306 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693307 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693311 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693314 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693317 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693372 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693374 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693376 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587693378 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587693379 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587693381 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587693384 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587693387 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587693407 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587693422 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587693428 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587693430 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587693434 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587693438 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587693440 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587693442 KK Annotated Clean CCCCCn1cc([C@]2(Cc3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587693497 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587693508 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587693510 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587693512 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587693535 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587693539 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587693541 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587693543 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587693629 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587693631 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587693649 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587693650 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587693651 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)N1 ZINC000587693652 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cccc1Cl ZINC000587693669 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cccc1Cl ZINC000587693670 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cccc1Cl ZINC000587693671 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cccc1Cl ZINC000587693672 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693697 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693698 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693699 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c1OCc1ccccc1Cl ZINC000587693700 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587693712 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(Cl)c(Cl)c([N+](=O)[O-])c3c2OCCO3)N1 ZINC000587693714 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587693715 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587693717 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587693719 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nn(Cc3c(Cl)cccc3Cl)cc2-c2ccccc2)N1 ZINC000587693722 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693820 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693824 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693829 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693834 KK Annotated Anodyne C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693841 KK Annotated Anodyne C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587693848 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](C)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587693851 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)([C@@H](C)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587693855 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693867 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693868 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693870 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c([N+](=O)[O-])c2)N1 ZINC000587693873 KK Annotated Bother COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587693880 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587693895 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587693901 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587693905 KK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1Cl ZINC000587693937 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1Cl ZINC000587693948 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1Cl ZINC000587693951 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccccc1Cl ZINC000587693955 KK Annotated Mild COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587693958 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587693962 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587693965 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587693968 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)c(C)c1 ZINC000587693973 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)c(C)c1 ZINC000587693977 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)c(C)c1 ZINC000587693980 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)c(C)c1 ZINC000587693984 KK Annotated Anodyne Cc1ccc(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)cc1[N+](=O)[O-] ZINC000587693988 KK Annotated Bother Cc1ccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)cc1[N+](=O)[O-] ZINC000587693990 KK Annotated Bother Cc1ccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)cc1[N+](=O)[O-] ZINC000587693992 KK Annotated Bother Cc1ccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)cc1[N+](=O)[O-] ZINC000587693995 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694009 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694012 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694013 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694015 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694037 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694041 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694043 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694045 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694047 KK Annotated Anodyne CCOc1ccc(-c2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587694049 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694050 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694051 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587694052 KK Annotated Anodyne CCOc1ccc(-c2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587694053 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587694054 KK Annotated Bother CCOc1ccc(-c2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587694055 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587694056 KK Annotated Bother CCOc1ccc(-c2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587694058 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587694060 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587694063 KK Annotated Bother COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694065 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694068 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694072 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694075 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694102 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694103 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694104 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@]2(Cc3ccc(Cl)cc3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694106 KK Annotated Anodyne C=C(CC)[C@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694153 KK Annotated Mild C=C(CC)[C@@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694154 KK Annotated Mild C=C(CC)[C@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694155 KK Annotated Mild C=C(CC)[C@@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694156 KK Annotated Mild CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1 ZINC000587694157 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1 ZINC000587694158 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1 ZINC000587694159 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1 ZINC000587694160 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694169 KK Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694170 KK Annotated Bother CCOC(=O)C[C@@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694171 KK Annotated Bother CCOC(=O)C[C@]1(c2cc([N+](=O)[O-])c(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694172 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cccc1Cl ZINC000587694177 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cccc1Cl ZINC000587694178 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cccc1Cl ZINC000587694179 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cccc1Cl ZINC000587694180 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587694213 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587694214 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587694215 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)cc1C(C)C ZINC000587694216 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587694217 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587694218 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587694219 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587694220 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587694241 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587694242 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587694243 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(Cl)c([N+](=O)[O-])c2)N1 ZINC000587694244 KK Annotated Bother CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587694311 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587694314 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587694318 KK Annotated Anodyne CO[C@H]1O[C@H](COCc2ccc(Cl)cc2Cl)[C@@H](OCc2ccc(Cl)cc2Cl)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587694322 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694325 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694328 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694332 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587694335 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587694340 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587694343 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587694346 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587694349 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1C ZINC000587694381 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587694383 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1C ZINC000587694384 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1C ZINC000587694387 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587694390 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1C ZINC000587694392 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587694395 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587694400 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587694409 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587694419 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587694422 KK Annotated Clean CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587694424 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587694428 KK Annotated Clean CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587694429 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587694432 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587694433 KK Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587694436 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587694439 KK Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587694440 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587694444 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587694445 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587694450 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587694454 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587694458 KK Annotated Clean COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694469 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694472 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694474 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694476 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694477 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694480 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694481 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694485 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694488 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694491 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694495 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587694497 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587694499 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587694501 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587694505 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587694510 KK Annotated Bother COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694525 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694527 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694530 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(Cl)c(Cl)c1 ZINC000587694533 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694547 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694551 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694554 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587694558 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694561 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694570 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694574 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587694577 KK Annotated Reactive CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Cl)cc2O1 ZINC000587694608 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Cl)cc2O1 ZINC000587694612 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Cl)cc2O1 ZINC000587694615 KK Annotated Anodyne CC(C)[C@@H](NC(=O)OC(C)(C)C)C1=C(Cc2ccccc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(Cl)cc2O1 ZINC000587694617 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587694689 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587694690 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587694691 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl ZINC000587694692 KK Annotated Reactive Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587694693 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587694694 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587694695 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587694696 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587694713 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587694714 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587694715 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587694716 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694764 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694765 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694767 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587694769 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587694771 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587694773 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587694775 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587694777 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)c(C)c2O1 ZINC000587694808 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)c(C)c2O1 ZINC000587694813 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)c(C)c2O1 ZINC000587694816 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)c(C)c2O1 ZINC000587694818 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587694822 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587694826 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587694828 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587694831 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587694848 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587694866 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587694868 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587694873 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1C ZINC000587694889 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1C ZINC000587694894 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1C ZINC000587694899 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1C ZINC000587694904 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694939 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694942 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587694944 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694946 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694949 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587694958 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587694962 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587694967 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587694979 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694980 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587694996 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695002 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695007 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587695036 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587695042 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587695049 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587695067 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587695071 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587695075 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587695079 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587695083 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587695087 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587695090 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587695094 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695137 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695138 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695139 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695141 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695143 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695145 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695147 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587695149 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695151 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)N1 ZINC000587695156 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)N1 ZINC000587695158 KK Annotated Anodyne C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695161 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587695198 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587695199 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587695200 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Oc2ccc(Cl)cc2)n2ccnc2)(C(C)(C)C)N1 ZINC000587695201 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587695203 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587695209 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587695212 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587695213 KK Annotated Anodyne Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695245 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695246 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695247 KK Annotated Bother Cc1c(C=O)c2ccccn2c1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695248 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(Cl)cccc1Cl ZINC000587695277 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(Cl)cccc1Cl ZINC000587695278 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(Cl)cccc1Cl ZINC000587695279 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(Cl)cccc1Cl ZINC000587695280 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587695281 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587695282 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587695283 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(Cl)cccc1Cl ZINC000587695284 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587695317 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587695318 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587695319 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)ccc2Cl)N1 ZINC000587695320 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587695325 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587695326 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587695327 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587695328 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695333 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695334 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695335 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2cc(Cl)ccc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695336 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587695383 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587695384 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587695386 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=NNc2ccc(Cl)cc2[N+](=O)[O-])C(=O)Nc2ccccc2Cl)N1 ZINC000587695387 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587695415 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587695418 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587695421 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCc3ccc(Cl)cc3Cl)c2)N1 ZINC000587695424 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587695470 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587695486 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587695488 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587695490 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)c(C)c2O1 ZINC000587695491 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587695492 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)c(C)c2O1 ZINC000587695494 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587695496 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)c(C)c2O1 ZINC000587695497 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587695499 KK Annotated Anodyne CC1=C(Oc2ccccc2Cl)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)c(C)c2O1 ZINC000587695501 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587695502 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587695534 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587695537 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587695539 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1Cl ZINC000587695542 KK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695580 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587695581 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587695582 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587695583 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587695584 KK Annotated Anodyne Cc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695587 KK Annotated Clean Cc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695589 KK Annotated Clean Cc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587695592 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587695609 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587695617 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587695619 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587695621 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587695635 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587695669 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587695672 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587695675 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Cl)c1 ZINC000587695706 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Cl)c1 ZINC000587695720 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Cl)c1 ZINC000587695721 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(Cl)c1 ZINC000587695723 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587695791 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587695792 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587695793 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587695794 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587695867 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587695869 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587695871 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587695874 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695886 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695891 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695894 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587695896 KK Annotated Anodyne COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587695907 KK Annotated Anodyne COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587695910 KK Annotated Anodyne COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587695912 KK Annotated Anodyne COc1ccc(C2=C(N)Oc3ccc(Cl)cc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587695915 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587695924 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587695926 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587695927 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cc(Cl)c(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587695928 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587695951 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587695952 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587695953 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587695954 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695978 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695980 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695982 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587695984 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695986 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695989 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695991 KK Annotated Anodyne CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587695994 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1Cl ZINC000587696066 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1Cl ZINC000587696067 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1Cl ZINC000587696069 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(Cl)cc1Cl ZINC000587696070 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl ZINC000587696085 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl ZINC000587696087 KK Annotated Anodyne Cc1nn(CC[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl ZINC000587696090 KK Annotated Anodyne Cc1nn(CC[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1Cl ZINC000587696092 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1Cl ZINC000587696111 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696114 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696115 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696116 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696117 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1Cl ZINC000587696120 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1Cl ZINC000587696121 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccccc1Cl ZINC000587696122 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1Cl ZINC000587696127 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1Cl ZINC000587696128 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1Cl ZINC000587696129 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccccc1Cl ZINC000587696130 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587696173 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587696174 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587696175 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587696176 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(Cl)cc1 ZINC000587696181 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(Cl)cc1 ZINC000587696182 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(Cl)cc1 ZINC000587696183 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(Cl)cc1 ZINC000587696184 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587696241 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587696246 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587696249 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587696251 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587696253 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587696255 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587696257 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587696259 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587696281 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587696283 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587696285 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587696287 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587696304 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587696306 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587696308 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Cl)c2OC(=O)c2ccccc2)N1 ZINC000587696310 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696327 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696335 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696337 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696341 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587696376 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587696381 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587696386 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587696391 KK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587696433 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587696443 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587696446 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587696449 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587696491 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587696493 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587696495 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1c(Cl)cccc1Cl)C(C)(C)OC2(C)C ZINC000587696498 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696500 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696502 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587696503 KK Annotated Clean COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696504 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696505 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587696506 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587696507 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587696508 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587696509 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587696510 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587696511 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587696512 KK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Cl ZINC000587696555 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Cl ZINC000587696557 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Cl ZINC000587696559 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)cc1Cl ZINC000587696561 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696580 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696583 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696586 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1Cl)[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587696589 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696596 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696598 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696600 KK Annotated Anodyne CCc1c(C(=O)NCc2cc(Cl)ccc2C)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696602 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587696635 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587696637 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587696639 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1Cl ZINC000587696641 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1Cl ZINC000587696647 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1Cl ZINC000587696649 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1Cl ZINC000587696651 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccccc1Cl ZINC000587696653 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696655 KK Annotated Anodyne COc1ccc(C(=O)[C@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696657 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696659 KK Annotated Anodyne COc1ccc(C(=O)[C@@]2(c3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587696661 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696687 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696690 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696692 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587696694 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587696733 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587696734 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587696735 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587696736 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587696737 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587696738 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587696739 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587696740 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696767 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696768 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696769 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587696770 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696797 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696798 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696799 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587696800 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696817 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696818 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696819 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587696820 KK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(c3cc(Cl)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696831 KK Annotated Clean Cc1cccc(C(=O)C[C@@]2(c3cc(Cl)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696833 KK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3cc(Cl)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696836 KK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3cc(Cl)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587696838 KK Annotated Clean CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696847 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696849 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696851 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(Cl)c1 ZINC000587696853 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696925 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696927 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696929 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3c(Cl)cc(Cl)cc3Cl)o2)N1 ZINC000587696931 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696956 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696957 KK Annotated Anodyne COc1ccc(C[C@]2(c3cc(Cl)ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696958 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cc(Cl)ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587696959 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587697045 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587697046 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587697047 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587697048 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2oc1=O ZINC000587697109 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2oc1=O ZINC000587697110 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2oc1=O ZINC000587697111 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2oc1=O ZINC000587697112 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587697130 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587697131 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587697132 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587697134 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587697136 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587697138 KK Annotated Anodyne Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@H](C)Cc3cc(Br)c(F)cc35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587697139 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587697140 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CO)OC=C2OCc2ccc(Cl)c(Cl)c2)N1 ZINC000587697141 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587697146 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587697147 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587697148 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587697149 KK Annotated Anodyne Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@@H](C)Cc3cc(Br)c(F)cc35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587697156 KK Annotated Clean Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@H](C)Cc3cc(Br)c(F)cc35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587697163 KK Annotated Clean COc1cccc(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)c1 ZINC000587697165 KK Annotated Anodyne Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@@H](C)Cc3cc(Br)c(F)cc35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587697167 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587697171 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587697173 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587697174 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2Cl)(c2ccccc2Cl)N1 ZINC000587697176 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)c1 ZINC000587697180 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)c1 ZINC000587697183 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Cl)c1 ZINC000587697186 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1Cl ZINC000587697195 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1Cl ZINC000587697197 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1Cl ZINC000587697199 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1Cl ZINC000587697202 KK Annotated Anodyne C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697228 KK Annotated Anodyne C[C@H](C(=O)c1ccc(Cl)c(Cl)c1)[C@]1(c2ccc(Cl)c(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697231 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](C)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587697233 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)([C@@H](C)C(=O)c2ccc(Cl)c(Cl)c2)N1 ZINC000587697235 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587697245 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587697248 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587697250 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)N1 ZINC000587697253 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697255 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697257 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697260 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 ZINC000587697262 KK Annotated Reactive COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587697281 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587697283 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587697285 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587697287 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587697302 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587697305 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587697307 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1Cl ZINC000587697309 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587697327 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587697330 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587697331 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587697332 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587697403 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587697407 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587697410 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)N1 ZINC000587697413 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697427 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697430 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697433 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cc(Cl)ccc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587697435 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cccc1Cl ZINC000587697470 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cccc1Cl ZINC000587697473 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cccc1Cl ZINC000587697477 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(Cl)cccc1Cl ZINC000587697480 KK Annotated Anodyne Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587697518 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587697521 KK Annotated Bother Cc1ccc([C@@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587697523 KK Annotated Bother Cc1ccc([C@]2(c3cc([N+](=O)[O-])ccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587697526 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587697529 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587697532 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587697535 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)c(Cl)c(C)c1 ZINC000587697538 KK Annotated Anodyne C=C(CC)[C@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697565 KK Annotated Mild C=C(CC)[C@@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697569 KK Annotated Mild C=C(CC)[C@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697571 KK Annotated Mild C=C(CC)[C@@]1(c2ccc(OCC(=O)O)c(Cl)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587697573 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587697598 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587697600 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587697602 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCO3)(c2cc(Cl)ccc2Cl)N1 ZINC000587697604 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2C(=O)c3ccccc3C2=O)([C@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587697649 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2C(=O)c3ccccc3C2=O)([C@@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587697650 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2C(=O)c3ccccc3C2=O)([C@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587697655 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2C(=O)c3ccccc3C2=O)([C@@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587697659 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587697706 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587697708 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587697710 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc3c(c2)CCC3)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587697713 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587697740 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587697743 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587697745 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587697747 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587697748 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587697749 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)N1 ZINC000587697751 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N1 ZINC000587697752 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)c(C)c1 ZINC000587697791 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)c(C)c1 ZINC000587697794 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)c(C)c1 ZINC000587697797 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(Cl)c(C)c1 ZINC000587697800 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697830 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697833 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697837 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3Cl)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587697839 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587697859 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587697862 KK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1Cl ZINC000587697865 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587697866 KK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1Cl ZINC000587697868 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587697869 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1Cl ZINC000587697871 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccccc1Cl ZINC000587697874 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587697902 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587697906 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587697909 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2Cl)N1 ZINC000587697912 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587697936 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587697937 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587697940 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)N1 ZINC000587697942 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587697949 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587697950 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587697951 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3cc(Cl)c(Cl)cc3Cl)n(C)c3ccccc23)N1 ZINC000587697952 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587697972 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587697974 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587697975 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c1OCc1ccccc1Cl ZINC000587697977 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698069 KK Annotated Reactive CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698073 KK Annotated Reactive CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698079 KK Annotated Reactive CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587698084 KK Annotated Reactive Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587698113 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587698115 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@@]3(c4ccc(Cl)c(C)c4Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587698119 KK Annotated Anodyne Cc1ccc(C(=O)COc2c([C@]3(c4ccc(Cl)c(C)c4Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587698124 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587698137 KK Annotated Bother Cc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587698140 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587698141 KK Annotated Bother Cc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587698143 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587698144 KK Annotated Bother Cc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587698146 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587698148 KK Annotated Bother Cc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587698150 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587698153 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587698167 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587698168 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587698169 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587698170 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587698172 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587698175 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587698178 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Cl)c1 ZINC000587698203 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Cl)c1 ZINC000587698205 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Cl)c1 ZINC000587698207 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(Cl)c1 ZINC000587698209 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587698303 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587698305 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587698306 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587698309 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N1 ZINC000587698311 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587698320 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 ZINC000587698324 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 ZINC000587698326 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587698328 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587698330 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587698332 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587698333 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587698335 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587698336 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587698337 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(c2ccccc2C(=O)O)N1 ZINC000587698338 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587698339 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587698346 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587698350 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587698355 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587698370 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587698372 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587698373 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587698374 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587698375 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587698376 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587698377 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@]2(Cc3ccc(Cl)c(Cl)c3)CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587698378 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)N1 ZINC000587698379 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587698398 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587698399 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587698403 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587698420 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587698423 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587698425 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587698426 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587698427 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587698428 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587698429 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587698430 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587698432 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587698433 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(Cl)cc2)(c2ccc(Cl)cc2Cl)N1 ZINC000587698435 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc2c(cc1Cl)OCO2 ZINC000587698436 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587698471 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587698473 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587698476 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587698479 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587698529 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587698532 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587698535 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3ccc(Cl)cc3Cl)c2)N1 ZINC000587698538 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587698571 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587698573 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587698575 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)o2)N1 ZINC000587698577 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587698579 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587698581 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587698584 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(Cl)cc(Cl)cc1Cl ZINC000587698586 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587698596 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587698599 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587698602 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1c(Cl)cccc1Cl)c1ccccc12 ZINC000587698604 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587698631 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587698633 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587698636 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3cc(Cl)ccc3Cl)[nH]c3ccccc23)N1 ZINC000587698638 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587698670 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587698673 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587698676 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(Cl)cc(Cl)cc1Cl ZINC000587698679 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587698768 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587698770 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587698772 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587698773 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587698832 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587698835 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587698838 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000587698840 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587698849 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587698851 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587698855 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587698857 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587698879 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587698893 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587698895 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587698898 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587698901 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587698904 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587698908 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)N1 ZINC000587698912 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587698928 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587698931 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587698935 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(CCOc3ccccc3Cl)c3ccccc23)N1 ZINC000587698938 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587698939 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587698941 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587698942 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587698943 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2ccccc2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587698945 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587698948 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587698949 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587698950 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587698951 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587698952 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587698953 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587698954 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587698955 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587698956 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c[nH]1 ZINC000587698957 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(Cl)cc32)N1 ZINC000587698960 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698968 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698971 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698975 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Cl)c(Cl)c2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587698978 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699015 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699018 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699021 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699023 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587699107 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587699109 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587699111 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc([N+](=O)[O-])c(Cl)c1C ZINC000587699113 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587699116 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587699119 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587699122 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587699124 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699128 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699129 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699241 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699243 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587699257 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587699259 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587699261 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587699262 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587699264 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587699266 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000587699268 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)N1 ZINC000587699269 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699291 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699294 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699297 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)cc1OCc1ccccc1Cl ZINC000587699300 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587699378 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587699383 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587699387 KK Annotated Anodyne Cc1c(C)c2cc(Cl)c(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2oc1=O ZINC000587699391 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587699395 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587699400 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587699401 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587699404 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587699407 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587699410 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587699412 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587699413 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587699419 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2[C@@H]1CC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000587699423 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587699427 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587699431 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587699434 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2C1CCC(c2ccc(Cl)cc2)CC1 ZINC000587699435 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587699438 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(Cl)cc2Cl)(c2ccc(Cl)cc2)N1 ZINC000587699440 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587699479 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587699485 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587699489 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H](Oc2ccc(Cl)cc2)n2cncn2)(C(C)(C)C)N1 ZINC000587699493 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587699546 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587699551 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587699555 KK Annotated Anodyne Cc1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587699556 KK Annotated Anodyne Cc1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587699559 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587699564 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587699568 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587699573 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587699849 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587699850 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587699851 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1ccc(Cl)cc1Cl)c1ccccc12 ZINC000587699852 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699857 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699858 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@]1(c2ccc(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699859 KK Annotated Anodyne Cc1nn(C)c(OCC(=O)c2ccccc2)c1[C@@]1(c2ccc(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587699860 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699865 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699866 KK Annotated Anodyne COc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699867 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587699868 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587699873 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587699874 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587699875 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 ZINC000587699876 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587699885 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587699886 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587699887 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(Cl)c(Cl)c2)(c2ccc(O)cc2)N1 ZINC000587699888 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699901 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699902 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699903 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587699905 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587699931 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587699933 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587699936 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)N1 ZINC000587699938 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699963 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699965 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699966 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COc2ccc(C=O)cc2)(c2ccc(Cl)c(Cl)c2)N1 ZINC000587699967 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587700018 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587700023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587700027 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000587700032 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700059 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)/C2=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700062 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700067 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700071 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1Cl ZINC000587700075 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587700076 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1Cl ZINC000587700078 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587700079 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1Cl ZINC000587700081 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587700082 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccccc1Cl ZINC000587700084 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)N1 ZINC000587700086 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587700143 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587700146 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587700148 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587700149 KK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3cc(Cl)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700189 KK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3cc(Cl)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700191 KK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3cc(Cl)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700194 KK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3cc(Cl)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587700195 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587700221 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587700222 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587700223 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(Cl)cc1)=COc1cc(O)ccc12 ZINC000587700224 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587700424 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587700433 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587700435 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587700437 KK Annotated Unstable COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Cl ZINC000587700560 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Cl ZINC000587700562 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Cl ZINC000587700565 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(Cl)cc1Cl ZINC000587700566 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587700567 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587700568 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587700569 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587700570 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587700581 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587700583 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587700585 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)N1 ZINC000587700587 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700588 KK Annotated Anodyne COC(=O)c1cc([C@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700590 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700592 KK Annotated Anodyne COC(=O)c1cc([C@@]2(c3ccc(Cl)cc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c[nH]1 ZINC000587700594 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1Cl ZINC000587700595 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1Cl ZINC000587700597 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1Cl ZINC000587700599 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccccc1Cl ZINC000587700602 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1Cl ZINC000587700629 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1Cl ZINC000587700632 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1Cl ZINC000587700634 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(Cl)cc1Cl ZINC000587700635 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)c1 ZINC000587700642 KK Annotated Anodyne COc1cccc(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)c1 ZINC000587700643 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)c1 ZINC000587700644 KK Annotated Anodyne COc1cccc(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Cl)c1 ZINC000587700646 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587700648 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587700651 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587700653 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccc(Cl)cc1Cl)=COc1cc(O)ccc12 ZINC000587700655 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587700681 KK Annotated Anodyne COc1ccc([C@@]2(C(=O)c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587700683 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587700685 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587700686 KK Annotated Anodyne COc1ccc([C@]2(C(=O)c3ccccc3Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587700687 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587700688 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587700690 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)N1 ZINC000587700692 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587700754 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587700756 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587700758 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(/C(=C/c2ccc(Cl)cc2)c2ccc3ccccc3n2)N1 ZINC000587700760 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587700770 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587700772 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587700774 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587700776 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700785 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700789 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700791 KK Annotated Anodyne Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@H](C)Cc3ccc(F)c(Br)c35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587700792 KK Annotated Clean COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587700793 KK Annotated Anodyne Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@@H](C)Cc3ccc(F)c(Br)c35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587700795 KK Annotated Clean Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@H](C)Cc3ccc(F)c(Br)c35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587700796 KK Annotated Clean Cc1ccc(N(CC(=O)O)CC(=O)O)c(OCCOc2cc(C3=C4C=C(Cl)[C@@]5(C=C4Oc4cc(O)c(Cl)cc43)N[C@@H](C)Cc3ccc(F)c(Br)c35)ccc2N(CC(=O)O)CC(=O)O)c1 ZINC000587700799 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700834 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700836 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700838 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)N1 ZINC000587700839 KK Annotated Anodyne CCc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700846 KK Annotated Clean CCc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700847 KK Annotated Clean CCc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700849 KK Annotated Clean CCc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587700850 KK Annotated Clean CCOc1ccc(-c2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587700910 KK Annotated Anodyne CCOc1ccc(-c2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587700913 KK Annotated Anodyne CCOc1ccc(-c2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587700915 KK Annotated Anodyne CCOc1ccc(-c2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)[nH]c3ccc(Cl)cc23)cc1 ZINC000587700917 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587700920 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587700921 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587700922 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587700923 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587701026 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587701029 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587701033 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587701036 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587701082 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587701095 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587701099 KK Annotated Unstable CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587701100 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587701104 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587701108 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587701117 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587701125 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587701133 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587701144 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587701148 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587701153 KK Annotated Anodyne COc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587701310 KK Annotated Anodyne COc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587701317 KK Annotated Anodyne COc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587701320 KK Annotated Anodyne COc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587701324 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1Cl ZINC000587701346 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1Cl ZINC000587701349 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1Cl ZINC000587701351 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccccc1Cl ZINC000587701353 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587701434 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587701435 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587701436 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(-c3ccc(Cl)cc3)o2)N1 ZINC000587701437 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587701438 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587701440 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587701441 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587701442 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587701462 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587701464 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587701465 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587701466 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587701467 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587701468 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(Cl)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587701469 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccc(Cl)cc2)N1 ZINC000587701470 KK Annotated Anodyne Cc1cccc(C(=O)C[C@]2(c3cc(Cl)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701615 KK Annotated Clean Cc1cccc(C(=O)C[C@]2(c3cc(Cl)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701618 KK Annotated Clean COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587701619 KK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(c3cc(Cl)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701620 KK Annotated Clean COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587701621 KK Annotated Anodyne Cc1cccc(C(=O)C[C@@]2(c3cc(Cl)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587701622 KK Annotated Clean COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587701623 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587701625 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701681 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701694 KK Annotated Anodyne COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701697 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701699 KK Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701702 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701703 KK Annotated Anodyne COC(=O)C[C@@]1(c2c(-c3ccccc3Cl)noc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701706 KK Annotated Anodyne COC(=O)C[C@]1(c2c(-c3ccccc3Cl)noc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587701711 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701786 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701793 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701798 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587701804 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587701937 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587701939 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587701941 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCC(=O)O)cc2)(c2ccccc2Cl)N1 ZINC000587701943 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587702014 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587702015 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587702021 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587702027 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587702044 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587702048 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587702049 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587702050 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587702115 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587702116 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587702117 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587702118 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702161 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702162 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702163 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702164 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702165 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702166 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](C1CCC(c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702167 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587702168 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H]([C@@H]1CC[C@@H](c3ccc(Cl)cc3)CC1)C(=O)c1ccccc12 ZINC000587702169 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587702170 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702171 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587702172 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702173 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702174 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN2CCN(C(=O)OCc3cc(Cl)cc(Cl)c3)CC2)(c2ccc3nc(O)oc3c2)N1 ZINC000587702175 KK Annotated Anodyne CC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587702176 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587702195 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587702197 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587702199 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(Cl)cc1 ZINC000587702201 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587702203 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587702205 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587702207 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587702208 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587702209 KK Annotated Anodyne COC(=O)c1c(-c2ccc(Cl)cc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587702210 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@@](C)(O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587702211 KK Annotated Anodyne CCOC(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@H](C(=O)OCC)[C@](C)(O)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587702213 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587702235 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587702238 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587702241 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)CC(c2ccc(Cl)cc2)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587702243 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702331 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702332 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587702461 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587702466 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 ZINC000587702472 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 ZINC000587702477 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587702480 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587702485 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587702488 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587702491 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587702843 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccc(Cl)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587702845 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587702846 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccc(Cl)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587702847 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702874 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702875 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702876 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)CC(=O)Nc2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702877 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702907 KK Annotated Anodyne CCc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702909 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587702910 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587702912 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587702916 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587702917 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587702918 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(OCC(=O)O)cc2)N1 ZINC000587702921 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702949 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702950 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702951 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](C(=O)O)c2ccc(Cl)cc2)(c2ccccc2)N1 ZINC000587702952 KK Annotated Anodyne Cc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702957 KK Annotated Clean Cc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702958 KK Annotated Clean Cc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702959 KK Annotated Clean Cc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587702960 KK Annotated Clean CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587703005 KK Annotated Anodyne CC(C)c1ccc([C@@H](C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587703006 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587703007 KK Annotated Anodyne CC(C)c1ccc([C@@H](C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)O)cc1 ZINC000587703008 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587703224 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587703225 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587703226 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587703228 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(Cl)cc3)nc2-c2ccccc2)N1 ZINC000587703229 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587703234 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703322 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703325 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703329 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587703333 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587703347 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587703352 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587703357 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587703364 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2C(=O)c3ccccc3C2=O)([C@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587703435 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2C(=O)c3ccccc3C2=O)([C@@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587703436 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2C(=O)c3ccccc3C2=O)([C@@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587703437 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2C(=O)c3ccccc3C2=O)([C@H](c2ccccc2)c2ccc(Cl)cc2)N1 ZINC000587703438 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587703451 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587703452 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587703453 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3)nc3cc(Cl)ccn23)N1 ZINC000587703455 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703531 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703533 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703536 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587703538 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703587 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703588 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703589 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587703590 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OCC(=O)O)cc2O1 ZINC000587703697 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OCC(=O)O)cc2O1 ZINC000587703698 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OCC(=O)O)cc2O1 ZINC000587703699 KK Annotated Anodyne CC1=C(c2ccc(Cl)cc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(OCC(=O)O)cc2O1 ZINC000587703700 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703701 KK Annotated Bother CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703702 KK Annotated Bother CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703704 KK Annotated Bother CCOC(=O)C1=CN(C2CC2)c2cc(Cl)c([N+](=O)[O-])cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587703706 KK Annotated Bother CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587703818 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587703825 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587703828 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587703830 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587703906 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587703907 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587703908 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587703909 KK Annotated Mild CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704076 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704082 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704084 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587704085 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587704086 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587704088 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587704090 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587704091 KK Annotated Anodyne CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704153 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704154 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704155 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587704156 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=CN1CCO ZINC000587704165 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=CN1CCO ZINC000587704166 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=CN1CCO ZINC000587704167 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=CN1CCO ZINC000587704168 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704173 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704174 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704175 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587704176 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587704241 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587704243 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587704245 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587704247 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704300 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704301 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704302 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587704303 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587704325 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587704326 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587704327 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587704328 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587704345 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587704346 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587704347 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587704348 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587704360 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587704363 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587704364 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCNCC3)cc2)(c2cccc(Cl)c2)N1 ZINC000587704365 KK Annotated Clean CC(=O)N(C1=C(Cl)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O)C1CC1 ZINC000587704572 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O)C1CC1 ZINC000587704574 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O)C1CC1 ZINC000587704575 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O)C1CC1 ZINC000587704576 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704585 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704586 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704587 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704588 KK Annotated Anodyne CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=CN1CCO ZINC000587704593 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=CN1CCO ZINC000587704594 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=CN1CCO ZINC000587704595 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)C(=O)[C@](C)(OC(C)=O)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=CN1CCO ZINC000587704596 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587704634 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587704635 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587704636 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587704637 KK Annotated Anodyne COc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587704705 KK Annotated Anodyne COc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587704706 KK Annotated Anodyne COc1cc(C(=O)C[C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587704707 KK Annotated Anodyne COc1cc(C(=O)C[C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587704708 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587704709 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587704710 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587704711 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(Cl)cccc2Br)(C(F)(F)F)N1 ZINC000587704712 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587704753 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587704754 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587704755 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(Cl)c1 ZINC000587704756 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587704769 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587704770 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587704771 KK Annotated Anodyne COC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587704772 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587704801 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587704802 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587704803 KK Annotated Anodyne CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587704804 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587704857 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587704858 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587704859 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587704860 KK Annotated Anodyne CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)C1CC1 ZINC000587704903 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)C1CC1 ZINC000587704905 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)C1CC1 ZINC000587704908 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12)C1CC1 ZINC000587704909 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704971 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704980 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704988 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Cl)=Cc1ccc(NCCCO)c3cccc2c13 ZINC000587704990 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705046 KK Annotated Anodyne COc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587705047 KK Annotated Anodyne COc1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587705048 KK Annotated Anodyne COc1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587705049 KK Annotated Anodyne COc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587705050 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C=C2/N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587705071 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C=C2\N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587705072 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C=C2\N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587705073 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C=C2/N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587705074 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587705085 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587705086 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587705087 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587705088 KK Annotated Unstable CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705089 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705093 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705098 KK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3cc(Cl)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705213 KK Annotated Anodyne Cc1cccc([C@]2(CC(=O)c3cc(Cl)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705214 KK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3cc(Cl)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705215 KK Annotated Anodyne Cc1cccc([C@@]2(CC(=O)c3cc(Cl)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705216 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587705233 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587705234 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587705235 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2oc3cc([N+](=O)[O-])ccc3c2N)N1 ZINC000587705236 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705241 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705242 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705243 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705244 KK Annotated Anodyne CCOC(=O)C([C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587705330 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587705334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587705335 KK Annotated Anodyne CCOC(=O)C([C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587705336 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587705337 KK Annotated Anodyne CCOC(=O)C([C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587705338 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(Br)cc2)(C(F)(F)F)N1 ZINC000587705339 KK Annotated Anodyne CCOC(=O)C([C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587705340 KK Annotated Unstable COc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587705410 KK Annotated Anodyne COc1cc([C@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587705411 KK Annotated Anodyne COc1cc([C@]2(CC(=O)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587705412 KK Annotated Anodyne COc1cc([C@@]2(CC(=O)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587705414 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587705489 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587705492 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587705494 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587705496 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587705568 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587705569 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587705570 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](C(=O)O)c2cccc(Cl)c2)(c2ccccc2)N1 ZINC000587705571 KK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705592 KK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705593 KK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705594 KK Annotated Anodyne Cc1ccc(O)c(C(=O)C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587705595 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(Cl)cc1 ZINC000587705638 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(Cl)cc1 ZINC000587705639 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(Cl)cc1 ZINC000587705640 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(Cl)cc1 ZINC000587705641 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705652 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705654 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)C3(Cl)[C@@]4(Cl)C5(Cl)C(Cl)(Cl)C6(Cl)[C@@]4(Cl)C2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705655 KK Annotated Anodyne CCOC(=O)CC[C@]1(C[C@]2(O)[C@]3(Cl)[C@@]4(Cl)[C@@]5(Cl)C(Cl)(Cl)[C@@]6(Cl)[C@]4(Cl)[C@]2(Cl)[C@@]6(Cl)[C@]53Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587705656 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587705727 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587705728 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587705729 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)N1 ZINC000587705730 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587705793 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587705794 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587705795 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587705796 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587705805 KK Annotated Anodyne CC(C)c1ccc([C@@H](C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587705807 KK Annotated Anodyne CC(C)c1ccc([C@H](C[C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587705808 KK Annotated Anodyne CC(C)c1ccc([C@@H](C[C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)O)cc1 ZINC000587705810 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705813 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705815 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705817 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2ccc(OC(C)(C)C(=O)O)cc2)N1 ZINC000587705819 KK Annotated Anodyne CCc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705880 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587705882 KK Annotated Anodyne CCc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705883 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587705884 KK Annotated Anodyne CCc1ccc(O)c([C@]2(CC(=O)c3ccc(Cl)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705885 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587705886 KK Annotated Anodyne CCc1ccc(O)c([C@@]2(CC(=O)c3ccc(Cl)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587705887 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(Br)cc2)N1 ZINC000587705888 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705889 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705891 KK Annotated Anodyne CCOC(=O)CCCCCC[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705892 KK Annotated Anodyne CCOC(=O)CCCCCC[C@]1(c2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587705894 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705896 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705899 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705902 KK Annotated Anodyne CC(C)OC(=O)C(C)(C)OC(=O)C(C)(C)Oc1ccc([C@@]2(c3ccc(Cl)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587705904 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587705920 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587705921 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587705923 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Cl)c2)(c2cccc(Cl)c2)N1 ZINC000587705925 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587706190 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587706191 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587706193 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)(C(F)(F)F)N1 ZINC000587706194 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706369 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706370 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706373 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706374 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587706513 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587706515 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587706517 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2Br)(C(F)(F)F)N1 ZINC000587706519 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587706527 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587706529 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587706531 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=C(Sc2ccccc2)Sc2ccccc2)(C(F)(F)F)N1 ZINC000587706534 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587706544 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587706546 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587706547 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2cccc(Br)c2)N1 ZINC000587706549 KK Annotated Anodyne CC(=O)Oc1ccc(N=C2C=C(Cl)C3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(Cl)=C2)cc1 ZINC000587706576 KK Annotated Mild CC(=O)Oc1ccc(N=C2C=C(Cl)C3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(Cl)=C2)cc1 ZINC000587706582 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587706619 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587706621 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587706625 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587706626 KK Annotated Mild CC(=O)Oc1ccc(N=C2C=C(Cl)C3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(Cl)=C2)cc1 ZINC000587706627 KK Annotated Mild CC(=O)Oc1ccc(N=C2C=C(Cl)C3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(Cl)=C2)cc1 ZINC000587706630 KK Annotated Mild Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587706771 KK Annotated Clean Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587706772 KK Annotated Clean Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587706773 KK Annotated Clean Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 ZINC000587706774 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587706837 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587706838 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587706839 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587706840 KK Annotated Unstable CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706928 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706929 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706930 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587706931 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587706956 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587706957 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587706958 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587706959 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707060 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707061 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707062 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3cc(S(=O)(=O)Cl)ccc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707063 KK Annotated Unstable CC(=O)N(C1=C(Cl)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O)C1CC1 ZINC000587707156 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O)C1CC1 ZINC000587707158 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O)C1CC1 ZINC000587707159 KK Annotated Mild CC(=O)N(C1=C(Cl)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O)C1CC1 ZINC000587707160 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)C1CC1 ZINC000587707249 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)C1CC1 ZINC000587707251 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)C1CC1 ZINC000587707253 KK Annotated Mild CC(=O)N(C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12)C1CC1 ZINC000587707255 KK Annotated Mild Cc1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587707257 KK Annotated Clean Cc1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587707258 KK Annotated Clean Cc1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587707259 KK Annotated Clean Cc1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 ZINC000587707262 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C=C2\N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587707280 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C=C2\N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587707281 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C=C2/N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587707284 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C=C2/N(C)c3cc([N+](=O)[O-])ccc3C2(C)C)(C(F)(F)F)N1 ZINC000587707286 KK Annotated Bother CCCCCCCCCCCCCCC[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707352 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707353 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707354 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707355 KK Annotated Mild COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587707458 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587707459 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587707460 KK Annotated Anodyne COc1ccc(-c2nn3ccnc(Cl)c3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587707461 KK Annotated Anodyne CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587707470 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587707471 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C\C1=CC2=C(Cl)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587707472 KK Annotated Mild CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(OC(C)=O)C(=O)C2=CN1CCO ZINC000587707473 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587707677 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587707678 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587707679 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C ZINC000587707680 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707689 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707690 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707691 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587707692 KK Annotated Mild CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707712 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707736 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707737 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587707738 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707744 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707746 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707747 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)N1 ZINC000587707749 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587707802 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587707803 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587707804 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccccc2Br)N1 ZINC000587707805 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707954 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707956 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707958 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587707960 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587708042 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587708044 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587708045 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587708047 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708103 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708105 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708107 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(Br)c2)(C(F)(F)F)N1 ZINC000587708108 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708158 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708159 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708160 KK Annotated Anodyne CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCC[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708162 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587708196 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587708197 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587708199 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(-c3ccc(S(=O)(=O)Cl)cc3-c3ccc(C(=O)CC(=O)C(F)(F)F)cc3)cc2)(C(F)(F)F)N1 ZINC000587708201 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708264 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708265 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708266 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708267 KK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587708295 KK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587708296 KK Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587708297 KK Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587708298 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708305 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708306 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708307 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587708308 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587708344 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587708346 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587708347 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587708348 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587708349 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587708352 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587708353 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587708354 KK Annotated Reactive CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587708495 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587708496 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587708498 KK Annotated Mild CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587708499 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587708571 KK Annotated Mild CCOC(=O)C([C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587708573 KK Annotated Unstable CCOC(=O)C([C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587708574 KK Annotated Unstable CCOC(=O)C([C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587708575 KK Annotated Unstable CCOC(=O)C([C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587708576 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587708577 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587708578 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587708579 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708589 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708592 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587708602 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587708603 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587708604 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587708605 KK Annotated Mild Cc1cc(Br)ccc1-n1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587708606 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587708607 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587708608 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)nn1 ZINC000587708609 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587708622 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587708623 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587708624 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587708625 KK Annotated Anodyne CCCCN(CCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708634 KK Annotated Clean CCCCN(CCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708635 KK Annotated Clean CCCCN(CCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708636 KK Annotated Clean CCCCN(CCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708637 KK Annotated Clean CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708666 KK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708667 KK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708668 KK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708669 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708674 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708675 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708676 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708677 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708680 KK Annotated Mild CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)C(Cl)=C(Cl)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587708681 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587708732 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587708733 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587708734 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1O[C@@H]1C(=O)[C@@H]1[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587708735 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708770 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708771 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708772 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(O)(C(F)(F)F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708773 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708778 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708779 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708780 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708781 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708786 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708787 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708788 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708789 KK Annotated Mild COc1ccc([C@@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708814 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708815 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708816 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587708817 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708848 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708849 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708850 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2ccccc2)N1 ZINC000587708851 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587708864 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587708865 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587708866 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587708867 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708880 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708881 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708882 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587708883 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708928 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708929 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708930 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587708931 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708960 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708961 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708962 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708963 KK Annotated Mild Cc1cc(Br)ccc1-n1cc([C@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587708972 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cc([C@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587708973 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cc([C@@]2(C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587708974 KK Annotated Anodyne Cc1cc(Br)ccc1-n1cc([C@@]2(C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)nn1 ZINC000587708975 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(CC(O)(C(F)(F)F)C(F)(F)F)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587708980 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C(CC(O)(C(F)(F)F)C(F)(F)F)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587708981 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708990 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708991 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708992 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587708993 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587708998 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587708999 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587709000 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)N1 ZINC000587709001 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587709016 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587709017 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587709018 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587709019 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587709032 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587709033 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587709034 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587709035 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587709074 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587709075 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587709076 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c[nH]ccc2=NC(=O)OC(C)(C)C)(C(F)(F)F)N1 ZINC000587709077 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709094 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709095 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709096 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)C(F)(F)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709097 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587709102 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587709103 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587709104 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 ZINC000587709105 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709114 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709115 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709116 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709117 KK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709134 KK Annotated Mild CC[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709135 KK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709136 KK Annotated Mild CC[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709137 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587709146 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587709147 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587709148 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587709149 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709190 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709191 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709192 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709193 KK Annotated Mild CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709228 KK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709229 KK Annotated Mild CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709230 KK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709231 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709232 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709233 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709234 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709235 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709252 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709253 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709254 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709255 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709264 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709265 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709266 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709267 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709276 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709277 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709278 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587709279 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709280 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709281 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709282 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709283 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709332 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709333 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709334 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709335 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709394 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709395 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709396 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709397 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709406 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709407 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709408 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709409 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709410 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709411 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709412 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709413 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709438 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709439 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709440 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709441 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587709455 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587709459 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587709460 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587709461 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587709462 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587709465 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587709467 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587709469 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587709470 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587709473 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587709475 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3cccc(Br)c3[nH]2)(C(F)(F)F)N1 ZINC000587709477 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709491 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709495 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709497 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709500 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709511 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709512 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709513 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709514 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587709523 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587709524 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587709525 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587709527 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709532 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709535 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709537 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709540 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587709575 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587709576 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587709577 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587709578 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709580 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709582 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709584 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709586 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709599 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709600 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709603 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709605 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709608 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709611 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709613 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709614 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587709645 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587709647 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587709649 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587709651 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587709657 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587709662 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587709663 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587709664 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709677 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709681 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709683 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709685 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587709698 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587709704 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587709706 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587709708 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587709778 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587709792 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587709794 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587709798 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587709802 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587709805 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587709806 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709808 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587709810 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587709812 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587709813 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587709815 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587709817 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587709820 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587709823 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587709834 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709835 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587709837 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709838 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587709839 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709841 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCN(C(=O)C(F)(F)F)CC2)N1 ZINC000587709843 KK Annotated Anodyne CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709884 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709888 KK Annotated Reactive CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709889 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587709890 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587709893 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587709895 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587709897 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587709898 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709908 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709909 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709910 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)N1 ZINC000587709911 KK Annotated Mild COc1ccc(C(=O)C[C@@]2(C(F)(F)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709940 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709941 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709942 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587709943 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709956 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709957 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709958 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709959 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709986 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709988 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709989 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccs2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587709991 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710017 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710019 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710021 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710024 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587710042 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587710044 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587710046 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587710048 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2OCCCC(F)(F)F)N1 ZINC000587710050 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587710065 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587710068 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587710069 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587710071 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587710076 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587710079 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587710083 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587710104 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587710106 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587710109 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587710112 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587710115 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587710120 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587710123 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587710124 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587710154 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587710157 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587710158 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587710160 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710180 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710181 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710182 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710183 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710192 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710193 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710194 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587710195 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587710200 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587710201 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587710202 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587710203 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587710204 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587710205 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587710206 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587710207 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710208 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C/N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710209 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710210 KK Annotated Anodyne Cc1nc(-c2cccc(C(F)(F)F)c2)sc1[C@]1(/C=C\N(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710211 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587710228 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587710229 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587710230 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587710231 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710248 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710249 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710250 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710251 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710256 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710257 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710258 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(c2cccs2)N1 ZINC000587710259 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710290 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710292 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710294 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710296 KK Annotated Mild COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587710407 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587710408 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587710409 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587710410 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587710425 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587710427 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587710428 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587710429 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587710430 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587710431 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587710432 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587710433 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587710434 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587710437 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587710440 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587710442 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710451 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710455 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710458 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587710459 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710484 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710485 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710486 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587710487 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710512 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710513 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710514 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710515 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710540 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710541 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710542 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)F)(C(F)(F)C(F)(F)F)N1 ZINC000587710543 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710568 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710569 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710570 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710571 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587710616 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587710617 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@]3(C(F)(F)F)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587710618 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@]3(C(F)(F)F)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587710619 KK Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587710628 KK Annotated Mild CCn1cc([C@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587710629 KK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587710630 KK Annotated Mild CCn1cc([C@@]2(C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587710631 KK Annotated Mild COc1ccc(C(=O)C[C@@]2(C(F)(F)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710632 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(C(F)(F)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710633 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)C(F)(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710634 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(C(F)(F)C(F)(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587710635 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710642 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710643 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710644 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587710645 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710646 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710647 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710648 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710649 KK Annotated Mild CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710694 KK Annotated Reactive CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710695 KK Annotated Reactive CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710696 KK Annotated Reactive CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587710697 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710706 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710707 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710708 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587710709 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710752 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710753 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710754 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587710755 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587710764 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587710765 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587710766 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587710767 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710768 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710769 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710770 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710771 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587710774 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587710775 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587710776 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587710777 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710790 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587710791 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710818 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710819 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710820 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587710821 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587710826 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587710827 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587710828 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587710829 KK Annotated Reactive CCCCN(CCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710876 KK Annotated Clean CCCCN(CCCC)c1ccc(/C=C\c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710877 KK Annotated Clean CCCCN(CCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710878 KK Annotated Clean CCCCN(CCCC)c1ccc(/C=C/c2ccc([C@]3(C(F)(F)F)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587710879 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710892 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710893 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710894 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccccc2)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587710895 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587710942 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587710943 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587710944 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587710945 KK Annotated Reactive Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587710946 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587710947 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587710948 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587710949 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587710974 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587710975 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587710976 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587710977 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587710994 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587710995 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587710996 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587710997 KK Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587711057 KK Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587711060 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587711063 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587711065 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711076 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711078 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711081 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711084 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711090 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711092 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711094 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711096 KK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587711114 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587711120 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587711122 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587711123 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587711124 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587711125 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587711127 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C(F)(F)F)c(N(C)C)c3ccccc23)(C(F)(F)F)N1 ZINC000587711130 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711161 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711163 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711166 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711168 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587711177 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587711178 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587711179 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 ZINC000587711180 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711190 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711192 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711194 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(C)(C)C)(C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711195 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711238 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711239 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711240 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587711241 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711246 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711247 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711248 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 ZINC000587711249 KK Annotated Reactive COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711258 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711259 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711260 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711261 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711270 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711271 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711272 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587711273 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587711326 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587711327 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587711328 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587711329 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711342 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711343 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711344 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711345 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711346 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711347 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711348 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711349 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587711358 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587711359 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587711360 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)C(F)(F)F)c3ccccc3c2N(C)C)(C(F)(F)F)N1 ZINC000587711361 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711370 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711371 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711372 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711373 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711374 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711375 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H]1CC[C@@]2(C)C1(C)C ZINC000587711376 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@]2(C)C1(C)C ZINC000587711377 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711406 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711407 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711408 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N1 ZINC000587711409 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711442 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711443 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711445 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587711447 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587711452 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587711454 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587711456 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(C)c1C#N ZINC000587711459 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587711489 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587711497 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587711500 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587711502 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587711531 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587711534 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587711536 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587711538 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711544 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711546 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711548 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587711551 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587711607 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587711613 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587711616 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587711619 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711622 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711623 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711624 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587711625 KK Annotated Anodyne CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711666 KK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711667 KK Annotated Mild CC(=O)C[C@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711668 KK Annotated Mild CC(=O)C[C@@]1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711669 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C(CC(O)(C(F)(F)F)C(F)(F)F)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587711674 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C(CC(O)(C(F)(F)F)C(F)(F)F)(CC(O)(C(F)(F)F)C(F)(F)F)N1 ZINC000587711675 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587711776 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587711777 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587711778 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587711780 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587711790 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587711795 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587711797 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587711799 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711803 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711806 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711808 KK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587711809 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 ZINC000587711810 KK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587711816 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587711819 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587711821 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587711822 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587711825 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587711828 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587711830 KK Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587711840 KK Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587711843 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587711844 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587711845 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587711846 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587711847 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587711848 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587711851 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587711854 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587711856 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587711858 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587711860 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587711862 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587711864 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711872 KK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711878 KK Annotated Mild CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711879 KK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711880 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587711888 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587711889 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587711890 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587711891 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587711894 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587711895 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587711896 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587711897 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711898 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711899 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711900 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587711901 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587711902 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587711903 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587711904 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587711905 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587711918 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587711919 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587711920 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587711921 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711930 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711931 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711932 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(Nc1ccc(C(F)(F)F)cc1)=C2N[C@@H]1CCCC[C@H]1N1CCCCC1 ZINC000587711933 KK Annotated Mild COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712040 KK Annotated Mild COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712041 KK Annotated Mild COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712042 KK Annotated Mild COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712043 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587712052 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587712053 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587712054 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000587712055 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712068 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712069 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712070 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712071 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587712088 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587712089 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587712090 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2[N+](=O)[O-])(C2C(=O)CCCC2=O)N1 ZINC000587712091 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587712105 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587712107 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587712109 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C(C)(C)C)N1 ZINC000587712111 KK Annotated Mild COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587712143 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587712150 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587712152 KK Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F ZINC000587712154 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712155 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712158 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712161 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 ZINC000587712164 KK Annotated Reactive Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712222 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712223 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712224 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712225 KK Annotated Clean CCOC(=O)[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712226 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712227 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712228 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(C(F)(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712229 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712250 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712251 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712252 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc3ccccc3n2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587712253 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587712278 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587712279 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587712280 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587712281 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587712286 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587712287 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587712288 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3nc(C4CC4)cc(C(F)(F)F)n3)cc2)N1 ZINC000587712289 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587712296 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587712297 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587712298 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)N1 ZINC000587712299 KK Annotated Mild CCOC(=O)[C@@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712328 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712329 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712330 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712331 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712332 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712333 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712334 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587712335 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712336 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712337 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712338 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712339 KK Annotated Mild Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587712344 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587712345 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587712346 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587712347 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587712366 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587712367 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587712368 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3C(F)(F)F)c3nc(O)ccc23)N1 ZINC000587712369 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712370 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712371 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712372 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712373 KK Annotated Mild Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587712432 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587712433 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587712434 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587712435 KK Annotated Reactive COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587712447 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587712455 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587712458 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587712460 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587712531 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587712532 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587712535 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc12 ZINC000587712538 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587712539 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587712540 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587712541 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587712542 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712563 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587712570 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712571 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587712574 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587712578 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587712581 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587712583 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587712587 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587712589 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2S(C)(=O)=O)(c2cnoc2C2CC2)N1 ZINC000587712591 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587712660 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587712661 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587712662 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3ccccc3C(F)(F)F)s2)N1 ZINC000587712663 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587712684 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587712685 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587712686 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(Cl)cc3C(F)(F)F)s2)N1 ZINC000587712687 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712692 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712693 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712694 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 ZINC000587712695 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712700 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712701 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712702 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712703 KK Annotated Reactive CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587712708 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587712709 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587712710 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587712711 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587712712 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587712714 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587712715 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587712718 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587712719 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587712722 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587712724 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712725 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)([C@H](C)NC(=O)OCc2ccccc2)N1 ZINC000587712726 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712728 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712747 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712749 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712750 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587712753 KK Annotated Reactive Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712767 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587712768 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587712769 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587712770 KK Annotated Mild Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712771 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587712773 KK Annotated Mild Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712774 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587712775 KK Annotated Mild Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712776 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587712777 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587712778 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587712781 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587712783 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587712795 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587712800 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587712803 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587712804 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712806 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712808 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587712809 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587712810 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712812 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)cc(C(F)(F)F)c2)(C(F)(F)F)N1 ZINC000587712814 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587712815 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587712817 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587712820 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587712823 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ncccc3C(F)(F)F)c3ccccc23)N1 ZINC000587712826 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587712869 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587712872 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587712875 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 ZINC000587712880 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712886 KK Annotated Reactive Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712889 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712894 KK Annotated Reactive Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587712898 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712902 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712913 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587712916 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712919 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587712922 KK Annotated Reactive CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712924 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712927 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712929 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712932 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587712935 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587712938 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587712940 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712980 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712983 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712987 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587712990 KK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587712993 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712997 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712998 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587712999 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587713000 KK Annotated Reactive C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713005 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713006 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713007 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713009 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)([C@@H](C)Oc2cccc(C(F)(F)F)c2)N1 ZINC000587713012 KK Annotated Anodyne C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C\N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713015 KK Annotated Anodyne COc1cc(-c2nn(CCC#N)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587713017 KK Annotated Mild C[C@H](Oc1cccc(C(F)(F)F)c1)[C@]1(/C=C/N(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713018 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)s1 ZINC000587713020 KK Annotated Anodyne COc1cc(-c2nn(CCC#N)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587713021 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587713022 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587713023 KK Annotated Mild CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)s1 ZINC000587713025 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)s1 ZINC000587713027 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)s1 ZINC000587713030 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587713036 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587713037 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587713038 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OCc3cccc(C(F)(F)F)c3)ccc3ccccc23)N1 ZINC000587713039 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713045 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713046 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713049 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713052 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713060 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713062 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713063 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713064 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587713072 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587713073 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587713074 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587713075 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587713088 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587713089 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587713090 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C(F)F)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587713091 KK Annotated Anodyne COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713164 KK Annotated Mild COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713167 KK Annotated Mild COC(=O)N[C@H](C)[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713170 KK Annotated Mild COC(=O)N[C@H](C)[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713173 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587713177 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587713180 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587713185 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(F)(F)F)cc2Br)(c2c(N)sc3c2CCC3)N1 ZINC000587713188 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587713224 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587713229 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587713235 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)N1 ZINC000587713241 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713312 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C(c2cccc(C(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713313 KK Annotated Mild CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713326 KK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713328 KK Annotated Mild CCOC(=O)C[C@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713331 KK Annotated Mild CCOC(=O)C[C@@]1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713333 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713344 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713346 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713347 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713350 KK Annotated Mild Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587713365 KK Annotated Reactive CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587713382 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587713384 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587713386 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587713388 KK Annotated Reactive CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587713390 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587713393 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OC(F)F ZINC000587713395 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587713408 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587713414 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587713417 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587713422 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713424 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713432 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713434 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713439 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713533 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713534 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713535 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587713536 KK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587713628 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587713629 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587713630 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000587713633 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587713652 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587713655 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587713658 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587713663 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587713757 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587713758 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587713759 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N ZINC000587713760 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587713770 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587713771 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@H]2c1cccs1 ZINC000587713775 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc(C(F)(F)F)cc1N[C@@H]2c1cccs1 ZINC000587713781 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713801 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587713802 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713804 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713805 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3o2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587713806 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587713813 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587713816 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587713820 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713840 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713843 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713848 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(C(F)(F)F)c(C#N)cc23)N1 ZINC000587713851 KK Annotated Mild CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713860 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713862 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713864 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587713866 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587713883 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587713889 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587713892 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587713895 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713903 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713905 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713907 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587713909 KK Annotated Anodyne Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713912 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713915 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713917 KK Annotated Clean Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713918 KK Annotated Clean COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713944 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713945 KK Annotated Anodyne COC(=O)[C@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713947 KK Annotated Anodyne COC(=O)[C@@]1(c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587713949 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)c(Cl)c1 ZINC000587713959 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)c(Cl)c1 ZINC000587713960 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)c(Cl)c1 ZINC000587713961 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)c(Cl)c1 ZINC000587713962 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587714025 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587714026 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587714027 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587714028 KK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587714049 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587714050 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587714051 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587714052 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714099 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714100 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714101 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 ZINC000587714102 KK Annotated Reactive CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714103 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714104 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714105 KK Annotated Anodyne CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587714106 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587714137 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587714138 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587714139 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 ZINC000587714140 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587714145 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 ZINC000587714146 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587714163 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587714164 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587714165 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587714166 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587714182 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587714185 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587714214 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587714216 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587714218 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 ZINC000587714219 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587714229 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587714236 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587714237 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587714239 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714279 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714282 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714285 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714289 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587714357 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587714358 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587714359 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(C(F)(F)F)cc3)Nc3ccccc32)N1 ZINC000587714360 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587714376 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587714378 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587714379 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)N1 ZINC000587714381 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587714396 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587714400 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587714401 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000587714402 KK Annotated Reactive CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587714492 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587714497 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587714499 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587714501 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587714503 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(S(C)(=O)=O)c(COCC(F)(F)F)c2Cl)(C2C(=O)CCCC2=O)N1 ZINC000587714505 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587714577 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587714593 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587714599 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587714602 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587714604 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714617 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587714624 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587714626 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587714628 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714632 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714634 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714637 KK Annotated Anodyne COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587714652 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587714654 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587714655 KK Annotated Mild COC1=C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587714657 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587714683 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587714692 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587714695 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587714699 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587714751 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587714763 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587714765 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587714766 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714776 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714779 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714781 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714784 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587714830 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587714833 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587714834 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587714835 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714873 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714874 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714875 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cn3nc(C(F)F)c(Br)c3C(F)F)o2)N1 ZINC000587714876 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587714895 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587714896 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587714897 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587714898 KK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714924 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714928 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714930 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587714932 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587714986 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587714989 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587714991 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc(C(F)(F)F)c1 ZINC000587714993 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715037 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715038 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715039 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715040 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715119 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715123 KK Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587715197 KK Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587715198 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587715199 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1ccccc1C(F)(F)F ZINC000587715200 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715225 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715226 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715227 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715228 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587715241 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587715242 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587715243 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 ZINC000587715244 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587715245 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587715246 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587715247 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2C(F)(F)F)(C2CC2)N1 ZINC000587715248 KK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587715257 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587715258 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587715259 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587715260 KK Annotated Clean COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(C(F)(F)F)c1 ZINC000587715265 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(C(F)(F)F)c1 ZINC000587715267 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(C(F)(F)F)c1 ZINC000587715268 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(C(F)(F)F)c1 ZINC000587715269 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587715319 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587715321 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587715323 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587715324 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587715325 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587715329 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587715334 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587715338 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587715350 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587715360 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587715364 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587715367 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587715380 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587715386 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587715389 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587715393 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587715416 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587715424 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587715429 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587715436 KK Annotated Reactive Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715561 KK Annotated Anodyne Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1[C@@]1(C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715562 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587715563 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587715567 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587715570 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587715575 KK Annotated Mild COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587715579 KK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1F ZINC000587715616 KK Annotated Clean COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587715618 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587715624 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)CC1 ZINC000587715630 KK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1F ZINC000587715632 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1F ZINC000587715634 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1F ZINC000587715637 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587715638 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587715647 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587715651 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587715654 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587715656 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587715657 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587715658 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587715663 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587715668 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587715672 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587715676 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587715678 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587715712 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587715716 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587715721 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587715726 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587715731 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587715736 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587715737 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587715738 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587715805 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587715807 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587715808 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587715809 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587715810 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587715811 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587715812 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3cccc(C(F)(F)F)c3)c3ccccc23)N1 ZINC000587715813 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587715825 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587715827 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715889 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715890 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715891 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc(C(=O)O)cc(C(F)(F)F)c3)cc2)N1 ZINC000587715892 KK Annotated Anodyne COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715919 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715920 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@]1(c2ccccc2C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715921 KK Annotated Mild COCCOC(=O)[C@](C#N)(c1ccc(C(C)(C)C)cc1)[C@@]1(c2ccccc2C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587715922 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587715927 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587715928 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587715929 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 ZINC000587715930 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587715935 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587715936 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587715937 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC(=O)[C@@H]2C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])N1 ZINC000587715938 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716004 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716013 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716014 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716015 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587716032 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587716033 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587716034 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(S(C)(=O)=O)c2)(c2cc(F)ccc2F)N1 ZINC000587716035 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587716118 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587716152 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587716153 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587716154 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587716155 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587716156 KK Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587716159 KK Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587716163 KK Annotated Anodyne CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 ZINC000587716172 KK Annotated Reactive CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 ZINC000587716178 KK Annotated Reactive CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 ZINC000587716183 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587716188 KK Annotated Anodyne CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 ZINC000587716189 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587716198 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587716201 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587716203 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587716214 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587716217 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587716221 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 ZINC000587716225 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587716252 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587716253 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587716254 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2C(F)(F)F)(C(C)(C)C)N1 ZINC000587716255 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587716256 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(C#N)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587716258 KK Annotated Mild Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587716272 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587716274 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587716276 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(C(F)(F)F)ccc1Cl ZINC000587716279 KK Annotated Clean COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587716293 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587716295 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587716296 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587716298 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587716317 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587716325 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587716334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587716335 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(C(F)(F)F)c1 ZINC000587716344 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(C(F)(F)F)c1 ZINC000587716347 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(C(F)(F)F)c1 ZINC000587716351 KK Annotated Anodyne COC(=O)c1cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(C(F)(F)F)c1 ZINC000587716354 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587716377 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587716379 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587716382 KK Annotated Anodyne CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587716387 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587716404 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587716408 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587716411 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cc(C(F)(F)F)c(Br)cc23)N1 ZINC000587716415 KK Annotated Anodyne COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587716417 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587716420 KK Annotated Reactive COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587716424 KK Annotated Reactive COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F ZINC000587716429 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587716468 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587716474 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587716475 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587716477 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587716479 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587716489 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587716493 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587716496 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587716525 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587716529 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587716532 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)cc1C(F)F ZINC000587716535 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)s1 ZINC000587716538 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587716539 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587716541 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)s1 ZINC000587716542 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587716544 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)s1 ZINC000587716545 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587716549 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)s1 ZINC000587716550 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587716577 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587716584 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587716586 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587716588 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716656 KK Annotated Anodyne CC(C)[S@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716657 KK Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716658 KK Annotated Anodyne CC(C)[S@@](=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5cccnc5)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587716659 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587716661 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587716662 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587716663 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3cccc(C(F)(F)F)c3)nc3sccn23)N1 ZINC000587716664 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587716665 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587716666 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587716667 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(-c3ccc(C(F)(F)F)cc3)nc2Cl)N1 ZINC000587716668 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587716734 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587716740 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587716745 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587716750 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587716756 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587716762 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587716767 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(F)(F)F)cc2)(c2cccc(C(F)(F)F)c2)N1 ZINC000587716770 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716840 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716843 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716848 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716853 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716858 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716864 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716870 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716872 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716876 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccnc3ccccc23)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587716878 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716880 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716883 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587716884 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716887 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716889 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587716891 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccc(Br)cc2F)(C(C)(C)C)N1 ZINC000587716894 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587716898 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587716903 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587716911 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587716918 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587716923 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587716927 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587716928 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587716932 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587716937 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587716946 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587716953 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 ZINC000587716955 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587716961 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587716971 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21 ZINC000587716981 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717016 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717019 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717024 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SCc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717027 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587717158 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587717163 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587717164 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587717167 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587717171 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587717173 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587717180 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587717186 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587717196 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587717198 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587717201 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN([C@@H]1C[C@@H]1F)c1c2cc(F)c(F)c1Cl ZINC000587717204 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587717231 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587717232 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587717233 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587717234 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587717247 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587717248 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587717249 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(-c2ccccc2)c1C#N ZINC000587717250 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587717251 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587717252 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587717253 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 ZINC000587717254 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587717276 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587717281 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587717288 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587717293 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587717306 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587717314 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587717321 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)F)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587717329 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717356 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587717357 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717361 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587717362 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717366 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587717367 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717371 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OC(F)F ZINC000587717372 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587717395 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717405 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587717409 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587717414 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587717415 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717417 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587717418 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587717421 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717423 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(C(F)(F)F)c1 ZINC000587717425 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587717426 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587717429 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587717432 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587717438 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587717443 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 ZINC000587717448 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717560 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717567 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717574 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587717577 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3o2)(c2ccc(C(F)(F)F)cc2)N1 ZINC000587717580 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587717585 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587717589 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587717592 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587717597 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587717602 KK Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc(C(F)(F)F)c1 ZINC000587717603 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587717608 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587717611 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587717614 KK Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587717617 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000587717622 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587717626 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587717631 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587717636 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C(N[C@@H]1CCCC[C@H]1N1CCCCC1)=C2Nc1ccc(C(F)(F)F)cc1 ZINC000587717641 KK Annotated Mild Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587717669 KK Annotated Anodyne Cc1sc(N)c([C@@]2(c3cccc(C(F)(F)F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587717671 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587717675 KK Annotated Anodyne Cc1sc(N)c([C@]2(c3cccc(C(F)(F)F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587717679 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717746 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717752 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717754 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587717757 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717917 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717919 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717920 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587717921 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587717986 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587717990 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587717996 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587717999 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587718002 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587718019 KK Annotated Anodyne CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587718021 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587718026 KK Annotated Anodyne CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587718028 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587718032 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587718035 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(=O)O)=NN1c1cccc(C(F)(F)F)c1 ZINC000587718041 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587718046 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587718049 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587718052 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc(Nc3cccc(C(F)(F)F)c3)s2)N1 ZINC000587718055 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587718057 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587718060 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587718067 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587718073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(F)cc1)=C(C(F)(F)F)Oc1cc(O)ccc12 ZINC000587718074 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587718079 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587718084 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587718107 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1cccs1)Nc1cc(C(F)(F)F)ccc12 ZINC000587718117 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587718118 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587718121 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587718124 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587718127 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587718128 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587718132 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3cccc(C(F)(F)F)c3)n(C)c3ccccc23)N1 ZINC000587718136 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587718142 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587718147 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587718150 KK Annotated Anodyne CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587718153 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@]3(C)[C@@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587718158 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@@]3(C)[C@@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587718162 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@]3(C)[C@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587718170 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587718173 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@@]3(C)[C@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587718177 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587718181 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587718185 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587718190 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587718197 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587718203 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587718207 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1ccccc1)=CN(C)C=C2c1cccc(C(F)(F)F)c1 ZINC000587718210 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718213 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718215 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718218 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587718220 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587718360 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587718377 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587718378 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587718379 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718384 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)c(OC)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718386 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718389 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)c(OC)c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718391 KK Annotated Anodyne CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 ZINC000587718397 KK Annotated Reactive CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 ZINC000587718403 KK Annotated Reactive CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 ZINC000587718404 KK Annotated Reactive CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 ZINC000587718405 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587718406 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587718407 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587718408 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(OC(F)F)cc2)(c2ccc(OC(F)F)cc2)N1 ZINC000587718409 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587718410 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587718411 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587718412 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cccc(OC(F)F)c2)(c2cccc(OC(F)F)c2)N1 ZINC000587718413 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587718481 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ncc(C(F)(F)F)cc3Cl)CC2)N1 ZINC000587718482 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587718483 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587718484 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587718485 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3cccc(C(F)(F)F)c3)c([N+](=O)[O-])c2)N1 ZINC000587718486 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587718499 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587718500 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587718501 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(C(F)(F)F)cc2)N1 ZINC000587718502 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587718507 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587718508 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587718509 KK Annotated Anodyne COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)CN2C(SCc3cccc(F)c3F)=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)CC1 ZINC000587718510 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718574 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718578 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718582 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587718584 KK Annotated Mild CCOC(=O)C(=O)C[C@]1(c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587718587 KK Annotated Anodyne Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587718588 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587718592 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587718596 KK Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587718624 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587718628 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587718632 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587718636 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587718665 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587718670 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587718674 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(-c5ccc(Cl)cc5)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587718679 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587718698 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587718709 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587718713 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587718715 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587718719 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587718723 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587718728 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587718731 KK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587718803 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587718829 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587718833 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587718837 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587718838 KK Annotated Unstable Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718840 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587718842 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587718844 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587718847 KK Annotated Unstable Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718849 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718853 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587718857 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587718893 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587718894 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587718896 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587718900 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587718904 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587718912 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587718914 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587718915 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719087 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719102 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719104 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719105 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587719120 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587719123 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587719125 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccccc2)N1 ZINC000587719131 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587719143 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587719145 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587719147 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2F)N1 ZINC000587719150 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587719170 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587719187 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]23C)N1 ZINC000587719188 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587719190 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587719192 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587719195 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587719196 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587719199 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@@H](C)[C@](O)(C(=O)S)[C@@]4(C)C[C@H](O)[C@@]23F)N1 ZINC000587719200 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587719201 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]23C)N1 ZINC000587719202 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587719203 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@@H](C)[C@](O)(C(=O)S)[C@@]4(C)C[C@H](O)[C@@]23F)N1 ZINC000587719204 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@@H](C)[C@](O)(C(=O)S)[C@@]4(C)C[C@H](O)[C@@]23F)N1 ZINC000587719206 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]23C)N1 ZINC000587719208 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@@H](C)[C@](O)(C(=O)S)[C@@]4(C)C[C@H](O)[C@@]23F)N1 ZINC000587719210 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587719242 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587719246 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587719249 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587719253 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(F)cccc1Cl ZINC000587719264 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(F)cccc1Cl ZINC000587719268 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(F)cccc1Cl ZINC000587719272 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587719275 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1c(F)cccc1Cl ZINC000587719276 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587719280 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587719283 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587719286 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587719289 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587719291 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587719293 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587719296 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587719302 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587719311 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587719312 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587719316 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587719317 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587719319 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587719324 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc3c(F)c(F)c(F)c(F)c3F)cc2)N1 ZINC000587719327 KK Annotated Unstable CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719376 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719377 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719378 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587719379 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719398 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719401 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719404 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)C(=O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587719406 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587719535 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587719536 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587719537 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587719538 KK Annotated Reactive CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587719575 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Cl)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587719579 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587719581 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Cl)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F ZINC000587719584 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587719586 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587719622 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587719626 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587719629 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(F)cccc1Cl ZINC000587719665 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(F)cccc1Cl ZINC000587719672 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(F)cccc1Cl ZINC000587719679 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1c(F)cccc1Cl ZINC000587719686 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587719738 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587719741 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587719746 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587719748 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000587719751 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587719752 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587719758 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587719760 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587719773 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587719776 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587719780 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587719784 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587719855 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587719859 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587719861 KK Annotated Reactive COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587719862 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587719864 KK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587719865 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000587719866 KK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587719868 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587719869 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587719875 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587719877 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587719878 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1c(F)cccc1Cl ZINC000587719894 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1c(F)cccc1Cl ZINC000587719897 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1c(F)cccc1Cl ZINC000587719899 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1c(F)cccc1Cl ZINC000587719901 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587719906 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587719908 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587719909 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3n2C(F)F)(c2cccs2)N1 ZINC000587719910 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587720018 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587720019 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587720020 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587720021 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720139 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720140 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720142 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720143 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587720156 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587720159 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587720162 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587720163 KK Annotated Reactive COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc(C(F)F)cc(C)c1C#N ZINC000587720165 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587720167 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587720170 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2F)N1 ZINC000587720173 KK Annotated Reactive COC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720194 KK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720198 KK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587720202 KK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720203 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587720208 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587720210 KK Annotated Anodyne COC(=O)/C(=C\NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720211 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587720212 KK Annotated Anodyne COC(=O)/C(=C\NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720218 KK Annotated Anodyne COC(=O)/C(=C/NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720219 KK Annotated Anodyne COC(=O)/C(=C/NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587720221 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587720298 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587720306 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587720308 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc12 ZINC000587720309 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587720324 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587720332 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587720334 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587720336 KK Annotated Reactive COc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720377 KK Annotated Reactive COc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720379 KK Annotated Reactive COc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720381 KK Annotated Reactive COc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F ZINC000587720383 KK Annotated Reactive COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720495 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720504 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720508 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720510 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587720537 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587720539 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587720541 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587720544 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(=O)n(Cc3c(F)cccc3Cl)c2)N1 ZINC000587720545 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587720547 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587720550 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(NC(=O)OCc3ccccc3)c2F)N1 ZINC000587720552 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720631 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720655 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720658 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587720660 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720746 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720749 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720751 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)c(F)c(F)c1F ZINC000587720753 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587720756 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587720765 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587720774 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587720777 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587720780 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587720798 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587720799 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587720800 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587720802 KK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C(F)F)c(Br)c1C(F)F ZINC000587720803 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587720805 KK Annotated Mild COc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587720807 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587720808 KK Annotated Mild COc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587720810 KK Annotated Reactive COc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587720815 KK Annotated Reactive COc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587720819 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587720832 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587720836 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587720837 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587720839 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720867 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720868 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720869 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720870 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587720879 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587720880 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587720881 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587720882 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720909 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720910 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720911 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)N1 ZINC000587720912 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)c(Cl)c1 ZINC000587720943 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)c(Cl)c1 ZINC000587720944 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)c(Cl)c1 ZINC000587720945 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)c(Cl)c1 ZINC000587720946 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720955 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@]2(c3c[nH]c4ncc(Br)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720956 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720957 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c([C@@]2(c3c[nH]c4ncc(Br)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F ZINC000587720958 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587720971 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587720972 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587720973 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CO[C@H](c3cc(F)ccc3F)[C@@H](NC(=O)OC(C)(C)C)C2)N1 ZINC000587720974 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720991 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720992 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720993 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587720994 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587721012 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587721013 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587721014 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Br)cc2F)N1 ZINC000587721016 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587721036 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587721038 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587721039 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587721041 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587721043 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587721045 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587721113 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587721115 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587721117 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000587721119 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587721142 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587721143 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587721145 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC(=O)N3)(c2c(F)cccc2F)N1 ZINC000587721147 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587721224 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587721228 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587721232 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587721237 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587721349 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587721350 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587721351 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587721352 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587721413 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587721414 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587721415 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 ZINC000587721416 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587721419 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587721420 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587721421 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 ZINC000587721422 KK Annotated Reactive CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721427 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721428 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721429 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587721430 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587721479 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587721480 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587721481 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Br)c2)N1 ZINC000587721482 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721564 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721566 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721567 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587721568 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587721612 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587721616 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587721619 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 ZINC000587721621 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587721682 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587721684 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587721685 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587721686 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587721687 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587721688 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587721689 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587721690 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587721691 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587721692 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2C(=O)O)(c2ccc(OC(F)F)cc2)N1 ZINC000587721693 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(COc3cccc(F)c3Br)CCC2)N1 ZINC000587721694 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587721832 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587721833 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587721834 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587721835 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587721856 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587721857 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587721858 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587721859 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587721884 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587721885 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587721886 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587721887 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587721994 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587721995 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587721996 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2c([N+](=O)[O-])ccc(OCc3ccccc3)c2F)N1 ZINC000587721997 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587722002 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587722003 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587722004 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc(C)cc(C(F)F)n1 ZINC000587722005 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587722014 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587722015 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587722016 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2ccc(-c2ccc3c(c2)CN[C@@H]3C)c1OC(F)F ZINC000587722017 KK Annotated Anodyne COc1cc(-c2nn(CCC#N)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587722066 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587722067 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587722068 KK Annotated Mild COc1cc(-c2nn(CCC#N)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F ZINC000587722069 KK Annotated Mild Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587722078 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587722079 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587722080 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 ZINC000587722081 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587722140 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587722141 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587722142 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587722143 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587722144 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2c(F)c(F)c(F)c(F)c2F)(c2ccccc2)N1 ZINC000587722145 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587722287 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587722288 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587722290 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(Cl)c2)N1 ZINC000587722292 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722323 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722325 KK Annotated Anodyne CCOC(=O)C[C@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722327 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2ccc(Br)cc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722329 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587722334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587722336 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587722339 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2ccc(F)cc2)N1 ZINC000587722341 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587722343 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587722345 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587722347 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2c(Br)cccc2OC(F)(F)F)N1 ZINC000587722349 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587722363 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587722365 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587722367 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2cc(Br)ccc2F)(c2cc(Br)ccc2F)N1 ZINC000587722369 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722386 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722387 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722388 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(Br)ccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722389 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587722438 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587722439 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587722440 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 ZINC000587722441 KK Annotated Reactive CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587722450 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587722451 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587722452 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587722453 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722478 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722479 KK Annotated Anodyne Cc1c(Br)cncc1[C@@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722480 KK Annotated Anodyne Cc1c(Br)cncc1[C@]1(c2ccc(OC(F)F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722481 KK Annotated Anodyne COC(=O)/C(=C/NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722552 KK Annotated Anodyne COC(=O)/C(=C/NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722553 KK Annotated Anodyne COC(=O)/C(=C\NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722554 KK Annotated Anodyne COC(=O)/C(=C\NC1CC1)[C@]1(c2cc(F)c(Cl)cc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722555 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722600 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722601 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587722638 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587722639 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587722640 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(F)c(C(=O)O)c3)cc2[N+](=O)[O-])N1 ZINC000587722641 KK Annotated Bother Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1F ZINC000587722642 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1F ZINC000587722643 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1F ZINC000587722644 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1F ZINC000587722645 KK Annotated Clean Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587722665 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587722667 KK Annotated Anodyne Cc1ccc([C@]2(c3cn(CCCCCF)c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587722670 KK Annotated Anodyne Cc1ccc([C@@]2(c3cn(CCCCCF)c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc12 ZINC000587722673 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587722674 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587722677 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587722680 KK Annotated Reactive CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722681 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 ZINC000587722683 KK Annotated Reactive CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722687 KK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722689 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587722692 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722763 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722772 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722774 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722776 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587722784 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587722787 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587722788 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587722792 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587722796 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587722798 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587722799 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(CCCCCF)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587722800 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587722811 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587722813 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587722814 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)(F)F)cc1C ZINC000587722815 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587722816 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587722818 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587722819 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)N1 ZINC000587722820 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587722821 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587722822 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587722823 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C(F)F)c(Cl)c1C(F)F ZINC000587722824 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587722841 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587722843 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587722845 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCC(C(F)(F)F)CC2)N1 ZINC000587722847 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587722848 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587722849 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587722850 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587722851 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587722852 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587722853 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587722854 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)[C@@H](F)C[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587722859 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722886 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722887 KK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722904 KK Annotated Anodyne COC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722905 KK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722906 KK Annotated Anodyne COC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587722907 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722980 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722981 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722982 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2c(F)cccc2Cl)(c2ccccc2Br)N1 ZINC000587722983 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C ZINC000587722992 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C ZINC000587722993 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C ZINC000587722994 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(F)(F)F)nn1C ZINC000587722995 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723016 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723017 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723018 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723019 KK Annotated Mild COC(=O)c1ccccc1Sc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C ZINC000587723020 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C ZINC000587723021 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C ZINC000587723022 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(F)(F)F)nn1C ZINC000587723023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723088 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723089 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723090 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723091 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587723108 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587723109 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587723110 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 ZINC000587723111 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587723112 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587723113 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587723114 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 ZINC000587723115 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723156 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723157 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723158 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 ZINC000587723159 KK Annotated Reactive CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723224 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723225 KK Annotated Anodyne CC[C@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723226 KK Annotated Anodyne CC[C@@]1(c2cc(Br)ccc2OC(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587723227 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)[C@H](C(F)(F)F)C2)N1 ZINC000587723240 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)[C@@H](C(F)(F)F)C2)N1 ZINC000587723241 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCc3ccccc3)[C@H](C(F)(F)F)C2)N1 ZINC000587723242 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCc3ccccc3)[C@@H](C(F)(F)F)C2)N1 ZINC000587723243 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587723262 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587723263 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587723264 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2)N1 ZINC000587723265 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587723320 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587723321 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587723322 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(F)cccc1Cl ZINC000587723323 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587723336 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587723337 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587723338 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2c(F)cccc2Cl)N1 ZINC000587723339 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587723344 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587723345 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587723346 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2c(F)cccc2Cl)N1 ZINC000587723347 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723384 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723385 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723386 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723387 KK Annotated Anodyne CCOC(=O)CC[C@]1(c2cccc(SC(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723388 KK Annotated Anodyne CCOC(=O)CC[C@@]1(c2cccc(SC(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723389 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723406 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723407 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723408 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723409 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587723414 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587723415 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587723416 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 ZINC000587723417 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587723438 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587723439 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587723440 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587723441 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723454 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723455 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723456 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2cccc(C(F)(F)F)c2)N1 ZINC000587723457 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723466 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723467 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723468 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccc(Cl)cc2Cl)N1 ZINC000587723469 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587723510 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587723511 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587723512 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587723513 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723558 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723559 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723560 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723561 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723586 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587723587 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587723640 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587723641 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587723642 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1c(F)c(F)cc(F)c1F ZINC000587723643 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723664 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723665 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723666 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2c(Cl)ccc(F)c2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587723667 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587723668 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587723669 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587723670 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(F)cccc1Cl ZINC000587723671 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587723698 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587723699 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587723700 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587723701 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587723744 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587723746 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587723748 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC2CCCC2)(c2ccc(OC(F)(F)F)cc2)N1 ZINC000587723750 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587723776 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587723779 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587723781 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(F)(F)F)nn(C)c2Sc2cccc(C(F)(F)F)c2)N1 ZINC000587723782 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587723798 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587723800 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587723802 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587723804 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587723807 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587723809 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587723811 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(F)(F)F)nn(C)c2Oc2ccccc2C(F)(F)F)N1 ZINC000587723814 KK Annotated Mild CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723835 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723838 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723842 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587723846 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1c(F)cccc1Cl ZINC000587723870 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1c(F)cccc1Cl ZINC000587723873 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1c(F)cccc1Cl ZINC000587723876 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1c(F)cccc1Cl ZINC000587723879 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@]23C)N1 ZINC000587723942 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@@]23C)N1 ZINC000587723943 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@H](O)C[C@@]23C)N1 ZINC000587723944 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@]23OC(C)(C)O[C@@H]2C[C@@H]2[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@H]4[C@@H](O)C[C@]23C)N1 ZINC000587723945 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@@]3(C)[C@@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587723954 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@]3(C)[C@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587723955 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@@]3(C)[C@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587723956 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@]3(C)C(=C2)[C@@H](F)C[C@@H]2[C@@H]3[C@H](O)C[C@]3(C)[C@@H]2C[C@H]2OC(C)(C)O[C@]23C(=O)CO)N1 ZINC000587723957 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724029 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724038 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724040 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724042 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2F)N1 ZINC000587724052 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2F)N1 ZINC000587724053 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2F)N1 ZINC000587724055 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2F)N1 ZINC000587724057 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724118 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724119 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724120 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 ZINC000587724121 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587724130 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587724131 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587724132 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OC(F)(F)F)ccc2NC(=O)OC(C)(C)C)N1 ZINC000587724133 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587724164 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587724165 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587724166 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587724167 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724180 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724181 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724182 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724183 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587724232 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587724233 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587724234 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C(=O)O)c(F)c3)cc2[N+](=O)[O-])N1 ZINC000587724235 KK Annotated Bother COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724248 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724249 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724250 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724251 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587724364 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587724365 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587724366 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587724367 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724452 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724453 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724454 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(F)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587724455 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724504 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724505 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724506 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724507 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724564 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724565 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724566 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724567 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)c(C)c1 ZINC000587724592 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)c(C)c1 ZINC000587724593 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)c(C)c1 ZINC000587724594 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(F)c2)c(C)c1 ZINC000587724595 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724632 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724633 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724634 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587724635 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587724636 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587724637 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587724638 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587724639 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587724656 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587724657 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587724658 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587724659 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724680 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724681 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724682 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587724683 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587724717 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587724718 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587724719 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587724720 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724721 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724722 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724723 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)c2ccc(F)c(F)c2)N1 ZINC000587724726 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724921 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724926 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724928 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2F)c1 ZINC000587724931 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724969 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724971 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(Br)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724973 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(Br)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587724975 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587724999 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725004 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587725024 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587725025 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587725026 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587725027 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725050 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725051 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587725108 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587725109 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587725110 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587725111 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587725126 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587725129 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587725132 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587725134 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1Cl ZINC000587725248 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1Cl ZINC000587725249 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587725292 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587725293 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587725294 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(F)c2)N1 ZINC000587725295 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725296 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725297 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725298 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Oc3ccc(F)cc3F)n(C)c3ccccc23)N1 ZINC000587725299 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587725304 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587725305 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587725306 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587725307 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587725340 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587725341 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587725342 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(F)c2)N1 ZINC000587725343 KK Annotated Bother COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1Cl ZINC000587725350 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OCc1ccc(F)cc1Cl ZINC000587725351 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587725414 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587725415 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587725416 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587725417 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725476 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725477 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725478 KK Annotated Anodyne CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F ZINC000587725479 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)c(C)c1 ZINC000587725492 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)c(C)c1 ZINC000587725493 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)c(C)c1 ZINC000587725494 KK Annotated Anodyne Cc1cc(C)c(COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(F)c2)c(C)c1 ZINC000587725495 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2F)N1 ZINC000587725500 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2F)N1 ZINC000587725501 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2F)N1 ZINC000587725502 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2F)N1 ZINC000587725503 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587725644 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587725645 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587725646 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587725647 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587725660 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587725661 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587725662 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(F)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587725663 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587725688 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587725689 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587725690 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2F)c1 ZINC000587725691 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc31)C2 ZINC000587725788 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)N[C@@H](C)Cc3cc(Br)c(F)cc31)C2 ZINC000587725789 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc31)C2 ZINC000587725790 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)N[C@H](C)Cc3cc(Br)c(F)cc31)C2 ZINC000587725791 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587725812 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587725813 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587725814 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587725815 KK Annotated Reactive COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1F ZINC000587725834 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1F ZINC000587725835 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1F ZINC000587725836 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1F ZINC000587725837 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587725838 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587725839 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587725840 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587725841 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587725884 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587725885 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587725886 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccccc2Oc2ccc(Cl)c(F)c2)N1 ZINC000587725887 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1Cl ZINC000587725952 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1Cl ZINC000587725953 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1Cl ZINC000587725954 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc(F)cc1Cl ZINC000587725955 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587726004 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587726005 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587726006 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587726007 KK Annotated Anodyne COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1Cl ZINC000587726024 KK Annotated Anodyne COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1Cl ZINC000587726025 KK Annotated Anodyne COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1Cl ZINC000587726026 KK Annotated Anodyne COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OCc1ccc(F)cc1Cl ZINC000587726027 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587726037 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587726039 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587726042 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3c(Nc4ccc(C=O)cc4F)cccc23)N1 ZINC000587726045 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587726078 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587726079 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587726080 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(CCC(=O)OCc3ccccc3)c2F)N1 ZINC000587726081 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587726094 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587726095 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587726096 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)nc3ccc(Cl)cc3c2-c2ccc(F)c(F)c2)N1 ZINC000587726097 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587726102 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587726103 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587726104 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Nc3cccc4c(C=O)c(C(C)(C)C)[nH]c34)c(F)c2)N1 ZINC000587726105 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587726186 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587726187 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587726188 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)c(F)c2)N1 ZINC000587726189 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726240 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726245 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726248 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726251 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726292 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726293 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726294 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587726295 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726296 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726297 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726298 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)ccc2N)(c2ccccc2F)N1 ZINC000587726299 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587726412 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587726413 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587726414 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)c(F)c2)N1 ZINC000587726415 KK Annotated Bother COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726416 KK Annotated Anodyne COc1ccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726417 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726418 KK Annotated Anodyne COc1ccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F ZINC000587726419 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587726430 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587726431 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587726432 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(S(C)(=O)=O)c2)(c2ccc(F)cc2F)N1 ZINC000587726433 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587726464 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587726465 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587726466 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587726467 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587726538 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587726539 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587726540 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)N(Cc3ccccc3F)c3cc(Cl)ccc32)N1 ZINC000587726541 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1F ZINC000587726832 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1F ZINC000587726833 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1F ZINC000587726834 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1F ZINC000587726835 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726884 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726886 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726887 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587726889 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587726905 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726909 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587726910 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587726911 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587726912 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1Cl ZINC000587726913 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726914 KK Annotated Clean COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1Cl ZINC000587726915 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1Cl ZINC000587726916 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726917 KK Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(F)cc1Cl ZINC000587726918 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726920 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726941 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726942 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726943 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587726944 KK Annotated Anodyne COCCOCOc1cc2c(cc1F)C1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587726955 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587726957 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587726958 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587726959 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Br)N1 ZINC000587726960 KK Annotated Reactive COCCOCOc1cc2c(cc1F)C1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587726967 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726968 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726969 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726970 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCN(C)CC3)c(F)cc12 ZINC000587726971 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C)CC1 ZINC000587726982 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C)CC1 ZINC000587726983 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C)CC1 ZINC000587726984 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C(=O)O)=CN3C)CC1 ZINC000587726985 KK Annotated Clean CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(F)c1 ZINC000587727174 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(F)c1 ZINC000587727180 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(F)c1 ZINC000587727181 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1cccc(F)c1 ZINC000587727182 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@@H](c3ccc(OC)c(OC)c3)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727284 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@@H](c3ccc(OC)c(OC)c3)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727285 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@H](c3ccc(OC)c(OC)c3)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727286 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@H](c3ccc(OC)c(OC)c3)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727287 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587727322 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587727323 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587727324 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 ZINC000587727325 KK Annotated Reactive CC1CCN(c2cc3c(cc2F)[C@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C)CC1 ZINC000587727358 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C)CC1 ZINC000587727359 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C)CC1 ZINC000587727360 KK Annotated Clean CC1CCN(c2cc3c(cc2F)[C@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C(=O)O)=CN3C)CC1 ZINC000587727361 KK Annotated Clean CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587727406 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587727407 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587727408 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587727409 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727410 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727413 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727416 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587727418 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587727536 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587727551 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587727553 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587727554 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(/C=C\C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587727567 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(/C=C\C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587727602 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(/C=C/C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587727604 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(/C=C/C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587727605 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1Cl ZINC000587727646 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1Cl ZINC000587727648 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1Cl ZINC000587727650 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(F)cc1Cl ZINC000587727652 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1F ZINC000587727705 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1F ZINC000587727706 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1F ZINC000587727707 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccccc1F ZINC000587727708 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587727742 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587727743 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587727744 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587727745 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587727801 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587727806 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587727809 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587727814 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@]4(C=C3Oc3cc(O)c(F)cc32)N[C@@H](C)Cc2ccc(F)c(Br)c24)c(C)c1 ZINC000587727855 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587727856 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587727866 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587727870 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587727872 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@@]4(C=C3Oc3cc(O)c(F)cc32)N[C@H](C)Cc2ccc(F)c(Br)c24)c(C)c1 ZINC000587727874 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@@]4(C=C3Oc3cc(O)c(F)cc32)N[C@@H](C)Cc2ccc(F)c(Br)c24)c(C)c1 ZINC000587727877 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@]4(C=C3Oc3cc(O)c(F)cc32)N[C@H](C)Cc2ccc(F)c(Br)c24)c(C)c1 ZINC000587727881 KK Annotated Anodyne CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587727885 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587727905 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587727909 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587727913 KK Annotated Clean CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587727918 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587727920 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587727921 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2cc(F)c(F)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587727925 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587728045 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587728048 KK Annotated Anodyne Cc1ccc(C)c(SC[C@]2(Cc3ccccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587728051 KK Annotated Anodyne Cc1ccc(C)c(SC[C@@]2(Cc3ccccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587728053 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)N1 ZINC000587728078 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728080 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)N1 ZINC000587728083 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)N1 ZINC000587728085 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)N1 ZINC000587728086 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728087 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728088 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587728090 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587728110 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587728113 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587728117 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2F)(c2cc(Br)ccc2O)N1 ZINC000587728119 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587728163 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587728185 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587728197 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587728198 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587728199 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587728212 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587728215 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587728218 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728253 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728256 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728258 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2cc(F)c(Cl)nc2Cl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728261 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 ZINC000587728315 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 ZINC000587728334 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 ZINC000587728338 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 ZINC000587728343 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587728371 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587728377 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587728379 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Br)N1 ZINC000587728384 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587728421 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728458 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587728464 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587728467 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587728470 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728476 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728479 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728485 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587728498 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587728506 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@@]2(c3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587728516 KK Annotated Anodyne Cc1nc2ccccn2c(=O)c1CCN1CCC([C@]2(c3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587728522 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587728524 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587728535 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587728539 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587728545 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587728551 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587728559 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587728561 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587728564 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587728566 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587728570 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587728571 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587728575 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587728605 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587728613 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587728618 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587728623 KK Annotated Clean CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(F)cc1 ZINC000587728675 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(F)cc1 ZINC000587728679 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(F)cc1 ZINC000587728682 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(F)cc1 ZINC000587728684 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587728766 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587728767 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587728768 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587728771 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728792 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728793 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728795 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2sc(Nc3cccc(F)c3)nc2N)N1 ZINC000587728799 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(/C=C/C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587728832 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(/C=C/C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587728835 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(/C=C\C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587728838 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(/C=C\C(=O)NO)n2C)(c2cccc(F)c2)N1 ZINC000587728841 KK Annotated Bother CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728900 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728901 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728903 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728906 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587728921 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587728931 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587728935 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587728938 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587728958 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587728968 KK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728970 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587728972 KK Annotated Reactive CCOC(=O)C[C@]1(c2cc(F)ccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728973 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587728974 KK Annotated Reactive CCOC(=O)C[C@@]1(c2cc(F)ccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728976 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)ccc2Br)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587728978 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587728991 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587728999 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587729002 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587729007 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587729049 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587729055 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587729061 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2F)(c2ccccc2Br)N1 ZINC000587729068 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587729129 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587729132 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587729171 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587729174 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587729177 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587729178 KK Annotated Anodyne Cc1cc([C@@]2(CN3CCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729185 KK Annotated Clean Cc1cc([C@]2(CN3CCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729186 KK Annotated Clean Cc1cc([C@]2(CN3CCCC3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729187 KK Annotated Clean Cc1cc([C@@]2(CN3CCCC3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 ZINC000587729188 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc([C@@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587729217 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc([C@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587729219 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc([C@@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587729222 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc([C@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587729224 KK Annotated Mild COCCOCOc1cc2c(cc1F)C1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587729330 KK Annotated Anodyne COCCOCOc1cc2c(cc1F)C1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(F)c(OCOCCOC)cc1O2 ZINC000587729331 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587729350 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587729351 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587729352 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c3ccnc-3[nH]c(I)c2Cl)N1 ZINC000587729353 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587729358 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587729359 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587729360 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587729361 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729362 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729363 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729364 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729365 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccccc3F)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587729396 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccccc3F)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587729398 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587729445 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587729454 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587729457 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587729460 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729473 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729478 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729483 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3ncc(I)c-3cc2Cl)N1 ZINC000587729489 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587729535 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587729540 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587729543 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)N1 ZINC000587729547 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587729622 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587729632 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587729634 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587729636 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587729637 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587729638 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587729640 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2ccc(F)cc2Cl)N1 ZINC000587729642 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587729671 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729699 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729701 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729703 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587729705 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587729709 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587729713 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587729717 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729721 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729729 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729733 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729734 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729735 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729736 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729737 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(F)ccc1[N+](=O)[O-] ZINC000587729738 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587729779 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587729787 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587729790 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587729792 KK Annotated Anodyne CC(C)n1c(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587729872 KK Annotated Anodyne CC(C)n1c(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587729873 KK Annotated Anodyne CC(C)n1c(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587729875 KK Annotated Anodyne CC(C)n1c(/C=C/[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587729877 KK Annotated Anodyne COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587729972 KK Annotated Reactive COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587729973 KK Annotated Reactive COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587729974 KK Annotated Reactive COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587729975 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587729984 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587729985 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587729986 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587729987 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1cccc(F)c1 ZINC000587730184 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1cccc(F)c1 ZINC000587730200 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1cccc(F)c1 ZINC000587730203 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Br)c1OCc1cccc(F)c1 ZINC000587730206 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587730223 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587730228 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587730230 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587730232 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1Cl ZINC000587730251 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1Cl ZINC000587730253 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1Cl ZINC000587730255 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc(F)cc1Cl ZINC000587730257 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@H](c3ccc(OC)c(OC)c3)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730258 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@H](c3ccc(OC)c(OC)c3)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730260 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@@H](c3ccc(OC)c(OC)c3)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730263 KK Annotated Anodyne CCCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1F)[C@]1(C[C@@H](c3ccc(OC)c(OC)c3)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730268 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730283 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730284 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730286 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730288 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587730298 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587730300 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587730301 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c3nc(O)ccc23)N1 ZINC000587730302 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587730323 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587730324 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587730325 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587730326 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 ZINC000587730376 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 ZINC000587730380 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 ZINC000587730384 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 ZINC000587730386 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587730423 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587730426 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587730430 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 ZINC000587730433 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587730454 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587730457 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587730460 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccc(C(=O)c3ccc(F)cc3)c2)N1 ZINC000587730464 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587730479 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587730481 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587730482 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)(c2ccc(F)cc2)N1 ZINC000587730483 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730484 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730485 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730486 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730487 KK Annotated Anodyne COc1cccc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587730512 KK Annotated Anodyne COc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587730515 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730516 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730517 KK Annotated Anodyne COc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587730518 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730519 KK Annotated Anodyne COc1cccc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587730520 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cc(Cl)cc2COc2ccc(F)cc2)N1 ZINC000587730521 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587730584 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587730585 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587730586 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587730587 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587730616 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587730617 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587730618 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587730619 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730714 KK Annotated Anodyne CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730735 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730737 KK Annotated Anodyne CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730739 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c31)C2 ZINC000587730751 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)N[C@@H](C)Cc3ccc(F)c(Br)c31)C2 ZINC000587730753 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@@]1(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c31)C2 ZINC000587730756 KK Annotated Anodyne CC(=O)Oc1cc2c(s1)CCN([C@H](c1ccccc1F)[C@]1(C3CC3)N[C@H](C)Cc3ccc(F)c(Br)c31)C2 ZINC000587730759 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1F ZINC000587730761 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1F ZINC000587730764 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1F ZINC000587730766 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccccc1F ZINC000587730769 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730785 KK Annotated Anodyne CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730787 KK Annotated Anodyne CC(C)C(=O)[C@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730789 KK Annotated Anodyne CC(C)C(=O)[C@@H](C(=O)Nc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587730792 KK Annotated Anodyne CCCCn1cc([C@@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587730815 KK Annotated Mild CCCCn1cc([C@]2(c3cc(F)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587730823 KK Annotated Mild CCCCn1cc([C@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587730824 KK Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C#N)c1=O ZINC000587730825 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587730943 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587730946 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587730947 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587730948 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730978 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730981 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730983 KK Annotated Anodyne CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587730985 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587730986 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587730987 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587730988 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587730989 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731015 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731021 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731022 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731024 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587731033 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587731036 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587731038 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587731039 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587731041 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587731048 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587731050 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587731053 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587731078 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587731083 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587731085 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 ZINC000587731087 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587731135 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587731136 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587731137 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(F)cc(I)cc23)N1 ZINC000587731138 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587731159 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587731160 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587731161 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587731162 KK Annotated Anodyne COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587731173 KK Annotated Reactive COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587731174 KK Annotated Reactive COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587731176 KK Annotated Reactive COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587731178 KK Annotated Reactive COc1ccc2c(c1I)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731180 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731193 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731195 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587731197 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(F)cc1 ZINC000587731211 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(F)cc1 ZINC000587731212 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(F)cc1 ZINC000587731213 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(F)cc1 ZINC000587731214 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587731232 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587731234 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587731236 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccc(F)cc12 ZINC000587731238 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587731268 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587731269 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587731270 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)O)=CN(C1CC1)c1c2cc(F)c(F)c1Cl ZINC000587731271 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731272 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731273 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731274 KK Annotated Anodyne CCOC(=O)C1=CN(C2CC2)c2c(cc(F)c(F)c2OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587731275 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587731381 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587731384 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587731386 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(F)cc(F)c2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587731389 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731396 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731397 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731398 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731400 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587731443 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587731449 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587731451 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587731452 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731577 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731582 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731584 KK Annotated Anodyne COc1ccc2c(c1I)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587731586 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587731684 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587731696 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587731698 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587731701 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587731719 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587731721 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587731722 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587731723 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccc(F)cc1)CCC/C2=C\c1ccc(F)cc1 ZINC000587731724 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731730 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731731 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731732 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncccc2C(=O)O)(c2ccc(F)cc2)N1 ZINC000587731733 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587731734 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587731852 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587731853 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587731854 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)O)=CN(c1ccc(F)cc1)c1cc(N3CCNCC3)c(F)cc12 ZINC000587731855 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731944 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731945 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731946 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731947 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587731957 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587731959 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587731962 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587731964 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1cccc(F)c1 ZINC000587731983 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1cccc(F)c1 ZINC000587731985 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1cccc(F)c1 ZINC000587731987 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Br)c1OCc1cccc(F)c1 ZINC000587731989 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587731997 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587732000 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587732002 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(Cc3ccccc3)c2)(c2cc(F)ccc2O)N1 ZINC000587732004 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732042 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732043 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732046 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732048 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(I)cc1 ZINC000587732070 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(I)cc1 ZINC000587732071 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(I)cc1 ZINC000587732072 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(I)cc1 ZINC000587732073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587732074 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587732075 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587732076 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587732077 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732180 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732181 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732184 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732185 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587732246 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587732247 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587732248 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(F)cc2)(c2ccc(Br)cc2)N1 ZINC000587732249 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587732250 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587732251 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587732252 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587732254 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732266 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732267 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732268 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(c2cccnc2NC(=O)C(C)(C)C)N1 ZINC000587732269 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccc(F)cc1 ZINC000587732274 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccc(F)cc1 ZINC000587732275 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccc(F)cc1 ZINC000587732276 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1-c1ccc(F)cc1 ZINC000587732277 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587732294 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587732295 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587732296 KK Annotated Anodyne CCn1cc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 ZINC000587732297 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587732311 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587732316 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587732318 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587732321 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@@]4(C=C3Oc3cc(O)c(F)cc32)N[C@@H](C)Cc2cc(Br)c(F)cc24)c(C)c1 ZINC000587732557 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@]4(C=C3Oc3cc(O)c(F)cc32)N[C@H](C)Cc2cc(Br)c(F)cc24)c(C)c1 ZINC000587732559 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@]4(C=C3Oc3cc(O)c(F)cc32)N[C@@H](C)Cc2cc(Br)c(F)cc24)c(C)c1 ZINC000587732563 KK Annotated Anodyne COC(=O)c1ccc(C2=C3C=C(F)[C@@]4(C=C3Oc3cc(O)c(F)cc32)N[C@H](C)Cc2cc(Br)c(F)cc24)c(C)c1 ZINC000587732566 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732569 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732570 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732572 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2Br)(c2ccc(F)cc2)N1 ZINC000587732574 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587732706 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587732716 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587732719 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587732721 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732801 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732805 KK Annotated Anodyne COc1cccc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587732806 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732807 KK Annotated Anodyne COc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587732808 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587732809 KK Annotated Anodyne COc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587732810 KK Annotated Anodyne COc1cccc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587732812 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587732816 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587732819 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587732821 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(I)=CO2 ZINC000587732824 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587732840 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587732841 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587732842 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)c3ccc(F)cc3)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587732843 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587732844 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587732845 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587732846 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587732847 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587732864 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587732865 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587732866 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587732867 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587732888 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587732889 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587732890 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587732891 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587732896 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587732897 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587732898 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587732899 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587732934 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587732935 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587732936 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C(=O)O)c2cccc(F)c2)(c2ccc(Cl)cc2)N1 ZINC000587732937 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587732946 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587732947 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587732948 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587732949 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587732978 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587732979 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587732980 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587732981 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587732987 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587732999 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587733002 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587733005 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587733063 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587733064 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587733065 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3ncc(I)c-3c(Cl)c2F)N1 ZINC000587733066 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587733067 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587733068 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587733069 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)[nH]c3cccc(I)c23)N1 ZINC000587733070 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733075 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733076 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733077 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733078 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587733090 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587733091 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587733092 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587733093 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733101 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733102 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733103 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCOc3ccc(I)cc32)N1 ZINC000587733104 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587733159 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587733162 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587733164 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587733166 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587733223 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587733233 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587733237 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587733242 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)N1 ZINC000587733248 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 ZINC000587733252 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)N1 ZINC000587733255 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 ZINC000587733259 KK Annotated Reactive CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733270 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733281 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733284 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587733290 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733308 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733311 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733316 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2cc(F)ccc2O)N1 ZINC000587733321 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587733424 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587733427 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587733429 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(F)cc3Br)cc2)N1 ZINC000587733432 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587733512 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587733513 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587733514 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587733515 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587733570 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587733571 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587733572 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587733573 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733578 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733579 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733580 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733581 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587733619 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587733620 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587733622 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 ZINC000587733624 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587733642 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587733647 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587733648 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587733650 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(F)c1 ZINC000587733683 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(F)c1 ZINC000587733687 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(F)c1 ZINC000587733692 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1cccc(F)c1 ZINC000587733696 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733764 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733767 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733772 KK Annotated Anodyne COc1cccc(-c2nn(-c3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587733775 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587733783 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587733785 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587733790 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCN2CC=C(n3c(O)nc4ccccc43)CC2)(c2ccc(F)cc2)N1 ZINC000587733797 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587733867 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587733873 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587733879 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(I)cc1)=COc1cc(O)ccc12 ZINC000587733886 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733927 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587733934 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587733935 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587733937 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733938 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2c2ccc(O)cc2)(c2ccc(F)cc2)N1 ZINC000587733941 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733942 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587733945 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587733947 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587733950 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587733954 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)=C3C=C2F)N1 ZINC000587733957 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587733989 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587734004 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587734007 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587734011 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734030 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734033 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734035 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734037 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587734068 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587734069 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587734072 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 ZINC000587734075 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)N1 ZINC000587734083 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 ZINC000587734085 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)N1 ZINC000587734088 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 ZINC000587734090 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587734101 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587734102 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587734130 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587734132 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587734134 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccc3ncc(I)n23)N1 ZINC000587734137 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587734139 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587734155 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587734157 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587734159 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1Cl ZINC000587734180 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1Cl ZINC000587734182 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1Cl ZINC000587734184 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(F)cc1Cl ZINC000587734186 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734188 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734190 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734192 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587734194 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587734196 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587734198 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587734200 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587734201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)ccc2OCc2cccc(F)c2)N1 ZINC000587734202 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587734203 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587734205 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587734207 KK Annotated Anodyne COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734268 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734269 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734270 KK Annotated Mild COc1ccc(-c2oc3cc(OC)ccc3c2[C@@]2(c3ccc(C#N)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587734271 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587734300 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587734301 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587734302 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(I)nc(Br)c3nc(C(C)(C)C)oc23)N1 ZINC000587734303 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587734324 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587734325 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587734326 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587734327 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587734379 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587734381 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587734391 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587734405 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587734407 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587734408 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587734410 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587734412 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587734414 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(F)cc3)nc3sc4ccccc4n23)N1 ZINC000587734416 KK Annotated Anodyne Cc1cc([C@@]2(CN3CCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587734420 KK Annotated Clean Cc1cc([C@]2(CN3CCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587734424 KK Annotated Clean Cc1cc([C@]2(CN3CCCC3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587734428 KK Annotated Clean Cc1cc([C@@]2(CN3CCCC3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 ZINC000587734433 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587734469 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587734471 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587734474 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCC(C)CC3)cc21 ZINC000587734476 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587734481 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587734485 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587734487 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)N1 ZINC000587734488 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587734538 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587734540 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587734542 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccc(F)cc3)c(Br)c2)N1 ZINC000587734545 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587734652 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587734653 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587734654 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587734655 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587734656 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587734658 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587734660 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(I)=CO2 ZINC000587734663 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587734665 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587734670 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587734671 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587734674 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587734676 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587734678 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587734680 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(N(C)C)[nH]c3cccc(I)c23)N1 ZINC000587734682 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587734693 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587734697 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587734700 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)c(I)nc2Cl)N1 ZINC000587734703 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(I)=CN1Cc1ccccc1 ZINC000587734717 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(I)=CN1Cc1ccccc1 ZINC000587734721 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(I)=CN1Cc1ccccc1 ZINC000587734723 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(I)=CN1Cc1ccccc1 ZINC000587734726 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(I)cc1 ZINC000587734738 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(I)cc1 ZINC000587734740 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(I)cc1 ZINC000587734743 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(I)cc1 ZINC000587734745 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587734766 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587734767 KK Annotated Anodyne COc1ccc([C@@]2(Cc3cccc(F)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587734768 KK Annotated Anodyne COc1ccc([C@]2(Cc3cccc(F)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587734770 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587734877 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587734878 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587734879 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(F)cc32)N1 ZINC000587734880 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587734925 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587734926 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587734927 KK Annotated Anodyne CCOC(=O)C1=C2S[C@H](C)N2c2cc(F)c(F)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587734928 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587734962 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587734963 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587734964 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccc(Cl)cc12 ZINC000587734965 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587734966 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587734967 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587734968 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(I)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587734969 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587734989 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587734992 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587734995 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N1 ZINC000587734998 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587735035 KK Annotated Anodyne CC(C)n1c(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587735048 KK Annotated Anodyne CC(C)n1c(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587735049 KK Annotated Anodyne CC(C)n1c(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587735050 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587735051 KK Annotated Anodyne CC(C)n1c(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccc(F)cc2)c2ccccc21 ZINC000587735052 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587735053 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587735055 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587735056 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587735057 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587735058 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(I)=COc1ccc(Br)cc12 ZINC000587735059 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587735073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587735075 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587735077 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3c(I)cc(Cl)cc23)N1 ZINC000587735079 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587735131 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587735132 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587735133 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587735134 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587735391 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587735393 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587735395 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(COc3ccc(I)cc3)o2)N1 ZINC000587735397 KK Annotated Anodyne CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587735401 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587735404 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587735406 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587735411 KK Annotated Clean Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 ZINC000587735456 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 ZINC000587735458 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 ZINC000587735459 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 ZINC000587735461 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587735464 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587735466 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587735468 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)N1 ZINC000587735470 KK Annotated Anodyne CC(C)[C@@]1([C@@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735607 KK Annotated Anodyne CC(C)[C@@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735608 KK Annotated Anodyne CC(C)[C@@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735609 KK Annotated Anodyne CC(C)[C@@]1([C@@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587735610 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)N1 ZINC000587735635 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)N1 ZINC000587735636 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@@H](C(C)(C)C)C3)N1 ZINC000587735637 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(F)c2)(c2c(N)sc3c2CC[C@H](C(C)(C)C)C3)N1 ZINC000587735638 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735647 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735648 KK Annotated Anodyne COc1ccc([C@@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735649 KK Annotated Anodyne COc1ccc([C@]2(c3c(C)n(CCN4CCOCC4)c4cc(I)ccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735650 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587735667 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587735668 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587735669 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(I)c[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587735670 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(I)=CN1Cc1ccccc1 ZINC000587735703 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(I)=CN1Cc1ccccc1 ZINC000587735704 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(I)=CN1Cc1ccccc1 ZINC000587735705 KK Annotated Anodyne CC1=C(OCc2ccccc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(I)=CN1Cc1ccccc1 ZINC000587735706 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587735711 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(I)ccc1-c1ccc(I)cc12 ZINC000587735712 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587735717 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587735718 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587735719 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)nc(Cl)c2NC(=O)C(C)(C)C)N1 ZINC000587735720 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735721 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735722 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735723 KK Annotated Anodyne CCOC(=O)C1=CN([C@H](CO)C(C)C)c2cc(F)c(I)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587735724 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587735795 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587735796 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587735797 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C34CC5CC(CC(C5)C3)C4)[nH]c3ccc(F)cc23)N1 ZINC000587735798 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735844 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735845 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735846 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccc(F)cc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587735847 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587735848 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587735849 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587735851 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587735852 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736119 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736122 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736124 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cc(F)cc(Br)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736126 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736158 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736159 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736161 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCC(=O)N2C(=O)OC[C@@H]2c2ccccc2)(c2ccc(F)cc2)N1 ZINC000587736163 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(I)c2)N1 ZINC000587736318 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)c(I)c2)N1 ZINC000587736319 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(I)c2)N1 ZINC000587736320 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)c(I)c2)N1 ZINC000587736321 KK Annotated Anodyne C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587736323 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1Cl ZINC000587736325 KK Annotated Anodyne C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587736326 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1Cl ZINC000587736327 KK Annotated Anodyne C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587736328 KK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1Cl ZINC000587736329 KK Annotated Anodyne C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587736330 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(F)cc1Cl ZINC000587736331 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2I)N1 ZINC000587736332 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2I)N1 ZINC000587736334 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2I)N1 ZINC000587736336 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2I)N1 ZINC000587736338 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(I)c2)N1 ZINC000587736340 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)cc(I)c2)N1 ZINC000587736342 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(I)c2)N1 ZINC000587736344 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)cc(I)c2)N1 ZINC000587736346 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587736348 KK Annotated Anodyne CC(C)[C@@]1([C@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736349 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587736350 KK Annotated Anodyne CC(C)[C@@]1([C@@H](C(=O)Nc2ccccc2)[C@@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736351 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587736352 KK Annotated Anodyne CC(C)[C@@]1([C@@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736353 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587736354 KK Annotated Anodyne CC(C)[C@@]1([C@H](C(=O)Nc2ccccc2)[C@H](C(=O)c2ccc(F)cc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736355 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587736356 KK Annotated Reactive CCCCn1cc([C@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587736357 KK Annotated Mild CCCCn1cc([C@@]2(c3cc(F)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587736358 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587736359 KK Annotated Reactive CCCCn1cc([C@@]2(c3cc(F)ccc3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587736360 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587736361 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587736362 KK Annotated Reactive CCCCn1cc([C@]2(c3cc(F)ccc3O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C#N)c1=O ZINC000587736363 KK Annotated Mild CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736375 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736379 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736382 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587736386 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587736419 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587736423 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587736427 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(F)cc4C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)=C3C=C2F)N1 ZINC000587736432 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(I)c1C ZINC000587736461 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(I)c1C ZINC000587736469 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736470 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(I)c1C ZINC000587736472 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cn1nc(C)c(I)c1C ZINC000587736474 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736475 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736479 KK Annotated Anodyne Cc1c(CN=O)c2ccccn2c1[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736481 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736483 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736487 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736492 KK Annotated Anodyne CCOC(=O)C[C@]1(C[C@H](O)/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736495 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2I)N1 ZINC000587736596 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2I)N1 ZINC000587736599 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2I)N1 ZINC000587736602 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2I)N1 ZINC000587736606 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587736628 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587736629 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587736630 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccc(F)cc3)c([N+](=O)[O-])c2)N1 ZINC000587736631 KK Annotated Bother COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587736632 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587736633 KK Annotated Anodyne COc1ccc([C@@]2(Cc3ccc(F)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587736634 KK Annotated Anodyne COc1ccc([C@]2(Cc3ccc(F)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587736635 KK Annotated Anodyne CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736660 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736666 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736667 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736669 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587736682 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587736683 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587736684 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(c2ccc(C#Cc3ccccc3)cc2)N1 ZINC000587736685 KK Annotated Mild Cc1cc(I)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(F)(F)F ZINC000587736695 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(F)(F)F ZINC000587736698 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(F)(F)F ZINC000587736699 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1NC(=O)C(F)(F)F ZINC000587736700 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587736701 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587736708 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587736711 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587736713 KK Annotated Bother Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736742 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736749 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736752 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736756 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(I)cc2)N1 ZINC000587736773 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(I)cc2)N1 ZINC000587736781 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(I)cc2)N1 ZINC000587736782 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(I)cc2)N1 ZINC000587736784 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(I)c2)N1 ZINC000587736792 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(I)c2)N1 ZINC000587736794 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(I)c2)N1 ZINC000587736796 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(I)c2)N1 ZINC000587736798 KK Annotated Reactive CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccc(F)cc1 ZINC000587736818 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccc(F)cc1 ZINC000587736821 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccc(F)cc1 ZINC000587736823 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1-c1ccc(F)cc1 ZINC000587736826 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587736855 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587736858 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587736861 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587736862 KK Annotated Clean Cc1cc(I)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(F)(F)F ZINC000587736872 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(F)(F)F ZINC000587736875 KK Annotated Anodyne Cc1cc(I)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(F)(F)F ZINC000587736877 KK Annotated Anodyne Cc1cc(I)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1NC(=O)C(F)(F)F ZINC000587736880 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736919 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736922 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736925 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587736928 KK Annotated Anodyne CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587736937 KK Annotated Anodyne CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587736940 KK Annotated Anodyne CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587736943 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587736945 KK Annotated Reactive CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587736946 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587736948 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587736950 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587736952 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587737006 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587737007 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587737008 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2)N1 ZINC000587737009 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587737047 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587737050 KK Annotated Clean CCN1C=C(C(=O)O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587737055 KK Annotated Clean CCN1C=C(C(=O)O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(N3CCCCC3)cc21 ZINC000587737058 KK Annotated Clean COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587737123 KK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737126 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587737127 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587737128 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587737130 KK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737132 KK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737135 KK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1I ZINC000587737137 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737153 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737156 KK Annotated Anodyne CCn1ccnc1[C@]1(c2ccc(I)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737159 KK Annotated Anodyne CCn1ccnc1[C@@]1(c2ccc(I)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737162 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587737197 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587737198 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587737199 KK Annotated Anodyne CCN1C=C(S(=O)(=O)c2cccc(Cl)c2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(F)c(F)cc21 ZINC000587737203 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587737204 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587737208 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587737210 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587737212 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587737229 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587737232 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587737235 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587737237 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737241 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737242 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737244 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737246 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587737268 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587737269 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587737270 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587737271 KK Annotated Anodyne CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587737335 KK Annotated Anodyne CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587737337 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587737338 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587737339 KK Annotated Clean CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587737340 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587737341 KK Annotated Clean CCCN1C=C(S(=O)(=O)c2cccc(C)c2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(F)c(F)cc21 ZINC000587737342 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccc(F)cc2)(c2ccc(Br)cc2O)N1 ZINC000587737343 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2Br)N1 ZINC000587737357 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)ccc2Br)N1 ZINC000587737359 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2Br)N1 ZINC000587737362 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc([C@@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587737363 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)ccc2Br)N1 ZINC000587737365 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc([C@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587737367 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc([C@@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587737370 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc([C@H](C#N)c3ccc(F)cc3)cc2)N1 ZINC000587737373 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(I)c2)N1 ZINC000587737377 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(I)c2)N1 ZINC000587737379 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(I)c2)N1 ZINC000587737382 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(I)c2)N1 ZINC000587737384 KK Annotated Reactive Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737404 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737408 KK Annotated Anodyne Cc1ccc(I)cc1[C@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737411 KK Annotated Anodyne Cc1ccc(I)cc1[C@@]1(c2ccc(-c3ccc(F)cc3)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737414 KK Annotated Anodyne CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 ZINC000587737423 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 ZINC000587737424 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 ZINC000587737427 KK Annotated Reactive CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 ZINC000587737429 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587737495 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587737501 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587737504 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587737507 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(Br)cc2F)N1 ZINC000587737544 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(Br)cc2F)N1 ZINC000587737545 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(Br)cc2F)N1 ZINC000587737546 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(Br)cc2F)N1 ZINC000587737547 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)cc(I)c2O)N1 ZINC000587737548 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)cc(I)c2O)N1 ZINC000587737549 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)cc(I)c2O)N1 ZINC000587737550 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)cc(I)c2O)N1 ZINC000587737551 KK Annotated Clean COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587737568 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccc(F)cc4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587737569 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587737570 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccc(F)cc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587737571 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587737596 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587737597 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587737598 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccc(F)cc3)c3cc(F)ccc3[nH]c2=O)N1 ZINC000587737599 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587737616 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587737617 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587737618 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)(C2CCN(CCn3c(O)nc4ccccc4c3=O)CC2)N1 ZINC000587737619 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737628 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737639 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737641 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737644 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737685 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737689 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737690 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737691 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587737692 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587737693 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587737694 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2I)N1 ZINC000587737695 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587737700 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587737701 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587737702 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587737703 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587737724 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587737725 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587737726 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587737727 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587737744 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587737745 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587737746 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587737747 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1I ZINC000587737756 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1I ZINC000587737757 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1I ZINC000587737758 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1I ZINC000587737759 KK Annotated Clean Cc1nc(Cl)c(I)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737760 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737761 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737762 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737763 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccc(F)cc3)c3cc(Cl)ccc3[nH]c2=O)N1 ZINC000587737768 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(-c3ccc(F)cc3)c3cc(Cl)ccc3[nH]c2=O)N1 ZINC000587737769 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccc(F)cc3)c3cc(Cl)ccc3[nH]c2=O)N1 ZINC000587737770 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(-c3ccc(F)cc3)c3cc(Cl)ccc3[nH]c2=O)N1 ZINC000587737771 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587737784 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587737785 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587737786 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)c2ccc(F)cc2)N1 ZINC000587737787 KK Annotated Anodyne CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737836 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737837 KK Annotated Mild CCCCCCC[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737838 KK Annotated Mild CCCCCCC[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737839 KK Annotated Mild Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(I)cc1 ZINC000587737844 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(I)cc1 ZINC000587737845 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(I)cc1 ZINC000587737846 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(I)cc1 ZINC000587737847 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737868 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737869 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737870 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737871 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587737876 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587737877 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587737878 KK Annotated Reactive CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587737879 KK Annotated Reactive COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737886 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737887 KK Annotated Anodyne COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737888 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587737889 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2Br)N1 ZINC000587737898 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(I)cc2Br)N1 ZINC000587737899 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2Br)N1 ZINC000587737900 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(I)cc2Br)N1 ZINC000587737901 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587737926 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587737927 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587737928 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(I)cc2)N1 ZINC000587737929 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587737938 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587737939 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587737940 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587737941 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737942 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737943 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737944 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587737945 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587737950 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587737951 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587737952 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)c(I)c([N+](=O)[O-])c2)N1 ZINC000587737953 KK Annotated Bother C=CCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587737958 KK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587737959 KK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587737960 KK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587737961 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737978 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737979 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737980 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 ZINC000587737981 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737982 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737983 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737984 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(c2ccc(I)cc2)N1 ZINC000587737985 KK Annotated Anodyne C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587738030 KK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587738031 KK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587738032 KK Annotated Mild C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OCC)c1OCc1ccc(I)cc1 ZINC000587738033 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(Br)cc2F)N1 ZINC000587738034 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(Br)cc2F)N1 ZINC000587738035 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(Br)cc2F)N1 ZINC000587738036 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(Br)cc2F)N1 ZINC000587738037 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587738046 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587738047 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587738048 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(OCc3ccccc3)c(Cl)n2)N1 ZINC000587738049 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738054 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738055 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738056 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2sc3c(Br)sc(Br)c3c2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738057 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738074 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738075 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738076 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738077 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738082 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738083 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738084 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738085 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(I)c1C ZINC000587738090 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(I)c1C ZINC000587738091 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(I)c1C ZINC000587738092 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cn1nc(C)c(I)c1C ZINC000587738093 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587738094 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587738095 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587738096 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587738097 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(I)cc2)([C@H]2CCCO2)N1 ZINC000587738098 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(I)cc2)([C@@H]2CCCO2)N1 ZINC000587738099 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(I)cc2)([C@@H]2CCCO2)N1 ZINC000587738100 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(I)cc2)([C@H]2CCCO2)N1 ZINC000587738101 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(I)c2)N1 ZINC000587738102 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)cc(I)c2)N1 ZINC000587738103 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(I)c2)N1 ZINC000587738104 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)cc(I)c2)N1 ZINC000587738105 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(I)cc3)nc12 ZINC000587738122 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(I)cc3)nc12 ZINC000587738123 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(I)cc3)nc12 ZINC000587738124 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(I)cc3)nc12 ZINC000587738125 KK Annotated Anodyne CCCOc1c(I)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738178 KK Annotated Anodyne CCCOc1c(I)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738179 KK Annotated Anodyne CCCOc1c(I)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738180 KK Annotated Anodyne CCCOc1c(I)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587738181 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587738198 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587738199 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587738200 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccc(I)cc3)c3ccc(I)cc3)cc2)N1 ZINC000587738201 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738232 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738233 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738234 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738235 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738288 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738289 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738290 KK Annotated Anodyne Cc1nc(Cl)c(I)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738291 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587738296 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587738297 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587738298 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587738299 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587738320 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587738321 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587738322 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587738323 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(I)c2)N1 ZINC000587738352 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)c(I)c2)N1 ZINC000587738353 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(I)c2)N1 ZINC000587738354 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)c(I)c2)N1 ZINC000587738355 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738368 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738369 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738370 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738371 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738404 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738405 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587738414 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738415 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O ZINC000587738416 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587738417 KK Annotated Reactive COc1c(I)cc(Br)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738422 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587738423 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587738424 KK Annotated Reactive COc1c(I)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738425 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738426 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738427 KK Annotated Anodyne Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCC3 ZINC000587738428 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738429 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738430 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738431 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738432 KK Annotated Anodyne Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCC3 ZINC000587738441 KK Annotated Clean Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCC3 ZINC000587738443 KK Annotated Clean Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCC3 ZINC000587738446 KK Annotated Clean CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587738459 KK Annotated Mild CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587738474 KK Annotated Mild CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587738477 KK Annotated Mild CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587738479 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587738517 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587738518 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587738519 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(I)cc3)nc3ncccn23)N1 ZINC000587738520 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738534 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738540 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738542 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587738544 KK Annotated Bother CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587738570 KK Annotated Clean CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587738571 KK Annotated Clean CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587738572 KK Annotated Clean CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587738573 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738578 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738579 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738580 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587738581 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2I)N1 ZINC000587738622 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)ccc2I)N1 ZINC000587738624 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2I)N1 ZINC000587738625 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)ccc2I)N1 ZINC000587738626 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738696 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2cc(I)c(O)c(I)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738698 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738701 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2cc(I)c(O)c(I)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587738702 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738703 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738704 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738705 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccc(I)cc1 ZINC000587738706 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2Br)N1 ZINC000587738707 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)ccc2Br)N1 ZINC000587738708 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2Br)N1 ZINC000587738709 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)ccc2Br)N1 ZINC000587738710 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(I)cc2)N1 ZINC000587738730 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(I)cc2)N1 ZINC000587738731 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(I)cc2)N1 ZINC000587738733 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(I)cc2)N1 ZINC000587738735 KK Annotated Reactive CCN(CC)c1ccc2cc(-c3ccc([C@]4(C#N)N[C@H](C)Cc5cc(Br)c(F)cc54)cc3)c(=O)oc2c1 ZINC000587738764 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc([C@]4(C#N)N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3)c(=O)oc2c1 ZINC000587738765 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc([C@@]4(C#N)N[C@H](C)Cc5cc(Br)c(F)cc54)cc3)c(=O)oc2c1 ZINC000587738766 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc([C@@]4(C#N)N[C@@H](C)Cc5cc(Br)c(F)cc54)cc3)c(=O)oc2c1 ZINC000587738767 KK Annotated Mild COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738824 KK Annotated Anodyne COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738825 KK Annotated Anodyne COc1cccc(F)c1[C@@]1(c2cc(Cl)ccc2I)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738826 KK Annotated Anodyne COc1cccc(F)c1[C@]1(c2cc(Cl)ccc2I)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587738827 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738862 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738864 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738865 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(I)ccc2F)(C(F)(F)F)N1 ZINC000587738866 KK Annotated Anodyne CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c(C)c1 ZINC000587738924 KK Annotated Mild CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c(C)c1 ZINC000587738925 KK Annotated Mild CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c(C)c1 ZINC000587738926 KK Annotated Mild CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c(C)c1 ZINC000587738927 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587739006 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587739007 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587739008 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587739009 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587739014 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587739015 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587739016 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc([N+](=O)[O-])ccc2I)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587739017 KK Annotated Bother CCCOc1c(I)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587739018 KK Annotated Anodyne CCCOc1c(I)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587739019 KK Annotated Anodyne CCCOc1c(I)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587739020 KK Annotated Anodyne CCCOc1c(I)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587739021 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(I)I)(C(F)(F)F)N1 ZINC000587739026 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(I)I)(C(F)(F)F)N1 ZINC000587739027 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(I)I)(C(F)(F)F)N1 ZINC000587739028 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(I)I)(C(F)(F)F)N1 ZINC000587739029 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587739058 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587739059 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587739060 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(F)(F)F)cc2I)N1 ZINC000587739061 KK Annotated Anodyne Cc1cc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1I ZINC000587739070 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1I ZINC000587739071 KK Annotated Clean Cc1cc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1I ZINC000587739072 KK Annotated Clean Cc1cc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1I ZINC000587739073 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(I)cc2)([C@@H]2CCCO2)N1 ZINC000587739082 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(I)cc2)([C@H]2CCCO2)N1 ZINC000587739083 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(I)cc2)([C@H]2CCCO2)N1 ZINC000587739084 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(I)cc2)([C@@H]2CCCO2)N1 ZINC000587739085 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587739156 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587739157 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587739158 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587739159 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2Br)N1 ZINC000587739208 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(I)cc2Br)N1 ZINC000587739209 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2Br)N1 ZINC000587739210 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(I)cc2Br)N1 ZINC000587739211 KK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(I)cc1 ZINC000587739232 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(I)cc1 ZINC000587739233 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(I)cc1 ZINC000587739234 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(I)cc1 ZINC000587739235 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739236 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739237 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739238 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739239 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587739248 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587739249 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587739250 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)c(O)c(I)c2)N1 ZINC000587739251 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccccc1C#N ZINC000587739265 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccccc1C#N ZINC000587739268 KK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccccc1C#N ZINC000587739270 KK Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OCc1ccccc1C#N ZINC000587739272 KK Annotated Mild CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739285 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739287 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739288 KK Annotated Clean COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739289 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739290 KK Annotated Anodyne CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739291 KK Annotated Clean COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739292 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587739294 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)[C@@H]([C@@H]4CC[C@H]3O4)[C@@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739304 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)[C@@H]([C@@H]4CC[C@H]3O4)[C@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739309 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@@H]3[C@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739312 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587739313 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587739314 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@@H]3[C@@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739315 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587739316 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cnc(NC(=O)C(C)(C)C)c2I)N1 ZINC000587739317 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739331 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739332 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739333 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(I)cc3)nc3ccccn23)N1 ZINC000587739334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H]2C(=O)C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@H]23)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739354 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@@H]2C(=O)C=C[C@@]3(C)[C@H]2[C@@H]2CC[C@H]3O2)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739355 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@H]2C(=O)C=C[C@@]3(C)[C@H]2[C@@H]2CC[C@H]3O2)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739356 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC[C@@H]2C(=O)C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@H]23)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587739357 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587739466 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587739467 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587739468 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587739469 KK Annotated Reactive CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)[C@@H]2O[C@@H]2C1=O ZINC000587739567 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)[C@@H]2O[C@@H]2C1=O ZINC000587739568 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)[C@@H]2O[C@@H]2C1=O ZINC000587739569 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)[C@@H]2O[C@@H]2C1=O ZINC000587739571 KK Annotated Mild CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1 ZINC000587739577 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1 ZINC000587739580 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1 ZINC000587739581 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1ccccc1 ZINC000587739582 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587739620 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587739628 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587739630 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587739631 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(I)cc3)nc12 ZINC000587739660 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(I)cc3)nc12 ZINC000587739661 KK Annotated Anodyne Cc1cccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(I)cc3)nc12 ZINC000587739663 KK Annotated Anodyne Cc1cccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(I)cc3)nc12 ZINC000587739665 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587739668 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587739671 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587739672 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Cl)ccc2I)(c2c(F)cccc2F)N1 ZINC000587739673 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739685 KK Annotated Anodyne COc1cccc([C@@]2(c3cc(I)ccc3NC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739689 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739692 KK Annotated Anodyne COc1cccc([C@]2(c3cc(I)ccc3NC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587739694 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739723 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739726 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739729 KK Annotated Anodyne CCOC(=O)C1=CN(CC)c2c(cc(F)c(F)c2F)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587739730 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587739733 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587739736 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587739739 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(I)cc2)N1 ZINC000587739741 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739754 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739756 KK Annotated Anodyne CC(C)[C@@]1(c2ccc(-c3ccccc3I)s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739758 KK Annotated Anodyne CC(C)[C@]1(c2ccc(-c3ccccc3I)s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587739760 KK Annotated Anodyne CCN(CC)c1ccc2cc(-c3ccc([C@]4(C#N)N[C@H](C)Cc5ccc(F)c(Br)c54)cc3)c(=O)oc2c1 ZINC000587739889 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc([C@]4(C#N)N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3)c(=O)oc2c1 ZINC000587739890 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc([C@@]4(C#N)N[C@H](C)Cc5ccc(F)c(Br)c54)cc3)c(=O)oc2c1 ZINC000587739891 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc([C@@]4(C#N)N[C@@H](C)Cc5ccc(F)c(Br)c54)cc3)c(=O)oc2c1 ZINC000587739892 KK Annotated Mild CCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587739923 KK Annotated Clean CCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587739924 KK Annotated Clean CCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587739925 KK Annotated Clean CCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587739926 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587739935 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587739936 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587739937 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587739938 KK Annotated Clean CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c(C)c1 ZINC000587739945 KK Annotated Mild CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c(C)c1 ZINC000587739946 KK Annotated Mild CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c(C)c1 ZINC000587739947 KK Annotated Mild CCN(CC)c1ccc(N=C2C=C(C(=O)Nc3ccccc3)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c(C)c1 ZINC000587739948 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587740016 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587740023 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587740024 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587740025 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2I)N1 ZINC000587740048 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2I)N1 ZINC000587740051 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2I)N1 ZINC000587740053 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2I)N1 ZINC000587740055 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587740081 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587740082 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587740083 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(I)cc3)nc3ccc(Cl)cn23)N1 ZINC000587740084 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740092 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740093 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740095 KK Annotated Anodyne COc1c(I)cc(Br)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740096 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587740106 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587740108 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587740109 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccc(I)cc2)(C(F)(F)F)N1 ZINC000587740110 KK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740125 KK Annotated Anodyne CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740127 KK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740128 KK Annotated Anodyne CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1I ZINC000587740130 KK Annotated Anodyne COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587740132 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587740134 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587740136 KK Annotated Reactive COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O ZINC000587740138 KK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC(C)C ZINC000587740139 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC(C)C ZINC000587740140 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC(C)C ZINC000587740141 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OC(C)C ZINC000587740142 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC(C)C ZINC000587740169 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC(C)C ZINC000587740170 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC(C)C ZINC000587740171 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1OC(C)C ZINC000587740172 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587740201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587740202 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587740203 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 ZINC000587740204 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587740205 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587740206 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccccc1 ZINC000587740207 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587740208 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740220 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740230 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587740232 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740233 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587740234 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740235 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587740236 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587740237 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740238 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740239 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740241 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740245 KK Annotated Anodyne C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740248 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740259 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740262 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740264 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740287 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740295 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740296 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740299 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740302 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740305 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740308 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587740314 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587740323 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587740324 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587740325 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(NCCN(Cc5ccccn5)Cc5ccccn5)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587740326 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587740341 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587740342 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587740344 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587740346 KK Annotated Reactive CCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587740361 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587740362 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587740363 KK Annotated Clean CCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587740366 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587740397 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587740402 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587740403 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587740404 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587740426 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587740429 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587740430 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587740431 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740445 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740446 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740447 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740451 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740454 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740457 KK Annotated Anodyne Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587740459 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740460 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cc2)N1 ZINC000587740461 KK Annotated Anodyne Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587740462 KK Annotated Clean C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740471 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740472 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740473 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740474 KK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccccc1C#N ZINC000587740477 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccccc1C#N ZINC000587740478 KK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccccc1C#N ZINC000587740479 KK Annotated Mild COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1OCc1ccccc1C#N ZINC000587740480 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(I)I)(C(F)(F)F)N1 ZINC000587740553 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(I)I)(C(F)(F)F)N1 ZINC000587740554 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(I)I)(C(F)(F)F)N1 ZINC000587740555 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(I)I)(C(F)(F)F)N1 ZINC000587740556 KK Annotated Reactive C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740579 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740580 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740581 KK Annotated Mild C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740582 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740584 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740587 KK Annotated Mild C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740588 KK Annotated Mild C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740589 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740603 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740610 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740614 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587740617 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587740618 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587740625 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587740627 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587740631 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587740635 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587740639 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587740642 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1 ZINC000587740644 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587740645 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1 ZINC000587740646 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1 ZINC000587740649 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccccc1 ZINC000587740650 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587740652 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587740653 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587740656 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)N1 ZINC000587740659 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740662 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740667 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740669 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740672 KK Annotated Anodyne Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740673 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740674 KK Annotated Clean Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587740675 KK Annotated Clean Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587740678 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740679 KK Annotated Clean CCCCCCCCCCN(C[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587740682 KK Annotated Mild Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740684 KK Annotated Clean CCCCCCCCCCN(C[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587740694 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587740699 KK Annotated Mild CCCCCCCCCCN(C[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587740704 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587740706 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587740714 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587740718 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587740719 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)[C@@H]2O[C@@H]2C1=O ZINC000587740736 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)[C@@H]2O[C@@H]2C1=O ZINC000587740741 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)[C@@H]2O[C@@H]2C1=O ZINC000587740745 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C\C(=O)N[C@@H]2C(=O)CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)[C@@H]2O[C@@H]2C1=O ZINC000587740748 KK Annotated Mild CCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587740782 KK Annotated Clean CCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587740784 KK Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000587740785 KK Annotated Anodyne CCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587740786 KK Annotated Clean CCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587740789 KK Annotated Clean COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000587740790 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000587740792 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000587740795 KK Annotated Anodyne C[C@@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740861 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(OCc3ccccc3)c2)([C@H](C)CN(C)C)N1 ZINC000587740869 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(OCc3ccccc3)c2)([C@H](C)CN(C)C)N1 ZINC000587740870 KK Annotated Anodyne C[C@@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587740871 KK Annotated Anodyne C[C@@H](CN(C)C)[C@@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740880 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(OCc3ccccc3)c2)([C@H](C)CN(C)C)N1 ZINC000587740881 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(OCc3ccccc3)c2)([C@H](C)CN(C)C)N1 ZINC000587740883 KK Annotated Anodyne C[C@@H](CN(C)C)[C@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587740885 KK Annotated Anodyne CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740895 KK Annotated Clean CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587740896 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)cc(I)c2O)N1 ZINC000587740941 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)cc(I)c2O)N1 ZINC000587740942 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(I)cc(I)c2O)N1 ZINC000587740943 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(I)cc(I)c2O)N1 ZINC000587740944 KK Annotated Clean C=CCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587740945 KK Annotated Mild C=CCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587740946 KK Annotated Mild C=CCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587740947 KK Annotated Mild C=CCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OCc1ccc(I)cc1 ZINC000587740948 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587740957 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587740958 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587740959 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(I)c(F)c(I)c2)N1 ZINC000587740960 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)N1 ZINC000587741076 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)N1 ZINC000587741081 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2)N1 ZINC000587741082 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2)N1 ZINC000587741083 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587741268 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587741272 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587741351 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587741354 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587741357 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587741361 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587741402 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587741403 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587741404 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587741405 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741418 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741420 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741423 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587741425 KK Annotated Clean CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]2C1 ZINC000587741438 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587741445 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]2C1 ZINC000587741446 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2C1 ZINC000587741447 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587741448 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2C1 ZINC000587741449 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587741450 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587741452 KK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587741469 KK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587741471 KK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587741473 KK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587741476 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2)N1 ZINC000587741542 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2)N1 ZINC000587741544 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2)N1 ZINC000587741548 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2)N1 ZINC000587741551 KK Annotated Anodyne CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587741553 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587741563 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587741566 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 ZINC000587741567 KK Annotated Clean COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587741782 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587741786 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587741792 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000587741796 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587741827 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587741837 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587741842 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587741846 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587741860 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587741874 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587741877 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587741879 KK Annotated Anodyne CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742076 KK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742078 KK Annotated Clean CCN(CC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742080 KK Annotated Clean CCN(CC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587742083 KK Annotated Clean Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCC3 ZINC000587742101 KK Annotated Clean Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCC3 ZINC000587742104 KK Annotated Clean Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCC3 ZINC000587742108 KK Annotated Clean Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCC3 ZINC000587742110 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742175 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742178 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742181 KK Annotated Clean Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742184 KK Annotated Clean CCN(CC)CCOc1ccc2c(c1)C1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587742210 KK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587742217 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587742372 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587742375 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587742378 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587742382 KK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587742385 KK Annotated Anodyne CCN(CC)CCOc1ccc2c(c1)C1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(OCCN(CC)CC)ccc1-2 ZINC000587742388 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742389 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742393 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742396 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587742398 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587742402 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587742404 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587742407 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000587742409 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742419 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742422 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2ccc(N(CC)CC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742424 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@]1(c2ccc(N(CC)CC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742425 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587742445 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587742447 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587742450 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Nc3c4ccccc4nc4occc34)cc2)N1 ZINC000587742452 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587742483 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587742484 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587742485 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587742486 KK Annotated Reactive CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742539 KK Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742540 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742541 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587742542 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587742543 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587742544 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587742545 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587742546 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587742589 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587742593 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587742597 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587742599 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742608 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742609 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742613 KK Annotated Clean Cc1c(C)c2cc([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)c(C)c2oc1=O ZINC000587742614 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742615 KK Annotated Clean Cc1c(C)c2cc([C@]3(/C=C/N(C)C)N[C@H](C)Cc4ccc(F)c(Br)c43)c(O)c(C)c2oc1=O ZINC000587742622 KK Annotated Clean Cc1c(C)c2cc([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)c(C)c2oc1=O ZINC000587742625 KK Annotated Clean Cc1c(C)c2cc([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(O)c(C)c2oc1=O ZINC000587742628 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587742656 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587742657 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587742658 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)N1 ZINC000587742659 KK Annotated Anodyne CC(C)C/C(Nc1ccc(CO)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587742660 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587742665 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587742666 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587742667 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742795 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742796 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742797 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccc(N)cc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccc(N)cc4)cc3)cc2)N1 ZINC000587742798 KK Annotated Clean CCCCOc1ccc(C=Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742848 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742849 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742850 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587742851 KK Annotated Mild CCN(CC)c1ccc2c(c1)OC1=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587742852 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587742857 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587742858 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 ZINC000587742859 KK Annotated Anodyne CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742860 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742861 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742862 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587742863 KK Annotated Clean CCCCOc1ccc(C=Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742880 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742881 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742882 KK Annotated Mild CCCCOc1ccc(C=Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587742883 KK Annotated Mild COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742895 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742907 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742909 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587742911 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587742972 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=C1C=CC(=[N+](C)C)C=C1)C(O)=C2c1ccc(N(C)C)cc1 ZINC000587742974 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587742975 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587742976 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587742977 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=C1C=CC(=[N+](C)C)C=C1)C(O)=C2c1ccc(N(C)C)cc1 ZINC000587742978 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743043 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743044 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743045 KK Annotated Mild CC(C)C/C(Nc1ccc(CO)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587743046 KK Annotated Mild CCOc1ccc(NC(=O)COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587743067 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587743068 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587743069 KK Annotated Anodyne CCOc1ccc(NC(=O)COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587743070 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587743111 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587743112 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587743113 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(NCCN(Cc5ccccn5)Cc5ccccn5)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587743114 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587743155 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587743156 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587743157 KK Annotated Anodyne CC(C)N(C(=O)COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1)c1ccccc1 ZINC000587743158 KK Annotated Anodyne CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743179 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743180 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743181 KK Annotated Clean CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587743182 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587743211 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587743215 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587743217 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587743219 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587743221 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587743229 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587743231 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587743234 KK Annotated Bother CCOC(=O)C1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587743237 KK Annotated Clean CCOC(=O)C1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587743247 KK Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587743251 KK Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])CC1 ZINC000587743255 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587743308 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587743312 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587743317 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587743320 KK Annotated Anodyne Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587743432 KK Annotated Clean Cc1c(O)c([C@@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587743434 KK Annotated Clean Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587743437 KK Annotated Clean Cc1c(O)c([C@]2(/C=C/N(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc2c3c(c(=O)oc12)CCCC3 ZINC000587743441 KK Annotated Clean CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587743457 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587743460 KK Annotated Clean CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587743462 KK Annotated Clean CCCCN(CCCC)c1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587743465 KK Annotated Clean CCCCN(CCCC)c1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587743468 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587743474 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587743484 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743486 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587743489 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743495 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743497 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743500 KK Annotated Clean Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743511 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@@H]32 ZINC000587743526 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@@H]32 ZINC000587743530 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@H]23 ZINC000587743532 KK Annotated Mild Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743533 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@H]23 ZINC000587743534 KK Annotated Mild Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743595 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743596 KK Annotated Bother CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743614 KK Annotated Clean CCN(CC)c1ccc(C2(c3ccc(N(CC)CC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743616 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743618 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743620 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@@]1(c2cccc(N(CC)CC)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743623 KK Annotated Clean CCCCCCOC(=O)c1ccccc1[C@]1(c2cccc(N(CC)CC)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587743626 KK Annotated Clean CCCCCCCCCCN(C[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587743634 KK Annotated Mild CCCCCCCCCCN(C[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587743636 KK Annotated Mild CCCCCCCCCCN(C[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587743638 KK Annotated Mild CCCCCCCCCCN(C[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587743639 KK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587743660 KK Annotated Bother COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743663 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743665 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743667 KK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587743669 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587743670 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@H]23 ZINC000587743671 KK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587743672 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587743673 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@@H]32 ZINC000587743680 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@H]23 ZINC000587743693 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C#N)C[C@]1(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@]13O[C@@H]32 ZINC000587743700 KK Annotated Mild CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587743706 KK Annotated Mild CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587743713 KK Annotated Mild CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587743718 KK Annotated Mild CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C(C)C)=CC1=NOC(=O)c1ccccc1C ZINC000587743724 KK Annotated Mild COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743725 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743731 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743734 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587743738 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587743825 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587743826 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587743829 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587743831 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743903 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743904 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743906 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N(C)C)c([N+](=O)[O-])c2)(c2ccccc2C(=O)O)N1 ZINC000587743907 KK Annotated Clean CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2C1 ZINC000587743939 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]2C1 ZINC000587743942 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2C1 ZINC000587743945 KK Annotated Anodyne CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2CC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]2C1 ZINC000587743947 KK Annotated Anodyne COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743972 KK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743976 KK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743977 KK Annotated Bother COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587743978 KK Annotated Bother Cc1c(C)c2cc([C@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)c(C)c2oc1=O ZINC000587743999 KK Annotated Clean Cc1c(C)c2cc([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)c(O)c(C)c2oc1=O ZINC000587744000 KK Annotated Clean Cc1c(C)c2cc([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)c(C)c2oc1=O ZINC000587744002 KK Annotated Clean Cc1c(C)c2cc([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(O)c(C)c2oc1=O ZINC000587744005 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587744032 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587744034 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@@]3(/C=C/N(C)C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587744036 KK Annotated Clean CCCCc1cc(=O)oc2c(C)c(O)c([C@]3(/C=C/N(C)C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 ZINC000587744038 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587744040 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587744043 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587744046 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587744049 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587744061 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587744066 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587744070 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)N(C)C)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587744073 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744088 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744093 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744095 KK Annotated Reactive CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744098 KK Annotated Reactive CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744102 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744106 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744110 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587744112 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587744114 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587744117 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587744120 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCCO3)(c2oc3ccccc3c2N)N1 ZINC000587744124 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587744139 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587744142 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744147 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744152 KK Annotated Anodyne Cc1ccc([C@]2(c3occc3NC(=O)OC(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744156 KK Annotated Anodyne Cc1ccc([C@@]2(c3occc3NC(=O)OC(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744161 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744181 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744183 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744185 KK Annotated Anodyne COc1ccc(/C(=C\N(C)C)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744187 KK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744190 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744192 KK Annotated Anodyne COc1cccc([C@]2([C@H](C)CN(C)Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744194 KK Annotated Anodyne COc1cccc([C@]2([C@@H](C)CN(C)Cc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587744196 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744204 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744211 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744216 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC1=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 ZINC000587744221 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744257 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744258 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(\C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744261 KK Annotated Anodyne CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744264 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744266 KK Annotated Mild CCCC[C@@H](C)/C=C(C)/C=C(/C)C(=O)NC1=C[C@@](O)(/C=C/C=C/C=C/C(=O)NC2C(=O)CCC2=O)[C@@H]2O[C@@H]2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744267 KK Annotated Anodyne Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744269 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587744270 KK Annotated Mild COC1=CC=C2C(=C[C@@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587744286 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587744296 KK Annotated Anodyne COC1=CC=C2C(=C[C@@]13N[C@H](C)Cc1cc(Br)c(F)cc13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587744298 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587744300 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587744369 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587744370 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587744371 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587744372 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744385 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744386 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744387 KK Annotated Bother COc1ccc(CNc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587744388 KK Annotated Bother CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744455 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744456 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744457 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587744459 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744460 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587744462 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587744463 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744464 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587744465 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744466 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587744467 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744469 KK Annotated Bother C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744489 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744494 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744495 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744497 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587744514 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587744515 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587744520 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587744521 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587744522 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587744523 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587744526 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587744529 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587744538 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587744539 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587744540 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587744541 KK Annotated Mild Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744655 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744680 KK Annotated Bother Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744683 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587744685 KK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744713 KK Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744727 KK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744729 KK Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587744731 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587744743 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587744751 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587744753 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587744756 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587744770 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587744773 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587744776 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)Nc2ccc3c(c2)OCCO3)(c2ccccc2)N1 ZINC000587744778 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)CC2)N1 ZINC000587744780 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587744797 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)CC2)N1 ZINC000587744801 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1 ZINC000587744804 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1 ZINC000587744806 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1 ZINC000587744808 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1 ZINC000587744810 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587744828 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587744830 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587744832 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587744833 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744862 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744864 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744867 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744869 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587744870 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587744871 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744876 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744877 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744878 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744879 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744884 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744885 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744886 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744887 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744888 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744889 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744890 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744891 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744912 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744913 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744914 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(OCCCN)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCN)cc1C4=O ZINC000587744915 KK Annotated Bother C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744920 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744921 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744922 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587744923 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587744928 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587744929 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587744930 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587744931 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744932 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744933 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744934 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](COC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744935 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587744948 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587744949 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587744950 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587744951 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744956 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744957 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744958 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](Cc2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587744959 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587744964 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587744965 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587744966 KK Annotated Clean CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745050 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745051 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745052 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745053 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745081 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745084 KK Annotated Clean COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587745087 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745089 KK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587745090 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745093 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745103 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745108 KK Annotated Clean Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745110 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745111 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(Nc3cccc4c3C(=O)c3ccccc3C4=O)cccc12 ZINC000587745112 KK Annotated Clean Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745113 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745114 KK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587745116 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587745133 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587745135 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587745138 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccc([N+](=O)[O-])c2)(c2ccc3c(c2)OCO3)N1 ZINC000587745140 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)N1 ZINC000587745141 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)N1 ZINC000587745144 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)N1 ZINC000587745146 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(OC(=O)c3cccc([N+](=O)[O-])c3)ccc3ccccc23)N1 ZINC000587745148 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587745166 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587745168 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587745170 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587745172 KK Annotated Bother CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@@]3(C=C21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587745190 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@]3(C=C21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587745195 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@]3(C=C21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587745198 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@@]3(C=C21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587745201 KK Annotated Anodyne CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745218 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745223 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745225 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745226 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745227 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745228 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745229 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745231 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587745234 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587745236 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587745239 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587745241 KK Annotated Mild Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745247 KK Annotated Bother Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745252 KK Annotated Bother Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745253 KK Annotated Bother Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745254 KK Annotated Bother CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745287 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745292 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745295 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745298 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2-c2ccccc2)([C@@H](CCCN)C(=O)O)N1 ZINC000587745320 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2-c2ccccc2)([C@@H](CCCN)C(=O)O)N1 ZINC000587745321 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2-c2ccccc2)([C@H](CCCN)C(=O)O)N1 ZINC000587745322 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2-c2ccccc2)([C@H](CCCN)C(=O)O)N1 ZINC000587745323 KK Annotated Anodyne CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745324 KK Annotated Mild CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745325 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745326 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745327 KK Annotated Mild CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745328 KK Annotated Mild CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745329 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745330 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745331 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745340 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745341 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745342 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745343 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745344 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745345 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745346 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745347 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745365 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745366 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745367 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745368 KK Annotated Mild C/C=C/NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587745382 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587745383 KK Annotated Clean C/C=C\NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587745408 KK Annotated Mild C/C=C\NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587745413 KK Annotated Mild C/C=C/NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587745416 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587745417 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587745425 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587745429 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745455 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745458 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745462 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N(C)C)cc2)(c2ccc([N+](=O)[O-])cc2)N1 ZINC000587745467 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587745473 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745486 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587745488 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745491 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587745543 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587745547 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587745551 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000587745554 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587745557 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587745563 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587745566 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587745569 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745573 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745575 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745579 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c([N+](=O)[O-])c1 ZINC000587745583 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587745621 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587745625 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587745628 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587745631 KK Annotated Bother CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745632 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745635 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745639 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587745643 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745647 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745655 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745660 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587745666 KK Annotated Anodyne CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745671 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587745672 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587745675 KK Annotated Anodyne CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745678 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745683 KK Annotated Mild Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745684 KK Annotated Bother Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745686 KK Annotated Bother CC(C)C/C(Nc1ccc(COC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587745687 KK Annotated Mild Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745688 KK Annotated Bother Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3n2C)c([N+](=O)[O-])c1 ZINC000587745689 KK Annotated Bother COCc1cc(C)nc2oc([C@@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N)c12 ZINC000587745704 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c(N)c12 ZINC000587745710 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N)c12 ZINC000587745714 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c(N)c12 ZINC000587745719 KK Annotated Anodyne C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745723 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745727 KK Annotated Mild C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745731 KK Annotated Mild C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745738 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745744 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745746 KK Annotated Mild C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745749 KK Annotated Mild C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587745751 KK Annotated Mild C/C=C/NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587745758 KK Annotated Mild C/C=C\NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587745759 KK Annotated Mild C/C=C\NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587745760 KK Annotated Mild C/C=C/NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587745761 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587745853 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3)cc2)N1 ZINC000587745855 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587745892 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587745894 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587745898 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000587745902 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1 ZINC000587745919 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1 ZINC000587745923 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1 ZINC000587745927 KK Annotated Anodyne COc1cc(NC(=O)COc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1 ZINC000587745929 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587746018 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587746019 KK Annotated Clean COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587746064 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587746065 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587746067 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587746069 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746155 KK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746156 KK Annotated Bother Cc1ccc([C@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746157 KK Annotated Bother Cc1ccc([C@@]2(c3nccn3Cc3ccccc3[N+](=O)[O-])N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746158 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587746161 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cccc(Nc3cccc4c3C(=O)c3ccccc3C4=O)c12 ZINC000587746162 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587746195 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587746196 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587746197 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(NC2CCCC2)c(O)c1 ZINC000587746198 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@@]3(C=C21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587746231 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@]3(C=C21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587746232 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@@]3(C=C21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587746233 KK Annotated Anodyne CN[C@H]1CCc2cc(OC)c(OC)c(OC)c2C2=CC=C(OC)[C@]3(C=C21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587746234 KK Annotated Anodyne COC1=CC=C2C(=C[C@@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587746239 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587746240 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587746241 KK Annotated Anodyne COC1=CC=C2C(=C[C@@]13N[C@H](C)Cc1ccc(F)c(Br)c13)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587746242 KK Annotated Anodyne COc1cc(C[C@@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587746298 KK Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587746299 KK Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587746300 KK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc([N+](=O)[O-])c1O ZINC000587746301 KK Annotated Bother Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746380 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746382 KK Annotated Bother Cc1ccc([C@@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746384 KK Annotated Bother Cc1ccc([C@]2(COC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587746386 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)CC2)N1 ZINC000587746445 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(NC(=O)OCC3c4ccccc4-c4ccccc43)(C(=O)O)CC2)N1 ZINC000587746447 KK Annotated Anodyne C=CNNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587746521 KK Annotated Mild C=CNNC1=C([C@@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587746522 KK Annotated Mild C=CNNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587746523 KK Annotated Mild C=CNNC1=C([C@@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)c2ccccc21 ZINC000587746524 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746545 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746546 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746547 KK Annotated Mild C/C(N[C@H](CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746548 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746553 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746554 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746555 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746556 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746557 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746558 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746559 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746560 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746585 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746586 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746587 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746588 KK Annotated Mild CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746674 KK Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746675 KK Annotated Anodyne CCCCCC[C@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746677 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746678 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587746688 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587746691 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587746692 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587746693 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587746726 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587746728 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587746731 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587746733 KK Annotated Reactive CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746735 KK Annotated Clean CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746739 KK Annotated Clean CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746742 KK Annotated Clean CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746744 KK Annotated Clean CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746887 KK Annotated Mild CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746888 KK Annotated Mild CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746889 KK Annotated Mild CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587746890 KK Annotated Mild CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746927 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746928 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746929 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587746930 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587746939 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587746940 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587746941 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587746942 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587746947 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587746948 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587746949 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(N)c(N)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587746950 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587746955 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587746956 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587746957 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)C(c1ccccc1)c1ccccc1)=C(NN)c1ccccc12 ZINC000587746958 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746975 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746976 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746977 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587746978 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747031 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747034 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587747097 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587747098 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587747099 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)N1 ZINC000587747100 KK Annotated Clean COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587747109 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587747111 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587747113 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000587747115 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747133 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747136 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747138 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747140 KK Annotated Bother COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747157 KK Annotated Bother COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747162 KK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747163 KK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747164 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587747181 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587747182 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587747183 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587747184 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587747185 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587747186 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587747187 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)CC2)N1 ZINC000587747188 KK Annotated Bother CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747213 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747214 KK Annotated Mild CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747215 KK Annotated Mild CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747216 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747217 KK Annotated Mild CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587747218 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587747227 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587747228 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587747229 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 ZINC000587747230 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587747231 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CN[C@H](C)c2ccccc2)N1 ZINC000587747232 KK Annotated Anodyne C[C@H](NCC(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccccc1 ZINC000587747233 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CN[C@@H](C)c2ccccc2)N1 ZINC000587747234 KK Annotated Anodyne C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747247 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747248 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747249 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747250 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747251 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747252 KK Annotated Mild C/C(N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747253 KK Annotated Mild C/C(N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747254 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747307 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747310 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747311 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747313 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747315 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747316 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587747318 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587747320 KK Annotated Anodyne C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587747321 KK Annotated Mild C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587747322 KK Annotated Mild C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587747323 KK Annotated Mild C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587747325 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587747336 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587747339 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587747341 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)OC(C)(C)C)N1 ZINC000587747343 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587747344 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587747345 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587747346 KK Annotated Anodyne CC(C)c1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1cc(C(=O)O)c(N)nc1O2 ZINC000587747347 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N)c12 ZINC000587747352 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c(N)c12 ZINC000587747353 KK Annotated Anodyne COCc1cc(C)nc2oc([C@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N)c12 ZINC000587747354 KK Annotated Anodyne COCc1cc(C)nc2oc([C@@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c(N)c12 ZINC000587747355 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587747449 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587747455 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587747457 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587747459 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587747473 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587747479 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587747481 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747497 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747498 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747499 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747500 KK Annotated Bother C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747527 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747528 KK Annotated Anodyne C/C=C(\NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747529 KK Annotated Anodyne C/C=C(/NOCC)[C@@H]1C(=O)C[C@H](c2c(C)cc(C)cc2C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747530 KK Annotated Anodyne C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747531 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747532 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747533 KK Annotated Mild C/C(N[C@@H](CCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587747534 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747541 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@H]2CCCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747542 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747543 KK Annotated Mild CCCCCCCCC[C@]1(CC(=O)N[C@@H]2CCCCC2=O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747544 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587747553 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587747554 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587747555 KK Annotated Anodyne CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587747556 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587747610 KK Annotated Anodyne COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587747613 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587747615 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587747618 KK Annotated Bother COC(=O)c1cccc([N+](=O)[O-])c1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587747620 KK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587747641 KK Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587747643 KK Annotated Bother COc1cc(C[C@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587747645 KK Annotated Bother COc1cc(C[C@@]2(Cc3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc([N+](=O)[O-])c1O ZINC000587747647 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587747653 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587747656 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587747658 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587747660 KK Annotated Bother CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747675 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747677 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747679 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1ccc(N=Nc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])cc1 ZINC000587747681 KK Annotated Mild COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587747782 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587747783 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587747784 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000587747785 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747820 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747822 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747824 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)N1 ZINC000587747826 KK Annotated Bother COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747982 KK Annotated Bother COc1cc(C=O)ccc1OC[C@@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747983 KK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747984 KK Annotated Bother COc1cc(C=O)ccc1OC[C@]1(c2ccc([N+](=O)[O-])cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587747985 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587748052 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587748054 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587748056 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2O)N1 ZINC000587748059 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587748087 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587748090 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587748092 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587748094 KK Annotated Bother Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748100 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748101 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748103 KK Annotated Mild Cc1ccc(NN=C(C(=O)Nc2ccccc2)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748105 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587748112 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587748114 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587748116 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2[N+](=O)[O-])N1 ZINC000587748118 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587748182 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587748183 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587748184 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1[N+](=O)[O-] ZINC000587748185 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748206 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748207 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748208 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748210 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587748264 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587748265 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=C1C=CC(=[N+](C)C)C=C1)C(O)=C2c1ccc(N(C)C)cc1 ZINC000587748266 KK Annotated Mild COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587748267 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=C1C=CC(=[N+](C)C)C=C1)C(O)=C2c1ccc(N(C)C)cc1 ZINC000587748268 KK Annotated Mild COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000587748269 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587748294 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587748295 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587748297 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c(OC)c1 ZINC000587748299 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748378 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748379 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748380 KK Annotated Bother Cc1c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748381 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748406 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748407 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748408 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748409 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587748420 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587748423 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748424 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587748425 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2oc3ccccc3c2N)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587748426 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748432 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748435 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccccc3C(=O)N3CCCC3)c([N+](=O)[O-])c2)N1 ZINC000587748438 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587748511 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587748512 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587748514 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[N+](=O)[O-])c1 ZINC000587748516 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748517 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748519 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748521 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)N1 ZINC000587748522 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748524 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748526 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748528 KK Annotated Bother Cc1ccc(C(C)C)c(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748530 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587748569 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587748571 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587748572 KK Annotated Bother COC(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])cc1 ZINC000587748573 KK Annotated Bother CCOC(=O)C1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587748690 KK Annotated Clean CCOC(=O)C1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587748693 KK Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587748694 KK Annotated Clean CCOC(=O)C1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])CC1 ZINC000587748697 KK Annotated Clean COC(=O)c1cccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748768 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748770 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748772 KK Annotated Bother COC(=O)c1cccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[N+](=O)[O-])c1 ZINC000587748774 KK Annotated Bother COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748782 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748788 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748789 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587748790 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587748795 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587748798 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587748800 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587748802 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587748847 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587748849 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587748851 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc([N+](=O)[O-])c1 ZINC000587748853 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748856 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748858 KK Annotated Bother COC(=O)c1ccc(Oc2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748860 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748861 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])c1 ZINC000587748862 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748864 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748867 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(N)c(-c5ccc(O)cc5O)cc4N=C3C=C2c2ccc(O)cc2O)N1 ZINC000587748869 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748886 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748887 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748888 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587748889 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587748906 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587748907 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587748908 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587748909 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cccc1[N+](=O)[O-] ZINC000587748994 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cccc1[N+](=O)[O-] ZINC000587748995 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cccc1[N+](=O)[O-] ZINC000587748996 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cccc1[N+](=O)[O-] ZINC000587748997 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cccc1[N+](=O)[O-] ZINC000587749002 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cccc1[N+](=O)[O-] ZINC000587749003 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cccc1[N+](=O)[O-] ZINC000587749004 KK Annotated Bother Cc1c(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cccc1[N+](=O)[O-] ZINC000587749005 KK Annotated Bother COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749030 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749031 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749032 KK Annotated Anodyne COC(=O)c1cc2c(nc1N)Oc1ccc(C(C)C)cc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587749033 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587749069 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587749071 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587749072 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000587749073 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587749107 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587749109 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587749110 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1[N+](=O)[O-] ZINC000587749111 KK Annotated Bother C/C(N[C@H](CO)Cc1ccccc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749126 KK Annotated Mild C/C(N[C@H](CO)Cc1ccccc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749133 KK Annotated Mild C/C(N[C@H](CO)Cc1ccccc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749137 KK Annotated Mild C/C(N[C@H](CO)Cc1ccccc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749141 KK Annotated Mild COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587749149 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587749150 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587749151 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000587749152 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587749198 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587749199 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587749200 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587749201 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587749202 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587749203 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587749204 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587749205 KK Annotated Reactive COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749268 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749269 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749270 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 ZINC000587749271 KK Annotated Mild C/C=C/NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587749304 KK Annotated Mild C/C=C\NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587749305 KK Annotated Mild C/C=C/NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587749306 KK Annotated Mild C/C=C\NNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587749307 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749393 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749396 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749398 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749399 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749400 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749401 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749402 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749405 KK Annotated Mild COc1cc(C(=O)Oc2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587749412 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587749414 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587749416 KK Annotated Bother COc1cc(C(=O)Oc2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1[N+](=O)[O-] ZINC000587749417 KK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749473 KK Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749474 KK Annotated Bother CNc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749475 KK Annotated Bother CNc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749477 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749490 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749491 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749492 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587749494 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587749540 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587749541 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587749542 KK Annotated Bother COC(=O)c1ccccc1Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587749543 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587749544 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587749545 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587749547 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C)cc1[N+](=O)[O-] ZINC000587749549 KK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587749586 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587749592 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587749594 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587749597 KK Annotated Anodyne CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749657 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749658 KK Annotated Mild CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749659 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749660 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749661 KK Annotated Mild CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749663 KK Annotated Mild CC(C)C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749664 KK Annotated Mild CC(C)C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587749665 KK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749677 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749682 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749686 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587749687 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587749716 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587749718 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587749719 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=C(NN)c3ccccc3C2=O)(C(c2ccccc2)c2ccccc2)N1 ZINC000587749720 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587749745 KK Annotated Bother CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749749 KK Annotated Mild CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749750 KK Annotated Mild CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749751 KK Annotated Mild CCCCCCCCCC(=O)CC(=O)N[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587749752 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587749753 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587749754 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587749755 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587749782 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587749783 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587749784 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587749785 KK Annotated Bother C/C=C\NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587750007 KK Annotated Mild C/C=C/NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587750010 KK Annotated Mild C/C=C/NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587750012 KK Annotated Mild C/C=C\NNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587750013 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587750049 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587750050 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587750051 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=NNc2cccnc2)C(=O)Nc2cccnc2)(c2ccccc2)N1 ZINC000587750053 KK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750090 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750092 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750095 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587750097 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587750103 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587750107 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587750112 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587750120 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587750125 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587750129 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587750167 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587750170 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587750173 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587750174 KK Annotated Bother CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750176 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750183 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750188 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750191 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750193 KK Annotated Mild CC(C)C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750195 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750197 KK Annotated Mild CC(C)C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750202 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750208 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750210 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750211 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)N1 ZINC000587750212 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750235 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750236 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750237 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750238 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750263 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750264 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750265 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(NOCC(=O)O)=CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587750266 KK Annotated Anodyne CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750267 KK Annotated Mild CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750268 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750269 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750270 KK Annotated Mild CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750271 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750272 KK Annotated Mild CC(C)C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750273 KK Annotated Mild CC(C)C/C(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750274 KK Annotated Mild CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750291 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750292 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750293 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750295 KK Annotated Bother C/C(N[C@H](CO)Cc1ccccc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750322 KK Annotated Mild C/C(N[C@H](CO)Cc1ccccc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750324 KK Annotated Mild C/C(N[C@H](CO)Cc1ccccc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750327 KK Annotated Mild C/C(N[C@H](CO)Cc1ccccc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587750329 KK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587750356 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587750358 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587750359 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587750361 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587750406 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587750407 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587750409 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587750410 KK Annotated Bother C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587750475 KK Annotated Mild C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587750479 KK Annotated Mild C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587750482 KK Annotated Mild C=CNNC1=C(C(=O)C(c2ccccc2)c2ccccc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587750486 KK Annotated Mild C=CNNC1=C([C@@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587750503 KK Annotated Mild C=CNNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587750507 KK Annotated Mild C=CNNC1=C([C@@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587750510 KK Annotated Mild C=CNNC1=C([C@]2(C(c3ccccc3)c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)c2ccccc21 ZINC000587750515 KK Annotated Mild CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587750534 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587750535 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587750538 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587750539 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750553 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750556 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750558 KK Annotated Bother CCCCc1oc2ccc([N+](=O)[O-])cc2c1[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750561 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587750610 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587750612 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587750615 KK Annotated Bother CC1=C(c2ccc([N+](=O)[O-])cc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587750616 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)/C2=C/CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750674 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)/C2=C\CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750677 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)/C2=C\CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750680 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)CC(=O)/C2=C/CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750683 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)/C2=C/CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750684 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)CC(=O)/C2=C\CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750687 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)/C2=C\CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750688 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)/C2=C/CNCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)N1 ZINC000587750689 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587750802 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587750804 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587750806 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 ZINC000587750808 KK Annotated Reactive Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587750811 KK Annotated Bother Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587750812 KK Annotated Bother Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587750813 KK Annotated Bother Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587750814 KK Annotated Bother CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750855 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750859 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750864 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750867 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750868 KK Annotated Mild CC(C)C/C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750871 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750876 KK Annotated Mild CC(C)C/C(NCCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587750881 KK Annotated Mild CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750901 KK Annotated Clean CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750903 KK Annotated Clean CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750906 KK Annotated Clean CC(/C=C/C(=O)NO)=C\[C@@H](C)[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587750908 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2-c2ccccc2)([C@@H](CCCN)C(=O)O)N1 ZINC000587750938 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2-c2ccccc2)([C@@H](CCCN)C(=O)O)N1 ZINC000587750941 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2-c2ccccc2)([C@H](CCCN)C(=O)O)N1 ZINC000587750944 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2-c2ccccc2)([C@H](CCCN)C(=O)O)N1 ZINC000587750947 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587750998 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751001 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751003 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751005 KK Annotated Anodyne C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751007 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751009 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751012 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751013 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751016 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751020 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751021 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751022 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751131 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751133 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751134 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751137 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751139 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751141 KK Annotated Mild C/C(NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751144 KK Annotated Mild C/C(NC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751145 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587751187 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587751190 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587751192 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587751195 KK Annotated Bother C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751198 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751202 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751204 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751205 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751229 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751231 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751234 KK Annotated Anodyne C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587751236 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587751313 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587751314 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587751315 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 ZINC000587751316 KK Annotated Anodyne C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751333 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751334 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751335 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751336 KK Annotated Mild C/C(NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751337 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751338 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751339 KK Annotated Mild C/C(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751340 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751341 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751342 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751343 KK Annotated Mild C/C(NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751344 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751345 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751346 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751347 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751348 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751349 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751350 KK Annotated Mild C/C(N[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751351 KK Annotated Mild C/C(N[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587751352 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751361 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751362 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751363 KK Annotated Mild CC(C)C/C(Nc1ccc(COC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587751364 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587751405 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587751406 KK Annotated Clean COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587751443 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587751444 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587751445 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000587751446 KK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587751491 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587751492 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587751493 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n(C)c1C ZINC000587751494 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587751589 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cccc(NC3CCCCC3)c1C(=O)c1cccc(NC3CCCCC3)c12 ZINC000587751590 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751603 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751604 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751605 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751606 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCCCC2OCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751607 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)([C@@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751608 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCCCC2OCCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751609 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)([C@H](C)NC(=O)OC(C)(C)C)N1 ZINC000587751610 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751611 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751612 KK Annotated Anodyne COC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751613 KK Annotated Mild Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751614 KK Annotated Anodyne Cc1ccc2c(c1)Oc1cccc(NC3CCCCCCC3)c1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587751615 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587751617 KK Annotated Anodyne COC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751618 KK Annotated Mild COC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751619 KK Annotated Mild COC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751620 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587751621 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587751628 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587751630 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccc(NC3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587751634 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587751641 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587751644 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587751647 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587751825 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587751829 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587751831 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C ZINC000587751832 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587751852 KK Annotated Anodyne COC1=CC=C2C(=C[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c12 ZINC000587751855 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751887 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751888 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751889 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CCC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587751890 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587751963 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587751964 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587751965 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587751966 KK Annotated Bother COC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751967 KK Annotated Mild COC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751968 KK Annotated Mild COC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751969 KK Annotated Mild COC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O ZINC000587751970 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587751991 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587751992 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587751993 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc([N+](=O)[O-])cc2)(c2ccccc2C(=O)O)N1 ZINC000587751994 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587752007 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587752008 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587752009 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587752012 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587752096 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587752109 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587752112 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587752114 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752167 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752168 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752169 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752170 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587752211 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587752212 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587752213 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587752214 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752287 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752288 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752289 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCN(Cc3ccccc3)CC2)(c2c[nH]c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752290 KK Annotated Bother COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587752297 KK Annotated Bother COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587752298 KK Annotated Bother COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587752299 KK Annotated Bother COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587752300 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752313 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752314 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752315 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752316 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752341 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752342 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752343 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1nn(C)cc1[N+](=O)[O-] ZINC000587752344 KK Annotated Bother CCCn1c(C)c([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752451 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752452 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752453 KK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587752454 KK Annotated Anodyne Cc1c([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)[n+](=O)c2ccccc2n1O ZINC000587752563 KK Annotated Anodyne Cc1c([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)[n+](=O)c2ccccc2n1O ZINC000587752567 KK Annotated Anodyne Cc1c([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)[n+](=O)c2ccccc2n1O ZINC000587752568 KK Annotated Anodyne Cc1c([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)[n+](=O)c2ccccc2n1O ZINC000587752570 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752601 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752603 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752606 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587752607 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587752614 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587752615 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587752616 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587752618 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752638 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752640 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752642 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000587752643 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@@H]3[C@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587752700 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)[C@@H]([C@@H]4CC[C@H]3O4)[C@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587752701 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)[C@@H]([C@@H]4CC[C@H]3O4)[C@@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587752702 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@@H]3[C@@H]2CCC(=O)CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587752703 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(/N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587752750 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(/N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587752756 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C(\N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587752759 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C(\N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587752760 KK Annotated Anodyne CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752775 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752776 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752777 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587752778 KK Annotated Clean COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752870 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752871 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752872 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587752873 KK Annotated Mild Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587752937 KK Annotated Bother Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587752938 KK Annotated Bother Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587752939 KK Annotated Bother Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000587752940 KK Annotated Bother CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753040 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753041 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753042 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1C ZINC000587753043 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c2cccc(C)c2)c1 ZINC000587753071 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c2cccc(C)c2)c1 ZINC000587753074 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c2cccc(C)c2)c1 ZINC000587753077 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c2cccc(C)c2)c1 ZINC000587753080 KK Annotated Anodyne C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753105 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)CCC3)([C@@H](C)n2c(C#N)nc3ccccc32)N1 ZINC000587753111 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753114 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)n2c(C#N)nc3ccccc32)N1 ZINC000587753116 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587753118 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587753124 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587753126 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587753130 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753178 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753183 KK Annotated Anodyne CCCCCn1cc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753185 KK Annotated Anodyne CCCCCn1cc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587753187 KK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753202 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587753204 KK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753205 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587753206 KK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753207 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587753208 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587753209 KK Annotated Anodyne CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587753210 KK Annotated Mild COC(=O)c1cccc2c1c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587753223 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587753226 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587753228 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C(=O)OC(C)(C)C ZINC000587753229 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753295 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753314 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753320 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587753323 KK Annotated Anodyne COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753389 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753390 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753391 KK Annotated Mild COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587753392 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587753417 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587753418 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587753419 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587753420 KK Annotated Anodyne COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753595 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753596 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@@]3(CC#N)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753597 KK Annotated Mild COC(=O)c1ccc(-n2c(C)cc([C@]3(CC#N)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 ZINC000587753598 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753626 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753629 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753632 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753635 KK Annotated Bother CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587753693 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753695 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587753696 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587753697 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587753698 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753704 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753706 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753708 KK Annotated Mild CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587753709 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587753711 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587753712 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000587753715 KK Annotated Bother CCCCCn1ccc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753865 KK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753866 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753867 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587753868 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587753887 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587753888 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587753889 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(C)c1C ZINC000587753890 KK Annotated Anodyne Cc1cc([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753895 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753896 KK Annotated Mild Cc1cc([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753897 KK Annotated Mild Cc1cc([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587753899 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587753902 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587753904 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587753907 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc([N+](=O)[O-])cc23)N1 ZINC000587753908 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587753933 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587753934 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587753936 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000587753938 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753940 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753943 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753947 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3c([N+](=O)[O-])cccc23)N1 ZINC000587753949 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587753952 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587753954 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587753957 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587753960 KK Annotated Bother Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587753993 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587753996 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587753998 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587754001 KK Annotated Clean CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754028 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754033 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754038 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@]2(/C=C/[C@]3(C)O[C@H]3[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587754041 KK Annotated Mild CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754104 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754110 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754112 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754113 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754256 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754260 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754264 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc([N+](=O)[O-])cc32)N1 ZINC000587754268 KK Annotated Bother COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587754352 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587754356 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587754360 KK Annotated Anodyne COC(=O)c1c(-c2ccc(C(C)C)cc2)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n(CCc2ccc(OC)c(OC)c2)c1C ZINC000587754364 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c2cccc(C)c2)c1 ZINC000587754493 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c2cccc(C)c2)c1 ZINC000587754495 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c2cccc(C)c2)c1 ZINC000587754496 KK Annotated Anodyne Cc1cccc(N(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c2cccc(C)c2)c1 ZINC000587754497 KK Annotated Anodyne CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754502 KK Annotated Mild CCCCCCCCCCC[C@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754503 KK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754504 KK Annotated Mild CCCCCCCCCCC[C@@]1(c2ccc3cc(N(C)C)ccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587754505 KK Annotated Mild Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754561 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754562 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754563 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587754564 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754597 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754598 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754599 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587754600 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587754607 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587754608 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587754609 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3c([N+](=O)[O-])cccc32)N1 ZINC000587754610 KK Annotated Bother Cc1c([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)[n+](=O)c2ccccc2n1O ZINC000587754631 KK Annotated Anodyne Cc1c([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)[n+](=O)c2ccccc2n1O ZINC000587754632 KK Annotated Anodyne Cc1c([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)[n+](=O)c2ccccc2n1O ZINC000587754633 KK Annotated Anodyne Cc1c([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)[n+](=O)c2ccccc2n1O ZINC000587754634 KK Annotated Anodyne CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587754643 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587754644 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587754645 KK Annotated Bother CC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587754646 KK Annotated Bother CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587754647 KK Annotated Bother CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587754648 KK Annotated Bother CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587754649 KK Annotated Bother CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCn1c([N+](=O)[O-])cnc1C ZINC000587754650 KK Annotated Bother Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587754655 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(O[C@H](C)C(=O)O)cc1 ZINC000587754656 KK Annotated Clean Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587754657 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(O[C@@H](C)C(=O)O)cc1 ZINC000587754658 KK Annotated Clean CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587754683 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587754684 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587754687 KK Annotated Mild CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C ZINC000587754690 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587754917 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587754918 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587754919 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587754920 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587754937 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587754938 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587754939 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587754940 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587754957 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587754958 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587754959 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587754960 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587754961 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587754962 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587754963 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587754964 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587755017 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587755018 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587755019 KK Annotated Anodyne COc1ccccc1OC(=O)CNC(=O)Cc1ccc([C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C ZINC000587755020 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755021 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755024 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755025 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587755026 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587755027 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587755028 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2)N1 ZINC000587755029 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755081 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755083 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755086 KK Annotated Anodyne COc1ccccc1N[C@H](NC(=O)c1ccco1)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755088 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)N1 ZINC000587755104 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)N1 ZINC000587755105 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(\N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587755127 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(\N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587755129 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C(/N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587755131 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C(/N)Cc2ccccc2)([C@H](Cc2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1 ZINC000587755134 KK Annotated Anodyne CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755173 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755174 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755175 KK Annotated Clean CC(C)Nc1ccc(NC(C)C)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587755176 KK Annotated Clean Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755181 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755182 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755183 KK Annotated Anodyne Cc1nn(Cc2cccc3ccccc23)c(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587755184 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587755209 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587755210 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587755211 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587755212 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587755233 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587755234 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587755235 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587755236 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587755265 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587755266 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587755267 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587755268 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587755336 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587755338 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587755340 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)N1 ZINC000587755342 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587755439 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587755440 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587755441 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587755442 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587755463 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587755464 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587755465 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3c3ccccc23)(c2ccc(N(C)C)cc2)N1 ZINC000587755466 KK Annotated Clean CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755538 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755543 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755544 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587755547 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587755569 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587755571 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587755572 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)N1 ZINC000587755573 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587755578 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587755579 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587755580 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587755581 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755626 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755630 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755631 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc21 ZINC000587755632 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587755641 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587755642 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587755643 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587755644 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587755665 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587755666 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587755667 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)c2cc(C=O)ccc2n3Cc2ccccc2)N1 ZINC000587755668 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755767 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755770 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755773 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587755776 KK Annotated Anodyne CCn1c(-c2ccccc2)c([C@@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755798 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755802 KK Annotated Mild CCn1c(-c2ccccc2)c([C@@]2(CC#N)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755805 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587755807 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587755938 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587755941 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587755944 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587755945 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587755957 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587755959 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587755960 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587755961 KK Annotated Anodyne C[C@H](n1c(C#N)nc2ccccc21)[C@@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756046 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)CCC3)([C@@H](C)n2c(C#N)nc3ccccc32)N1 ZINC000587756047 KK Annotated Mild C[C@H](n1c(C#N)nc2ccccc21)[C@]1(c2ccc3c(c2)CCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756048 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)CCC3)([C@@H](C)n2c(C#N)nc3ccccc32)N1 ZINC000587756049 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587756099 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587756103 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587756105 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587756107 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587756130 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587756132 KK Annotated Anodyne CCOC(=O)/C=C\c1cc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587756134 KK Annotated Anodyne CCOC(=O)/C=C/c1cc([C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1C ZINC000587756136 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587756144 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587756146 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587756148 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccc(Oc3ccc(-n4cccc4C=O)cc3)cc2)N1 ZINC000587756150 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756254 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756255 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756256 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756257 KK Annotated Clean CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756319 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756321 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756323 KK Annotated Anodyne CCCC[C@H](CC)Cn1c2ccc(C=O)cc2c2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc21 ZINC000587756326 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756337 KK Annotated Anodyne Cc1ccc([C@]2(C[C@H](C(=O)O)c3cn(C)c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756339 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756341 KK Annotated Anodyne Cc1ccc([C@]2(C[C@@H](C(=O)O)c3cn(C)c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587756343 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587756351 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587756356 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587756357 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587756359 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587756383 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587756384 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587756385 KK Annotated Anodyne COC(=O)c1cn(C(=O)OC(C)(C)C)c2nccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587756386 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756424 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756428 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756429 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587756430 KK Annotated Anodyne CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756561 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756564 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756566 KK Annotated Clean CCNc1ccc(NCC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756568 KK Annotated Clean COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756591 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756595 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756598 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587756602 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587756607 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587756627 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587756629 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587756630 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587756655 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587756657 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587756658 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(NCCc3ccc(O)cc3)ccc(NCCc3ccc(O)cc3)c12 ZINC000587756659 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587756764 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587756766 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587756769 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1cn(C)c3ccccc13)Oc1cc(OCC(=O)O)ccc12 ZINC000587756772 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587756802 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587756804 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587756807 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc23)N1 ZINC000587756808 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587756809 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587756810 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587756811 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](C(=O)O)c2cn(C)c3ccccc23)(c2ccc(C3CCCCC3)cc2)N1 ZINC000587756812 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587756839 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587756845 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587756848 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)c1 ZINC000587756850 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756884 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756885 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756886 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587756887 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587756896 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587756898 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587756900 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587756902 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587756998 KK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757001 KK Annotated Anodyne CCCn1c(C)c([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757003 KK Annotated Anodyne CCCn1c(C)c([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587757004 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757023 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757026 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757028 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757031 KK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757076 KK Annotated Anodyne CCCCCn1ccc([C@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757077 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757078 KK Annotated Anodyne CCCCCn1ccc([C@@]2(c3cccc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587757079 KK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587757100 KK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587757101 KK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587757102 KK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587757103 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587757108 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587757109 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587757110 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587757111 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587757132 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587757133 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587757134 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3c(OCc4ccccc4)cccc23)N1 ZINC000587757135 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587757288 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587757290 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587757293 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccc(C=O)cc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587757295 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)N1 ZINC000587757356 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(N(Cc3ccccc3)Cc3ccccc3)CC2)N1 ZINC000587757358 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587757426 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587757428 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587757432 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587757433 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC(C)(C)C)N1 ZINC000587757593 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC(C)(C)C)N1 ZINC000587757595 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC(C)(C)C)N1 ZINC000587757598 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC(C)(C)C)N1 ZINC000587757600 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587757602 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587757608 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587757609 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587757610 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587757624 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587757625 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587757626 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587757627 KK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587757635 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587757637 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587757638 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587757640 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587757650 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587757653 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587757656 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587757660 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757853 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757866 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757871 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587757876 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587757913 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587757915 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587757917 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)N1 ZINC000587757918 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757961 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757962 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757964 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587757966 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587758053 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587758054 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587758055 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCCc3ccccc32)(c2cn(C)c3ccccc23)N1 ZINC000587758056 KK Annotated Anodyne CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758074 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758077 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758081 KK Annotated Clean CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758084 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587758088 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587758091 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587758094 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(c3ccccc3)c3ccc(C=O)cc3)cc2)N1 ZINC000587758096 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587758112 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587758113 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4n3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587758114 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4n3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587758115 KK Annotated Anodyne COC(=O)c1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2Cc1cccc(C#N)c1 ZINC000587758152 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2Cc1cccc(C#N)c1 ZINC000587758153 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2Cc1cccc(C#N)c1 ZINC000587758154 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2Cc1cccc(C#N)c1 ZINC000587758155 KK Annotated Mild CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758160 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758161 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758162 KK Annotated Anodyne CCn1nc(C)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587758163 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1 ZINC000587758204 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1 ZINC000587758205 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1 ZINC000587758206 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1 ZINC000587758207 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758228 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758233 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758236 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758238 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758256 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758263 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758265 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587758268 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587758293 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587758294 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587758296 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587758298 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587758312 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587758323 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587758330 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587758337 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587758414 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587758416 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587758417 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)N1 ZINC000587758419 KK Annotated Anodyne CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758487 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758490 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758491 KK Annotated Clean CCCCNc1ccc(NCCCC)c2c1C(=O)c1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587758494 KK Annotated Clean COc1ccccc1OCCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758507 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758510 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758513 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587758515 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@@H]2C(=O)C=C[C@@]3(C)[C@H]2[C@@H]2CC[C@H]3O2)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587758537 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@@H]2C(=O)C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@H]23)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587758539 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H]2C(=O)C=C[C@]3(C)[C@H]4CC[C@H](O4)[C@H]23)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587758542 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC[C@H]2C(=O)C=C[C@@]3(C)[C@H]2[C@@H]2CC[C@H]3O2)(CNc2c(O)ccc(C(=O)O)c2O)N1 ZINC000587758545 KK Annotated Mild Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587758615 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587758617 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587758619 KK Annotated Anodyne Cc1ccc(N(c2ccc(C)cc2)c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587758621 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2cc1C ZINC000587758636 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2cc1C ZINC000587758637 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2cc1C ZINC000587758638 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2cc1C ZINC000587758639 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758644 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758645 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758646 KK Annotated Anodyne Cc1cc(C)cc(OCCn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)c1 ZINC000587758647 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587758660 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587758661 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587758662 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccon2)N1 ZINC000587758663 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758686 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758687 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758688 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(CN3C(=O)c4ccccc4C3=O)c2)(c2ccccn2)N1 ZINC000587758689 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587758733 KK Annotated Mild Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758748 KK Annotated Anodyne Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758752 KK Annotated Anodyne Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758754 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587758755 KK Annotated Mild Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587758756 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587758757 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587758762 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587758801 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587758805 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587758811 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)N1 ZINC000587758815 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587758858 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587758863 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587758868 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccc(N(c3ccccc3)c3ccccc3)cc1C(=O)c1ccc(N(c3ccccc3)c3ccccc3)cc12 ZINC000587758873 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2cc1C ZINC000587758939 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2cc1C ZINC000587758948 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2cc1C ZINC000587758955 KK Annotated Anodyne Cc1cc2nc(NCCCO)n(C[C@@]3(c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2cc1C ZINC000587758959 KK Annotated Anodyne COC(=O)c1ccc2c(c1)c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2Cc1cccc(C#N)c1 ZINC000587758964 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2Cc1cccc(C#N)c1 ZINC000587758968 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2Cc1cccc(C#N)c1 ZINC000587758971 KK Annotated Mild COC(=O)c1ccc2c(c1)c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2Cc1cccc(C#N)c1 ZINC000587758973 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587758997 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587759000 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587759004 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)c2ccc(COC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cc2)(c2ccccc2)N1 ZINC000587759006 KK Annotated Anodyne CCn1c(-c2ccccc2)c([C@@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587759009 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587759011 KK Annotated Mild CCn1c(-c2ccccc2)c([C@@]2(CC#N)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587759013 KK Annotated Mild CCn1c(-c2ccccc2)c([C@]2(CC#N)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587759017 KK Annotated Mild CCOc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2-c2ccccc2)cc1 ZINC000587759032 KK Annotated Anodyne CCOc1ccc(Oc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2-c2ccccc2)cc1 ZINC000587759034 KK Annotated Anodyne CCOc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2-c2ccccc2)cc1 ZINC000587759036 KK Annotated Anodyne CCOc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2-c2ccccc2)cc1 ZINC000587759039 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759217 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759220 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759222 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nncn1-c1ccccc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587759225 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587759366 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587759367 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587759368 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587759369 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759431 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759432 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759433 KK Annotated Anodyne Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@]2(CCC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587759434 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587759435 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587759436 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587759438 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cc(OCc4ccccc4)ccc23)N1 ZINC000587759440 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587759540 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587759541 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587759542 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587759543 KK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587759967 KK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587759968 KK Annotated Anodyne Cc1ccc(Oc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587759969 KK Annotated Anodyne Cc1ccc(Oc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587759970 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587760033 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587760035 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587760037 KK Annotated Anodyne COC(=O)c1cccc2c1c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C(=O)OC(C)(C)C ZINC000587760039 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760071 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760074 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760076 KK Annotated Anodyne COc1ccccc1OCCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760079 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc23)N1 ZINC000587760142 KK Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760143 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760144 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760145 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C2)N1 ZINC000587760166 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C2)N1 ZINC000587760167 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C2)N1 ZINC000587760168 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H]3C(=O)O)C2)N1 ZINC000587760169 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587760222 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587760223 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587760224 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587760225 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587760372 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587760375 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587760378 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1nn(Cc3ccon3)c3cccc2c13 ZINC000587760381 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587760414 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587760415 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587760416 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)N1 ZINC000587760417 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(C[C@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587760446 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(C[C@@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587760447 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(C[C@@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587760448 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(C[C@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587760449 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587760502 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587760503 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587760504 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(C(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587760505 KK Annotated Mild CCCCCn1cc([C@]2(Cc3ccccc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760593 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760594 KK Annotated Anodyne CCCCCn1cc([C@@]2(Cc3ccccc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760595 KK Annotated Anodyne CCCCCn1cc([C@]2(Cc3ccccc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587760596 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587760597 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587760598 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587760599 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nc3ccccc3n2Cc2ccccc2)N1 ZINC000587760600 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587760614 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587760615 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587760616 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C(=O)OC(C)(C)C)c3cccc(OCc4ccccc4)c23)N1 ZINC000587760617 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761023 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761024 KK Annotated Anodyne COc1ccc([C@]2([C@H]3CCCN3C(=O)OC(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761025 KK Annotated Anodyne COc1ccc([C@]2([C@@H]3CCCN3C(=O)OC(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761026 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@@H]3C2)N1 ZINC000587761231 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@@H]3C2)N1 ZINC000587761232 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)[C@H]3C2)N1 ZINC000587761234 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)[C@H]3C2)N1 ZINC000587761236 KK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587761338 KK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587761340 KK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587761341 KK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587761343 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761365 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761372 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761373 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587761374 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587761387 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587761388 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587761389 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)ccc2c1 ZINC000587761390 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc3ccccc23)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587761521 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc3ccccc23)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587761522 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc3ccccc23)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587761523 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc3ccccc23)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587761524 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587761687 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587761688 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587761689 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587761690 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761691 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761692 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761693 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587761694 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(C[C@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587761874 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(C[C@@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587761876 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(C[C@@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587761877 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(C[C@H]3CCCCN3C)c3ccccc23)(C23CC4CC(CC(C4)C2)C3)N1 ZINC000587761878 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587761903 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587761904 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587761905 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3c4c(cccc24)C(=O)N(N)C3=O)N1 ZINC000587761907 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587762095 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587762098 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587762100 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587762102 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587762142 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587762144 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587762146 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587762149 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762209 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762212 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762213 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587762214 KK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587762248 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000587762249 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587762250 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000587762251 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H](C(=O)O)N(C(=O)OCC4c5ccccc5-c5ccccc54)C[C@@H]3C2)N1 ZINC000587762252 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C2)N1 ZINC000587762253 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H]3C(=O)O)C2)N1 ZINC000587762254 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@@H](CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H]3C(=O)O)C2)N1 ZINC000587762255 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762524 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCC[C@@H](C[C@H](O)c3ccccc3)N2C)N1 ZINC000587762527 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762528 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCC[C@H](C[C@H](O)c3ccccc3)N2C)N1 ZINC000587762529 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762530 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCC[C@H](C[C@@H](O)c3ccccc3)N2C)N1 ZINC000587762531 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587762532 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCC[C@@H](C[C@@H](O)c3ccccc3)N2C)N1 ZINC000587762533 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762594 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762595 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762596 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 ZINC000587762597 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc3ccccc23)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587762746 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc3ccccc23)(c2cn(C[C@@H]3CCCCN3C)c3ccccc23)N1 ZINC000587762747 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc3ccccc23)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587762748 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc3ccccc23)(c2cn(C[C@H]3CCCCN3C)c3ccccc23)N1 ZINC000587762749 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587762865 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587762869 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587762872 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587762874 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587762887 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587762888 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587762890 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2cccc(CN3C(=O)c4ccccc4C3=O)c2)N1 ZINC000587762892 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(CC(=O)N3[C@H](C)CCC[C@H]3C)c3ccccc23)N1 ZINC000587762956 KK Annotated Anodyne C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587762957 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587762958 KK Annotated Anodyne C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587762959 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)N1 ZINC000587763012 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)N1 ZINC000587763013 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)N1 ZINC000587763014 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)N1 ZINC000587763015 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763036 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763037 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763038 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763039 KK Annotated Anodyne Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587763080 KK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587763081 KK Annotated Anodyne Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587763082 KK Annotated Anodyne Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)nn1-c1ccccc1C(=O)OC(C)(C)C ZINC000587763083 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587763104 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587763105 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587763106 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587763107 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCC[C@H](C[C@H](O)c3ccccc3)N2C)N1 ZINC000587763152 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCC[C@H](C[C@@H](O)c3ccccc3)N2C)N1 ZINC000587763153 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCC[C@@H](C[C@@H](O)c3ccccc3)N2C)N1 ZINC000587763154 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCC[C@@H](C[C@H](O)c3ccccc3)N2C)N1 ZINC000587763155 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC(C)(C)C)N1 ZINC000587763178 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC(C)(C)C)N1 ZINC000587763179 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@@H]2CC(=O)OC(C)(C)C)N1 ZINC000587763180 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)C[C@H]2CC(=O)OC(C)(C)C)N1 ZINC000587763181 KK Annotated Anodyne Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000587763190 KK Annotated Clean Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)N1CCCC[C@H]1C ZINC000587763191 KK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)N1CCCC[C@@H]1C ZINC000587763192 KK Annotated Clean Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(=O)N1CCCC[C@H]1C ZINC000587763193 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)N1 ZINC000587763218 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)N1 ZINC000587763219 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)[C@@H](Cc3ccccc3)C2)N1 ZINC000587763220 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)[C@H](Cc3ccccc3)C2)N1 ZINC000587763221 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763268 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763269 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763270 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763271 KK Annotated Clean COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1 ZINC000587763346 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1 ZINC000587763347 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1 ZINC000587763348 KK Annotated Anodyne COC1CC(C)(C)N(CCOC(=O)CC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1 ZINC000587763349 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587763494 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587763496 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587763499 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587763501 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763502 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763507 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763510 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587763512 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763576 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763577 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763578 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763579 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763616 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763617 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763618 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763619 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763700 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763701 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763702 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587763703 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763704 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763705 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763706 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587763707 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763756 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763757 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763758 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cnn(-c3cccc(C(=O)O)c3)c2)(c2ccccc2O)N1 ZINC000587763759 KK Annotated Clean Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763764 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763765 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763766 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587763767 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763772 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763773 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763774 KK Annotated Anodyne CCc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587763775 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587763808 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587763809 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587763810 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCCCC1 ZINC000587763811 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763844 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763846 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763848 KK Annotated Anodyne COc1cccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587763850 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763852 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763854 KK Annotated Anodyne Cc1ccc(Cn2cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763856 KK Annotated Anodyne Cc1ccc(Cn2cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccc(C)cc3)n2)cc1 ZINC000587763858 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587763870 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587763873 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587763875 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3nn(-c4ccccc4)cc3C=O)cc2)N1 ZINC000587763876 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763937 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763942 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763944 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587763946 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763966 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763968 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763970 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763971 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587763972 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763973 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763975 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)N1 ZINC000587763977 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764010 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764011 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764012 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764013 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764042 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764043 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764044 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587764045 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587764066 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587764067 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587764068 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587764069 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764074 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764075 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764076 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587764077 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587764090 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587764091 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587764092 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587764093 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587764140 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587764141 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587764142 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587764143 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587764164 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587764165 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587764166 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cnn(-c3ccccc3)c2N)(c2c[nH]c3ccccc23)N1 ZINC000587764167 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764168 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764169 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764170 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764171 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587764197 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587764201 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587764203 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587764205 KK Annotated Reactive COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587764382 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587764391 KK Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587764393 KK Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587764395 KK Annotated Clean COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587764423 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587764425 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587764427 KK Annotated Anodyne COc1ccc2cc(-c3nn(-c4ccccc4)cc3[C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)ccc2c1 ZINC000587764428 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587764451 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587764456 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587764458 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764459 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587764460 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764461 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764463 KK Annotated Anodyne CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587764466 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587764504 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587764505 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587764506 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1 ZINC000587764507 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764559 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764562 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764564 KK Annotated Anodyne Cc1cc2c(cc1C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587764566 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587764614 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587764618 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587764620 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587764622 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764652 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764654 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764655 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764656 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764657 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587764658 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764659 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587764661 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587764674 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587764679 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587764680 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587764682 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587764749 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587764750 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587764751 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587764752 KK Annotated Anodyne COc1cc(/C=C/[C@@]2(c3ccc4ccccc4c3O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764903 KK Annotated Clean COc1cc(/C=C/[C@@]2(c3ccc4ccccc4c3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764906 KK Annotated Clean COc1cc(/C=C/[C@]2(c3ccc4ccccc4c3O)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764909 KK Annotated Clean COc1cc(/C=C/[C@]2(c3ccc4ccccc4c3O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 ZINC000587764911 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587764928 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587764931 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587764933 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587764935 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587765012 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587765017 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587765018 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587765019 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587765169 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587765171 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587765174 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587765176 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587765181 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587765182 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587765184 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCc2ccccc21 ZINC000587765185 KK Annotated Anodyne Cc1c(Nc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765238 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765239 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765242 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587765243 KK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765244 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765245 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587765246 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587765247 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587765248 KK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765249 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1CCCCC1 ZINC000587765251 KK Annotated Anodyne Cc1c(Nc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765256 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587765346 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587765348 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587765351 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587765353 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587765356 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587765369 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587765371 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587765375 KK Annotated Clean COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C\C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765440 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C\C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765443 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765445 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765446 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765484 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)/C(=C\C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765485 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C/C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765486 KK Annotated Anodyne COc1cc2c(cc1OC)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)/C(=C\C1CCN(Cc3ccccc3)CC1)C2 ZINC000587765487 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587765520 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587765521 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587765522 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587765523 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765526 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765527 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765528 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765529 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765532 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765533 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765534 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765535 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587765568 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587765569 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587765570 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCN(c3ccccc3)CC2)(c2cn(C)c3ccccc23)N1 ZINC000587765571 KK Annotated Anodyne COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587765572 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587765573 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587765574 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587765575 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765580 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765581 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765582 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)c(C#N)c2)N1 ZINC000587765583 KK Annotated Mild Cc1c(Nc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765620 KK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765621 KK Annotated Anodyne Cc1c(Nc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765623 KK Annotated Anodyne Cc1c(Nc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587765625 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587765660 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587765661 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587765662 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587765663 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587765692 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587765693 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587765694 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587765695 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587765740 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587765741 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587765742 KK Annotated Anodyne COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587765746 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587765836 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587765839 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587765841 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587765843 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765895 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765897 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765898 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587765899 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587765932 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587765933 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587765934 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587765935 KK Annotated Anodyne COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587765988 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587765989 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@]3(CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587765990 KK Annotated Mild COc1ccc(CN2CC3(CCN(OC(=O)C(C)(C)C)CC3)[C@@]3(CC2=O)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587765991 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587766081 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587766082 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587766083 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587766084 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587766115 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587766116 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587766117 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCC2OCCO2)([C@H]2CCCN2C(=O)OC(C)(C)C)N1 ZINC000587766118 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587766201 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587766203 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587766206 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 ZINC000587766209 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766229 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766234 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766239 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766244 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587766273 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587766278 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587766281 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587766282 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587766283 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587766284 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587766285 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587766287 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766294 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766297 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766300 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587766302 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587766316 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587766319 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587766323 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)N1 ZINC000587766326 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587766331 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587766333 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587766334 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587766337 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587766401 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587766405 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766408 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766425 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766435 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587766445 KK Annotated Anodyne C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587766483 KK Annotated Mild C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587766484 KK Annotated Mild C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587766485 KK Annotated Mild C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587766487 KK Annotated Mild CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766506 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766509 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766511 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766513 KK Annotated Anodyne COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766550 KK Annotated Clean COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766551 KK Annotated Clean COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766552 KK Annotated Clean COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587766554 KK Annotated Clean CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1)c1ccccc1 ZINC000587766556 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1)c1ccccc1 ZINC000587766559 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1)c1ccccc1 ZINC000587766561 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1)c1ccccc1 ZINC000587766562 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766577 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766585 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766588 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766589 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766661 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766663 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766665 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587766666 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587766827 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587766828 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587766829 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587766830 KK Annotated Anodyne CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587766831 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587766833 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587766836 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587766839 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587766842 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587766845 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587766849 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587766853 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766860 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766861 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766862 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)O)cc2)c2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587766864 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587766939 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587766940 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587766941 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587766942 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766959 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766960 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccc3ccccc3c1O[C@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766961 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccc3ccccc3c1O[C@@H]2c1ccc(N2CCCC2)c(O)c1 ZINC000587766962 KK Annotated Anodyne COc1cc(/C=C/[C@]2(c3ccc4ccccc4c3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587767018 KK Annotated Clean COc1cc(/C=C/[C@]2(c3ccc4ccccc4c3O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587767019 KK Annotated Clean COc1cc(/C=C/[C@@]2(c3ccc4ccccc4c3O)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587767022 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587767023 KK Annotated Anodyne COc1cc(/C=C/[C@@]2(c3ccc4ccccc4c3O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 ZINC000587767025 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587767026 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587767029 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587767031 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767039 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767042 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767044 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767047 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587767048 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587767052 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587767056 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(N3CCCC3)c(O)c2)(c2ccc3ccccc3c2O)N1 ZINC000587767058 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587767106 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587767108 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587767110 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(C(=O)O)cc32)N1 ZINC000587767112 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587767114 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587767121 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587767123 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587767124 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767143 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767145 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767146 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767149 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587767186 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587767190 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587767193 KK Annotated Anodyne Cc1cc2c(cc1C)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(N3CCCC3)c(O)c1)O2 ZINC000587767197 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767218 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767227 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767234 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587767243 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587767263 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587767265 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587767268 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)N1 ZINC000587767272 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767405 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587767409 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587767410 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587767411 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(C(c1ccccc1)c1ccccc1)c1ccccc12 ZINC000587767412 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767415 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767417 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767418 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587767425 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587767426 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587767429 KK Annotated Anodyne Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587767432 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587767523 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587767524 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587767525 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587767526 KK Annotated Anodyne C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1/C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767551 KK Annotated Mild C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1\C(=O)CC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767552 KK Annotated Mild C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1/C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767553 KK Annotated Mild C/C(NCCN1CCN(C(=O)OC(C)(C)C)CC1)=C1\C(=O)CC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587767554 KK Annotated Mild Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587767559 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587767560 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587767561 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587767562 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767885 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767889 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767894 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)N1 ZINC000587767896 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587767899 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587767903 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587767909 KK Annotated Anodyne COc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587767913 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767919 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767922 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767926 KK Annotated Anodyne COc1ccccc1-c1nn(Cc2ccccc2)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587767929 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767930 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767933 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767937 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587767941 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587768055 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587768059 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587768062 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](c1ccc(N3CCCC3)c(O)c1)Oc1c2ccc2ccccc12 ZINC000587768065 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768092 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768094 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768096 KK Annotated Anodyne CCc1ccc(-c2nn(-c3ccccc3C)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587768097 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587768162 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587768163 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587768164 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)CC1 ZINC000587768165 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587768176 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587768177 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587768178 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587768179 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587768254 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587768256 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587768259 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)c3ccccc32)N1 ZINC000587768262 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587768288 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587768291 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587768293 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2N2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587768294 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587768335 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587768337 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587768339 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)c(C#N)c2)N1 ZINC000587768340 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768355 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768358 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768360 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768365 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768415 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768419 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768422 KK Annotated Anodyne Cc1[nH]c2ccccc2c1[C@]1(C(=O)N2CCN(c3ccccc3)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587768427 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587768460 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587768464 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587768467 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1N1CCCC1 ZINC000587768469 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587768709 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587768719 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587768722 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587768726 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768766 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768769 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587768770 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768771 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(C(=O)OC(C)(C)C)CC3)Oc3ccccc32)N1 ZINC000587768772 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587768777 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587768779 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587768781 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587768784 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587768786 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587768787 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C(=O)OC(C)(C)C)CC[C@H]2c2ccccc2)N1 ZINC000587768788 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587768789 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccccc2)N1 ZINC000587768790 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587768791 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)N1 ZINC000587768792 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587769014 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587769015 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587769017 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)N1 ZINC000587769018 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587769023 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587769027 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587769029 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587769030 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769040 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769041 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769042 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 ZINC000587769043 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587769044 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587769045 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587769046 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587769047 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587769152 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587769153 KK Annotated Anodyne Cc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587769154 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@]1(O)CCN(c3ccccc3)C1=N2 ZINC000587769155 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1)c1ccccc1 ZINC000587769160 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1)c1ccccc1 ZINC000587769161 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1)c1ccccc1 ZINC000587769162 KK Annotated Anodyne CCO[C@H](CN1CCN(C[C@H](C)[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1)c1ccccc1 ZINC000587769163 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@@H]3C2)N1 ZINC000587769181 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@H]3C2)N1 ZINC000587769206 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC2)N1 ZINC000587769209 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@@H]3C2)N1 ZINC000587769211 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC2)N1 ZINC000587769212 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@H]3C2)N1 ZINC000587769217 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587769261 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587769262 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587769264 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587769266 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769267 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769271 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769272 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769273 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587769291 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)N1 ZINC000587769294 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769325 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769326 KK Annotated Anodyne CCOC(=O)C[C@@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769328 KK Annotated Anodyne CCOC(=O)C[C@]1(C2CCN(C(=O)OCc3ccccc3)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769330 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587769380 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587769384 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587769388 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(Cc1cccc3ccccc13)c1ccccc12 ZINC000587769393 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587769612 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587769613 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587769614 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1N1CCCC1 ZINC000587769615 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769732 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769733 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769734 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587769735 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587769807 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587769809 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587769810 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)(c2ccc(C(C)(C)C(=O)O)cc2)N1 ZINC000587769812 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769848 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769853 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769857 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587769864 KK Annotated Mild CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769890 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769895 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769900 KK Annotated Anodyne CC(=O)Nc1ccc2c(c1)[C@@]1(CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769906 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769911 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769914 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769918 KK Annotated Anodyne COc1ccc2c(c1)C1(CCN(C(=O)OC(C)(C)C)CC1)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587769924 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587769944 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587769948 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587769954 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1N1CCCC1 ZINC000587769958 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587769980 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587769985 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587769989 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(ccc4ccccc34)C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1N1CCCC1 ZINC000587769994 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587769997 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587769999 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587770002 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC21CCN(C(=O)OC(C)(C)C)CC1 ZINC000587770006 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(Cc4ccccc4)CC3)Oc3ccccc32)N1 ZINC000587770027 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCN(Cc4ccccc4)CC3)Oc3ccccc32)N1 ZINC000587770032 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(Cc4ccccc4)CC3)Oc3ccccc32)N1 ZINC000587770038 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCN(Cc4ccccc4)CC3)Oc3ccccc32)N1 ZINC000587770042 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770119 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770120 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770121 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587770123 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587770147 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587770149 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587770150 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587770152 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770257 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770258 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770259 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 ZINC000587770260 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770292 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770295 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770296 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)cc2)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587770298 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587770509 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587770517 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587770521 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587770524 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587770727 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587770728 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587770729 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)(c2ccccc2)N1 ZINC000587770730 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587770825 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587770826 KK Annotated Anodyne Cc1c(Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587770827 KK Annotated Anodyne Cc1c(Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c(=O)n(-c2ccccc2)n1C ZINC000587770828 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771066 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771069 KK Annotated Anodyne C=CN1CC[C@H]([C@@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771072 KK Annotated Anodyne C=CN1CC[C@H]([C@]2(c3cc(-c4ccccc4)nc4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587771076 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771161 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771170 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771177 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587771181 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771210 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771224 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771230 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771236 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587771590 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587771592 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587771594 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)c1cc3c(=O)c4ccccc4n(C)c3cc12 ZINC000587771595 KK Annotated Bother CCOC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587771715 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587771717 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587771720 KK Annotated Anodyne CCOC1CCN(C(=O)Nc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)CC1 ZINC000587771722 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587771775 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587771777 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587771779 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)c2)N1 ZINC000587771781 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CN(Cc3ccccc3)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771893 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CN(Cc3ccccc3)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587771899 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587771935 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587771938 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587771940 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587771942 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587771965 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587771966 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587771968 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587771969 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772037 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772042 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772046 KK Annotated Anodyne COc1ccc2c(c1)N(Cc1ccccc1)C=C(C(=O)O)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587772051 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772119 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772120 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772121 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccccc2)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587772122 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC2)N1 ZINC000587772280 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)CC2)N1 ZINC000587772281 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CN(Cc3ccccc3)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772414 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CN(Cc3ccccc3)C[C@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772418 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772487 KK Annotated Clean CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772490 KK Annotated Clean CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772494 KK Annotated Clean CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587772498 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772555 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772557 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772560 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H](NC(=O)OCc3ccccc3)C[C@@H]2CN(C(=O)OC(C)(C)C)C1 ZINC000587772562 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587772585 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587772589 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587772594 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587772598 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587772601 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C2)N1 ZINC000587772606 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587772610 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C(=O)OCC3c4ccccc4-c4ccccc43)[C@@H](C(=O)O)C2)N1 ZINC000587772615 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587772733 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587772734 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587772735 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587772736 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587773118 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587773120 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587773124 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587773128 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773188 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773192 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773196 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773201 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587773263 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587773270 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587773273 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 ZINC000587773276 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773310 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773312 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773315 KK Annotated Anodyne CCN1C(=O)[C@](O)(C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 ZINC000587773320 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587773528 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587773529 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587773530 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CN(Cc3ccccc3)CCN2C(=O)OC(C)(C)C)N1 ZINC000587773531 KK Annotated Anodyne CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773597 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773599 KK Annotated Mild CCCCCCCCCCCCCC#C[C@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773601 KK Annotated Mild CCCCCCCCCCCCCC#C[C@@]1([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587773604 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773678 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773681 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773684 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(N3CCOCC3)c3cccc2c13 ZINC000587773689 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587773999 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587774005 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587774007 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587774010 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587774095 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587774107 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587774109 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587774112 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587774132 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587774136 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587774138 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587774141 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774179 KK Annotated Clean COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587774356 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587774357 KK Annotated Anodyne COc1ccc([C@@]2(c3nccc4cc(OC)c(OC)cc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587774358 KK Annotated Anodyne COc1ccc([C@]2(c3nccc4cc(OC)c(OC)cc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587774359 KK Annotated Anodyne CC[C@](Cc1ccccc1)(N(C)C)[C@@]1(c2ccc(N3CCOCC3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774415 KK Annotated Clean CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774416 KK Annotated Clean CC[C@](Cc1ccccc1)(N(C)C)[C@]1(c2ccc(N3CCOCC3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587774417 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587774436 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587774437 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587774438 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587774439 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@@H]3C2)N1 ZINC000587774535 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@H](C(=O)O)C[C@H]3C2)N1 ZINC000587774540 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@H]3C2)N1 ZINC000587774545 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3CN(C(=O)OCC4c5ccccc5-c5ccccc54)[C@@H](C(=O)O)C[C@@H]3C2)N1 ZINC000587774546 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587774661 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587774662 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587774663 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587774664 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587774836 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587774837 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587774838 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587774839 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587775222 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587775224 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587775227 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c(=O)n(C3CCCCC3)c2)(c2ccccc2O)N1 ZINC000587775229 KK Annotated Mild COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2cc1OC ZINC000587775673 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)N[C@H](C)Cc4cc(Br)c(F)cc43)c2cc1OC ZINC000587775674 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)N[C@H](C)Cc4cc(Br)c(F)cc43)c2cc1OC ZINC000587775675 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2cc1OC ZINC000587775676 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587775781 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587775782 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587775783 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(CCC1)N(C)c1ccc(Oc3ccccc3)cc12 ZINC000587775784 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587776013 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587776014 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@]43N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587776015 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cccc4c3-c3ccccc3[C@@]43N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587776016 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776153 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776154 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776156 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776157 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587776275 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587776276 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587776277 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cn(CCN3CCOCC3)c3ccccc23)(C2C(C)(C)C2(C)C)N1 ZINC000587776278 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776408 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776409 KK Annotated Anodyne CCOC(=O)[C@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776410 KK Annotated Anodyne CCOC(=O)[C@@]1(c2c(-c3ccc(C)cc3)nc3ccccn23)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587776411 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2cc1OC ZINC000587776516 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@@]3(c4ccc(OC)c5ccccc45)N[C@H](C)Cc4ccc(F)c(Br)c43)c2cc1OC ZINC000587776517 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)N[C@H](C)Cc4ccc(F)c(Br)c43)c2cc1OC ZINC000587776518 KK Annotated Anodyne COc1cc2c(C(=O)O)cnc([C@]3(c4ccc(OC)c5ccccc45)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2cc1OC ZINC000587776519 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587776556 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587776559 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587776562 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@]3(CCN(C(=O)OC(C)(C)C)C3)Oc3ccccc32)N1 ZINC000587776565 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587776578 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587776581 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587776584 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(N3CCOCC3)Oc3c(-c4ccccc4)cccc32)N1 ZINC000587776586 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776830 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776831 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776833 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C#N)c3nc4ccccc4n3c2)(c2ccccc2O)N1 ZINC000587776834 KK Annotated Mild CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(N[C@@H](C)Cc2cc(Br)c(F)cc21)c1cc(O)ccc1-3 ZINC000587776876 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(N[C@H](C)Cc2cc(Br)c(F)cc21)c1cc(O)ccc1-3 ZINC000587776887 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(N[C@H](C)Cc2cc(Br)c(F)cc21)c1cc(O)ccc1-3 ZINC000587776894 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(N[C@@H](C)Cc2cc(Br)c(F)cc21)c1cc(O)ccc1-3 ZINC000587776898 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777022 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777023 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777024 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)COC32CN(C(=O)OC(C)(C)C)C2)N1 ZINC000587777025 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587777161 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587777164 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC(C)(C)C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587777166 KK Annotated Anodyne CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC(C)(C)C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587777169 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587777269 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587777271 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587777273 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)N3Cc2ccccc2)N1 ZINC000587777274 KK Annotated Anodyne CCOC(=O)Cc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587777329 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587777439 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587777440 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587777441 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587777442 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(N[C@@H](C)Cc2ccc(F)c(Br)c21)c1cc(O)ccc1-3 ZINC000587777443 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(N[C@H](C)Cc2ccc(F)c(Br)c21)c1cc(O)ccc1-3 ZINC000587777444 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@]1(N[C@H](C)Cc2ccc(F)c(Br)c21)c1cc(O)ccc1-3 ZINC000587777445 KK Annotated Anodyne CCN(CC)CCNc1ccc2ncn3c2c1[C@@]1(N[C@@H](C)Cc2ccc(F)c(Br)c21)c1cc(O)ccc1-3 ZINC000587777447 KK Annotated Anodyne CCOC(=O)Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587777554 KK Annotated Clean CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587777788 KK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587777841 KK Annotated Clean CCCOc1cccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587777889 KK Annotated Clean CCOCCOCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587777902 KK Annotated Clean CCOc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1C ZINC000587778029 KK Annotated Clean CCOc1ccc(OCC)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587778032 KK Annotated Bother CCOc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)ccc1C ZINC000587778092 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778468 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778471 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778472 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587778473 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc2cccnc12 ZINC000587778597 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc2cccnc12 ZINC000587778598 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc2cccnc12 ZINC000587778599 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cccc2cccnc12 ZINC000587778600 KK Annotated Anodyne CCOc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)ccc1C ZINC000587778697 KK Annotated Bother CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778773 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778775 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778776 KK Annotated Anodyne CCOC(=O)c1c(O)nc2cccc3c2c1-c1ccccc1[C@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587778780 KK Annotated Anodyne CCCOc1cccc(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587778787 KK Annotated Bother CCOc1ccc(OCC)c(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587778811 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587778927 KK Annotated Anodyne CCOCCOCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587778928 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587778931 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587778938 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587778939 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587778941 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587778944 KK Annotated Anodyne CCCOc1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587778971 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587778981 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587778982 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587779036 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 ZINC000587779039 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587779047 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587779048 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587779049 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587779050 KK Annotated Anodyne CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1 ZINC000587779079 KK Annotated Anodyne CCOc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)ccc1C ZINC000587779268 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587779374 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(Cc1ccncc1)(Cc1ccncc1)c1ccccc12 ZINC000587779375 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587779485 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587779486 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587779487 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1nc3ccccc3c(O)c1C(=O)c1[nH]c3ccccc3c(=O)c12 ZINC000587779488 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1OC ZINC000587779489 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1OC ZINC000587779490 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1OC ZINC000587779491 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c(=O)c2cc1OC ZINC000587779492 KK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c1 ZINC000587779539 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc2cccnc12 ZINC000587779545 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc2cccnc12 ZINC000587779546 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc2cccnc12 ZINC000587779548 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cccc2cccnc12 ZINC000587779549 KK Annotated Anodyne CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587779712 KK Annotated Clean CCOc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587779727 KK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587779871 KK Annotated Clean CCOc1ccccc1OCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587779872 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779965 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779966 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779967 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779968 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779969 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779970 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779971 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2nc3ccccc3o2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587779973 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1OC ZINC000587780099 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1OC ZINC000587780100 KK Annotated Anodyne COc1cc2[nH]cc([C@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1OC ZINC000587780101 KK Annotated Anodyne COc1cc2[nH]cc([C@@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c(=O)c2cc1OC ZINC000587780102 KK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)c1 ZINC000587780103 KK Annotated Clean CCOc1ccccc1OCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587780175 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587780257 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587780258 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587780259 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn3c4c(cccc24)CN(C(=O)OC(C)(C)C)CC3)N1 ZINC000587780260 KK Annotated Anodyne CCOc1ccccc1-c1cccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587780509 KK Annotated Bother COc1cccc(OCc2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)c1 ZINC000587780582 KK Annotated Bother CCOc1ccccc1OCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587780596 KK Annotated Bother O=C(O)c1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587780631 KK Annotated Bother O=C(O)c1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587780632 KK Annotated Bother CCOc1ccccc1-c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 ZINC000587780718 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COC/C=C/c4ccccc4)[nH]c3cc21 ZINC000587780781 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COC/C=C\c4ccccc4)[nH]c3cc21 ZINC000587780782 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COC/C=C/c4ccccc4)[nH]c3cc21 ZINC000587780853 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COC/C=C\c4ccccc4)[nH]c3cc21 ZINC000587780854 KK Annotated Clean CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780966 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(COc5cccc(OC)c5)cc4)nc3cc21 ZINC000587780968 KK Annotated Clean CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780969 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780972 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780976 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780977 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780978 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780982 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780984 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780987 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Cl)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587780989 KK Annotated Anodyne CCCCCCCCOc1cc2[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc2cc1Br ZINC000587780999 KK Annotated Mild CCC[C@@H](CC1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781010 KK Annotated Anodyne CCC[C@H](CC1(c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781015 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781019 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(Oc4ccc(C(=O)OC)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781024 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCCC1)C(=O)OCc1ccccc1 ZINC000587781051 KK Annotated Clean CCC[C@@H](CC1(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CCCC1)C(=O)OCc1ccccc1 ZINC000587781052 KK Annotated Clean CCC[C@H](CC1(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781055 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781056 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781069 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781070 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781085 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781086 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(I)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781165 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(I)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781167 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781191 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC(C)C)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781194 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781221 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781222 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781232 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781233 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC(=O)OCc3ccccc3)[nH]c21 ZINC000587781237 KK Annotated Clean CCC[C@@H](CC1(c2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781249 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781250 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781279 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781280 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COC/C=C/c3ccccc3)[nH]c21 ZINC000587781305 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COC/C=C\c3ccccc3)[nH]c21 ZINC000587781306 KK Annotated Clean CCC[C@H](CC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781352 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781353 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CCCC1)C(=O)OCc1ccccc1 ZINC000587781395 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CCCC1)C(=O)OCc1ccccc1 ZINC000587781398 KK Annotated Anodyne CCC[C@H](CC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781407 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781408 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781435 KK Annotated Bother CCC[C@H](CC1(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781436 KK Annotated Bother CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781450 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781451 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781464 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781465 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781471 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781472 KK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)c1 ZINC000587781494 KK Annotated Anodyne COc1cccc(OCc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1 ZINC000587781591 KK Annotated Reactive CCCCOc1cc2nc(C3(C[C@@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587781601 KK Annotated Anodyne CCCCOc1cc2nc(C3(C[C@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587781604 KK Annotated Anodyne O=[N+]([O-])c1c(Br)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587781622 KK Annotated Bother CCC[C@H](CC1(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781638 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781641 KK Annotated Anodyne CC(C)Oc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587781643 KK Annotated Anodyne O=[N+]([O-])c1cc(Br)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587781651 KK Annotated Bother Clc1cc(Br)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587781654 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(C[C@@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587781712 KK Annotated Mild CCCCCCCCOc1cc2nc(C3(C[C@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587781720 KK Annotated Mild CCC[C@@H](CC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781730 KK Annotated Anodyne CCC[C@H](CC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781744 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3cc21 ZINC000587781751 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781765 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781769 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781820 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587781827 KK Annotated Anodyne Brc1cnc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587781844 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(COc4cccc(OC)c4)cc3)nc21 ZINC000587781924 KK Annotated Clean CCCOc1cc2nc(C3(C[C@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587782006 KK Annotated Anodyne CCCOc1cc2nc(C3(C[C@@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587782007 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782013 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782016 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782056 KK Annotated Anodyne Ic1cccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782070 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782104 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccc(OC)cc4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782105 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782107 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782108 KK Annotated Anodyne CC(C)COc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782125 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782141 KK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782146 KK Annotated Anodyne CCCCCOc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782153 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782157 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(=O)OC)c(Nc4ccccc4)c(F)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782158 KK Annotated Anodyne Brc1cc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2cc1OCc1ccccc1 ZINC000587782174 KK Annotated Anodyne FS(F)(F)(F)(F)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 ZINC000587782180 KK Annotated Reactive CCCOc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782218 KK Annotated Anodyne Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587782242 KK Annotated Reactive Ic1cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782245 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782246 KK Annotated Anodyne FC(F)(F)c1c(Br)ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782254 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(I)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782272 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(I)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782274 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCCC1)C(=O)OCc1ccccc1 ZINC000587782304 KK Annotated Clean CCC[C@@H](CC1(c2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCCC1)C(=O)OCc1ccccc1 ZINC000587782315 KK Annotated Clean CCC[C@@H](CC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782318 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782319 KK Annotated Anodyne CCCCCOc1cc2nc(C3(C[C@@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587782323 KK Annotated Anodyne CCCCCOc1cc2nc(C3(C[C@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2cc1Br ZINC000587782325 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782345 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782347 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782360 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782361 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782396 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782399 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(C[C@@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2c1 ZINC000587782440 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(C3(C[C@H](CCC)C(=O)OCc4ccccc4)CCCC3)[nH]c2c1 ZINC000587782441 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782454 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(-c4nnc(-c5ccc(OC)cc5)o4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782455 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Cl ZINC000587782460 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587782465 KK Annotated Anodyne Clc1c(Br)cnc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587782480 KK Annotated Anodyne Clc1ncc(Br)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782483 KK Annotated Anodyne FC(F)(F)Oc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782497 KK Annotated Anodyne Clc1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782509 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587782512 KK Annotated Anodyne Brc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782524 KK Annotated Anodyne CC(C)CCOc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782533 KK Annotated Anodyne O=C(O)c1cc2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587782560 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC(=O)OCc4ccccc4)[nH]c3cc21 ZINC000587782591 KK Annotated Clean CCC[C@@H](CC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782592 KK Annotated Anodyne CCC[C@H](CC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782593 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782599 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782600 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782715 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782718 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782822 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782823 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782840 KK Annotated Bother CCC[C@@H](CC1(c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782842 KK Annotated Bother CCOC(=O)c1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782852 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782858 KK Annotated Anodyne FC(F)(F)c1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782860 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782862 KK Annotated Anodyne CCC[C@@H](CC1(c2nc3ccc(I)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782887 KK Annotated Anodyne CCC[C@H](CC1(c2nc3ccc(I)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 ZINC000587782889 KK Annotated Anodyne CCC[C@H](CC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCCC1)C(=O)OCc1ccccc1 ZINC000587782908 KK Annotated Clean CCC[C@@H](CC1(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)CCCC1)C(=O)OCc1ccccc1 ZINC000587782909 KK Annotated Clean CCCCCCCCOc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587782918 KK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587782932 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c21 ZINC000587782948 KK Annotated Clean Clc1ncc(I)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c12 ZINC000587782993 KK Annotated Anodyne Brc1ccc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc12 ZINC000587783075 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc1-2 ZINC000587783084 KK Annotated Anodyne CCCCOc1cc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2cc1Br ZINC000587783108 KK Annotated Anodyne FC(F)(F)Oc1cc(Br)c2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2c1 ZINC000587783140 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1Br ZINC000587783153 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OCc5ccccc5)ccc4O)[nH]c3cc21 ZINC000587783154 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(-c3cc(OCc4ccccc4)ccc3O)nc1-2 ZINC000587783162 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3CC(=O)OC)[nH]c21 ZINC000587783186 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCOCC4CC4)[nH]c3cc21 ZINC000587783290 KK Annotated Clean COC(=O)Cc1ccccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587783332 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCOCC3CC3)[nH]c21 ZINC000587783366 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c21 ZINC000587783425 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c21 ZINC000587783428 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3cc21 ZINC000587783433 KK Annotated Clean COC(=O)Cc1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587783463 KK Annotated Bother Brc1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1OCc1ccccc1 ZINC000587783530 KK Annotated Anodyne Brc1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1OCc1ccccc1 ZINC000587783532 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 ZINC000587783561 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 ZINC000587783562 KK Annotated Anodyne c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(-c6nc7ccccc7s6)cc5[nH]4)cc3)c2)cc1 ZINC000587783570 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587783706 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3cc21 ZINC000587783709 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3cc21 ZINC000587783713 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4CC(=O)OC)[nH]c3cc21 ZINC000587783732 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c21 ZINC000587783763 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587783877 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587783878 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc([C@H]5C[C@@H]5C(=O)OC)cc4)nc3cc21 ZINC000587784001 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc([C@@H]5C[C@@H]5C(=O)OC)cc4)nc3cc21 ZINC000587784002 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc([C@H]5C[C@H]5C(=O)OC)cc4)nc3cc21 ZINC000587784003 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc([C@@H]5C[C@H]5C(=O)OC)cc4)nc3cc21 ZINC000587784004 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3cc21 ZINC000587784146 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784296 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cc1Br ZINC000587784297 KK Annotated Mild O=C(O)c1cc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587784317 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587784321 KK Annotated Bother FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784323 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 ZINC000587784325 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](C)CC(=O)OC)[nH]c21 ZINC000587784489 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587784660 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3cc21 ZINC000587784675 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3cc21 ZINC000587784677 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(OC)c(O)c(OC)c4)[nH]c3cc21 ZINC000587784681 KK Annotated Clean O=C(O)c1cc2[nH]c(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587784686 KK Annotated Bother CCCOc1cc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2cc1Br ZINC000587784778 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c21 ZINC000587784869 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c21 ZINC000587784870 KK Annotated Clean Oc1nc(NCc2ccccc2)c2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)nc-2[nH]1 ZINC000587784898 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(C)c(Br)cnc2[nH]1 ZINC000587784904 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c21 ZINC000587784936 KK Annotated Clean O=C(c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1)N1CCN(CCO)CC1 ZINC000587784944 KK Annotated Anodyne CC1=C(c2ccc3nc(Cc4ccc(-c5cccc(OCc6ccccc6)c5)cc4)[nH]c3c2)NNC(=O)C1 ZINC000587784981 KK Annotated Anodyne CCCCOc1cc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2cc1Br ZINC000587785005 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 ZINC000587785038 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 ZINC000587785040 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2cc1Br ZINC000587785146 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc1-2 ZINC000587785165 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc1-2 ZINC000587785167 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(O)c1O ZINC000587785187 KK Annotated Clean COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(O)c1O ZINC000587785188 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)c(Br)cc2[nH]1 ZINC000587785277 KK Annotated Anodyne COc1cc(/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(O)c1O ZINC000587785283 KK Annotated Clean COc1cc(/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(O)c1O ZINC000587785284 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587785294 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)c(C)c2[nH]1 ZINC000587785338 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc([C@H]4C[C@@H]4C(=O)OC)cc3)nc21 ZINC000587785394 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc([C@@H]4C[C@@H]4C(=O)OC)cc3)nc21 ZINC000587785395 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc([C@H]4C[C@H]4C(=O)OC)cc3)nc21 ZINC000587785396 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc([C@@H]4C[C@H]4C(=O)OC)cc3)nc21 ZINC000587785397 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc(C)c2[nH]1 ZINC000587785443 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587785481 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C)cc(Br)c2[nH]1 ZINC000587785530 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587785573 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587785597 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cc(O)c(O)c(OC)c4)[nH]c3cc21 ZINC000587785845 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cc(O)c(O)c(OC)c4)[nH]c3cc21 ZINC000587785846 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587785849 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)nc2c1 ZINC000587785860 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)c(C)nc2[nH]1 ZINC000587785931 KK Annotated Anodyne COc1cc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc(OC)c1O ZINC000587785981 KK Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587786041 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587786042 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587786059 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587786064 KK Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587786068 KK Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587786088 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cc1O ZINC000587786107 KK Annotated Bother COc1ccc(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(OC)c1C ZINC000587786114 KK Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587786148 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3c(C=O)ccc(OC)c3OC)nc21 ZINC000587786169 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587786200 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCC(=O)c4cc(C)ccc4OC)[nH]c3cc21 ZINC000587786301 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)c(O)c2[nH]1 ZINC000587786306 KK Annotated Anodyne COc1cccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1O ZINC000587786307 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587786332 KK Annotated Anodyne COc1cc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc(OC)c1O ZINC000587786353 KK Annotated Anodyne CCCCCOc1cc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2cc1Br ZINC000587786393 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(OC)c(O)c5)c4)[nH]c3cc21 ZINC000587786599 KK Annotated Clean COc1ccc(C=O)c(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)c1OC ZINC000587786645 KK Annotated Bother COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)cc1O ZINC000587786680 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587786714 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587786733 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587786734 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587786752 KK Annotated Anodyne COc1ccc(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(OC)c1C ZINC000587786772 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(OC)c(O)c(OC)c3)[nH]c21 ZINC000587786778 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587786801 KK Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587786819 KK Annotated Mild COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587786827 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)nc2c1 ZINC000587786914 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587786961 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587786972 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587787044 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587787066 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(OC)c(C)c4OC)[nH]c3cc21 ZINC000587787081 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587787083 KK Annotated Bother COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587787094 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587787107 KK Annotated Bother COc1ccc(C=O)cc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587787147 KK Annotated Bother COc1ccc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cc1O ZINC000587787192 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1O ZINC000587787201 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c21 ZINC000587787249 KK Annotated Clean COc1ccc(C=O)cc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587787266 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4c(C=O)ccc(OC)c4OC)nc3cc21 ZINC000587787274 KK Annotated Clean COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587787330 KK Annotated Bother COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587787332 KK Annotated Bother COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587787333 KK Annotated Bother COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587787334 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(C)cccc3OC)[nH]c21 ZINC000587787500 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c21 ZINC000587787532 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587787535 KK Annotated Reactive COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587787578 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000587787584 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 ZINC000587787602 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587787605 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(I)cc2[nH]1 ZINC000587787610 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587787611 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(O)cc(C)cc4Oc4c(OC)cc(O)cc4C(=O)OC)[nH]c3cc21 ZINC000587787613 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(OC(F)(F)F)c2[nH]1 ZINC000587787615 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCC(=O)c3cc(C)ccc3OC)[nH]c21 ZINC000587787637 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)cc(F)c2[nH]1 ZINC000587787663 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 ZINC000587787676 KK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587787684 KK Annotated Bother COc1ccc(C=O)c(-c2nc3cc4c(cc3[nH]2)C(=O)OC42c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1OC ZINC000587787734 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(C)cccc4OC)[nH]c3cc21 ZINC000587787759 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(OC)c3O)[nH]c21 ZINC000587787777 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587787837 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587787845 KK Annotated Bother COc1cccc(C)c1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587787852 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(C=O)ccc4OC)[nH]c3cc21 ZINC000587787924 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(C=O)ccc3OC)[nH]c21 ZINC000587787976 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](C)CC(=O)OC)[nH]c3cc21 ZINC000587787998 KK Annotated Clean COc1ccc(C)cc1C(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587788048 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587788123 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(I)c2[nH]1 ZINC000587788128 KK Annotated Anodyne COc1ccc(C)cc1C(=O)CCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587788172 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(F)cc(Br)c2[nH]1 ZINC000587788180 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587788182 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587788199 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587788206 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587788213 KK Annotated Reactive COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587788215 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000587788224 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587788225 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 ZINC000587788226 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587788229 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587788240 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4c(O)cc(C)cc4Oc4c(OC)cc(O)cc4C(=O)OC)[nH]c3c2)cc1 ZINC000587788245 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587788250 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587788263 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587788274 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587788275 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(F)c(Br)c2[nH]1 ZINC000587788276 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(Br)c(F)cc2[nH]1 ZINC000587788286 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587788287 KK Annotated Anodyne COC(=O)c1cc2nc(-c3c(O)cc(C)cc3Oc3c(OC)cc(O)cc3C(=O)OC)[nH]c2c(F)c1Nc1ccccc1 ZINC000587788320 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587788326 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(Br)c(F)c2[nH]1 ZINC000587788336 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(OC)c(C)c3OC)[nH]c21 ZINC000587788354 KK Annotated Clean COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 ZINC000587788355 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587788358 KK Annotated Anodyne COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587788360 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788770 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788777 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788779 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788782 KK Annotated Mild CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788783 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788795 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788797 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587788800 KK Annotated Mild CCOc1ccc(OCCOc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OCC)cc1 ZINC000587788801 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OCC)cc1 ZINC000587788802 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OCC)cc1 ZINC000587788803 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OCC)cc1 ZINC000587788804 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2\C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788828 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2\C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788836 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2/C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788838 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2/C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587788840 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587788876 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587788884 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587788893 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587788900 KK Annotated Clean CCOC(=O)C(Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C)C(=O)OCC ZINC000587788910 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C)C(=O)OCC ZINC000587788916 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C)C(=O)OCC ZINC000587788917 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(C)C)C(=O)OCC ZINC000587788918 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587788947 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587788952 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587788953 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587788954 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587788964 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587788972 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587788973 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587788974 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2\C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788990 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2\C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788992 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2/C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788993 KK Annotated Anodyne COc1ccccc1[C@]1(/C=C2/C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587788994 KK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587789025 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587789028 KK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587789029 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587789030 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789031 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789032 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789033 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789034 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789035 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789036 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789037 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587789038 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587789039 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587789040 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587789041 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587789042 KK Annotated Bother CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@]2(CC(C)(C)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587789140 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@@]2(CC(C)(C)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587789142 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@@]2(CC(C)(C)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587789145 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@]2(CC(C)(C)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587789147 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587789168 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587789169 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587789170 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587789173 KK Annotated Anodyne C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587789198 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587789199 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587789200 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587789201 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](C)C/C=C/[C@H]1[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]13OC(=O)O/C=C/[C@@]2(C)O ZINC000587789226 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587789240 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](C)C/C=C/[C@H]1[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]13OC(=O)O/C=C/[C@@]2(C)O ZINC000587789241 KK Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789242 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587789250 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587789257 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587789258 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587789259 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587789277 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587789282 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587789283 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587789284 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789355 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587789357 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587789358 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587789359 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789361 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587789363 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789364 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587789367 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587789368 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587789376 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587789381 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587789385 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587789393 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587789399 KK Annotated Anodyne CCCCCCCCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587789402 KK Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587789404 KK Annotated Anodyne CCCCCCCCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587789407 KK Annotated Mild C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587789409 KK Annotated Anodyne CCCCCCCCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587789410 KK Annotated Mild CCCCCCCCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587789411 KK Annotated Mild COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789443 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789445 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789447 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789450 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587789456 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587789472 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587789473 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587789474 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789490 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789500 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789502 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587789504 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587789506 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587789508 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587789510 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587789512 KK Annotated Anodyne CC1=C[C@@H](O)C[C@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789547 KK Annotated Anodyne CC1=C[C@@H](O)C[C@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789548 KK Annotated Anodyne CC1=C[C@@H](O)C[C@@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789549 KK Annotated Anodyne CC1=C[C@@H](O)C[C@@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587789550 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789586 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789603 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789608 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789610 KK Annotated Anodyne CC1=C[C@@H](O)C[C@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789624 KK Annotated Anodyne CC1=C[C@@H](O)C[C@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789632 KK Annotated Anodyne CC1=C[C@@H](O)C[C@@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789638 KK Annotated Anodyne CC1=C[C@@H](O)C[C@@]2(Cc3nc(co3)C(=O)N3CCC=C3C(=O)O[C@H](C(C)C)[C@H](C)C=CC(=O)NCC=C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587789640 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587789714 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587789716 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587789719 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587789720 KK Annotated Reactive COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587789722 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587789725 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587789726 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587789728 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587789730 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587789731 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587789733 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587789735 KK Annotated Reactive CCCCCCCCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCCCCCCCC)cc1C=O ZINC000587789801 KK Annotated Mild CCCCCCCCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCCCCCCCC)cc1C=O ZINC000587789806 KK Annotated Mild CCCCCCCCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCCCCCCCC)cc1C=O ZINC000587789811 KK Annotated Mild CCCCCCCCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCCCCCCCC)cc1C=O ZINC000587789816 KK Annotated Mild CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587789936 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587789943 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587789945 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587789946 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789948 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789950 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789952 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587789954 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790025 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790026 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790027 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790028 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@@H](C)Cc2cc(Br)c(F)cc21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587790133 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@H](C)Cc2cc(Br)c(F)cc21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587790135 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@@H](C)Cc2cc(Br)c(F)cc21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587790136 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@H](C)Cc2cc(Br)c(F)cc21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587790137 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O ZINC000587790279 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O ZINC000587790280 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O ZINC000587790281 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1C=O ZINC000587790282 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587790303 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587790304 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587790305 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587790306 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C/[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790307 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C\[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790308 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C/[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790309 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C\[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587790310 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587790319 KK Annotated Clean C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587790320 KK Annotated Clean C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587790321 KK Annotated Clean C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587790322 KK Annotated Clean CCCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790328 KK Annotated Mild CCCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790330 KK Annotated Mild CCCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790331 KK Annotated Mild CCCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587790334 KK Annotated Mild COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790342 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790344 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790346 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790348 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587790351 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587790355 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587790357 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587790359 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790446 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790449 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790452 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587790455 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587790543 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587790545 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587790546 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587790547 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587790653 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587790654 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587790655 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(=O)c1ccc(C)c(C)c1 ZINC000587790656 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](C)C/C=C/[C@H]1[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]13OC(=O)O/C=C/[C@@]2(C)O ZINC000587790697 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](C)C/C=C/[C@H]1[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]13OC(=O)O/C=C/[C@@]2(C)O ZINC000587790698 KK Annotated Anodyne C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)O/C=C/[C@@](C)(O)[C@@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)[C@@H](C)C/C=C/[C@H]3[C@@H]2O[C@]12C ZINC000587790699 KK Annotated Anodyne C[C@H]1C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]23OC(=O)O/C=C/[C@@](C)(O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587790700 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790755 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790756 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790757 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587790758 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587790767 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587790768 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587790769 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(OCCCC(=O)O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(OCCCC(=O)O)cc1C4=O ZINC000587790770 KK Annotated Bother CCCCCCCCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587790775 KK Annotated Mild CCCCCCCCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587790776 KK Annotated Mild CCCCCCCCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587790777 KK Annotated Mild CCCCCCCCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587790778 KK Annotated Mild CCCC[C@H](CC)COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O ZINC000587790823 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O ZINC000587790825 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O ZINC000587790826 KK Annotated Anodyne CCCC[C@H](CC)COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1C=O ZINC000587790828 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790836 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790837 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790838 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587790839 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587790841 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587790844 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587790846 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587790848 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587790855 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587790856 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587790857 KK Annotated Anodyne CCCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587790858 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587790859 KK Annotated Anodyne CCCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCCC ZINC000587790860 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587790861 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@@H](C)Cc5cc(Br)c(F)cc53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587790862 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587790939 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587790940 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587790941 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587790942 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587790987 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587790991 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587790994 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587790997 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791036 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791039 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791040 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587791041 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587791219 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587791220 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587791221 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000587791222 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C/[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791322 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C/[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791325 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C\[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791327 KK Annotated Anodyne CC(C)=CCOc1ccc(/C=C\[C@]2(c3ccc(OCC=C(C)C)cc3OCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791330 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791368 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791369 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791371 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587791373 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791396 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791397 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791398 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791400 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791459 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791460 KK Annotated Anodyne CCCc1ccc([C@]2(COc3ccc(C=O)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791461 KK Annotated Anodyne CCCc1ccc([C@@]2(COc3ccc(C=O)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587791462 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)N1 ZINC000587791492 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)N1 ZINC000587791494 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791495 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@@H]2CCCNC2=O)N1 ZINC000587791496 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@@H]2CCCNC2=O)N1 ZINC000587791497 KK Annotated Anodyne C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791501 KK Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791508 KK Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587791511 KK Annotated Mild CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791574 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791577 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791580 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791584 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791674 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791677 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@]1(c2ccccc2Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791680 KK Annotated Anodyne COC(=O)c1c(C)[nH]c(C)c1[C@@]1(c2ccccc2Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587791684 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587791879 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587791880 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587791881 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587791882 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587791907 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587791908 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587791909 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587791910 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587792074 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587792080 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587792086 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587792092 KK Annotated Clean CCOC(=O)C(Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C)C(=O)OCC ZINC000587792098 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C)C(=O)OCC ZINC000587792101 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C)C(=O)OCC ZINC000587792103 KK Annotated Anodyne CCOC(=O)C(Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(C)C)C(=O)OCC ZINC000587792104 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792256 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792257 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792258 KK Annotated Anodyne CCOC(=O)C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587792259 KK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792316 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792326 KK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792327 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792328 KK Annotated Mild COC(=O)c1ccc(OCCCOc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587792339 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587792340 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587792342 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587792344 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792354 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792360 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792361 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792362 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792395 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792396 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792397 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCCCCCCCCCO)cc2)N1 ZINC000587792398 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792485 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792486 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792487 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587792488 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587792506 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587792507 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587792508 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587792509 KK Annotated Anodyne CCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792762 KK Annotated Mild CCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792767 KK Annotated Mild CCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792769 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792771 KK Annotated Anodyne CCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792772 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792776 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792778 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792781 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792844 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792852 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792859 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587792863 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792876 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792880 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792883 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587792887 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792950 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792952 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792954 KK Annotated Anodyne COc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587792956 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OCC)cc1 ZINC000587792965 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OCC)cc1 ZINC000587792967 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OCC)cc1 ZINC000587792969 KK Annotated Anodyne CCOc1ccc(OCCOc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OCC)cc1 ZINC000587792971 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@H](C)Cc2ccc(F)c(Br)c21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587793099 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@H](C)Cc2ccc(F)c(Br)c21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587793105 KK Annotated Anodyne CC/C(=C/C=C/[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@@H](C)Cc2ccc(F)c(Br)c21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587793109 KK Annotated Anodyne CC/C(=C/C=C\[C@@H]1C=C[C@@H]2[C@@H](CC)CC[C@H]2[C@@H]1[C@]1(c2ccc[nH]2)N[C@@H](C)Cc2ccc(F)c(Br)c21)[C@@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000587793112 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793441 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793444 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793446 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587793448 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793477 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793480 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793482 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793484 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587793520 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587793521 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587793522 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587793523 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793556 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793557 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793558 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587793559 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587793652 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587793653 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@]3(c5ccc[nH]5)N[C@@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587793654 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)[C@@]3(c5ccc[nH]5)N[C@@H](C)Cc5ccc(F)c(Br)c53)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587793655 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@]2(CC(C)(C)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587793680 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@]2(CC(C)(C)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587793681 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@@]2(CC(C)(C)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587793682 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccoc2)[C@@]2(CC(C)(C)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587793683 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793750 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793757 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793760 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587793762 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793813 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793814 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793815 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587793816 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5N[C@@H](C)Cc6cc(Br)c(F)cc65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587793915 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5N[C@H](C)Cc6cc(Br)c(F)cc65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587793918 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5N[C@H](C)Cc6cc(Br)c(F)cc65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587793922 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5N[C@@H](C)Cc6cc(Br)c(F)cc65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587793926 KK Annotated Clean CCCc1ccc(C(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587793930 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587793936 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587793937 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587793939 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ON1 ZINC000587793955 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ON1 ZINC000587793956 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ON1 ZINC000587793957 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ON1 ZINC000587793959 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587794043 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587794045 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587794048 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)N1 ZINC000587794050 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587794052 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587794054 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587794056 KK Annotated Anodyne CCCc1ccc(C(=O)COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587794059 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587794114 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794116 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587794118 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794119 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794122 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587794124 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794125 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\c1ccc3oc4ccccc4c3c1)N1CCC2CC1 ZINC000587794127 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587794144 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587794146 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC[C@H](C)CCCC(C)C)cc1C=O ZINC000587794148 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCC[C@@H](C)CCCC(C)C)cc1C=O ZINC000587794150 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(C)c1 ZINC000587794152 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(C)c1 ZINC000587794160 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(C)c1 ZINC000587794163 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1cccc(C)c1 ZINC000587794165 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587794496 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587794503 KK Annotated Clean COc1ccc(OC)c(-c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c1OC ZINC000587794506 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587794509 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2ccc2[nH]c3c(ccc4c(=O)c5ccccc5c(=O)c43)[nH]c12 ZINC000587794513 KK Annotated Clean C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794527 KK Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794532 KK Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794537 KK Annotated Mild C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@@]2(CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587794540 KK Annotated Mild CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794588 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794593 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794596 KK Annotated Anodyne CCOC(=O)C1=C(C)NC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794602 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587794607 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587794612 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587794618 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587794624 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587794670 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587794674 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]123 ZINC000587794678 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794679 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794680 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794681 KK Annotated Anodyne CC(=O)O[C@@H]1/C=C/[C@@](C)(O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C/C=C/[C@H]2[C@H](O)C(C)=C(C)[C@@H]3[C@H](Cc4ccccc4)NC(=O)[C@@]312 ZINC000587794682 KK Annotated Anodyne CCCC[C@H](CC)COc1cc(C=O)c(OC)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794683 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587794700 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587794701 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587794703 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587794705 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587794708 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587794710 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587794711 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587794712 KK Annotated Anodyne CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794718 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794721 KK Annotated Mild CCCCCCC[C@@]1(c2ccc(CCOC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794723 KK Annotated Mild CCCCCCC[C@]1(c2ccc(CCOC(C)=O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587794724 KK Annotated Mild CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794858 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794859 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794860 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587794861 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587794876 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587794877 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587794878 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 ZINC000587794879 KK Annotated Reactive COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795029 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795030 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795031 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795032 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795053 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795059 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795061 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587795064 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587795067 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587795070 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587795072 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)c1 ZINC000587795074 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587795098 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587795102 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587795106 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587795109 KK Annotated Anodyne C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587795158 KK Annotated Clean C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587795160 KK Annotated Clean C=CC(=O)OCCOc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587795163 KK Annotated Clean C=CC(=O)OCCOc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587795167 KK Annotated Clean CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587795215 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587795222 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587795225 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)c1 ZINC000587795230 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587795432 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587795436 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587795441 KK Annotated Anodyne C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](C[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000587795443 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587795448 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587795452 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587795454 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587795456 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587795484 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587795487 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587795490 KK Annotated Anodyne CC(C)COC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587795493 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(C)cc1 ZINC000587795776 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(C)cc1 ZINC000587795778 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(C)cc1 ZINC000587795780 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1ccc(C)cc1 ZINC000587795782 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795784 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795789 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795792 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587795795 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795838 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795842 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795847 KK Annotated Anodyne CC(=O)c1cccc(OCCOc2cccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795851 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795855 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795858 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795863 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)c1 ZINC000587795866 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587795892 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587795894 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587795897 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)c3c2OCC(=O)N3)N1 ZINC000587795902 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587796123 KK Annotated Anodyne Cc1cccn2c(=O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587796126 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587796128 KK Annotated Anodyne Cc1cccn2c(=O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(N3CCC(Cc4ccccc4)CC3)nc12 ZINC000587796129 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796202 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796205 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796210 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796211 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587796392 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587796394 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587796396 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCCOc3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587796398 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587796423 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587796424 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587796425 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587796427 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587796494 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587796496 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587796499 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587796501 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@@]2(CC(C)(C)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587796584 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@]2(CC(C)(C)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587796585 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@]2(CC(C)(C)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587796586 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@@]2(CC(C)(C)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)NN1 ZINC000587796587 KK Annotated Anodyne CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5N[C@H](C)Cc6ccc(F)c(Br)c65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796684 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5N[C@H](C)Cc6ccc(F)c(Br)c65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796685 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@H]5N[C@@H](C)Cc6ccc(F)c(Br)c65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796686 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c([C@@H]5N[C@@H](C)Cc6ccc(F)c(Br)c65)c(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000587796687 KK Annotated Clean C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587796710 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587796711 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587796712 KK Annotated Mild C=C1[C@@H](O)[C@@H]2/C=C/C[C@H](C)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)/C=C/[C@@H](OC(C)=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000587796713 KK Annotated Mild CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ON1 ZINC000587796714 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ON1 ZINC000587796715 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ON1 ZINC000587796716 KK Annotated Anodyne CCOC(=O)C1=C[C@H](COc2ccc3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ON1 ZINC000587796718 KK Annotated Anodyne CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587796720 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587796740 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587796744 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587796749 KK Annotated Mild COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796790 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796793 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796802 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796803 KK Annotated Anodyne CCOC(=O)c1nocc1[C@@]1(c2ccc3ccccc3c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796804 KK Annotated Anodyne CCOC(=O)c1nocc1[C@]1(c2ccc3ccccc3c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587796807 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587796881 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587796882 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587796883 KK Annotated Anodyne Cc1noc2nc(C3CC3)cc(C(=O)OC[C@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587796884 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587796977 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587796979 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587796981 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587796984 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797058 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797062 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797066 KK Annotated Anodyne CCOC(=O)COc1cc(OCC=C(C)C)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797069 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797111 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@@]1(c2ccc(C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797112 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797113 KK Annotated Anodyne CCOC(=O)C[C@H](C(=O)c1ccc(C)cc1)[C@@]1(c2ccc(C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797114 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797247 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2ccc(C)c(C)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587797250 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587797253 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587797256 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587797258 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587797262 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)N1 ZINC000587797349 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@H]2CCCNC2=O)N1 ZINC000587797351 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(-c3ccccc3)nc3ccccc23)([C@@H]2CCCNC2=O)N1 ZINC000587797353 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(-c3ccccc3)nc3ccccc23)([C@@H]2CCCNC2=O)N1 ZINC000587797356 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797363 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797365 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@@]1(c2cc(C)c(C)cc2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797367 KK Annotated Anodyne COc1cc(C=O)ccc1OC[C@]1(c2cc(C)c(C)cc2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587797368 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587797544 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587797545 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587797546 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(OCCOc3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587797547 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587797552 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587797553 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587797554 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587797556 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587797644 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587797646 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587797648 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587797650 KK Annotated Anodyne CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587797666 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587797674 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587797677 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1cc(Br)c(F)cc13)OCCCCCCCCCCCC ZINC000587797681 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587797694 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587797697 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587797700 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=Nc4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587797702 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC)c1ccccc1 ZINC000587797892 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC)c1ccccc1 ZINC000587797893 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC)c1ccccc1 ZINC000587797894 KK Annotated Anodyne COC(=O)[C@H](Oc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC)c1ccccc1 ZINC000587797895 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587797960 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587797962 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587797964 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587797968 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(C)c1 ZINC000587798042 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(C)c1 ZINC000587798045 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(C)c1 ZINC000587798048 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCCOc1cccc(C)c1 ZINC000587798051 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(C)cc1 ZINC000587798065 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(C)cc1 ZINC000587798068 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(C)cc1 ZINC000587798072 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCCOc1ccc(C)cc1 ZINC000587798076 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587798150 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587798152 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587798153 KK Annotated Anodyne COC(=O)c1ccc(OCCCOc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587798155 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587798212 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587798213 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587798214 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O[C@H](C(=O)O)c1ccccc1 ZINC000587798215 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587798256 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587798257 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587798258 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc3[nH]c4c(ccc5c(=O)c6ccccc6c(=O)c54)[nH]c3c12 ZINC000587798259 KK Annotated Clean CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798380 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798381 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798382 KK Annotated Anodyne CCOc1ccc(Nc2nc3c(C)cccn3c(=O)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587798383 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587798436 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587798437 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587798438 KK Annotated Anodyne COC(=O)c1ccc(OCCOc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587798439 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587798577 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587798579 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587798581 KK Annotated Anodyne COC(=O)c1cccc(OCCOc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)c1 ZINC000587798582 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@@]2(CC(C)(C)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587798646 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@]2(CC(C)(C)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587798647 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@]2(CC(C)(C)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587798648 KK Annotated Anodyne CC1=C2C(=NC3=C([C@@H]2c2ccccc2)[C@@]2(CC(C)(C)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)NN1 ZINC000587798649 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587798690 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587798691 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587798692 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3cccc(O)c3)Nc3ccc4ccccc4c32)N1 ZINC000587798693 KK Annotated Anodyne CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587798734 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587798735 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587798736 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1)OC1=C(C)[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587798737 KK Annotated Mild CCCCCCCCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCCCCCCCC)cc1C=O ZINC000587798757 KK Annotated Mild CCCCCCCCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCCCCCCCC)cc1C=O ZINC000587798759 KK Annotated Mild CCCCCCCCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OCCCCCCCC)cc1C=O ZINC000587798761 KK Annotated Mild CCCCCCCCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OCCCCCCCC)cc1C=O ZINC000587798763 KK Annotated Mild CCCOc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587798810 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587798811 KK Annotated Anodyne CCCOc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587798813 KK Annotated Anodyne CCCOc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCCC ZINC000587798815 KK Annotated Anodyne CCCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798883 KK Annotated Mild CCCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798885 KK Annotated Mild CCCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798887 KK Annotated Mild CCCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587798889 KK Annotated Mild COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798899 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798900 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798901 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587798902 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1OC ZINC000587799016 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1OC ZINC000587799054 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1OC ZINC000587799056 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C=O)cc1OC ZINC000587799058 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799104 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799107 KK Annotated Anodyne C/C(Nc1ccccc1)=C1\C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799108 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799109 KK Annotated Anodyne C/C(Nc1ccccc1)=C1/C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799110 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587799111 KK Annotated Anodyne C/C(Nc1ccccc1)=C1/C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799113 KK Annotated Anodyne C/C(Nc1ccccc1)=C1\C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587799115 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799157 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799161 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799162 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587799163 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587799184 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587799185 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587799186 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587799187 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799188 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799189 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799190 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799191 KK Annotated Anodyne CCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799258 KK Annotated Mild CCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799260 KK Annotated Mild CCCCCCC[C@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799262 KK Annotated Mild CCCCCCC[C@@]1(c2c(O)cc(O)cc2CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799264 KK Annotated Mild CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799266 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799272 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799274 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799276 KK Annotated Anodyne CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587799336 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587799339 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@]3(C=CC1=N2)N[C@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587799343 KK Annotated Mild CCCCCCCCCCCCOC[C@H](COC(=O)CCCC(=O)Oc1ccc2c(c1C)OC1=C[C@@]3(C=CC1=N2)N[C@@H](C)Cc1ccc(F)c(Br)c13)OCCCCCCCCCCCC ZINC000587799345 KK Annotated Mild COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799401 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799402 KK Annotated Anodyne COc1cccc([C@@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799403 KK Annotated Anodyne COc1cccc([C@]2(COC(=O)c3cc(C4CC4)nc4onc(C)c34)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587799404 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799695 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799696 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@@]1(C2(c3ccccc3)CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799698 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)[C@]1(C2(c3ccccc3)CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587799701 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799746 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799747 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799748 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)(C)C ZINC000587799749 KK Annotated Anodyne COc1cc(C)ccc1/C=C\[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799750 KK Annotated Clean COc1cc(C)ccc1/C=C/[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799751 KK Annotated Clean COc1cc(C)ccc1/C=C/[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799752 KK Annotated Clean COc1cc(C)ccc1/C=C\[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799753 KK Annotated Clean Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C1CCCC1)C2 ZINC000587799754 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C1CCCC1)C2 ZINC000587799755 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](C1CCCC1)C2 ZINC000587799756 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](C1CCCC1)C2 ZINC000587799757 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799786 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799787 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799788 KK Annotated Anodyne COC1CCC2(CC1)NC(=O)[C@H](c1cc(C)ccc1C)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587799789 KK Annotated Anodyne C/C(Nc1ccccc1)=C1\C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799824 KK Annotated Anodyne C/C(Nc1ccccc1)=C1/C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799825 KK Annotated Anodyne C/C(Nc1ccccc1)=C1/C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799826 KK Annotated Anodyne C/C(Nc1ccccc1)=C1\C(=O)N[C@H](Cc2ccccc2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587799827 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587799849 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C[C@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587799850 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587799851 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NC(=O)C[C@@H]3Nc4ccccc4NC3=O)cc2)N1 ZINC000587799852 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799986 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799987 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799988 KK Annotated Anodyne COc1ccc(COc2cccc(OC)c2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587799989 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587800042 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587800043 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587800044 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OCC ZINC000587800045 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587800150 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587800151 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587800152 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587800153 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800310 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800311 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800312 KK Annotated Anodyne CCOC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800313 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587800330 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587800331 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587800332 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587800333 KK Annotated Clean CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800534 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800535 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800536 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587800537 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587800574 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587800578 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587800581 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587800582 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587800658 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587800659 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587800660 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC ZINC000587800661 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800675 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800678 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800680 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587800682 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587800897 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587800900 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587800902 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587800904 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587801165 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587801166 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587801167 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(C)(C)C)cc1 ZINC000587801168 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587801239 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587801240 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587801241 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587801242 KK Annotated Reactive Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801263 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801264 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801265 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587801266 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801279 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801280 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801281 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 ZINC000587801282 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801305 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801306 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801307 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801308 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)C ZINC000587801365 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)C ZINC000587801366 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)C ZINC000587801367 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1cc(C)ccc1C(C)C ZINC000587801368 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OCC ZINC000587801529 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OCC ZINC000587801530 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OCC ZINC000587801531 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1OCC ZINC000587801532 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc2ccccc12 ZINC000587801541 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc2ccccc12 ZINC000587801542 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc2ccccc12 ZINC000587801543 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1cccc2ccccc12 ZINC000587801544 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)C ZINC000587801593 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)C ZINC000587801594 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)C ZINC000587801595 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1cc(C)ccc1C(C)C ZINC000587801596 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587801628 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587801630 KK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587801631 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587801632 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)O)cc1 ZINC000587801633 KK Annotated Anodyne Cc1ccc(C)c2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587801637 KK Annotated Anodyne Cc1ccc(C)c2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587801641 KK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587801644 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801735 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801748 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801750 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801751 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587801753 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587801760 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587801762 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587801763 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587801771 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587801772 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587801774 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587801776 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801833 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801834 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801835 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587801836 KK Annotated Clean COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801885 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801886 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801887 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C(C)(C)C)cc1 ZINC000587801888 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802061 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802062 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802063 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802064 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802065 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802066 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802067 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587802068 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802127 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802128 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802129 KK Annotated Anodyne CC(=O)[C@@H]1C(=O)N(C)C(C)(C)[C@@H]2Cc3cccc4[nH]cc(c34)[C@@H]2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587802130 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802269 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802270 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802271 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N1 ZINC000587802272 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587802323 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587802324 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587802325 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1OC ZINC000587802326 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802351 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802352 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802353 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587802354 KK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587802383 KK Annotated Anodyne Cc1ccc(C)c2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587802384 KK Annotated Anodyne Cc1ccc(C)c2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587802385 KK Annotated Anodyne Cc1ccc(C)c2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 ZINC000587802386 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802519 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802520 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802521 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802522 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587802523 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587802524 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587802525 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)N2CCc3ccccc32)(c2c[nH]c3ccccc23)N1 ZINC000587802526 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C1CCCC1)C2 ZINC000587802607 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](C1CCCC1)C2 ZINC000587802608 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C1CCCC1)C2 ZINC000587802609 KK Annotated Anodyne Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](C1CCCC1)C2 ZINC000587802610 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587802611 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587802612 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587802613 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1c(C)cc(C(C)(C)C)cc1C ZINC000587802614 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587802635 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587802636 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587802637 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587802638 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587802695 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587802696 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587802697 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587802698 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802699 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802700 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802701 KK Annotated Anodyne COc1ccc(C=O)cc1COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587802702 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587802803 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587802804 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587802806 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587802807 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587802932 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587802935 KK Annotated Anodyne COc1cc([C@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587802940 KK Annotated Anodyne COc1cc([C@@]2(Cc3nc4ccccc4[nH]3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1OC ZINC000587802941 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802950 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802952 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802953 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](CC[C@@]4(C)[C@@]3(O)CC[C@H]3Cc5c([nH]c6ccccc56)[C@@]34C)O[C@@H]2C(C)(C)O)N1 ZINC000587802954 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802967 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802968 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802969 KK Annotated Anodyne Cc1ccc2[nH]c(C34CC5CC(CC(C5)C3)C4)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 ZINC000587802970 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587803048 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587803049 KK Annotated Anodyne CCOc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587803050 KK Annotated Anodyne CCOc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OCC ZINC000587803051 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1OCC ZINC000587803085 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1OCC ZINC000587803086 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1OCC ZINC000587803087 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1OCC ZINC000587803088 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587803311 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587803313 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587803316 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 ZINC000587803317 KK Annotated Reactive COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587803373 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587803379 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587803385 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803390 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587803391 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803392 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803393 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803394 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587803424 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587803431 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587803432 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587803434 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803440 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803441 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803443 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803444 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803456 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803458 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803459 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803461 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587803519 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587803520 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587803521 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1ccc(OC)cc1 ZINC000587803522 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc2ccccc12 ZINC000587803539 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc2ccccc12 ZINC000587803540 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc2ccccc12 ZINC000587803541 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1cccc2ccccc12 ZINC000587803542 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803547 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803548 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803549 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803550 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587803583 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587803584 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587803585 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)ccc2OCc2ccccc2)N1 ZINC000587803586 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587803595 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587803596 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587803597 KK Annotated Anodyne CCOc1ccccc1OCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC ZINC000587803598 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803664 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803665 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803666 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)N1 ZINC000587803668 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803706 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803707 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803708 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587803709 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587803726 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587803727 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587803728 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587803729 KK Annotated Mild COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803838 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803839 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803841 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccccc1Cc1ccccc1 ZINC000587803843 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1OC ZINC000587803852 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1OC ZINC000587803854 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1OC ZINC000587803858 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc(C=O)cc1OC ZINC000587803859 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1OCC ZINC000587803876 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1OCC ZINC000587803879 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1OCC ZINC000587803881 KK Annotated Anodyne CCOc1ccc(COc2cccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1OCC ZINC000587803884 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587803943 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587803944 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587803950 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587803955 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587803969 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587803970 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587803971 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587803972 KK Annotated Mild COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587804032 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587804036 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587804039 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587804042 KK Annotated Anodyne COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804056 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804058 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804059 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C\c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804061 KK Annotated Mild COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C/c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804069 KK Annotated Clean COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C\c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804072 KK Annotated Clean COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C\c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804073 KK Annotated Clean COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C/c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804075 KK Annotated Clean COc1cc(CC[C@H](O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804094 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804097 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804099 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587804100 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804140 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804141 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804142 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587804143 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804192 KK Annotated Clean COCOc1cccc(C2(c3cccc(OCOC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804199 KK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587804200 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804205 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804208 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804211 KK Annotated Clean CC[C@H](C(=O)c1cccc(OC)c1)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804225 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804238 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804240 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587804243 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587804264 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587804266 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587804268 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587804270 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804357 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804359 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804361 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804362 KK Annotated Anodyne COc1cc(C)ccc1/C=C/[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804367 KK Annotated Clean COc1cc(C)ccc1/C=C/[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804369 KK Annotated Clean COc1cc(C)ccc1/C=C\[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804371 KK Annotated Clean COc1cc(C)ccc1/C=C\[C@]1(c2ccc(OCc3ccccc3)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804373 KK Annotated Clean CCOc1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OCC ZINC000587804383 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OCC ZINC000587804385 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OCC ZINC000587804387 KK Annotated Anodyne CCOc1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1OCC ZINC000587804390 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804440 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804441 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804442 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(OCc3ccccc3)cc2OCc2ccccc2)N1 ZINC000587804443 KK Annotated Anodyne COc1cc(O)c(OC)c(O)c1[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804464 KK Annotated Clean COc1cc(O)c(OC)c(O)c1[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804465 KK Annotated Clean COc1cc(O)c(OC)c(O)c1[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804466 KK Annotated Clean COc1cc(O)c(OC)c(O)c1[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804467 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587804567 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587804570 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587804574 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587804579 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804582 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587804583 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804589 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587804591 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804594 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587804596 KK Annotated Anodyne COc1cc(CC[C@H](O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587804598 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587804601 KK Annotated Anodyne COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587804602 KK Annotated Clean COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587804606 KK Annotated Clean COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587804610 KK Annotated Clean COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587804613 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587804749 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587804751 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587804754 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587804758 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804777 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804783 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804786 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587804789 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804808 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804811 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804812 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587804814 KK Annotated Anodyne CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804850 KK Annotated Mild CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804851 KK Annotated Mild COc1ccc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804860 KK Annotated Mild COc1ccc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804861 KK Annotated Mild COc1ccc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804862 KK Annotated Mild COc1ccc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587804863 KK Annotated Mild COc1ccc(/C=C\[C@]2(c3c(O)cc(OC)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804864 KK Annotated Clean COc1ccc(/C=C/[C@]2(c3c(O)cc(OC)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804865 KK Annotated Clean COc1ccc(/C=C/[C@]2(c3c(O)cc(OC)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804866 KK Annotated Clean COc1ccc(/C=C\[C@]2(c3c(O)cc(OC)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587804867 KK Annotated Clean COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804920 KK Annotated Anodyne COc1ccc([C@]2([C@H](C)c3ccc(CC(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804921 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804922 KK Annotated Anodyne COc1ccc([C@]2([C@@H](C)c3ccc(CC(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587804923 KK Annotated Anodyne CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804970 KK Annotated Mild CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587804972 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587804999 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805000 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805001 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587805002 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587805011 KK Annotated Mild CCCCCCCCC/C(=C/C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587805012 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587805013 KK Annotated Mild CCCCCCCCC/C(=C/C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)C(=O)O ZINC000587805014 KK Annotated Mild COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587805205 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587805206 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587805207 KK Annotated Anodyne COc1ccc(-c2[nH]c3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587805208 KK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805233 KK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805235 KK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805236 KK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805237 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805274 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805279 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805281 KK Annotated Anodyne Cc1ccccc1-c1[nH]c2ccc(C(C)(C)C)cc2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805286 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C/c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805289 KK Annotated Clean COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C\c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805290 KK Annotated Clean COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C/c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805292 KK Annotated Clean COc1cc(O)c(CC=C(C)C)c(O)c1[C@]1(/C=C\c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805293 KK Annotated Clean C=CC(C)(C)c1cc(/C=C/[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O ZINC000587805294 KK Annotated Mild C=CC(C)(C)c1cc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O ZINC000587805296 KK Annotated Mild C=CC(C)(C)c1cc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O ZINC000587805297 KK Annotated Mild C=CC(C)(C)c1cc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)cc1O ZINC000587805298 KK Annotated Mild CC[C@H](C(=O)c1ccc(OC)cc1)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805403 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805404 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805405 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805406 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587805407 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587805408 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587805409 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 ZINC000587805410 KK Annotated Clean COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C/C=C(\C)CCC=C(C)C)C1=O ZINC000587805411 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C/C=C(/C)CCC=C(C)C)C1=O ZINC000587805412 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C/C=C(\C)CCC=C(C)C)C1=O ZINC000587805413 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(C/C=C(/C)CCC=C(C)C)C1=O ZINC000587805414 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587805415 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587805416 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587805417 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587805418 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587805479 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587805480 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587805481 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)N1 ZINC000587805482 KK Annotated Anodyne COc1c(C)c(O)c(C)c(O)c1[C@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805509 KK Annotated Clean COc1c(C)c(O)c(C)c(O)c1[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805511 KK Annotated Clean COc1c(C)c(O)c(C)c(O)c1[C@@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805514 KK Annotated Clean COc1c(C)c(O)c(C)c(O)c1[C@]1(CCc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587805516 KK Annotated Clean COc1ccc(/C=C/C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805578 KK Annotated Mild COc1ccc(/C=C\C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805589 KK Annotated Mild COc1ccc(/C=C\C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805592 KK Annotated Mild COc1ccc(/C=C/C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587805594 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)C(=O)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587805618 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)C(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587805622 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)C(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587805624 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)C(=O)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587805627 KK Annotated Anodyne COc1cc(CCC(=O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587805629 KK Annotated Anodyne COc1cc(CCC(=O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587805634 KK Annotated Anodyne COc1cc(CCC(=O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587805636 KK Annotated Anodyne COc1cc(CCC(=O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587805638 KK Annotated Anodyne COc1ccc(/C=C/C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805653 KK Annotated Mild COc1ccc(/C=C\C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805654 KK Annotated Mild COc1ccc(/C=C\C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805655 KK Annotated Mild COc1ccc(/C=C/C(=O)C(C)(C)[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587805656 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O ZINC000587805679 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O ZINC000587805680 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O ZINC000587805681 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O ZINC000587805682 KK Annotated Mild COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587805811 KK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587805813 KK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587805817 KK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587805821 KK Annotated Clean CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805867 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805870 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805874 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587805877 KK Annotated Mild COc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805880 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805883 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805888 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587805890 KK Annotated Anodyne COc1cc(O)c(OC)c(O)c1[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805938 KK Annotated Clean COc1cc(O)c(OC)c(O)c1[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805941 KK Annotated Clean COc1cc(O)c(OC)c(O)c1[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805944 KK Annotated Clean COc1cc(O)c(OC)c(O)c1[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587805945 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N(C)C2=O)N1 ZINC000587805963 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N(C)C2=O)N1 ZINC000587805969 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N(C)C2=O)N1 ZINC000587805971 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N(C)C2=O)N1 ZINC000587805972 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587805983 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587805987 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587805989 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587805990 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806065 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806072 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806078 KK Annotated Anodyne COc1ccc([C@@H]2O[C@@H]2[C@]2(c3c[nH]c4ccccc34)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806083 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N(C)C2=O)N1 ZINC000587806126 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)[C@@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N(C)C2=O)N1 ZINC000587806127 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)[C@@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N(C)C2=O)N1 ZINC000587806128 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N(C)C2=O)N1 ZINC000587806129 KK Annotated Anodyne COc1cc(CCC(=O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587806198 KK Annotated Anodyne COc1cc(CCC(=O)C[C@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587806199 KK Annotated Anodyne COc1cc(CCC(=O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587806200 KK Annotated Anodyne COc1cc(CCC(=O)C[C@@]2(CCc3ccc(O)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587806201 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806202 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806203 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806204 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806205 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587806206 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587806207 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587806208 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1 ZINC000587806209 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806230 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806231 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806232 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806233 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806328 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806329 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806330 KK Annotated Anodyne COc1cccc(C(=O)[C@H](C)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806331 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806332 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806333 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806334 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587806335 KK Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C/C=C(\C)CCC=C(C)C)C1=O ZINC000587806348 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C/C=C(/C)CCC=C(C)C)C1=O ZINC000587806349 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C/C=C(\C)CCC=C(C)C)C1=O ZINC000587806350 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(C/C=C(/C)CCC=C(C)C)C1=O ZINC000587806351 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806360 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806361 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806362 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806363 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587806366 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587806367 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587806368 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587806369 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806382 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806383 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806384 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806385 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806386 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806387 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806388 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806389 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587806412 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587806413 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587806414 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587806415 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@@H]3CC[C@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806416 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806417 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806418 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806419 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@@H]3CC[C@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806420 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806421 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806422 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806423 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806440 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806441 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806442 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806443 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806444 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806445 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806446 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)CC[C@H]32)C1 ZINC000587806447 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806450 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806451 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806452 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806453 KK Annotated Mild COc1ccc(C=C2c3ccccc3C3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1O ZINC000587806485 KK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1O ZINC000587806489 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806501 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806504 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806506 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806508 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806555 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587806561 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806562 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587806563 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806564 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587806565 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587806566 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)N1 ZINC000587806567 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)C(=O)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587806579 KK Annotated Anodyne COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587806581 KK Annotated Clean COc1cc(O)c([C@]2(/C=C\c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587806582 KK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)C(=O)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587806583 KK Annotated Anodyne COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587806584 KK Annotated Clean COc1cc(O)c([C@]2(/C=C/c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587806585 KK Annotated Clean COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)C(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587806586 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)C(=O)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587806590 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587806602 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587806604 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587806606 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587806608 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806626 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806628 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806630 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587806632 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806645 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806650 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806652 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587806654 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1OC ZINC000587806656 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1OC ZINC000587806660 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1OC ZINC000587806663 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1OC ZINC000587806666 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587806678 KK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587806680 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC)C1=O ZINC000587806723 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC)C1=O ZINC000587806725 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC)C1=O ZINC000587806727 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC)C1=O ZINC000587806728 KK Annotated Mild COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587806750 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587806755 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587806758 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587806762 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(OC)cc1 ZINC000587806763 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(OC)cc1 ZINC000587806764 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(OC)cc1 ZINC000587806765 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(OC)cc1 ZINC000587806767 KK Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000587806809 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000587806810 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000587806811 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000587806812 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587806837 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587806840 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587806842 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587806843 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806845 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806847 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806849 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587806850 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806901 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806904 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806905 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587806907 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806909 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806910 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806912 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806914 KK Annotated Mild CCCCC(=O)O[C@]1([C@@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806922 KK Annotated Mild CCCCC(=O)O[C@]1([C@@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806924 KK Annotated Mild CCCCC(=O)O[C@]1([C@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806925 KK Annotated Mild CCCCC(=O)O[C@]1([C@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587806927 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587806943 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587806948 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587806950 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587806951 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587806953 KK Annotated Mild COc1ccc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587806954 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC ZINC000587806955 KK Annotated Anodyne COc1cc(O)c([C@]2(CCc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806968 KK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806969 KK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806970 KK Annotated Clean CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587806971 KK Annotated Mild COc1cc(O)c([C@]2(CCc3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587806972 KK Annotated Clean CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587806974 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587806977 KK Annotated Mild COCOc1cccc(C2(c3cccc(OCOC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806995 KK Annotated Anodyne COCOc1cccc(C2(c3cccc(OCOC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587806996 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807037 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807041 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807044 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)C(=O)C=C(OC(C)=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807047 KK Annotated Mild CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807048 KK Annotated Anodyne CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807052 KK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807054 KK Annotated Mild CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807057 KK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807060 KK Annotated Mild COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1OC ZINC000587807061 KK Annotated Clean CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807063 KK Annotated Mild CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807064 KK Annotated Anodyne CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807066 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807069 KK Annotated Mild COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1OC ZINC000587807073 KK Annotated Clean COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1OC ZINC000587807077 KK Annotated Clean C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807080 KK Annotated Mild COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)cc1OC ZINC000587807081 KK Annotated Clean C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807085 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807090 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587807138 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587807141 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807144 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587807145 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(OCc3ccccc3)cc2)N1 ZINC000587807148 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587807149 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587807150 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807151 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587807153 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807154 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587807155 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587807157 KK Annotated Anodyne COc1c(C)c(O)c(C)c(O)c1[C@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807209 KK Annotated Clean COc1c(C)c(O)c(C)c(O)c1[C@@]1(CCc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807212 KK Annotated Clean COc1c(C)c(O)c(C)c(O)c1[C@@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807216 KK Annotated Clean COc1c(C)c(O)c(C)c(O)c1[C@]1(CCc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807219 KK Annotated Clean COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807229 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807231 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807233 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807235 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587807237 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587807239 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587807241 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC12CC3CC(CC(C3)C1)C2 ZINC000587807244 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807283 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807284 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807285 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587807286 KK Annotated Anodyne C=CC(C)(C)c1cc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O ZINC000587807359 KK Annotated Mild C=CC(C)(C)c1cc(/C=C/[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O ZINC000587807361 KK Annotated Mild C=CC(C)(C)c1cc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O ZINC000587807362 KK Annotated Mild C=CC(C)(C)c1cc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)cc1O ZINC000587807365 KK Annotated Mild CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807375 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807379 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807383 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807384 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807395 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807399 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807404 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807408 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807426 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807430 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807433 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807434 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807446 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807447 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807449 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807450 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587807460 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587807464 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807468 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587807469 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3nc(-c4cccc(C#N)c4)[nH]c3c2)N1 ZINC000587807470 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807472 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807473 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807475 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587807507 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587807509 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587807511 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)CC[C@@H](C)[C@@]3(CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H]23)[C@@H](C)[C@@H]1O ZINC000587807513 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587807514 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587807517 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587807518 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587807520 KK Annotated Mild CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807527 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807528 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807530 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587807531 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807557 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807564 KK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807581 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(CCCC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807582 KK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807583 KK Annotated Mild CCCCCCCCCCCCC[C@]1(CCCC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807585 KK Annotated Mild CCCCCCCCC/C(=C/C1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587807699 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587807700 KK Annotated Mild CCCCCCCCC/C(=C/C1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587807701 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587807704 KK Annotated Mild COc1ccc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807786 KK Annotated Mild COc1ccc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807787 KK Annotated Mild COc1ccc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807788 KK Annotated Mild COc1ccc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587807789 KK Annotated Mild CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807802 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807803 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807804 KK Annotated Anodyne CC[C@H](c1cc(OC)c(OC)cc1C(=O)c1ccc(OC)c(OC)c1)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587807805 KK Annotated Anodyne COc1ccc([C@]2(/C=C\c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807818 KK Annotated Clean COc1ccc([C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807819 KK Annotated Clean COc1ccc([C@@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807820 KK Annotated Clean COc1ccc([C@@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807821 KK Annotated Clean COc1ccc([C@]2(/C=C\c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807822 KK Annotated Clean COc1ccc([C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 ZINC000587807823 KK Annotated Clean COc1cc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587807876 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587807877 KK Annotated Mild COc1cc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587807878 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587807879 KK Annotated Mild CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807884 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587807885 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587807890 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587807891 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587807892 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587807893 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807938 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807939 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807940 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807941 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587807950 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587807951 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807970 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807973 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807976 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587807979 KK Annotated Anodyne C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C/C)C2(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807991 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C\C)C2(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807993 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C/C)C2(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807996 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C\C)C2(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587807998 KK Annotated Mild C/C=C(/C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587808000 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587808003 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587808005 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1CC(C)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@]2(C)CC[C@](O)(C(C)C)[C@@H]12 ZINC000587808008 KK Annotated Anodyne COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000587808032 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000587808033 KK Annotated Mild COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000587808034 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000587808035 KK Annotated Mild COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587808081 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587808082 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587808083 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)cc1 ZINC000587808084 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2ccccc2c1 ZINC000587808096 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2ccccc2c1 ZINC000587808105 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2ccccc2c1 ZINC000587808107 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2ccccc2c1 ZINC000587808108 KK Annotated Anodyne COc1cc(/C=C/[C@]2(CC(=O)/C=C\c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808137 KK Annotated Mild COc1cc(/C=C/[C@]2(CC(=O)/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808139 KK Annotated Mild COc1cc(/C=C/[C@]2(CC(=O)/C=C/c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808141 KK Annotated Mild COc1cc(/C=C/[C@]2(CC(=O)/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808143 KK Annotated Mild COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587808145 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587808147 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587808150 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 ZINC000587808152 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1OC ZINC000587808225 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1OC ZINC000587808228 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1OC ZINC000587808231 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc(OC)c1OC ZINC000587808233 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2ccccc2c1 ZINC000587808251 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2ccccc2c1 ZINC000587808253 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2ccccc2c1 ZINC000587808255 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2ccccc2c1 ZINC000587808256 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587808272 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587808273 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587808274 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Oc2ccc(OCc3ccccc3)cc2)N1 ZINC000587808275 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587808296 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587808297 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587808298 KK Annotated Anodyne COC(=O)c1cc(NC(=O)OC(C)(C)C)cc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587808299 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587808344 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587808345 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587808346 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc3[nH]c(-c4ccc(C#N)cc4)nc3c2)N1 ZINC000587808347 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808392 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808403 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808404 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808406 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808418 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808427 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808428 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808429 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587808430 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587808431 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587808432 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587808435 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(C=C(OC(C)=O)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808447 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@]2(C=C(OC(C)=O)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808450 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(C=C(OC(C)=O)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808452 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@]2(C=C(OC(C)=O)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587808455 KK Annotated Mild COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1OC ZINC000587808458 KK Annotated Clean COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1OC ZINC000587808460 KK Annotated Clean COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1OC ZINC000587808463 KK Annotated Clean COc1cc(O)c(C(=O)c2ccccc2)cc1Cc1cc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)cc1OC ZINC000587808466 KK Annotated Clean COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808468 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808471 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808473 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808475 KK Annotated Anodyne COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587808538 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808612 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808615 KK Annotated Anodyne CCOC(=O)C(=O)C[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808617 KK Annotated Anodyne CCOC(=O)C(=O)C[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808620 KK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587808670 KK Annotated Anodyne COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587808676 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808677 KK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587808681 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808694 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808698 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587808701 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808733 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808737 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808743 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Oc3ccc(Oc4ccc(C=O)cc4)cc3)cc2)N1 ZINC000587808747 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808752 KK Annotated Mild COc1ccc([C@]2(/C=C\c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587808754 KK Annotated Clean COc1ccc([C@@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587808758 KK Annotated Clean C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808759 KK Annotated Mild COc1ccc([C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587808761 KK Annotated Clean C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808764 KK Annotated Mild COc1ccc([C@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587808765 KK Annotated Clean COc1ccc([C@]2(/C=C\c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587808769 KK Annotated Clean C=C1C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587808771 KK Annotated Mild COc1ccc([C@@]2(/C=C/c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 ZINC000587808773 KK Annotated Clean CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@]2(O)C1 ZINC000587808824 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@]2(O)C1 ZINC000587808825 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@]2(O)C1 ZINC000587808826 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@]2(O)C1 ZINC000587808827 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808850 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808851 KK Annotated Anodyne COc1ccc([C@]2(c3cccc(OC)c3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808852 KK Annotated Anodyne COc1ccc([C@@]2(c3cccc(OC)c3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587808853 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587808866 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587808867 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587808868 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587808869 KK Annotated Anodyne COc1cc(OC)c([C@]2(/C=C/c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587808882 KK Annotated Clean COc1cc(OC)c([C@]2(/C=C\c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587808883 KK Annotated Clean COc1cc(OC)c([C@]2(/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587808884 KK Annotated Clean COc1cc(OC)c([C@]2(/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587808885 KK Annotated Clean COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808926 KK Annotated Mild COc1cc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587808927 KK Annotated Mild COc1ccc(C(=O)C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808928 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808929 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808930 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587808931 KK Annotated Anodyne CCCCCCCCC/C(=C/C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587808962 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587808963 KK Annotated Mild CCCCCCCCC/C(=C/C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587808964 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)C(=O)O ZINC000587808965 KK Annotated Mild COc1cc(/C=C\[C@]2(/C=C/c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1 ZINC000587808966 KK Annotated Anodyne COc1cc(/C=C/C2(/C=C/c3cc(OC)cc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1 ZINC000587808967 KK Annotated Anodyne COc1cc(/C=C/C2(/C=C/c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1 ZINC000587808969 KK Annotated Anodyne COc1cc(/C=C\[C@]2(/C=C/c3cc(OC)cc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(OC)c1 ZINC000587808971 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587808985 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587808992 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587808997 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809003 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809009 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809014 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809017 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809022 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809049 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809068 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809070 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809072 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809078 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809089 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809092 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809096 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809120 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809123 KK Annotated Anodyne COCOc1ccc([C@@]2(c3cccc(OCOC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809125 KK Annotated Anodyne COCOc1ccc([C@]2(c3cccc(OCOC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809127 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587809136 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587809163 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587809164 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587809165 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587809166 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587809167 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587809168 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587809169 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587809170 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587809171 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587809172 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587809173 KK Annotated Anodyne COc1cc(/C=C\C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587809175 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O ZINC000587809176 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809186 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809189 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809192 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809195 KK Annotated Mild COc1cc(O)c([C@]2(CCc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809196 KK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809198 KK Annotated Clean COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809200 KK Annotated Clean COc1cc(O)c([C@]2(CCc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809202 KK Annotated Clean COc1cc(/C=C/[C@]2(CC(=O)/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587809216 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809217 KK Annotated Mild COc1cc(/C=C/[C@]2(CC(=O)/C=C/c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587809218 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809219 KK Annotated Mild COc1cc(/C=C/[C@]2(CC(=O)/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587809220 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809221 KK Annotated Mild COc1cc(/C=C/[C@]2(CC(=O)/C=C\c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587809222 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809223 KK Annotated Mild COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587809272 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809273 KK Annotated Mild COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587809274 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809275 KK Annotated Mild COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587809276 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809277 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809278 KK Annotated Mild COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587809279 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809281 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809282 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)cc3OC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809283 KK Annotated Anodyne COc1ccc(C(=O)C[C@]2(c3ccc(OC)cc3OC)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 ZINC000587809284 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587809303 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587809306 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587809310 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)c6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587809313 KK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1O ZINC000587809321 KK Annotated Anodyne COc1ccc(C=C2c3ccccc3C3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1O ZINC000587809322 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809378 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809380 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809383 KK Annotated Anodyne COc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809386 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809443 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809446 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@@]1(c2cccc(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809449 KK Annotated Anodyne CC[C@H](C(=O)c1cccc(OC)c1)[C@]1(c2cccc(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809454 KK Annotated Anodyne CCCCCCCCCCCC1(CCCCCCCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809476 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587809504 KK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587809506 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587809512 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587809518 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587809526 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809556 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809565 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809572 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(OC)cc1 ZINC000587809577 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809579 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(OC)cc1 ZINC000587809581 KK Annotated Anodyne COC(=O)[C@H](C[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(OC)cc1 ZINC000587809585 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809587 KK Annotated Anodyne COC(=O)[C@H](C[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(OC)cc1 ZINC000587809591 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809594 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@]4(C)N[C@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809600 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@]4(C)N[C@@H](C)Cc5cc(Br)c(F)cc54)CC[C@H]32)C1 ZINC000587809609 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809638 KK Annotated Mild COc1cc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1OC ZINC000587809641 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809645 KK Annotated Mild COc1cc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1OC ZINC000587809648 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809651 KK Annotated Mild COc1cc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1OC ZINC000587809652 KK Annotated Anodyne COc1cc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc(OC)c1OC ZINC000587809657 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809658 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809703 KK Annotated Mild COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587809705 KK Annotated Clean CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809707 KK Annotated Mild COc1cc(O)c([C@]2(CCc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587809709 KK Annotated Clean CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809710 KK Annotated Mild Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587809711 KK Annotated Anodyne COc1cc(O)c([C@]2(CCc3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587809712 KK Annotated Clean CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809713 KK Annotated Mild Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587809714 KK Annotated Anodyne COc1cc(O)c([C@@]2(CCc3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1OC ZINC000587809715 KK Annotated Clean Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587809717 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C ZINC000587809720 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@]12C ZINC000587809721 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@]12C ZINC000587809735 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]12C ZINC000587809738 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]12C ZINC000587809741 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809744 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809747 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809750 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809754 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809782 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809786 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809788 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809789 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809790 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809791 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809792 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809793 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809810 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809811 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809812 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587809813 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587809814 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587809815 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587809816 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C4=CCc5cc(OC(=O)c6ccccc6)ccc5[C@H]4CC[C@@]32C)N1 ZINC000587809817 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587809822 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587809823 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587809824 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587809825 KK Annotated Mild CCCC(=O)O[C@]1([C@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587809826 KK Annotated Mild CCCC(=O)O[C@]1([C@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587809827 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809913 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809932 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809935 KK Annotated Mild COc1cc(OC)c([C@]2(/C=C/c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587809938 KK Annotated Clean CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587809939 KK Annotated Mild COc1cc(OC)c([C@]2(/C=C\c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587809941 KK Annotated Clean COc1cc(OC)c([C@]2(/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587809944 KK Annotated Clean COc1cc(OC)c([C@]2(/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1OC ZINC000587809946 KK Annotated Clean CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809955 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809957 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@@]2(C=C(OC)C1=O)N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809959 KK Annotated Mild CCCCCCCCCCCC1=C(OC)[C@]2(C=C(OC)C1=O)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587809963 KK Annotated Mild COc1ccc(/C=C\[C@]2(c3c(O)cc(OC)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809989 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809990 KK Annotated Clean COc1ccc(/C=C/[C@]2(c3c(O)cc(OC)cc3OC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809993 KK Annotated Clean COc1ccc(/C=C\[C@]2(c3c(O)cc(OC)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809995 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587809997 KK Annotated Clean COc1ccc(/C=C/[C@]2(c3c(O)cc(OC)cc3OC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587809999 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810004 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2C(=O)[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810012 KK Annotated Clean CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810029 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810031 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810035 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810036 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810038 KK Annotated Anodyne CCCC(=O)O[C@]1([C@@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587810039 KK Annotated Mild CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810040 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587810042 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810045 KK Annotated Anodyne CCCC(=O)O[C@]1([C@@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587810046 KK Annotated Mild COc1ccc(C(=O)C[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810107 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810109 KK Annotated Anodyne COc1ccc(C(=O)C[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810113 KK Annotated Anodyne COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587810115 KK Annotated Mild COc1ccc(C(=O)C[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587810117 KK Annotated Anodyne COC1=C(OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587810118 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587810123 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CCCCCCCCCCO)C1=O ZINC000587810128 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810135 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810138 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810141 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810144 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810164 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810168 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810173 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587810177 KK Annotated Anodyne CCCCCCCCC/C(=C/C1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587810187 KK Annotated Mild CCCCCCCCC/C(=C/C1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587810189 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810191 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587810193 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810195 KK Annotated Mild CCCCCCCCC/C(=C\C1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(OC)=C(OC)C1=O)C(=O)O ZINC000587810196 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810202 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810209 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587810234 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587810238 KK Annotated Mild COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587810244 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587810248 KK Annotated Anodyne COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=CC(=O)[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@@H]5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000587810251 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587810253 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810255 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810257 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587810259 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587810262 KK Annotated Anodyne CCCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587810274 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587810275 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587810276 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587810277 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810308 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810309 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810310 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810311 KK Annotated Mild CCCC(=O)O[C@]1([C@@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587810312 KK Annotated Mild CCCC(=O)O[C@]1([C@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587810313 KK Annotated Mild CCCC(=O)O[C@]1([C@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587810314 KK Annotated Mild CCCC(=O)O[C@]1([C@@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587810315 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810320 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810321 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810322 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810323 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810326 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810327 KK Annotated Mild COc1ccc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587810348 KK Annotated Anodyne COc1ccc(/C=C/[C@@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587810349 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587810350 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc(O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC ZINC000587810351 KK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810381 KK Annotated Anodyne COc1ccc(OC)c([C@@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810383 KK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810384 KK Annotated Anodyne COc1ccc(OC)c([C@]2(c3ccc(C(=O)O)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587810386 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810458 KK Annotated Mild CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810459 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587810461 KK Annotated Anodyne CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810466 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810468 KK Annotated Mild CCCCCC[C@@]1(CCCCCCCCCCC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810471 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810475 KK Annotated Anodyne CCCCCC[C@]1(CCCCCCCCCCC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810478 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C\C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]1C2(C)C ZINC000587810621 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C\C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]1C2(C)C ZINC000587810641 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]1C2(C)C ZINC000587810651 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]1C2(C)C ZINC000587810663 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587810753 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587810756 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587810759 KK Annotated Anodyne COc1ccc(C(=O)C[C@@H]2C(=O)CC(C)(C)C[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587810761 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810772 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810774 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810777 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587810779 KK Annotated Mild CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810787 KK Annotated Mild CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810789 KK Annotated Mild CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810791 KK Annotated Mild CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587810793 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O ZINC000587810796 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O ZINC000587810798 KK Annotated Mild CCCCCCCCCCC1=C(C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O ZINC000587810800 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810801 KK Annotated Anodyne CCCCCCCCCCC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(OC)=C(OC)C1=O ZINC000587810802 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810803 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810806 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587810807 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@]12C ZINC000587810816 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@]12C ZINC000587810817 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@]12C ZINC000587810818 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(C)=O)CC[C@]23C)[C@@H]2CC[C@H]([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@]12C ZINC000587810819 KK Annotated Anodyne CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587810824 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587810825 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587810826 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587810827 KK Annotated Mild COc1ccc(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1OC ZINC000587810828 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1OC ZINC000587810829 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1OC ZINC000587810830 KK Annotated Anodyne COc1ccc(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)cc1OC ZINC000587810831 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810940 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810943 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810945 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587810947 KK Annotated Mild COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587810955 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587810957 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587810958 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000587810960 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811007 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811010 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811014 KK Annotated Anodyne CCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811018 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587811035 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587811036 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587811037 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587811039 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811040 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811042 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811045 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811046 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811075 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811078 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811080 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587811083 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587811093 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(Oc3ccccc3)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587811095 KK Annotated Anodyne COc1cc(/C=C/C2(/C=C/c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1 ZINC000587811103 KK Annotated Anodyne COc1cc(/C=C/C2(/C=C/c3cc(OC)cc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1 ZINC000587811105 KK Annotated Anodyne COc1cc(/C=C\[C@]2(/C=C/c3cc(OC)cc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1 ZINC000587811107 KK Annotated Anodyne COc1cc(/C=C\[C@]2(/C=C/c3cc(OC)cc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(OC)c1 ZINC000587811109 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811130 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811133 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811136 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811139 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811155 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811157 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811160 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811162 KK Annotated Mild CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]1C2(C)C ZINC000587811164 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C\C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]1C2(C)C ZINC000587811168 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C\C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]1C2(C)C ZINC000587811172 KK Annotated Anodyne CC(=O)O[C@@]12[C@H](OC(=O)/C=C(C)/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)[C@@]43N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]1C2(C)C ZINC000587811176 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC(C)=O)C1=O ZINC000587811196 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC(C)=O)C1=O ZINC000587811213 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC(C)=O)C1=O ZINC000587811214 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(OC(C)=O)C1=O ZINC000587811215 KK Annotated Mild CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811220 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811221 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811222 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811223 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587811250 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587811251 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587811252 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(-c3cccc(OCc4ccccc4)c3)cc2)N1 ZINC000587811253 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811254 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811255 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811256 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587811257 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811262 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811263 KK Annotated Anodyne COCOc1cccc([C@@]2(c3ccccc3OCOC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811264 KK Annotated Anodyne COCOc1cccc([C@]2(c3ccccc3OCOC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587811265 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811278 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811279 KK Annotated Anodyne CCOC(=O)C[C@@]1(c2cccc(OCc3ccccc3)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811280 KK Annotated Anodyne CCOC(=O)C[C@]1(c2cccc(OCc3ccccc3)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811281 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811327 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811328 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811329 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)c(OC)c1)[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811330 KK Annotated Anodyne COc1cc(/C=C/C(=O)C[C@]2(/C=C\c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587811359 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587811360 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C/c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587811361 KK Annotated Mild COc1cc(/C=C/C(=O)C[C@]2(/C=C\c3ccc(O)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O ZINC000587811362 KK Annotated Mild CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811371 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811372 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811373 KK Annotated Anodyne CC[C@H](C(C)=O)c1cc(OC)c(OC)cc1[C@@]1(c2ccc(OC)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587811374 KK Annotated Anodyne CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811454 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811455 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811501 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811504 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587811506 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811507 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587811508 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587811509 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811510 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587811511 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587811512 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587811517 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587811521 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587811524 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587811568 KK Annotated Anodyne CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587811569 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587811570 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587811571 KK Annotated Clean CCCCCCOC(=O)C1=Cc2cc(OC)c(O)c(O)c2[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 ZINC000587811572 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587811578 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587811582 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587811585 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587811588 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811589 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811590 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587811591 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811592 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)c3ccc(C(C)(C)C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811593 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587811594 KK Annotated Anodyne COC1(OC)CCC2=C(C[C@@H](C)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 ZINC000587811596 KK Annotated Anodyne C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811638 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811640 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811642 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811644 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811647 KK Annotated Mild C=CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811649 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811651 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811653 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811663 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811666 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811668 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587811670 KK Annotated Mild COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811673 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811674 KK Annotated Anodyne COc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811675 KK Annotated Anodyne COc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587811676 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@@H](C)Cc1ccc(F)c(Br)c14 ZINC000587811688 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@H](C)Cc1ccc(F)c(Br)c14 ZINC000587811689 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@H](C)Cc1ccc(F)c(Br)c14 ZINC000587811690 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@@H](C)Cc1ccc(F)c(Br)c14 ZINC000587811691 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811696 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811697 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811698 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811699 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587811700 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587811701 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587811702 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587811703 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(C=C(OC(C)=O)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811704 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@]2(C=C(OC(C)=O)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811705 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@@]2(C=C(OC(C)=O)C1=O)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811706 KK Annotated Mild CCCCCCCCCCCC1=C(OC(C)=O)[C@]2(C=C(OC(C)=O)C1=O)N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811707 KK Annotated Mild COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811759 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811760 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811761 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811762 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587811770 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587811777 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587811780 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587811782 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811802 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811805 KK Annotated Anodyne CCOC(=O)[C@@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811807 KK Annotated Anodyne CCOC(=O)[C@]1(CC(=O)c2ccc(OCc3ccccc3)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811810 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811818 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811821 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@@]1(c2ccc(OC)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811824 KK Annotated Anodyne CC[C@H](C(=O)c1ccc(OC)cc1)[C@]1(c2ccc(OC)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587811827 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587811846 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587811850 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587811853 KK Annotated Anodyne Cc1ccc(C(=O)[C@H](C)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C ZINC000587811855 KK Annotated Anodyne CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811895 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811898 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811902 KK Annotated Mild CCCCCCCCCCCC1=C(OC)C(=O)C=C(OC)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587811908 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC)C1=O ZINC000587811919 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC)C1=O ZINC000587811921 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC)C1=O ZINC000587811924 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC)C1=O ZINC000587811926 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811952 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811973 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811978 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587811982 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587811997 KK Annotated Anodyne COC1=C(OC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812005 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812006 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812007 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812008 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812009 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812011 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812014 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812044 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812045 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812046 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812047 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587812062 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587812063 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587812064 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587812065 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812080 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812081 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812082 KK Annotated Mild C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812083 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812090 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812091 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812092 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812093 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812098 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812099 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812100 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812101 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812106 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812107 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812108 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812109 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812110 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812111 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812112 KK Annotated Anodyne CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812113 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812118 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812119 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587812200 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587812201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587812202 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](CC(=O)c2ccccc2)c2ccccc2)(c2ccccc2)N1 ZINC000587812203 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812208 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812209 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812210 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812211 KK Annotated Mild CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812248 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812251 KK Annotated Anodyne COC1=C(OC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812275 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812276 KK Annotated Mild COC1=C(OC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812277 KK Annotated Mild COC1=C(OC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(CCCCCCCCCCO)=C(C)C1=O ZINC000587812278 KK Annotated Mild CCCCC(=O)O[C@]1([C@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587812293 KK Annotated Mild CCCCC(=O)O[C@]1([C@@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587812296 KK Annotated Mild CCCCC(=O)O[C@]1([C@]2(CO)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587812299 KK Annotated Mild CCCCC(=O)O[C@]1([C@@]2(CO)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587812302 KK Annotated Mild CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812304 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812308 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812312 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccccc2)CC(c2ccc(OC)cc2)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812315 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812317 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812321 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812327 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812332 KK Annotated Mild COCOc1ccc([C@]2(c3ccccc3OCOC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812335 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812338 KK Annotated Anodyne COCOc1ccc([C@@]2(c3ccccc3OCOC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812341 KK Annotated Anodyne COCOc1ccc([C@]2(c3ccccc3OCOC)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587812344 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812349 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812355 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812360 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(C=C(C)[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812367 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812449 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812451 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812452 KK Annotated Mild COC(=O)CCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812453 KK Annotated Anodyne COC(=O)CCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812454 KK Annotated Anodyne CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812455 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812457 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCC[C@@H]1C(=O)C(OC(C)=O)=C(C)C(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812459 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587812465 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587812467 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812468 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587812469 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-c2cccc(OCc3ccccc3)c2)N1 ZINC000587812470 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812471 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812474 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccccc3)cc2)(c2ccc(C(=O)c3ccc(Oc4ccccc4)cc3)cc2)N1 ZINC000587812476 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587812479 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587812484 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587812487 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CO)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587812491 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812504 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812505 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812506 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812507 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812508 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812509 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812510 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812511 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@]2(O)C1 ZINC000587812514 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@]2(O)C1 ZINC000587812515 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]2(O)C1 ZINC000587812516 KK Annotated Anodyne CC(=O)OCC1=C[C@H]2[C@@H]3C(C)(C)[C@]3(OC(=O)Cc3ccccc3)C[C@@H](C)[C@]2(O)[C@@H]2C=C(C)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]2(O)C1 ZINC000587812517 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587812518 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587812519 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587812550 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587812551 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587812552 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(-c3cccc(OCc4ccccc4)c3)c2)N1 ZINC000587812553 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587812562 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587812563 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587812564 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)(C(O)O)N1 ZINC000587812565 KK Annotated Anodyne CCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812588 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812589 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812590 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812591 KK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812612 KK Annotated Mild CCCCCCCCCCCC1(CCCCCCCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812613 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587812676 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587812677 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587812694 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587812695 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587812696 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCc6ccccc6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587812697 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812704 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812705 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812706 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)[C@@]4(C)CC[C@@H]32)C1 ZINC000587812707 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812712 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812713 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812714 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812715 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812720 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812721 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812722 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(O)cc2)(c2ccc(Oc3ccccc3)cc2)N1 ZINC000587812723 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812728 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812729 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812730 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587812731 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C\C)C2(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812732 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C/C)C2(C)C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812733 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C\C)C2(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812734 KK Annotated Mild C=CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C(C)=C/C)C2(C)C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587812735 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812756 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812757 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812758 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587812759 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587812772 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587812773 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587812774 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 ZINC000587812775 KK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812808 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812809 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812810 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587812811 KK Annotated Mild CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21)CC(OC)=CC4 ZINC000587812888 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21)CC(OC)=CC4 ZINC000587812889 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21)CC(OC)=CC4 ZINC000587812890 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21)CC(OC)=CC4 ZINC000587812891 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21)CC(OC)=CC4 ZINC000587812894 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21)CC(OC)=CC4 ZINC000587812897 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21)CC(OC)=CC4 ZINC000587812900 KK Annotated Anodyne CC[C@]12CC[C@@H]3C4=C(CC[C@H]3[C@@H]1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21)CC(OC)=CC4 ZINC000587812903 KK Annotated Anodyne CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812930 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812937 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812938 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812939 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587812940 KK Annotated Anodyne CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587812945 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813002 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813007 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813009 KK Annotated Mild C=C1C[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813014 KK Annotated Mild C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813027 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813034 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813037 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587813039 KK Annotated Anodyne CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587813044 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587813049 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587813055 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000587813061 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587813064 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587813069 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587813071 KK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813077 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813078 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813079 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813080 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587813085 KK Annotated Anodyne C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813087 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813090 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813093 KK Annotated Mild C=C1C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587813094 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813224 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813225 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813226 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813227 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813236 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813237 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813238 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587813239 KK Annotated Anodyne CCC(=O)O[C@]1([C@]2(COC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587813256 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587813259 KK Annotated Mild CCC(=O)O[C@]1([C@]2(COC(C)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587813263 KK Annotated Mild CCC(=O)O[C@]1([C@@]2(COC(C)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000587813266 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587813300 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587813301 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587813302 KK Annotated Mild CC(=O)OC1=C2CC[C@H]3[C@@H]4CC[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O ZINC000587813303 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813304 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813305 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813306 KK Annotated Mild CCCCCCCCCCCCC1=C(OC(C)=O)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813307 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813312 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813313 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813314 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813315 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587813336 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587813337 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587813338 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587813339 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813376 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813379 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813381 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813383 KK Annotated Mild Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)N[C@H](C)Cc6ccc(F)c(Br)c65)ccc4c3)c(C)ccc2c1 ZINC000587813387 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)N[C@@H](C)Cc6ccc(F)c(Br)c65)ccc4c3)c(C)ccc2c1 ZINC000587813389 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)N[C@@H](C)Cc6ccc(F)c(Br)c65)ccc4c3)c(C)ccc2c1 ZINC000587813390 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)N[C@H](C)Cc6ccc(F)c(Br)c65)ccc4c3)c(C)ccc2c1 ZINC000587813392 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813396 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813398 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813400 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813403 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813580 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813581 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813582 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](OC(=O)CCC6CCCC6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587813583 KK Annotated Anodyne C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813592 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813593 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813594 KK Annotated Mild C#CCC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587813595 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@@H](C)Cc1cc(Br)c(F)cc14 ZINC000587813623 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@@H](C)Cc1cc(Br)c(F)cc14 ZINC000587813624 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@H](C)Cc1cc(Br)c(F)cc14 ZINC000587813625 KK Annotated Anodyne CC(=O)O[C@H]1C[C@]2(C)[C@H](C(C)=O)CC[C@@H]2[C@H]2CCC3=C[C@]4(CC[C@]3(C)[C@H]12)N[C@H](C)Cc1cc(Br)c(F)cc14 ZINC000587813626 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813649 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813652 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813656 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)CC=C1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813659 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587813663 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587813667 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813668 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587813669 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813670 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587813671 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813672 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587813674 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813725 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587813726 KK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813727 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587813728 KK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813729 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587813730 KK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813731 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813733 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(Oc3ccc(-c4ccccc4)cc3)cc2)N1 ZINC000587813735 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813736 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813738 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813740 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813750 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813752 KK Annotated Mild CCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813754 KK Annotated Mild CCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813756 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813814 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587813815 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587813816 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587813817 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587813818 KK Annotated Clean CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813820 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813823 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813825 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813946 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813947 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813948 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587813949 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC(C)=O)C1=O ZINC000587813984 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC(C)=O)C1=O ZINC000587813985 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC(C)=O)C1=O ZINC000587813986 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(OC(C)=O)C1=O ZINC000587813987 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587813992 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587813993 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587813994 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(=O)c5ccccc5)CC[C@@H]43)C2)N1 ZINC000587813995 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587813997 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587814001 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814010 KK Annotated Anodyne C/C=C\c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C\C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814012 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814014 KK Annotated Anodyne C/C=C/c1ccccc1Oc1ccc(C2(c3ccc(Oc4ccccc4/C=C/C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587814016 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814057 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814060 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)N[C@H](C)Cc6cc(Br)c(F)cc65)ccc4c3)c(C)ccc2c1 ZINC000587814062 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814063 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@@]5(c6c(C)ccc7cc(C)ccc67)N[C@@H](C)Cc6cc(Br)c(F)cc65)ccc4c3)c(C)ccc2c1 ZINC000587814064 KK Annotated Anodyne CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814065 KK Annotated Anodyne Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)N[C@@H](C)Cc6cc(Br)c(F)cc65)ccc4c3)c(C)ccc2c1 ZINC000587814066 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814067 KK Annotated Mild Cc1ccc2c(C(=O)c3ccc4cc([C@]5(c6c(C)ccc7cc(C)ccc67)N[C@H](C)Cc6cc(Br)c(F)cc65)ccc4c3)c(C)ccc2c1 ZINC000587814068 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814069 KK Annotated Mild C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814072 KK Annotated Mild C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814076 KK Annotated Mild CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814088 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814091 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814095 KK Annotated Anodyne CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814098 KK Annotated Anodyne CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814135 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814138 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814141 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814142 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587814154 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814155 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587814156 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814157 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587814158 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814159 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CCc3ccccc3)cc2)(c2cccc3ccccc23)N1 ZINC000587814160 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814162 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814170 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814171 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814172 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814173 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587814174 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587814175 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814176 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814177 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814178 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814179 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814272 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814273 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814274 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814275 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587814276 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587814277 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587814278 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587814279 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587814307 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@H](CC[C@H]2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC3=CC(=O)CC[C@]3(C)[C@H]12 ZINC000587814308 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587814309 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587814312 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587814315 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587814317 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@@H]3CC[C@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814337 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814338 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814339 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814340 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@@H]3CC[C@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814341 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814342 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814343 KK Annotated Mild C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587814346 KK Annotated Mild CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814349 KK Annotated Anodyne CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814352 KK Annotated Anodyne CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814354 KK Annotated Anodyne CCCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814355 KK Annotated Anodyne CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587814367 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587814370 KK Annotated Mild CCCC/C=C\CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587814372 KK Annotated Mild CCCC/C=C/CCCCCCCCC[C@@H]1C(=O)C(OC)=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587814375 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587814386 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587814390 KK Annotated Mild CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587814393 KK Annotated Mild CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000587814396 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814398 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814401 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814404 KK Annotated Mild CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814405 KK Annotated Mild CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814447 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814448 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814450 KK Annotated Anodyne CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587814451 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587814452 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587814453 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587814456 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@](O)(COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)N1 ZINC000587814457 KK Annotated Anodyne CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814502 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814503 KK Annotated Mild CCCC/C=C\CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814504 KK Annotated Mild CCCC/C=C/CCCCCCCCCCCCCC1=C(OC(C)=O)C(=O)C(C)=C(OC(C)=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587814505 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814550 KK Annotated Mild CCCCCCCCCCCCCC1(CCCCCCCCCCCCC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814551 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814596 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814597 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814598 KK Annotated Mild CCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814599 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814628 KK Annotated Mild CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587814629 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587814676 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587814677 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587814678 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587814679 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814692 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814693 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814694 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587814695 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814932 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814934 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814936 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587814938 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587814976 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587814993 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587814996 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587814998 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(/C=C/C=C/c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587815050 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C=C\c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587815051 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C=C\c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587815052 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(/C=C/C=C/c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587815053 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587815144 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587815145 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587815146 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587815147 KK Annotated Anodyne CCCCCCCCCCCCCCCCC[C@@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815160 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(CC(=O)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815161 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815162 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(CC(=O)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587815163 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815587 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815588 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815590 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(-c3ccccc3)cc2)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587815592 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587815735 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587815736 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587815737 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587815738 KK Annotated Clean Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815739 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815740 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815741 KK Annotated Anodyne Cc1cc(C(C)(C)C)cc(C)c1C(=O)c1ccc([C@]2(c3c(C)cc(C(C)(C)C)cc3C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587815742 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815751 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815752 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815753 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)c2ccccc2)(c2ccc(C(=O)C(=O)c3ccccc3)cc2)N1 ZINC000587815754 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587815827 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587815828 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587815829 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cccc(C(=O)c3ccccc3)c2)N1 ZINC000587815830 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587816011 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccc(C(C)(C)C)cc2)(c2ccc(C(C)(C)C)cc2)N1 ZINC000587816012 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C=C\c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587816207 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(/C=C/C=C/c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587816208 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(/C=C/C=C/c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587816209 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C=C\c2ccccc2)(/C=C/C=C/c2ccccc2)N1 ZINC000587816210 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587816271 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587816272 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587816273 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(C(=O)c3ccccc3)cc2)N1 ZINC000587816274 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816279 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816280 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816281 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816282 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816415 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816416 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816417 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(CCc3ccccc3)cc2)N1 ZINC000587816418 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816629 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816630 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816631 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816632 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587816653 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587816654 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587816655 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)c2ccc(C(=O)C(=O)c3ccccc3)cc2)(c2ccccc2)N1 ZINC000587816656 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816847 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816848 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816849 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816850 KK Annotated Clean CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c23)C(C)(C)CCC1=O ZINC000587816923 KK 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=C/C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c23)C(C)(C)CCC1=O ZINC000587816924 KK 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=C\C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c23)C(C)(C)CCC1=O ZINC000587816925 KK 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=C/C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2ccc(F)c(Br)c23)C(C)(C)CCC1=O ZINC000587816926 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816955 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816956 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816957 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587816958 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816983 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816984 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816985 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587816986 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587816987 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587816988 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587816989 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587816990 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc23)C(C)(C)CCC1=O ZINC000587817055 KK 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=C\C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc23)C(C)(C)CCC1=O ZINC000587817056 KK 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=C\C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc23)C(C)(C)CCC1=O ZINC000587817057 KK 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=C/C2=C(C)[C@]3(CCC2(C)C)N[C@H](C)Cc2cc(Br)c(F)cc23)C(C)(C)CCC1=O ZINC000587817058 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CC[C@@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817095 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817096 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817097 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817098 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817181 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817182 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817183 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CC(=O)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587817184 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817195 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817196 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817197 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817198 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817231 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817234 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817238 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587817241 KK Annotated Anodyne C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587817319 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587817320 KK Annotated Mild C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587817321 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587817322 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817339 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817340 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817341 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817342 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817499 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817500 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817501 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587817502 KK Annotated Anodyne C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817690 KK Annotated Reactive C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817691 KK Annotated Reactive C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817692 KK Annotated Reactive C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587817693 KK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587817736 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587817739 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587817742 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817743 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817744 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587817745 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817746 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@@H]5[C@H]4CC[C@@]32C)N1 ZINC000587817748 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818006 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818007 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818008 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818009 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818018 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818019 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818020 KK Annotated Mild CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587818021 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818107 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818108 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818109 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818110 KK Annotated Clean CC1=C/C(=C2/C=C(C)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587818134 KK Annotated Mild CC1=C/C(=C2\C=C(C)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587818135 KK Annotated Mild CC1=C/C(=C2/C=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587818136 KK Annotated Mild CC1=C/C(=C2\C=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587818137 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587818154 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587818155 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587818156 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587818157 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587818173 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587818174 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587818175 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587818176 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818332 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818333 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818334 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587818335 KK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587818352 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587818353 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587818354 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587818355 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818684 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818685 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818686 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818688 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818689 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818691 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818694 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587818697 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818700 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818704 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818705 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4C=CC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587818706 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818716 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818718 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818720 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587818723 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818808 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818810 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818813 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587818815 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2C1c2ccccc2Cc2ccccc21 ZINC000587818826 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@H]2C1c2ccccc2Cc2ccccc21 ZINC000587818837 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C1c2ccccc2Cc2ccccc21 ZINC000587818841 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)[C@H]2C1c2ccccc2Cc2ccccc21 ZINC000587818845 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587818862 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587818863 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587818864 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587818865 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587818922 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587818923 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587818924 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587818925 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819031 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819036 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819200 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H]4CC[C@]5(C=C4CC[C@H]3[C@@H]1CCC2=O)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CC[C@]1(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]21 ZINC000587819234 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CC[C@]1(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]21 ZINC000587819235 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)CC[C@]1(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]21 ZINC000587819236 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)CC[C@]1(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]21 ZINC000587819237 KK Annotated Anodyne C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819392 KK Annotated Reactive C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819393 KK Annotated Reactive C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819394 KK Annotated Reactive C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587819395 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@H]2[C@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587819463 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@@H]2[C@@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587819466 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@@H]2[C@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587819467 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)CC(=O)[C@H]2[C@@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587819468 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587819515 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587819517 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587819520 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587819524 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819556 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819557 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819558 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587819559 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819560 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819561 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819562 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819563 KK Annotated Anodyne C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819564 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@@H](C)O)[C@@]3(C)CC2)N1 ZINC000587819565 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@@H](C)O)[C@]3(C)CC2)N1 ZINC000587819566 KK Annotated Anodyne C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819567 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587819568 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587819569 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587819570 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587819571 KK Annotated Anodyne C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587819654 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587819655 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587819656 KK Annotated Mild C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C=CC(=O)C=C12 ZINC000587819657 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819698 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819699 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819823 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819824 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587819825 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819827 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819829 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587819831 KK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c([C@]2(CCCCC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587819845 KK Annotated Clean CCCCCC(=O)c1c(O)cc(O)c([C@@]2(CCCCC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587819847 KK Annotated Clean CCCCCC(=O)c1c(O)cc(O)c([C@@]2(CCCCC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587819849 KK Annotated Clean CCCCCC(=O)c1c(O)cc(O)c([C@]2(CCCCC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587819852 KK Annotated Clean CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC(=O)C=C12 ZINC000587819866 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC(=O)C=C12 ZINC000587819868 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC(=O)C=C12 ZINC000587819871 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2CCC(=O)C=C12 ZINC000587819873 KK Annotated Mild Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587820186 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587820193 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587820196 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587820199 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820259 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820262 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@@]61N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820266 KK Annotated Clean Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c5c5c7c(c(O)cc(CO)c7c1c2c5c34)[C@]61N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820270 KK Annotated Clean C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587820297 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587820299 KK Annotated Mild C/C=C1\C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587820346 KK Annotated Mild C/C=C1/C(=O)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587820349 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820365 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820372 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820373 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820376 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820380 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820382 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820383 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820384 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587820386 KK Annotated Mild CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820387 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820392 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587820396 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC=C4[C@@]3(C)CC[C@@]3(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@H](C)C2=O)N1 ZINC000587820570 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC=C4[C@@]3(C)CC[C@@]3(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@H](C)C2=O)N1 ZINC000587820571 KK Annotated Anodyne C[C@@H]1C(=O)[C@]2(C=C3C1=CC=C1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]13C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587820572 KK Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C=C3C1=CC=C1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]13C)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587820573 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@@H]1CC[C@@]2(C)O ZINC000587820822 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@H]1CC[C@@]2(C)O ZINC000587820823 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@@H]1CC[C@]2(C)O ZINC000587820824 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@H]1CC[C@]2(C)O ZINC000587820825 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821002 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821004 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821007 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587821009 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587821288 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587821289 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587821290 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587821291 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587821308 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587821309 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587821310 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]1[C@H]1[C@@H]3C=C[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000587821311 KK Annotated Anodyne C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587821346 KK Annotated Mild C[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@]4(C)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000587821347 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587821348 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N1 ZINC000587821349 KK Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821458 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821459 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821460 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821461 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821462 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821463 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821464 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821465 KK Annotated Anodyne CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821567 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821570 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821574 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821577 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821581 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821585 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821588 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821592 KK Annotated Mild CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCC/C=C/C(=O)O ZINC000587821595 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCC/C=C\C(=O)O ZINC000587821606 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCC/C=C\C(=O)O ZINC000587821608 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCC/C=C/C(=O)O ZINC000587821611 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821614 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821618 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821620 KK Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821621 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821622 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821623 KK Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821624 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587821625 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821694 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821704 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821708 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587821712 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821894 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821897 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821901 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587821904 KK Annotated Mild CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)O ZINC000587821953 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)O ZINC000587821958 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)O ZINC000587821961 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)O ZINC000587821963 KK Annotated Anodyne CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822022 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822026 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822028 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587822029 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822042 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822043 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822044 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822045 KK Annotated Anodyne CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC(=O)C=C12 ZINC000587822131 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC(=O)C=C12 ZINC000587822133 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC(=O)C=C12 ZINC000587822135 KK Annotated Mild CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2CCC(=O)C=C12 ZINC000587822137 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587822159 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587822164 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C/C=C\CCCC(=O)O ZINC000587822168 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587822169 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C/C=C/CCCC(=O)O ZINC000587822170 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C/C=C\CCCC(=O)O ZINC000587822171 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1C/C=C/CCCC(=O)O ZINC000587822172 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587822173 KK Annotated Anodyne C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822192 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822194 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822196 KK Annotated Mild C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822197 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587822316 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587822317 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587822318 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587822319 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@@H]1CC[C@@]2(C)O ZINC000587822355 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@H]1CC[C@@]2(C)O ZINC000587822358 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@@H]1CC[C@]2(C)O ZINC000587822361 KK Annotated Anodyne CC[C@]12CC[C@@H]3[C@H](CCC4=C[C@]5(CC[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@H]1CC[C@]2(C)O ZINC000587822363 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587822407 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587822410 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587822413 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@](C)(O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587822416 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587822418 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587822420 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587822422 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587822424 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587822445 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587822448 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587822451 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000587822454 KK Annotated Mild CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822556 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822559 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822562 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822564 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822575 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822578 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822581 KK Annotated Anodyne CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587822584 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C/C=C\CCCC(=O)O ZINC000587822736 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C/C=C/CCCC(=O)O ZINC000587822737 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C/C=C/CCCC(=O)O ZINC000587822738 KK Annotated Anodyne CCCCCC(=O)CC[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1C/C=C\CCCC(=O)O ZINC000587822739 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822773 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822775 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822776 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587822778 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@@H]2C1c2ccccc2Cc2ccccc21 ZINC000587822825 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)[C@H]2C1c2ccccc2Cc2ccccc21 ZINC000587822826 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@H]2C1c2ccccc2Cc2ccccc21 ZINC000587822828 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)[C@@H]2C1c2ccccc2Cc2ccccc21 ZINC000587822830 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822836 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822839 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822842 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](C(=O)CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587822845 KK Annotated Anodyne CCCCCC(=O)c1c(O)cc(O)c([C@]2(CCCCC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587822861 KK Annotated Clean CCCCCC(=O)c1c(O)cc(O)c([C@@]2(CCCCC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587822863 KK Annotated Clean CCCCCC(=O)c1c(O)cc(O)c([C@@]2(CCCCC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587822865 KK Annotated Clean CCCCCC(=O)c1c(O)cc(O)c([C@]2(CCCCC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587822867 KK Annotated Clean CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587822964 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587822967 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587822970 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587822973 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587822977 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587822979 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587822981 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/CCc2ccc(O)c(O)c2)(CCc2ccc(O)c(O)c2)N1 ZINC000587822983 KK Annotated Clean CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587823090 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587823093 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587823096 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587823099 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(=CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823122 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(=CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823129 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823151 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C(C)(C)C)=CC(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823156 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823247 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587823257 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823258 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587823259 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823260 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587823261 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823262 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587823263 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)OC ZINC000587823275 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)OC ZINC000587823282 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)OC ZINC000587823285 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCCCCC(=O)OC ZINC000587823288 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCC/C=C/C(=O)O ZINC000587823290 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCC/C=C/C(=O)O ZINC000587823291 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCC/C=C\C(=O)O ZINC000587823293 KK Annotated Anodyne CCCC[C@H](C)C[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1CCCC/C=C\C(=O)O ZINC000587823295 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(=CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823296 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(=CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823298 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823318 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823320 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823321 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587823323 KK Annotated Mild CC1=C/C(=C2\C=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587823324 KK Annotated Mild CC1=C/C(=C2/C=C(C)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587823326 KK Annotated Mild CC1=C/C(=C2/C=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587823328 KK Annotated Mild CC1=C/C(=C2\C=C(C)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O ZINC000587823329 KK Annotated Mild CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)OC ZINC000587823524 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)OC ZINC000587823526 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)OC ZINC000587823529 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)OC ZINC000587823533 KK Annotated Anodyne CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823556 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823558 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823560 KK Annotated Mild CCCCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O ZINC000587823562 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823583 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823585 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823587 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 ZINC000587823589 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823626 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C(C)(C)C)=CC(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C=C2C(C)(C)C ZINC000587823629 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587823654 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587823656 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587823659 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3CCC3=C5CC(C)(C)CC[C@]5(C)CC[C@]34C)C2(C)C)N1 ZINC000587823661 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587823673 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587823674 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587823675 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=O)(c2ccccc2)N1 ZINC000587823676 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823677 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823678 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823679 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823680 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823687 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823689 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1C(=O)[C@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823691 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1C(=O)[C@@H]2CC1CCC(C(C)(C)C)CC1 ZINC000587823692 KK Annotated Clean CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823733 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823734 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823735 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823736 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823738 KK Annotated Mild CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823741 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823744 KK Annotated Mild CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587823748 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823776 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823779 KK Annotated Mild CCCCCCCC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823782 KK Annotated Mild CCCCCCCC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587823784 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587823833 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587823835 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823837 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587823838 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H](CC1CCC(C(C)(C)C)CC1)C(=O)c1ccccc12 ZINC000587823839 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823840 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823842 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823843 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823917 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823918 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823919 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587823920 KK Annotated Anodyne CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824019 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824022 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824025 KK Annotated Mild CCCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824027 KK Annotated Mild CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824048 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824051 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824054 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824057 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000587824085 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000587824088 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824159 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824160 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824163 KK Annotated Anodyne CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824166 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587824203 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@]3(C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587824206 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587824209 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@]3(C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587824213 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)O ZINC000587824264 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C\[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)O ZINC000587824266 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)O ZINC000587824268 KK Annotated Anodyne CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1CCCCCCC(=O)O ZINC000587824270 KK Annotated Anodyne C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824271 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@@H](C)O)[C@@]3(C)CC2)N1 ZINC000587824272 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@@H]4[C@H](CC[C@@]5(C)[C@@H]4CC[C@]5(O)[C@@H](C)O)[C@]3(C)CC2)N1 ZINC000587824273 KK Annotated Anodyne C[C@H](O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824274 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824303 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824304 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824305 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824306 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824307 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824308 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824309 KK Annotated Anodyne CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3C(=O)C[C@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824310 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587824343 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587824344 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587824345 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC(=C(c3ccc(O)c(C(=O)O)c3)c3ccc(O)c(C(=O)O)c3)C=C2C(=O)O)N1 ZINC000587824346 KK Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824397 KK Annotated Mild C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824398 KK Annotated Mild C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824400 KK Annotated Mild C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587824404 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587824483 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)([C@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587824486 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587824489 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)([C@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587824493 KK Annotated Anodyne CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824657 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824658 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824659 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)CC(=O)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587824660 KK Annotated Mild CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587824691 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587824692 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587824693 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587824694 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824743 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824744 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824745 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587824746 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824821 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824822 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824823 KK Annotated Mild CCCCCCCCCCC[C@@H]1C(=O)C(=O)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O ZINC000587824824 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000587824825 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(c1ccccc1)=C(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000587824826 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@@H]2[C@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587824843 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@H]2[C@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587824844 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@@H]2[C@@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587824845 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)CC(=O)[C@H]2[C@@H](CC(=O)c2ccccc2)c2ccccc2)N1 ZINC000587824846 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587824893 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587824894 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587824895 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587824896 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(C)O)[C@@]3(C)C[C@H]2C=O)N1 ZINC000587824967 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(C)O)[C@@]3(C)C[C@@H]2C=O)N1 ZINC000587824968 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]4[C@@]3(C)C[C@H]2C=O)N1 ZINC000587824969 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]4[C@@]3(C)C[C@@H]2C=O)N1 ZINC000587824970 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587825015 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587825016 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587825066 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587825067 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825090 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825091 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825092 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825093 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825157 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587825159 KK Annotated Mild Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825160 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587825161 KK Annotated Mild Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825162 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587825163 KK Annotated Mild Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587825164 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587825165 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587825167 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587825169 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587825172 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587825174 KK Annotated Mild CCCCC/C=C/C=C1\[C@@H](C/C=C\CCCC(=O)O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825195 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C/CCCC(=O)O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825198 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C\CCCC(=O)O)C=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825201 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C/CCCC(=O)O)C=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825204 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(C)O)[C@@]3(C)C[C@H]2C=O)N1 ZINC000587825352 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(C)O)[C@@]3(C)C[C@@H]2C=O)N1 ZINC000587825353 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]4[C@@]3(C)C[C@H]2C=O)N1 ZINC000587825354 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@H]4[C@@H]5CC[C@](C)(O)[C@@]5(C)CC[C@H]4[C@@]3(C)C[C@@H]2C=O)N1 ZINC000587825355 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825406 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825407 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825408 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825409 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825422 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825423 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825424 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc3c4ccc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587825425 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587825484 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587825485 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587825486 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587825487 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)/C(=C/C=C\c1ccco1)CCC/C2=C\C=C/c1ccco1 ZINC000587825540 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\C=C\c1ccco1)CCC/C2=C\C=C\c1ccco1 ZINC000587825541 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/C=C\c1ccco1)CCC/C2=C\C=C\c1ccco1 ZINC000587825542 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\C=C\c1ccco1)CCC/C2=C\C=C/c1ccco1 ZINC000587825543 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587825544 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587825545 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587825546 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587825547 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587825552 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587825553 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587825554 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587825555 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587825667 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587825668 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587825669 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587825670 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)([C@@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587825671 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)([C@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587825672 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)([C@@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587825673 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)([C@H](O)c2ccc(C(C)(C)C)cc2)N1 ZINC000587825674 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825730 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825733 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825736 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5[C@@H](O)C[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825740 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@]1(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587825777 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587825778 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587825779 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587825780 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@@]1(C(C)C)N[C@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587825781 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@@]1(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587825782 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587825783 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@]1(C(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c31)C2=O ZINC000587825784 KK Annotated Anodyne CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825803 KK Annotated Mild Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825808 KK Annotated Clean CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825809 KK Annotated Mild Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825810 KK Annotated Clean CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825811 KK Annotated Mild CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587825812 KK Annotated Mild Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825814 KK Annotated Clean Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c56)c41)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587825815 KK Annotated Clean Cc1coc2c1C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587825923 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587825924 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587825925 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587825926 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825987 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825988 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825989 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587825990 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587826025 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587826026 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)([C@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587826028 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)([C@@H](O)c2ccc(-c3ccccc3)cc2)N1 ZINC000587826030 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587826049 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587826052 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587826054 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587826058 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826137 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826138 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826139 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587826140 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C([C@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587826161 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C([C@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587826162 KK Annotated Mild CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587826163 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587826164 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587826165 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587826166 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587826179 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587826180 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587826181 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587826182 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826183 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826184 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826185 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587826186 KK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587826199 KK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587826200 KK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587826201 KK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587826202 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCCC2(C)C ZINC000587826243 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCCC2(C)C ZINC000587826244 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCCC2(C)C ZINC000587826245 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCCC2(C)C ZINC000587826246 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587826263 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587826264 KK Annotated Anodyne CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587826265 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587826266 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826295 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826296 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826298 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826301 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587826311 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587826312 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587826314 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587826316 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C2(C)C)N1 ZINC000587826334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C2(C)C)N1 ZINC000587826337 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C2(C)C)N1 ZINC000587826342 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C2(C)C)N1 ZINC000587826347 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587826389 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587826392 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587826395 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587826396 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587826399 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587826401 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587826405 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587826414 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587826416 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587826418 KK Annotated Anodyne C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CCC4=C3C=C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826443 KK Annotated Mild C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CCC4=C3C=C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826456 KK Annotated Mild C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CCC4=C3C=C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826461 KK Annotated Mild C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CCC4=C3C=C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587826465 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc3ccccc3cc1C(=O)c1cc3ccccc3cc12 ZINC000587826488 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc3ccccc3cc1C(=O)c1cc3ccccc3cc12 ZINC000587826490 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826555 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826556 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826557 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587826558 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587826615 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587826616 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587826617 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587826618 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587826635 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587826636 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587826637 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)c1 ZINC000587826638 KK Annotated Anodyne CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587826735 KK Annotated Mild CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587826740 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587826745 KK Annotated Mild CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587826748 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587826765 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587826766 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587826767 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587826768 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(=C1c3ccccc3C(=O)c3ccccc31)c1ccccc12 ZINC000587826781 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ccccc1C(=C1c3ccccc3C(=O)c3ccccc31)c1ccccc12 ZINC000587826786 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587826864 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587826869 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587826872 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587826874 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C=C1C(=CC=C3[C@@]1(C)CC[C@@]1(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]31C)[C@H]2C ZINC000587826923 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C=C1C(=CC=C3[C@@]1(C)CC[C@@]1(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]31C)[C@H]2C ZINC000587826925 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826928 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587826931 KK Annotated Mild CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587827080 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587827081 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587827082 KK Annotated Anodyne CCCCC[C@H](O)c1ccc([C@H]2CC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@H]2CCCCCCC(=O)O)cc1 ZINC000587827083 KK Annotated Anodyne CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587827239 KK Annotated Mild CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587827242 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587827246 KK Annotated Mild CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587827250 KK Annotated Mild COC(=O)c1ccc(COc2c(OC)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587827277 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587827280 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587827282 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587827283 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587827442 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587827443 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587827444 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587827445 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827450 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827451 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827452 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827453 KK Annotated Anodyne C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000587827458 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]3(C)C[C@H](O)[C@H](O)C[C@@H]23)N1 ZINC000587827459 KK Annotated Anodyne C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000587827460 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]3(C)C[C@H](O)[C@H](O)C[C@@H]23)N1 ZINC000587827461 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827508 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827509 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827510 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827511 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587827516 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587827517 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587827518 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587827519 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@]1(c2c(O)oc(CO)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827580 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2c(O)oc(CO)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827581 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2c(O)oc(CO)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827582 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2c(O)oc(CO)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587827583 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C=C1C(=CC=C3[C@@]1(C)CC[C@@]1(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]31C)[C@H]2C ZINC000587827641 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C=C1C(=CC=C3[C@@]1(C)CC[C@@]1(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]31C)[C@H]2C ZINC000587827642 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587827643 KK Annotated Mild C[C@H]1C2=CC=C3[C@@](C)(CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]34C)C2=CC(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587827644 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587827681 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587827682 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587827683 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827772 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827773 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827774 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CC[C@H](O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587827775 KK Annotated Anodyne C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587827780 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587827781 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587827782 KK Annotated Mild C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587827783 KK Annotated Mild CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827864 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827865 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827866 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587827867 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587827932 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587827937 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587827938 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587827939 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@]34CC[C@H]5[C@@](C)(CCC[C@@]5(C)C(=O)O)[C@@H]3CC[C@@]2(C)C4)N1 ZINC000587827940 KK Annotated Anodyne C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587828057 KK Annotated Mild C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587828058 KK Annotated Mild C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587828059 KK Annotated Mild C#C[C@]1(O)C=C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@@H]4[C@H]3CC[C@@]21CC)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587828060 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587828069 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587828070 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587828071 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)O)N1 ZINC000587828072 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828108 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828110 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828113 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828116 KK Annotated Mild COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587828119 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587828121 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587828122 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587828124 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828226 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828227 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828247 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828248 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828249 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828250 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828287 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828288 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828289 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc3c(cc12)C(=O)c1ccccc1C3=O ZINC000587828293 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587828326 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828329 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587828330 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587828333 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587828337 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@@H]23 ZINC000587828486 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@@H]23 ZINC000587828487 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@H]23 ZINC000587828491 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@H]23 ZINC000587828495 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828499 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828501 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828503 KK Annotated Mild Cc1coc2c1[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587828514 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587828515 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587828516 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587828517 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828522 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828523 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828524 KK Annotated Anodyne CC(=O)C[C@H](c1ccco1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587828525 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H]2CC[C@H]3[C@]2(C)CC[C@H]2[C@@]4(C)CCC(=O)C=C4CC[C@]32C)N1 ZINC000587828549 KK Annotated Mild CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C)(C)[C@@H]1CC3 ZINC000587828594 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)C(C)(C)[C@@H]1CC3 ZINC000587828597 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C)(C)[C@@H]1CC3 ZINC000587828598 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)C(C)(C)[C@@H]1CC3 ZINC000587828600 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]3(C)C[C@H](O)[C@H](O)C[C@@H]23)N1 ZINC000587828635 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]3(C)C[C@H](O)[C@H](O)C[C@@H]23)N1 ZINC000587828639 KK Annotated Anodyne C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000587828640 KK Annotated Anodyne C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=C[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000587828650 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587828707 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587828711 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587828716 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@@]1(C(=O)C(C)C)C2=O ZINC000587828720 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828732 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828736 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828743 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587828748 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587828813 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587828814 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587828815 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587828816 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828902 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828903 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828904 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828905 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828974 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828975 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@@]1(c2ccc(O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828976 KK Annotated Anodyne CCCCc1oc2ccccc2c1[C@]1(c2ccc(O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587828977 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587829006 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587829007 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587829008 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)o1 ZINC000587829009 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C2(C)C)N1 ZINC000587829047 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C2(C)C)N1 ZINC000587829048 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@]3(C)[C@@H]4[C@@H](O)CC5=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@]5(C)[C@@]4(C)CC[C@H]3C2(C)C)N1 ZINC000587829049 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@H](CC[C@@]4(C)[C@H]3[C@@H](O)CC3=C([C@H](C)C[C@H](O)[C@@H](O)C(C)(C)O)CC[C@@]34C)C2(C)C)N1 ZINC000587829050 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C([C@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587829070 KK Annotated Mild CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C([C@@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587829072 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C([C@@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587829074 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C([C@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587829076 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@]4(C)[C@@H](CC[C@@]5(C)[C@H](C(=O)CO)CC[C@@H]54)[C@@]3(C)CC2)N1 ZINC000587829088 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@]4(C)[C@H]5CC[C@@H](C(=O)CO)[C@@]5(C)CC[C@H]4[C@@]3(C)CC2)N1 ZINC000587829090 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@]4(C)[C@@H](CC[C@@]5(C)[C@H](C(=O)CO)CC[C@@H]54)[C@@]3(C)CC2)N1 ZINC000587829092 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587829093 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@]4(C)[C@H]5CC[C@@H](C(=O)CO)[C@@]5(C)CC[C@H]4[C@@]3(C)CC2)N1 ZINC000587829094 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587829095 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587829098 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6CC(C)(C)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2C)N1 ZINC000587829101 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829146 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829148 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829150 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829152 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587829159 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587829161 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587829162 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CCCC(=O)O)cc2)(c2ccccc2C(=O)O)N1 ZINC000587829164 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(=C1c3ccccc3C(=O)c3ccccc31)c1ccccc12 ZINC000587829176 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ccccc1C(=C1c3ccccc3C(=O)c3ccccc31)c1ccccc12 ZINC000587829180 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829254 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829255 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829256 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587829257 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587829292 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829293 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587829294 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587829295 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829296 KK Annotated Anodyne COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)c1 ZINC000587829297 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829298 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@@H]23 ZINC000587829299 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829300 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@H]23 ZINC000587829302 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@H]23 ZINC000587829304 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@]1(C)[C@H](CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]431)[C@@]13COC(=O)C[C@@H]1OC(C)(C)[C@@H]23 ZINC000587829307 KK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829312 KK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829314 KK Annotated Anodyne COc1cccc(/C=C\c2oc3ccc(O)cc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829315 KK Annotated Anodyne COc1cccc(/C=C/c2oc3ccc(O)cc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587829316 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587829355 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587829358 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587829360 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C(C)(C)O[C@H]4CC(=O)OC[C@]43[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@]54[C@@]32C)N1 ZINC000587829364 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587829420 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587829424 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587829429 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@@H]2[C@@H]3CC[C@@]3(C)[C@H]2CC[C@]3(C)O)N1 ZINC000587829433 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@]4(C)[C@H]5CC[C@@H](C(=O)CO)[C@@]5(C)CC[C@H]4[C@@]3(C)CC2)N1 ZINC000587829475 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@]4(C)[C@@H](CC[C@@]5(C)[C@H](C(=O)CO)CC[C@@H]54)[C@@]3(C)CC2)N1 ZINC000587829476 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@]4(C)[C@@H](CC[C@@]5(C)[C@H](C(=O)CO)CC[C@@H]54)[C@@]3(C)CC2)N1 ZINC000587829477 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@]4(C)[C@H]5CC[C@@H](C(=O)CO)[C@@]5(C)CC[C@H]4[C@@]3(C)CC2)N1 ZINC000587829478 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@]1(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587829586 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@@]1(C(C)C)N[C@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587829587 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@@]1(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587829588 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1([C@]1(C(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc31)C2=O ZINC000587829589 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C\CCCC(=O)O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829596 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C/CCCC(=O)O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829597 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C\CCCC(=O)O)C=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829598 KK Annotated Anodyne CCCCC/C=C/C=C1\[C@@H](C/C=C/CCCC(=O)O)C=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587829599 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829675 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829676 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829679 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@H](CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587829680 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587829803 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587829805 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587829807 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587829810 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@]1(c2c(O)oc(CO)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829860 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2c(O)oc(CO)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829864 KK Annotated Mild CCCCCCCCCCCCCCC[C@]1(c2c(O)oc(CO)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829868 KK Annotated Mild CCCCCCCCCCCCCCC[C@@]1(c2c(O)oc(CO)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587829871 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587829874 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587829879 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587829884 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587829888 KK Annotated Clean CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C/c5ccccc5)N[C@@H](C)Cc5cc(Br)c(F)cc54)c2O)OC(C)(C)C=C3)c1O ZINC000587829918 KK Annotated Clean CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C)(C)[C@@H]1CC3 ZINC000587829921 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C)(C)[C@@H]1CC3 ZINC000587829922 KK Annotated Anodyne CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)C(C)(C)[C@@H]1CC3 ZINC000587829923 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C\c5ccccc5)N[C@@H](C)Cc5cc(Br)c(F)cc54)c2O)OC(C)(C)C=C3)c1O ZINC000587829924 KK Annotated Clean CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C\c5ccccc5)N[C@H](C)Cc5cc(Br)c(F)cc54)c2O)OC(C)(C)C=C3)c1O ZINC000587829925 KK Annotated Clean CC(C)=CCC[C@H](C(=O)O)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)C(C)(C)[C@@H]1CC3 ZINC000587829926 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C/c5ccccc5)N[C@H](C)Cc5cc(Br)c(F)cc54)c2O)OC(C)(C)C=C3)c1O ZINC000587829927 KK Annotated Clean C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CCC4=C3C=C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830038 KK Annotated Mild CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587830039 KK Annotated Anodyne CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587830040 KK Annotated Anodyne C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CCC4=C3C=C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830042 KK Annotated Mild CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587830043 KK Annotated Anodyne CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCc1ccc(C(=O)OC)o1 ZINC000587830045 KK Annotated Anodyne C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(CCC4=C3C=C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830066 KK Annotated Mild C=CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(CCC4=C3C=C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830067 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587830069 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587830070 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587830072 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H](O)[C@H](O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587830073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C/C(=C(\c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587830112 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587830115 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587830118 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587830120 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C/C(=C(\c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587830122 KK Annotated Anodyne CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830123 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830124 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587830125 KK Annotated Anodyne CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830126 KK Annotated Mild CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830128 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC=C4[C@@]3(C)CC[C@@]3(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@H](C)C2=O)N1 ZINC000587830223 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=CC=C4[C@@]3(C)CC[C@@]3(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@H](C)C2=O)N1 ZINC000587830226 KK Annotated Anodyne C[C@@H]1C(=O)[C@]2(C=C3C1=CC=C1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]13C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830229 KK Annotated Anodyne C[C@@H]1C(=O)[C@@]2(C=C3C1=CC=C1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]13C)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587830232 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587830260 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587830266 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587830270 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587830273 KK Annotated Bother Cc1coc2c1[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587830320 KK Annotated Anodyne Cc1coc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587830321 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587830324 KK Annotated Anodyne Cc1coc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)c1c-2ccc2c1CCCC2(C)C ZINC000587830326 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C/C2=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587830487 KK 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=C\C2=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587830488 KK 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=C\C2=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587830489 KK 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=C/C2=C(C)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587830490 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830498 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830501 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830506 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830511 KK Annotated Bother CCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830525 KK Annotated Anodyne CCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830526 KK Annotated Anodyne CCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830528 KK Annotated Anodyne CCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830529 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc3ccccc3cc1C(=O)c1cc3ccccc3cc12 ZINC000587830538 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc3ccccc3cc1C(=O)c1cc3ccccc3cc12 ZINC000587830542 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C([C@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587830620 KK Annotated Mild CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587830621 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C([C@@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587830622 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C([C@H](CCCCCC(=O)O)c2ccccc2)=C(C)C1=O ZINC000587830623 KK Annotated Mild Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1O ZINC000587830657 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1O ZINC000587830661 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1O ZINC000587830663 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1O ZINC000587830665 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587830674 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccco2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587830675 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587830677 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccco2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587830678 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587830721 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587830727 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587830731 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccc3ccc4cccc5ccc2c3c45)N1 ZINC000587830736 KK Annotated Bother CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587830762 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587830766 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587830768 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587830771 KK Annotated Clean Cc1coc2c1C(=O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCCC2(C)C ZINC000587830810 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587830812 KK Annotated Mild Cc1coc2c1C(=O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCCC2(C)C ZINC000587830813 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587830814 KK Annotated Mild Cc1coc2c1C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCCC2(C)C ZINC000587830815 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587830816 KK Annotated Mild Cc1coc2c1C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c-2ccc2c1CCCC2(C)C ZINC000587830817 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O ZINC000587830818 KK Annotated Mild C/C(=C/C(=O)O)C[C@H](C)[C@H](O)[C@H](C)[C@]1([C@H](C)/C=C(C)/C=C/C[C@H](C)/C=C(C)/C=C/[C@@H]2OC(=O)C=C[C@@H]2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830847 KK Annotated Anodyne C/C(=C/C(=O)O)C[C@H](C)[C@H](O)[C@H](C)[C@]1([C@H](C)/C=C(C)/C=C/C[C@H](C)/C=C(C)/C=C/[C@@H]2OC(=O)C=C[C@@H]2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830848 KK Annotated Anodyne CC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830849 KK Annotated Anodyne CC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587830850 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830863 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830864 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830865 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 ZINC000587830866 KK Annotated Anodyne CCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830936 KK Annotated Mild CCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830937 KK Annotated Mild CCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830938 KK Annotated Mild CCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587830939 KK Annotated Mild CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830940 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830941 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830942 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587830943 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830948 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830949 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830950 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1cc(O)ccc1-c1c3cccc4c3c(c3cccc2c13)-c1ccc(O)cc1C4=O ZINC000587830951 KK Annotated Bother Cc1coc2c1C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587831119 KK Annotated Anodyne Cc1coc2c1C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587831120 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831230 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831231 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831234 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)[C@H](CC=C(C)C)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587831237 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831313 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831319 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831321 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587831323 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831366 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831369 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831372 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587831376 KK Annotated Clean Cc1coc2c1C(=O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587831404 KK Annotated Anodyne Cc1coc2c1C(=O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c-2ccc2c1CCC[C@]2(C)CO ZINC000587831405 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587831439 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587831441 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587831443 KK Annotated Anodyne COC(=O)c1ccc(COc2c(OC)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)o1 ZINC000587831444 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587831533 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587831538 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587831542 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587831545 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)/C(=C/C=C\c1ccco1)CCC/C2=C\C=C/c1ccco1 ZINC000587831715 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\C=C\c1ccco1)CCC/C2=C\C=C\c1ccco1 ZINC000587831716 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/C=C\c1ccco1)CCC/C2=C\C=C\c1ccco1 ZINC000587831719 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\C=C\c1ccco1)CCC/C2=C\C=C/c1ccco1 ZINC000587831721 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587831784 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587831803 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587831806 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587831811 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587831864 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587831878 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587831883 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 ZINC000587831889 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831981 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831986 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831990 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC1=C(C)C(=O)c2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587831996 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@]3(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@H]3C2)N1 ZINC000587831999 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@]3(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@H]3C2)N1 ZINC000587832006 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832011 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832015 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832017 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832022 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587832025 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C/CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587832028 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587832033 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587832039 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587832043 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587832048 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832056 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832060 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587832064 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)OCC2 ZINC000587832066 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832068 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)OCC2 ZINC000587832070 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)OCC2 ZINC000587832073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC(=O)[C@@H]4[C@@]3(C)CC2)N1 ZINC000587832074 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13N[C@H](C)Cc1ccc(F)c(Br)c13)OCC2 ZINC000587832076 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC(=O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832080 KK Annotated Anodyne CC1=C(/C=C\C(C)=C\C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587832117 KK 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=C/C2=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587832119 KK 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=C/C2=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587832120 KK 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=C\C2=C(C)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000587832122 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587832189 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587832190 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587832191 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1C(C)(C)O[C@H]3CC(=O)OC[C@]31[C@H]1CC[C@@]3(C)[C@@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@@]12C ZINC000587832192 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587832209 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587832210 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587832211 KK Annotated Anodyne COC(=O)c1ccc(COc2ccc3ccccc3c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 ZINC000587832212 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832461 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832462 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832464 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@]3(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@H]3C2)N1 ZINC000587832468 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@]3(C)[C@H](CC(=O)[C@@H]4[C@@H]3CC(=O)[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCC(=O)O)C2)N1 ZINC000587832473 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@]3(C)[C@H]4CC(=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4C(=O)C[C@H]3C2)N1 ZINC000587832476 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587832558 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587832560 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587832563 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587832565 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587832567 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587832570 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4C(=O)C[C@@]32C)N1 ZINC000587832572 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3[C@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4C(=O)C[C@@]32C)N1 ZINC000587832575 KK Annotated Mild CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832577 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832580 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832582 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832583 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832600 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832601 KK Annotated Anodyne CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832602 KK Annotated Anodyne CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CC(=O)O ZINC000587832603 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C([C@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587832628 KK Annotated Mild CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C([C@@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587832636 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C([C@@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587832638 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C([C@H](CCCCCC(=O)O)c2ccccc2)C1=O ZINC000587832640 KK Annotated Mild COc1ccc([C@@H]2C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587832796 KK Annotated Clean COc1ccc([C@@H]2C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587832799 KK Annotated Clean COc1ccc([C@@H]2C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587832801 KK Annotated Clean COc1ccc([C@@H]2C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(O)cc3O2)cc1O ZINC000587832804 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832843 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832844 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832845 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587832846 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832861 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832863 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832865 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832867 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587832943 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587832946 KK Annotated Mild Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C\c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587832949 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587832951 KK Annotated Anodyne Cc1c(O)c(Cc2c(O)c3c(c(C(=O)/C=C/c4ccccc4)c2O)OC(C)(C)C=C3)c(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O ZINC000587832952 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587832954 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587832956 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587832958 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832970 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832971 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832972 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/CCc2ccc(O)cc2)(CCc2ccc(O)cc2)N1 ZINC000587832973 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832992 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832993 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832994 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587832995 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587833126 KK Annotated Mild CC1=C(C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587833137 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587833142 KK Annotated Mild CC1=C(C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587833146 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C\c2ccc(O)cc2)N1 ZINC000587833217 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C/c2ccc(O)cc2)N1 ZINC000587833220 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C\c2ccc(O)cc2)N1 ZINC000587833222 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C/c2ccc(O)cc2)N1 ZINC000587833225 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587833227 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587833228 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587833230 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](c2ccccc2)c2ccccc2O)(c2ccccc2)N1 ZINC000587833232 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587833262 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587833265 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587833267 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587833270 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833379 KK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833383 KK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833387 KK Annotated Clean COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833392 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587833409 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587833414 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)N[C@H](C)Cc3cc(Br)c(F)cc31)C=CC(C)(C)O2 ZINC000587833417 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587833419 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587833422 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587833425 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)N[C@@H](C)Cc3cc(Br)c(F)cc31)C=CC(C)(C)O2 ZINC000587833428 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587833430 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)N[C@@H](C)Cc3cc(Br)c(F)cc31)C=CC(C)(C)O2 ZINC000587833432 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587833434 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)N[C@H](C)Cc3cc(Br)c(F)cc31)C=CC(C)(C)O2 ZINC000587833435 KK Annotated Anodyne CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587833436 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1O ZINC000587833487 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1O ZINC000587833501 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1O ZINC000587833506 KK Annotated Anodyne CCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833508 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)ccc1O ZINC000587833509 KK Annotated Anodyne CCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833510 KK Annotated Anodyne CCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833512 KK Annotated Anodyne CCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833515 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587833581 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587833582 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587833583 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587833584 KK Annotated Anodyne Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833654 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833662 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833663 KK Annotated Clean Cc1cc(O)c2c3c1c1c(C)cc(O)c4c(=O)c5c(O)cc(O)c6c7c(O)cc(O)c(c7c3c(c41)c56)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587833671 KK Annotated Clean COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)OCC2 ZINC000587833697 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)OCC2 ZINC000587833701 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@@]13N[C@H](C)Cc1cc(Br)c(F)cc13)OCC2 ZINC000587833704 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C1=COc3ccccc3[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)OCC2 ZINC000587833706 KK Annotated Anodyne CCCCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833796 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833804 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833806 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833808 KK Annotated Mild COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833824 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833826 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833828 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1 ZINC000587833829 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587833830 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587833833 KK Annotated Clean COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587833836 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587833837 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587833838 KK Annotated Clean COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587833839 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587833840 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)ccc1O ZINC000587833841 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833860 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@@H](c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833861 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833863 KK Annotated Anodyne COc1cc(O)c(OC)c2c1[C@]1(C[C@H](c3ccccc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587833865 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=C(c3ccc(O)cc3)c3ccc(O)cc3)C=C2)N1 ZINC000587833880 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(C=CC(=C(c3ccc(O)cc3)c3ccc(O)cc3)C=C2)N1 ZINC000587833881 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1O ZINC000587833890 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1O ZINC000587833891 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1O ZINC000587833892 KK Annotated Clean Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1O ZINC000587833893 KK Annotated Clean COc1ccc(/C=C\[C@]2(c3ccc4c(c3)OCO4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587833975 KK Annotated Anodyne COc1ccc(/C=C\[C@]2(c3ccc4c(c3)OCO4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587833977 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc4c(c3)OCO4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587833979 KK Annotated Anodyne COc1ccc(/C=C/[C@]2(c3ccc4c(c3)OCO4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC ZINC000587833980 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=C(c3ccc(O)cc3)c3ccc(O)cc3)C=C2)N1 ZINC000587834068 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(C=CC(=C(c3ccc(O)cc3)c3ccc(O)cc3)C=C2)N1 ZINC000587834070 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)N[C@H](C)Cc3ccc(F)c(Br)c31)C=CC(C)(C)O2 ZINC000587834111 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(C=C(c4ccccc4)O3)N[C@@H](C)Cc3ccc(F)c(Br)c31)C=CC(C)(C)O2 ZINC000587834113 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)N[C@@H](C)Cc3ccc(F)c(Br)c31)C=CC(C)(C)O2 ZINC000587834116 KK Annotated Anodyne COc1cc2c(c3c1[C@@]1(C=C(c4ccccc4)O3)N[C@H](C)Cc3ccc(F)c(Br)c31)C=CC(C)(C)O2 ZINC000587834119 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc3c1C(=O)c1c(cccc12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587834295 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccc3c1C(=O)c1c(cccc12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587834301 KK Annotated Anodyne CCCCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834353 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834355 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834356 KK Annotated Mild CCCCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834359 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587834397 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834399 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587834400 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834401 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587834402 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834403 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@@H]4[C@H]5CC[C@H](O)[C@@]5(C)C[C@H](O)[C@H]4[C@@]3(C)CC2)N1 ZINC000587834404 KK Annotated Anodyne COc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587834405 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587834475 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587834476 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587834477 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3cc4c(c(O)c32)C=CC(C)(C)O4)N1 ZINC000587834478 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587834479 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587834480 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587834481 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587834482 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587834495 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587834496 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587834497 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)ccc1O ZINC000587834498 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834707 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834708 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834709 KK Annotated Anodyne COc1cc(O)c(CC=C(C)C)c2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587834710 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1OC ZINC000587834727 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1OC ZINC000587834728 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1OC ZINC000587834729 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1OC ZINC000587834730 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835011 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835012 KK Annotated Anodyne COc1cccc(/C=C\c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835013 KK Annotated Anodyne COc1cccc(/C=C/c2oc3c(cc(O)c4ccccc43)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587835014 KK Annotated Anodyne Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835015 KK Annotated Clean Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835016 KK Annotated Clean Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835017 KK Annotated Clean Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835018 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835031 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835032 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835033 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835034 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835055 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835056 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835057 KK Annotated Anodyne CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(OC)c(OC)c1)O2 ZINC000587835058 KK Annotated Anodyne Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835079 KK Annotated Clean Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835080 KK Annotated Clean Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835081 KK Annotated Clean Cc1c(O)c(C)c2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835082 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587835087 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587835088 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587835089 KK Annotated Clean CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587835090 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835091 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835092 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835093 KK Annotated Clean CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC=C(c1ccc(O)cc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835094 KK Annotated Clean COc1ccc(/C=C2\COc3ccc(C)cc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1O ZINC000587835140 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587835147 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587835148 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587835149 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c2c(O)c2ccccc2c1O ZINC000587835150 KK Annotated Clean COc1ccc(/C=C2\COc3ccc(C)cc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1O ZINC000587835152 KK Annotated Anodyne COc1ccc(/C=C2\COc3ccc(C)cc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1O ZINC000587835154 KK Annotated Anodyne COc1ccc(/C=C2\COc3ccc(C)cc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1O ZINC000587835156 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c3cccc1C(=O)c1cccc(c12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587835170 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1c3cccc1C(=O)c1cccc(c12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587835173 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc3c1C(=O)c1c(cccc12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587835277 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccc3c1C(=O)c1c(cccc12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587835278 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587835307 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587835308 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587835309 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587835310 KK Annotated Clean COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587835347 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587835348 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587835349 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587835350 KK Annotated Anodyne CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587835391 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](c1ccc(O)c(O)c1)O2 ZINC000587835392 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587835393 KK Annotated Clean CCc1ccc2c(c1)C(=O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](c1ccc(O)c(O)c1)O2 ZINC000587835394 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C/c2ccc(O)cc2)N1 ZINC000587835421 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C\c2ccc(O)cc2)N1 ZINC000587835422 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C\c2ccc(O)cc2)N1 ZINC000587835423 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(O)cc2)(CC(=O)/C=C/c2ccc(O)cc2)N1 ZINC000587835424 KK Annotated Mild CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587835441 KK Annotated Mild CC1=C(C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587835442 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587835443 KK Annotated Mild CC1=C(C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C1=O ZINC000587835444 KK Annotated Mild CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835611 KK Annotated Clean CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835612 KK Annotated Clean CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835613 KK Annotated Clean CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587835614 KK Annotated Clean COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1OC ZINC000587835637 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1OC ZINC000587835638 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1OC ZINC000587835639 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)C2=O)cc1OC ZINC000587835640 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835665 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835666 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835667 KK Annotated Clean COc1ccc([C@@H]2Oc3c(CC=C(C)C)c(O)cc(O)c3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)cc1 ZINC000587835668 KK Annotated Clean COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587835681 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587835682 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587835683 KK Annotated Anodyne COc1ccc([C@@H]2Oc3ccc(C)cc3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587835684 KK Annotated Anodyne COc1ccc([C@@H]2C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587835697 KK Annotated Clean COc1ccc([C@@H]2C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587835698 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587835737 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587835738 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587835739 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1cc(O)c3c4c(O)cc5c6ccccc6c(=O)c6ccc(c7ccc2c1c73)c4c65 ZINC000587835740 KK Annotated Bother CCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835789 KK Annotated Mild COc1ccc(/C=C\[C@]2(c3ccc4c(c3)OCO4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587835790 KK Annotated Anodyne CCCCCCC[C@H](O)C[C@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835791 KK Annotated Mild COc1ccc(/C=C\[C@]2(c3ccc4c(c3)OCO4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587835792 KK Annotated Anodyne CCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835793 KK Annotated Mild COc1ccc(/C=C/[C@]2(c3ccc4c(c3)OCO4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587835794 KK Annotated Anodyne CCCCCCC[C@H](O)C[C@@]1(CCc2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587835795 KK Annotated Mild COc1ccc(/C=C/[C@]2(c3ccc4c(c3)OCO4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC ZINC000587835796 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587835833 KK Annotated Mild CC1=C(C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587835836 KK Annotated Mild CC1=C(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587835838 KK Annotated Mild CC1=C(C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587835842 KK Annotated Mild COc1ccc([C@@H]2C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587835899 KK Annotated Clean COc1ccc([C@@H]2C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(O)cc3O2)cc1O ZINC000587835900 KK Annotated Clean CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C[C@H]1C ZINC000587835901 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]1C ZINC000587835905 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@@H]1C ZINC000587835910 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C[C@@H]1C ZINC000587835913 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]1C ZINC000587835958 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C[C@@H]1C ZINC000587835962 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@@H]1C ZINC000587835966 KK Annotated Anodyne CC[C@H](C(=O)O)[C@@H]1O[C@H]([C@H](C)[C@H](O)[C@H](C)[C@]2([C@H](CC)[C@@H]3O[C@]4(C=C[C@H](O)[C@]5(CC[C@](C)([C@@H]6CC[C@](O)(CC)[C@H](C)O6)O5)O4)[C@H](C)C[C@@H]3C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C[C@H]1C ZINC000587835969 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587836002 KK Annotated Mild CC1=C(C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587836004 KK Annotated Mild COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1O ZINC000587836005 KK Annotated Anodyne CC1=C(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587836007 KK Annotated Mild COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1O ZINC000587836008 KK Annotated Anodyne CC1=C(C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O ZINC000587836010 KK Annotated Mild COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1O ZINC000587836011 KK Annotated Anodyne COc1cc([C@@H]2Oc3cc(C)c(C)cc3[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)C2=O)ccc1O ZINC000587836014 KK Annotated Anodyne CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C\c5ccccc5)N[C@@H](C)Cc5ccc(F)c(Br)c54)c2O)OC(C)(C)C=C3)c1O ZINC000587836016 KK Annotated Clean CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C\c5ccccc5)N[C@H](C)Cc5ccc(F)c(Br)c54)c2O)OC(C)(C)C=C3)c1O ZINC000587836017 KK Annotated Clean CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C/c5ccccc5)N[C@@H](C)Cc5ccc(F)c(Br)c54)c2O)OC(C)(C)C=C3)c1O ZINC000587836018 KK Annotated Clean CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3c(c([C@]4(/C=C/c5ccccc5)N[C@H](C)Cc5ccc(F)c(Br)c54)c2O)OC(C)(C)C=C3)c1O ZINC000587836020 KK Annotated Clean CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587836055 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587836060 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587836064 KK Annotated Anodyne CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)C(C)(C)[C@@H]3CC[C@]12C ZINC000587836071 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587836215 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587836216 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C/C(=C(\c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587836217 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587836218 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C/C(=C(/c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587836219 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C/C(=C(\c3ccccc3)c3ccc(O)c4ccccc34)c3ccccc32)N1 ZINC000587836220 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836269 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836270 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836271 KK Annotated Anodyne COc1ccc([C@@H]2Oc3cc(OC)cc(O)c3C(=O)[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 ZINC000587836272 KK Annotated Anodyne CC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836293 KK Annotated Anodyne CC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836294 KK Annotated Anodyne C/C(=C/C(=O)O)C[C@H](C)[C@H](O)[C@H](C)[C@]1([C@H](C)/C=C(C)/C=C/C[C@H](C)/C=C(C)/C=C/[C@@H]2OC(=O)C=C[C@@H]2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836295 KK Annotated Anodyne C/C(=C/C(=O)O)C[C@H](C)[C@H](O)[C@H](C)[C@]1([C@H](C)/C=C(C)/C=C/C[C@H](C)/C=C(C)/C=C/[C@@H]2OC(=O)C=C[C@@H]2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587836296 KK Annotated Anodyne CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836301 KK Annotated Clean CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836302 KK Annotated Clean CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836303 KK Annotated Clean CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587836304 KK Annotated Clean COc1ccc(/C=C2\COc3ccc(C)cc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1O ZINC000587836349 KK Annotated Anodyne COc1ccc(/C=C2\COc3ccc(C)cc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1O ZINC000587836350 KK Annotated Anodyne COc1ccc(/C=C2\COc3ccc(C)cc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1O ZINC000587836351 KK Annotated Anodyne COc1ccc(/C=C2\COc3ccc(C)cc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1O ZINC000587836352 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836353 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836354 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836355 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836356 KK Annotated Mild COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836486 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836493 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836498 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836501 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587836517 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587836522 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587836524 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587836526 KK Annotated Mild Cc1c(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587836528 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587836534 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587836537 KK Annotated Bother Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c1oc(=O)c1ccccc12 ZINC000587836541 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836549 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836550 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836551 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836552 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)OCOC3=CC4=O ZINC000587836583 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12)OCOC3=CC4=O ZINC000587836584 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12)OCOC3=CC4=O ZINC000587836585 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12)OCOC3=CC4=O ZINC000587836586 KK Annotated Mild Cc1c(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587836587 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587836588 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587836589 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587836590 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836591 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836592 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836593 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587836594 KK Annotated Anodyne C=C[C@@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587836595 KK Annotated Mild C=C[C@@]1(C)C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587836596 KK Annotated Mild C=C[C@@]1(C)C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587836597 KK Annotated Mild C=C[C@@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587836598 KK Annotated Mild C=C[C@@]1(C)C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587836599 KK Annotated Mild C=C[C@@]1(C)C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587836600 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)[C@@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587836617 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)[C@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587836618 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)[C@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587836619 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587836620 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587836725 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587836726 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587836727 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587836728 KK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587836729 KK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587836730 KK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587836731 KK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587836732 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836753 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836754 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836755 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587836756 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587836767 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587836768 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587836769 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587836770 KK Annotated Clean Cc1c(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836805 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836806 KK Annotated Bother Cc1c(O[C@H](C)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836807 KK Annotated Bother Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c1oc(=O)c1ccccc12 ZINC000587836808 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836853 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836854 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836855 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)C1=C(OC[C@@H]1C)c1ccc3c(c12)CCCC3(C)C ZINC000587836856 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587836893 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587836894 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587836895 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1c(ccc3c1CCCC3(C)C)C1=C2[C@@H](C)CO1 ZINC000587836896 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccc(OCC(=O)O)cc1O2 ZINC000587836937 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccc(OCC(=O)O)cc1O2 ZINC000587836938 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccc(OCC(=O)O)cc1O2 ZINC000587836939 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccc(OCC(=O)O)cc1O2 ZINC000587836940 KK Annotated Anodyne CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@@]4(CC(C)C)N[C@@H](C)Cc5ccc(F)c(Br)c54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587836945 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@]4(CC(C)C)N[C@H](C)Cc5ccc(F)c(Br)c54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587836946 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@]4(CC(C)C)N[C@@H](C)Cc5ccc(F)c(Br)c54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587836947 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@@]4(CC(C)C)N[C@H](C)Cc5ccc(F)c(Br)c54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587836948 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836957 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836958 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836959 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]23)N1 ZINC000587836960 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1=O ZINC000587836961 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1=O ZINC000587836962 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1=O ZINC000587836963 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)C1=O ZINC000587836964 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587836999 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587837000 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587837001 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587837002 KK Annotated Clean CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837003 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837004 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837005 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837006 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587837009 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587837010 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587837011 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587837012 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837017 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837018 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837019 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CC(=O)CO5)[C@H]14)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837020 KK Annotated Anodyne COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@]41N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837136 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@@]41N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837140 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@@]41N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837144 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@]41N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837148 KK Annotated Mild Cc1c(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587837152 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587837155 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587837157 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c3cccc1C(=O)c1cccc(c12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587837158 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCC3 ZINC000587837159 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1c3cccc1C(=O)c1cccc(c12)OCCOCCOc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCCOCCO3 ZINC000587837162 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587837199 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587837200 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4C[C@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587837201 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4C[C@@]5(CO5)C5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)N1 ZINC000587837202 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@@]4(CC(C)C)N[C@@H](C)Cc5cc(Br)c(F)cc54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587837207 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@]4(CC(C)C)N[C@H](C)Cc5cc(Br)c(F)cc54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587837208 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@]4(CC(C)C)N[C@@H](C)Cc5cc(Br)c(F)cc54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587837209 KK Annotated Mild CC(C)C[C@@H]1C2=C(Oc3cc(O)c([C@@]4(CC(C)C)N[C@H](C)Cc5cc(Br)c(F)cc54)c(O)c31)C(C)(C)C(=O)C(C)(C)C2=O ZINC000587837210 KK Annotated Mild COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837233 KK Annotated Clean COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837234 KK Annotated Clean COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837235 KK Annotated Clean COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837236 KK Annotated Clean CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587837251 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587837252 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587837253 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587837254 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587837259 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587837260 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587837261 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587837262 KK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837263 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837264 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837265 KK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837266 KK Annotated Anodyne CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@](C)(O)C1 ZINC000587837279 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@](C)(O)C1 ZINC000587837280 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@](C)(O)C1 ZINC000587837281 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@](C)(O)C1 ZINC000587837282 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@](C)(O)C1 ZINC000587837315 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@](C)(O)C1 ZINC000587837316 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@](C)(O)C1 ZINC000587837317 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@]2(C[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@](C)(O)C1 ZINC000587837318 KK Annotated Bother Cc1cc(OC[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837327 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837328 KK Annotated Anodyne Cc1cc(OC[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837329 KK Annotated Anodyne Cc1cc(OC[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c2c3c(c(=O)oc2c1)CCCC3 ZINC000587837330 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1=O ZINC000587837347 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1=O ZINC000587837348 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1=O ZINC000587837349 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)C1=O ZINC000587837350 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587837379 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587837380 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587837381 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587837382 KK Annotated Mild CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837383 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837384 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837385 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837386 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccc(OCC(=O)O)cc1O2 ZINC000587837395 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccc(OCC(=O)O)cc1O2 ZINC000587837396 KK Annotated Anodyne CC1CCC2(CC1)C[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccc(OCC(=O)O)cc1O2 ZINC000587837397 KK Annotated Anodyne CC1CCC2(CC1)C[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccc(OCC(=O)O)cc1O2 ZINC000587837398 KK Annotated Anodyne COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837431 KK Annotated Clean COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837432 KK Annotated Clean COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837433 KK Annotated Clean COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587837434 KK Annotated Clean COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837459 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837460 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837461 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837462 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837463 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837464 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837465 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587837466 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837499 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837500 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837501 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837502 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837503 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837504 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]25CCC(=O)O5)[C@H]14)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837505 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@]24O[C@@H]2C[C@@]2(C)[C@@H](CC[C@]25CCC(=O)O5)[C@H]14)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837506 KK Annotated Anodyne COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837509 KK Annotated Clean COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837510 KK Annotated Clean COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837511 KK Annotated Clean COc1cc(O)c2c(c1)OC(c1cc(OC)c(OC)c(OC)c1OC)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837512 KK Annotated Clean COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837517 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837518 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837519 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837520 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587837525 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587837526 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587837527 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587837528 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837541 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837542 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837543 KK Annotated Anodyne CCC[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587837544 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587837557 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587837558 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587837559 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587837560 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587837577 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587837578 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587837579 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587837580 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837589 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837590 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837591 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837592 KK Annotated Clean COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)OCOC3=CC4=O ZINC000587837609 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12)OCOC3=CC4=O ZINC000587837610 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12)OCOC3=CC4=O ZINC000587837611 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12)OCOC3=CC4=O ZINC000587837612 KK Annotated Mild COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837627 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837628 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837629 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837630 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837651 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837652 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837653 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)cc1O ZINC000587837654 KK Annotated Clean CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837663 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837664 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837671 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587837672 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587837701 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587837702 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587837704 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(c3ccc(O)cc3)Oc3c(-c4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)c(O)cc(O)c32)N1 ZINC000587837705 KK Annotated Clean COc1cc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587837726 KK Annotated Clean COc1cc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587837727 KK Annotated Clean COc1cc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587837729 KK Annotated Clean COc1cc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587837731 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837732 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837733 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837734 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587837735 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587837752 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)[C@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587837753 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587837756 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)[C@@]2(CO2)C[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)N1 ZINC000587837758 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c([N+](=O)[O-])c1 ZINC000587837876 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c([N+](=O)[O-])c1 ZINC000587837880 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c([N+](=O)[O-])c1 ZINC000587837881 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c([N+](=O)[O-])c1 ZINC000587837882 KK Annotated Bother COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837886 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837888 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837889 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587837891 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@@H](CC[C@@]4(C)O3)C2(C)C)N1 ZINC000587837970 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@H](CC[C@@]4(C)O3)C2(C)C)N1 ZINC000587837971 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@H](CC[C@]4(C)O3)C2(C)C)N1 ZINC000587837972 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@@H](CC[C@]4(C)O3)C2(C)C)N1 ZINC000587837973 KK Annotated Clean CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838012 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838019 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838021 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838022 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838027 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838031 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838033 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1[C@@H](CO2)Oc2c(ccc3c2C=CC(C)(C)O3)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838036 KK Annotated Anodyne C=CCn1c(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1=NS(=O)(=O)c1cccs1 ZINC000587838062 KK Annotated Mild COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587838063 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587838065 KK Annotated Anodyne C=CCn1c(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1=NS(=O)(=O)c1cccs1 ZINC000587838067 KK Annotated Mild C=CCn1c(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1=NS(=O)(=O)c1cccs1 ZINC000587838068 KK Annotated Mild C=CCn1c(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1=NS(=O)(=O)c1cccs1 ZINC000587838069 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1O ZINC000587838133 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1O ZINC000587838134 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1O ZINC000587838135 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1O ZINC000587838136 KK Annotated Mild CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838185 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838186 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838187 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838188 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587838189 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587838190 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587838203 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587838204 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587838205 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(CCC(=O)O)cc4C(c4cc(C(=O)O)ccc4C(=O)O)=C3C=C2CCC(=O)O)N1 ZINC000587838206 KK Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)N[C@H](C)Cc4cc(Br)c(F)cc42)[C@H]13 ZINC000587838207 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)N[C@@H](C)Cc4cc(Br)c(F)cc42)[C@H]13 ZINC000587838208 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)N[C@@H](C)Cc4cc(Br)c(F)cc42)[C@H]13 ZINC000587838209 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)N[C@H](C)Cc4cc(Br)c(F)cc42)[C@H]13 ZINC000587838210 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838219 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838220 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)N[C@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838221 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2([C@]2(CO)N[C@@H](C)Cc3cc(Br)c(F)cc32)O1 ZINC000587838222 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@@H](C)Cc1ccc(F)c(Br)c16 ZINC000587838231 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@@H](C)Cc1ccc(F)c(Br)c16 ZINC000587838232 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@H](C)Cc1ccc(F)c(Br)c16 ZINC000587838233 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@H](C)Cc1ccc(F)c(Br)c16 ZINC000587838234 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838235 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838236 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838237 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838238 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838239 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838240 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838241 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587838242 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587838247 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587838248 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587838249 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587838250 KK Annotated Anodyne COc1c(O)cc2c(c1CC=C(C)C)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587838255 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587838256 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587838257 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587838258 KK Annotated Clean CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838263 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838264 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838265 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccc(O)cc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587838266 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838275 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838276 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838278 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838279 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587838294 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587838295 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838303 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838304 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838305 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838306 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587838319 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587838320 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587838321 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nn2C)cc1 ZINC000587838322 KK Annotated Anodyne Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838331 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838332 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838333 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587838334 KK Annotated Mild C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838343 KK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838344 KK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838345 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587838346 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838393 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838394 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838395 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587838396 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587838401 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587838402 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587838403 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587838404 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587838405 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587838406 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587838411 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587838412 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587838413 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587838414 KK Annotated Clean CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587838431 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587838432 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587838433 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587838434 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838467 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838468 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838469 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838470 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4cc(Br)c(F)cc41)c1c(O)cccc1O3)[C@@H]1C=CO[C@H]1O2 ZINC000587838471 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587838472 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4cc(Br)c(F)cc41)c1c(O)cccc1O3)[C@H]1C=CO[C@@H]1O2 ZINC000587838473 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587838474 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4cc(Br)c(F)cc41)c1c(O)cccc1O3)[C@H]1C=CO[C@H]1O2 ZINC000587838475 KK Annotated Clean COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4cc(Br)c(F)cc41)c1c(O)cccc1O3)[C@@H]1C=CO[C@@H]1O2 ZINC000587838478 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838501 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838504 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838505 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587838506 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838507 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(OC[C@@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587838508 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587838510 KK Annotated Anodyne CCOC(=O)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2c(OC[C@H](O)COc3cccc4oc(C(=O)OCC)cc(=O)c34)cccc2O1 ZINC000587838511 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587838519 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838520 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccc(O)cc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838521 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587838522 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838523 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587838524 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccc(O)cc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587838525 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(O)cc3c4c2OC(C)(C)[C@H]2CC[C@@](C)(C[C@H]42)O3)N1 ZINC000587838527 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41N[C@@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587838529 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41N[C@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587838533 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41N[C@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587838534 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41N[C@@H](C)Cc2cc(Br)c(F)cc21)C3=O ZINC000587838535 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838536 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838537 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838538 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838539 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]1C2 ZINC000587838556 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]1C2 ZINC000587838557 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@H]1C2 ZINC000587838558 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@H](C)Cc4cc(Br)c(F)cc43)[C@H]1C2 ZINC000587838560 KK Annotated Mild COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587838561 KK Annotated Clean COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587838562 KK Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587838563 KK Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587838564 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587838577 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587838578 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587838579 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587838580 KK Annotated Clean C/C=C\C1=CC2=C(CO1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587838581 KK Annotated Anodyne C/C=C\C1=CC2=C(CO1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587838582 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587838583 KK Annotated Anodyne C/C=C/C1=CC2=C(CO1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@]1(C)OC(=O)[C@H](C(=O)CCCCC)[C@H]1C2 ZINC000587838584 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838605 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838606 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587838607 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587838608 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587838617 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587838618 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587838619 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2OC)c1 ZINC000587838620 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587838639 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587838640 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587838641 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587838642 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587838643 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587838644 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587838645 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587838646 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587838669 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587838670 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587838671 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587838672 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587838681 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587838682 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587838683 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587838684 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587838705 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838706 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C=C[C@H]4[C@@H]5CC[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838707 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587838714 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@@H](CC[C@@]4(C)O3)C2(C)C)N1 ZINC000587838717 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@@H](CC[C@]4(C)O3)C2(C)C)N1 ZINC000587838718 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@H](CC[C@]4(C)O3)C2(C)C)N1 ZINC000587838719 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(O)cc3c(c2O)[C@@H]2[C@@H]4[C@H](CC[C@@]4(C)O3)C2(C)C)N1 ZINC000587838720 KK Annotated Clean Cc1c(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587838727 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587838728 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587838729 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587838730 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838743 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838744 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838745 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587838746 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41N[C@@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587838747 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41N[C@@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587838748 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)[C@@]41N[C@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587838749 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)[C@@]41N[C@H](C)Cc2ccc(F)c(Br)c21)C3=O ZINC000587838750 KK Annotated Mild CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@@H](C)Cc1cc(Br)c(F)cc16 ZINC000587838751 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@H](C)Cc1cc(Br)c(F)cc16 ZINC000587838752 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@@H](C)Cc1cc(Br)c(F)cc16 ZINC000587838753 KK Annotated Anodyne CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@@]6(C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1)N[C@H](C)Cc1cc(Br)c(F)cc16 ZINC000587838754 KK Annotated Anodyne C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@@H](C)Cc4ccc(F)c(Br)c45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000587838755 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@H](C)Cc4ccc(F)c(Br)c45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000587838756 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@H](C)Cc4ccc(F)c(Br)c45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C\c1ccccc1 ZINC000587838757 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@@H](C)Cc4ccc(F)c(Br)c45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C\c1ccccc1 ZINC000587838758 KK Annotated Mild COc1cc2c(c(O)c1OC)[C@@]1(C=C(c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838771 KK Annotated Clean COc1cc2c(c(O)c1OC)[C@@]1(C=C(c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838772 KK Annotated Clean COc1cc2c(c(O)c1OC)[C@]1(C=C(c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838773 KK Annotated Clean COc1cc2c(c(O)c1OC)[C@]1(C=C(c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838774 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587838775 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587838776 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587838777 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)c(C)c(OC)c(C)c3O2)cc1 ZINC000587838778 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587838821 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587838823 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587838824 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587838825 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838826 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838829 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838830 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838832 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838880 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838883 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838884 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838885 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587838905 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587838907 KK Annotated Bother CC(C)=CCc1c(O)cc2c(c1O)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838916 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838919 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838922 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838923 KK Annotated Clean Cc1ccc(S(=O)(=O)N2CCC[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587838932 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587838933 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587838934 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc32)cc1 ZINC000587838935 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838957 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838959 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838960 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587838961 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587838970 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587838973 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587838974 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587838975 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838976 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838978 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838979 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587838980 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587838990 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587838993 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587838994 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587838996 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587839010 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587839012 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587839013 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000587839014 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587839015 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587839016 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587839017 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587839018 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587839033 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587839044 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587839046 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587839047 KK Annotated Reactive Cc1ccc(S(=O)(=O)N2CCC[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587839049 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587839050 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587839052 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587839053 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc32)cc1 ZINC000587839054 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587839055 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587839057 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587839060 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839070 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839073 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)C4=O)[C@@]31N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839075 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)C4=O)[C@@]31N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839076 KK Annotated Clean C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]1C2 ZINC000587839084 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]1C2 ZINC000587839086 KK Annotated Mild C/C=C/C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@H]1C2 ZINC000587839088 KK Annotated Mild C/C=C\C1=CC2=C(CO1)C(=O)[C@]1(C)OC(=O)[C@H]([C@]3(CCCCC)N[C@H](C)Cc4ccc(F)c(Br)c43)[C@H]1C2 ZINC000587839089 KK Annotated Mild COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839102 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839103 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839104 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@@H]2[C@@H]1[C@@H]1CC[C@@]4(CCC(=O)O4)[C@@]1(C)C[C@H]2O)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839106 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839107 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839108 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@]1(C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839110 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839111 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839112 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839113 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839114 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839115 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839116 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839118 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839119 KK Annotated Anodyne COC(=O)[C@@H]1CC2=C[C@]3(CC[C@]2(C)C2=CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587839121 KK Annotated Anodyne COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)OCO2 ZINC000587839141 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)OCO2 ZINC000587839142 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)OCO2 ZINC000587839143 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1COc1ccc2c(c1)OCO2 ZINC000587839144 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839145 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839146 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839147 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839148 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587839169 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587839171 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587839172 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@@H]4C[C@@H]4[C@H]4[C@@H]5[C@@H]6C[C@@H]6[C@@]6(CCC(=O)O6)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 ZINC000587839173 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc(OC)c1OC ZINC000587839204 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc(OC)c1OC ZINC000587839205 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc(OC)c1OC ZINC000587839206 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc(OC)c1OC ZINC000587839207 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587839224 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587839225 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587839226 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587839227 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839264 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839266 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839269 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587839270 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587839280 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587839281 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@@H](C)Cc1ccc(F)c(Br)c15 ZINC000587839282 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@H](C)Cc1ccc(F)c(Br)c15 ZINC000587839285 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587839332 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587839342 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(N[C@@H](C)Cc4cc(Br)c(F)cc42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587839343 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(N[C@H](C)Cc4cc(Br)c(F)cc42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587839344 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C([n+]1c[nH]c3ccccc31)=C(O)c1ccccc12 ZINC000587839373 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839377 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839378 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839379 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(c1c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc13)=C(c1ccc(O)cc1)Oc1cc(O)cc(O)c12 ZINC000587839380 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C([n+]1c[nH]c3ccccc31)=C(O)c1ccccc12 ZINC000587839383 KK Annotated Mild CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)ccc(O)c1O2 ZINC000587839393 KK Annotated Clean CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(O)ccc(O)c1O2 ZINC000587839396 KK Annotated Clean CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)ccc(O)c1O2 ZINC000587839397 KK Annotated Clean CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(O)ccc(O)c1O2 ZINC000587839398 KK Annotated Clean COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587839436 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587839440 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587839442 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587839443 KK Annotated Bother C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@@H](C)Cc4cc(Br)c(F)cc45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C\c1ccccc1 ZINC000587839455 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@@H](C)Cc4cc(Br)c(F)cc45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000587839456 KK Annotated Mild C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@H](C)Cc4cc(Br)c(F)cc45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C/c1ccccc1 ZINC000587839460 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587839461 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587839462 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587839463 KK Annotated Anodyne C=C(C)[C@@]12O[C@@]3(c4ccccc4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@@]4(O)[C@@H](C=C(C)[C@]45N[C@H](C)Cc4cc(Br)c(F)cc45)[C@@]1(O3)[C@H](C)[C@H]2OC(=O)/C=C/C=C\c1ccccc1 ZINC000587839464 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c1 ZINC000587839465 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587839466 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587839469 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587839471 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587839472 KK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839474 KK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839475 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839476 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839477 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839525 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587839526 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839527 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587839528 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839529 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587839530 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839531 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3cc(OC)ccc3O2)c(OC)c1 ZINC000587839532 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839542 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839548 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839549 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 ZINC000587839551 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccc(/C=C3\C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587839563 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\c1ccc(/C=C3/C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587839573 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccc(/C=C3\C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587839578 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/c1ccc(/C=C3/C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587839582 KK Annotated Mild COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839589 KK Annotated Clean COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839592 KK Annotated Clean COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839596 KK Annotated Clean COC1=C(c2ccc(OC)c(O)c2)Oc2cc(OC)c(OC)c(O)c2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587839600 KK Annotated Clean COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)OCO2 ZINC000587839605 KK Annotated Anodyne COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)OCO2 ZINC000587839608 KK Annotated Anodyne COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)OCO2 ZINC000587839610 KK Annotated Anodyne COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1COc1ccc2c(c1)OCO2 ZINC000587839613 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587839628 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587839631 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587839633 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587839634 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587839635 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587839636 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3Oc4cc(O)c(O)cc4C(c4ccccc4)=C3CC2=O)N1 ZINC000587839637 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3cc(O)c(-c4c(O)cc(O)c5c4O[C@H](c4ccc(O)cc4)CC5=O)c(O)c32)N1 ZINC000587839638 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587839653 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587839655 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587839656 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587839658 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587839664 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587839665 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587839667 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3=C(c4ccccc4)c4cc(O)c(O)cc4OC3=CC2=O)N1 ZINC000587839669 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@]41N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839690 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@@]41N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839696 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@@]41N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839702 KK Annotated Mild COC1=C(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(O)c4c3c3c5c(cc(O)c(c25)C1=O)OCOC3=C[C@]41N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839705 KK Annotated Mild COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccc4ccccc4c3O2)cc1OC ZINC000587839707 KK Annotated Anodyne COc1cc2c(c(O)c1OC)[C@@]1(C=C(c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839708 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccc4ccccc4c3O2)cc1OC ZINC000587839709 KK Annotated Anodyne COc1cc2c(c(O)c1OC)[C@@]1(C=C(c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839710 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccc4ccccc4c3O2)cc1OC ZINC000587839711 KK Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(C=C(c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839712 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccc4ccccc4c3O2)cc1OC ZINC000587839713 KK Annotated Anodyne COc1cc2c(c(O)c1OC)[C@]1(C=C(c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587839714 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587839716 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587839719 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587839721 KK Annotated Clean COc1c(O)cc2c(c1CC=C(C)C)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1c(cc(O)c(CC=C(C)C)c1O)O2 ZINC000587839724 KK Annotated Clean Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839743 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839744 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839745 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](c2ccccc2)[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587839746 KK Annotated Mild COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839776 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839777 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839778 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587839779 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839790 KK Annotated Reactive COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587839791 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839792 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839793 KK Annotated Reactive COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587839794 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 ZINC000587839795 KK Annotated Reactive COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587839797 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1 ZINC000587839798 KK Annotated Anodyne CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)ccc(O)c1O2 ZINC000587839817 KK Annotated Clean CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)ccc(O)c1O2 ZINC000587839820 KK Annotated Clean CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)ccc(O)c1O2 ZINC000587839824 KK Annotated Clean CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)ccc(O)c1O2 ZINC000587839828 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587839839 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587839840 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587839841 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587839843 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587839855 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587839858 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587839860 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(OCC(=O)O)ccc32)N1 ZINC000587839862 KK Annotated Anodyne COc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587839863 KK Annotated Clean COc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587839864 KK Annotated Clean COc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587839866 KK Annotated Clean COc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1c(O)c(OC)c(OC)c(OC)c1O2 ZINC000587839869 KK Annotated Clean C=C[C@@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587839879 KK Annotated Mild C=C[C@@]1(C)C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587839881 KK Annotated Mild C=C[C@@]1(C)C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587839884 KK Annotated Mild C=C[C@@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587839888 KK Annotated Mild C=C[C@@]1(C)C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587839891 KK Annotated Mild C=C[C@@]1(C)C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3[C@H](O)[C@H](OC(C)=O)[C@@]2(C)O1 ZINC000587839894 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587839906 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587839909 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587839912 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587839915 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587839940 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587839943 KK Annotated Anodyne Cc1c(O[C@H](C)[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587839945 KK Annotated Anodyne Cc1c(O[C@H](C)[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587839947 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587839982 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587839983 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587839984 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC3(CCC(C(C)(C)C)CC3)Oc3cc(O)ccc32)N1 ZINC000587839985 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3=C2[C@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587839992 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3=C2[C@@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587839993 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC3=C2[C@@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587839994 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC3=C2[C@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587839995 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840000 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840001 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840002 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840003 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587840012 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587840013 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587840014 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587840015 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840016 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840017 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840018 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840019 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840040 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840041 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840042 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840043 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587840044 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587840045 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587840046 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587840047 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@]5(N[C@H](C)Cc7cc(Br)c(F)cc75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587840064 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@@]5(N[C@@H](C)Cc7cc(Br)c(F)cc75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587840065 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@]5(N[C@@H](C)Cc7cc(Br)c(F)cc75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587840066 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@@]5(N[C@H](C)Cc7cc(Br)c(F)cc75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587840067 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840068 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840069 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840070 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840071 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840100 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840101 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840102 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840103 KK Annotated Reactive CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587840162 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587840163 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587840164 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)o2)cc1 ZINC000587840165 KK Annotated Anodyne Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840166 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840167 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840168 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587840169 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840182 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840183 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840184 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840185 KK Annotated Clean CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840190 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840191 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840192 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(Oc1ccc(-c3ccccc3)cc1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840193 KK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587840198 KK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587840199 KK Annotated Anodyne Cc1c(OC[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587840200 KK Annotated Anodyne Cc1c(OC[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc2c3c(c(=O)oc12)CCCC3 ZINC000587840201 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587840202 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587840203 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587840204 KK Annotated Anodyne CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)[C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 ZINC000587840205 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840218 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840219 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)C4=O)[C@@]31N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840220 KK Annotated Clean CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12C(=C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(\C)C(=O)O)C4=O)[C@@]31N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840221 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587840240 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587840241 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587840242 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4CCC5=C(CCC6(C5)OCCO6)C4=CC[C@@]32C)N1 ZINC000587840243 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587840248 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587840249 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587840250 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc1OC ZINC000587840251 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840278 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840279 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840280 KK Annotated Anodyne CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@H]3CC[C@@]12C)N[C@H](C)Cc1cc(Br)c(F)cc15 ZINC000587840281 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1O ZINC000587840286 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1O ZINC000587840287 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1O ZINC000587840288 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1O ZINC000587840289 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587840318 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587840319 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587840320 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587840321 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840342 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840348 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840349 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840350 KK Annotated Reactive COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587840351 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587840352 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587840353 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000587840354 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840369 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840371 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3=C2[C@@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587840372 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3=C2[C@@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587840373 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840374 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC3=C2[C@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587840375 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587840376 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC3=C2[C@H](C2C(=O)CCCC2=O)c2ccccc2O3)N1 ZINC000587840377 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840378 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840380 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840381 KK Annotated Anodyne CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2O)[nH]c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840383 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587840408 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587840416 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587840418 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587840421 KK Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840429 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840430 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840431 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840432 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840448 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840450 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840451 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1C[C@@H](c2ccc(-c3ccccc3)cc2)Cc2ccccc21 ZINC000587840452 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840470 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840471 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840472 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587840473 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840482 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840483 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840484 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(NS(=O)(=O)N3CCCCC3)cc2)N1 ZINC000587840485 KK Annotated Anodyne COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)N[C@H](C)Cc4ccc(F)c(Br)c42)[C@H]13 ZINC000587840500 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@]2(CO4)N[C@@H](C)Cc4ccc(F)c(Br)c42)[C@H]13 ZINC000587840501 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)N[C@@H](C)Cc4ccc(F)c(Br)c42)[C@H]13 ZINC000587840502 KK Annotated Mild COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24C[C@@]2(CO4)N[C@H](C)Cc4ccc(F)c(Br)c42)[C@H]13 ZINC000587840503 KK Annotated Mild COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587840516 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587840517 KK Annotated Clean COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587840518 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587840519 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840520 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840521 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840522 KK Annotated Clean COC1=C(c2ccc(OC)cc2)Oc2cc(O)cc(O)c2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587840523 KK Annotated Clean COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587840532 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587840533 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587840534 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3OC)O2)cc1OC ZINC000587840535 KK Annotated Anodyne COc1cc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587840536 KK Annotated Clean COc1cc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587840537 KK Annotated Clean COc1cc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587840538 KK Annotated Clean COc1cc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(cc(OC)c(OC)c3O)O2)ccc1O ZINC000587840539 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587840564 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587840565 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587840566 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccc(O)cc3C2=O)N1 ZINC000587840567 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587840598 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(N[C@H](C)Cc4ccc(F)c(Br)c42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587840599 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587840600 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@]2(N[C@@H](C)Cc4ccc(F)c(Br)c42)[C@@]2(C)[C@H]3C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]32)C1 ZINC000587840601 KK Annotated Anodyne COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840606 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840607 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840608 KK Annotated Clean COc1cc(O)c2c(c1OC)OC(c1ccccc1)=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587840609 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587840626 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587840627 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587840628 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(-c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)o2)cc1 ZINC000587840629 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587840666 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587840667 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587840668 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587840669 KK Annotated Mild Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840678 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840679 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840680 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587840681 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C([n+]1c[nH]c3ccccc31)=C(O)c1ccccc12 ZINC000587840696 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C([n+]1c[nH]c3ccccc31)=C(O)c1ccccc12 ZINC000587840697 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@H]2[C@@H]1CCCc2ccccc21 ZINC000587840726 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@H]2[C@H]1CCCc2ccccc21 ZINC000587840727 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1CCCc2ccccc21 ZINC000587840728 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1CCCc2ccccc21 ZINC000587840729 KK Annotated Anodyne COc1cc(C2=C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc(OC)c1OC ZINC000587840764 KK Annotated Anodyne COc1cc(C2=C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc(OC)c1OC ZINC000587840765 KK Annotated Anodyne COc1cc(C2=C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc(OC)c1OC ZINC000587840766 KK Annotated Anodyne COc1cc(C2=C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3O2)cc(OC)c1OC ZINC000587840767 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(C=C2Oc2cc(O)ccc21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587840806 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(C=C2Oc2cc(O)ccc21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587840807 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(C=C2Oc2cc(O)ccc21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587840808 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(C=C2Oc2cc(O)ccc21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587840809 KK Annotated Mild CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840830 KK Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840831 KK Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840832 KK Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587840833 KK Annotated Clean Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840834 KK Annotated Anodyne Cc1ccc([C@@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840835 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840836 KK Annotated Anodyne Cc1ccc([C@]2(c3ccn(S(=O)(=O)c4ccc(C)cc4)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587840837 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587840860 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587840861 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587840862 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587840863 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840910 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840911 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840912 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 ZINC000587840913 KK Annotated Reactive C[C@H](C[C@H](C)C(=O)C[C@@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587840918 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587840919 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587840920 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587840921 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840968 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840970 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840972 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C/C(=C(/c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)CC2=O)N1 ZINC000587840974 KK Annotated Clean CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840993 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587840996 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587841000 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841001 KK Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841002 KK Annotated Clean CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587841003 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841004 KK Annotated Clean CCN(CC)c1ccc2c(c1)OC(=O)[C@H](/C=C/C1=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C1(C)C)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841006 KK Annotated Clean COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587841050 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587841051 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587841053 KK Annotated Anodyne COc1ccc(OC)c([S@](=O)c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587841054 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841074 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841077 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841079 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841081 KK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587841090 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587841091 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587841092 KK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587841093 KK Annotated Clean Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841106 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841107 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841108 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587841109 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841162 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841163 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841164 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(-c3ccccc3)c2Cl)N1 ZINC000587841165 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841210 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841213 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841216 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(O)cc2O1 ZINC000587841217 KK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841242 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841243 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841244 KK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841245 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841251 KK Annotated Anodyne COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4ccc(F)c(Br)c41)c1c(O)cccc1O3)[C@@H]1C=CO[C@H]1O2 ZINC000587841253 KK Annotated Clean COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4ccc(F)c(Br)c41)c1c(O)cccc1O3)[C@H]1C=CO[C@@H]1O2 ZINC000587841254 KK Annotated Clean COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4ccc(F)c(Br)c41)c1c(O)cccc1O3)[C@H]1C=CO[C@H]1O2 ZINC000587841255 KK Annotated Clean COc1cc2c(c3c1[C@]1(N[C@H](C)Cc4ccc(F)c(Br)c41)c1c(O)cccc1O3)[C@@H]1C=CO[C@@H]1O2 ZINC000587841256 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841257 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841258 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841260 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841265 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841267 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841269 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)[C@H](C)[C@]1([C@H](C)/C=C(\C)C[C@H](C)[C@@H]2OC(=O)[C@H]2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841272 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587841273 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587841275 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587841278 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587841279 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)C[C@]1([C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587841280 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587841287 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587841289 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587841292 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2scc(Br)c2Br)N1 ZINC000587841293 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2scc(Br)c2Br)N1 ZINC000587841298 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2scc(Br)c2Br)N1 ZINC000587841300 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2scc(Br)c2Br)N1 ZINC000587841301 KK Annotated Reactive CSc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587841317 KK Annotated Bother COC(=O)c1ccccc1Sc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C ZINC000587841325 KK Annotated Anodyne CSc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587841327 KK Annotated Bother CSc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587841329 KK Annotated Bother COC(=O)c1ccccc1Sc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C ZINC000587841330 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C ZINC000587841331 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(-c2ccccc2)nn1C ZINC000587841333 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841335 KK Annotated Anodyne CSc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1[N+](=O)[O-] ZINC000587841337 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841338 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841341 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841342 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841345 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841348 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841350 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841351 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841353 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841356 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587841357 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841358 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587841359 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587841363 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587841365 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587841367 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841383 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841388 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841390 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587841393 KK Annotated Mild Cc1ccc(Sc2oc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Br)cc1 ZINC000587841449 KK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Br)cc1 ZINC000587841452 KK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2Br)cc1 ZINC000587841453 KK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2Br)cc1 ZINC000587841454 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587841456 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587841460 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587841461 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1Cl ZINC000587841462 KK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587841474 KK Annotated Clean COc1ccccc1Sc1cc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587841475 KK Annotated Clean COc1ccccc1Sc1cc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587841476 KK Annotated Clean COc1ccccc1Sc1cc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1 ZINC000587841477 KK Annotated Clean Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587841503 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587841505 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4cccc5ccccc45)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587841508 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4cccc5ccccc45)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587841510 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587841527 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587841528 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587841529 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1cc(C)ccc1C ZINC000587841530 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587841626 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587841628 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587841629 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587841631 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841632 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841638 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841640 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587841641 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2[C@@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587841642 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841643 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2[C@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587841644 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841645 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@H]2[C@@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587841646 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841647 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2sc(Cl)c(Cl)c2Cl)N1 ZINC000587841648 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC(=O)[C@@H]2[C@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587841649 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841681 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841684 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841687 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841689 KK Annotated Mild COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841696 KK Annotated Anodyne COc1cc(O)cc2c1[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841699 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841701 KK Annotated Anodyne COc1cc(O)cc2c1[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841702 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587841719 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587841720 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587841721 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587841722 KK Annotated Bother C[C@H](C[C@H](C)[C@@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587841751 KK Annotated Anodyne C[C@H](C[C@H](C)[C@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587841752 KK Annotated Anodyne C[C@H](C[C@H](C)[C@@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587841753 KK Annotated Anodyne C[C@H](C[C@H](C)[C@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2cc(Br)c(F)cc21)C[C@H](C)CCC(=O)O ZINC000587841754 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841755 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841756 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841757 KK Annotated Anodyne COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841758 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587841795 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587841798 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587841800 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587841802 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841832 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841834 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841837 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587841840 KK Annotated Mild Cc1ccc(Cn2nc(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2SCC(=O)O)cc1 ZINC000587841843 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2SCC(=O)O)cc1 ZINC000587841846 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2SCC(=O)O)cc1 ZINC000587841848 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2SCC(=O)O)cc1 ZINC000587841851 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587841852 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587841855 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587841858 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C/C(=C(\c3ccc(O)c(O)c3)c3ccccc3S(=O)(=O)O)C=CC2=O)N1 ZINC000587841860 KK Annotated Mild CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841861 KK Annotated Anodyne CCC[C@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841863 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841865 KK Annotated Anodyne CCC[C@@]1(c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587841867 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587841882 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587841885 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587841886 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587841887 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587841888 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587841892 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587841893 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587841894 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587841898 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587841901 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587841903 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587841905 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587841916 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587841918 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587841919 KK Annotated Reactive Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587841922 KK Annotated Reactive CC(=O)S[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587841925 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1ccc(F)c(Br)c13 ZINC000587841929 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587841932 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1ccc(F)c(Br)c13 ZINC000587841935 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587841955 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587841959 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587841961 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587841963 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587841965 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587841968 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587841970 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587841972 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842030 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842031 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842032 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842033 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C ZINC000587842041 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C ZINC000587842043 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C ZINC000587842044 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(-c2ccccc2)nn1C ZINC000587842046 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842059 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842064 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842067 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842070 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842079 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842084 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842085 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842086 KK Annotated Anodyne C[C@H](C[C@H](C)[C@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587842117 KK Annotated Anodyne C[C@H](C[C@H](C)[C@@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587842120 KK Annotated Anodyne C[C@H](C[C@H](C)[C@@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587842123 KK Annotated Anodyne C[C@H](C[C@H](C)[C@]1(CC(=O)[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]2CC[C@@](C)([C@H]3CC[C@@](C)([C@@H](C)O)O3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21)C[C@H](C)CCC(=O)O ZINC000587842124 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587842198 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587842199 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587842201 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)N1 ZINC000587842203 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842204 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842205 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842206 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587842207 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(C=C2Oc2cc(O)ccc21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587842208 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(C=C2Oc2cc(O)ccc21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587842209 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@]3(C=C2Oc2cc(O)ccc21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587842210 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C1=C2C=C[C@@]3(C=C2Oc2cc(O)ccc21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587842212 KK Annotated Mild Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842224 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842232 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842234 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842236 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587842262 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587842265 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587842267 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n[nH]1 ZINC000587842269 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587842271 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587842275 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587842278 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587842281 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587842295 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587842297 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587842299 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587842300 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587842312 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587842315 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587842317 KK Annotated Bother COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000587842319 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842328 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842330 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842332 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842334 KK Annotated Bother CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842350 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842354 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842355 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842357 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842386 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587842387 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842388 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587842389 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842390 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587842391 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842392 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000587842393 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587842398 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587842399 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587842400 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587842401 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842406 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842407 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842408 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587842409 KK Annotated Anodyne COc1ccc(Sc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587842498 KK Annotated Anodyne COc1ccc(Sc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587842499 KK Annotated Anodyne COc1ccc(Sc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587842500 KK Annotated Anodyne COc1ccc(Sc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(-c3ccccc3)nn2C)cc1 ZINC000587842501 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587842502 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587842503 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587842504 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587842505 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc(OC)c1OC ZINC000587842524 KK Annotated Anodyne COc1cc(/C=C2/Oc3cc(OCC(=O)O)ccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc(OC)c1OC ZINC000587842525 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc(OC)c1OC ZINC000587842526 KK Annotated Anodyne COc1cc(/C=C2\Oc3cc(OCC(=O)O)ccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc(OC)c1OC ZINC000587842527 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC2)N1 ZINC000587842536 KK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842537 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC2)N1 ZINC000587842538 KK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842539 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587842552 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587842553 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587842554 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3c(O)cccc3C2=O)N1 ZINC000587842555 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842576 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842577 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842578 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7cc(Br)c(F)cc76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587842579 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587842592 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587842593 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587842594 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1OC ZINC000587842595 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842612 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842615 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842617 KK Annotated Anodyne COc1cc2c(cc1CC=C(C)C)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842618 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842619 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)N1 ZINC000587842620 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587842624 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587842625 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccsc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587842626 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccsc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 ZINC000587842627 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c([N+](=O)[O-])c1 ZINC000587842628 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c([N+](=O)[O-])c1 ZINC000587842629 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c([N+](=O)[O-])c1 ZINC000587842630 KK Annotated Bother CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2OC)c([N+](=O)[O-])c1 ZINC000587842631 KK Annotated Bother Cc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587842664 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587842665 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587842666 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587842667 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842703 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842705 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842707 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587842710 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587842742 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587842743 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587842744 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587842745 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842754 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842755 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842756 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587842757 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842766 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842767 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842768 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587842769 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587842778 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2/N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587842779 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2/N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587842780 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587842781 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842807 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842808 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842810 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(SCc3ccc(Cl)c(Cl)c3)n2C)N1 ZINC000587842812 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587842862 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587842863 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587842864 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2NC(=O)c2ccccc2C(=O)O)N1 ZINC000587842865 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587842882 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587842883 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587842884 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587842885 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)N1 ZINC000587842914 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587842915 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587842916 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587842917 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587842918 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587842919 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587842942 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587842944 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587842946 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587842947 KK Annotated Anodyne Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587842949 KK Annotated Clean Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587842951 KK Annotated Clean Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587842952 KK Annotated Clean Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC000587842954 KK Annotated Clean Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842956 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842957 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842959 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587842960 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842993 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842994 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842996 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(C(C)(C)C)[nH]c3ccc(S(=O)(=O)N(C)C)cc23)N1 ZINC000587842997 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587843022 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587843024 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587843026 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3cc(Br)cnc3n2S(=O)(=O)c2ccccc2)N1 ZINC000587843028 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587843041 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587843042 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587843044 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 ZINC000587843045 KK Annotated Reactive COc1ccc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccc4ccccc4c3O2)cc1OC ZINC000587843057 KK Annotated Anodyne COc1ccc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccc4ccccc4c3O2)cc1OC ZINC000587843059 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccc4ccccc4c3O2)cc1OC ZINC000587843062 KK Annotated Anodyne COc1ccc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccc4ccccc4c3O2)cc1OC ZINC000587843065 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843096 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843097 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587843098 KK Annotated Bother CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843099 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843100 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843101 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843102 KK Annotated Anodyne CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843103 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587843104 KK Annotated Bother CC(C)Oc1ccc2c(c1)Oc1ccc(C(=O)O)cc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843105 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587843106 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587843107 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587843109 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587843112 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587843114 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587843115 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843136 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843139 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843140 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843141 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587843142 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587843143 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587843144 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587843145 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843154 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843155 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843156 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587843157 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843174 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843175 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843176 KK Annotated Anodyne Cc1nn(Cc2ccc(Cl)cc2)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843177 KK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587843190 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587843191 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587843192 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 ZINC000587843194 KK Annotated Reactive COC(=O)c1ccccc1Sc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1C ZINC000587843211 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1C ZINC000587843219 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1C ZINC000587843221 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)nn1C ZINC000587843223 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587843230 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587843231 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587843232 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587843233 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843250 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843251 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843252 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843253 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C ZINC000587843312 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C ZINC000587843313 KK Annotated Anodyne C/C=C(\NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843314 KK Annotated Anodyne C/C=C(/NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843315 KK Annotated Anodyne C/C=C(/NOC/C=C\Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843316 KK Annotated Anodyne C/C=C(\NOC/C=C/Cl)[C@@H]1C(=O)C[C@H](C[C@H](C)SCC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587843317 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587843322 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587843323 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587843324 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)N1 ZINC000587843325 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587843332 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587843333 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587843334 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(S(=O)(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)c2)N1 ZINC000587843335 KK Annotated Anodyne COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587843344 KK Annotated Bother COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587843345 KK Annotated Bother COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587843346 KK Annotated Bother COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000587843347 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587843348 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587843349 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587843350 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(n1cnc3ccccc31)=C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc12 ZINC000587843351 KK Annotated Mild Cc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587843352 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587843353 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587843354 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)cc1 ZINC000587843355 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587843356 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587843357 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587843358 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)cc1 ZINC000587843359 KK Annotated Anodyne C=CCn1c(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1=NS(=O)(=O)c1cccs1 ZINC000587843364 KK Annotated Mild C=CCn1c(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1=NS(=O)(=O)c1cccs1 ZINC000587843365 KK Annotated Mild C=CCn1c(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1=NS(=O)(=O)c1cccs1 ZINC000587843366 KK Annotated Mild C=CCn1c(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)sc1=NS(=O)(=O)c1cccs1 ZINC000587843367 KK Annotated Mild Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587843368 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587843369 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@]3(CN4C(=O)c5ccccc5C4=O)N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587843370 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CN4C(=O)c5ccccc5C4=O)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 ZINC000587843371 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccc(/C=C3\C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587843372 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\c1ccc(/C=C3/C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587843373 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccc(/C=C3/C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587843374 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/c1ccc(/C=C3\C(=O)[C@@]4(CS(=O)(=O)O)CC[C@H]3C4(C)C)cc1)[C@H]1CC[C@@]2(CS(=O)(=O)O)C1(C)C ZINC000587843375 KK Annotated Mild COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587843376 KK Annotated Anodyne COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587843377 KK Annotated Anodyne COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587843378 KK Annotated Anodyne COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000587843379 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587843394 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587843395 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@@]3(c4ccc(Cl)cc4Cl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587843396 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c([C@]3(c4ccc(Cl)cc4Cl)N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn2C)cc1 ZINC000587843397 KK Annotated Anodyne COc1ccccc1Sc1cc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587843430 KK Annotated Clean COc1ccccc1Sc1cc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587843431 KK Annotated Clean COc1ccccc1Sc1cc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587843432 KK Annotated Clean COc1ccccc1Sc1cc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1 ZINC000587843433 KK Annotated Clean Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587843442 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587843447 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587843451 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000587843453 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@H]2[C@@H]1CCCc2ccccc21 ZINC000587843471 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@H]2[C@H]1CCCc2ccccc21 ZINC000587843475 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@H]1CCCc2ccccc21 ZINC000587843479 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC(=O)[C@@H]2[C@@H]1CCCc2ccccc21 ZINC000587843484 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587843510 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587843515 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587843518 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587843519 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587843520 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C ZINC000587843521 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587843522 KK Annotated Anodyne COC(=O)c1ccccc1Sc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)nn1C ZINC000587843523 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587843524 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587843526 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843544 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843546 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843548 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843551 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843552 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843553 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843554 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843556 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587843559 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843564 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843569 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843574 KK Annotated Mild CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000587843613 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843623 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000587843625 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843627 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843657 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843658 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843659 KK Annotated Anodyne CC[C@@H]1C(=O)O[C@H]1[C@@H](C)C/C(C)=C/[C@@H](C)[C@@]1([C@@H](C)[C@H](O)[C@H](C)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587843660 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843667 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843669 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843672 KK Annotated Anodyne CC1=C(Oc2ccc(-c3ccccc3)cc2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(O)cc2O1 ZINC000587843675 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587843677 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587843678 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587843679 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587843681 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587843720 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587843721 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587843722 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587843723 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587843774 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587843776 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587843777 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br ZINC000587843780 KK Annotated Anodyne COc1ccc(Sc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587843791 KK Annotated Anodyne COc1ccc(Sc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587843793 KK Annotated Anodyne COc1ccc(Sc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587843796 KK Annotated Anodyne COc1ccc(Sc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(-c3ccccc3)nn2C)cc1 ZINC000587843798 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843829 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843836 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843839 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587843842 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843844 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843846 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843849 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843851 KK Annotated Mild CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843897 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843902 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843903 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843904 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843905 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843906 KK Annotated Anodyne CC(=O)C[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587843907 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587843908 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2SCC(=O)O)cc1 ZINC000587843958 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2SCC(=O)O)cc1 ZINC000587843959 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2SCC(=O)O)cc1 ZINC000587843960 KK Annotated Anodyne Cc1ccc(Cn2nc(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2SCC(=O)O)cc1 ZINC000587843964 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843976 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587843983 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843984 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843985 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587843986 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587843987 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587843988 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587843989 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1O ZINC000587844003 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]1O ZINC000587844004 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]1O ZINC000587844005 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]1O ZINC000587844006 KK Annotated Mild CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844022 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844024 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844026 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844027 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844050 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844051 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844052 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844053 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587844062 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587844063 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587844064 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccc(Br)cc2)N1 ZINC000587844065 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2scc(Br)c2Br)N1 ZINC000587844082 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2scc(Br)c2Br)N1 ZINC000587844083 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2scc(Br)c2Br)N1 ZINC000587844084 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2scc(Br)c2Br)N1 ZINC000587844085 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587844091 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587844094 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587844097 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587844099 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587844116 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587844120 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587844121 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587844123 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587844135 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587844139 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587844141 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587844142 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587844146 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587844147 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587844148 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587844149 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587844150 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587844151 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587844152 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844153 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587844154 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844155 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844156 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844159 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587844185 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587844186 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587844187 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(-c3ccco3)o2)(c2ccc3c(c2)CCC3)N1 ZINC000587844188 KK Annotated Anodyne CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587844225 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587844226 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587844227 KK Annotated Reactive CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 ZINC000587844228 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587844243 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587844248 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587844249 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587844251 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844257 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844258 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844259 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844260 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844266 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844268 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844270 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844272 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844273 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844274 KK Annotated Anodyne CC(=O)C[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844275 KK Annotated Anodyne CC(=O)C[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587844276 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587844312 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587844313 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587844314 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587844315 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587844330 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587844331 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587844333 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2scc(Br)c2C(=O)O)N1 ZINC000587844334 KK Annotated Anodyne COc1cc(C2=C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc(OC)c1OC ZINC000587844337 KK Annotated Anodyne COc1cc(C2=C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc(OC)c1OC ZINC000587844338 KK Annotated Anodyne COc1cc(C2=C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc(OC)c1OC ZINC000587844340 KK Annotated Anodyne COc1cc(C2=C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3O2)cc(OC)c1OC ZINC000587844343 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587844358 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587844359 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587844360 KK Annotated Anodyne CCOC(=O)c1c(Nc2ccccc2)sc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1Cl ZINC000587844361 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844402 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844403 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844404 KK Annotated Anodyne CCOC(=O)c1sc(Nc2ccccc2)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844405 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587844430 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587844431 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587844432 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(SC3CN(C(=O)OC(C)(C)C)C3)cc2)N1 ZINC000587844433 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587844525 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844527 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587844529 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844530 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587844532 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844534 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587844535 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844538 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587844539 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587844543 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587844545 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844546 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CSc4ncccn4)cc(Cl)cc3c2=O)N1 ZINC000587844548 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844563 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587844565 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844566 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587844567 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587844570 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587844572 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587844575 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2/N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587844603 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2/N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587844605 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587844607 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\N(C)c3ccccc3C2(C)C)(CSc2ccccc2C(=O)O)N1 ZINC000587844609 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844621 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844622 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844624 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844626 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844629 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844631 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844633 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844635 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844636 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844638 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3ccccc3C2=O)N1 ZINC000587844639 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587844640 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@@]5(N[C@@H](C)Cc7ccc(F)c(Br)c75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587844651 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@]5(N[C@@H](C)Cc7ccc(F)c(Br)c75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587844659 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@]5(N[C@H](C)Cc7ccc(F)c(Br)c75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587844666 KK Annotated Anodyne CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=C[C@@]5(N[C@H](C)Cc7ccc(F)c(Br)c75)[C@]6(C)[C@H]4CC[C@@]32C)C1 ZINC000587844671 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844679 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844683 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844686 KK Annotated Anodyne CCOC(=O)c1c(Nc2nc3ccccc3nc2Cl)sc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587844691 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844730 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)N1 ZINC000587844731 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H](C)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)N1 ZINC000587844733 KK Annotated Anodyne C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587844735 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2[C@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587844749 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@H]2[C@@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587844751 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2[C@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587844755 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC(=O)[C@@H]2[C@@H]2C3=C(CCCC3=O)Oc3ccccc32)N1 ZINC000587844760 KK Annotated Mild CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587844782 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587844783 KK Annotated Reactive COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587844784 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587844785 KK Annotated Reactive CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587844786 KK Annotated Reactive COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587844787 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587844789 KK Annotated Anodyne COc1ccc(C2=C(C)Oc3cc(O)ccc3[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1OC ZINC000587844790 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844791 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844792 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844793 KK Annotated Anodyne CC[C@H]([C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C)[C@]1([C@@H](C)[C@@H](O)[C@H](C)[C@@H]2O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]2C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844794 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587844806 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587844807 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587844808 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)O)c4ccc(OCC(=O)O)cc4OC3=C2)N1 ZINC000587844809 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC2)N1 ZINC000587844810 KK Annotated Anodyne C[C@H]1CCC[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587844811 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCCCc3cc(O)cc(O)c3C(=O)O[C@@H](C)CCC2)N1 ZINC000587844812 KK Annotated Anodyne C[C@H]1CCC[C@@]2(CCCCCc3cc(O)cc(O)c3C(=O)O1)N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587844813 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844818 KK Annotated Anodyne CCC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587844819 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000587844820 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@]1([C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)N[C@H](C)Cc2ccc(F)c(Br)c21)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000587844821 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]1O ZINC000587844826 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1O ZINC000587844827 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]1O ZINC000587844828 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H]1OC(=O)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]1O ZINC000587844829 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587844830 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587844831 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587844832 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Oc1ccc(-c3ccccc3)cc1)=COc1cc(O)ccc12 ZINC000587844833 KK Annotated Anodyne COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844904 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844906 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844907 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844909 KK Annotated Mild Cc1ccc([C@]2(c3cc(Br)sc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844933 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844934 KK Annotated Anodyne Cc1ccc([C@]2(c3cc(Br)sc3N)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844935 KK Annotated Anodyne Cc1ccc([C@@]2(c3cc(Br)sc3N)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587844936 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844971 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844972 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844975 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(c2ccc(OCC(=O)O)c(Cl)c2Cl)N1 ZINC000587844976 KK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Br)cc1 ZINC000587844993 KK Annotated Anodyne Cc1ccc(Sc2oc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Br)cc1 ZINC000587844994 KK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2Br)cc1 ZINC000587844995 KK Annotated Anodyne Cc1ccc(Sc2oc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2Br)cc1 ZINC000587844997 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845029 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845034 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845038 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845039 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845040 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845041 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587845042 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587845043 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587845044 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587845045 KK Annotated Anodyne CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845054 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845055 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845056 KK Annotated Reactive CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845057 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587845070 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587845071 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587845072 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 ZINC000587845073 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587845098 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587845099 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587845100 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587845101 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845118 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845119 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845120 KK Annotated Anodyne CCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587845121 KK Annotated Anodyne CSc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587845126 KK Annotated Bother CSc1ccc([C@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587845127 KK Annotated Bother CSc1ccc([C@@]2(c3ccccc3C(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587845128 KK Annotated Bother CSc1ccc([C@]2(c3ccccc3C(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1[N+](=O)[O-] ZINC000587845129 KK Annotated Bother CC(C)=CCc1c(O)cc2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845156 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845157 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)[C@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845158 KK Annotated Clean CC(C)=CCc1c(O)cc2c(c1O)[C@@]1(C[C@@H](c3ccc(O)cc3)O2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845159 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587845182 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587845183 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587845184 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3ccc(O)cc3)Oc3c(-c4c(O)cc5c(c4O)C(=O)C[C@@H](c4ccc(O)cc4)O5)c(O)cc(O)c32)N1 ZINC000587845185 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587845186 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587845187 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@H](c2ccccc2)[C@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587845188 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C[C@@H](c2ccccc2)[C@@H]2C(=O)Oc3cc(O)ccc3C2=O)N1 ZINC000587845189 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587845190 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C\[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587845191 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C/[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587845192 KK Annotated Anodyne CCCCCC[C@H](C)C/C(C)=C/[C@H](/C=C(C)/C=C\[C@H](O)C(C)(C)C1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]([C@@H]2O[C@H](CO)C[C@H](O)[C@H]2O)C(=O)O1)CO ZINC000587845193 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587845205 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587845210 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@@]6(N[C@@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587845214 KK Annotated Anodyne CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@@]2(O)CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=C[C@]6(N[C@H](C)Cc7ccc(F)c(Br)c76)[C@]5(C)[C@H]4CC[C@@]32C)C1 ZINC000587845219 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587845238 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587845242 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587845245 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccccc4C(=O)OCc4ccccc4)c4ccc(OCc5ccccc5)cc4OC3=C2)N1 ZINC000587845248 KK Annotated Anodyne CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845277 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845281 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845284 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845287 KK Annotated Unstable COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845291 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845294 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845297 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845298 KK Annotated Anodyne COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845299 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587845301 KK Annotated Bother COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(Cl)cc2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587845303 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587845305 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587845310 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587845314 KK Annotated Bother COC(=O)c1ccc([C@]2(C(Br)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587845348 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587845355 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587845357 KK Annotated Reactive COC(=O)c1ccc([C@]2(C(Br)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587845359 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2scc(Br)c2Br)N1 ZINC000587845366 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2scc(Br)c2Br)N1 ZINC000587845368 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2scc(Br)c2Br)N1 ZINC000587845370 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2scc(Br)c2Br)N1 ZINC000587845372 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587845419 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587845422 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587845424 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587845425 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587845426 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587845427 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587845428 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)(c2ccccn2)N1 ZINC000587845429 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587845455 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587845460 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587845463 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587845467 KK Annotated Unstable Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845492 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845493 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845494 KK Annotated Reactive Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587845495 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587845520 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587845522 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587845523 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ncc(CO)n2C)(c2ccc(Cl)cc2)N1 ZINC000587845525 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587845537 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587845539 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587845540 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587845542 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587845543 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587845544 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587845545 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](CSC(c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)OCC2c3ccccc3-c3ccccc32)N1 ZINC000587845547 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587845552 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587845553 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587845554 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnnn2-c2ccccc2)(c2cccc3ccccc23)N1 ZINC000587845555 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845556 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845557 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845558 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCCN(CC)CC)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845559 KK Annotated Mild CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845560 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845561 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845562 KK Annotated Anodyne CC[C@]1(C)C[C@@H](OC(=O)CSc2nc(N)n[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CC[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]32)[C@@H](C)[C@@H]1O ZINC000587845563 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587845580 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587845581 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587845582 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587845583 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845584 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845585 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845586 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845587 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845604 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845605 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845606 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1-c1ccc(SCC(=O)O)c3cccc2c13 ZINC000587845607 KK Annotated Anodyne CCCCSC1=C(SCCCC)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587845608 KK Annotated Mild CCCCSC1=C(SCCCC)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587845609 KK Annotated Mild CCCCSC1=C(SCCCC)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587845610 KK Annotated Mild CCCCSC1=C(SCCCC)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2C1=O ZINC000587845611 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2scc(Br)c2Br)N1 ZINC000587845642 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2scc(Br)c2Br)N1 ZINC000587845645 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587845646 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2scc(Br)c2Br)N1 ZINC000587845647 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2scc(Br)c2Br)N1 ZINC000587845648 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587845650 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587845652 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587845655 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587845712 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587845719 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587845721 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587845724 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587845884 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@@H](C)Cc1cc(Br)c(F)cc13 ZINC000587845886 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587845887 KK Annotated Anodyne CC(=O)S[C@@H]1CC2=C[C@@]3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]21)N[C@H](C)Cc1cc(Br)c(F)cc13 ZINC000587845889 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587845899 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587845907 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587845909 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587845911 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587845913 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845915 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845916 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845917 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587845918 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587845919 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587845920 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587845921 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587845922 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587845924 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587845925 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587845926 KK Annotated Bother COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845928 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845931 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845933 KK Annotated Anodyne COc1ccc(OC)c(Sc2cccc(OC)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587845934 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845951 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845953 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845954 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587845956 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587845963 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587845964 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587845965 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(NC(=O)CSCCC(=O)ON5C(=O)CCC5=O)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587845966 KK Annotated Mild CCCOc1ccn2c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587846016 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587846017 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587846018 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587846019 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587846065 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587846066 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587846067 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c(Sc3ccc(Cl)cc3)o2)N1 ZINC000587846068 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587846081 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587846082 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587846083 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(NC(=S)NN)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587846086 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587846093 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587846094 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587846095 KK Annotated Anodyne CCOC(=O)c1sc(N)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587846096 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587846105 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587846107 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587846110 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br ZINC000587846113 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587846236 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587846237 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587846238 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)nc(Sc3ccc(Cl)cc3)n2-c2ccccc2)N1 ZINC000587846239 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587846272 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587846273 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587846274 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587846275 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)N1 ZINC000587846300 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)N1 ZINC000587846301 KK Annotated Anodyne COc1ccc([C@@H]2C[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587846336 KK Annotated Clean COc1ccc([C@@H]2C[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587846337 KK Annotated Clean COc1ccc([C@@H]2C[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587846338 KK Annotated Clean COc1ccc([C@@H]2C[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587846339 KK Annotated Clean CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846363 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846366 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846367 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587846368 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846369 KK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846372 KK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846373 KK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587846374 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587846399 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587846401 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587846402 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587846403 KK Annotated Reactive CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846404 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846405 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846406 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846408 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587846436 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587846440 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587846442 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587846443 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587846473 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587846475 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587846476 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587846477 KK Annotated Anodyne CCC([C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846511 KK Annotated Unstable CCC([C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846523 KK Annotated Unstable CCC([C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846529 KK Annotated Unstable CCC([C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846532 KK Annotated Unstable COP(=O)(C[C@]1(COc2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846558 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846564 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846567 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587846569 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587846578 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587846581 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587846583 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccnc2Sc2ccc(Br)cc2)N1 ZINC000587846586 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587846637 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587846638 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587846639 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1N(C)S(=O)(=O)c1cc(Cl)ccc12 ZINC000587846640 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587846690 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587846691 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587846692 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CSc4nncn4C)cc(Cl)cc3c2=O)N1 ZINC000587846693 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)N1 ZINC000587846707 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CSc3ccc4ccccc4c3)CC2)N1 ZINC000587846709 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587846725 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587846726 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587846728 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C ZINC000587846729 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587846734 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587846737 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587846738 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587846740 KK Annotated Reactive COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846756 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846757 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846758 KK Annotated Bother COc1ccc(OC)c(Sc2ccc([N+](=O)[O-])cc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587846759 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587846770 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587846771 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587846772 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSc2nnc(-c3cccc(Br)c3)o2)N1 ZINC000587846773 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846786 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846787 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846788 KK Annotated Anodyne Cc1ccc(SCc2nn(C)c(Sc3ccc(Br)cc3)c2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587846789 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587846856 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587846857 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587846858 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587846859 KK Annotated Clean C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587846884 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587846885 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587846886 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587846887 KK Annotated Anodyne CC([C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846943 KK Annotated Unstable CC([C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846944 KK Annotated Unstable CC([C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846945 KK Annotated Unstable CC([C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587846946 KK Annotated Unstable Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846988 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846990 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846991 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(Sc2cccc3cccnc23)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587846994 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587847022 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587847024 KK Annotated Bother CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587847025 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587847026 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587847027 KK Annotated Bother CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C ZINC000587847028 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587847029 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587847030 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587847031 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccccc3)c2)N1 ZINC000587847032 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587847033 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(C=O)c(Br)c2Br)N1 ZINC000587847034 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587847035 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587847039 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847050 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847052 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847055 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847058 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587847061 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587847064 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587847068 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587847072 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587847073 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587847074 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587847076 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccccc3)nn(C)c2Sc2ccccc2)N1 ZINC000587847077 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587847084 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587847085 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587847086 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(S(=O)(=O)Cl)cn2C)(C(Cl)(Cl)Cl)N1 ZINC000587847088 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587847113 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587847114 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587847119 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587847120 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587847121 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587847122 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587847131 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587847133 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587847138 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587847139 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587847210 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847222 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587847223 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847224 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587847225 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847226 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587847227 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847228 KK Annotated Bother CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847276 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847282 KK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847284 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 ZINC000587847286 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847289 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847291 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847294 KK Annotated Anodyne CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587847296 KK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587847299 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587847301 KK Annotated Anodyne CSc1nccc(C[C@]2(c3ccc(Cl)c(Cl)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587847302 KK Annotated Anodyne CSc1nccc(C[C@@]2(c3ccc(Cl)c(Cl)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 ZINC000587847304 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587847494 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587847495 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587847497 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(-c4ccc(Br)s4)s3)s2)N1 ZINC000587847498 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587847533 KK Annotated Anodyne COc1ccc([C@]2(CSc3n[nH]c(C)n3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587847535 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587847538 KK Annotated Anodyne COc1ccc([C@@]2(CSc3n[nH]c(C)n3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br ZINC000587847540 KK Annotated Anodyne COC(=O)C([C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587847541 KK Annotated Unstable CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847543 KK Annotated Anodyne COC(=O)C([C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587847546 KK Annotated Unstable CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847547 KK Annotated Anodyne CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847549 KK Annotated Anodyne COC(=O)C([C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587847550 KK Annotated Unstable CCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847551 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587847554 KK Annotated Anodyne COC(=O)C([C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587847555 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587847557 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587847559 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3ccccc3Cl)n(C)c3ccccc23)N1 ZINC000587847563 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587847618 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587847620 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587847624 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSCC(=O)Nc2ccccc2Cl)(c2ccccc2)N1 ZINC000587847626 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587847646 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587847649 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587847652 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587847654 KK Annotated Anodyne CCCCSC1=C(SCCCC)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587847693 KK Annotated Mild CCCCSC1=C(SCCCC)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587847695 KK Annotated Mild CCCCSC1=C(SCCCC)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587847697 KK Annotated Mild CCCCSC1=C(SCCCC)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2C1=O ZINC000587847699 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847704 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847705 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847706 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccc(S(=O)(=O)Cl)cc2)(c2ccccc2)N1 ZINC000587847707 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587847712 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587847713 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587847714 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587847715 KK Annotated Mild Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587847766 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587847771 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587847773 KK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587847776 KK Annotated Anodyne Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847780 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847783 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847785 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587847788 KK Annotated Reactive COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847807 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@@]2(CC(C)(C)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847808 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847810 KK Annotated Mild COc1ccc(-c2c(C#N)c(S)nc3c2[C@]2(CC(C)(C)C3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587847811 KK Annotated Mild CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587847832 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587847833 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587847834 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Cl)cc2)sc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C ZINC000587847835 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847980 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847981 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847982 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)N1 ZINC000587847983 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587848008 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587848009 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587848010 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSc2nc3cc(Cl)c4cccnc4c3o2)N1 ZINC000587848011 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587848012 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587848013 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587848014 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(SCc3ccccc3)ncn2-c2ccccc2)N1 ZINC000587848015 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848032 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848033 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848034 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587848035 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587848085 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587848087 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587848089 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)n[nH]1 ZINC000587848092 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587848132 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587848133 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587848134 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 ZINC000587848135 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587848219 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587848220 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587848221 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587848223 KK Annotated Mild Cc1ccc(/C=C/[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587848250 KK Annotated Unstable Cc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587848251 KK Annotated Unstable Cc1ccc(/C=C/[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587848252 KK Annotated Unstable Cc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587848253 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848254 KK Annotated Unstable CCOC(=O)C[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848255 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848257 KK Annotated Unstable CCOC(=O)C[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587848258 KK Annotated Unstable Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848364 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587848368 KK Annotated Clean Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848369 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587848370 KK Annotated Clean Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848371 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587848372 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=S=C(c3ccc(-c4ccc(C=O)s4)s3)C=C2)N1 ZINC000587848373 KK Annotated Clean Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848374 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587848388 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587848391 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587848394 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl ZINC000587848399 KK Annotated Reactive COC(=O)C([C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587848413 KK Annotated Unstable COC(=O)C([C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587848415 KK Annotated Unstable COC(=O)C([C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587848419 KK Annotated Unstable COC(=O)C([C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587848421 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587848472 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587848473 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587848474 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 ZINC000587848475 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587848537 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587848538 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587848539 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3ccc(Br)cc3)c([N+](=O)[O-])c2)N1 ZINC000587848540 KK Annotated Bother COc1cccc(SC[C@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848545 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848546 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccc(Br)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848547 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587848548 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587848549 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587848550 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587848551 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccc2C(=O)O)(c2ccc(-c3ccccc3)cc2)N1 ZINC000587848552 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848826 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848828 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848829 KK Annotated Anodyne Cc1nn(Cc2ccccc2Cl)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587848831 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587848833 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587848835 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587848837 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3ccc(Br)cc3)n(C)c3ccccc23)N1 ZINC000587848839 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587848845 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587848848 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587848849 KK Annotated Anodyne COc1cccc(SC[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587848850 KK Annotated Anodyne COc1cccc(SC[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587848851 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587848852 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587848854 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587848856 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587849024 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587849025 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587849026 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2ccccn2)(c2ccc(Br)cc2)N1 ZINC000587849027 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587849048 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587849051 KK Annotated Anodyne Cc1nc(SC[C@]2(c3ccc4c(c3)CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587849053 KK Annotated Anodyne Cc1nc(SC[C@@]2(c3ccc4c(c3)CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C ZINC000587849055 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587849064 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587849067 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587849070 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)N1 ZINC000587849071 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587849080 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587849081 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587849082 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(SCc3ccc(Cl)cc3)n(C)c3ccccc23)N1 ZINC000587849083 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587849085 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587849086 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587849088 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2SCc2ccc(Cl)cc2)N1 ZINC000587849089 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587849091 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587849092 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587849095 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3c(Cl)cccc3Cl)n(C)c3ccccc23)N1 ZINC000587849097 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849114 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849116 KK Annotated Anodyne CCc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849118 KK Annotated Anodyne CCc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587849121 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587849194 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 ZINC000587849195 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587849196 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cc(S(=O)(=O)Cl)ccc1-c1ccc(S(=O)(=O)Cl)cc12 ZINC000587849197 KK Annotated Unstable COc1ccc([C@@H]2C[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587849210 KK Annotated Clean COc1ccc([C@@H]2C[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587849213 KK Annotated Clean COc1ccc([C@@H]2C[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587849216 KK Annotated Clean COc1ccc([C@@H]2C[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3c(O)cc(OC)cc3O2)cc1 ZINC000587849219 KK Annotated Clean C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587849221 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587849224 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587849226 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(c3ccc(S(C)(=O)=O)cc3)=C2Br)N1 ZINC000587849228 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849262 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587849270 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587849271 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587849272 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2(CC(=O)O)CCCCC2)(c2ccc(Cl)s2)N1 ZINC000587849273 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587849350 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587849351 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587849352 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)N1 ZINC000587849353 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587849354 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849355 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849356 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849357 KK Annotated Unstable CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587849359 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587849360 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 ZINC000587849361 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587849395 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587849408 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587849409 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587849410 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849458 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849459 KK Annotated Anodyne COP(=O)(C[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849460 KK Annotated Anodyne COP(=O)(C[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587849461 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849512 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849513 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849514 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849515 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587849544 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587849545 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587849546 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587849547 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587849560 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587849561 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587849562 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587849563 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849718 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849719 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849720 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c(S(=O)(=O)Cl)n2C)(C(Cl)(Cl)Cl)N1 ZINC000587849721 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849726 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849727 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849728 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849729 KK Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849734 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849735 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849736 KK Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849737 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849742 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849743 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849744 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(Br)c(S(=O)(=O)Cl)[nH]2)(C(Cl)(Cl)Cl)N1 ZINC000587849745 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587849782 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587849783 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587849784 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2cccc(S(C)(=O)=O)c2)N1 ZINC000587849785 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587849926 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587849927 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587849928 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OC ZINC000587849929 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849938 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849939 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849940 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587849941 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587849950 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587849951 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587849952 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)c1 ZINC000587849953 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850006 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850007 KK Annotated Anodyne COc1ccc([C@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850008 KK Annotated Anodyne COc1ccc([C@@]2(CS(=O)(=O)c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850009 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587850030 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587850031 KK Annotated Mild C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587850032 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)=C(Sc1ccccc1)[C@H]1CC[C@@H]2C1 ZINC000587850033 KK Annotated Mild Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850042 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850043 KK Annotated Anodyne Cc1ccc(C)c([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850044 KK Annotated Anodyne Cc1ccc(C)c([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587850045 KK Annotated Anodyne Cc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587850046 KK Annotated Unstable Cc1ccc(/C=C/[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587850047 KK Annotated Unstable Cc1ccc(/C=C/[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587850048 KK Annotated Unstable Cc1ccc(/C=C/[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587850049 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587850054 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587850055 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587850056 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587850057 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587850146 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587850147 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587850148 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(CC#N)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587850149 KK Annotated Mild COC(=O)c1ccc([C@@]2(C(Br)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850166 KK Annotated Reactive COC(=O)c1ccc([C@]2(C(Br)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850167 KK Annotated Reactive COC(=O)c1ccc([C@]2(C(Br)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850168 KK Annotated Reactive COC(=O)c1ccc([C@@]2(C(Br)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587850169 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850186 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850187 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850188 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850189 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587850273 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587850275 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587850278 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587850281 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850304 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850306 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850307 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)s3)nc3ccccn23)N1 ZINC000587850309 KK Annotated Anodyne COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C ZINC000587850374 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C ZINC000587850380 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C ZINC000587850383 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C ZINC000587850386 KK Annotated Reactive Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850402 KK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850404 KK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850406 KK Annotated Unstable Cc1ccc(S(=O)(=O)Cl)cc1/C=C/[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850408 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587850440 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587850442 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587850445 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cc(Br)cs2)(c2ccc(Cl)cc2)N1 ZINC000587850448 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587850500 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587850501 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@]2(c3cccs3)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587850502 KK Annotated Anodyne CCOC(=O)C1CCN([C@H](C)[C@@]2(c3cccs3)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 ZINC000587850503 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587850556 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587850557 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587850558 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3ccc(Br)cc3)s2)N1 ZINC000587850559 KK Annotated Anodyne Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850604 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850605 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850606 KK Annotated Reactive Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587850607 KK Annotated Reactive CCCOc1ccn2c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587850631 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587850632 KK Annotated Anodyne CCCOc1ccn2c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587850633 KK Annotated Anodyne CCCOc1ccn2c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc(-c3ccccc3S(C)(=O)=O)c2c1 ZINC000587850634 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587850635 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587850636 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587850637 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2P(C2CCCCC2)C2CCCCC2)N1 ZINC000587850638 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587850647 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587850648 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587850649 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587850650 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587850726 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587850729 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587850732 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587850733 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587850824 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587850825 KK Annotated Anodyne COP(=O)(C[C@@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587850826 KK Annotated Anodyne COP(=O)(C[C@]1([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21)OC ZINC000587850827 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850890 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850891 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850892 KK Annotated Anodyne Cc1nc(-c2ccccc2Br)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587850893 KK Annotated Anodyne COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C ZINC000587851020 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C ZINC000587851021 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C ZINC000587851022 KK Annotated Reactive COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C ZINC000587851023 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851040 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851041 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851042 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851043 KK Annotated Unstable CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587851056 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587851057 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587851058 KK Annotated Reactive CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl ZINC000587851059 KK Annotated Reactive COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587851064 KK Annotated Unstable COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587851065 KK Annotated Unstable COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587851066 KK Annotated Unstable COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(=O)(=O)Cl ZINC000587851067 KK Annotated Unstable COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587851088 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587851089 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587851090 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587851091 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587851100 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587851101 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587851102 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587851103 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587851113 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587851128 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587851130 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587851132 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587851134 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587851135 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587851136 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587851137 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587851138 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587851140 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587851141 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587851142 KK Annotated Anodyne Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 ZINC000587851202 KK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 ZINC000587851204 KK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 ZINC000587851205 KK Annotated Reactive Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 ZINC000587851206 KK Annotated Reactive Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851219 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851223 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851226 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851228 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851252 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851253 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851254 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 ZINC000587851255 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587851351 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587851352 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587851353 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=C(Sc3ccccc3)[C@H]3CC[C@H](C3)C2=O)(c2ccc(S(C)(=O)=O)cc2Cl)N1 ZINC000587851354 KK Annotated Mild CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851355 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851356 KK Annotated Unstable CCOC(=O)[C@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851357 KK Annotated Unstable CCOC(=O)[C@@]1(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587851358 KK Annotated Unstable CCC([C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851363 KK Annotated Unstable CCC([C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851364 KK Annotated Unstable CCC([C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851365 KK Annotated Unstable CCC([C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851366 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851387 KK Annotated Unstable CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587851424 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587851425 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587851426 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587851427 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)c(O)cc2O1 ZINC000587851428 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)c(O)cc2O1 ZINC000587851429 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)c(O)cc2O1 ZINC000587851430 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2cc(C)c(O)cc2O1 ZINC000587851431 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851435 KK Annotated Unstable C[C@H]1Cc2ccc(F)c(Br)c2[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851437 KK Annotated Unstable C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C=P(c2ccccc2)(c2ccccc2)c2ccccc2)(CCl)N1 ZINC000587851439 KK Annotated Unstable Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587851444 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587851445 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587851446 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 ZINC000587851447 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587851481 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587851482 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587851483 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)cc2SCCS(C)(=O)=O)N1 ZINC000587851484 KK Annotated Anodyne CC([C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851577 KK Annotated Unstable CC([C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851579 KK Annotated Unstable CC([C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851581 KK Annotated Unstable CC([C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587851584 KK Annotated Unstable Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851628 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851630 KK Annotated Anodyne Cc1ccc([C@]2(c3cccc(S(C)(=O)=O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851632 KK Annotated Anodyne Cc1ccc([C@@]2(c3cccc(S(C)(=O)=O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 ZINC000587851634 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(Cc2cccs2)c1C ZINC000587851762 KK Annotated Anodyne CCOC(=O)c1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(Cc2cccs2)c1C ZINC000587851763 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n(Cc2cccs2)c1C ZINC000587851764 KK Annotated Anodyne CCOC(=O)c1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n(Cc2cccs2)c1C ZINC000587851765 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C1 ZINC000587851800 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C1 ZINC000587851801 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C1 ZINC000587851802 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C1 ZINC000587851803 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851816 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851817 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851818 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851819 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851832 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851833 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851834 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587851835 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851848 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851849 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851850 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587851851 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587851969 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587851970 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587851971 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(S(=O)(=O)Cl)ccc2Br)N1 ZINC000587851972 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587852070 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587852071 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587852072 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587852073 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852074 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852075 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852076 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587852077 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852138 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852140 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852142 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587852143 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587852184 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587852185 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587852186 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 ZINC000587852187 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587852246 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587852247 KK Annotated Unstable C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587852248 KK Annotated Unstable C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C=P(c2ccccc2)(c2ccccc2)c2ccccc2)N1 ZINC000587852249 KK Annotated Unstable CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852274 KK Annotated Anodyne CC[C@]1([C@H](O[P@@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852275 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852276 KK Annotated Anodyne CC[C@]1([C@H](O[P@](=O)(CCCCc2ccccc2)CC(=O)O)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852277 KK Annotated Anodyne COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587852282 KK Annotated Unstable COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587852283 KK Annotated Unstable COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587852284 KK Annotated Unstable COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(=O)(=O)Cl ZINC000587852285 KK Annotated Unstable COP(=O)(C[C@]1(COc2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587852294 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587852295 KK Annotated Anodyne COP(=O)(C[C@]1(COc2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587852296 KK Annotated Anodyne COP(=O)(C[C@@]1(COc2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21)OC ZINC000587852297 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C#N)c1 ZINC000587852326 KK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C#N)c1 ZINC000587852327 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C#N)c1 ZINC000587852328 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C#N)c1 ZINC000587852329 KK Annotated Mild Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 ZINC000587852382 KK Annotated Reactive Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 ZINC000587852384 KK Annotated Reactive Cc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 ZINC000587852386 KK Annotated Reactive CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852387 KK Annotated Anodyne Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 ZINC000587852388 KK Annotated Reactive CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852394 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852396 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587852398 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587852439 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587852445 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587852447 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl ZINC000587852449 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587852602 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587852603 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587852604 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl ZINC000587852605 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587852656 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587852657 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587852658 KK Annotated Anodyne COc1ccc(Cc2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OC ZINC000587852659 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587852726 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587852727 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587852728 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587852729 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587852734 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587852735 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587852736 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587852737 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H]2C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccccc2Cl)N1 ZINC000587852804 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H]2C(=O)C(=O)N(c3nncs3)[C@H]2c2ccccc2Cl)N1 ZINC000587852805 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@H]2C(=O)C(=O)N(c3nncs3)[C@H]2c2ccccc2Cl)N1 ZINC000587852806 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)([C@@H]2C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccccc2Cl)N1 ZINC000587852807 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587852862 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587852863 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587852864 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2[nH]1 ZINC000587852865 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852906 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852907 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852908 KK Annotated Anodyne Cc1nc(N(C(=O)c2ccccc2Cl)C2CC2)sc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587852909 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587852932 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587852933 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587852934 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)N1 ZINC000587852935 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852936 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852937 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852938 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587852939 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587852980 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587852981 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587852982 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587852983 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587853024 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587853026 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@]3(c4cccs4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587853028 KK Annotated Anodyne COC(=O)Nc1nc2ccc([C@@]3(c4cccs4)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2[nH]1 ZINC000587853031 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853075 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853076 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853077 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587853078 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587853127 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587853129 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587853132 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 ZINC000587853135 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OCC ZINC000587853139 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OCC ZINC000587853146 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OCC ZINC000587853147 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1OCC ZINC000587853148 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587853153 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587853166 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C\c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587853167 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C\c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587853168 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853224 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853225 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853226 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587853227 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853236 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853237 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853238 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853239 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853244 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853245 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853246 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587853247 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587853252 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587853253 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587853254 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC ZINC000587853255 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587853358 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587853359 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587853360 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(-c3ccc(OCc4ccccc4)cc3)n2)N1 ZINC000587853361 KK Annotated Anodyne Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853366 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853367 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853368 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853369 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587853382 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587853383 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587853384 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc3cc(Br)ccc3o2)(c2cccs2)N1 ZINC000587853385 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1Cl ZINC000587853390 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1Cl ZINC000587853391 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1Cl ZINC000587853392 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1Cl ZINC000587853393 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587853406 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587853407 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587853408 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(NC(=O)OC(C)(C)C)nc2Br)N1 ZINC000587853409 KK Annotated Anodyne CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853586 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853590 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853592 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587853593 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587853597 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587853598 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587853602 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587853604 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587853647 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587853649 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587853652 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587853655 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587853673 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587853679 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587853681 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587853682 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc(Cl)c2)cc1 ZINC000587853708 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000587853736 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000587853747 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587853764 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587853766 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587853771 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587853773 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)C2CC2)cc1 ZINC000587853778 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)C2CC2)cc1 ZINC000587853785 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)C2CC2)cc1 ZINC000587853787 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853788 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)C2CC2)cc1 ZINC000587853789 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853790 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853792 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCC3)N1 ZINC000587853795 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587853814 KK Annotated Anodyne Cc1cc(Cl)c(C)c2c1S/C(=C1/Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)C2=O ZINC000587853824 KK Annotated Mild Cc1cc(Cl)c(C)c2c1S/C(=C1\Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)C2=O ZINC000587853836 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587853840 KK Annotated Anodyne Cc1cc(Cl)c(C)c2c1S/C(=C1\Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)C2=O ZINC000587853841 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000587853843 KK Annotated Anodyne Cc1cc(Cl)c(C)c2c1S/C(=C1/Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)C2=O ZINC000587853846 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000587853889 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587853907 KK Annotated Clean CCOC(=O)c1sc(-c2ccc(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587853909 KK Annotated Clean CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587853911 KK Annotated Clean CCOC(=O)c1sc(-c2ccc(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587853912 KK Annotated Clean C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587853915 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587853916 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587853917 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587853918 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn12 ZINC000587853920 KK Annotated Anodyne CCOC(=O)c1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(Cc2cccs2)c1C ZINC000587853932 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(Cc2cccs2)c1C ZINC000587853935 KK Annotated Anodyne CCOC(=O)c1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n(Cc2cccs2)c1C ZINC000587853937 KK Annotated Anodyne CCOC(=O)c1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n(Cc2cccs2)c1C ZINC000587853939 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn12 ZINC000587853942 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nn12 ZINC000587853945 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nn12 ZINC000587853947 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000587853962 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587853986 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 ZINC000587853992 KK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587854000 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc2nc(-c3ccc(Cl)cc3)cc(C)n2n1 ZINC000587854003 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587854007 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccnc1SCCC(F)=C(F)F ZINC000587854008 KK Annotated Anodyne Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3cc(Cl)cc(C)c3[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)S2 ZINC000587854076 KK Annotated Mild Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3cc(Cl)cc(C)c3[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)S2 ZINC000587854096 KK Annotated Mild Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)S2 ZINC000587854100 KK Annotated Mild Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)S2 ZINC000587854104 KK Annotated Mild Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587854125 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC ZINC000587854126 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587854127 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587854128 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 ZINC000587854129 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC ZINC000587854135 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC ZINC000587854137 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC ZINC000587854138 KK Annotated Reactive CCOc1c(Br)cc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cc1OC ZINC000587854140 KK Annotated Anodyne Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)S2 ZINC000587854143 KK Annotated Mild Cc1cc(Cl)cc2c1C(=O)/C(=C1\Sc3cc(Cl)cc(C)c3[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)S2 ZINC000587854146 KK Annotated Mild Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3cc(Cl)cc(C)c3[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)S2 ZINC000587854147 KK Annotated Mild Cc1cc(Cl)cc2c1C(=O)/C(=C1/Sc3cc(Cl)cc(C)c3[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)S2 ZINC000587854148 KK Annotated Mild COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854165 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854167 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](CC)n1nc(C)c(Br)c1C ZINC000587854168 KK Annotated Anodyne COc1cc(OC)cc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854169 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854171 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587854173 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587854178 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587854180 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nnc(NC(=O)CCC(=O)O)s2)(c2ccc(Cl)cc2Cl)N1 ZINC000587854182 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC)n1nc(C)c(Br)c1C ZINC000587854186 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854198 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854204 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854207 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854208 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2cc(Cl)ccc2Cl)cc1OCC ZINC000587854234 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587854235 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587854237 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587854238 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587854239 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccco2)(C(C(=O)/C=C\c2ccco2)=C2SCCCCS2)N1 ZINC000587854240 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccco2)(C(C(=O)/C=C\c2ccco2)=C2SCCCCS2)N1 ZINC000587854244 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccco2)(C(C(=O)/C=C/c2ccco2)=C2SCCCCS2)N1 ZINC000587854247 KK Annotated Mild C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccco2)(C(C(=O)/C=C/c2ccco2)=C2SCCCCS2)N1 ZINC000587854249 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000587854317 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587854342 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587854348 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587854360 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000587854361 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587854366 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000587854368 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587854369 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587854371 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587854375 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587854376 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587854377 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(OCC(C)C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)nc1C ZINC000587854378 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587854391 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587854410 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587854411 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587854412 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)c(Br)o1 ZINC000587854418 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000587854419 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587854420 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587854423 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587854424 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3cc([C@@H](C)C(=O)O)ccc3Sc3ccccc32)N1 ZINC000587854425 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587854426 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3cc([C@@H](C)C(=O)O)ccc3Sc3ccccc32)N1 ZINC000587854427 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587854428 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1S2 ZINC000587854430 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Cn1nc(C)c(Br)c1C ZINC000587854431 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Cn1nc(C)c(Br)c1C ZINC000587854432 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1c(C)cc(Br)cc1Br ZINC000587854438 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587854442 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587854454 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587854455 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587854456 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587854457 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587854458 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccccc2OC(F)F)n1CC ZINC000587854459 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587854461 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587854462 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587854463 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000587854481 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587854489 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C ZINC000587854490 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587854492 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587854493 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587854494 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000587854519 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC000587854530 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2C(c2nc3ccccc3s2)(c2nc3ccccc3s2)N1 ZINC000587854535 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2C(c2nc3ccccc3s2)(c2nc3ccccc3s2)N1 ZINC000587854537 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000587854561 KK Annotated Anodyne C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854591 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 ZINC000587854604 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 ZINC000587854608 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854611 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587854612 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587854617 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587854620 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587854622 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587854644 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587854645 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587854646 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587854647 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1nncs1)[C@H](c1ccccc1Cl)[C@@H]2C(=O)c1cccs1 ZINC000587854648 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1nncs1)[C@@H](c1ccccc1Cl)[C@H]2C(=O)c1cccs1 ZINC000587854649 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1nncs1)[C@@H](c1ccccc1Cl)[C@@H]2C(=O)c1cccs1 ZINC000587854650 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(c1nncs1)[C@H](c1ccccc1Cl)[C@H]2C(=O)c1cccs1 ZINC000587854651 KK Annotated Anodyne Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587854652 KK Annotated Reactive Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587854653 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587854654 KK Annotated Reactive Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl ZINC000587854655 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587854662 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854670 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854672 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854675 KK Annotated Anodyne CC(=O)N1CCc2c(sc(N)c2[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854677 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587854687 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587854688 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587854690 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587854691 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854693 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 ZINC000587854694 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587854695 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587854696 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000587854710 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccco2)(C(C(=O)/C=C\c2ccco2)=C2SCCCCS2)N1 ZINC000587854723 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccco2)(C(C(=O)/C=C\c2ccco2)=C2SCCCCS2)N1 ZINC000587854724 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccco2)(C(C(=O)/C=C/c2ccco2)=C2SCCCCS2)N1 ZINC000587854725 KK Annotated Mild C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccco2)(C(C(=O)/C=C/c2ccco2)=C2SCCCCS2)N1 ZINC000587854726 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000587854729 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 ZINC000587854734 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)C)cc1Br ZINC000587854746 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587854749 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3cc([C@@H](C)C(=O)O)ccc3Sc3ccccc32)N1 ZINC000587854750 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3cc([C@@H](C)C(=O)O)ccc3Sc3ccccc32)N1 ZINC000587854751 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc2c(c1)C[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1S2 ZINC000587854752 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000587854777 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C\c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587854789 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C\c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587854790 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587854792 KK Annotated Anodyne CC1=CC[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)[C@@H](O)[C@@H](C)CCC1 ZINC000587854796 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587854797 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587854807 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587854810 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587854813 KK Annotated Bother COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854848 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854852 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854856 KK Annotated Anodyne COc1ccc(OC)c(Nc2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)c1 ZINC000587854860 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854900 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854903 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854905 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 ZINC000587854909 KK Annotated Anodyne Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854919 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854923 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854926 KK Annotated Bother Cc1nc(N2CCCCC2)sc1[C@@]1(c2ccc(Cl)c([N+](=O)[O-])c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587854930 KK Annotated Bother CCOc1ccc(CCNc2nc(C)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OCC ZINC000587854933 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OCC ZINC000587854935 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OCC ZINC000587854940 KK Annotated Anodyne CCOc1ccc(CCNc2nc(C)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)s2)cc1OCC ZINC000587854944 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854964 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854971 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854973 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587854974 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587854997 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587855003 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587855006 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587855010 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587855031 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)C2CC2)cc1 ZINC000587855033 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855034 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587855035 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)C2CC2)cc1 ZINC000587855036 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587855038 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)C2CC2)cc1 ZINC000587855039 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@@H]2CCC[C@H](C)[C@H](O)[C@@H](C)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000587855041 KK Annotated Anodyne Cc1ccc(C(=O)N(c2nc(C)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)s2)C2CC2)cc1 ZINC000587855042 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855051 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855052 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855053 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccsc2)CC(c2ccccc2OC)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855054 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587855063 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587855064 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587855066 KK Annotated Anodyne COc1cccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC ZINC000587855069 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(F)c(Cl)c2)n1 ZINC000587855092 KK Annotated Anodyne COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855094 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855096 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855097 KK Annotated Reactive COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855098 KK Annotated Reactive CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855109 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855111 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855112 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587855113 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1noc(C)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587855115 KK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)cnn1-c1ccc(Cl)cc1 ZINC000587855131 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587855168 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000587855175 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587855178 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587855188 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587855189 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587855190 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587855191 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 ZINC000587855196 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F ZINC000587855209 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F ZINC000587855210 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F ZINC000587855211 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F ZINC000587855212 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000587855214 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855218 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855219 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587855220 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]nc(Br)c1Br ZINC000587855230 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)c(Br)cc1Br ZINC000587855238 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587855244 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587855245 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587855246 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587855247 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587855263 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587855265 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587855267 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)(c2c(N)sc3c2CCC3)N1 ZINC000587855268 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587855275 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587855278 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587855280 KK Annotated Anodyne COc1cc(OC)cc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 ZINC000587855281 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Cl)cc2C)n1 ZINC000587855306 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587855341 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855343 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855344 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855345 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2cnc(-c3ccc(Cl)cc3)s2)N1 ZINC000587855346 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587855374 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587855379 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587855382 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855392 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855406 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855407 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 ZINC000587855408 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1Cl ZINC000587855442 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1Cl ZINC000587855444 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)s2)cc1Cl ZINC000587855446 KK Annotated Anodyne Cc1ccc(Nc2nc(Cl)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)s2)cc1Cl ZINC000587855448 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1 ZINC000587855449 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587855535 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000587855551 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)c(Br)cc1C(C)C ZINC000587855564 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587855585 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587855586 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587855587 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587855589 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587855621 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000587855623 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1c(I)cc(Cl)c2cccnc12 ZINC000587855626 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000587855628 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587855639 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587855656 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587855666 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 ZINC000587855680 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000587855691 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587855695 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587855697 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587855698 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3OCc3ccccc3)cs2)N1 ZINC000587855699 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587855705 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)cc(I)c1OC ZINC000587855764 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587855787 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(Cn2nc(C(F)F)cc2C(F)F)n1CC ZINC000587855793 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587855795 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587855800 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 ZINC000587855806 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587855852 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587855857 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587855860 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587855863 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nn12 ZINC000587855872 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nn12 ZINC000587855874 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nn12 ZINC000587855876 KK Annotated Anodyne CCOC(=O)c1c(SCc2ccccc2)sc2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nn12 ZINC000587855877 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587855881 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587855883 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587855884 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587855886 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)o1 ZINC000587855888 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587855923 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587855924 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587855925 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS[C@@H]3[C@H](NC(=O)Cc4ccccc4)C(=O)N3[C@H]2C(=O)OC(c2ccccc2)c2ccccc2)N1 ZINC000587855926 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000587855929 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587855946 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587855957 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587855958 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587855959 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587855963 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587855964 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587855965 KK Annotated Anodyne CCc1cccc(CC)c1N(C(C)=O)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 ZINC000587855967 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc2ccccc2c1Br ZINC000587856022 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000587856157 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587856175 KK Annotated Anodyne C[C@@H]1CCc2c(sc(N)c2[C@@]2(c3ccc(Br)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587856176 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587856177 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587856178 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587856179 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CC[C@@H](C)C3)N1 ZINC000587856180 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Br)c(C(F)(F)F)nn1C ZINC000587856193 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587856196 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587856206 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587856207 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587856208 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CSc2nc(-c3ccccc3)cs2)(C(C)(C)C)N1 ZINC000587856209 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC ZINC000587856225 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587856274 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587856275 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587856276 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587856277 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856295 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856296 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856297 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCC(C)(C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856298 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C#N)c1 ZINC000587856299 KK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C#N)c1 ZINC000587856300 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C#N)c1 ZINC000587856303 KK Annotated Mild COc1ccc([C@@]2(c3c(N)sc4c3CCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C#N)c1 ZINC000587856304 KK Annotated Mild Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856305 KK Annotated Anodyne Cc1ccc([C@]2(c3c(N)sc4c3CCN(C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856306 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856307 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(N)sc4c3CCN(C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587856309 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000587856316 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1 ZINC000587856317 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 ZINC000587856323 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)n2)o1 ZINC000587856333 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OC)c(I)c1 ZINC000587856345 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 ZINC000587856353 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cn(CC)nc2C)cc(C(F)(F)F)n1 ZINC000587856384 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856393 KK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 ZINC000587856396 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856397 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856399 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856401 KK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000587856403 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000587856407 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Cl)c(C)c2)o1 ZINC000587856411 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc2ccccc2s1 ZINC000587856422 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc2ccccc2s1 ZINC000587856425 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc2ccccc2s1 ZINC000587856428 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2cnn(CC)c2C)cc(C(F)(F)F)n1 ZINC000587856429 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 ZINC000587856433 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CSc1nc2ccccc2s1 ZINC000587856434 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587856454 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587856460 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587856463 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587856467 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587856488 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccccc2OC)cc(C(F)(F)F)n1 ZINC000587856493 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587856497 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587856499 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587856504 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587856506 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587856507 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587856512 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C ZINC000587856514 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587856516 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(C(F)(F)F)n(C)n2)n1CC ZINC000587856519 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587856522 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587856533 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587856535 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587856538 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 ZINC000587856542 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587856551 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000587856616 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587856644 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587856645 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587856646 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccn2Cc2cccs2)(C(Cl)(Cl)Cl)N1 ZINC000587856647 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856656 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856657 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856658 KK Annotated Anodyne CCc1cc2c(cc1O)OC=C(c1nc(C)cs1)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856659 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856676 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856677 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856678 KK Annotated Anodyne CCc1cccc(CC)c1Nc1nc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 ZINC000587856679 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587856680 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587856681 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C/c2cccs2)[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 ZINC000587856682 KK Annotated Anodyne CN[C@]1(c2ccccc2Cl)CCC/C(=C\c2cccs2)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 ZINC000587856683 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856684 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856685 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856686 KK Annotated Anodyne Cc1nc(-c2ccc(Br)cc2)sc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856687 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000587856720 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000587856723 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587856726 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000587856734 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)c(O)cc2O1 ZINC000587856757 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)c(O)cc2O1 ZINC000587856760 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)c(O)cc2O1 ZINC000587856762 KK Annotated Anodyne CC1=C(c2csc(C)n2)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2cc(C)c(O)cc2O1 ZINC000587856763 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1nncs1)[C@H](c1ccccc1Cl)[C@H]2C(=O)c1cccs1 ZINC000587856793 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1nncs1)[C@@H](c1ccccc1Cl)[C@@H]2C(=O)c1cccs1 ZINC000587856794 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1nncs1)[C@H](c1ccccc1Cl)[C@@H]2C(=O)c1cccs1 ZINC000587856795 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(c1nncs1)[C@@H](c1ccccc1Cl)[C@H]2C(=O)c1cccs1 ZINC000587856796 KK Annotated Anodyne COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC ZINC000587856809 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC ZINC000587856810 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC ZINC000587856811 KK Annotated Reactive COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC ZINC000587856812 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587856813 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587856814 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587856815 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCC(Cc4ccccc4)CC3)s2)N1 ZINC000587856816 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856833 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856834 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856835 KK Annotated Anodyne Cc1nn(C)c(C)c1[C@@]1(c2c(N)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587856836 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 ZINC000587856875 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)N[C@@H](C)Cc5ccc(F)c(Br)c54)ccc32)cc1)C(=O)OC ZINC000587856878 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)N[C@H](C)Cc5ccc(F)c(Br)c54)ccc32)cc1)C(=O)OC ZINC000587856881 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)N[C@H](C)Cc5ccc(F)c(Br)c54)ccc32)cc1)C(=O)OC ZINC000587856882 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)N[C@@H](C)Cc5ccc(F)c(Br)c54)ccc32)cc1)C(=O)OC ZINC000587856883 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000587856898 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856908 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856911 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856915 KK Annotated Anodyne CCCOc1ccc(Cl)c2c1Sc1ccccc1[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587856921 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)N1 ZINC000587856929 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587856930 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587856931 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587856932 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587856936 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)N1 ZINC000587856937 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1 ZINC000587856941 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)N1 ZINC000587856943 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)N1 ZINC000587856947 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000587856980 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587857007 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587857013 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587857017 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(Sc3nc4ccccc4o3)nc2Cl)N1 ZINC000587857020 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587857054 KK Annotated Clean CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587857057 KK Annotated Clean CCOC(=O)c1sc(-c2ccc(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587857061 KK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000587857065 KK Annotated Anodyne CCOC(=O)c1sc(-c2ccc(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)nc1C ZINC000587857066 KK Annotated Clean C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587857192 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587857195 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587857197 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sc4ccccc4n23)N1 ZINC000587857198 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 ZINC000587857216 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H]2C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccccc2Cl)N1 ZINC000587857277 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H]2C(=O)C(=O)N(c3nncs3)[C@H]2c2ccccc2Cl)N1 ZINC000587857278 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@@H]2C(=O)C(=O)N(c3nncs3)[C@@H]2c2ccccc2Cl)N1 ZINC000587857279 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)([C@H]2C(=O)C(=O)N(c3nncs3)[C@H]2c2ccccc2Cl)N1 ZINC000587857280 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C1 ZINC000587857346 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@]3(c4ccc(C)cc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C1 ZINC000587857347 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C1 ZINC000587857348 KK Annotated Anodyne CC(=O)N1Cc2sc(N)c([C@@]3(c4ccc(C)cc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C1 ZINC000587857349 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857437 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857438 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857439 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857440 KK Annotated Anodyne Cc1cc(Cl)c(C)c2c1S/C(=C1/Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)C2=O ZINC000587857441 KK Annotated Mild Cc1cc(Cl)c(C)c2c1S/C(=C1/Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)C2=O ZINC000587857442 KK Annotated Mild Cc1cc(Cl)c(C)c2c1S/C(=C1\Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)C2=O ZINC000587857443 KK Annotated Mild Cc1cc(Cl)c(C)c2c1S/C(=C1\Sc3c(C)cc(Cl)c(C)c3[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)C2=O ZINC000587857444 KK Annotated Mild COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857483 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857487 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857490 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857492 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000587857500 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587857506 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587857509 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587857511 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587857513 KK Annotated Anodyne CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1-2 ZINC000587857520 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1-2 ZINC000587857524 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1-2 ZINC000587857527 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1-2 ZINC000587857531 KK Annotated Mild C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587857535 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587857537 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857538 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587857539 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857540 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)c(Cl)c3)nc3sccn23)N1 ZINC000587857541 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857542 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587857544 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000587857574 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857581 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857582 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857584 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857586 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cc(C)ccc2Cl)n1 ZINC000587857595 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000587857608 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857664 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857665 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857666 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Cl)cc3Cl)nc3sccn23)N1 ZINC000587857667 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587857676 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587857677 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587857679 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Cl)cc2C)o1 ZINC000587857680 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@@H](C)Cc5ccc(F)c(Br)c54)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587857682 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2cc(C)c(Cl)c(C)c2)n1 ZINC000587857727 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000587857754 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000587857771 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000587857774 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587857777 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587857783 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587857785 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587857786 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000587857794 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000587857796 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc2ccccc2s1 ZINC000587857797 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc2ccccc2s1 ZINC000587857799 KK Annotated Anodyne COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc2ccccc2s1 ZINC000587857800 KK Annotated Anodyne COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CSc1nc2ccccc2s1 ZINC000587857801 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857806 KK Annotated Anodyne COc1ccc([C@@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857807 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857810 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587857812 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587857819 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587857820 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587857821 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(-c3ccc(Br)cc3)nc3sccn23)N1 ZINC000587857822 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000587857823 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000587857839 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000587857864 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)o1 ZINC000587857870 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(I)cc2)o1 ZINC000587857885 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587857906 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587857910 KK Annotated Bother C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587857912 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])ccc2Sc2nc3ccccc3s2)N1 ZINC000587857913 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587857917 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000587857928 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587857936 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587857953 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587857956 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587857958 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccccc4Br)sc32)N1 ZINC000587857961 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857974 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857976 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857978 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=C(c3ccc(Br)cc3)N3CCN=C3S2)N1 ZINC000587857981 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587857983 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587857986 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587857990 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4ccc(C(=O)NCCNC(=O)CCCC[C@@H]5SC[C@@H]6NC(=O)N[C@H]56)cc4C(=O)O)c4cc(O)ccc4OC3=C2)N1 ZINC000587857993 KK Annotated Anodyne CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1-2 ZINC000587857995 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1-2 ZINC000587857999 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1-2 ZINC000587858001 KK Annotated Mild CCCCCCCCOc1nc2c3c(ccc4c5ccccc5sc1c34)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1-2 ZINC000587858002 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(Cl)cc1Br ZINC000587858033 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587858042 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587858044 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587858047 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\N(C)C)(c2ccc3c(c2)Nc2ccccc2S3)N1 ZINC000587858048 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000587858083 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587858135 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2cc(Br)cn2)c1 ZINC000587858137 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2c(C)cccc2Cl)o1 ZINC000587858143 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)N[C@@H](C)Cc5cc(Br)c(F)cc54)ccc32)cc1)C(=O)OC ZINC000587858168 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@]4(c5ccccc5)N[C@H](C)Cc5cc(Br)c(F)cc54)ccc32)cc1)C(=O)OC ZINC000587858170 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)N[C@H](C)Cc5cc(Br)c(F)cc54)ccc32)cc1)C(=O)OC ZINC000587858173 KK Annotated Anodyne COC(=O)C(Cc1ccc(OCCn2c(=O)sc3cc([C@@]4(c5ccccc5)N[C@@H](C)Cc5cc(Br)c(F)cc54)ccc32)cc1)C(=O)OC ZINC000587858175 KK Annotated Anodyne Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858191 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858193 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858195 KK Annotated Reactive Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 ZINC000587858197 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(Cn2nc(C)c(Br)c2C)n1 ZINC000587858251 KK Annotated Anodyne C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587858256 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 ZINC000587858257 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 ZINC000587858258 KK Annotated Reactive C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 ZINC000587858259 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587858260 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587858261 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587858262 KK Annotated Bother C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 ZINC000587858263 KK Annotated Bother CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC ZINC000587858268 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC ZINC000587858269 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC ZINC000587858270 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC ZINC000587858271 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587858281 KK Annotated Anodyne CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858294 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858297 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858298 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 ZINC000587858299 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc3cccnc23)cc1 ZINC000587858323 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 ZINC000587858358 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000587858400 KK Annotated Bother C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587858416 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587858417 KK Annotated Reactive C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587858418 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587858419 KK Annotated Reactive C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)N1 ZINC000587858420 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)N1 ZINC000587858421 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C\Cl)N1 ZINC000587858422 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CN2C(=O)c3c(sc4c3CCCC4)N/C2=C/Cl)N1 ZINC000587858423 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC ZINC000587858428 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC ZINC000587858429 KK Annotated Anodyne CCOC(=O)/C=C1\SCC(=O)N1Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC ZINC000587858430 KK Annotated Anodyne CCOC(=O)/C=C1/SCC(=O)N1Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC ZINC000587858431 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587858464 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587858465 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587858466 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587858467 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587858472 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587858473 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587858474 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2c(N)sc3c2CCC(C)(C)C3)N1 ZINC000587858475 KK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)cc2)cc1 ZINC000587858519 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000587858524 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12 ZINC000587858527 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858570 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858571 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858572 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858573 KK Annotated Anodyne CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858620 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858624 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858626 KK Annotated Clean CCc1cc2c(c(CN3CCCCC3)c1O)OC=C(c1nc3ccccc3s1)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 ZINC000587858627 KK Annotated Clean CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000587858637 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587858645 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587858647 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@@H](C)Cc5cc(Br)c(F)cc54)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587858649 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)C(=O)[C@H]([C@]4(c5ccccc5)N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587858652 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858660 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858661 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858662 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2Sc2nc3ccccc3s2)N1 ZINC000587858663 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587858678 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000587858682 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O ZINC000587858688 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587858709 KK Annotated Anodyne CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858711 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858712 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858713 KK Annotated Reactive CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858714 KK Annotated Reactive COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858721 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858722 KK Annotated Reactive COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858723 KK Annotated Reactive COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587858724 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000587858737 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858742 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858743 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858745 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000587858746 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587858747 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(S(=O)(=O)N(C)C)ccc1C ZINC000587858777 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858788 KK Annotated Anodyne CC/C=C(/NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858790 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858791 KK Annotated Anodyne CC/C=C(\NOCC)[C@@H]1C(=O)C[C@H]([C@@H]2CCCSC2)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 ZINC000587858792 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587858820 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1c(CC)cccc1CC ZINC000587858832 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587858833 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587858835 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc(C(C)C)cc2)cc1 ZINC000587858836 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587858837 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587858854 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587858864 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000587858874 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587858893 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000587858920 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587858924 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000587858960 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000587858978 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)NC2CCCCCCC2)cn1 ZINC000587858989 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000587859042 KK Annotated Bother C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587859060 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587859061 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587859062 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3nc(-c4ccc(Br)cc4)sc32)N1 ZINC000587859063 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2C(c2nc3ccccc3s2)(c2nc3ccccc3s2)N1 ZINC000587859095 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2C(c2nc3ccccc3s2)(c2nc3ccccc3s2)N1 ZINC000587859096 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587859157 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000587859158 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(COc2ccc(C(C)(C)C)cc2)c1 ZINC000587859160 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC)CC ZINC000587859170 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587859179 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1c(=O)sc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000587859180 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)ccc1N ZINC000587859192 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587859198 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000587859201 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O ZINC000587859206 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000587859227 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587859246 KK Annotated Anodyne CCOc1ccc(OCc2ccc(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)o2)cc1 ZINC000587859257 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000587859262 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C ZINC000587859275 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nccc(-c2ccc(OC)cc2)n1 ZINC000587859279 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000587859285 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)n1CC ZINC000587859288 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)n1CC ZINC000587859290 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)n1CC ZINC000587859291 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1CC ZINC000587859292 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000587859308 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000587859315 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(c1c(C)noc1C)(C3)C2 ZINC000587859327 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] ZINC000587859360 KK Annotated Bother CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859403 KK Annotated Anodyne CCCC[C@H](CC)[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859405 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859406 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000587859407 KK Annotated Anodyne CCCC[C@H](CC)[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859408 KK Annotated Anodyne Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859426 KK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859427 KK Annotated Reactive Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859428 KK Annotated Reactive Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859429 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000587859431 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587859451 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000587859454 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587859455 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587859457 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 ZINC000587859458 KK Annotated Reactive CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000587859483 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1 ZINC000587859493 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H](C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859571 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H](C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859572 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@@H](C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859573 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5cc(Br)c(F)cc54)[C@H](C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859574 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587859581 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587859588 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587859589 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587859590 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587859607 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587859608 KK Annotated Reactive C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587859609 KK Annotated Reactive C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 ZINC000587859610 KK Annotated Reactive CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859611 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859612 KK Annotated Mild CCCCCCC[C@]1(c2cc3c(Br)sc(Br)c3s2)N[C@@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859613 KK Annotated Mild CCCCCCC[C@@]1(c2cc3c(Br)sc(Br)c3s2)N[C@H](C)Cc2ccc(F)c(Br)c21 ZINC000587859615 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1 ZINC000587859675 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1 ZINC000587859676 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000587859723 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000587859729 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000587859730 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587859741 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000587859743 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000587859745 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000587859747 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 ZINC000587859748 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000587859773 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000587859777 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC(C)C ZINC000587859788 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1 ZINC000587859789 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 ZINC000587859840 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000587859846 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859879 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859880 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859881 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859882 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859895 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859896 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@@H](C(C)(C)C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859897 KK Annotated Anodyne COc1ccc([C@]2(c3c(N)sc4c3CC[C@H](C(C)(C)C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 ZINC000587859898 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H](C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859911 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H](C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859912 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@H](C(=O)c4ccccc4)[C@@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859913 KK Annotated Anodyne Cc1ccc2nc(N3C(=O)[C@]4(N[C@H](C)Cc5ccc(F)c(Br)c54)[C@@H](C(=O)c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)sc2c1 ZINC000587859914 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587859919 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587859920 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587859921 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2nn(-c3cccc(Br)c3)c(=NC#N)s2)N1 ZINC000587859922 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859931 KK Annotated Anodyne C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859932 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859933 KK Annotated Anodyne C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Sc3nc4ccccc4s3)nc3ccccn3c2=O)N1 ZINC000587859934 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587859949 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587859950 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587859951 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc3c(c2)OCO3)(c2c(N)sc3c2CCCC3)N1 ZINC000587859952 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000587859972 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C ZINC000587859976 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000587859992 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC ZINC000587860011 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 ZINC000587860020 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587860022 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587860024 KK Annotated Anodyne C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587860025 KK Annotated Anodyne C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)(c2c(N)sc3c2CCCC3)N1 ZINC000587860028 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 ZINC000587860041 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000587860049 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000587860051 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587860087 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(CCn2nc(C)c(Br)c2C)n1CC ZINC000587860092 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000587860102 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 ZINC000587860127 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C ZINC000587860133 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12 ZINC000587860146 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 ZINC000587860149 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000587860158 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC000587860189 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)cc(-c3cnn(C)c3C)nc21 ZINC000587860190 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccccc2)n1CC ZINC000587860204 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000587860209 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccccc2c(=O)n1-c1cccc(C)c1C ZINC000587860213 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(CCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000587860215 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NS(=O)(=O)c2cccc(N)c2)cc1 ZINC000587860221 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000587860223 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C ZINC000587860230 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000587860240 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cnn(CC)c2C)nc2ccccc12 ZINC000587860242 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccccc2[N+](=O)[O-])n1 ZINC000587860275 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000587860281 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C ZINC000587860285 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000587860287 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000587860291 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000587860296 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000587860298 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000587860301 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587860320 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000587860332 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000587860342 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000587860350 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000587860352 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(C)n1)(C3)C2 ZINC000587860360 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1=C(C(=O)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000587860365 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1C[C@@H]1CCCO1 ZINC000587860366 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1C[C@H]1CCCO1 ZINC000587860367 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(OC)cc1 ZINC000587860377 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000587860410 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC ZINC000587860419 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587860422 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)cc2)cc1 ZINC000587860434 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 ZINC000587860439 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000587860448 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587860452 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000587860458 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000587860473 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000587860481 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC ZINC000587860489 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000587860502 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000587860518 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1 ZINC000587860539 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000587860540 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000587860547 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000587860551 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000587860555 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2CC ZINC000587860580 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587860588 KK Annotated Bother CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000587860603 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000587860629 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587860636 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000587860648 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1cc(C(F)(F)F)n(C)n1 ZINC000587860649 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587860654 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587860658 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587860659 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587860660 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587860661 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587860665 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587860666 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587860667 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587860668 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000587860670 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587860674 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587860676 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587860692 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1 ZINC000587860731 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000587860749 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000587860753 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000587860754 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000587860755 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(SCc2ccc(C)cc2)s1 ZINC000587860763 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)sc(C)c1C ZINC000587860786 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000587860791 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 ZINC000587860793 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587860797 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2cccc(Br)c2)c1 ZINC000587860802 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 ZINC000587860814 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cc(C)c(Cl)c(C)c2)n1 ZINC000587860816 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000587860819 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)n2)o1 ZINC000587860837 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1cc(C(F)(F)F)nn1C ZINC000587860861 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F ZINC000587860862 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1OCC(=O)Nc1ccccc1F ZINC000587860864 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000587860902 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587860926 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587860927 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587860928 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 ZINC000587860933 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccccc2Br)c1 ZINC000587860941 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1scc(Br)c1Br ZINC000587860952 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587860953 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000587860963 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2cc(Br)cn2)c1 ZINC000587860966 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587860974 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc(Br)cc2)c1 ZINC000587860998 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587861012 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)cc1 ZINC000587861041 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000587861053 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000587861072 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587861108 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587861111 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587861112 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587861113 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587861114 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C ZINC000587861117 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587861125 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(Br)c(Br)s1 ZINC000587861142 KK Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)cnc2s1 ZINC000587861143 KK Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4cc(Cl)ccc4Cl)cc3OCC)cnc2s1 ZINC000587861144 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000587861150 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861158 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000587861161 KK Annotated Bother C=CCn1c(-n2nc(-c3cc(Cl)ccc3Cl)cc2OCC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587861164 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(SCc2ccccc2Cl)s1 ZINC000587861166 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000587861168 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000587861171 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2cc(C)ccc2Cl)c1 ZINC000587861176 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(SCc2cccc3ccccc23)s1 ZINC000587861195 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000587861203 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000587861207 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000587861266 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587861274 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1OC ZINC000587861283 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587861295 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587861296 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587861297 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587861298 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587861317 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(-n2nc(C)cc2C(F)(F)F)n1 ZINC000587861326 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 ZINC000587861412 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587861416 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000587861434 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc2ccccc2c1Br ZINC000587861447 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000587861448 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587861462 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1nc(N)sc1-c1ccc(C(C)(C)C)cc1 ZINC000587861464 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000587861470 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000587861485 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000587861489 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000587861505 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc2cc(Br)ccc2c1Cl ZINC000587861508 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587861518 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587861540 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1noc(C)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587861549 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861550 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587861554 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587861555 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587861556 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587861557 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587861592 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000587861595 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587861606 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587861610 KK Annotated Anodyne COc1cc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)c3ccccc3n2)cc(OC)c1OC ZINC000587861633 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 ZINC000587861687 KK Annotated Anodyne CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587861703 KK Annotated Mild CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1ccccc1OC(F)F ZINC000587861718 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2ccsc2c(=O)n1CCN1CCCC1 ZINC000587861776 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000587861795 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc2sc3c(c2c(=O)n1CC)CCN(Cc1ccccc1)C3 ZINC000587861800 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000587861831 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(Nc2cccc(OC)c2)s1 ZINC000587861851 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000587861858 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1c(C)cc(Br)cc1Br ZINC000587861859 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000587861908 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587861912 KK Annotated Mild CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000587861913 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587861916 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587861919 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587861920 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000587861934 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 ZINC000587861985 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc2nc(-c3ccc(Cl)cc3)cc(C)n2n1 ZINC000587862009 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000587862036 KK Annotated Anodyne CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O ZINC000587862057 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000587862203 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1 ZINC000587862230 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1c(I)cc(Cl)c2cccnc12 ZINC000587862349 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000587862358 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2cccc3cccnc23)cc1 ZINC000587862401 KK Annotated Anodyne COc1ccc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)c3ccccc3n2)cc1OC ZINC000587862409 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(I)cc2)o1 ZINC000587862442 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)cc1 ZINC000587862480 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587862523 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587862524 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 ZINC000587862559 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(c1c(C)noc1C)(C3)C2 ZINC000587862637 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587862656 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587862657 KK Annotated Anodyne COc1c(I)cc(Br)cc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587862704 KK Annotated Anodyne CCn1ncc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)c3ccccc3n2)c1C ZINC000587862730 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)c3c(C)nn(C)c3n2)c1 ZINC000587862755 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000587862776 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000587862785 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc(-c3cnn(C)c3C)nc21 ZINC000587862794 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000587862798 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C1=C(C(=O)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000587862902 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000587862924 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000587862943 KK Annotated Bother CCn1nc(C)c2c(C(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)cc(-c3ccc(C)cc3)nc21 ZINC000587862956 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000587862980 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000587862998 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587863002 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1N ZINC000587863012 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000587863013 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000587863015 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000587863025 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587863026 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587863027 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587863028 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587863029 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000587863043 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C ZINC000587863114 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000587863118 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000587863148 KK Annotated Bother CCn1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1ccc(OC)cc1 ZINC000587863150 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000587863157 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587863186 KK Annotated Anodyne COc1ccc(-n2nc(C)c3c(C(=O)n4nc(-c5ccccc5C(F)(F)F)cc4OC)cc(C4CC4)nc32)cc1 ZINC000587863207 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000587863218 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000587863248 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000587863264 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000587863283 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C ZINC000587863290 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587863333 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000587863337 KK Annotated Bother COc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)nc3ccccc3c2=O)cc1 ZINC000587863346 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(-n3nc(-c4ccccc4C(F)(F)F)cc3OC)c([N+](=O)[O-])c2)cc1 ZINC000587863358 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000587863383 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587863425 KK Annotated Bother COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 ZINC000587863426 KK Annotated Bother COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2-c2ccccc2)cc1 ZINC000587863427 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000587863440 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000587863459 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000587863470 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000587863479 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000587863493 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000587863534 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(Br)cc2)on1 ZINC000587863547 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cc(C)c(Cl)c(C)c2)n1 ZINC000587863555 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(SCc2ccc(C)cc2)s1 ZINC000587863570 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2cc(Br)cn2)c1 ZINC000587863576 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000587863577 KK Annotated Anodyne COc1cccc(Nc2nnc(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)s2)c1 ZINC000587863587 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC)c(COc2cccc(Cl)c2Cl)c1 ZINC000587863595 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 ZINC000587863603 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000587863611 KK Annotated Anodyne COc1ccc(-c2ccnc(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2)cc1 ZINC000587863641 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000587863645 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)nnc2-c2ccc(C)cc2)cc1 ZINC000587863652 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000587863656 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 ZINC000587863659 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2-c2ccc(Cl)cc2)cc1 ZINC000587863662 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000587863671 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000587863702 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)ccc1Cl ZINC000587863703 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 ZINC000587863709 KK Annotated Anodyne COc1cc(-c2nnc(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2-c2ccccc2)cc(OC)c1OC ZINC000587863720 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)c(Br)o1 ZINC000587863724 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000587863733 KK Annotated Anodyne CCn1c(CCn2nc(C)c(Br)c2C)nnc1SCC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587863739 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587863745 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000587863754 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)o1 ZINC000587863762 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc(Br)c(N)n2)cc1 ZINC000587863763 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587863764 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(SCc2ccccc2Cl)s1 ZINC000587863768 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000587863777 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(Br)cc1Br ZINC000587863778 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587863796 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000587863797 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)c(Br)cc1Br ZINC000587863808 KK Annotated Anodyne C=CCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587863813 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Br)cc2)n1 ZINC000587863820 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000587863894 KK Annotated Anodyne CCOc1ccccc1OCc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)o1 ZINC000587863913 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2cccc3ccccc23)c1 ZINC000587863921 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000587863931 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000587863944 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C ZINC000587863953 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncccc1-c1nc(-c2cccc(Cl)c2)no1 ZINC000587863954 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587863964 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587863968 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000587863981 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000587863987 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000587863995 KK Annotated Anodyne CCc1cccc(CC)c1-n1c(SCC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)nnc1-c1ccc(OC)cc1 ZINC000587864011 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000587864012 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c([N+](=O)[O-])c1 ZINC000587864030 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587864035 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000587864037 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 ZINC000587864040 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000587864042 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000587864043 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587864057 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000587864061 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000587864064 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2cc(C)ccc2Cl)c1 ZINC000587864075 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC ZINC000587864082 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000587864083 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000587864088 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1c(Cl)c(F)c(C(F)(F)F)c(F)c1Cl ZINC000587864093 KK Annotated Mild COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 ZINC000587864100 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000587864106 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc2cc(Br)ccc2c1Cl ZINC000587864114 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000587864124 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587864130 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587864137 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000587864138 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587864139 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000587864142 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000587864184 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587864195 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000587864197 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](C)N2 ZINC000587864209 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587864210 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2 ZINC000587864212 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(Cn2nc(C(F)F)cc2C(F)F)n1CC ZINC000587864217 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccc(Br)c2)[nH]n1 ZINC000587864226 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1scc(Br)c1Br ZINC000587864240 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cc(C)ccc2Cl)n1 ZINC000587864249 KK Annotated Anodyne COc1cccc(-n2c(CC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)csc2=NCc2ccco2)c1 ZINC000587864250 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(Cl)cc1Br ZINC000587864251 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(SCc2cccc3ccccc23)s1 ZINC000587864261 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000587864262 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 ZINC000587864279 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000587864287 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 ZINC000587864304 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 ZINC000587864315 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587864318 KK Annotated Anodyne CCOC(=O)c1cc2cc(Br)cnc2nc1-n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC ZINC000587864326 KK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)nnc2-c2cccnc2)cc1 ZINC000587864337 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000587864348 KK Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc1 ZINC000587864354 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000587864360 KK Annotated Bother COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000587864364 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2ccc(F)cc2F)c1 ZINC000587864387 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2nc(C)c(Cl)c2C)c1 ZINC000587864396 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000587864398 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccccc4C(F)(F)F)cc3OC)n2-c2ccc(C)cc2)cc1 ZINC000587864400 KK Annotated Anodyne C=C1C=C(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)n2nc(-c3ccc(F)cc3)cc2N1 ZINC000587864411 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000587864413 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cccc(OC)c2)cc(C(F)(F)F)n1 ZINC000587864420 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C ZINC000587864438 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 ZINC000587864439 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1=C[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587864440 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1=C[C@H](CNc2ncc(C(F)(F)F)cc2Cl)ON1 ZINC000587864441 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587864447 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587864450 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587864452 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587864453 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587864490 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(c1c(C)noc1C)(C3)C2 ZINC000587864493 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(I)cc2)o1 ZINC000587864502 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000587864514 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(F)c(Cl)c2)n1 ZINC000587864525 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1c(I)cc(Cl)c2cccnc12 ZINC000587864526 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)n2)o1 ZINC000587864531 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587864547 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587864554 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OC)c(I)c1 ZINC000587864556 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587864558 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587864560 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)cc1 ZINC000587864569 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-c2ccc3c(c2)OCCCO3)cc1 ZINC000587864572 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000587864592 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 ZINC000587864593 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000587864594 KK Annotated Anodyne CCn1c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587864628 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2c(C)cccc2Cl)o1 ZINC000587864631 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(Br)cc1Cl ZINC000587864632 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)c(Br)[nH]1 ZINC000587864635 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000587864668 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(C)c(Br)cc1C(C)C ZINC000587864676 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cn(CC)nc2C)cc(C(F)(F)F)n1 ZINC000587864694 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587864712 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587864723 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000587864758 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)o1 ZINC000587864772 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587864777 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1 ZINC000587864798 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C ZINC000587864804 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000587864815 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1 ZINC000587864830 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Br)c(C(F)(F)F)nn1C ZINC000587864841 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1cc(C(F)(F)F)nn1-c1ccc(C)cc1 ZINC000587864850 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000587864869 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)cc(I)c1OC ZINC000587864872 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000587864889 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587864895 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587864897 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000587864899 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc2ccccc2c1Br ZINC000587864900 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000587864910 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1c(C)cc(Br)cc1Br ZINC000587864913 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000587864918 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000587864921 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000587864923 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(COc2ccccc2Br)c1 ZINC000587864938 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000587864940 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Br)c(Br)s1 ZINC000587864947 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000587864949 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 ZINC000587864955 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)cc1 ZINC000587864957 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000587864977 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1ncc(C(F)(F)F)cc1Cl ZINC000587865006 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587865008 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccc(CC)cc2)cc(C(F)(F)F)n1 ZINC000587865011 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2cc(Cl)c([N+](=O)[O-])n2)c1 ZINC000587865030 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc3c(c2)CCC3)cc1 ZINC000587865046 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(C(F)(F)F)n(C)n2)n1CC ZINC000587865058 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2ccccc2OC)cc(C(F)(F)F)n1 ZINC000587865074 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(C)c(C(F)(F)F)c1Br ZINC000587865100 KK Annotated Anodyne CCCc1c(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cnn1-c1ccc(Cl)cc1 ZINC000587865105 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 ZINC000587865106 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc([N+](=O)[O-])nn1Cc1ccc(Cl)cc1 ZINC000587865115 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000587865139 KK Annotated Anodyne COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1nc(N)sc1-c1ccc(C(C)(C)C)cc1 ZINC000587865154 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nnn(-c2ccc(F)cc2)c1-n1cccc1 ZINC000587865167 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C(C)C)cc1Br ZINC000587865173 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587865196 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnn(-c2ccc(Br)cc2)c1C ZINC000587865215 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2cc(Br)cn2)cc1 ZINC000587865216 KK Annotated Anodyne CCOc1c(Br)cc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)cc1OC ZINC000587865222 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587865272 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587865273 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587865274 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2C)n1 ZINC000587865277 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000587865279 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1 ZINC000587865282 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc2nc(-c3ccc(Cl)cc3)cc(C)n2n1 ZINC000587865285 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccnc1SCCC(F)=C(F)F ZINC000587865286 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(C(F)(F)F)nn2C)n1CC ZINC000587865305 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 ZINC000587865306 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(-c2cnn(CC)c2C)cc(C(F)(F)F)n1 ZINC000587865330 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587865331 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587865332 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587865333 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587865334 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)c(Cl)c2C)cc1 ZINC000587865344 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587865375 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1noc(C)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587865376 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000587865384 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587865387 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587865388 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587865389 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587865390 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 ZINC000587865399 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587865402 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587865403 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587865404 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587865405 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000587865424 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)o1 ZINC000587865505 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000587865522 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000587865546 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C ZINC000587865610 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(OC)cc1 ZINC000587865647 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O ZINC000587865752 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000587865804 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000587865825 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000587865849 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccc(OC)c2)nc2c1c(C)nn2C ZINC000587865862 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000587865870 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 ZINC000587865872 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000587865883 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000587865886 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C ZINC000587865973 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000587866005 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000587866027 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587866040 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000587866041 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000587866046 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC ZINC000587866062 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000587866071 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000587866072 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC ZINC000587866081 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000587866088 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1 ZINC000587866131 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccn(COc2ccc(C(C)(C)C)cc2)n1 ZINC000587866153 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000587866183 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC ZINC000587866186 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000587866197 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 ZINC000587866202 KK Annotated Anodyne CCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)ccc1N ZINC000587866214 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000587866219 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587866229 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2c(=O)n1CCCOC(C)C ZINC000587866269 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587866283 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC ZINC000587866287 KK Annotated Anodyne CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)cc2)cc1 ZINC000587866295 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nccc(-c2ccc(OC)cc2)n1 ZINC000587866315 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cc(C)c(Cl)c(C)c2)n1 ZINC000587866320 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2CC ZINC000587866328 KK Annotated Anodyne CCCc1cc2c(=O)n([C@@H](C)C(=O)n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)cnc2s1 ZINC000587866335 KK Annotated Anodyne CCCc1cc2c(=O)n([C@H](C)C(=O)n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)cnc2s1 ZINC000587866338 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc2ccccc2c1Br ZINC000587866349 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2cc(C)ccc2Cl)c1 ZINC000587866368 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(Br)cc1Br ZINC000587866384 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(Br)c(Br)s1 ZINC000587866389 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000587866403 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1c(C)cc(Br)cc1Br ZINC000587866407 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 ZINC000587866412 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)ccc2Cl)cc1 ZINC000587866427 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2Br)cc1 ZINC000587866440 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000587866463 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000587866466 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 ZINC000587866500 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 ZINC000587866512 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000587866514 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 ZINC000587866516 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000587866518 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000587866519 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)Nc1ccc(Br)c(Cl)c1 ZINC000587866523 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000587866526 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccc(Br)cc2Cl)c1 ZINC000587866538 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000587866539 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000587866557 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nnn(Cc2ccccc2)c1-c1cccnc1 ZINC000587866561 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2cccc(Cl)c2Cl)c1 ZINC000587866632 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000587866641 KK Annotated Bother COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1COc1ccc(Cl)c(C)c1 ZINC000587866645 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000587866655 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000587866656 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccccc2Br)c1 ZINC000587866675 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1CC ZINC000587866767 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000587866794 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(CCn2nc(C)c(Br)c2C)n1CC ZINC000587866796 KK Annotated Anodyne CCCn1nc(C)c2c(C(=O)n3nc(-c4ccc(C(F)(F)F)cc4)cc3OCC)cc(-c3cnn(C)c3C)nc21 ZINC000587866804 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(SCc2cccc3ccccc23)s1 ZINC000587866823 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587866839 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(Nc2cccc(OC)c2)s1 ZINC000587866845 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000587866848 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc2cc(Br)ccc2c1 ZINC000587866852 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2Br)o1 ZINC000587866853 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000587866858 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1[nH]c2ccc(Br)cc2c1Br ZINC000587866860 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sc2cc(Br)ccc2c1Cl ZINC000587866865 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587866874 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nc(N)sc1-c1ccc(C(C)(C)C)cc1 ZINC000587866885 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C(C)(C)C)cc1Br ZINC000587866904 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2cc(C)n(C)n2)n1CC(C)C ZINC000587866916 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000587866922 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000587866929 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)o1 ZINC000587866935 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 ZINC000587866938 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(SCc2ccccc2Cl)s1 ZINC000587866944 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000587866950 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2c(Cl)cccc2Cl)cc1 ZINC000587866953 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000587866954 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 ZINC000587866969 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1c(CC)cccc1CC ZINC000587866974 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000587866978 KK Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1COc1cccc(Cl)c1Cl ZINC000587866990 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(SCc2ccc(C)cc2)s1 ZINC000587866995 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000587867026 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C ZINC000587867029 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000587867039 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587867056 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587867060 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)C(=O)n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)sc(C)c1C ZINC000587867061 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)n1CC ZINC000587867088 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1CC ZINC000587867090 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)n1CC ZINC000587867092 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)n1CC ZINC000587867094 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1[N+](=O)[O-] ZINC000587867102 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)COc1ccc(C)cc1-n1nc2ccccc2n1 ZINC000587867103 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000587867105 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000587867106 KK Annotated Anodyne C=CCn1c(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587867111 KK Annotated Mild CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000587867113 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Cl)n1 ZINC000587867125 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000587867148 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 ZINC000587867151 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)N(CC)c2ccccc2)cn1 ZINC000587867172 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1sccc1OCc1ccc(Cl)cc1 ZINC000587867219 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000587867224 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 ZINC000587867227 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000587867228 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1 ZINC000587867230 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587867237 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1 ZINC000587867239 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12 ZINC000587867241 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1scc(Br)c1Br ZINC000587867259 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000587867273 KK Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1COc1ccc(Br)cc1 ZINC000587867279 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000587867295 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000587867314 KK Annotated Bother CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000587867315 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587867342 KK Annotated Anodyne CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2sc3c(c2c(=O)n1CC)CCN(Cc1ccccc1)C3 ZINC000587867366 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(Br)cc2)o1 ZINC000587867371 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC12C[C@@H]3C[C@H](C1)CC(c1c(C)noc1C)(C3)C2 ZINC000587867373 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1cc(C)c(Br)cc1C(C)C ZINC000587867412 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2cccc3ccccc23)c1 ZINC000587867474 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1c(I)cc(Cl)c2cccnc12 ZINC000587867527 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000587867577 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1-c1ccccc1OC(F)F ZINC000587867584 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cccc3cccnc23)cc1 ZINC000587867592 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1 ZINC000587867596 KK Annotated Anodyne COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587867601 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 ZINC000587867630 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 ZINC000587867635 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587867671 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 ZINC000587867683 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000587867759 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccccc2Cc2ccccc2)o1 ZINC000587867775 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000587867889 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587867894 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000587867895 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccc3ccccc3c2)c1 ZINC000587867928 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 ZINC000587867948 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587867983 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C ZINC000587867998 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000587868004 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587868037 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587868038 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587868039 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587868040 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587868063 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 ZINC000587868085 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587868103 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587868107 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(I)cc2)o1 ZINC000587868119 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(F)cc1 ZINC000587868148 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587868153 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587868157 KK Annotated Anodyne COc1c(I)cc(Br)cc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868238 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(COc2ccc(C)cc2[N+](=O)[O-])c1 ZINC000587868248 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587868277 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587868279 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587868369 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587868370 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587868371 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587868372 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587868373 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587868374 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587868375 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587868376 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000587868385 KK Annotated Anodyne CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC ZINC000587868386 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 ZINC000587868438 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1 ZINC000587868565 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12 ZINC000587868617 KK Annotated Anodyne COc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1COc1ccccc1Cl ZINC000587868648 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000587868657 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)n2)o1 ZINC000587868767 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1nc(C(F)F)c(Br)c1C1CC1 ZINC000587868769 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000587868771 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1noc(C)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587868843 KK Annotated Anodyne COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2)cc1OC ZINC000587868848 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587868877 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587868882 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587868884 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587868885 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000587868924 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C1=C(C(=O)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000587868996 KK Annotated Mild COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587869011 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587869012 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587869013 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587869014 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587869054 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 ZINC000587869058 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000587869069 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000587869093 KK Annotated Anodyne CCn1nc(C)c2c(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)cc(-c3ccc(C)cc3)nc21 ZINC000587869105 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C ZINC000587869109 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)ccc1Cl ZINC000587869128 KK Annotated Anodyne CCc1cccc(CC)c1-n1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1-c1ccc(OC)cc1 ZINC000587869132 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)o1 ZINC000587869155 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000587869171 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000587869174 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000587869182 KK Annotated Bother C=CCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587869242 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000587869259 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000587869272 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(SCc2ccc(C)cc2)s1 ZINC000587869285 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2-c2ccccc2)cc1 ZINC000587869293 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000587869313 KK Annotated Bother COc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587869350 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Br)c(Br)s1 ZINC000587869354 KK Annotated Anodyne COc1ccc(-n2c(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)nnc2-c2ccc(C)cc2)cc1 ZINC000587869381 KK Annotated Anodyne CCn1c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587869413 KK Annotated Anodyne COc1cccc(-n2c(CC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)csc2=NCc2ccco2)c1 ZINC000587869502 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000587869512 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2-c2ccc(Cl)cc2)cc1 ZINC000587869523 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000587869526 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Cl)cc2Br)n1 ZINC000587869543 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000587869548 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1-c1ccc(Cl)cc1 ZINC000587869549 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587869556 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000587869557 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CSc2nc3ccccc3s2)cc1 ZINC000587869581 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(SCc2cccc3ccccc23)s1 ZINC000587869584 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000587869592 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000587869601 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2cc(-c3ccc(Br)cc3)sc12 ZINC000587869614 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000587869630 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000587869653 KK Annotated Bother COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1scc(Br)c1Br ZINC000587869717 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587869742 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccn(COc2ccc(Br)cc2Cl)n1 ZINC000587869743 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sc2cc(Br)ccc2c1Cl ZINC000587869744 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 ZINC000587869748 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587869750 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000587869759 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587869765 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1 ZINC000587869781 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000587869788 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000587869830 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000587869860 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000587869861 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000587869874 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000587869886 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C)nn2C ZINC000587869894 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(Br)cc2Cl)cc1 ZINC000587869915 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(SCc2ccccc2Cl)s1 ZINC000587869954 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000587869958 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 ZINC000587870006 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000587870008 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587870033 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000587870034 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587870035 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000587870036 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000587870043 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000587870048 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000587870050 KK Annotated Anodyne CCn1ncc(-c2cc(C(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)c3ccccc3n2)c1C ZINC000587870053 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1c(C)cc(Br)cc1Br ZINC000587870081 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nc(N)sc1-c1ccc(C(C)(C)C)cc1 ZINC000587870100 KK Annotated Anodyne CCn1c(SCC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000587870113 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 ZINC000587870120 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000587870128 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1 ZINC000587870132 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000587870163 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000587870167 KK Annotated Anodyne COc1ccc(-c2nnc(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2-c2ccc(C)cc2)cc1 ZINC000587870221 KK Annotated Anodyne COc1cc(-c2nnc(SCC(=O)n3nc(-c4ccc(C(F)(F)F)nc4)cc3OC)n2-c2ccccc2)cc(OC)c1OC ZINC000587870230 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 ZINC000587870232 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000587870241 KK Annotated Anodyne COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000587870265 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(COc2ccc(I)cc2)o1 ZINC000587870404 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 ZINC000587870478 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccccc2OC(F)F)n1CC ZINC000587870508 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 ZINC000587870555 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587870566 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587870567 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 ZINC000587870569 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 ZINC000587870570 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1noc(C)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587870666 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587870707 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587870709 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 ZINC000587870712 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 ZINC000587870714 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)cc(I)c1OC ZINC000587870817 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587870950 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Sc1nnc(CNc2ccc(I)cc2C)n1-c1ccccc1 ZINC000587870951 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CSc2nc(C)cc(C(F)(F)F)n2)o1 ZINC000587870956 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1c(I)cc(Cl)c2cccnc12 ZINC000587870973 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1 ZINC000587871187 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000587871208 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587871257 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587871259 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587871260 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587871261 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC)c(COc2cccc(Cl)c2Cl)c1 ZINC000587871343 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587871373 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587871374 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000587871376 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C(C)C)cc1)N2 ZINC000587871377 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(Cn2nc(C(F)F)cc2C(F)F)n1CC ZINC000587871378 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587871422 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccc(Cl)cc1 ZINC000587871433 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587871514 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587871515 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(C)c(C)c1)N2 ZINC000587871516 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(C)c(C)c1)N2 ZINC000587871517 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587871524 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587871525 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2 ZINC000587871526 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2 ZINC000587871527 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccc(OC)cc1 ZINC000587871617 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000587871708 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 ZINC000587871731 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 ZINC000587871771 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(OC)cc1 ZINC000587871786 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C1=C(C(=O)C(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000587871866 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1c(CC)cccc1CC ZINC000587871900 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C ZINC000587871961 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1 ZINC000587872000 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 ZINC000587872039 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000587872063 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C ZINC000587872082 KK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)C12C[C@@H]3C[C@H](C1)CC(n1nnc(-c4ccccc4)n1)(C3)C2 ZINC000587872293 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000587872434 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000587872435 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 ZINC000587872440 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000587872446 KK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000587872459 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 ZINC000587872472 KK Annotated Anodyne C=CCn1c(-n2nc(-c3cccc(F)c3)cc2OCC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587872572 KK Annotated Mild CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000587872576 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 ZINC000587872626 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1 ZINC000587872633 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000587872660 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 ZINC000587872667 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 ZINC000587872676 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(SCc2ccccc2Cl)s1 ZINC000587872746 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(SCc2ccc(C)cc2)s1 ZINC000587872789 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(Cl)cc1 ZINC000587873007 KK Annotated Anodyne O=C(COc1c(I)cc(Cl)c2cccnc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587873028 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 ZINC000587873037 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000587873127 KK Annotated Bother CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1csc(=NCc2ccco2)n1-c1cccc(OC)c1 ZINC000587873149 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 ZINC000587873154 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(SCc2cccc3ccccc23)s1 ZINC000587873192 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1 ZINC000587873253 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000587873298 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3)c12 ZINC000587873327 KK Annotated Anodyne Cc1cc(Br)c(OCc2ccc(C(=O)n3nc4cc3oc3ccc(F)cc43)cc2)c(Br)c1 ZINC000587873359 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC ZINC000587873379 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1C ZINC000587873387 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc([C@@H]2C[C@H]2c2ccc(Cl)cc2)n1CC ZINC000587873399 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc([C@@H]2C[C@@H]2c2ccc(Cl)cc2)n1CC ZINC000587873402 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc([C@H]2C[C@@H]2c2ccc(Cl)cc2)n1CC ZINC000587873403 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc([C@H]2C[C@H]2c2ccc(Cl)cc2)n1CC ZINC000587873404 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000587873427 KK Annotated Anodyne CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000587873456 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873494 KK Annotated Mild O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873497 KK Annotated Mild O=C(c1cc2n(n1)[C@@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873498 KK Annotated Mild O=C(c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873499 KK Annotated Mild O=C(Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12)n1nc2cc1oc1ccc(F)cc21 ZINC000587873531 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873640 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873641 KK Annotated Anodyne O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873642 KK Annotated Anodyne O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)n1nc2cc1oc1ccc(F)cc21 ZINC000587873643 KK Annotated Anodyne O=C(c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873732 KK Annotated Anodyne O=C(c1ccc(COc2ccc(I)cc2)o1)n1nc2cc1oc1ccc(F)cc21 ZINC000587873798 KK Annotated Anodyne O=C(COc1ccccc1C(=O)n1nc2cc1oc1ccc(F)cc21)Nc1ccc(SC(F)F)cc1 ZINC000587873855 KK Annotated Anodyne CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)n1nc2cc1oc1ccc(F)cc21 ZINC000587873912 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1 ZINC000587873983 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1 ZINC000587873985 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1 ZINC000587874021 KK Annotated Anodyne CC(C)c1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)n4nc5cc4oc4ccc(F)cc54)cc3N2)cc1 ZINC000587874022 KK Annotated Anodyne Cc1onc(C(=O)n2nc3cc2oc2ccc(F)cc32)c1C(=O)Nc1ncc(C(F)(F)F)cc1Cl ZINC000587874096 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)n1-c1ccccc1 ZINC000587874102 KK Annotated Anodyne Cc1cc(I)ccc1NCc1nnc(S[C@H](C)C(=O)n2nc3cc2oc2ccc(F)cc32)n1-c1ccccc1 ZINC000587874104 KK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(Br)c1CBr ZINC000587874568 KK Annotated Reactive COc1cc(COc2cc(CC#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc(OCc3cc(OC)cc(OC)c3)c2)cc(OC)c1 ZINC000587874684 KK Annotated Mild CCCC[C@H](CC)COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1CBr ZINC000587874771 KK Annotated Reactive CCCC[C@@H](CC)COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1CBr ZINC000587874773 KK Annotated Reactive O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874809 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874811 KK Annotated Anodyne Cc1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccc(Cl)cc2)cc1 ZINC000587874829 KK Annotated Anodyne O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874850 KK Annotated Anodyne O=C(c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587874863 KK Annotated Anodyne COc1cc(CBr)c(OCC[C@H](C)CCCC(C)C)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874885 KK Annotated Reactive COc1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccc(Cl)cc2)cc1 ZINC000587874890 KK Annotated Anodyne COc1cc(CBr)c(OCC[C@@H](C)CCCC(C)C)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587874892 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)cc(CBr)c1 ZINC000587874897 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)cc(Br)c1O ZINC000587874912 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)c(Br)cc1CBr ZINC000587874932 KK Annotated Reactive CCCCCCCCc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCCCCCCC)cc1CBr ZINC000587874954 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@H](Br)C(=O)c2ccc(Br)cc2)cc1 ZINC000587874963 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@@H](Br)C(=O)c2ccc(Br)cc2)cc1 ZINC000587874965 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(Br)ccc1-2 ZINC000587875175 KK Annotated Reactive CC1(C)[C@@H](/C=C(/Br)C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000587875243 KK Annotated Mild CC1(C)[C@@H](/C=C(\Br)C#CCNC(=O)Cc2ccc(Cl)cc2Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 ZINC000587875245 KK Annotated Mild COc1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccc(C)cc2)cc1 ZINC000587875271 KK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)C(Br)Br)cc1 ZINC000587875272 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Br)c1OCCBr ZINC000587875330 KK Annotated Reactive COc1cc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccccc2)cc(OC)c1OC ZINC000587875382 KK Annotated Anodyne COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@H](C)CCCC(C)C)cc1CBr ZINC000587875440 KK Annotated Reactive COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@@H](C)CCCC(C)C)cc1CBr ZINC000587875441 KK Annotated Reactive C=C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000587875456 KK Annotated Mild C=C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000587875457 KK Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(Br)Br ZINC000587875538 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(Br)Br)c(C(Br)Br)cc1Br ZINC000587875564 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@H](Br)C(=O)c2cccc(Br)c2)c1 ZINC000587875570 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@@H](Br)C(=O)c2cccc(Br)c2)c1 ZINC000587875572 KK Annotated Reactive CC(C)CCC[C@H](C)CCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@@H](C)CCCC(C)C)cc1CBr ZINC000587875637 KK Annotated Reactive CC(C)CCC[C@@H](C)CCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@H](C)CCCC(C)C)cc1CBr ZINC000587875642 KK Annotated Reactive CC(C)CCC[C@H](C)CCOc1cc(CBr)c(OCC[C@H](C)CCCC(C)C)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875643 KK Annotated Reactive CC(C)CCC[C@H](C)CCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@H](C)CCCC(C)C)cc1CBr ZINC000587875644 KK Annotated Reactive CCCC[C@H](CC)COc1cc(CBr)c(OC)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875663 KK Annotated Reactive CCCC[C@@H](CC)COc1cc(CBr)c(OC)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587875664 KK Annotated Reactive O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587875715 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nnc(SCC(=O)n3nc4cc3oc3ccc(F)cc43)n2-c2ccccc2)cc1 ZINC000587875743 KK Annotated Anodyne CCc1cccc(CC)c1-n1c(SCC(=O)n2nc3cc2oc2ccc(F)cc32)nnc1-c1ccc(OC)cc1 ZINC000587875758 KK Annotated Anodyne C=CCn1c(-n2nc3cc2oc2ccc(F)cc32)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 ZINC000587875803 KK Annotated Mild COc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2ccc(C)cc2)cc1 ZINC000587875842 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587875858 KK Annotated Anodyne CCOc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2cccnc2)cc1 ZINC000587875860 KK Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876103 KK Annotated Anodyne C=CCOc1c(Br)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876153 KK Annotated Mild O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876170 KK Annotated Anodyne O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876186 KK Annotated Anodyne COc1cc(C)c(C(=O)c2c(OC)ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C)c(OC)c1OC ZINC000587876231 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Br)c(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587876258 KK Annotated Mild C=CC(=O)Oc1c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1Br ZINC000587876285 KK Annotated Mild CCN(CC)c1ccc2cc(-c3ccc(CC#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)c(=O)oc2c1 ZINC000587876287 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1 ZINC000587876296 KK Annotated Mild O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876320 KK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br ZINC000587876340 KK Annotated Mild C=CC(=O)OCc1c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1Br ZINC000587876361 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000587876369 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1NC(=O)CCl ZINC000587876387 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(C(=O)O)c(Br)c(Br)c1C(=O)O ZINC000587876392 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000587876416 KK Annotated Mild O=Cc1ccc(COc2c(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Br)o1 ZINC000587876426 KK Annotated Mild COc1ccc(C=O)cc1COc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587876429 KK Annotated Mild CCOC(=O)c1c(CBr)n(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(OC(C)=O)cc12 ZINC000587876460 KK Annotated Reactive CCCC[C@@H](CC)COC(=O)c1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)OC[C@H](CC)CCCC ZINC000587876463 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)OC[C@@H](CC)CCCC ZINC000587876467 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(=O)OC[C@H](CC)CCCC ZINC000587876468 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c(Br)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587876469 KK Annotated Mild C=C(C)C(=O)OCc1c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1Br ZINC000587876473 KK Annotated Mild O=Cc1ccc(COc2c(Br)cc(Br)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587876489 KK Annotated Mild C=C(C)C(=O)Oc1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587876492 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)cc(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587876499 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br ZINC000587876570 KK Annotated Mild CCOC(=O)c1c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)n(C)c2cc(Br)c(OC(C)=O)cc12 ZINC000587876586 KK Annotated Mild O=C(c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876632 KK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2c(Br)cc(Br)c(Br)c2Br)c(Br)cc1Br ZINC000587876646 KK Annotated Mild C=CCOc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587876661 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c1Br ZINC000587876706 KK Annotated Mild CC(C)(C)OC(=O)c1ccccc1-c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587876741 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1 ZINC000587876744 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587876749 KK Annotated Mild O=C=Nc1c(Br)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876751 KK Annotated Reactive Cc1c(Br)cc(Br)c(O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587876780 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Oc2ccc(Br)cc2Br)c(Br)c1 ZINC000587876797 KK Annotated Mild CCCCCCC1(CCCCCC)c2cc(CBr)ccc2-c2ccc(CC#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587876800 KK Annotated Reactive O=C(CSc1nnc(SCc2cccc3ccccc23)s1)n1nc2cc1oc1ccc(F)cc21 ZINC000587876849 KK Annotated Anodyne COc1cccc(-n2c(CC(=O)n3nc4cc3oc3ccc(F)cc43)csc2=NCc2ccco2)c1 ZINC000587876858 KK Annotated Anodyne O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c(Br)c(Oc2ccc(Br)cc2Br)c1Br ZINC000587876880 KK Annotated Mild COc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2ccc(C(C)(C)C)cc2)cc1 ZINC000587876906 KK Annotated Anodyne Cc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nnc2-c2ccc(Cl)cc2)cc1 ZINC000587876953 KK Annotated Anodyne CCCC[C@@H](CC)COC(=O)c1c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587876980 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1C(=O)OC[C@@H](CC)CCCC ZINC000587876981 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587876983 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587876984 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2c(Br)cc(Br)cc2Br)c(Br)c1 ZINC000587877004 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1Br ZINC000587877005 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587877007 KK Annotated Mild C=CC(=O)Oc1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587877044 KK Annotated Mild COc1ccc(-n2c(SCC(=O)n3nc4cc3oc3ccc(F)cc43)nc3ccccc3c2=O)cc1 ZINC000587877065 KK Annotated Anodyne CCCCCC(=O)Oc1c(Br)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877072 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(-c2cc(Br)c(O)c(Br)c2O)c(O)c(Br)c1O ZINC000587877085 KK Annotated Mild C=CC(=O)OCc1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587877100 KK Annotated Mild CCOC(=O)c1oc2ccc(Br)cc2c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877102 KK Annotated Mild C=CC(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877103 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c(Br)c(Oc2cc(Br)c(Br)cc2Br)c1Br ZINC000587877111 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@@H](O)CBr)cc2)cc1 ZINC000587877141 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@H](O)CBr)cc2)cc1 ZINC000587877144 KK Annotated Reactive CCOC(=O)c1oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1CBr ZINC000587877158 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1c(Br)cc(Br)cc1Br ZINC000587877167 KK Annotated Mild C=C(C)C(=O)OCc1c(Br)c(Br)c(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1Br ZINC000587877205 KK Annotated Mild CCCCCC(=O)Oc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587877210 KK Annotated Mild COc1ccc(C=O)cc1COc1c(Br)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877220 KK Annotated Mild CCOC(=O)c1ccccc1/C(=C1\C=C(Br)C(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587877331 KK Annotated Mild CCOC(=O)c1ccccc1/C(=C1/C=C(Br)C(=O)C(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587877332 KK Annotated Mild CCc1oc2ccccc2c1[C@H](O)c1cc(Br)c(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877359 KK Annotated Mild CCc1oc2ccccc2c1[C@@H](O)c1cc(Br)c(C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877360 KK Annotated Mild CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877377 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(Br)c1O ZINC000587877385 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(Br)c1O ZINC000587877386 KK Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1 ZINC000587877453 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Br)cc1Oc1ccc(Br)c(Br)c1Br ZINC000587877490 KK Annotated Mild CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877510 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1Br ZINC000587877514 KK Annotated Mild Cc1cc(Br)c(OCc2ccc(C(=O)O)cc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877532 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)ccc(Oc2ccc(Br)cc2Br)c1Br ZINC000587877541 KK Annotated Mild CCOc1cc(NCc2ccccc2)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877562 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1Br ZINC000587877604 KK Annotated Mild CCCCCCCC(=O)Oc1c(Br)cc(C#N)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877639 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Cl)cc(C(=O)c2ccccc2Cl)c1O ZINC000587877655 KK Annotated Mild CCCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587877661 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2cc(Br)c(Br)cc2Br)c(Br)cc1Br ZINC000587877672 KK Annotated Mild CC(C)(C)c1cc(-c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(O)c(C(C)(C)C)c2)cc(Br)c1O ZINC000587877692 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1ccc(Br)c(Br)c1Br ZINC000587877702 KK Annotated Mild CC(C)(c1cc(Br)c(OCCO)c(Br)c1)c1cc(Br)c(OCCO)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587877712 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Oc2ccc(Br)cc2Br)ccc(Br)c1Br ZINC000587877744 KK Annotated Mild CN(Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1N)C1CCCCC1 ZINC000587877890 KK Annotated Mild CN(Cc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N)C1CCCCC1 ZINC000587877976 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2ccc(Br)c(Br)c2Br)c(Br)cc1Br ZINC000587877979 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1 ZINC000587878004 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Br)cc1Oc1cc(Br)c(Br)cc1Br ZINC000587878019 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Oc2ccc(Br)c(Br)c2Br)cc1Br ZINC000587878036 KK Annotated Mild CCCCCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCCCCC)cc1Br ZINC000587878044 KK Annotated Mild O=Cc1cc(Br)c(OCc2ccccc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587878046 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(NC(=O)c2ccccc2)c1 ZINC000587878054 KK Annotated Mild O=Cc1cc(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCc1ccccc1 ZINC000587878070 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1 ZINC000587878081 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)c(Br)c2Br)c(Br)c1 ZINC000587878091 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Oc2ccc(Br)cc2Br)cc1Br ZINC000587878102 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2c(Br)cc(Br)cc2Br)c(Br)cc1Br ZINC000587878106 KK Annotated Mild CCCCCCCCOc1cc(N)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878156 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1NC(=O)c1ccccc1 ZINC000587878167 KK Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Cc2nccc3cc(OC)c(OC)cc23)cc1OC ZINC000587878191 KK Annotated Mild CCOc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878252 KK Annotated Mild CCCCCCCCCCOc1cc(Br)c(O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878253 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2ccc(Br)cc2Br)c(Br)cc1Br ZINC000587878271 KK Annotated Mild CCCCCCCCCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(O)cc1Br ZINC000587878302 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587878314 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1cc(Br)c(Br)cc1Br ZINC000587878326 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Br)cc1Oc1ccc(Br)cc1Br ZINC000587878334 KK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)c2ccc(Cl)cc2Cl)cc1C ZINC000587878339 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Oc2c(Br)cc(Br)cc2Br)cc1Br ZINC000587878368 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NN=C(Br)c2ccccc2)c(Br)c1 ZINC000587878421 KK Annotated Mild C[C@@H](Cl)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878454 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br ZINC000587878455 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2cc(Br)ccc2Br)c(Br)c1 ZINC000587878498 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1 ZINC000587878508 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1OC[C@@H]1CCCCO1 ZINC000587878522 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1OC[C@H]1CCCCO1 ZINC000587878523 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(Oc2ccc(Br)cc2Br)c1 ZINC000587878554 KK Annotated Mild C[C@@H](Cl)C(=O)Nc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878556 KK Annotated Reactive C[C@H](Cl)C(=O)Nc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878557 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2Br)cc1 ZINC000587878578 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC[C@@H]2CCCCO2)c(Br)c1 ZINC000587878593 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC[C@H]2CCCCO2)c(Br)c1 ZINC000587878594 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@H](C(=O)O)c2ccccc2)c(Br)c1 ZINC000587878602 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)c(Br)c1 ZINC000587878603 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1O[C@H](C(=O)O)c1ccccc1 ZINC000587878626 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1O[C@@H](C(=O)O)c1ccccc1 ZINC000587878627 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1cc(Br)ccc1Br ZINC000587878694 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1NN=C(Br)c1ccccc1 ZINC000587878764 KK Annotated Mild O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878792 KK Annotated Mild Cc1cc(-n2c(C)cc(C(=O)CCl)c2C)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587878794 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000587878805 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1Oc1ccc(Br)cc1Br ZINC000587878833 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2)c(Br)c1 ZINC000587878866 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1ccc(Br)cc1Br ZINC000587878896 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1COC(=O)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 ZINC000587878909 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1ccc(Br)cc1 ZINC000587878913 KK Annotated Mild CCCCCCCC(=O)Oc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c12 ZINC000587878926 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1noc(-c2cccc(Cl)c2Cl)n1 ZINC000587878977 KK Annotated Mild CCCCCCCCC(=O)Oc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(Cl)c12 ZINC000587878983 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C[C@H](Cc1ccccc1Br)C(=O)O ZINC000587879056 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C[C@@H](Cc1ccccc1Br)C(=O)O ZINC000587879057 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2ccccc2c1-c1c(Br)ccc2ccccc12 ZINC000587879168 KK Annotated Mild COc1cc(OC)cc(C(=O)Nc2ccc(C)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587879341 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000587879373 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)C[C@H]1C(=O)O ZINC000587879409 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2Br)cc1Br ZINC000587879460 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879464 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O ZINC000587879467 KK Annotated Mild CC(C)c1ccc(OCC(=O)Nc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587879488 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NN/C(=C\c1ccccc1)c1ccccc1 ZINC000587879534 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NN/C(=C/c1ccccc1)c1ccccc1 ZINC000587879535 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000587879550 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000587879551 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C(=O)Oc1ccccc1Br ZINC000587879597 KK Annotated Mild CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587879611 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1C=NNc1ccc(Cl)c(C(=O)O)c1 ZINC000587879655 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1OC(=O)c1ccccc1Br ZINC000587879659 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2ccc(Br)cc2Br)ccc1Br ZINC000587879697 KK Annotated Mild CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587879703 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(-c2ccc(O)c(Br)c2)ccc1O ZINC000587879753 KK Annotated Mild CCOC(=O)c1ccc(Oc2ccc(C=O)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1 ZINC000587879912 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)c(Br)c2)cc1 ZINC000587879914 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587879919 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(/C=C/c2ccc(O)cc2)ccc1/C=C\c1ccc(O)cc1 ZINC000587879920 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(/C=C\c2ccc(O)cc2)ccc1/C=C/c1ccc(O)cc1 ZINC000587879921 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(/C=C\c2ccc(O)cc2)ccc1/C=C\c1ccc(O)cc1 ZINC000587879922 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(/C=C/c2ccc(O)cc2)ccc1/C=C/c1ccc(O)cc1 ZINC000587879923 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000587879946 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)ccc1Oc1ccc(Br)c(Br)c1 ZINC000587879949 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2c(Br)cccc2Br)cc1Br ZINC000587880069 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2ccc(Br)cc2)ccc1Br ZINC000587880087 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2ccc(Br)c(Br)c2)ccc1Br ZINC000587880132 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2)cc1Br ZINC000587880196 KK Annotated Mild Nc1ccc(-c2ccc(N)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000587880202 KK Annotated Mild COc1ccc(C=O)cc1COc1ccc(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587880225 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)c(Br)c2)cc1Br ZINC000587880228 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cl)c1ccccc1 ZINC000587880293 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cl)c1ccccc1 ZINC000587880295 KK Annotated Reactive COc1ccc(-c2ccc(OC)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1Br ZINC000587880310 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Oc2c(Br)cccc2Br)ccc1Br ZINC000587880325 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)c(Br)c2)c(Br)c1 ZINC000587880345 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Br)c1Oc1ccc(Br)c(Br)c1 ZINC000587880377 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1Oc1ccc(Br)c(Br)c1 ZINC000587880378 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@H](C(=O)O)c2ccccc2)c(Cl)c1 ZINC000587880741 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)c(Cl)c1 ZINC000587880742 KK Annotated Mild CC(C)N(CC[C@@H](c1ccccc1)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1)C(C)C ZINC000587880752 KK Annotated Mild CC(C)N(CC[C@H](c1ccccc1)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1)C(C)C ZINC000587880753 KK Annotated Mild Nc1ccc(N=Nc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Br)c(N)c1 ZINC000587880794 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl ZINC000587880796 KK Annotated Mild CCc1ccc(OCC(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C(C)C)cc1 ZINC000587880797 KK Annotated Mild COC(=O)c1ccc(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Cl)o1 ZINC000587880822 KK Annotated Mild COc1cc(Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])ccc1O ZINC000587880879 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000587880916 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(Br)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000587881031 KK Annotated Mild COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)C1CCCCC1 ZINC000587881039 KK Annotated Mild COc1ccc(C=O)cc1COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587881125 KK Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000587881128 KK Annotated Mild COC(=O)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587881155 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587881215 KK Annotated Mild Nc1cc(Br)ccc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587881264 KK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1NC(=O)COc1ccc(C(C)C)cc1 ZINC000587881274 KK Annotated Mild CCOc1ccc(C(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2Cl)cc1 ZINC000587881357 KK Annotated Mild CC(C)(C)OC(=O)CCCOc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C=O ZINC000587881403 KK Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000587881454 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000587881462 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(OCc2ccccc2)c(Br)c1 ZINC000587881497 KK Annotated Mild Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587881531 KK Annotated Mild Nc1ccc(N=Nc2ncc(Br)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(N)c1 ZINC000587881680 KK Annotated Mild O=Cc1cn(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)nc1C12CC3CC(CC(C3)C1)C2 ZINC000587881815 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C2=NCC(=O)Nc3c2oc2ccccc32)c1 ZINC000587881921 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3cccc(Br)c3)cc(C(=O)O)c2c1 ZINC000587881970 KK Annotated Mild CN1C/C(=C/c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 ZINC000587882115 KK Annotated Mild CN1C/C(=C\c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 ZINC000587882118 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(/C=C\c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 ZINC000587882231 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 ZINC000587882232 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2[nH]nc(-c3cccc(Br)c3)c2Cl)c1 ZINC000587882346 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2nnc(C(Cl)(Cl)Cl)o2)c1 ZINC000587882389 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccn1 ZINC000587882431 KK Annotated Mild COC(=O)c1cc(Br)ccc1Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(=O)OC ZINC000587882476 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(COc2cc(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587882508 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Oc2cccc(Br)c2)c1 ZINC000587882598 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1 ZINC000587882720 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(O)c(C=Nc2ccc3c4c(cccc24)CC3)c1 ZINC000587882745 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2cc(Br)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)CC1 ZINC000587882937 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Oc2cc(Br)cc(Br)c2)c1 ZINC000587882969 KK Annotated Mild COc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000587882970 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(Br)cc2C(=O)O)c(C(=O)O)c1 ZINC000587883068 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2Cl)C[C@H]1C(=O)O ZINC000587883128 KK Annotated Mild CCCn1c(NCc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)nc2ccccc21 ZINC000587883137 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)c2c[nH]c(C(=O)C(Cl)(Cl)Cl)c2)c1 ZINC000587883167 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 ZINC000587883169 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@H](Cl)C(=O)c2cccc(Br)c2)c1 ZINC000587883177 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@@H](Cl)C(=O)c2cccc(Br)c2)c1 ZINC000587883178 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(NC(=O)OCc3ccccc3)CC2)cc1 ZINC000587883196 KK Annotated Mild CCc1ccc(-n2c(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cc(C(=O)OC)c2C)cc1 ZINC000587883197 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000587883200 KK Annotated Mild Cc1ccc(N(c2ccc(C)cc2)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587883201 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000587883205 KK Annotated Mild Nc1[nH]nc(CCC2CCCCC2)c1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883226 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000587883263 KK Annotated Mild O=C(O)CCc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883311 KK Annotated Mild Cc1cccc(N(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c2cccc(C)c2)c1 ZINC000587883343 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@H](O)C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587883348 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@H](O)C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587883349 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@H](O)C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587883350 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@H](O)C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587883351 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1 ZINC000587883354 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1 ZINC000587883366 KK Annotated Mild O=C(O)/C=C/c1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc2ccccn12 ZINC000587883387 KK Annotated Mild O=C(O)/C=C\c1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc2ccccn12 ZINC000587883388 KK Annotated Mild O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883397 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1 ZINC000587883401 KK Annotated Mild O=C(O)CCC(=O)N1NC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)=C[C@@H]1c1ccc(Br)cc1 ZINC000587883410 KK Annotated Mild O=C(O)CCC(=O)N1NC(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)=C[C@H]1c1ccc(Br)cc1 ZINC000587883411 KK Annotated Mild CCc1ccccc1-n1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc(C(=O)OC)c1C ZINC000587883414 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N=Nc2ccc(Nc3ccccc3)cc2)cc1 ZINC000587883416 KK Annotated Mild COc1ccc2c(c1)C(=O)/C(=C\c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc1)CC2 ZINC000587883420 KK Annotated Mild COc1ccc2c(c1)C(=O)/C(=C/c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc1)CC2 ZINC000587883421 KK Annotated Mild CCOC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[nH]c1-c1ccccc1 ZINC000587883429 KK Annotated Mild CCc1ccc(-n2c(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cc(C(=O)O)c2C)cc1 ZINC000587883444 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(COc2ccc(OC(=O)c3ccccc3)cc2)cc1 ZINC000587883456 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C\c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 ZINC000587883467 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 ZINC000587883468 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000587883476 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000587883477 KK Annotated Mild Cc1c(Cl)cccc1-n1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc(C(=O)O)c1C ZINC000587883498 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@@H]([C@@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587883570 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@H]([C@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587883572 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@H]([C@@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587883575 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@@H]([C@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587883576 KK Annotated Mild CCOC(=O)c1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cn2ccccc12 ZINC000587883579 KK Annotated Mild CCc1ccccc1-n1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc(C(=O)O)c1C ZINC000587883638 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000587883651 KK Annotated Mild CC(C)(C)OC(=O)NCc1ncc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[nH]1 ZINC000587883660 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000587883683 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1 ZINC000587883700 KK Annotated Mild CC1(C)c2ccccc2-c2ccc(N(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)c3ccc(-c4ccccc4)cc3)cc21 ZINC000587883707 KK Annotated Mild O=C(O)CCC(=O)N1NC(c2ccc(Br)cc2)=C[C@@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883731 KK Annotated Mild O=C(O)CCC(=O)N1NC(c2ccc(Br)cc2)=C[C@H]1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587883732 KK Annotated Mild CN(Cc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1)C(=O)CCl ZINC000587883733 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cccc(-c3cccc4ccccc34)c2)cc1 ZINC000587883747 KK Annotated Mild COC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n(-c2cccc(Cl)c2C)c1C ZINC000587883748 KK Annotated Mild Cc1c(CC(=O)O)c(=O)oc2cc3occ(-c4ccc(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cc4)c3cc12 ZINC000587883749 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1 ZINC000587883758 KK Annotated Mild COc1ccc(C2=C[C@H](c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)N(C(=O)CCC(=O)O)N2)cc1 ZINC000587883797 KK Annotated Mild COc1ccc(C2=C[C@@H](c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)N(C(=O)CCC(=O)O)N2)cc1 ZINC000587883798 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 ZINC000587883820 KK Annotated Mild O=C(O)C[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000587883872 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000587883876 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](c2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 ZINC000587883877 KK Annotated Mild CCOC(=O)[C@H](CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)c1ccccc1 ZINC000587883914 KK Annotated Mild CCOC(=O)[C@@H](CC(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)c1ccccc1 ZINC000587883915 KK Annotated Mild CC(C)(C)OC(=O)NC[C@@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000587883916 KK Annotated Mild CC(C)(C)OC(=O)NC[C@H](Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000587883917 KK Annotated Mild COc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587883932 KK Annotated Mild COc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587883935 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2 ZINC000587883966 KK Annotated Mild CCCCCCCCn1c2ccc(Br)cc2c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587883981 KK Annotated Mild CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587883985 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)OCc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1O2 ZINC000587884025 KK Annotated Mild CC1(C)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884039 KK Annotated Mild O=N[C@@H]1/C(=C2\C(=O)Nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)Nc2ccccc21 ZINC000587884061 KK Annotated Mild O=N[C@H]1/C(=C2\C(=O)Nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)Nc2ccccc21 ZINC000587884063 KK Annotated Mild O=N[C@@H]1/C(=C2/C(=O)Nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)Nc2ccccc21 ZINC000587884065 KK Annotated Mild O=N[C@H]1/C(=C2/C(=O)Nc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)Nc2ccccc21 ZINC000587884066 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 ZINC000587884067 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Br)ccc1-2 ZINC000587884089 KK Annotated Mild CC(C)Oc1ccccc1-c1cc(C(=O)O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587884096 KK Annotated Mild CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1O2 ZINC000587884099 KK Annotated Mild CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1O2 ZINC000587884104 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)NCC21CCN(C(=O)OCc2ccccc2)CC1 ZINC000587884143 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C\c3cccnc3)cc(C(=O)O)c2c1 ZINC000587884163 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3cccnc3)cc(C(=O)O)c2c1 ZINC000587884165 KK Annotated Mild CN(C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884166 KK Annotated Mild CN(C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884200 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)c1cc(-c3ccccc3)ccc1n2-c1ccccc1 ZINC000587884201 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@H](O)CNc1ccccc1 ZINC000587884231 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H](O)CNc1ccccc1 ZINC000587884232 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(-c3ccccc3Cl)cc(C(=O)O)c2c1 ZINC000587884233 KK Annotated Mild CCOc1ccccc1-c1cc(C(=O)O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587884235 KK Annotated Mild CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884236 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2 ZINC000587884237 KK Annotated Mild Cc1cccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)c1 ZINC000587884250 KK Annotated Mild Cc1cccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)c1 ZINC000587884251 KK Annotated Mild Cc1ccccc1/C=C\c1cc(C(=O)O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587884259 KK Annotated Mild Cc1ccccc1/C=C/c1cc(C(=O)O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 ZINC000587884260 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C\c3ccncc3)cc(C(=O)O)c2c1 ZINC000587884286 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3ccncc3)cc(C(=O)O)c2c1 ZINC000587884288 KK Annotated Mild COc1ccc(N2COc3ccc4cc(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)ccc4c3C2)cc1 ZINC000587884291 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@H]1CO1 ZINC000587884317 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H]1CO1 ZINC000587884318 KK Annotated Mild Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)c12 ZINC000587884323 KK Annotated Mild O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884343 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@H](Cl)C(=O)c2ccc(Br)cc2)cc1 ZINC000587884372 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@@H](Cl)C(=O)c2ccc(Br)cc2)cc1 ZINC000587884373 KK Annotated Reactive C[C@H](C(=O)c1ccc(Br)cc1)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884377 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(CCN(C(=O)OCc3ccccc3)CC1)CN2 ZINC000587884380 KK Annotated Mild C[C@@H](C(=O)c1ccc(Br)cc1)C(=O)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884382 KK Annotated Mild O=Cc1cn(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1-c1ccccc1 ZINC000587884400 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3ccco3)cc(C(=O)O)c2c1 ZINC000587884411 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C\c3ccco3)cc(C(=O)O)c2c1 ZINC000587884412 KK Annotated Mild C=C(NNc1ccc(Cl)c(C(=O)O)c1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587884422 KK Annotated Mild COc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12 ZINC000587884442 KK Annotated Mild Cc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884451 KK Annotated Mild Cc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884452 KK Annotated Mild CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884469 KK Annotated Mild Nc1c(C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)oc2cc([N+](=O)[O-])ccc12 ZINC000587884473 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)c1ccc(Br)cc1C2=O ZINC000587884495 KK Annotated Mild CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884498 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(=O)C(=O)c1cc(Br)ccc1-2 ZINC000587884502 KK Annotated Mild CCOc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884510 KK Annotated Mild CCOc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884511 KK Annotated Mild CC(C)(C)OC(=O)N1CCC(N2CCc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc32)CC1 ZINC000587884513 KK Annotated Mild CC1(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2-c2cc3c(cc21)C(=O)c1ccccc1C3=O ZINC000587884526 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2 ZINC000587884606 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H]1[C@H]([C@@H]3[C@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587884612 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H]1[C@H]([C@H]3[C@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587884619 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H]1[C@H]([C@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587884624 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@H]1[C@H]([C@@H]3[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000587884627 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@@]1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2 ZINC000587884648 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)[C@]1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2 ZINC000587884650 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884662 KK Annotated Mild C=C[C@@H]1C[C@]12c1cc(Br)ccc1-c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884671 KK Annotated Mild C=C[C@H]1C[C@@]12c1cc(Br)ccc1-c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884672 KK Annotated Mild C=C[C@H]1C[C@]12c1cc(Br)ccc1-c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884673 KK Annotated Mild C=C[C@@H]1C[C@@]12c1cc(Br)ccc1-c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587884674 KK Annotated Mild CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3O2)C1 ZINC000587884688 KK Annotated Mild CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3O2)C1 ZINC000587884689 KK Annotated Mild CN(C)c1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884718 KK Annotated Mild CN(C)c1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884721 KK Annotated Mild COc1cccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)c1 ZINC000587884730 KK Annotated Mild COc1cccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)c1 ZINC000587884731 KK Annotated Mild CCCCn1c2ccc(Br)cc2c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587884737 KK Annotated Mild CCc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884745 KK Annotated Mild CCc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587884812 KK Annotated Mild CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884842 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](c2ccc(Cl)cc2)N2CCNCC2)cc1 ZINC000587884848 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](c2ccc(Cl)cc2)N2CCNCC2)cc1 ZINC000587884851 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(CCOCC1)c1cc(Br)ccc1-2 ZINC000587884869 KK Annotated Mild CCOC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1C(=O)OC(C)(C)C ZINC000587884888 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2 ZINC000587884895 KK Annotated Mild CCCC1(CCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587884899 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(c3cc(Br)ccc3-c3ccc(Br)cc31)c1cc(Br)ccc1-2 ZINC000587884906 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)-c1cc(Br)ccc1C(=O)C2=O ZINC000587884909 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc1O2 ZINC000587884927 KK Annotated Mild CC(=O)c1c(O)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1-c1ccccc1 ZINC000587884935 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)NCCOC(=O)c2ccc(Br)cc2)cc1 ZINC000587884945 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)cc(C(=O)O)c2c1 ZINC000587884949 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C\c3ccc(Cl)cc3)cc(C(=O)O)c2c1 ZINC000587884953 KK Annotated Mild Cc1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)o1 ZINC000587885008 KK Annotated Mild Cc1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)o1 ZINC000587885009 KK Annotated Mild CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587885033 KK Annotated Mild CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587885037 KK Annotated Mild CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2cc(Br)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587885040 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc1O2 ZINC000587885082 KK Annotated Mild CC(C)(C)OC(=O)N1C(=O)[C@H](Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C[C@H]1C(=O)OCc1ccccc1 ZINC000587885110 KK Annotated Mild CC(C)(C)c1ccc(/C=C/c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587885111 KK Annotated Mild CC(C)(C)c1ccc(/C=C\c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)cc1 ZINC000587885132 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c3c(ccc2c1)OC(=O)[C@@H](c1ccccc1)C3 ZINC000587885169 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c3c(ccc2c1)OC(=O)[C@H](c1ccccc1)C3 ZINC000587885172 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C1(CC=CC1)c1cc(Br)ccc1-2 ZINC000587885211 KK Annotated Mild CCCC[C@H](CC)Cn1c2ccc(Br)cc2c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587885236 KK Annotated Mild CCCC[C@@H](CC)Cn1c2ccc(Br)cc2c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587885240 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1 ZINC000587885297 KK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000587885326 KK Annotated Mild CCOC(=O)C1(Cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587885333 KK Annotated Mild CC(C)OC(=O)[C@](O)(c1ccc(Br)cc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885357 KK Annotated Mild CC(C)OC(=O)[C@@](O)(c1ccc(Br)cc1)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885359 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)OCCNC(=O)c2ccc(Br)cc2)cc1 ZINC000587885373 KK Annotated Mild CNc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587885479 KK Annotated Mild Nc1cc(-c2ccc(Br)cc2)nn1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885628 KK Annotated Mild COc1cc2cc(OC)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2cc1Br ZINC000587885650 KK Annotated Mild Cc1ccc(-c2cc(C(=O)O)c(C)n2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1C ZINC000587885653 KK Annotated Mild COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C ZINC000587885663 KK Annotated Mild COC(OC)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000587885693 KK Annotated Mild COC(OC)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1OC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000587885696 KK Annotated Mild COC(=O)c1c(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc(Br)ccc12 ZINC000587885700 KK Annotated Mild COC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n(-c2ccc(Br)cc2)c1C ZINC000587885804 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2ccccc2c(-c2c(O)c(Br)cc3ccccc23)c1O ZINC000587885894 KK Annotated Mild Cc1c(C(=O)O)cc(-c2ccc(Br)cc2)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587885994 KK Annotated Mild CCCCCCCC(=O)Oc1c[nH]c2cc(Cl)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886093 KK Annotated Mild CCCC[C@H](CC)Cn1c2cc(Br)ccc2c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886111 KK Annotated Mild CCCC[C@@H](CC)Cn1c2cc(Br)ccc2c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886112 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(NC(=O)CCl)cn2)cc1 ZINC000587886146 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1Br)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000587886196 KK Annotated Mild CC(C)(C#N)c1ccc(N=c2c(N)c[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)cc1 ZINC000587886208 KK Annotated Mild Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886228 KK Annotated Reactive Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886229 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3cccc4ccccc34)c2c1 ZINC000587886230 KK Annotated Mild COC(=O)c1c(O)c(Br)cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587886245 KK Annotated Mild O=C(O)CCc1cn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nc1-c1ccc(Cl)cc1 ZINC000587886249 KK Annotated Mild COC(=O)c1c(O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2cc(Br)ccc12 ZINC000587886251 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(NC(=O)CCl)cc2)cc1 ZINC000587886365 KK Annotated Reactive Cc1c(C(=O)O)cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Br)cc1 ZINC000587886376 KK Annotated Mild Nc1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)nn1-c1ccc(Br)cc1 ZINC000587886378 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(cc1Br)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000587886393 KK Annotated Mild CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)CC1 ZINC000587886394 KK Annotated Mild CCOc1cc(C=O)ccc1OCCOc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587886402 KK Annotated Mild COc1c(Br)cc2ccccc2c1-c1c(OC)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc2ccccc12 ZINC000587886411 KK Annotated Mild CC(C)(C#N)c1ccc(-n2c(O)nc3cnc4ccc(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cc4c32)cc1 ZINC000587886421 KK Annotated Mild COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1C ZINC000587886452 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1 ZINC000587886540 KK Annotated Mild CC(C)Oc1cccc(N2C(=O)c3ccccc3N/C2=C\Cc2c[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)c1 ZINC000587886563 KK Annotated Mild CC(C)Oc1cccc(N2C(=O)c3ccccc3N/C2=C/Cc2c[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)c1 ZINC000587886569 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Nc2ccc(-c3ccc(Nc4ccc(Br)cc4)cc3)cc2)cc1 ZINC000587886607 KK Annotated Mild COCOc1ccc2cc(Br)ccc2c1-c1c(OCOC)ccc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587886642 KK Annotated Mild CCCCCCCCC(=O)Oc1c[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886644 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3c2)C[C@H]1C(=O)O ZINC000587886666 KK Annotated Mild COC(=O)c1c(OC)c(Br)cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc12 ZINC000587886678 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(-c3ccc4ccccc4c3)c3cc(Br)ccc3c(-c3ccc4ccccc4c3)c2c1 ZINC000587886680 KK Annotated Mild CCCCCCCCC(CCCCCCCC)n1c2cc(Br)ccc2c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886690 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(-c3c(O)ccc4cc(Br)ccc34)c(O)ccc2c1 ZINC000587886781 KK Annotated Mild CC(C)(C)OC(=O)NCc1cccc(Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1 ZINC000587886798 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1 ZINC000587886811 KK Annotated Mild Cc1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1CCNC(=O)OC(C)(C)C ZINC000587886826 KK Annotated Mild CCOC(=O)c1oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1NC(=O)OC(C)(C)C ZINC000587886860 KK Annotated Mild CCOC(=O)c1cc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2n1C(=O)OC(C)(C)C ZINC000587886865 KK Annotated Mild CCCCCCCCn1c2cc(Br)ccc2c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587886875 KK Annotated Mild CC(C)(C#N)c1ccc(N=c2c([N+](=O)[O-])c[nH]c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)cc1 ZINC000587886889 KK Annotated Mild CC(C)(C)OC(=O)Nc1c(C(=O)O)oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc12 ZINC000587886997 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887264 KK Annotated Mild COC(=O)c1cnn(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1-c1ccccc1Cl ZINC000587887298 KK Annotated Mild CCN(CC)c1ccc(N=Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c(O)c1 ZINC000587887322 KK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Oc1ccc(Br)cn1 ZINC000587887409 KK Annotated Mild COc1ccc(Br)cc1Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887469 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887482 KK Annotated Mild CC(C)(C)C(=O)Nc1cc(OC(=O)C(C)(C)C)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 ZINC000587887562 KK Annotated Mild CC(C)(C)c1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c(C(C)(C)C)c1 ZINC000587887568 KK Annotated Mild Cc1ccc(Oc2ncc(Br)cn2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587887629 KK Annotated Mild Cc1ccc(Oc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c(Br)c1 ZINC000587887657 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2ncc(C(=O)O)c2-c2ccccc2Cl)nc1 ZINC000587887661 KK Annotated Mild CCOC(=O)c1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2n1C(=O)OC(C)(C)C ZINC000587887857 KK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(OCc3ccccc3)cccc21 ZINC000587887875 KK Annotated Mild CC(C)(C)OC(=O)n1cc(CCl)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587887878 KK Annotated Reactive CC(C)(C)OC(=O)N1CCC2(CC1)CNc1c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cccc12 ZINC000587887883 KK Annotated Mild COC(=O)c1ccc(COc2ccc3ccccc3c2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1 ZINC000587887885 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(=O)c(Br)c-2oc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(O)ccc12 ZINC000587887893 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1NCC21CCN(C(=O)OCc2ccccc2)CC1 ZINC000587887899 KK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccc([N+](=O)[O-])cc21 ZINC000587887911 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587887947 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587887948 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c2ccccc2c(-c2cccc3ccccc23)c2ccccc12 ZINC000587887951 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)ccc2c1Oc1c(ccc(O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587887988 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)ccc2c1Oc1c(ccc(O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587887991 KK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c3c(c(-c4ccccc4)c(O)nc13)-c1ccccc1C2=O ZINC000587888036 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc[nH]c12 ZINC000587888084 KK Annotated Mild CCCC[C@@H](CC)Cn1c(=O)c2ccc3c4c(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(Br)cc(c1=O)c2c37)c4c65 ZINC000587888148 KK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cccc([N+](=O)[O-])c21 ZINC000587888157 KK Annotated Mild CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(Br)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(C#CCNC(=O)Cc8ccc(Cl)cc8Cl)cc(c1=O)c2c37)c4c65 ZINC000587888161 KK Annotated Mild CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cc5c(=O)n(C[C@@H](CC)CCCC)c(=O)c6ccc(c7c(Br)cc(c1=O)c2c37)c4c65 ZINC000587888165 KK Annotated Mild CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(Br)cc(c1=O)c2c37)c4c65 ZINC000587888169 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2[nH]cc(C(=O)C(Cl)(Cl)Cl)c2c1 ZINC000587888263 KK Annotated Mild CC(C)(C)c1cc(Br)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c1O2 ZINC000587888278 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587888317 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587888321 KK Annotated Mild CCOC(=O)c1c(C)oc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(O)c(Br)c12 ZINC000587888338 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)CN2 ZINC000587888371 KK Annotated Mild CCOC(=O)c1c(C)oc2cc(Br)c(O)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c12 ZINC000587888387 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1-c1ccccc1C2(c1ccccc1)c1ccccc1 ZINC000587888415 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(OCC(=O)Nc2cccnc2)ccc2ccccc12 ZINC000587888426 KK Annotated Mild CO[C@]12C[C@@H](COC(=O)c3cncc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13 ZINC000587888458 KK Annotated Mild COc1cc([C@H]2CC(=O)Nc3c2cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc32)cc(OC)c1OC ZINC000587888463 KK Annotated Mild COc1cc([C@@H]2CC(=O)Nc3c2cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc32)cc(OC)c1OC ZINC000587888467 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(C(=O)O)cc2cc(Br)ccc12 ZINC000587888476 KK Annotated Mild CC(=O)Oc1c(Br)cc2c(c1Br)Oc1c(cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(OC(C)=O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587888508 KK Annotated Mild CC(=O)Oc1c(Br)cc2c(c1Br)Oc1c(cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(OC(C)=O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587888523 KK Annotated Mild CCCCCCCCCCCCNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2c1O ZINC000587888560 KK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccc(CCl)cc21 ZINC000587888607 KK Annotated Reactive CCOC(=O)c1[nH]c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1Br ZINC000587888608 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587888623 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587888626 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c2oc3c(Br)c(O)c([N+](=O)[O-])cc3c(-c3ccccc3C(=O)O)c-2cc([N+](=O)[O-])c1=O ZINC000587888724 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(=O)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c-2oc2c(Br)c(O)ccc12 ZINC000587888737 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587888802 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587888847 KK Annotated Mild CC(=O)Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(OC(C)=O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)[C@]21OC(=O)c2ccccc21 ZINC000587888996 KK Annotated Mild CC(=O)Oc1c(Br)cc2c(c1Br)Oc1c(cc(Br)c(OC(C)=O)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)[C@@]21OC(=O)c2ccccc21 ZINC000587888997 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(Br)c(O)c(C(=O)O)cc2c1 ZINC000587888998 KK Annotated Mild CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2cc([N+](=O)[O-])ccc21 ZINC000587889019 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c([N+](=O)[O-])cc2c(-c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(=O)c(Br)c-3oc12 ZINC000587889116 KK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2c(C=O)cn(C(=O)OC(C)(C)C)c12 ZINC000587889124 KK Annotated Mild CC(C)(C)OC(=O)N1CCC2(CCc3cccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c32)CC1 ZINC000587889198 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c2ccccc2c(-c2ccc3ccccc3c2)c2ccccc12 ZINC000587889367 KK Annotated Mild COc1ccc2cc([C@@H](C)C(=O)Oc3ccc4c(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cccc4c3)ccc2c1 ZINC000587889395 KK Annotated Mild COc1ccc2cc([C@H](C)C(=O)Oc3ccc4c(C#CCNC(=O)Cc5ccc(Cl)cc5Cl)cccc4c3)ccc2c1 ZINC000587889403 KK Annotated Mild CC(C)(C)c1cc2ccc3c(Br)cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c4ccc(c1)c2c34 ZINC000587889423 KK Annotated Mild CCOC(=O)c1[nH]c2ccc(Br)cc2c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889495 KK Annotated Mild CC(C)(C)OC(=O)Nc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)C(C)(C)C)c1 ZINC000587889500 KK Annotated Mild CC(C)(C)OC(=O)Oc1cc(Br)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587889517 KK Annotated Mild CC(C)(C)OC(=O)Nc1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(C(C)(C)C)oc12 ZINC000587889600 KK Annotated Mild COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cnc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NC(=O)C(C)(C)C)c1 ZINC000587889608 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nccc2[nH]c(-c3c(Cl)cccc3Cl)nc12 ZINC000587889615 KK Annotated Mild CC(C)(C)OC(=O)Oc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1Br ZINC000587889648 KK Annotated Mild CC(C)(C)C(=O)Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c2oc(N)nc12 ZINC000587889915 KK Annotated Mild CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000587889925 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587890040 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)nc(Br)n1Cc1ccccc1 ZINC000587890084 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc(Br)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587890236 KK Annotated Mild CC(C)(C)C(=O)Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2oc(N)nc12 ZINC000587890262 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2cccc(-c3cccc(Br)n3)n2)n1 ZINC000587890302 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CC1=C(Br)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O ZINC000587890332 KK Annotated Mild CC1=C[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000587890338 KK Annotated Mild CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)nn1-c1ncccc1Cl ZINC000587890552 KK Annotated Mild O=Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000587890614 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(NC(=O)OCc3ccccc3)cn2c1 ZINC000587891112 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000587891359 KK Annotated Mild Cn1nc(C(F)(F)F)c(C=O)c1Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587891386 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(Cl)c(OC(F)(F)F)c1 ZINC000587891395 KK Annotated Mild COC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000587891397 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)cc(C(=O)O)c2c1 ZINC000587891399 KK Annotated Mild CC(C)(C)OC(=O)Nc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891442 KK Annotated Mild Cc1c(C(=O)O)cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000587891447 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nnc(S)n1-c1cccc(C(F)(F)F)c1 ZINC000587891452 KK Annotated Mild CCCN(CCC)S(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587891487 KK Annotated Mild C[C@H](C(=O)Cl)n1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 ZINC000587891491 KK Annotated Reactive C[C@@H](C(=O)Cl)n1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 ZINC000587891492 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(-c2nn[nH]n2)c1NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000587891517 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)cc(S(=O)(=O)NCc2ccccc2)c1 ZINC000587891529 KK Annotated Mild COc1ccc(C=O)cc1Cn1nc(C(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(F)F ZINC000587891604 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1 ZINC000587891655 KK Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000587891662 KK Annotated Mild CCOC(=O)Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891670 KK Annotated Mild Cc1c(Cl)ccc2c(O)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(C(F)(F)F)nc12 ZINC000587891750 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(N=C=S)c(OC(F)(F)F)c1 ZINC000587891773 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)c1ccc(C)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891796 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)c2[nH]c(C(F)(F)F)nc2c1 ZINC000587891803 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000587891806 KK Annotated Unstable O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(-c2cn3ccc(C(F)(F)F)cc3n2)c1 ZINC000587891830 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(OC(F)(F)F)c1N=C=S ZINC000587891842 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(SC(F)(F)F)c(Br)c1 ZINC000587891850 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)cc(C(=O)O)c2c1 ZINC000587891852 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1S(=O)(=O)NCc1ccccc1 ZINC000587891863 KK Annotated Mild O=C(O)CSc1nnc(-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)n1-c1cccc(C(F)(F)F)c1 ZINC000587891920 KK Annotated Mild Cc1c(Br)cc(S(=O)(=O)C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587891957 KK Annotated Mild Cc1nc(C(F)(F)F)c(C(=O)Nc2c(Br)cc(OC(F)(F)F)cc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587892023 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000587892024 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(OC(F)(F)F)c1Cl ZINC000587892031 KK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)[nH]c(C(F)(F)F)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587892053 KK Annotated Mild CCCCCCNS(=O)(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000587892055 KK Annotated Mild CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)nc12 ZINC000587892066 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000587892067 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2nn[nH]n2)c1 ZINC000587892097 KK Annotated Mild CCOCn1c(-c2ccc(Cl)cc2)c(C#N)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C(F)(F)F ZINC000587892102 KK Annotated Mild CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(C=O)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587892141 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(=O)O)nn2c(C(F)(F)F)cc(-c3ccccc3)nc12 ZINC000587892147 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)s1 ZINC000587892182 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C(\Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587892185 KK Annotated Mild Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cncc1C(=O)c1ccc(OC(F)F)cc1 ZINC000587892195 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000587892213 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1SC(F)(F)F ZINC000587892237 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OCc2cccnc2)c(Cl)cc1C(F)(F)F ZINC000587892267 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s2)s1 ZINC000587892268 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)c(Cl)c1 ZINC000587892323 KK Annotated Mild O=Cc1ccc(Cn2nc(C(F)F)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C(F)F)o1 ZINC000587892361 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(C(F)F)nn(Cc2ccc(C(=O)O)o2)c1C(F)F ZINC000587892379 KK Annotated Mild COc1ccc(COc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2C(F)(F)F)cc1 ZINC000587892380 KK Annotated Mild Cc1cccc(NCc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C(F)(F)F)n1 ZINC000587892423 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000587892455 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCC(F)(F)F)c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000587892494 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)cc(C(=O)O)c2c1 ZINC000587892600 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000587892830 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000587892835 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000587892840 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc1 ZINC000587892842 KK Annotated Mild COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587892873 KK Annotated Mild CC(C)(C)C(=O)Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c(F)c1[N+](=O)[O-] ZINC000587892906 KK Annotated Mild CC(C)(C)C(=O)Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(F)c1[N+](=O)[O-] ZINC000587892960 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)cc(Br)cc1C(F)(F)F ZINC000587892975 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c(N=NNc2cc(Br)ccc2C(F)(F)F)c1 ZINC000587892992 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(NC(=O)C(F)(F)F)cc1C(F)(F)F ZINC000587893063 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)cc1C(F)(F)F ZINC000587893080 KK Annotated Reactive CN(c1c(Br)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC000587893086 KK Annotated Mild Nc1sc2c(c1C(=O)c1ccc(C(F)(F)F)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)CCC2 ZINC000587893093 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=S)NC(=O)c2ccccc2)c(C(F)(F)F)c1 ZINC000587893144 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)c(C(F)(F)F)c1 ZINC000587893188 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587893223 KK Annotated Mild CN(c1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC000587893291 KK Annotated Mild CC(C)(C)OC(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1C(F)(F)F ZINC000587893324 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc(Br)c1C(F)(F)F ZINC000587893333 KK Annotated Mild N#Cc1c(OCC(F)(F)F)ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1OCC(F)(F)F ZINC000587893341 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)Nc2ccccc2F)ccc1OC[C@H]1CCCO1 ZINC000587893909 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)Nc2ccccc2F)ccc1OC[C@@H]1CCCO1 ZINC000587893910 KK Annotated Mild COC(=O)c1ccc(N=Cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2O)c(F)c1 ZINC000587893912 KK Annotated Mild CCOC(=O)c1ccc(-c2cc(O)cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)cc1F ZINC000587894000 KK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(COc2ccc(C(C)=O)cc2F)c1 ZINC000587894155 KK Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc23)c1F ZINC000587894372 KK Annotated Mild CC(C)c1ccc(OCC(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2F)cc1 ZINC000587894453 KK Annotated Mild COc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2cc1[C@H](O)c1ccc(F)c(Cl)c1 ZINC000587894737 KK Annotated Mild COc1nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2cc1[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000587894738 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(F)c(C(=O)C(=O)c2cc(Br)ccc2F)c1 ZINC000587894771 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)cc1I ZINC000587894793 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)cc(C(F)(F)F)c1 ZINC000587894794 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)cc([N+](=O)[O-])c1O ZINC000587894795 KK Annotated Reactive CC1(C)c2cc(I)ccc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587894798 KK Annotated Mild CC(C)(C)OC(=O)Oc1ccc(I)nc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894807 KK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c(Br)c1I ZINC000587894838 KK Annotated Mild CCOP(=O)(OCC)O/C(=C/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000587894846 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1nc(I)cc(I)c1OCc1ccccc1 ZINC000587894850 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)c(I)c(I)n2S(=O)(=O)c1ccccc1 ZINC000587894863 KK Annotated Mild CC(C)(C)c1cc(Br)c(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587894876 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(C(F)(F)F)ccc1I ZINC000587894885 KK Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(I)cc2o1 ZINC000587894892 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)cc(I)c1 ZINC000587894897 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(F)(F)F)ccc1I ZINC000587894905 KK Annotated Mild CC(C)(C)OC(=O)N1CC[C@@H](COc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2I)C1 ZINC000587894908 KK Annotated Mild CC(C)(C)OC(=O)N1CC[C@H](COc2ncc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2I)C1 ZINC000587894909 KK Annotated Mild COc1ccccc1NC(=O)c1cc2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2cc1OP(=O)(O)O ZINC000587894911 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)cc1Br ZINC000587894913 KK Annotated Mild CC(C)(C)OC(=O)Nc1cc(I)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587894921 KK Annotated Mild CC(C)(C)OC(=O)n1cc(I)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 ZINC000587894956 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)cc(Br)c1I ZINC000587894989 KK Annotated Mild Cc1sc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1I ZINC000587895007 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2sc(I)cc2c1 ZINC000587895012 KK Annotated Mild [C-]#[N+][C@@H](c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000587895034 KK Annotated Reactive [C-]#[N+][C@H](c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000587895039 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])c(I)cc1C(F)(F)F ZINC000587895044 KK Annotated Mild CCCCCCCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587895059 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1sc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2c1F ZINC000587895084 KK Annotated Mild COc1ccc(-n2c(S)nnc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000587895086 KK Annotated Mild CCCC[C@@H](CC)COC(=O)c1sc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2c1F ZINC000587895088 KK Annotated Mild CCCCCCCC(=O)c1sc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2c1F ZINC000587895090 KK Annotated Mild COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCCCS(=O)(=O)Cl)cc1CBr ZINC000587895091 KK Annotated Unstable COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587895107 KK Annotated Mild Cc1cccc(CN(C)S(=O)(=O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc2C)c1 ZINC000587895131 KK Annotated Mild CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(O)cc12 ZINC000587895141 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)c(I)c(Cl)n2S(=O)(=O)c1ccccc1 ZINC000587895179 KK Annotated Mild CCc1c(I)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc2n1S(=O)(=O)c1ccccc1 ZINC000587895191 KK Annotated Mild CCOP(=O)(Cc1ccc(C(=O)Nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2C#N)cc1)OCC ZINC000587895206 KK Annotated Mild COC(OC)c1c(I)nc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2nc(C(C)(C)C)oc12 ZINC000587895234 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OC(F)(F)F)c(I)c1 ZINC000587895251 KK Annotated Mild CCCCCCc1cc(I)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895259 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)c(I)c1 ZINC000587895274 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(S)n(CCC3=CCCCC3)c(=O)c2c1 ZINC000587895276 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)c(Br)cc1I ZINC000587895310 KK Annotated Mild CCCCCCCCCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587895322 KK Annotated Mild Nc1c(Br)cccc1SSc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N ZINC000587895338 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(OC(F)(F)F)ccc1I ZINC000587895355 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@@]2(c3cc(Br)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587895384 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@]2(c3cc(Br)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587895387 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(O)c1O)Oc1c(cc(Br)c(O)c1O)[C@@]21OS(=O)(=O)c2ccccc21 ZINC000587895389 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(c(O)c1O)Oc1c(cc(Br)c(O)c1O)[C@]21OS(=O)(=O)c2ccccc21 ZINC000587895390 KK Annotated Mild CCCCCCCCc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895396 KK Annotated Mild Cc1cc(-c2cc(C(=O)O)c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccc3n2)c(C)s1 ZINC000587895401 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c2oc3c(Br)c(O)c(Br)cc3c(-c3ccc(N=C=S)cc3C(=O)O)c-2cc(Br)c1=O ZINC000587895414 KK Annotated Reactive CC(C)(C)OC(=O)n1cc(I)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(Cl)c21 ZINC000587895420 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1-c1ccc(C(=O)CBr)cc1 ZINC000587895432 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2cn3cc(I)ccc3n2)cc1 ZINC000587895438 KK Annotated Mild COP(=O)(OC)O/C(=C/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000587895439 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(I)ccc1Br ZINC000587895451 KK Annotated Mild CC(C)(C)c1nc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)nc(I)c(Cl)c2o1 ZINC000587895456 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(F)(F)F)cc1I ZINC000587895471 KK Annotated Mild Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-] ZINC000587895476 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c(Br)c2c1S(=O)(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000587895484 KK Annotated Mild COC(=O)c1cc2nc[nH]c2c(F)c1Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl ZINC000587895501 KK Annotated Mild CC(C)(C)OC(=O)Oc1cc(I)cnc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895538 KK Annotated Mild Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(Br)c1I ZINC000587895551 KK Annotated Mild Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cc1ccc(-c2ccc(F)cc2)s1 ZINC000587895563 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)cc(OC(F)(F)F)c1 ZINC000587895577 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(I)cn(S(=O)(=O)c3ccccc3)c2c(Cl)n1 ZINC000587895584 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)ccc1OC(F)(F)F ZINC000587895586 KK Annotated Mild CC(C)(C)c1ccc(I)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895602 KK Annotated Mild CC(C)(C)OC(=O)Oc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnc1I ZINC000587895670 KK Annotated Mild CC(C)OCCCn1c(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cnc1S ZINC000587895722 KK Annotated Mild CCCC[C@H](CC)C(=O)c1sc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1F ZINC000587895733 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1sc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1F ZINC000587895740 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)cc1CBr ZINC000587895771 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](Cl)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000587895775 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](Cl)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000587895780 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)ccc1Br ZINC000587895805 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)c(OC(F)(F)F)c1 ZINC000587895818 KK Annotated Mild CC(C)(C)OC(=O)n1cc(I)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc21 ZINC000587895823 KK Annotated Mild [C-]#[N+][C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000587895834 KK Annotated Reactive [C-]#[N+][C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000587895836 KK Annotated Reactive Cc1ccc(S(=O)(=O)n2c(I)cc3c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)ccnc32)cc1 ZINC000587895875 KK Annotated Mild COC(=O)c1cc2nc[nH]c2c(F)c1Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895880 KK Annotated Mild CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)c3nsnc23)sc1Br ZINC000587895887 KK Annotated Mild Cn1nc(-c2ccccc2)c(C=O)c1Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587895902 KK Annotated Mild Cc1cc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895939 KK Annotated Mild CCOc1ccc(-n2c(S)nnc2COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587895942 KK Annotated Mild Cc1cc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587895944 KK Annotated Mild CCn1c(S)nnc1-c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587895949 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(I)c[nH]c2cc1C(F)(F)F ZINC000587895956 KK Annotated Mild CCCCCCCC(=O)c1sc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1F ZINC000587895958 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(I)c1Br ZINC000587895978 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1P(C1CCCCC1)C1CCCCC1 ZINC000587895986 KK Annotated Mild CCn1c(S)nnc1-c1cccc(COc2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587895993 KK Annotated Mild Cc1cc([C@@]2(c3cc(C)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587896014 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000587896020 KK Annotated Mild Cc1cc([C@]2(c3cc(C)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587896023 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1P(c1ccccc1)c1ccccc1 ZINC000587896027 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)ccc1I ZINC000587896054 KK Annotated Mild Nc1onc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)c1-c1ccc(F)cc1 ZINC000587896133 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)Nc2sccc2C(=O)O)c(Cl)c1 ZINC000587896152 KK Annotated Mild CC(C)(C)OC(=O)N1CC(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000587896164 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1S(=O)(=O)Cl ZINC000587896215 KK Annotated Unstable CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896281 KK Annotated Mild Cc1cccc2nc(S)n(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)c(=O)c12 ZINC000587896297 KK Annotated Mild CCCC[C@H](CC)C(=O)c1sc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2c1F ZINC000587896298 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1sc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2c1F ZINC000587896301 KK Annotated Mild CCCCCCCCOC(=O)c1sc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1F ZINC000587896320 KK Annotated Mild COC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587896328 KK Annotated Mild COC(=O)c1c(NC(=O)c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)sc(C)c1C ZINC000587896345 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(/C=C2/NC(=S)N(C(=O)c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000587896367 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 ZINC000587896394 KK Annotated Reactive Cc1c([C@@]2(c3cc(C(C)C)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br ZINC000587896436 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1sc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1F ZINC000587896441 KK Annotated Mild CCCC[C@@H](CC)COC(=O)c1sc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2c1F ZINC000587896442 KK Annotated Mild Cc1c([C@]2(c3cc(C(C)C)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br ZINC000587896459 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1-c1nnc(S)n1-c1ccc(Cl)c(Cl)c1 ZINC000587896494 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)CBr)c1Br ZINC000587896564 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)cc1NC(=S)c1ccccc1 ZINC000587896571 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc(S)n2CCc2ccccc2)cc1 ZINC000587896594 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000587896609 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)c(Cl)c2)cc1 ZINC000587896614 KK Annotated Unstable COc1cc(CBr)c(OCCCS(=O)(=O)Cl)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896625 KK Annotated Unstable Cc1ccc(SCc2nn(C)c(Sc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)c2C=O)cc1 ZINC000587896632 KK Annotated Mild Cn1cnc2c(F)c(Nc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3Cl)c(C(=O)O)cc21 ZINC000587896645 KK Annotated Mild CS(=O)(=O)Cc1ccc(Nc2ccc(Cl)cc2)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000587896654 KK Annotated Mild CC(C)(C)Sc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(SC(C)(C)C)c1 ZINC000587896670 KK Annotated Mild CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896743 KK Annotated Mild CCCCCCCCOC(=O)c1sc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2c1F ZINC000587896753 KK Annotated Mild CC(C)(C)OC(=O)N1CC(Sc2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)C1 ZINC000587896778 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c(NC(=S)c2ccccc2)c1 ZINC000587896780 KK Annotated Mild COc1cccc(C2=C[C@H](c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)N(c3ccc(S(N)(=O)=O)cc3)N2)c1 ZINC000587896841 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c(Br)c2c1C(c1ccc(O)cc1)(c1ccc(O)cc1)OS2(=O)=O ZINC000587896847 KK Annotated Mild COc1cccc(C2=C[C@@H](c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)N(c3ccc(S(N)(=O)=O)cc3)N2)c1 ZINC000587896849 KK Annotated Mild Cc1c([C@@]2(c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br ZINC000587896863 KK Annotated Mild Cc1c([C@]2(c3cc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br ZINC000587896868 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc2c(Br)c1O ZINC000587896875 KK Annotated Reactive CCCCCCCCCCCCc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587896878 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c2c(c1Br)S(=O)(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000587896905 KK Annotated Mild CCn1c(S)nnc1-c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)s1 ZINC000587896935 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SSc2ccc(Br)cn2)nc1 ZINC000587896959 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)csc1C(=O)CBr ZINC000587896995 KK Annotated Reactive CCCCCCCCCCc1cc(Br)sc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897045 KK Annotated Mild [C-]#[N+][C@@H](c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000587897055 KK Annotated Reactive Cc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(NS(=O)(=O)c2cc(N)ccc2Cl)c1 ZINC000587897056 KK Annotated Mild [C-]#[N+][C@H](c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000587897057 KK Annotated Reactive CCCCCCCCn1c(S)nnc1COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 ZINC000587897060 KK Annotated Mild CCOC(=O)c1c(NC(=O)CCl)sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1-c1ccccc1 ZINC000587897063 KK Annotated Reactive CC(C)(C)c1ccc(-c2nnc(S)n2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000587897071 KK Annotated Mild CCCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCCCC)c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)sc1Br ZINC000587897072 KK Annotated Mild CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(O)c(CN(C)C)c12 ZINC000587897089 KK Annotated Mild Nc1cc(Br)ccc1SSc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1N ZINC000587897133 KK Annotated Reactive COC(=O)c1scc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000587897161 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(S)n(Cc3ccccc3Cl)c(=O)c2c1 ZINC000587897167 KK Annotated Mild Cc1cccc(NS(=O)(=O)c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C ZINC000587897172 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3oc-2c(Br)c1=O ZINC000587897181 KK Annotated Reactive CCCCCCCCCCCCc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)sc1Br ZINC000587897182 KK Annotated Mild CCCCCCc1c(Br)sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1CCCCCC ZINC000587897194 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)c(Br)c2c(c1Br)C(c1ccc(O)cc1)(c1ccc(O)cc1)OS2(=O)=O ZINC000587897207 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(SSc2cc(Br)ccc2Cl)c1 ZINC000587897211 KK Annotated Reactive Cc1ccc(NS(=O)(=O)c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1 ZINC000587897222 KK Annotated Mild Cc1cc([C@]2(c3cc(C)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3C)OS(=O)(=O)c3ccccc32)c(C)c(Br)c1O ZINC000587897227 KK Annotated Mild Cc1cc([C@@]2(c3cc(C)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3C)OS(=O)(=O)c3ccccc32)c(C)c(Br)c1O ZINC000587897229 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc12 ZINC000587897231 KK Annotated Reactive Cc1c(-n2c(S)nnc2-c2ccccc2C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000587897241 KK Annotated Mild Cc1cc(C)cc(-n2c(S)nnc2-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c1 ZINC000587897263 KK Annotated Mild Cn1c(Sc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)c(C=O)c2ccccc21 ZINC000587897271 KK Annotated Mild C[C@@H](c1ccccc1)n1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587897273 KK Annotated Mild C[C@H](c1ccccc1)n1c(S)nc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1=O ZINC000587897277 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@@]2(c3cc(Cl)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Cl)c1O ZINC000587897278 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([C@]2(c3cc(Cl)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Cl)c1O ZINC000587897283 KK Annotated Mild Cc1c([C@@]2(c3cc(Br)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br ZINC000587897289 KK Annotated Mild Cc1c([C@]2(c3cc(Br)c(O)c(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c(O)c1Br ZINC000587897290 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000587897370 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)s1 ZINC000587897384 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)s1 ZINC000587897385 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)sc1-c1sc(Br)cc1Br ZINC000587897393 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1 ZINC000587897421 KK Annotated Mild CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587897437 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897438 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587897439 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587897440 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000587897453 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3cccs3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897466 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000587897467 KK Annotated Mild CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000587897468 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000587897469 KK Annotated Mild CCCCCCc1cc(Br)sc1-c1sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1CCCCCC ZINC000587897471 KK Annotated Mild Cc1cc(C)cc(Nc2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cs2)c1 ZINC000587897517 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N3CCC(C(=O)O)CC3)n2)cc1 ZINC000587897520 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(CNC(=O)c3ccccc3)n2)cc1 ZINC000587897548 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cn2c(NC(=O)c3ccc(Cl)cc3)c(-c3cccs3)nc12 ZINC000587897551 KK Annotated Mild Cc1cc(C)cc(N(C(=O)CCl)c2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cs2)c1 ZINC000587897562 KK Annotated Reactive CCCCCCCCCCc1cc(-c2cccs2)sc1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)s1 ZINC000587897582 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)CCl)n2)cc1 ZINC000587897650 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)CCl)n2)cc1 ZINC000587897651 KK Annotated Reactive CCCCCCCCN1C(=O)c2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1=O ZINC000587897696 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)c2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1=O ZINC000587897722 KK Annotated Mild CCCC[C@@H](CC)CN1C(=O)c2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1=O ZINC000587897723 KK Annotated Mild CCOc1cc(-c2csc(N)n2)c(OCC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897737 KK Annotated Mild COC(=O)c1sc(NC(=O)c2ccc(Br)s2)c(C(=O)OC)c1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587897740 KK Annotated Mild O=Cc1ccc(-c2ccc(C3=S=C(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)C=C3)s2)s1 ZINC000587897747 KK Annotated Mild CCCCCCCCN1C(=O)C2=C(c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587897756 KK Annotated Mild CCCCCCCN1C(=O)c2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2C1=O ZINC000587897797 KK Annotated Mild CCOC(=O)c1sc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1NC(=O)CCl ZINC000587897806 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN([C@@H](c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)c2ccccc2O)CC1 ZINC000587897861 KK Annotated Mild CC(C)(C)OC(=O)N1CCN([C@H](c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)c2ccccc2O)CC1 ZINC000587897862 KK Annotated Mild COC(=O)c1sc(NC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)c(C(=O)OC)c1CBr ZINC000587897878 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2nc(/C=C/c3cccs3)cc(C(=O)O)c2c1 ZINC000587897908 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(-c3cccc(-c4nc(-c5ccc(Br)cc5)cs4)c3)n2)cc1 ZINC000587897915 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(OC)c(CBr)cc1OCC[C@@H](C)CCCC(C)C ZINC000587897957 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(OC)c(CBr)cc1OCC[C@H](C)CCCC(C)C ZINC000587897958 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr ZINC000587897963 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000587897971 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2sc3cc(Br)sc3c2s1 ZINC000587897990 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000587898025 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)o1 ZINC000587898026 KK Annotated Mild C=C(C#Cc1cc(Cl)ccc1OC)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000587898036 KK Annotated Mild C=C(C#Cc1cc(Cl)ccc1OC)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O ZINC000587898042 KK Annotated Mild CCCCCCCC(=O)c1cc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2s1 ZINC000587898047 KK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C1\N=C(SC)SC1=O ZINC000587898051 KK Annotated Mild COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1/C=C1/N=C(SC)SC1=O ZINC000587898061 KK Annotated Mild C[C@H]1CCc2c(sc(N)c2C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000587898113 KK Annotated Mild C[C@@H]1CCc2c(sc(N)c2C(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)C1 ZINC000587898114 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C/c2nc(Cl)c3c4c(sc3n2)CCCC4)cc1 ZINC000587898122 KK Annotated Mild COc1ccc(/C=C2\N=C(SC)SC2=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587898160 KK Annotated Mild COc1ccc(/C=C2/N=C(SC)SC2=O)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl ZINC000587898161 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1 ZINC000587898210 KK Annotated Mild COc1ccc(Cl)cc1C#C/C(Br)=C/[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000587898265 KK Annotated Mild COc1ccc(Cl)cc1C#C/C(Br)=C\[C@H]1[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)C1(C)C ZINC000587898266 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-n2c(S)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000587898296 KK Annotated Mild N#Cc1c(N)nc2sc(C(=O)Nc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)c(N)c2c1-c1ccco1 ZINC000587898303 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(Br)Br)c2nsnc12 ZINC000587898307 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(OCc2ccccc2Br)c(/C=C2/SC(=S)NC2=O)c1 ZINC000587898353 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(Br)c2cc(C(=O)O)sc12 ZINC000587898358 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(CBr)c(CBr)cc1CBr ZINC000587898360 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000587898376 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1 ZINC000587898377 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(Br)Br)c(C(Br)Br)cc1Br ZINC000587898386 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nnc3n2NC(c2ccc(O)c(O)c2)=CS3)cc1 ZINC000587898413 KK Annotated Mild CCCCCCCCOc1cc(CC#Cc2cc(Cl)ccc2OC)c(OC)cc1CBr ZINC000587898479 KK Annotated Reactive COc1ccc(Cl)cc1C#Cc1cc(CBr)c(Br)cc1CBr ZINC000587898532 KK Annotated Reactive O=C(O)CSc1ncnc2cc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)sc12 ZINC000587898603 KK Annotated Mild Cc1sc2nc(CSc3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)nc(Cl)c2c1C ZINC000587898637 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SCc2nc(Cl)c3c4c(sc3n2)CCCC4)cc1 ZINC000587898707 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc2c1sc1c(Br)cccc12 ZINC000587898722 KK Annotated Mild CCCCCCCC(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2s1 ZINC000587898723 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(OCC[C@@H](C)CCCC(C)C)c(CBr)cc1OC ZINC000587898738 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(OCC[C@H](C)CCCC(C)C)c(CBr)cc1OC ZINC000587898740 KK Annotated Reactive CCCC[C@H](CC)COc1cc(CBr)c(OC)cc1CC#Cc1cc(Cl)ccc1OC ZINC000587898772 KK Annotated Reactive CCCC[C@@H](CC)COc1cc(CBr)c(OC)cc1CC#Cc1cc(Cl)ccc1OC ZINC000587898774 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c2sc(-c3ccccc3)nc12 ZINC000587898790 KK Annotated Mild CCCC[C@H](CC)COc1cc(CC#Cc2cc(Cl)ccc2OC)c(OC)cc1CBr ZINC000587898805 KK Annotated Reactive CCCC[C@@H](CC)COc1cc(CC#Cc2cc(Cl)ccc2OC)c(OC)cc1CBr ZINC000587898806 KK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(Br)ccc1-2 ZINC000587898826 KK Annotated Reactive CCCCCCCCOc1cc(CBr)c(OC)cc1CC#Cc1cc(Cl)ccc1OC ZINC000587898828 KK Annotated Reactive CCOC(=O)c1c(CC#Cc2cc(Cl)ccc2OC)n(C)c2cc(Br)c(OC(C)=O)cc12 ZINC000587898867 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(Br)c(CBr)cc1Br ZINC000587898883 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccccc1COc1ccc(Br)cc1/C=C1/SC(=S)NC1=O ZINC000587898904 KK Annotated Mild CCCC[C@H](CC)C(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2s1 ZINC000587898907 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1cc2c(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc(Br)c2s1 ZINC000587898908 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Br)c2nc(-c3ccccc3)sc12 ZINC000587898918 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1sc(Br)c2sc(C(=O)O)cc12 ZINC000587898929 KK Annotated Mild CCCC[C@H](CC)C(=O)c1cc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2s1 ZINC000587898931 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1cc2c(Br)sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2s1 ZINC000587898932 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2cc3cc(Br)sc3cc2s1 ZINC000587898934 KK Annotated Mild CCOC(=O)c1c(CBr)n(C)c2cc(C#Cc3cc(Cl)ccc3OC)c(OC(C)=O)cc12 ZINC000587898947 KK Annotated Reactive CCCC[C@H](CC)COc1c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc2c(OC[C@@H](CC)CCCC)c2cc(Br)sc12 ZINC000587899009 KK Annotated Mild CCCC[C@@H](CC)COc1c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc2c(OC[C@H](CC)CCCC)c2cc(Br)sc12 ZINC000587899010 KK Annotated Mild CCCC[C@H](CC)COc1c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc2c(OC[C@H](CC)CCCC)c2cc(Br)sc12 ZINC000587899011 KK Annotated Mild CCCC[C@H](CC)COc1c2cc(Br)sc2c(OC[C@H](CC)CCCC)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)sc12 ZINC000587899012 KK Annotated Mild CCCCCCC1(CCCCCC)c2cc(CBr)ccc2-c2ccc(CC#Cc3cc(Cl)ccc3OC)cc21 ZINC000587899041 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1ccc2ccccc2c1-c1c(CBr)ccc2ccccc12 ZINC000587899047 KK Annotated Reactive CCc1c(CBr)c(CC)c(CC#Cc2cc(Cl)ccc2OC)c(CC)c1CBr ZINC000587899070 KK Annotated Reactive CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2cc(Br)sc2-c2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587899099 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(OCC[C@@H](C)CCCC(C)C)c(CBr)cc1OCC[C@H](C)CCCC(C)C ZINC000587899101 KK Annotated Reactive CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2cc(Br)sc2-c2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587899102 KK Annotated Mild CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2cc(Br)sc2-c2sc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 ZINC000587899103 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(OCC[C@@H](C)CCCC(C)C)c(CBr)cc1OCC[C@@H](C)CCCC(C)C ZINC000587899104 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(OCC[C@H](C)CCCC(C)C)c(CBr)cc1OCC[C@H](C)CCCC(C)C ZINC000587899106 KK Annotated Reactive COc1ccc(Cl)cc1C#CCc1cc(OCC[C@H](C)CCCC(C)C)c(CBr)cc1OCC[C@@H](C)CCCC(C)C ZINC000587899108 KK Annotated Reactive O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 ZINC000587899110 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc(/C=C3/SC(=S)NC3=O)o2)cc1 ZINC000587899114 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000587899115 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2cc3sc(Br)cc3cc2s1 ZINC000587899116 KK Annotated Mild CCCCCCCCOc1cc(CC#Cc2cc(Cl)ccc2OC)c(OCCCCCCCC)cc1CBr ZINC000587899123 KK Annotated Reactive CN1C(=O)/C(=C/c2ccc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)o2)SC1=S ZINC000587899210 KK Annotated Mild CN1C(=O)/C(=C\c2ccc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)o2)SC1=S ZINC000587899211 KK Annotated Mild O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc2c1sc1c(Br)csc12 ZINC000587899233 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Br)c1CO ZINC000587899291 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1Br ZINC000587899297 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)c(Br)c1Oc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000587899316 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2cc(Br)c(Br)cc2Br)c(Br)c1Br ZINC000587899321 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)c(Br)c(O)c1Br ZINC000587899322 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1OCc1ccc(C=O)o1 ZINC000587899326 KK Annotated Mild C=C(C)C(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1C#Cc1cc(Cl)ccc1OC ZINC000587899327 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc(Br)c(Br)c1Br ZINC000587899334 KK Annotated Mild C=CC(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1C#Cc1cc(Cl)ccc1OC ZINC000587899335 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(OCc2ccc(C=O)o2)c(Br)c1 ZINC000587899347 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1c(Br)cc(Br)cc1Br ZINC000587899349 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c1Br ZINC000587899369 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cc1Oc1c(Br)cc(Br)c(Br)c1Br ZINC000587899371 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(CO)c(Br)c1Br ZINC000587899374 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)ccc(Oc2cc(Br)c(Br)cc2Br)c1Br ZINC000587899403 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cc1Oc1ccc(Br)c(Br)c1Br ZINC000587899408 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2cc(Br)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000587899418 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(NN=C(Br)c2ccccc2)c(Br)c1 ZINC000587899426 KK Annotated Mild CCc1oc2ccccc2c1[C@H](O)c1cc(Br)c(C)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587899443 KK Annotated Mild CCc1oc2ccccc2c1[C@@H](O)c1cc(Br)c(C)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587899445 KK Annotated Mild C=CC(=O)Oc1c(Br)c(Br)c(Br)c(Br)c1C#Cc1cc(Cl)ccc1OC ZINC000587899455 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(OCc2cc(C=O)ccc2OC)c(Br)c1 ZINC000587899463 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587899479 KK Annotated Mild CCCC[C@@H](CC)COC(=O)c1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587899483 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1C(=O)OC[C@@H](CC)CCCC ZINC000587899485 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587899486 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc(-c2cc(Br)c(O)c(Br)c2O)c1O ZINC000587899497 KK Annotated Mild C=CC(=O)Oc1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1Br ZINC000587899553 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)c1Br ZINC000587899582 KK Annotated Mild C=CC(=O)OCc1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1Br ZINC000587899585 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(C#Cc2cc(Cl)ccc2OC)c(Br)c(Br)c(Br)c1C(=O)OC[C@H](CC)CCCC ZINC000587899588 KK Annotated Mild CCCC[C@@H](CC)COC(=O)c1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)OC[C@H](CC)CCCC ZINC000587899589 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)OC[C@@H](CC)CCCC ZINC000587899590 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1C(=O)OC[C@H](CC)CCCC ZINC000587899592 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1c(Br)cc(Br)c(Br)c1Br ZINC000587899630 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Oc2cc(Br)c(Br)c(Br)c2Br)c(Br)c1Br ZINC000587899633 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1Br ZINC000587899646 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1cc(Br)c(Br)c(Br)c1 ZINC000587899675 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)cc1Br ZINC000587899688 KK Annotated Mild C=CC(=O)OCc1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1Br ZINC000587899689 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c1Br ZINC000587899777 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2ccc(Br)c(Br)c2Br)cc1Br ZINC000587899815 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2ccc(Br)c(Br)c2Br)c(Br)cc1Br ZINC000587899909 KK Annotated Mild CCOC(=O)c1ccccc1/C(=C1/C=C(Br)C(=O)C(C#Cc2cc(Cl)ccc2OC)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587899936 KK Annotated Mild CCOC(=O)c1ccccc1/C(=C1\C=C(Br)C(=O)C(C#Cc2cc(Cl)ccc2OC)=C1)c1cc(Br)c(O)c(Br)c1 ZINC000587899937 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)c(Br)c(Br)c1Br ZINC000587899950 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2cc(Br)ccc2Br)c(Br)c1 ZINC000587899968 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1cc(Br)ccc1Br ZINC000587900008 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(Br)c(Br)c(O)c1Br ZINC000587900028 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc1Br ZINC000587900053 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc(Br)c1Br ZINC000587900064 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(O)c(Br)c1Br ZINC000587900080 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(-c2cc(Br)c(O)c(Br)c2O)c(O)c(Br)c1O ZINC000587900088 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2c(Br)cc(Br)cc2Br)c(Br)cc1Br ZINC000587900100 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1ccc(Br)cc1Br ZINC000587900160 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cc(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c1Br ZINC000587900168 KK Annotated Mild CCc1c(Br)c(Br)c(Br)c(Br)c1C#Cc1cc(Cl)ccc1OC ZINC000587900181 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1cc(Br)c(Br)c(Br)c1Br ZINC000587900192 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(O)c(Br)c(Br)c1Br ZINC000587900229 KK Annotated Mild C=C(C)C(=O)OCc1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1Br ZINC000587900230 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(C)c(Br)c(Br)c1Br ZINC000587900248 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1NN=C(Br)c1ccccc1 ZINC000587900251 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2cc(Br)c(Br)c(Br)c2)ccc1Br ZINC000587900258 KK Annotated Mild CCc1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1Br ZINC000587900269 KK Annotated Mild C=C(C)C(=O)OCc1c(Br)c(Br)c(Br)c(Br)c1C#Cc1cc(Cl)ccc1OC ZINC000587900271 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(CO)c1Br ZINC000587900280 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)c2cc(Br)c(O)c(Br)c2)cc(Br)c1O ZINC000587900282 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)cc(Br)c1Oc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000587900295 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1c(Br)c(Br)c(Br)c(Br)c1Br ZINC000587900298 KK Annotated Mild C=C(C)C(=O)Oc1c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c(Br)c1Br ZINC000587900377 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cc1Oc1ccc(Br)cc1Br ZINC000587900397 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc12 ZINC000587900406 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2c(Br)cc(Br)c(Br)c2Br)c(Br)cc1Br ZINC000587900411 KK Annotated Mild C=CC(=O)Oc1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1Br ZINC000587900421 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2ccc(Br)cc2)c(Br)c1 ZINC000587900427 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(O)c(C)c(Br)c1Br ZINC000587900430 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Oc2c(Br)cc(Br)c(Br)c2Br)c(Br)c1Br ZINC000587900439 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br ZINC000587900440 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)c(Br)c(C)c1Br ZINC000587900446 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)cc(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587900472 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1OCc1cc(C=O)ccc1OC ZINC000587900485 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc1Br ZINC000587900490 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Oc2cc(Br)c(Br)c(Br)c2)c(Br)c1Br ZINC000587900574 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Oc2cc(Br)c(Br)cc2Br)ccc(Br)c1Br ZINC000587900607 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(C)c(O)c(Br)c1Br ZINC000587900613 KK Annotated Mild C=C(C)C(=O)Oc1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1Br ZINC000587900616 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(Br)cc2Br)c(Br)c1Br ZINC000587900628 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)cc1Br ZINC000587900633 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2cc(Br)c(Br)cc2Br)c(Br)cc1Br ZINC000587900656 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2cc(Br)c(Br)c(Br)c2)cc1Br ZINC000587900698 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587900781 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2ccc(Br)cc2Br)c(Br)c1 ZINC000587900790 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cc1Oc1c(Br)cc(Br)cc1Br ZINC000587900815 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)c1Br ZINC000587900838 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(O)c(Br)c(Br)c1Br ZINC000587900845 KK Annotated Mild C=C(C)C(=O)OCc1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1Br ZINC000587900858 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1Oc1ccc(Br)cc1 ZINC000587900862 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(Br)c(Br)c(C)c1Br ZINC000587900864 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)cc(Oc2ccc(Br)c(Br)c2)cc1Br ZINC000587900867 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Oc2cc(Br)c(Br)c(Br)c2)c1Br ZINC000587900879 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)ccc(Oc2ccc(Br)cc2Br)c1Br ZINC000587900881 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(O)c(O)c(Br)c1Br ZINC000587900884 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)c2cc(Br)c(OCCO)c(Br)c2)cc(Br)c1OCCO ZINC000587900885 KK Annotated Mild CCOC(=O)c1ccccc1C(=C1C=C(Br)C(=O)C(Br)=C1)c1cc(Br)c(O)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587900933 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)cc1Oc1cc(Br)c(Br)cc1Br ZINC000587900943 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2cc(Br)c(Br)cc2Br)c(Br)c1Br ZINC000587900988 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)c(Br)cc1Br ZINC000587900993 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)cc(Cc2cc(Cl)cc(Br)c2O)c1O ZINC000587901019 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2ccc(Br)c(Br)c2)cc(Br)c1Br ZINC000587901047 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1cc(Br)c(Br)cc1Br ZINC000587901066 KK Annotated Mild CCc1c(Br)c(Br)c(Br)c(C#Cc2cc(Cl)ccc2OC)c1Br ZINC000587901075 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Br)c(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587901084 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)c(Oc2ccc(Br)cc2Br)c1 ZINC000587901089 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Oc2ccc(Br)cc2Br)ccc(Br)c1Br ZINC000587901099 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2ccc(Br)cc2Br)c(Br)cc1Br ZINC000587901101 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2ccc(Br)cc2Br)cc1Br ZINC000587901126 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Oc2cc(Br)c(Br)cc2Br)c1Br ZINC000587901163 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1ccc(Br)c(Br)c1Br ZINC000587901168 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c(Oc2cc(Br)c(Br)c(Br)c2Br)c1Br ZINC000587901173 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2c(Br)cc(Br)cc2Br)cc1Br ZINC000587901174 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1Oc1cc(Br)c(Br)cc1Br ZINC000587901183 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(Br)c1O ZINC000587901184 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc(Br)c1O ZINC000587901190 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c(O)c(Br)c(Br)c1Br ZINC000587901193 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Br)cc1Oc1ccc(Br)cc1Br ZINC000587901314 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)ccc1Oc1ccc(Br)c(Br)c1 ZINC000587901376 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2c(Br)cccc2Br)cc1Br ZINC000587901418 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(Br)cc2Br)cc1Br ZINC000587901484 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2ccc(Br)c(Br)c2)cc1Br ZINC000587901528 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Cl)ccc1O[C@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 ZINC000587901559 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1Oc1ccc(Br)c(Br)c1 ZINC000587901565 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(Oc2ccc(Br)c(Br)c2)c(Br)c1 ZINC000587901597 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2ccc(Br)cc2Br)ccc1Br ZINC000587901628 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2ccc(Br)c(Br)c2)ccc1Br ZINC000587901644 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2c(Br)cccc2Br)ccc1Br ZINC000587901670 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Oc2c(Br)cc(Br)cc2Br)ccc1Br ZINC000587901712 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Oc2c(Br)cc(Br)cc2Br)cc1Br ZINC000587901798 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(Br)c1Oc1ccc(Br)c(Br)c1 ZINC000587901891 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)c([C@@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 ZINC000587902164 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 ZINC000587902165 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(Cl)c1 ZINC000587902395 KK Annotated Mild COC(=O)c1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C#Cc2cc(Cl)ccc2OC)c1 ZINC000587903448 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 ZINC000587904364 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587904743 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000587904827 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(=O)COC(=O)c2cc(C3CC3)nc3onc(C)c23)cc1 ZINC000587904876 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000587905649 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C2(c3ccc(Br)cc3)c3ccccc3-c3ccccc32)cc1 ZINC000587905665 KK Annotated Mild CCOC(=O)C1(Cc2ccc(C#Cc3cc(Cl)ccc3OC)cc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000587905713 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C[C@@H]2C[C@@H](C(=O)OCc3ccccc3)N(C(=O)OC(C)(C)C)C2=O)cc1 ZINC000587905733 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C[C@@H]2C[C@@H](C(=O)O)N(C(=O)OCC3c4ccccc4-c4ccccc43)C2)cc1 ZINC000587906102 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@@H]([C@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587906331 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@H]([C@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587906332 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@@H]([C@@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587906333 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@@H]3Cc4ccccc4[C@H]([C@@H]4C(=O)Oc5ccccc5C4=O)C3)cc2)cc1 ZINC000587906334 KK Annotated Mild COC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)c1C ZINC000587906345 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1 ZINC000587906352 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@H](O)C[C@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587906426 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@H](O)C[C@@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587906427 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@H](O)C[C@@H](c3ccccc3)[C@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587906428 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc([C@H](O)C[C@H](c3ccccc3)[C@@H]3C(=O)Oc4ccccc4C3=O)cc2)cc1 ZINC000587906429 KK Annotated Mild COC(=O)c1cc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)n(-c2cccc(Cl)c2C)c1C ZINC000587906564 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1 ZINC000587906592 KK Annotated Mild COC(=O)c1cc(-c2ccc(C#Cc3cc(Cl)ccc3OC)cc2)n(-c2ccc(Br)cc2)c1C ZINC000587906840 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(Br)cc4)cc3)cc2)cc1 ZINC000587906895 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c1cc(Br)ccc1n2-c1ccc(Br)cc1 ZINC000587906898 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccc4ccccc4c3)c2c1 ZINC000587906982 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2cc(O[C@H]3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)ccc2c1 ZINC000587907022 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Br)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000587907036 KK Annotated Mild COCOc1ccc2cc(Br)ccc2c1-c1c(OCOC)ccc2cc(C#Cc3cc(Cl)ccc3OC)ccc12 ZINC000587907154 KK Annotated Mild CNc1c(C#Cc2cc(Cl)ccc2OC)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000587907282 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2ccccc2c(-c2c(O)c(Br)cc3ccccc23)c1O ZINC000587907587 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cncc(C(=O)OC[C@H]2CN(C)[C@@H]3Cc4cn(C)c5cccc(c45)[C@@]3(OC)C2)c1 ZINC000587907609 KK Annotated Mild CCCCCCCCC(CCCCCCCC)n1c2cc(Br)ccc2c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587907695 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C/C=C3/Nc4ccccc4C(=O)N3c3cccc(OC(C)C)c3)c2c1 ZINC000587907741 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2[nH]cc(C/C=C3\Nc4ccccc4C(=O)N3c3cccc(OC(C)C)c3)c2c1 ZINC000587907747 KK Annotated Mild CCCCCCCCn1c2cc(Br)ccc2c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587907771 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c3cc(Br)c(Br)cc3c3cc(Br)c(Br)cc3c2cc1Br ZINC000587907777 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(-c3c(O)c(Br)cc4c3CCCC4)c1O)CCCC2 ZINC000587907828 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(-c3ccc4ccccc4c3)c3cc(Br)ccc3c(-c3ccc4ccccc4c3)c2c1 ZINC000587907925 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(-c3c(O)ccc4cc(Br)ccc34)c(O)ccc2c1 ZINC000587907935 KK Annotated Mild CCCC[C@H](CC)Cn1c2cc(Br)ccc2c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587907960 KK Annotated Mild CCCC[C@@H](CC)Cn1c2cc(Br)ccc2c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587907961 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(cc1Br)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000587908322 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2ccccc2c(-c2c(OC)c(Br)cc3ccccc23)c1OC ZINC000587908351 KK Annotated Mild CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587908590 KK Annotated Mild CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587908591 KK Annotated Mild CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587908615 KK Annotated Mild CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(C#Cc2cc(Cl)ccc2OC)cc1C3(CCCCCCCC)CCCCCCCC ZINC000587908654 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(OC)c([C@@H](c3ccccc3)[C@@](O)(CCN(C)C)c3cccc4ccccc34)cc2c1 ZINC000587908773 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(C(OC)OC)c1 ZINC000587908812 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(C(OC)OC)c1 ZINC000587908813 KK Annotated Mild CCCC[C@H](CC)Cn1c2ccc(Br)cc2c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587908887 KK Annotated Mild CCCC[C@@H](CC)Cn1c2ccc(Br)cc2c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587908888 KK Annotated Mild CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587909053 KK Annotated Mild CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587909056 KK Annotated Mild CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587909058 KK Annotated Mild CCCCCCCCn1c2ccc(Br)cc2c2cc(C#Cc3cc(Cl)ccc3OC)ccc21 ZINC000587909077 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(Br)ccc1-2 ZINC000587909098 KK Annotated Mild CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2ccc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587909132 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@@H](O)CN(C)C ZINC000587909567 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2c(c1)c1cc(Br)ccc1n2C[C@H](O)CN(C)C ZINC000587909570 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587909837 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587909839 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)cc2c1Oc1c(Br)cc(C(C)(C)C)cc1C2(C)C ZINC000587909938 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC(C)=O)c(Br)cc2c1Oc1c(cc(Br)c(OC(C)=O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587909951 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(OC(C)=O)c(Br)cc2c1Oc1c(cc(Br)c(OC(C)=O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587909956 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c([N+](=O)[O-])cc2c(-c3ccccc3C(=O)O)c3cc([N+](=O)[O-])c(=O)c(Br)c-3oc12 ZINC000587910012 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587910081 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1O)Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587910082 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587910149 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2cc(N3C(=O)C=CC3=O)ccc21 ZINC000587910150 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c2ccccc2c(-c2c3ccccc3c(Br)c3ccccc23)c2ccccc12 ZINC000587910187 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c2oc3c(Br)c(O)c([N+](=O)[O-])cc3c(-c3ccccc3C(=O)O)c-2cc([N+](=O)[O-])c1=O ZINC000587910247 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1OC(C)=O)Oc1c(cc(Br)c(OC(C)=O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587910292 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(Br)c1OC(C)=O)Oc1c(cc(Br)c(OC(C)=O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587910293 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587910301 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc2c1Oc1c(cc(Br)c(O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587910302 KK Annotated Mild COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cnc(C#Cc2cc(Cl)ccc2OC)c(NC(=O)C(C)(C)C)c1 ZINC000587910778 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c3ccccc13)NC(=O)C[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000587910941 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c3ccccc13)NC(=O)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000587910942 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(=O)c(C#Cc3cc(Cl)ccc3OC)c-2oc2c(Br)c(O)ccc12 ZINC000587910973 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587911105 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)ccc2c1Oc1c(ccc(O)c1Br)[C@]21OC(=O)c2ccccc21 ZINC000587911231 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)ccc2c1Oc1c(ccc(O)c1Br)[C@@]21OC(=O)c2ccccc21 ZINC000587911234 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2ccc3c(Br)cc(Br)c4ccc1c2c34 ZINC000587911262 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c2[nH]cnc12 ZINC000587911328 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br ZINC000587911358 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c2cc(Br)cnc2c2ncc(Br)cc12 ZINC000587911362 KK Annotated Mild COc1ccc2cc([C@H](C)C(=O)Oc3ccc4c(C#Cc5cc(Cl)ccc5OC)cccc4c3)ccc2c1 ZINC000587911384 KK Annotated Mild COc1ccc2cc([C@@H](C)C(=O)Oc3ccc4c(C#Cc5cc(Cl)ccc5OC)cccc4c3)ccc2c1 ZINC000587911385 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c2nc(O)c(-c3ccccc3)c3c2c1C(=O)c1ccccc1-3 ZINC000587911388 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc2c1[nH]c1c(Br)cc(Br)cc12 ZINC000587911494 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c2[nH]cnc2c1Br ZINC000587911527 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c2[nH]nnc2c1Br ZINC000587911546 KK Annotated Mild CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1-c1c2ccc(=O)c(Br)c-2oc2c(C#Cc3cc(Cl)ccc3OC)c(O)ccc12 ZINC000587911581 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)n1 ZINC000587911590 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)c(Br)c(Br)c1cc(Br)cnc12 ZINC000587911600 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2ccc3cc(C(C)(C)C)cc4ccc1c2c34 ZINC000587911662 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c2[nH]c3c(Br)cc(Br)cc3c2c1 ZINC000587911709 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c2[nH]nnc12 ZINC000587911717 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(Br)n1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587911783 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000587911812 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c2ccc([nH]2)c(-c2ccccc2)c2ccc([nH]2)c(Br)c2ccc([nH]2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000587911850 KK Annotated Mild CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(C#Cc5cc(Cl)ccc5OC)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(Br)cc(c1=O)c2c37)c4c65 ZINC000587911898 KK Annotated Mild CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(C#Cc5cc(Cl)ccc5OC)cc5c(=O)n(C[C@@H](CC)CCCC)c(=O)c6ccc(c7c(Br)cc(c1=O)c2c37)c4c65 ZINC000587911899 KK Annotated Mild CCCC[C@@H](CC)Cn1c(=O)c2ccc3c4c(C#Cc5cc(Cl)ccc5OC)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(Br)cc(c1=O)c2c37)c4c65 ZINC000587911900 KK Annotated Mild CCCC[C@H](CC)Cn1c(=O)c2ccc3c4c(Br)cc5c(=O)n(C[C@H](CC)CCCC)c(=O)c6ccc(c7c(C#Cc8cc(Cl)ccc8OC)cc(c1=O)c2c37)c4c65 ZINC000587911901 KK Annotated Mild COc1ccc(Cl)cc1C#C/C=C/C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587912235 KK Annotated Mild COc1ccc(Cl)cc1C#CC1=C(Br)C(=O)N(C(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O ZINC000587912391 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1[nH]c2ccccc2c1C[C@@H]1C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@@H](C)C[C@@H](C)C=C(C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N1C ZINC000587912557 KK Annotated Mild COc1ccc(Cl)cc1C#C/C=C(\Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000587912666 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s2)s1 ZINC000587913024 KK Annotated Mild CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C#Cc2cc(Cl)ccc2OC)nn1-c1ncccc1Cl ZINC000587913361 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1N(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F ZINC000587913690 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C(F)(F)F)c(N=NNc2cc(Br)ccc2C(F)(F)F)c1 ZINC000587913703 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(N(C)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2C(F)(F)F)c(Br)c1 ZINC000587914059 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(SC(F)(F)F)c(Br)c1 ZINC000587914391 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000587914495 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)cc(Br)c1NC(=O)c1sc(C)nc1C(F)(F)F ZINC000587914837 KK Annotated Mild COC(=O)c1cc([N+](=O)[O-])c(F)c(F)c1Nc1ccc(C#Cc2cc(Cl)ccc2OC)cc1Cl ZINC000587915488 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)cc(C(=O)O)c2c1 ZINC000587915520 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)cc(Br)c1SC(F)(F)F ZINC000587915572 KK Annotated Mild COC(=O)c1cc(-c2ccc(C)c(C)c2)n(-c2ccc(F)cc2C#Cc2cc(Cl)ccc2OC)c1C ZINC000587916368 KK Annotated Mild CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C#Cc4cc(Cl)ccc4OC)cc23)c1F ZINC000587916799 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C ZINC000587916850 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)c(Cl)c2oc(C(C)(C)C)nc12 ZINC000587917101 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc2c(c1)c(I)cn2C(=O)OC(C)(C)C ZINC000587917167 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccnc2c1cc(I)n2S(=O)(=O)c1ccc(C)cc1 ZINC000587917212 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(OC(F)(F)F)cc(Br)c1I ZINC000587917213 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c([N+](=O)[O-])c(Br)c1I ZINC000587917226 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1sc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2c1F ZINC000587917228 KK Annotated Mild CCCC[C@H](CC)C(=O)c1sc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2c1F ZINC000587917231 KK Annotated Mild CCCCCCCCOC(=O)c1sc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2c1F ZINC000587917277 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(I)c(Br)cc(C)c1[N+](=O)[O-] ZINC000587917329 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(I)sc(C)c1I ZINC000587917353 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(I)cn(S(=O)(=O)c3ccccc3)c2c(Cl)n1 ZINC000587917427 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)cc(I)c1OCc1ccccc1 ZINC000587917464 KK Annotated Mild CCCCCCCC(=O)c1sc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2c1F ZINC000587917605 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(I)c1 ZINC000587917733 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cnc(OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(I)c1 ZINC000587917734 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(I)c(C)cc(Br)c1[N+](=O)[O-] ZINC000587917746 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(I)cn(C(=O)OC(C)(C)C)c2c(Cl)n1 ZINC000587917786 KK Annotated Mild CCCCCCCCOC(=O)c1sc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2c1F ZINC000587917833 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C(C)(C)C)cc(Br)c1I ZINC000587917850 KK Annotated Mild CCCCCCCC(=O)c1sc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2c1F ZINC000587917871 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1nc(I)c(C(OC)OC)c2oc(C(C)(C)C)nc12 ZINC000587917896 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1sc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2c1F ZINC000587917925 KK Annotated Mild CCCC[C@@H](CC)COC(=O)c1sc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2c1F ZINC000587917928 KK Annotated Mild CCCC[C@H](CC)COC(=O)c1sc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2c1F ZINC000587917961 KK Annotated Mild CCCC[C@@H](CC)COC(=O)c1sc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2c1F ZINC000587917962 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(I)c(Br)cc1I ZINC000587917971 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1sc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2c1F ZINC000587917977 KK Annotated Mild CCCC[C@H](CC)C(=O)c1sc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2c1F ZINC000587917979 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(C)c(I)c(Br)c1[N+](=O)[O-] ZINC000587917998 KK Annotated Mild COc1cccc(C2=C[C@@H](c3ccc(C#Cc4cc(Cl)ccc4OC)cc3)N(c3ccc(S(N)(=O)=O)cc3)N2)c1 ZINC000587918314 KK Annotated Mild COc1cccc(C2=C[C@H](c3ccc(C#Cc4cc(Cl)ccc4OC)cc3)N(c3ccc(S(N)(=O)=O)cc3)N2)c1 ZINC000587918315 KK Annotated Mild COc1ccc(Cl)cc1C#CCc1cc(OCCCS(=O)(=O)Cl)c(CBr)cc1OC ZINC000587918491 KK Annotated Unstable COc1ccc(Cl)cc1C#CCc1cc(OC)c(CBr)cc1OCCCS(=O)(=O)Cl ZINC000587918588 KK Annotated Unstable COc1ccc(Cl)cc1C#Cc1cc2c(c(O)c1O)Oc1c(cc(Br)c(O)c1O)[C@]21OS(=O)(=O)c2ccccc21 ZINC000587918626 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(c(O)c1O)Oc1c(cc(Br)c(O)c1O)[C@@]21OS(=O)(=O)c2ccccc21 ZINC000587918627 KK Annotated Mild COC(=O)c1scc(C#Cc2cc(Cl)ccc2OC)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000587918628 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@]2(c3cc(Cl)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Cl)c1O ZINC000587918634 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@]2(c3cc(Cl)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Cl)c1O ZINC000587918635 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc12 ZINC000587918683 KK Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c2c1C(c1ccc(O)cc1)(c1ccc(O)cc1)OS2(=O)=O ZINC000587918717 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c2c(c1Br)C(c1ccc(O)cc1)(c1ccc(O)cc1)OS2(=O)=O ZINC000587918729 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c(Br)c2c1S(=O)(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000587918765 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@]2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(C)c1O ZINC000587918785 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@]2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(C)c1O ZINC000587918786 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cccc(/C=C2/NC(=S)N(C(=O)c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000587918799 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)c(-c2sc(Br)cc2Br)s1 ZINC000587918837 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c([C@@]2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c1O ZINC000587918879 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c([C@]2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c1O ZINC000587918880 KK Annotated Mild CCCCCCCCCCCCCCc1cc(-c2cc(CCCCCCCCCCCCCC)c(C#Cc3cc(Cl)ccc3OC)s2)sc1Br ZINC000587918962 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc2c(Br)c1O ZINC000587919022 KK Annotated Reactive CCCCCCc1cc(Br)sc1-c1sc(C#Cc2cc(Cl)ccc2OC)cc1CCCCCC ZINC000587919043 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@]2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(C)c(Br)c1O ZINC000587919051 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@]2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)c(C)c(Br)c1O ZINC000587919052 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c([C@]2(c3cc(C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C)c1O ZINC000587919063 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c([C@@]2(c3cc(C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C)c1O ZINC000587919064 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc(Br)sc1-c1sc(Br)cc1Br ZINC000587919082 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(Br)c(Br)c2c(c1Br)S(=O)(=O)OC2(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000587919113 KK Annotated Mild CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(C#Cc3cc(Cl)ccc3OC)c(O)cc12 ZINC000587919151 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1-c1nnc(S)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000587919180 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3oc-2c(Br)c1=O ZINC000587919193 KK Annotated Reactive COc1ccc(Cl)cc1C#Cc1c(C)c([C@@]2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587919203 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c(C)c([C@]2(c3cc(Br)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587919205 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1c2oc3c(Br)c(O)c(Br)cc3c(-c3ccc(N=C=S)cc3C(=O)O)c-2cc(Br)c1=O ZINC000587919222 KK Annotated Reactive CCCCCCCCCCCCc1cc(-c2ccc(-c3cc(CCCCCCCCCCCC)c(C#Cc4cc(Cl)ccc4OC)s3)c3nsnc23)sc1Br ZINC000587919301 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@]2(c3cc(Br)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587919323 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1cc([C@@]2(c3cc(Br)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O ZINC000587919324 KK Annotated Mild CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(C#Cc3cc(Cl)ccc3OC)c(O)c(CN(C)C)c12 ZINC000587919539 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(Sc2c(C=O)c(CSc3ccc(C)cc3)nn2C)cc1 ZINC000587919793 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2Cl)s1 ZINC000587919803 KK Annotated Mild NC(=S)c1ccc(N(Cc2ccccc2C(N)=S)Cc2ccccc2-c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587920060 KK Annotated Anodyne NC(=S)c1ccccc1CN(Cc1ccccc1C(N)=S)c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000587920070 KK Annotated Clean CCCC[C@H](CC)C(=O)c1cc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2s1 ZINC000587920196 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1cc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2s1 ZINC000587920197 KK Annotated Mild CCCCCCCCN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(CCCCCCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587920223 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@@H](c2ccccc2O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000587920236 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc([C@H](c2ccccc2O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000587920237 KK Annotated Mild COC(=O)c1sc(NC(=O)c2ccc(Br)s2)c(C(=O)OC)c1CC#Cc1cc(Cl)ccc1OC ZINC000587920319 KK Annotated Mild CCCC[C@H](CC)C(=O)c1cc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2s1 ZINC000587920513 KK Annotated Mild CCCC[C@@H](CC)C(=O)c1cc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2s1 ZINC000587920514 KK Annotated Mild CCCCCCCCCCc1cc(-c2cccs2)sc1-c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587920524 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(OCc2ccccc2Br)c(/C=C2/SC(=S)NC2=O)c1 ZINC000587920540 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccccc1COc1ccc(Br)cc1/C=C1/SC(=S)NC1=O ZINC000587920564 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(-c3ccc(Br)s3)c3nsnc23)s1 ZINC000587920592 KK Annotated Mild CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000587920619 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000587920620 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1cccs1 ZINC000587920621 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3cccs3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587920622 KK Annotated Mild CCCC[C@H](CC)COc1c2cc(C#Cc3cc(Cl)ccc3OC)sc2c(OC[C@H](CC)CCCC)c2cc(Br)sc12 ZINC000587920632 KK Annotated Mild CCCC[C@@H](CC)CC1(C[C@H](CC)CCCC)c2cc(Br)sc2-c2sc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587920633 KK Annotated Mild CCCC[C@@H](CC)COc1c2cc(C#Cc3cc(Cl)ccc3OC)sc2c(OC[C@H](CC)CCCC)c2cc(Br)sc12 ZINC000587920634 KK Annotated Mild CCCC[C@H](CC)COc1c2cc(Br)sc2c(OC[C@H](CC)CCCC)c2cc(C#Cc3cc(Cl)ccc3OC)sc12 ZINC000587920635 KK Annotated Mild CCCC[C@H](CC)COc1c2cc(C#Cc3cc(Cl)ccc3OC)sc2c(OC[C@@H](CC)CCCC)c2cc(Br)sc12 ZINC000587920636 KK Annotated Mild CCCC[C@H](CC)C[C@@]1(C[C@H](CC)CCCC)c2cc(Br)sc2-c2sc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587920638 KK Annotated Mild CCCC[C@H](CC)CC1(C[C@@H](CC)CCCC)c2cc(Br)sc2-c2sc(C#Cc3cc(Cl)ccc3OC)cc21 ZINC000587920639 KK Annotated Mild CCCCCCCCN1C(=O)c2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2C1=O ZINC000587920660 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)s1 ZINC000587920724 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)s1 ZINC000587920730 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(SCc2nc(Cl)c3c4c(sc3n2)CCCC4)cc1 ZINC000587920753 KK Annotated Mild CCCCCCCC[C@H](CCCCCC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@H](CCCCCC)CCCCCCCC)C(=O)C2=C1c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587920755 KK Annotated Mild CCCCCCCC[C@H](CCCCCC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@@H](CCCCCC)CCCCCCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587920762 KK Annotated Mild Cc1ccc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)cc1C ZINC000587920764 KK Annotated Anodyne CCCCCCCC[C@H](CCCCCC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@H](CCCCCC)CCCCCCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587920765 KK Annotated Mild CCCCCCCC[C@@H](CCCCCC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@H](CCCCCC)CCCCCCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587920768 KK Annotated Mild COC(=O)c1sc(NC(=O)c2ccc(C#Cc3cc(Cl)ccc3OC)s2)c(C(=O)OC)c1CBr ZINC000587920964 KK Annotated Reactive Cc1ccc(-c2csc(-c3ccc(N(Cc4ccccc4C(N)=S)Cc4ccccc4C(N)=S)cc3)n2)cc1C ZINC000587921022 KK Annotated Clean COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)c(-c4ccco4)c3c2N)cc1 ZINC000587921046 KK Annotated Mild CCCCCCCC(=O)c1cc2c(C#Cc3cc(Cl)ccc3OC)sc(Br)c2s1 ZINC000587921092 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(-c3cccc(-c4nc(-c5ccc(Br)cc5)cs4)c3)n2)cc1 ZINC000587921113 KK Annotated Mild CCCCCCCC(=O)c1cc2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2s1 ZINC000587921127 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)c2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2C1=O ZINC000587921197 KK Annotated Mild CCCC[C@@H](CC)CN1C(=O)c2c(Br)sc(C#Cc3cc(Cl)ccc3OC)c2C1=O ZINC000587921198 KK Annotated Mild CCCC[C@@H](CC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587921203 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587921204 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(Br)s3)N(C[C@H](CC)CCCC)C(=O)C2=C1c1ccc(C#Cc2cc(Cl)ccc2OC)s1 ZINC000587921205 KK Annotated Mild CCCC[C@H](CC)CN1C(=O)C2=C(c3ccc(C#Cc4cc(Cl)ccc4OC)s3)N(C[C@@H](CC)CCCC)C(=O)C2=C1c1ccc(Br)s1 ZINC000587921206 KK Annotated Mild COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)CCl)n2)cc1 ZINC000587921219 KK Annotated Reactive COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)CCl)n2)cc1 ZINC000587921220 KK Annotated Reactive CCCCCCCCOc1c2cc(C#Cc3cc(Cl)ccc3OC)sc2c(OCCCCCCCC)c2cc(Br)sc12 ZINC000587921459 KK Annotated Mild N#Cc1ccc(-c2csc(-c3ccc(N(Cc4ccccc4C(N)=S)Cc4ccccc4C(N)=S)cc3)n2)cc1 ZINC000587921673 KK Annotated Mild N#Cc1ccc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)cc1 ZINC000587921756 KK Annotated Mild COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587921865 KK Annotated Clean COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587921866 KK Annotated Clean Cc1cc(-c2csc([C@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)c(C)n1-c1ccccc1F ZINC000587921983 KK Annotated Clean Cc1cc(-c2csc([C@@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)c(C)n1-c1ccccc1F ZINC000587921986 KK Annotated Clean Cc1cc(-c2csc(-c3ccc(N(Cc4ccccc4C(N)=S)Cc4ccccc4C(N)=S)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922087 KK Annotated Clean NC(=S)c1ccccc1CN(Cc1ccccc1C(N)=S)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587922106 KK Annotated Clean NC(=S)c1ccccc1CN(Cc1ccccc1C(N)=S)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587922133 KK Annotated Clean Cc1cc(-c2csc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)n2)c(C)n1-c1ccccc1F ZINC000587922281 KK Annotated Clean CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 ZINC000587922300 KK Annotated Anodyne CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 ZINC000587922301 KK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)cc1)S(C)(=O)=O ZINC000587922360 KK Annotated Anodyne NC(=S)c1ccc(N(Cc2ccccc2C(N)=S)Cc2ccccc2-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000587922404 KK Annotated Anodyne O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)C1 ZINC000587922534 KK Annotated Anodyne O=C(OCc1ccccc1)N1CCC[C@H](c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)C1 ZINC000587922540 KK Annotated Anodyne NC(=S)c1ccc(N(Cc2ccccc2C(N)=S)Cc2ccccc2-c2nc(-c3cc(F)ccc3F)cs2)cc1 ZINC000587922542 KK Annotated Anodyne C[C@@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587922550 KK Annotated Anodyne C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)c1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 ZINC000587922552 KK Annotated Anodyne Cc1cc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922601 KK Annotated Clean Cc1cc(-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)c(C)n1-c1ccccc1F ZINC000587922604 KK Annotated Clean CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc(C(C)(C)C)c1O ZINC000587922626 KK Annotated Reactive CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc(C(C)(C)C)c1O ZINC000587922627 KK Annotated Reactive CCN(c1ccc(-c2csc([C@H](Cc3ccc(OC)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587922686 KK Annotated Anodyne CCN(c1ccc(-c2csc([C@@H](Cc3ccc(OC)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587922687 KK Annotated Anodyne Cc1cc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c(C)n1-c1ccccc1F ZINC000587922715 KK Annotated Reactive Cc1cc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c(C)n1-c1ccccc1F ZINC000587922718 KK Annotated Reactive Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587922814 KK Annotated Clean Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1 ZINC000587922816 KK Annotated Clean Cc1cc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)c(C)n1-c1ccccc1F ZINC000587922831 KK Annotated Clean Cc1cc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)c(C)n1-c1ccccc1F ZINC000587922836 KK Annotated Clean Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587922862 KK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587922865 KK Annotated Anodyne NC(=S)c1ccc(N(Cc2ccccc2C(N)=S)Cc2ccccc2-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000587922876 KK Annotated Anodyne NC(=S)c1ccccc1CN(Cc1ccccc1C(N)=S)c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 ZINC000587922921 KK Annotated Clean CCN(c1ccc(-c2csc(-c3ccccc3CN3C(=O)c4ccccc4C3=O)n2)cc1)S(C)(=O)=O ZINC000587922951 KK Annotated Anodyne NC(=S)c1ccc(N(Cc2ccccc2C(N)=S)Cc2ccccc2-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 ZINC000587923022 KK Annotated Anodyne CN(C)c1cccc(Oc2ccc(-c3nc(-c4c(-c5ccc(F)cc5)[nH]c5ccccc45)cs3)cc2)c1 ZINC000587923027 KK Annotated Anodyne CCN(c1ccc(-c2csc([C@@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923050 KK Annotated Anodyne CCN(c1ccc(-c2csc([C@H](Cc3ccc(N(C)C)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923055 KK Annotated Anodyne CCN(c1ccc(-c2csc(-c3ccc(N(Cc4ccccc4C(N)=S)Cc4ccccc4C(N)=S)cc3)n2)cc1)S(C)(=O)=O ZINC000587923060 KK Annotated Clean CCN(c1ccc(-c2csc(-c3cccnc3Nc3ccc(C(C)(C)C)cc3)n2)cc1)S(C)(=O)=O ZINC000587923066 KK Annotated Anodyne NC(=S)c1ccccc1CN(Cc1ccccc1C(N)=S)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000587923109 KK Annotated Clean CC[C@@H](C(=O)Nc1cccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1)c1ccccc1 ZINC000587923253 KK Annotated Anodyne CC[C@H](C(=O)Nc1cccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)c1)c1ccccc1 ZINC000587923254 KK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(-c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)n2)cc1 ZINC000587923255 KK Annotated Anodyne Fc1ccc(-c2[nH]c3ccccc3c2-c2csc(COc3ccc(C4SCCS4)cc3)n2)cc1 ZINC000587923459 KK Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@@H](c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)C1 ZINC000587923493 KK Annotated Anodyne O=C(OCc1ccccc1)N1CCO[C@H](c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)C1 ZINC000587923494 KK Annotated Anodyne CC[C@@H](C(=O)Nc1cccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)c1)c1ccccc1 ZINC000587923533 KK Annotated Anodyne CC[C@H](C(=O)Nc1cccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)c1)c1ccccc1 ZINC000587923534 KK Annotated Anodyne CCN(c1ccc(-c2csc([C@H](Cc3ccc(C)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923578 KK Annotated Anodyne CCN(c1ccc(-c2csc([C@@H](Cc3ccc(C)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923579 KK Annotated Anodyne CCN(c1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O ZINC000587923644 KK Annotated Reactive CCN(c1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O ZINC000587923646 KK Annotated Reactive CCN(c1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923648 KK Annotated Anodyne CCN(c1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923650 KK Annotated Anodyne CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc(C(C)(C)C)c1O ZINC000587923660 KK Annotated Reactive CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc(C(C)(C)C)c1O ZINC000587923661 KK Annotated Reactive CN(c1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923666 KK Annotated Anodyne CN(c1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1)S(C)(=O)=O ZINC000587923667 KK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccc(N(Cc4ccccc4C(N)=S)Cc4ccccc4C(N)=S)cc3)n2)cc1)S(C)(=O)=O ZINC000587923696 KK Annotated Clean COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923700 KK Annotated Anodyne COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923701 KK Annotated Anodyne COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587923734 KK Annotated Anodyne COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587923735 KK Annotated Anodyne Cc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923758 KK Annotated Anodyne Cc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587923759 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc([C@@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587923800 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(-c2csc([C@H](Cc3ccc(Cl)cc3)c3nc4ccccc4[nH]3)n2)cc1 ZINC000587923801 KK Annotated Anodyne CN(c1ccc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)cc1)S(C)(=O)=O ZINC000587923832 KK Annotated Anodyne CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587923973 KK Annotated Anodyne CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 ZINC000587923974 KK Annotated Anodyne CN(c1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O ZINC000587923985 KK Annotated Reactive CN(c1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O ZINC000587923986 KK Annotated Reactive CN(C)c1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587924011 KK Annotated Anodyne CN(C)c1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1 ZINC000587924012 KK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc([C@H](Cc4ccc(N(C)C)cc4)c4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924048 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](Cc4ccc(N(C)C)cc4)c4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924049 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(CNC(=O)OC(C)(C)C)c4)n3)c2C)c1 ZINC000587924058 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N(Cc5ccccc5C(N)=S)Cc5ccccc5C(N)=S)cc4)n3)c2C)c1 ZINC000587924075 KK Annotated Clean CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(N(Cc4ccccc4C(N)=S)Cc4ccccc4C(N)=S)cc3)n2)cc1 ZINC000587924088 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(NC(=O)CN5CCOCC5)c4)n3)c2C)c1 ZINC000587924113 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(NC(=O)OC(C)(C)C)cc4)n3)c2C)c1 ZINC000587924148 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Oc5ccc(C(F)(F)F)cn5)cc4)n3)c2C)c1 ZINC000587924152 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(-c5nc6cc(C)ccc6[nH]5)cc4)n3)c2C)c1 ZINC000587924156 KK Annotated Clean CS(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)cc1 ZINC000587924175 KK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(NC(=O)CC5CCCC5)cc4)n3)c2C)c1 ZINC000587924196 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](Cc4ccc(C)cc4)c4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924207 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](Cc4ccc(C)cc4)c4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924208 KK Annotated Clean CCCCc1ccc(-c2ccc(-c3nc(-c4cc(C)n(-c5cccc(SC)c5)c4C)cs3)cc2)cc1 ZINC000587924215 KK Annotated Clean CC[C@@H](C(=O)Nc1cccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1)c1ccccc1 ZINC000587924218 KK Annotated Clean CC[C@H](C(=O)Nc1cccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1)c1ccccc1 ZINC000587924219 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(I)cc4)n3)c2C)c1 ZINC000587924252 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)n3)c2C)c1 ZINC000587924255 KK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C\c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)n3)c2C)c1 ZINC000587924256 KK Annotated Reactive CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(S(=O)(=O)NC5CCCCCCC5)c4)n3)c2C)c1 ZINC000587924259 KK Annotated Clean COc1ccc(CCNC(=O)Cc2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OC ZINC000587924284 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccnc4Nc4ccc(C(C)(C)C)cc4)n3)c2C)c1 ZINC000587924307 KK Annotated Clean COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924333 KK Annotated Clean COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 ZINC000587924334 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4CN4C(=O)c5ccccc5C4=O)n3)c2C)c1 ZINC000587924388 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4I)n3)c2C)c1 ZINC000587924431 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4CN(Cc4ccccc4C(N)=S)c4ccc(C(N)=S)cc4)n3)c2C)c1 ZINC000587924437 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Oc5cccc(N(C)C)c5)cc4)n3)c2C)c1 ZINC000587924441 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(I)c4)n3)c2C)c1 ZINC000587924443 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](Cc4ccc(Cl)cc4)c4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924465 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](Cc4ccc(Cl)cc4)c4nc5ccccc5[nH]4)n3)c2C)c1 ZINC000587924466 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)n3)c2C)c1 ZINC000587924468 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4nc(C(F)(F)F)cc4C4CC4)n3)c2C)c1 ZINC000587924469 KK Annotated Clean COC(=O)c1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(O[C@H]2CCOC2)c1 ZINC000587924531 KK Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(O[C@@H]2CCOC2)c1 ZINC000587924532 KK Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(O[C@H]2CCOC2)c1 ZINC000587924533 KK Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(O[C@@H]2CCOC2)c1 ZINC000587924534 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587924547 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924548 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587924549 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924550 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924611 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924612 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587924613 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924614 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587924615 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924616 KK Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2O[C@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(O[C@@H]2CCOC2)c1 ZINC000587924622 KK Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2O[C@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(O[C@H]2CCOC2)c1 ZINC000587924623 KK Annotated Anodyne CSc1ccc(-c2csc(-c3ccccc3CN(Cc3ccccc3C(N)=S)c3ccc(C(N)=S)cc3)n2)cc1 ZINC000587924628 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCc4ccc(OC)c(OC)c4)[nH]c3cc21 ZINC000587924691 KK Annotated Clean COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1OC ZINC000587924720 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587924813 KK Annotated Clean CCCCC1(COc2ccc(O)n2-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587924814 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587924861 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587924862 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587924863 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587924864 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587924865 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587924866 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587924895 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587924903 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587924921 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587924924 KK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)ccc3O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)c2)c1 ZINC000587924934 KK Annotated Anodyne COc1cccc(-c2cccc(-n3c(O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)ccc3O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c2)c1 ZINC000587924940 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587924980 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587924983 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587925000 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(C)cc4OC)[nH]c3cc21 ZINC000587925038 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587925050 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587925053 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587925054 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587925055 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587925088 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1 ZINC000587925089 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587925090 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 ZINC000587925091 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O ZINC000587925106 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O ZINC000587925107 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O ZINC000587925109 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O ZINC000587925110 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O ZINC000587925111 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O ZINC000587925112 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O ZINC000587925177 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1O ZINC000587925180 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O ZINC000587925181 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1O ZINC000587925182 KK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(NC(=O)c5cccs5)cc4)n3)c2C)c1 ZINC000587925262 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(C5SCCS5)cc4)n3)c2C)c1 ZINC000587925278 KK Annotated Clean COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587925335 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587925338 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587925340 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587925342 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587925343 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587925346 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587925353 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587925359 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587925406 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587925408 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587925415 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587925422 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587925423 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587925424 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587925426 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587925429 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587925430 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587925431 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587925434 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587925435 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587925443 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587925446 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587925447 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587925448 KK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587925498 KK Annotated Bother CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587925500 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587925566 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587925576 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587925612 KK Annotated Anodyne CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CCCN(C(=O)OCc5ccccc5)C4)n3)c2C)c1 ZINC000587925613 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CCCN(C(=O)OCc5ccccc5)C4)n3)c2C)c1 ZINC000587925621 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)Cc4ccc(OC)c(OC)c4)[nH]c3cc21 ZINC000587925634 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Cc4ccc(OC)c(OC)c4)[nH]c3cc21 ZINC000587925636 KK Annotated Clean COc1cc(C2(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CC2)ccc1C ZINC000587925647 KK Annotated Anodyne COc1cc(C2(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CC2)ccc1C ZINC000587925712 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCc3ccc(OC)c(OC)c3)[nH]c21 ZINC000587925778 KK Annotated Clean COc1ccc(CCCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000587925830 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cc1Br ZINC000587925833 KK Annotated Mild CSc1cccc(-n2c(C)cc(-c3csc([C@H]4CN(C(=O)OCc5ccccc5)CCO4)n3)c2C)c1 ZINC000587925891 KK Annotated Clean CSc1cccc(-n2c(C)cc(-c3csc([C@@H]4CN(C(=O)OCc5ccccc5)CCO4)n3)c2C)c1 ZINC000587925902 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c(O)c2)cc1OC ZINC000587925964 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4c(OC)ccc(OC)c4OC)[nH]c3cc21 ZINC000587926010 KK Annotated Clean CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926024 KK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1OC ZINC000587926126 KK Annotated Bother COc1ccc(C[C@@H](C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1OC ZINC000587926127 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587926178 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587926180 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587926182 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587926184 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O ZINC000587926187 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926189 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926213 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926225 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926227 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926231 KK Annotated Anodyne COc1cc(C)ccc1-c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587926241 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926243 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926246 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926249 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926251 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926252 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926253 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1 ZINC000587926254 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926255 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926257 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926258 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926259 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926278 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926286 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587926303 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587926305 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587926331 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1-c1ccccc1 ZINC000587926351 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1-c1ccccc1 ZINC000587926353 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926380 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@@H]1CCOC1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926382 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587926384 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926386 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c(O)c2)cc1OC ZINC000587926437 KK Annotated Anodyne COc1ccc(CCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587926453 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(C)cc3OC)[nH]c21 ZINC000587926458 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(C)c(OC)c5)CC4)[nH]c3cc21 ZINC000587926476 KK Annotated Clean CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587926509 KK Annotated Clean CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587926511 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587926519 KK Annotated Reactive COc1ccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000587926697 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3c(OC)ccc(OC)c3OC)[nH]c21 ZINC000587926701 KK Annotated Clean COc1ccc(OC)c(-c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1OC ZINC000587926713 KK Annotated Bother CCCCC1(COc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587926768 KK Annotated Clean COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926776 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926777 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926778 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926779 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587926790 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587926791 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587926792 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587926793 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587926794 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(-c3cccc(OC)c3)c2)c1-c1ccccc1 ZINC000587926795 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587926832 KK Annotated Anodyne COc1ccc(OC)c(-c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1OC ZINC000587926873 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c(O)c2)cc1OC ZINC000587926910 KK Annotated Bother CC[C@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587926924 KK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587926931 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(O)cc(C(=O)O)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587926940 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccc(C)c(OC)c4)CC3)[nH]c21 ZINC000587926946 KK Annotated Clean CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587926957 KK Annotated Reactive CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587926958 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(OC)c(OC)c3)[nH]c21 ZINC000587926967 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc(-c5ccc(OC)c(OC)c5)cc4O)[nH]c3cc21 ZINC000587926991 KK Annotated Clean CCCCCCCCOc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587926993 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587926998 KK Annotated Mild CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587927068 KK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587927071 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927086 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](CC)c3ccc(OC)c(OC)c3)[nH]c2cc1Br ZINC000587927090 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(OC)c(OC)c4)[nH]c3cc21 ZINC000587927098 KK Annotated Clean CCCCCOc1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cc1Br ZINC000587927202 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587927257 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587927258 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587927259 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587927260 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O ZINC000587927261 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587927263 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587927264 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587927360 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1 ZINC000587927363 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(O)c(-c3ccccc3)c2)c1-c1ccccc1 ZINC000587927413 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927504 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927509 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927512 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927515 KK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587927517 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927518 KK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC ZINC000587927519 KK Annotated Reactive COC(=O)c1ccc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)c(O[C@@H]2CCOC2)c1 ZINC000587927555 KK Annotated Anodyne COC(=O)c1ccc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)c(O[C@H]2CCOC2)c1 ZINC000587927556 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927558 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927559 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927560 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927562 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(OC)c2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927564 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccc(O)c(-c3ccccc3)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587927576 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c(O)c2)cc1OC ZINC000587927581 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c(O)c2)cc1OC ZINC000587927625 KK Annotated Anodyne COc1cc(C2(c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)CC2)ccc1C ZINC000587927637 KK Annotated Anodyne COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000587927692 KK Annotated Anodyne COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1OC ZINC000587927695 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c21 ZINC000587927733 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c21 ZINC000587927736 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927742 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927744 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(O)c(-c2ccccc2)c1 ZINC000587927793 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927800 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927803 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927805 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927808 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(OC)c3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927812 KK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587927829 KK Annotated Clean CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587927833 KK Annotated Clean CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927844 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927847 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927852 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927855 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(O)cc(C(=O)O)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927858 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(O)cc(C(=O)O)c2)c1-c1ccccc1 ZINC000587927865 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927898 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927899 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587927901 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927904 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587927906 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c(O)c2)cc1OC ZINC000587928016 KK Annotated Anodyne COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c(O)c2)cc1OC ZINC000587928068 KK Annotated Anodyne CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587928139 KK Annotated Anodyne CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587928140 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c21 ZINC000587928178 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)cc1OC ZINC000587928278 KK Annotated Anodyne COc1ccc(CCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c1 ZINC000587928327 KK Annotated Reactive CCCCCCCCOc1cc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2cc1Br ZINC000587928330 KK Annotated Mild COc1ccc(CCCc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(OC)c1 ZINC000587928375 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc21 ZINC000587928495 KK Annotated Clean CCCCCCCCOc1cc2nc(CCCc3ccc(OC)cc3OC)[nH]c2cc1Br ZINC000587928554 KK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2C)c(OC)c1 ZINC000587928570 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(Br)ccc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587928646 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c21 ZINC000587928681 KK Annotated Clean COc1ccccc1CC(=O)c1nc2cc3c(cc2[nH]1)C(=O)OC31c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587928709 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCc3ccc(OC)cc3OC)[nH]c21 ZINC000587928782 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@@]4(C)c4ccccc4OC)[nH]c3cc21 ZINC000587928925 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4C[C@]4(C)c4ccccc4OC)[nH]c3cc21 ZINC000587928926 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@]4(C)c4ccccc4OC)[nH]c3cc21 ZINC000587928929 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@@]4(C)c4ccccc4OC)[nH]c3cc21 ZINC000587928930 KK Annotated Clean COc1ccc(/C=C/Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(OC)c1 ZINC000587928952 KK Annotated Anodyne COc1ccc(/C=C\Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(OC)c1 ZINC000587928960 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587928972 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4c(Br)cnc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587929001 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)c2C)c(OC)c1 ZINC000587929004 KK Annotated Anodyne COc1ccc(/C=C\Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(OC)c1 ZINC000587929015 KK Annotated Bother COc1ccc(/C=C/Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(OC)c1 ZINC000587929016 KK Annotated Bother COc1ccc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2C)c(OC)c1 ZINC000587929034 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccc(OC)c(OC)c5)cc4)nc3cc21 ZINC000587929076 KK Annotated Clean COc1ccc(-c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)cc1OC ZINC000587929105 KK Annotated Bother COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587929237 KK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587929238 KK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587929239 KK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587929248 KK Annotated Anodyne COc1ccc(CCCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c(OC)c1 ZINC000587929272 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)c2C)c(OC)c1 ZINC000587929277 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2C)c(OC)c1 ZINC000587929299 KK Annotated Reactive COc1ccc(-c2cccc(-c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)c2C)c(OC)c1 ZINC000587929317 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C(=O)Cc3ccccc3OC)nc21 ZINC000587929445 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCc4ccc(OC)cc4OC)[nH]c3cc21 ZINC000587929545 KK Annotated Clean COc1ccc(CCCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(OC)c1 ZINC000587929669 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C/C=C\c3ccc(OC)cc3OC)[nH]c21 ZINC000587929714 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C/C=C/c3ccc(OC)cc3OC)[nH]c21 ZINC000587929717 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(OC)cc5OC)c4C)[nH]c3cc21 ZINC000587929747 KK Annotated Clean COc1ccc(-c2cccc(-c3nc4c(I)cnc(Cl)c4[nH]3)c2C)c(OC)c1 ZINC000587929757 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C/C=C\c4ccc(OC)cc4OC)[nH]c3cc21 ZINC000587929782 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C/C=C/c4ccc(OC)cc4OC)[nH]c3cc21 ZINC000587929784 KK Annotated Clean COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)c2C)c(OC)c1 ZINC000587929837 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(OC(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929894 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Br)ccc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929899 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(I)cnc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929905 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)nc2c1 ZINC000587929935 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929957 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(N)nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587929962 KK Annotated Anodyne CCCCCOc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1Br ZINC000587929968 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(OC)c4)[nH]c3cc21 ZINC000587930000 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930040 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930046 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930054 KK Annotated Anodyne COc1cccc(CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587930065 KK Annotated Anodyne COc1cccc(C2(c3nc4c(N)nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc4[nH]3)CCCC2)c1 ZINC000587930078 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930124 KK Annotated Anodyne COc1cccc(C2(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CCCC2)c1 ZINC000587930136 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cccc(OC)c3)[nH]c21 ZINC000587930139 KK Annotated Clean COc1ccc(-c2nnc(-c3ccc4nc([C@]56CCCC(C)(C)[C@@H]5CCc5cc(C(C)C)c(OC)c(O)c56)[nH]c4c3)o2)cc1 ZINC000587930193 KK Annotated Anodyne COC(=O)c1cc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587930302 KK Annotated Anodyne CCCCCOc1cc2nc(-c3cccc(-c4ccc(OC)cc4OC)c3C)[nH]c2cc1Br ZINC000587930306 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c5cccnc5c5ncccc5c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930374 KK Annotated Bother COc1cc(O)cc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)c1 ZINC000587930380 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)Nc5ccc(CN6CCN(C)CC6)cc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930393 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930417 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc21 ZINC000587930447 KK Annotated Clean COc1cccc(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587930485 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587930544 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@]45CCCC(C)(C)[C@@H]4CCc4cc(C(C)C)c(OC)c(O)c45)[nH]c3c2)cc1 ZINC000587930586 KK Annotated Anodyne COc1cc(O)cc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c1 ZINC000587930592 KK Annotated Bother COc1cc(O)cc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587930610 KK Annotated Reactive COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(-c5nc6ccccc6s5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930617 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930624 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](C)c3cccc(OC)c3)[nH]c21 ZINC000587930626 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)c(C)c(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930693 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930696 KK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c3[nH]2)cc1 ZINC000587930702 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930707 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)c(O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930711 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)c2C)c(OC)c1 ZINC000587930741 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2C)c(OC)c1 ZINC000587930795 KK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587930828 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Oc5ccccc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930835 KK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587930836 KK Annotated Bother COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587930837 KK Annotated Bother COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587930840 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OCCC(C)C)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930856 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(-c4ccc(-c5ccccc5OC)cc4)nc3cc21 ZINC000587930869 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Cl)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930901 KK Annotated Anodyne COC(=O)c1cc2[nH]c([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)nc2cc1OC ZINC000587930905 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc(C(=O)O)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587930938 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H](C)c3cccc(OC)c3)[nH]c21 ZINC000587930971 KK Annotated Clean COc1cccc([C@@H](C)Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587931026 KK Annotated Bother COc1cccc([C@H](C)Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c1 ZINC000587931032 KK Annotated Bother COc1ccc(/C=C/Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(OC)c1 ZINC000587931060 KK Annotated Anodyne COc1ccc(/C=C\Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(OC)c1 ZINC000587931062 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c5ccccc5c5ccccc5c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931125 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931267 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CCCC(C)(C)[C@@H]1CC2 ZINC000587931279 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Sc5ccccc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931284 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587931379 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCc3cccc(OC)c3)[nH]c21 ZINC000587931392 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c21 ZINC000587931436 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587931440 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OC(F)(F)F)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931456 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931467 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc21 ZINC000587931470 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)c(C(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931475 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931487 KK Annotated Reactive COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931515 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c21 ZINC000587931517 KK Annotated Clean COc1cccc(-c2cc(O)cc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)c1 ZINC000587931569 KK Annotated Bother COC(=O)c1cc(Br)c2[nH]c([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)nc2c1 ZINC000587931580 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Br)cnc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931594 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(OCCN(C)C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931624 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(F)c(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931661 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931679 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931689 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(I)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931692 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(C(=O)Cc4ccccc4OC)nc3cc21 ZINC000587931697 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C#N)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931698 KK Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc([N+](=O)[O-])c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587931748 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@]3(C)c3ccccc3OC)[nH]c21 ZINC000587931882 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@]3(C)c3ccccc3OC)[nH]c21 ZINC000587931886 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@@]3(C)c3ccccc3OC)[nH]c21 ZINC000587931891 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3C[C@@]3(C)c3ccccc3OC)[nH]c21 ZINC000587931894 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCc4cccc(OC)c4)[nH]c3cc21 ZINC000587932031 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5cc(O)cc(OC)c5)c4)[nH]c3cc21 ZINC000587932104 KK Annotated Clean COc1cc(O)cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)c1 ZINC000587932123 KK Annotated Anodyne COc1ccccc1CC(=O)c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587932168 KK Annotated Bother COc1cccc(C(=O)c2ccc(-c3nc4nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c4[nH]3)cc2)c1 ZINC000587932174 KK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587932185 KK Annotated Anodyne COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587932186 KK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587932187 KK Annotated Anodyne COc1ccccc1[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587932190 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587932364 KK Annotated Mild CCCCCCCCOc1cc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2cc1Br ZINC000587932373 KK Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C#N)c(C(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932425 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5cccc(OC)c5)CCCC4)[nH]c3cc21 ZINC000587932435 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932463 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(I)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932515 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1Br ZINC000587932536 KK Annotated Mild COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)c(F)c(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932539 KK Annotated Anodyne COc1cccc(C2(c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)CCCC2)c1 ZINC000587932574 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OCC(C)C)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932577 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(C)c(Br)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932597 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932611 KK Annotated Anodyne CCCOc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1Br ZINC000587932618 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(SC(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932620 KK Annotated Anodyne COC(=O)c1cc(Cl)c2[nH]c([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)nc2c1 ZINC000587932624 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932627 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932733 KK Annotated Anodyne COc1cccc(C(=O)c2ccc(-c3nc4cc(C(=O)O)c(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)cc4[nH]3)cc2)c1 ZINC000587932741 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)c(C)nc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932791 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc(C(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932794 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc([C@]45CCCC(C)(C)[C@@H]4CCc4cc(C(C)C)c(OC)c(O)c45)[nH]c3c2)cc1 ZINC000587932795 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932808 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932819 KK Annotated Reactive COC(=O)c1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c(F)c1Nc1ccccc1 ZINC000587932833 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932848 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](C)c4cccc(OC)c4)[nH]c3cc21 ZINC000587932871 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932873 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H](C)c4cccc(OC)c4)[nH]c3cc21 ZINC000587932874 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c21 ZINC000587932889 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932907 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932911 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@]45CCCC(C)(C)[C@@H]4CCc4cc(C(C)C)c(OC)c(O)c45)[nH]c3cc21 ZINC000587932915 KK Annotated Clean COc1ccccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587932939 KK Annotated Reactive COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)CCCC(C)(C)[C@@H]1CC2 ZINC000587932960 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C5=C(C)CC(=O)NN5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587932987 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933013 KK Annotated Anodyne COc1cccc([C@H](C)Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587933029 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OC(C)C)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933032 KK Annotated Anodyne COc1cccc([C@@H](C)Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)c1 ZINC000587933034 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cc(O)cc(-c5cccc(OC)c5)c4)[nH]c3cc21 ZINC000587933042 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(C(=O)Nc5ccc(CCN6CCN(C)CC6)cc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933064 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933101 KK Annotated Anodyne COc1ccccc1-c1ccc(-c2nc3cc(C(=O)O)c(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)cc3[nH]2)cc1 ZINC000587933113 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(I)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933155 KK Annotated Anodyne CCCCOc1cc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2cc1Br ZINC000587933174 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)cc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933179 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933182 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)c([N+](=O)[O-])c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933190 KK Annotated Bother CCCCCCCCOc1cc2nc(-c3cccc(-c4cc(O)cc(OC)c4)c3)[nH]c2cc1Br ZINC000587933255 KK Annotated Mild CCS(=O)(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587933274 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc(OC(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933298 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933314 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)c(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933319 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933324 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933326 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(OCc5ccccc5)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933335 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(F)cc(C(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933354 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc5nc6ccccc6nc5cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933357 KK Annotated Bother COc1cccc(C2(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CCCC2)c1 ZINC000587933373 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Br)c(C)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933379 KK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)c1 ZINC000587933386 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933387 KK Annotated Anodyne CCOC(=O)Cc1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1 ZINC000587933396 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933407 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933428 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OC(F)(F)F)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933436 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Cl)c(Br)cnc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933447 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(C(F)(F)F)cc(C(F)(F)F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933482 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933483 KK Annotated Clean COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(Br)cnc(Cl)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933488 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(OCc5ccccc5)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933492 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cccc(C(=O)Nc5ccc(C(F)(F)F)cc5)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933495 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933503 KK Annotated Anodyne COC(=O)c1ccc2nc([C@]34CCCC(C)(C)[C@@H]3CCc3cc(C(C)C)c(OC)c(O)c34)[nH]c2c1OC ZINC000587933524 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(Br)cc(F)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933542 KK Annotated Anodyne COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933547 KK Annotated Bother COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4c(F)cnc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 ZINC000587933548 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3cc(O)cc(-c4cccc(OC)c4)c3)[nH]c2cc1Br ZINC000587933575 KK Annotated Mild COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587933576 KK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587933577 KK Annotated Anodyne COc1cccc(-c2cc(O)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 ZINC000587933579 KK Annotated Reactive COc1cccc(-c2cc(O)cc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)c1 ZINC000587933607 KK Annotated Anodyne COc1cccc(C2(c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)CCCC2)c1 ZINC000587933609 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4cccc(OC)c4)CCCC3)[nH]c21 ZINC000587933643 KK Annotated Clean COc1ccc2cc([C@@H](C)c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)ccc2c1 ZINC000587933968 KK Annotated Bother COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587933974 KK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587933998 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cccc(C3=NC(C)(C)CO3)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587934024 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1-c1ccccc1 ZINC000587934038 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934042 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934051 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934052 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934054 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934055 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934060 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934061 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587934075 KK Annotated Mild COc1ccc(C2(c3nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934076 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934091 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934093 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934094 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934095 KK Annotated Anodyne CCOC(=O)c1cc(OCC)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1OCC ZINC000587934120 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587934134 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587934135 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587934136 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587934137 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587934138 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934139 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934140 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934143 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934146 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934147 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](c4ccccc4)c4ccc(OC)cc4)[nH]c3cc21 ZINC000587934153 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](c4ccccc4)c4ccc(OC)cc4)[nH]c3cc21 ZINC000587934157 KK Annotated Clean CC(C)(C)Oc1cc(-c2ccccc2)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934168 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934175 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O ZINC000587934176 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587934178 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587934179 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587934180 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587934181 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934183 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934188 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934189 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934190 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934191 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934192 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934193 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934198 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934199 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccccc2Cl)c1O ZINC000587934203 KK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(CCC(=O)O)ccc1-c1ccccc1 ZINC000587934211 KK Annotated Mild COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)ccc2c1 ZINC000587934222 KK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)ccc2c1 ZINC000587934253 KK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587934313 KK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587934321 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934422 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934423 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934425 KK Annotated Mild CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934426 KK Annotated Mild CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934427 KK Annotated Mild CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934428 KK Annotated Mild CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934429 KK Annotated Mild CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934430 KK Annotated Mild CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934431 KK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587934439 KK Annotated Mild COc1ccc(-c2cccc(-c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)c2)cc1 ZINC000587934451 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587934454 KK Annotated Anodyne COc1ccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 ZINC000587934456 KK Annotated Reactive CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587934457 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587934458 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587934460 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934463 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587934470 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587934471 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587934472 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587934473 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587934474 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587934479 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587934492 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587934499 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587934501 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587934502 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587934503 KK Annotated Mild CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934516 KK Annotated Mild CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934520 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934521 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934540 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587934546 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c21 ZINC000587934563 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934565 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587934566 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O ZINC000587934577 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(Br)c2N)c1-c1ccccc1 ZINC000587934604 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(O)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2O)cc1 ZINC000587934605 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934606 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934607 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934609 KK Annotated Anodyne Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934610 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934611 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934612 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934616 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934617 KK Annotated Mild COc1ccc2cc([C@@H](C)c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)ccc2c1 ZINC000587934647 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc5cc(OC)ccc5c4)[nH]c3cc21 ZINC000587934675 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC4=CCCc5cc(OC)ccc54)[nH]c3cc21 ZINC000587934806 KK Annotated Clean COc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 ZINC000587934823 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934841 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934842 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934845 KK Annotated Mild COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(Br)c2N)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934868 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(Br)c2N)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934869 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(Br)c2N)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934871 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(Br)c2N)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587934875 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587934881 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587934882 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587934883 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587934884 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587934886 KK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934925 KK Annotated Mild CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934941 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587934958 KK Annotated Mild CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934986 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934988 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587934991 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934994 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587934997 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4cccc(-c5ccc(OC)cc5)c4)[nH]c3cc21 ZINC000587935000 KK Annotated Clean N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587935009 KK Annotated Mild Cn1cc(-c2cccc(Br)c2-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)cn1 ZINC000587935013 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935018 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2O)cc1Br ZINC000587935019 KK Annotated Mild CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935020 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935021 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935022 KK Annotated Anodyne CC(C)c1ccc(-c2cc(O)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2O)cc1 ZINC000587935028 KK Annotated Mild COc1c(Cc2cccc3ccccc23)cc(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935031 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587935032 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N ZINC000587935033 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587935049 KK Annotated Mild CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3c(Br)cc(Br)c(Cl)c3C#N)c2C1 ZINC000587935054 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935057 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935059 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935061 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935063 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(N)cccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935065 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935071 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935072 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1c(Br)cccc1-c1cnn(C)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587935073 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2c(Br)cccc2-c2cnn(C)c2)c1-c1ccccc1 ZINC000587935081 KK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2c(Br)cc(Br)c(Cl)c2C#N)CC(C)(C)CC3=O)cc1 ZINC000587935091 KK Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@H]1C[C@H](n2cc(C)c(O)nc2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000587935106 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587935115 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c21 ZINC000587935145 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c21 ZINC000587935169 KK Annotated Clean CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587935170 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587935171 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)[C@H](O)c3ccc(OC)cc3)[nH]c21 ZINC000587935177 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c21 ZINC000587935182 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)[C@@H](O)c3ccc(OC)cc3)[nH]c21 ZINC000587935185 KK Annotated Clean CCCCC1(COc2ccc(O)n2-c2cc(Br)c(OCC)cc2NCCC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587935186 KK Annotated Clean CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935200 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(-c2ccc(Br)cc2)cc(C(=O)OCC)c1-c1ccccc1 ZINC000587935240 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935289 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935300 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935303 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935306 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935310 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC3=CCCc4cc(OC)ccc43)[nH]c21 ZINC000587935331 KK Annotated Clean COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587935343 KK Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587935345 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935366 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935369 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587935379 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc(C(=O)OC(C)(C)C)c1OC(C)(C)C ZINC000587935394 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587935403 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587935448 KK Annotated Bother COc1ccc(C2(c3nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935450 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935451 KK Annotated Clean COc1ccc(C2(c3nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935470 KK Annotated Anodyne COc1ccc(C2(c3nc4ccc(S(=O)(=O)Nc5c(C)n(C)n(-c6ccccc6)c5=O)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587935483 KK Annotated Anodyne COC(=O)c1cc(-n2c(-c3ccc(C)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1Br ZINC000587935486 KK Annotated Clean Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cccc(Br)c1N)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587935533 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935540 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2c(Br)cccc2-c2cnn(C)c2)CC(C)(C)CC3=O)cc1 ZINC000587935543 KK Annotated Clean N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587935546 KK Annotated Mild CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935565 KK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935579 KK Annotated Mild CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935581 KK Annotated Mild COc1ccc(-c2cccc(-c3nc4[nH]c(-c5nn(Cc6ccccc6F)c6ncccc56)nc(N)c-4n3)c2)cc1 ZINC000587935589 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2cccc(Cl)c2)c1O ZINC000587935610 KK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587935620 KK Annotated Mild CCCCC1(COc2ccc(O)n2-c2c(N)cccc2Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587935625 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587935636 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O ZINC000587935638 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3cccc(Br)c3)c2O)c(Cl)cc1Br ZINC000587935640 KK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587935641 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935647 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935648 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935649 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935651 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Br)cccc2-c2cnn(C)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935652 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3c(Br)cccc3-c3cnn(C)c3)c2O)cc1Br ZINC000587935661 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935662 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935663 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935664 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935665 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935666 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935667 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587935668 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587935669 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935670 KK Annotated Bother COc1ccc([C@H](O)[C@H](C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587935681 KK Annotated Bother COc1ccc([C@@H](O)[C@H](C)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587935685 KK Annotated Bother COc1ccc2cc([C@@H](C)c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)ccc2c1 ZINC000587935701 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587935705 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587935765 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587935769 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)c(C(=O)OCC)c(C(=O)OCC)c1OCC ZINC000587935773 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935780 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587935781 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587935782 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935783 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935787 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935793 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935795 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935796 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935797 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935798 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587935800 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2c(N)cccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935802 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587935814 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935826 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587935827 KK Annotated Mild COc1ccc(-c2ccc(CCC(=O)O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)cc1 ZINC000587935833 KK Annotated Mild CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935841 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935844 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Br)c2N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935847 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c(N)cccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935848 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c(N)cccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935854 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c(N)cccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935858 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c(N)cccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587935860 KK Annotated Anodyne COc1ccc2c(c1)CCC=C2Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587935861 KK Annotated Bother N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc([N+](=O)[O-])cc2)c1O ZINC000587935889 KK Annotated Mild CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587935893 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)OC)c(Br)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935900 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2c(N)cccc2Br)c1-c1ccccc1 ZINC000587935902 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)OC)c(Br)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587935909 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2c(Br)cccc2-c2cnn(C)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587935910 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)OC)c(Br)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935911 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)OC)c(Br)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587935913 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2OCC2(CCCC)C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)c(Br)c1 ZINC000587935915 KK Annotated Clean COC(=O)c1cc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)c(Cl)cc1Br ZINC000587935920 KK Annotated Anodyne CCCCc1ccc(-n2c(CCC(=O)OCC)ccc2-c2ccc(Br)cc2)c(Br)c1 ZINC000587935931 KK Annotated Clean COc1ccc2c(c1)CCC=C2Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587935943 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Br)c1 ZINC000587935953 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(Br)c1 ZINC000587935956 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)c(-c2ccccc2)c(-c2ccccc2)c1OCC ZINC000587935965 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587935975 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587935978 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935986 KK Annotated Anodyne COc1ccc2cc([C@@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2c1 ZINC000587935987 KK Annotated Reactive CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587935990 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587936003 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)c2)cc1 ZINC000587936022 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccc(OC)cc5)CC5(CCC5)C4)[nH]c3cc21 ZINC000587936027 KK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(OC(C)(C)C)cc(Cc2ccccc2)c1O ZINC000587936046 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O ZINC000587936048 KK Annotated Clean COc1ccc(C2(c3nc4cc5c(cc4[nH]3)C3(OC5=O)c4ccc(OC(C)=O)cc4Oc4cc(OC(C)=O)ccc43)CC3(CCC3)C2)cc1 ZINC000587936058 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c21 ZINC000587936063 KK Annotated Clean COc1ccc(C2(c3nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936073 KK Annotated Bother CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936101 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936137 KK Annotated Anodyne CCCCc1ccc(-n2c(OCC)c(CC(=O)OCC)c(C(=O)OCC)c2OCC)c(Br)c1 ZINC000587936144 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936150 KK Annotated Anodyne Oc1cc(-c2ccc(Cl)c(Cl)c2)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936152 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936155 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936158 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587936162 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936165 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936174 KK Annotated Bother CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936185 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936218 KK Annotated Anodyne COc1ccc(C2(c3nc4ccc(S(=O)(=O)Nc5ccccc5OC)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936220 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1-c1ccccc1 ZINC000587936221 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936225 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936227 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936229 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587936231 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936235 KK Annotated Bother COc1ccc([C@@H](c2ccccc2)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587936237 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936238 KK Annotated Bother COc1ccc([C@H](c2ccccc2)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587936242 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587936246 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587936256 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587936258 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587936261 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587936264 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936267 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2O[C@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1Br ZINC000587936269 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936270 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936271 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936274 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936275 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936276 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936301 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936303 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936306 KK Annotated Bother COc1ccc(-c2cc3c(n2-c2c(Br)cc(Br)c(Cl)c2C#N)CC(C)(C)CC3=O)cc1 ZINC000587936311 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936312 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587936315 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936328 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587936331 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936340 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587936347 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936349 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(C(=O)OC)c(Br)cc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587936364 KK Annotated Clean COC(=O)c1cc(-n2c(-c3ccc(F)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1Br ZINC000587936368 KK Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936377 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587936386 KK Annotated Mild CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587936399 KK Annotated Mild CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587936403 KK Annotated Mild CCCC[C@@]1(Oc2ccc(O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587936406 KK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(CCC(=O)O)ccc1-c1cccs1 ZINC000587936409 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587936410 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587936412 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O ZINC000587936416 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936424 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936427 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936429 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936434 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2N)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936436 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587936455 KK Annotated Mild CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587936460 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936469 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936471 KK Annotated Mild COC(=O)c1cc(-n2c(-c3ccc(OC)cc3)cc3c2CC(C)(C)CC3=O)c(Cl)cc1Br ZINC000587936475 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587936481 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936486 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936488 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936489 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936490 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936491 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1N)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936492 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587936493 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936496 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936497 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936499 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936501 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936507 KK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000587936525 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587936540 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)ccc1OCCCc1ccccc1 ZINC000587936544 KK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936550 KK Annotated Mild CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1OCC ZINC000587936553 KK Annotated Mild N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(O)cc(-c2ccc(Cl)cc2)c1O ZINC000587936554 KK Annotated Mild Cc1ccc(-c2ccc(CCC(=O)O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)s1 ZINC000587936563 KK Annotated Mild CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936565 KK Annotated Anodyne CCOc1cc([C@@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936567 KK Annotated Mild CCOc1cc([C@H](C)[N+](=O)[O-])c(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936568 KK Annotated Mild CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936572 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587936576 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(N)cccc1Br ZINC000587936577 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936580 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936581 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936582 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936583 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1-c1ccccc1 ZINC000587936587 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587936599 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587936601 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587936604 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587936606 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587936608 KK Annotated Anodyne CCCCc1ccc(-n2c(OCC)c(-c3ccccc3)c(-c3ccccc3)c2OCC)c(Br)c1 ZINC000587936618 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(OC)c(Br)c2)c1O ZINC000587936619 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Br)c1 ZINC000587936660 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)c(Br)c1 ZINC000587936677 KK Annotated Anodyne CCOc1cc(CC(C)=O)c(OCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936679 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936682 KK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936685 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936686 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936687 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936688 KK Annotated Anodyne N#Cc1c(Cl)c(Br)cc(Br)c1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587936689 KK Annotated Mild CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936691 KK Annotated Anodyne COc1ccc(C2(c3nc4c(N)nc(-c5nn(Cc6ccccc6F)c6ncccc56)nc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587936700 KK Annotated Anodyne CCCCc1ccc(-n2c(-c3ccc(Br)cc3)cc(C(=O)OCC)c2-c2ccccc2)c(Br)c1 ZINC000587936769 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936772 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CCCC)c2O)c(Br)c1 ZINC000587936775 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936777 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936780 KK Annotated Mild CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@@H](C)CCCC)c2O)c(Br)c1 ZINC000587936781 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936786 KK Annotated Anodyne CCCCc1ccc(-n2c(O)cc(CC(=O)O[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)c2O)c(Br)c1 ZINC000587936791 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936801 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936805 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936808 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936810 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936812 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936816 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Br)cccc1-c1cnn(C)c1 ZINC000587936817 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936818 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936822 KK Annotated Anodyne COC(=O)c1cc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)c(Cl)cc1Br ZINC000587936823 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936826 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936828 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936829 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936831 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936832 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936835 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587936837 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936839 KK Annotated Bother CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1c(Br)cc(Br)c(Cl)c1C#N ZINC000587936848 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587936849 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936852 KK Annotated Bother COC(=O)c1cc(-n2c(O)cc(Cc3cccc4ccccc34)c2OC)c(Cl)cc1Br ZINC000587936854 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2cc1Br ZINC000587936856 KK Annotated Mild CCOC(=O)c1cc(-c2ccc(Br)cc2)n(NCc2ccccc2Br)c1-c1ccccc1 ZINC000587936861 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587936864 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587936868 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587936870 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587936891 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587936892 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587936893 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587936894 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC ZINC000587936896 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936899 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2O[C@@H]2C[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1Br ZINC000587936913 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2c(Br)cc(Br)c(Cl)c2C#N)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587936923 KK Annotated Mild COC(=O)c1cc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1Br ZINC000587936924 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2O[C@@H]2C[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1Br ZINC000587936927 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1Br ZINC000587936932 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587936939 KK Annotated Anodyne CCCCc1ccc(-n2c(OCC)c(C(=O)OCC)c(C(=O)OCC)c2OCC)c(Br)c1 ZINC000587936952 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cccc(-c3cccc(C(=O)O)n3)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587936961 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000587936986 KK Annotated Clean CCCCc1ccc(-n2c(OCC)cc(C(C(=O)OCC)C(=O)OCC)c2OCC)c(Br)c1 ZINC000587936988 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Br)cc(Br)c(Cl)c2C#N)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937007 KK Annotated Mild CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937008 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937010 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)c(CC(=O)OCC)c(C(=O)OCC)c1OCC ZINC000587937019 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937022 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937023 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937024 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937025 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937027 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937028 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937029 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937035 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937042 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937053 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937095 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937097 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937099 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937101 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937102 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937103 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937104 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937108 KK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937112 KK Annotated Bother COc1ccc2c(c1)C[C@@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)CC2 ZINC000587937117 KK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]1)CC2 ZINC000587937118 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937123 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937130 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937131 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937132 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937133 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937233 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937237 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937240 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937243 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937244 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937248 KK Annotated Bother COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937249 KK Annotated Bother COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937250 KK Annotated Bother CCCCc1ccc(-n2c(O[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937252 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937253 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1c(N)cccc1Br ZINC000587937259 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937261 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1c(N)cccc1Br ZINC000587937263 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937270 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937272 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937276 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587937280 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587937283 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587937284 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(-c2ccc(OC)cc2)cc2c1CC(C)(C)CC2=O ZINC000587937292 KK Annotated Clean Cc1ccc(-c2cc3c(n2-c2ccc(N4CCN(C)CC4)c(Br)c2)CC(C)(C)CC3=O)cc1 ZINC000587937294 KK Annotated Clean COc1ccc(-c2cc3c(n2-c2ccc(N4CCN(C)CC4)c(Br)c2)CC(C)(C)CC3=O)cc1 ZINC000587937300 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937304 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937308 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccccc3Br)c2O)c(Cl)cc1Br ZINC000587937309 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937314 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937316 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937317 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937319 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937321 KK Annotated Anodyne CN1CCN(c2ccc(-n3c(OCc4ccccc4)cc(-c4ccccc4)c3O)cc2Br)CC1 ZINC000587937326 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587937338 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937347 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937349 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937352 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937353 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937355 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937356 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587937357 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937375 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587937377 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587937380 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587937383 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587937386 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O ZINC000587937389 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937399 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937401 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937411 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937413 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937416 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937419 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937420 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937421 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937422 KK Annotated Bother COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(Br)c2N)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937426 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587937434 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@@H]1C[C@H](n2cnc3c(O)nc(NC(=O)C(C)C)nc32)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000587937437 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@@H]1C[C@H](n2cnc3c(O)nc(NC(=O)C(C)C)nc32)O[C@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000587937440 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@@H]1C[C@@H](n2cnc3c(O)nc(NC(=O)C(C)C)nc32)O[C@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000587937442 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@@H]1C[C@@H](n2cnc3c(O)nc(NC(=O)C(C)C)nc32)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000587937446 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(CCC(=O)OCC)ccc1-c1ccc(Br)cc1 ZINC000587937447 KK Annotated Clean Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cccc(Br)c1[N+](=O)[O-])CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587937450 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587937454 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937455 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587937456 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937459 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587937460 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937461 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587937462 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937463 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587937464 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937465 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587937466 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O ZINC000587937468 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937486 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937488 KK Annotated Bother CCCCC1(COc2ccc(O)n2-c2ccc(N3CCN(C)CC3)c(Br)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587937495 KK Annotated Clean COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(Br)c2[N+](=O)[O-])(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937507 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937510 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937516 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937518 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(-c3cccc(OC)c3)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937520 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)[C@H](O)c4ccc(OC)cc4)[nH]c3cc21 ZINC000587937537 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)[C@H](O)c4ccc(OC)cc4)[nH]c3cc21 ZINC000587937538 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)[C@@H](O)c4ccc(OC)cc4)[nH]c3cc21 ZINC000587937539 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)[C@@H](O)c4ccc(OC)cc4)[nH]c3cc21 ZINC000587937540 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2c(N)cccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937674 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(N)cccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937675 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(N)cccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937676 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(N)cccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937678 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937686 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937688 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937690 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)[C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587937705 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cccc(Br)c1N ZINC000587937707 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cccc(Br)c1N ZINC000587937709 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000587937715 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587937717 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(Cc2cccc3ccccc23)c1OC ZINC000587937719 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937722 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937724 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937725 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937727 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)OC)c(Br)cc2Cl)c1O ZINC000587937728 KK Annotated Anodyne COC(=O)c1cc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Cl)cc1Br ZINC000587937750 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937752 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587937753 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587937755 KK Annotated Anodyne COC(=O)c1cc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(Cl)cc1Br ZINC000587937756 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937761 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-] ZINC000587937763 KK Annotated Bother CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(C(=O)OC)c(Br)cc1Cl ZINC000587937777 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937784 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)c(OCC)cc2NCCC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937787 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(Br)c2[N+](=O)[O-])c1-c1ccccc1 ZINC000587937790 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)c(OCC)cc2NCCC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587937791 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)c(OCC)cc2NCCC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937793 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)c(OCC)cc2NCCC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587937798 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)c(Cl)cc1Br ZINC000587937799 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(OCC)cc(C(C(=O)OCC)C(=O)OCC)c1OCC ZINC000587937805 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937806 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937807 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937808 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937809 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)c(OCC)cc2NCCC)c1O ZINC000587937811 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937814 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(N3CCN(C)CC3)c(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937815 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937816 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937818 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937819 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587937821 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cccc(Br)c2N)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587937826 KK Annotated Clean COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937827 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937840 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937841 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587937842 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937843 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937844 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937851 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937853 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937855 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937857 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Br)c1[N+](=O)[O-])[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937858 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Br)c2[N+](=O)[O-])c1O ZINC000587937860 KK Annotated Bother COc1ccc([C@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587937875 KK Annotated Anodyne COC(=O)c1cc(-n2c(O)cc(-c3ccc(OC)c(Br)c3)c2O)c(Cl)cc1Br ZINC000587937882 KK Annotated Anodyne COc1ccc([C@@H](O)[C@@H](C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587937883 KK Annotated Anodyne COc1ccc([C@@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587937884 KK Annotated Anodyne COc1ccc([C@H](O)[C@H](C)c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587937885 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@]2(CCCC)CC[C@]3(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O3)O[C@H]2/C=C/C(C)=C\C(=O)O)c(Br)c1 ZINC000587937905 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@]2(CCCC)CC[C@]3(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O3)O[C@H]2/C=C/C(C)=C\C(=O)O)c(Br)c1 ZINC000587937914 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@]2(CCCC)CC[C@]3(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O3)O[C@H]2/C=C/C(C)=C/C(=O)O)c(Br)c1 ZINC000587937915 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@]2(CCCC)CC[C@]3(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O3)O[C@H]2/C=C/C(C)=C/C(=O)O)c(Br)c1 ZINC000587937916 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937925 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)c(OCC)cc1NCCC)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937926 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 ZINC000587937937 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937943 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937945 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937947 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937950 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587937954 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587937957 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587937958 KK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587937972 KK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587937973 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587938012 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O ZINC000587938045 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587938047 KK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2cccc(-c4ccc(OCc5ccccc5)cc4)c2)CC(C)(C)CC3=O)cc1 ZINC000587938051 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587938054 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587938055 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587938056 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587938057 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587938058 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938061 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938062 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1NCc1ccccc1Br ZINC000587938071 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587938078 KK Annotated Anodyne CCCCc1ccc(-n2c(O[C@@H]([C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C)CCCC)cc(CC(=O)O)c2O)c(Br)c1 ZINC000587938079 KK Annotated Anodyne CN1CCN(c2ccc(-n3c(-c4ccc(F)cc4)cc4c3CC(C)(C)CC4=O)cc2Br)CC1 ZINC000587938081 KK Annotated Clean CCCCc1ccc(-n2c(O)ccc2O[C@@H]2C[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Br)c1 ZINC000587938087 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Br)c1 ZINC000587938088 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@@H]2C[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Br)c1 ZINC000587938089 KK Annotated Anodyne CCCCc1ccc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Br)c1 ZINC000587938090 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(N2CCN(C)CC2)c(Br)c1 ZINC000587938095 KK Annotated Anodyne CCCNc1cc(OCC)c(Br)cc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587938096 KK Annotated Anodyne CN1CCN(c2ccc(-n3c(CCC(=O)O)ccc3-c3ccc(Cl)cc3)cc2Br)CC1 ZINC000587938098 KK Annotated Clean CCCNc1cc(OCC)c(Br)cc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587938099 KK Annotated Clean CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938158 KK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587938160 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938161 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938162 KK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)cc1 ZINC000587938163 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938180 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938198 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938206 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938210 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938214 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587938246 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587938247 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587938248 KK Annotated Clean CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587938262 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2ccc(OCc3ccccc3)cc2)c1 ZINC000587938263 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938288 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938294 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938404 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938405 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938406 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938407 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938408 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O ZINC000587938419 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938442 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938443 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 ZINC000587938450 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938458 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 ZINC000587938459 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938463 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938464 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938465 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938466 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938467 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938484 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938485 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938486 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938487 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938488 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938492 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938495 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938498 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938501 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938504 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(-c2cccc(C(=O)O)n2)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938506 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c21 ZINC000587938512 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c21 ZINC000587938513 KK Annotated Clean CCCCC1(COc2ccc(O)n2-c2cccc(C3=NC(C)(C)CO3)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587938601 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1-c1ccccc1 ZINC000587938619 KK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587938633 KK Annotated Reactive COc1ccc([C@@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587938634 KK Annotated Reactive COc1ccc(C2(c3nc4cc(OCc5ccccc5)c(Br)cc4[nH]3)CC3(CCC3)C2)cc1 ZINC000587938647 KK Annotated Anodyne COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587938707 KK Annotated Anodyne COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587938708 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587938783 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587938784 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587938785 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(C(=O)O)ncc1Br ZINC000587938797 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587938799 KK Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cnc2cc(Br)ccc2c1 ZINC000587938807 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587938811 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587938812 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587938813 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587938814 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587938815 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587938816 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587938817 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938819 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587938820 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938821 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938822 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587938823 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(C(=O)O)ncc1Br ZINC000587938895 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938899 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938904 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938905 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587938906 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587938915 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587938918 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(C)c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587938988 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(C)c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587938991 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(C)c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587938992 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(C)c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587938993 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cc(Br)cnc2Br)CC(C)(C)CC3=O)cc1 ZINC000587939003 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939008 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939010 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(Br)cnc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939013 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587939017 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587939019 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587939020 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587939022 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587939023 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccnc(CCl)n2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587939031 KK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2nn(-c3ncccn3)cc2Br)c1-c1ccccc1 ZINC000587939036 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939039 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939042 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939044 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccnc(Br)c2)c1-c1ccccc1 ZINC000587939045 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1nn(-c3ncccn3)cc1Br)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587939050 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939052 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939054 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939055 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939059 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939061 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939067 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939068 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cnc2cc(Br)ccc2c1 ZINC000587939069 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cc(Br)cnc1Br ZINC000587939083 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cc(Br)cnc1Br ZINC000587939085 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587939113 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587939116 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cnc(C)c(Br)n2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587939156 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587939164 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587939166 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587939167 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587939168 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587939169 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939185 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939194 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939196 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939198 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587939200 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939204 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939220 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939223 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939224 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939248 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939251 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939255 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939256 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939258 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939280 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939284 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939286 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939288 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939291 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1ccnc(CCl)n1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587939299 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939309 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939315 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939317 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939318 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939319 KK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2ccc(Br)cc2OCc2ccccc2)CC(C)(C)CC3=O)cc1 ZINC000587939329 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939330 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939335 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939336 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939337 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587939349 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587939351 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587939364 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587939365 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587939366 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587939368 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587939371 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587939383 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939384 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939388 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939389 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939391 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939392 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939394 KK Annotated Anodyne Cc1ncc([N+](=O)[O-])n1CCOc1ccc(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587939401 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939404 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939406 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939407 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939408 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939422 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587939443 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587939446 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587939447 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939457 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939459 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939460 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939461 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939462 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939472 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939473 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2NCc2ccccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939479 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587939481 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587939482 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2NCc2ccccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939484 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2NCc2ccccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939486 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2NCc2ccccc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939487 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OCC)c(C(=O)O)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939488 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OCC)c(C(=O)O)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939491 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OCC)c(C(=O)O)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939493 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OCC)c(C(=O)O)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939494 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccnc(CCl)n1 ZINC000587939524 KK Annotated Reactive CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccnc(CCl)n1 ZINC000587939526 KK Annotated Reactive COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939534 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939550 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939553 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939554 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939556 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939560 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939562 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939563 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939565 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939568 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587939569 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939570 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939572 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939576 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587939577 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939581 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939582 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939584 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939586 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939587 KK Annotated Reactive CCCCC1(COc2ccc(O)n2-c2ccnc(Br)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587939600 KK Annotated Clean CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(Br)cnc1Br ZINC000587939601 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939608 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939611 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939612 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939615 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939616 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939618 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939620 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939621 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939622 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939624 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939625 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1nn(-c2ncccn2)cc1Br ZINC000587939627 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587939633 KK Annotated Clean CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939639 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939643 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939645 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939646 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939647 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2C[C@@H](c2cccc(Br)c2)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939652 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939656 KK Annotated Anodyne CCOc1cc(-n2c(O)ccc2O[C@H]2C[C@H](n3cc(C)c(O)nc3=O)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1C(=O)O ZINC000587939659 KK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1cc(Br)cnc1Br ZINC000587939670 KK Annotated Anodyne Oc1cc(-c2ccc(Br)cc2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939692 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587939698 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939738 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939739 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1C[C@@H](c1cccc(Br)c1)N(C)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587939742 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1C[C@H](c1cccc(Br)c1)N(C)C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587939747 KK Annotated Anodyne Cc1ncc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)nc1Br ZINC000587939757 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OCC ZINC000587939759 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939781 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939784 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939786 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587939789 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939790 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939795 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)cc(Br)c1 ZINC000587939804 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939849 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939851 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939870 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939872 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939873 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939876 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939879 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587939883 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587939885 KK Annotated Reactive COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939889 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc2cnccc2c(Br)n1 ZINC000587939892 KK Annotated Clean CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939905 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939907 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939915 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939916 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587939917 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939918 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587939919 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939920 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587939921 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587939922 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587939923 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939925 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587939926 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939928 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939929 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939930 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939931 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587939932 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939934 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939935 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939943 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939945 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939946 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939947 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939948 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939949 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939950 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587939951 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939952 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939955 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939959 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939961 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939962 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939964 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939965 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587939966 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587939968 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939975 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939976 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587939978 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587939979 KK Annotated Anodyne COc1ccc(-c2cc(O)n(C[C@H](c3cccc(Br)c3)N(C)C)c2O)cc1Br ZINC000587939982 KK Annotated Anodyne COc1ccc(-c2cc(O)n(C[C@@H](c3cccc(Br)c3)N(C)C)c2O)cc1Br ZINC000587939984 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940011 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940012 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940013 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940015 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940016 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940031 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940033 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587940035 KK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940044 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cc(C(=O)O)ncc1Br)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587940055 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587940060 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587940061 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940062 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940063 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940064 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940065 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2c[nH]cc(Br)c2=O)c1-c1ccccc1 ZINC000587940077 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940084 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940085 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940086 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)cnc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587940087 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940088 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940089 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)cnc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587940091 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)cnc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587940092 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(Br)cnc2Br)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587940093 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940103 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940104 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587940106 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587940108 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587940109 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587940112 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587940117 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940118 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940119 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587940124 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587940125 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587940126 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587940127 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940128 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940129 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940132 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940133 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587940139 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587940161 KK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587940165 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccnc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940174 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940190 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587940204 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587940206 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587940207 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587940208 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587940209 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587940213 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587940218 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587940221 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(Br)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587940224 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940227 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940230 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940236 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940238 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940239 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940241 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940243 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1nn(-c2ncccn2)cc1Br ZINC000587940250 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O ZINC000587940285 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587940294 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O ZINC000587940297 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940298 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940306 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940309 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940312 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940314 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940324 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940327 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940331 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940335 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O ZINC000587940338 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940339 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O ZINC000587940355 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(Br)cnc2Br)c1-c1ccccc1 ZINC000587940370 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1-c1ccccc1 ZINC000587940372 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940381 KK Annotated Reactive CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940383 KK Annotated Reactive CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccnc(Br)c1 ZINC000587940390 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587940393 KK Annotated Clean CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccnc(Br)c1 ZINC000587940404 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587940418 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2NCc2ccccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940420 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587940422 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2NCc2ccccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940431 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2NCc2ccccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940440 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2NCc2ccccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940445 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940448 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2NCc2ccccc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587940450 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C(=O)O)ncc2Br)c1O ZINC000587940451 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940453 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940456 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OCC ZINC000587940469 KK Annotated Anodyne Oc1cc(-c2cccc(Br)c2)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940477 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940508 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940510 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940512 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940514 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940516 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1-c1ccccc1 ZINC000587940518 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940520 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940521 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940522 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940524 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940528 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940530 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940532 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940554 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940555 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940557 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940558 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940560 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940562 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940576 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940577 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587940584 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587940585 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940594 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940596 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940598 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940601 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940603 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940607 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940608 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc3cnccc3c(Br)n2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587940616 KK Annotated Clean CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587940627 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940655 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940657 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940659 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940662 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940666 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940667 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940668 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940669 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940671 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940674 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940676 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587940677 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940680 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587940681 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587940701 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940702 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1 ZINC000587940703 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc2cnccc2c(Br)n1 ZINC000587940719 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cc(C(=O)O)ncc1Br ZINC000587940726 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cc(C(=O)O)ncc1Br ZINC000587940727 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587940735 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587940736 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cc3cnccc3c(Br)n1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587940783 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587940784 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587940786 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587940790 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587940792 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587940794 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940797 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1c[nH]cc(Br)c1=O ZINC000587940801 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940802 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940803 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940805 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940806 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1c[nH]cc(Br)c1=O ZINC000587940811 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940816 KK Annotated Clean CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1cc(Br)cnc1Br ZINC000587940824 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940840 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O ZINC000587940842 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(Br)cnc2Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587940849 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940852 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587940857 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587940858 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587940865 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587940868 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940870 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O ZINC000587940871 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940873 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940877 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940878 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940880 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940884 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940889 KK Annotated Reactive CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587940922 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587940924 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587940925 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587940926 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587940932 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2NCc2ccccc2Br)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587940936 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587940938 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587940941 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587940942 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587940963 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940966 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1 ZINC000587940970 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940971 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587940974 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587940975 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940977 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587940980 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587940982 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br ZINC000587940987 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cc(Br)cnc3Br)c2O)cc1Br ZINC000587940988 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940994 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587940999 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941002 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941004 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941005 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941016 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941018 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587941019 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941020 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587941022 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587941025 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587941028 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941040 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(Br)cc3OCc3ccccc3)c2O)cc1Br ZINC000587941043 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2cccc(Cl)c2Oc2ccccc2OC)CC(C)(C)CC3=O)cc1 ZINC000587941044 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941052 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941053 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941054 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941056 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(-c2ncccn2)cc1Br ZINC000587941057 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941062 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941067 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccnc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941076 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941078 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccnc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941080 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccnc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941081 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941082 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccnc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941083 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941084 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941085 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941087 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(C[C@H](c2cccc(Br)c2)N(C)C)c1-c1ccccc1 ZINC000587941088 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941089 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941090 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941091 KK Annotated Anodyne COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC ZINC000587941099 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OCC ZINC000587941106 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941107 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941110 KK Annotated Reactive CCOC(=O)c1cc(-c2ccc(Br)cc2)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1-c1ccccc1 ZINC000587941112 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941115 KK Annotated Reactive CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941118 KK Annotated Reactive CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587941119 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941120 KK Annotated Reactive CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587941121 KK Annotated Clean COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cnc3cc(Br)ccc3c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941126 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587941143 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587941153 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587941156 KK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc(Br)cc3OCc3ccccc3)c2C1 ZINC000587941157 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587941159 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941160 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(Br)cnc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941161 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941171 KK Annotated Anodyne Oc1cc(-c2ccccc2Br)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941174 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941176 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(Br)cnc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941177 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(Cl)cc(Br)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941178 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(Br)cnc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941179 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(Br)cnc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941181 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cc(Cl)cc(Br)c1 ZINC000587941193 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(C(=O)O)ncc2Br)c1-c1ccccc1 ZINC000587941195 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587941197 KK Annotated Reactive CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cc(Cl)cc(Br)c1 ZINC000587941198 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 ZINC000587941200 KK Annotated Reactive Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1NCc1ccccc1Br)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587941217 KK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2C1 ZINC000587941225 KK Annotated Clean COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941258 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941260 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941266 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941268 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941274 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941275 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(C(=O)O)ncc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941277 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941280 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941283 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941284 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941285 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941286 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941287 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941288 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941289 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941290 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941291 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1ccc(Br)cc1OCc1ccccc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587941295 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941296 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941297 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941308 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941310 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941311 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Br)cnc2Br)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941335 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941342 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(C)c(Br)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941343 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941347 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941348 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941351 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941352 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941353 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941361 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941362 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941364 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941365 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941366 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(Br)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941367 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941368 KK Annotated Anodyne Cc1ncc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nc1Br ZINC000587941373 KK Annotated Anodyne Cc1ncc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)nc1Br ZINC000587941377 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941388 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941390 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941393 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941396 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941398 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941409 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941412 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941415 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941418 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl ZINC000587941421 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941430 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941431 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941435 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587941437 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587941438 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587941444 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587941447 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O ZINC000587941448 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941450 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1NCc1ccccc1Br ZINC000587941455 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941469 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1NCc1ccccc1Br ZINC000587941470 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cnc(C)c(Br)n2)c1-c1ccccc1 ZINC000587941471 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941472 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941473 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941475 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941476 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941478 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941479 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941480 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O ZINC000587941481 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941483 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941494 KK Annotated Anodyne CCOc1cc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Cl)cc1C(=O)O ZINC000587941505 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941510 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Br)cc1OCc1ccccc1 ZINC000587941511 KK Annotated Anodyne CCOc1cc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(Cl)cc1C(=O)O ZINC000587941512 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941516 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(C)c(Br)n2)c1O ZINC000587941519 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941524 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941528 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941533 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941536 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941538 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941580 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941581 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941583 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941585 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941586 KK Annotated Anodyne COc1c(Cc2cccc3ccccc23)cc(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941592 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587941604 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587941642 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OCC ZINC000587941644 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587941645 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587941647 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587941649 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br ZINC000587941651 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587941659 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(NCc2ccccc2Br)c1O ZINC000587941660 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587941662 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941666 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(Br)cnc1Br ZINC000587941667 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941676 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941678 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941681 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941682 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br ZINC000587941684 KK Annotated Anodyne COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OC ZINC000587941685 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587941687 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941692 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2ccc(Br)cc2OCc2ccccc2)CC(C)(C)CC3=O)cc1 ZINC000587941693 KK Annotated Clean CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941695 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941699 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941702 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941704 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(Br)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941705 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941708 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941711 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587941719 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cnc3cc(Br)ccc3c2)c1-c1ccccc1 ZINC000587941722 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941732 KK Annotated Anodyne CCOc1cc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)c(Cl)cc1C(=O)O ZINC000587941776 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941780 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c[nH]cc(Br)c1=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941784 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941791 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(Cl)cc(Br)c1 ZINC000587941808 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587941814 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587941816 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587941817 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941833 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941834 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941835 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941836 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O ZINC000587941837 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc3cnccc3c(Br)n2)c1O ZINC000587941846 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2C[C@@H](c2cccc(Br)c2)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941868 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941876 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2C[C@@H](c2cccc(Br)c2)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941877 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941879 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cnc3cc(Br)ccc3c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587941886 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2nn(-c3ncccn3)cc2Br)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941893 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(Br)cnc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941899 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941912 KK Annotated Reactive COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941917 KK Annotated Reactive COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941919 KK Annotated Reactive COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587941921 KK Annotated Reactive CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587941922 KK Annotated Reactive CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587941926 KK Annotated Reactive CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587941927 KK Annotated Reactive CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587941928 KK Annotated Reactive CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941940 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941941 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941942 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587941943 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C(=O)O)ncc1Br)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587941944 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2C[C@H](c2cccc(Br)c2)N(C)C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587941947 KK Annotated Clean CCCCC1(COc2ccc(O)n2C[C@@H](c2cccc(Br)c2)N(C)C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587941949 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1 ZINC000587941959 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587941970 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(C[C@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587941971 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1O ZINC000587941972 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(Cl)cc(Br)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587941981 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941991 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O ZINC000587941993 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587941999 KK Annotated Anodyne CCOc1cc(-n2c(O)ccc2O[C@@H]2C[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1C(=O)O ZINC000587942016 KK Annotated Anodyne CCOc1cc(-n2c(O)ccc2O[C@@H]2C[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1C(=O)O ZINC000587942017 KK Annotated Anodyne CCOc1cc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1C(=O)O ZINC000587942020 KK Annotated Anodyne CCOc1cc(-n2c(O)ccc2O[C@@H]2C[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)O[C@@H]2COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c(Cl)cc1C(=O)O ZINC000587942023 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942039 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1NCc1ccccc1Br)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942042 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942059 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942061 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942062 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942064 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942065 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942076 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1OCC ZINC000587942078 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942084 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC(C)(C)CC3=O)cc1 ZINC000587942087 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942091 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942092 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942093 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942101 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942102 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942103 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942104 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942105 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942106 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942108 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc2cc(Br)ccc2c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942109 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942111 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587942112 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1C[C@@H](c1cccc(Br)c1)N(C)C ZINC000587942115 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587942116 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1C[C@H](c1cccc(Br)c1)N(C)C ZINC000587942117 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccc(Br)cc2OCc2ccccc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587942124 KK Annotated Clean CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1nn(-c2ncccn2)cc1Br ZINC000587942126 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587942161 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942175 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942177 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942195 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1-c1ccccc1 ZINC000587942204 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942205 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942207 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c[nH]cc(Br)c2=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942209 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942221 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942223 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(OCC)c(C(=O)O)cc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587942232 KK Annotated Clean COc1ccccc1Oc1c(Cl)cccc1-n1c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587942240 KK Annotated Anodyne COc1ccccc1Oc1c(Cl)cccc1-n1c(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000587942248 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942249 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942275 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942279 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cnc(C)c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942284 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cccc(Cl)c2Oc2ccccc2OC)c1OCC ZINC000587942288 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3cccc(Cl)c3Oc3ccccc3OC)c2O)cc1Br ZINC000587942315 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2c[nH]cc(Br)c2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587942353 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942369 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942370 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942371 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942372 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1 ZINC000587942373 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cc2cnccc2c(Br)n1 ZINC000587942385 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cc2cnccc2c(Br)n1 ZINC000587942386 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587942412 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC ZINC000587942413 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587942418 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1O ZINC000587942419 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3Cl)c2O)cc1Br ZINC000587942420 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OCC)c(C(=O)O)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942425 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587942426 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942431 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942432 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942433 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942434 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942435 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942436 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cccc(Cl)c1Oc1ccccc1OC)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942437 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942441 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942446 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942448 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942449 KK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC(C)(C)CC3=O)cc1 ZINC000587942453 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942456 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942458 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942459 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942461 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942463 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942468 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942470 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cccc(Cl)c2Oc2ccccc2OC)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942471 KK Annotated Anodyne Oc1c(-c2ccccc2)cc(OCc2ccccc2)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000587942480 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cnc(C)c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942498 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cnc(C)c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942503 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cnc(C)c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942505 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cnc(C)c(Br)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942506 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942519 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942520 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587942521 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc3cnccc3c(Br)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587942522 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc2cnccc2c(Br)n1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942525 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942776 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942782 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942783 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942786 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587942788 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942793 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942818 KK Annotated Anodyne CC(C)Oc1cc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(Cl)cc1Cl ZINC000587942847 KK Annotated Anodyne CC(C)Oc1cc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(Cl)cc1Cl ZINC000587942848 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942849 KK Annotated Bother COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942850 KK Annotated Bother COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942851 KK Annotated Bother COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587942852 KK Annotated Bother CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587942865 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942881 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942882 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942883 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942884 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587942885 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1-c1ccccc1 ZINC000587942892 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587942970 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587942971 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587942972 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587942973 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587942974 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587942985 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587942987 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587942988 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OCC ZINC000587942991 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943011 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943012 KK Annotated Bother COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943016 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OCC ZINC000587943021 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587943023 KK Annotated Clean COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943032 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943033 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943043 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943044 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943045 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943046 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943047 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943049 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943055 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943056 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943059 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943060 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943069 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943073 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943074 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943075 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943076 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943077 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943085 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943086 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943087 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943088 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943089 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943093 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O ZINC000587943094 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587943095 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587943102 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943103 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943104 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943105 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943106 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943111 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943112 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943121 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943122 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587943129 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587943132 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587943133 KK Annotated Anodyne Cc1cc(OCCn2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c(C(C)C)cc1Cl ZINC000587943140 KK Annotated Anodyne Cc1cc(OCCn2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c(C(C)C)cc1Cl ZINC000587943141 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943146 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943147 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943148 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943149 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943150 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943152 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943153 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943164 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943165 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943172 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943173 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943174 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943175 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943176 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943190 KK Annotated Bother CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943191 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943192 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943193 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943194 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943195 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587943197 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943200 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943201 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943202 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943203 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943211 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943221 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943222 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943223 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943224 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587943227 KK Annotated Clean COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943230 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943231 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943232 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943233 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O ZINC000587943234 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943237 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943238 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943243 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3c([N+](=O)[O-])cc(Br)c(F)c3C)c2O)cc1Br ZINC000587943245 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943249 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943251 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943252 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943253 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943254 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O ZINC000587943255 KK Annotated Bother CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943262 KK Annotated Bother CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OCC ZINC000587943263 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943269 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943272 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943274 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OCC ZINC000587943282 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943286 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587943289 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943299 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943300 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943301 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943302 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943311 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943312 KK Annotated Bother CCOC(=O)c1c(C(=O)OCC)c(OCC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OCC ZINC000587943315 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587943317 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587943318 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1CCCc1ccc(Cl)c(Cl)c1 ZINC000587943319 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943325 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943326 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943327 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943328 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943329 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(CCCc2ccc(Cl)c(Cl)c2)c1OCC ZINC000587943330 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OCC ZINC000587943332 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943334 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943335 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943338 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1-c1ccccc1 ZINC000587943341 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C ZINC000587943345 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943354 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943355 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O ZINC000587943370 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943371 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943372 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943373 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943374 KK Annotated Bother CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2c([N+](=O)[O-])cc(Br)c(F)c2C)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943375 KK Annotated Bother CCCCC1(COc2ccc(O)n2CCOc2cc(C)c(Cl)cc2C(C)C)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587943381 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943382 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943383 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943384 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CCCc2ccc(Cl)c(Cl)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943385 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CCCc1ccc(Cl)c(Cl)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943389 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(OC(C)C)c(Cl)cc1Cl ZINC000587943398 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943401 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943412 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943413 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587943414 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CCOc1cc(C)c(Cl)cc1C(C)C ZINC000587943415 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943422 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943424 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943425 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943432 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943433 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943434 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943435 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943436 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943437 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943438 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943440 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943441 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943442 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943443 KK Annotated Bother CCCC[C@@]1(Oc2ccc(O)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587943444 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943450 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943456 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943457 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943459 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943463 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943464 KK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccc(Br)cc3)c2O)c1F ZINC000587943480 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943483 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943484 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943485 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943486 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943489 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943490 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943491 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943492 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943493 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(F)c(Br)cc1F ZINC000587943495 KK Annotated Clean CCCCC1(COc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587943502 KK Annotated Clean CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943503 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943504 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943505 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OCC ZINC000587943507 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943525 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943526 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943527 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943528 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943529 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943531 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943542 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943543 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943546 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943547 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587943552 KK Annotated Clean CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc(F)c(C(=O)OCc4ccccc4)c3F)c2C1 ZINC000587943572 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O ZINC000587943573 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943591 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943592 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943593 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943594 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943601 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943602 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943603 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943604 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943605 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943607 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943608 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943609 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943610 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943611 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943617 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943618 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cc(F)c(Br)cc1F ZINC000587943629 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cc(F)c(Br)cc1F ZINC000587943630 KK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(OCc3ccccc3)cc(-c3ccccc3)c2O)c1F ZINC000587943637 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943638 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943639 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943640 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943641 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943642 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943648 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943649 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OCC ZINC000587943651 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943660 KK Annotated Clean CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943664 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943665 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943666 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943667 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943668 KK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3cccc(Br)c3)c2O)c1F ZINC000587943672 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1c([N+](=O)[O-])cc(Br)c(F)c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587943681 KK Annotated Bother CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943684 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943685 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943687 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943688 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943689 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587943690 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943691 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1-c1ccccc1 ZINC000587943698 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1-c1ccccc1 ZINC000587943701 KK Annotated Anodyne O=C(OCc1ccccc1)c1c(F)ccc(-n2c(O)cc(-c3ccccc3Br)c2O)c1F ZINC000587943706 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943713 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943747 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943822 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943823 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943824 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943825 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1O ZINC000587943826 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943843 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587943856 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OCC ZINC000587943873 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587943878 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)CC(C)(C)CC3=O)cc1 ZINC000587943886 KK Annotated Clean Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000587943889 KK Annotated Bother Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587943890 KK Annotated Bother Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1ccc(F)c(C(=O)OCc3ccccc3)c1F)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587943902 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F ZINC000587943906 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943910 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943911 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587943913 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943983 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943984 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943985 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943986 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O ZINC000587943987 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(-c2cccc(F)c2)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587943990 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587943999 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944000 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944001 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944002 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F ZINC000587944006 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(F)c(Br)cc2F)c1-c1ccccc1 ZINC000587944013 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944015 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944016 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944017 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944018 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(F)c(Br)cc2F)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944021 KK Annotated Clean CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OCC ZINC000587944032 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944033 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944034 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944040 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944045 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)c1OCC ZINC000587944046 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2ccc(F)c(C(=O)OCc4ccccc4)c2F)CC(C)(C)CC3=O)cc1 ZINC000587944047 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944059 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944060 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944061 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944062 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(F)c(Br)cc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944063 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944068 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944073 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944074 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944075 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944076 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944077 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944082 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944083 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944093 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944094 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944095 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944096 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944097 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944098 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587944104 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587944105 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587944106 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587944107 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587944108 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944147 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944149 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(F)c(Br)cc1F)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944150 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944151 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944152 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944153 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944154 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944155 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944156 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944157 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(F)c(Br)cc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944158 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944159 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944161 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944167 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944170 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944171 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944172 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944173 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944174 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944175 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944176 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944177 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944178 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944180 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944218 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944219 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944220 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944221 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944222 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944230 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944231 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944233 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944234 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944242 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944243 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944247 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944248 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944249 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944250 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944251 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587944257 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OCC ZINC000587944283 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944287 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1-c1ccccc1 ZINC000587944289 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944293 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944294 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944295 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944296 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944297 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944298 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944299 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944300 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944303 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944304 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944305 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587944306 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944309 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944311 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587944312 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944313 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944314 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944315 KK Annotated Clean CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587944316 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944318 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2nc(-c4ccc(F)cc4NC(C)=O)cs2)CC(C)(C)CC3=O)cc1 ZINC000587944319 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944320 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944321 KK Annotated Anodyne COc1ccc(-c2cc(O)n(Cc3nc4ccccc4n3Cc3cccc(F)c3)c2O)cc1Br ZINC000587944322 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944325 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944326 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944327 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944328 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944335 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944336 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944337 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944338 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944339 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944340 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944343 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944344 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587944346 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587944359 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944374 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OCC ZINC000587944386 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)c2O)cc1Br ZINC000587944390 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944400 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944402 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944403 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587944405 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944409 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944415 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944418 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944419 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944422 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944423 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944424 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944425 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587944426 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944427 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944430 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944435 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587944441 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944442 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587944443 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944444 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944446 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944447 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944448 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944466 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944467 KK Annotated Anodyne O=C(Nc1cccc(F)c1)c1cnc(S)nc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587944468 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944469 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944471 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944474 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944476 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944477 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944478 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944481 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944489 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944490 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944491 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944492 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(C2CCCCC2)c1O ZINC000587944514 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccccc2C)c1O ZINC000587944535 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944540 KK Annotated Clean COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944542 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944543 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944544 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944545 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944550 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587944551 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944555 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944560 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944563 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587944564 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944565 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587944566 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2cccc(Cl)c2)c1O ZINC000587944602 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000587944613 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587944614 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944617 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944618 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944620 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944621 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944622 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587944623 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cc(C)n(Cc3ccccc3F)n1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587944624 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587944625 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944626 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944628 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1nn(COc3ccccc3F)cc1Cl)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587944629 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944630 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587944632 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944633 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587944636 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n([C@H](COc2cc(F)cc(F)c2)N=O)c1-c1ccccc1 ZINC000587944641 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1-c1ccccc1 ZINC000587944645 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(C)ccc1C(C)C ZINC000587944648 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1-c1ccccc1 ZINC000587944649 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944650 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944655 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944657 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944659 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)ccc1O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000587944667 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587944670 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587944671 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587944673 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944676 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944677 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944679 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944691 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944693 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944696 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944697 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587944698 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587944709 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587944710 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944713 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944714 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944718 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944719 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944721 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587944722 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944726 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587944727 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587944728 KK Annotated Clean CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587944730 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587944732 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587944734 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587944736 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944740 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944741 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944743 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944744 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944745 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1ccc(-c3cccc(F)c3)c(F)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587944748 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cc(C)n(Cc3ccccc3F)n2)c1-c1ccccc1 ZINC000587944764 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587944767 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944770 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944771 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944772 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944774 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944800 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1-c1ccccc1 ZINC000587944801 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944804 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944806 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944808 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944809 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587944820 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587944827 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944845 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944850 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944852 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944853 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944855 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944866 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944868 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944870 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944872 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944874 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944876 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944879 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944881 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944883 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944894 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944896 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944898 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944900 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944901 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944902 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587944903 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944904 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587944905 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944906 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944907 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587944908 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587944933 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944950 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587944951 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944952 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587944953 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587944954 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587944955 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 ZINC000587944982 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2c(Cl)cccc2Cl)c1O ZINC000587944990 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587945007 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccccc2Cl)c1O ZINC000587945031 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945039 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(C)cc2)c1O ZINC000587945041 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945042 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945046 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945047 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945048 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945049 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945050 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945053 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(Br)cc2)c1O ZINC000587945057 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cnc(Cc3ccc(F)cc3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945076 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587945084 KK Annotated Anodyne Cc1ccc(-c2cc3c(n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587945086 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945093 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945096 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945097 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945099 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945102 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945103 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1-c1ccccc1 ZINC000587945105 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1-c1ccccc1 ZINC000587945108 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587945128 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945135 KK Annotated Clean CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945159 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945160 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945169 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945175 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945176 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945177 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945178 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945179 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945180 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945181 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945182 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945183 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945184 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945185 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945190 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O ZINC000587945192 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945197 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945199 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945201 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945202 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945203 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945205 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945208 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945210 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945225 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945229 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945232 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945238 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945239 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945241 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945242 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945244 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945245 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(-c2ccc(F)cc2)cc2c1CC(C)(C)CC2=O ZINC000587945246 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945248 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945250 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O ZINC000587945252 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945257 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945259 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945263 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945264 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945266 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945270 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945274 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945307 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945318 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945322 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2N(C)C(=O)OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945326 KK Annotated Clean COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(-c2ccc(C)cc2)cc2c1CC(C)(C)CC2=O ZINC000587945339 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945345 KK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1 ZINC000587945351 KK Annotated Anodyne CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1 ZINC000587945352 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587945359 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945361 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945368 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F ZINC000587945369 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945386 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945405 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1OCC ZINC000587945426 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945432 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945433 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945437 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945438 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945439 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945440 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945442 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945445 KK Annotated Anodyne CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3nc(S)ncc3C(=O)Nc3cccc(F)c3)c2C1 ZINC000587945448 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCc5ccc(OC)cc5C4)[nH]c3cc21 ZINC000587945454 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4CCc5ccc(OC)cc5C4)[nH]c3cc21 ZINC000587945455 KK Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945461 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945464 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587945466 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945468 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587945471 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587945493 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587945494 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587945502 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587945505 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945517 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1-c1ccccc1 ZINC000587945520 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945521 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945522 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945524 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945538 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(C)ccc1-c1ccc(S(C)(=O)=O)cc1 ZINC000587945539 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945557 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945560 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945564 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945566 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587945570 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945577 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(Cc2cccc3ccccc23)c1OC ZINC000587945578 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945580 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945581 KK Annotated Clean CCCCC1(COc2ccc(O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945583 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945599 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945600 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945601 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945602 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945603 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945604 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945605 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945606 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945607 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945629 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945631 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945634 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2cccc(Br)c2)c1O ZINC000587945635 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945636 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945639 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945640 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945641 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945670 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945688 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587945689 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(C)ccc1-c1ccc(SC)cc1 ZINC000587945700 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945708 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945709 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945710 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945712 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1[C@H](COc1cc(F)cc(F)c1)N=O ZINC000587945714 KK Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1[C@@H](COc1cc(F)cc(F)c1)N=O ZINC000587945715 KK Annotated Clean CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2Oc2c(C)c(C)c3c(c2C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)n1 ZINC000587945724 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1ccc(Oc3ccc4c(c3)CCC4)c(F)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587945732 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945739 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945740 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945741 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945742 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945744 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945754 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1 ZINC000587945756 KK Annotated Anodyne CCCCOc1ccc(OCCCC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587945762 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945778 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC(C)(C)C)cc(-c2ccccc2)c1O ZINC000587945787 KK Annotated Anodyne Cc1cc(-n2c(O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)nn1Cc1ccccc1F ZINC000587945796 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945799 KK Annotated Anodyne Cc1cc(-n2c(O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)nn1Cc1ccccc1F ZINC000587945800 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587945802 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000587945804 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587945806 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945810 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945811 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945812 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945814 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945815 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945816 KK Annotated Anodyne CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OCC ZINC000587945817 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2nn(COc3ccccc3F)cc2Cl)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945818 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945820 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587945822 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945826 KK Annotated Clean CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945833 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945837 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945840 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945841 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945843 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945844 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945845 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945846 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945847 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(Cc2nc3ccccc3n2Cc2cccc(F)c2)c1O ZINC000587945848 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587945849 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945853 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945854 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587945856 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945857 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945858 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945860 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945861 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945862 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945863 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945864 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945868 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OCC ZINC000587945874 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945879 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945880 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945886 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945887 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945888 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945889 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945890 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587945891 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945894 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945895 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945896 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945897 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587945898 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945903 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O ZINC000587945904 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945910 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945911 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945912 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945913 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587945914 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945938 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945939 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945940 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945941 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945942 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587945943 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945952 KK Annotated Clean CCCCC1(COc2ccc(O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587945953 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCc4ccc(OC)cc4C3)[nH]c21 ZINC000587945972 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3CCc4ccc(OC)cc4C3)[nH]c21 ZINC000587945973 KK Annotated Clean CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945976 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945977 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945978 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945979 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945980 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587945983 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945989 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O ZINC000587945990 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1Cc1nc3ccccc3n1Cc1cccc(F)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587945994 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945998 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587945999 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946000 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946001 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946019 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946021 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946023 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946025 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946026 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946050 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946053 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946065 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946097 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946098 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946102 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946103 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587946120 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(N3CCCCC3)ncc2F)c1O ZINC000587946121 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946127 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC(C)(C)C)cc(C(C)C)c1O ZINC000587946146 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1n[nH]c(-c3ccccc3F)n1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946158 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946172 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946173 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(CCC(=O)O)ccc1-c1ccc(C)s1 ZINC000587946181 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946182 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587946184 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946191 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946192 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587946195 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O ZINC000587946196 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946198 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587946200 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946202 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946204 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2nc(N3CCCCC3)ncc2F)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946205 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946216 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946217 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 ZINC000587946218 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 ZINC000587946220 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587946223 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OCc2ccccc2)cc(-c2ccccc2)c1O ZINC000587946228 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946238 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946240 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587946241 KK Annotated Clean COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC)cc(-c2ccccc2)c1OC ZINC000587946244 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(Cl)cc2Cl)c1O ZINC000587946252 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587946262 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O ZINC000587946263 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946267 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587946275 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587946279 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587946281 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O ZINC000587946282 KK Annotated Anodyne CCCCC1(COc2ccc(O)n2-c2cc(C)n(Cc3ccccc3F)n2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O ZINC000587946285 KK Annotated Clean CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c2N(C)C(=O)OC)c1-c1ccccc1 ZINC000587946286 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2n[nH]c(-c3ccccc3F)n2)c1-c1ccccc1 ZINC000587946287 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946289 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1-c1ccccc1 ZINC000587946291 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(Br)cc2)n(-c2nn(COc3ccccc3F)cc2Cl)c1-c1ccccc1 ZINC000587946293 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946296 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946297 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587946299 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(Cl)c(Cl)c2)c1O ZINC000587946300 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccc(-c2cccc(F)c2)c(F)c1 ZINC000587946302 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946306 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946308 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946311 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946312 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946313 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946314 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946316 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946324 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC(C)(C)C)cc(Cc2ccccc2)c1O ZINC000587946325 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946326 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946328 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946330 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587946331 KK Annotated Anodyne CCOC(=O)Cc1c(C(=O)OCC)c(OCC)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1OCC ZINC000587946338 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1OCCCc1ccccc1 ZINC000587946340 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946344 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946347 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946352 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587946355 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587946356 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587946357 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587946358 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1O ZINC000587946359 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946361 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946362 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cc(C)n(Cc2ccccc2F)n1 ZINC000587946364 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946365 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946369 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946370 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946372 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946373 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946375 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946405 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1ccc(Oc3ccc(F)cc3)c(F)c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946423 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946425 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946426 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946432 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946433 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946434 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946435 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946447 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946448 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 ZINC000587946456 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587946462 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1O ZINC000587946463 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946468 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946469 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946470 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946471 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587946472 KK Annotated Anodyne CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OCC ZINC000587946473 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946474 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946475 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946476 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946477 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946478 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946488 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946489 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946490 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946491 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946492 KK Annotated Anodyne CCOc1cc(C(=O)OC(C)(C)C)c(OC(C)(C)C)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946493 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1 ZINC000587946495 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 ZINC000587946504 KK Annotated Clean CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 ZINC000587946505 KK Annotated Clean CCOC(=O)C(C(=O)OCC)c1cc(OCC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OCC ZINC000587946510 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000587946516 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946518 KK Annotated Anodyne CCOc1c(-c2ccccc2)c(-c2ccccc2)c(OCC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 ZINC000587946524 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946531 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946534 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946535 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946537 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946543 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946545 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946547 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946550 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000587946552 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946586 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946595 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946599 KK Annotated Anodyne COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2[C@@H](COc2cc(F)cc(F)c2)N=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587946603 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946608 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946609 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946610 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946611 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587946614 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587946615 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946616 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587946617 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587946619 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946621 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587946623 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946624 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 ZINC000587946625 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946627 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946629 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946630 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3nc(-c4ccc(F)cc4NC(C)=O)cs3)c2O)cc1Br ZINC000587946633 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946642 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946643 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946645 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946646 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946647 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946651 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946655 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946657 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2[C@H](COc2cc(F)cc(F)c2)N=O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946658 KK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)CC2 ZINC000587946661 KK Annotated Bother COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(C)cc2c1CC(C)(C)CC2=O ZINC000587946665 KK Annotated Anodyne COc1ccc(-c2cc(O)n(-c3nn(COc4ccccc4F)cc3Cl)c2O)cc1Br ZINC000587946666 KK Annotated Anodyne CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1nc(N2CCCCC2)ncc1F ZINC000587946667 KK Annotated Anodyne C=CCOc1c(-c2ccccc2)cc(O)n1-c1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1N(C)C(=O)OC ZINC000587946668 KK Annotated Mild COc1ccc2c(c1)C[C@H](c1nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]1)CC2 ZINC000587946671 KK Annotated Bother CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946690 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946692 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946694 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946698 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1nc(N2CCCCC2)ncc1F)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946700 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946701 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946704 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1nc(N3CCCCC3)ncc1F)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946705 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(Cl)cc2)c1O ZINC000587946719 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(-c2cccs2)ccc1-c1cccs1 ZINC000587946769 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(-c2ccc(OC)cc2)cc2c1CC(C)(C)CC2=O ZINC000587946776 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946779 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587946783 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946786 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2-c2n[nH]c(-c3ccccc3F)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587946789 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccccc2Br)c1O ZINC000587946818 KK Annotated Anodyne COc1ccc(-c2cc3c(n2Cc2nc4ccccc4n2Cc2cccc(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587946824 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(CCC(=O)O)ccc1-c1ccccc1 ZINC000587946835 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(OC(C)C)ccc1OC(C)C ZINC000587946845 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946849 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946850 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946851 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946852 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1nn(COc2ccccc2F)cc1Cl ZINC000587946855 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587946859 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2n[nH]c(-c3ccccc3F)n2)c1O ZINC000587946861 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946863 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(CCC(=O)O)ccc1-c1cccs1 ZINC000587946864 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC[C@H](c1ccc(F)cc1)c1ccco1)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946865 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(OC)c(Br)c2)c1O ZINC000587946875 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587946881 KK Annotated Anodyne COc1ccc(-c2cc3c(n2-c2nc(S)ncc2C(=O)Nc2cccc(F)c2)CC(C)(C)CC3=O)cc1 ZINC000587946882 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1n[nH]c(-c2ccccc2F)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946883 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 ZINC000587946907 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(C(C)(C)C)cc2)c1O ZINC000587946912 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C ZINC000587946916 KK Annotated Anodyne COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)cc(-c2ccc(C(C)C)cc2)c1O ZINC000587946918 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946946 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946947 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946948 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946949 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1 ZINC000587946950 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1-c1cnc(Cc3ccc(F)cc3)nc1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587946967 KK Annotated Anodyne COc1ccc2c(c1)C[C@@H](c1nc3cc4c(cc3[nH]1)C1(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc31)CC2 ZINC000587946976 KK Annotated Anodyne COc1ccc2c(c1)C[C@H](c1nc3cc4c(cc3[nH]1)C1(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc31)CC2 ZINC000587946977 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587946992 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587947029 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587947030 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O ZINC000587947031 KK Annotated Anodyne CCCC[C@@]1(Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000587947032 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587947043 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947044 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947045 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587947046 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947047 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947048 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587947049 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587947238 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947239 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947240 KK Annotated Anodyne CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587947241 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1CC1CCN(Cc2ccc(F)cc2)CC1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947242 KK Annotated Anodyne COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2CC2CCN(Cc3ccc(F)cc3)CC2)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000587947363 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O ZINC000587947547 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O ZINC000587947548 KK Annotated Anodyne CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O ZINC000587947608 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1Oc1ccc(O)n1CC1CCN(Cc3ccc(F)cc3)CC1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000587947629 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(O)C[C@@H](O)[C@H](OC(=O)/C=C/c5ccc(O)c(O)c5)[C@H](O)C4)[nH]c3cc21 ZINC000587948331 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]4(O)C[C@@H](O)[C@H](OC(=O)/C=C\c5ccc(O)c(O)c5)[C@H](O)C4)[nH]c3cc21 ZINC000587948335 KK Annotated Clean CCOC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 ZINC000587948360 KK Annotated Anodyne CCCCNS(=O)(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587948377 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587948389 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587948402 KK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587948417 KK Annotated Bother COc1ccc(-c2nnc(-c3ccc4nc(-c5ccccc5C(=O)O[C@@H]5C[C@H](C)CC[C@H]5C(C)C)[nH]c4c3)o2)cc1 ZINC000587948445 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(I)cc2[nH]1 ZINC000587948446 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587948453 KK Annotated Reactive CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587948460 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587948474 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cccc(I)c2[nH]1 ZINC000587948595 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587948601 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587948633 KK Annotated Bother CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587948635 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c21 ZINC000587948637 KK Annotated Clean COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587948653 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587948657 KK Annotated Anodyne COC(=O)c1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587948660 KK Annotated Anodyne COC(=O)c1cc(Br)c2[nH]c(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc2c1 ZINC000587948667 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2c1 ZINC000587948684 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587948779 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c3cc21 ZINC000587948782 KK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587948806 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587948814 KK Annotated Anodyne CCCOc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587948825 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c3cc21 ZINC000587948888 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587949000 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587949001 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c3c2)cc1 ZINC000587949003 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587949055 KK Annotated Anodyne CCCCCCCCOc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587949081 KK Annotated Mild CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587949084 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587949118 KK Annotated Reactive CCCCOc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587949120 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587949139 KK Annotated Anodyne CC(C)CCOc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587949155 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587949176 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587949220 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587949221 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c21 ZINC000587949235 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c21 ZINC000587949236 KK Annotated Clean O=C(O)c1cc2[nH]c(Cc3ccccc3Oc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587949261 KK Annotated Bother O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949280 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587949284 KK Annotated Anodyne CCCCCOc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587949294 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587949333 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587949339 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587949354 KK Annotated Anodyne O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587949380 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3cc21 ZINC000587949445 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3cc21 ZINC000587949446 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587949537 KK Annotated Anodyne CCCCCCCCOc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587949550 KK Annotated Mild CC(C)COc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587949561 KK Annotated Anodyne CC(C)Oc1cc2nc(-c3ccccc3C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[nH]c2cc1Br ZINC000587949598 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(O)C[C@@H](O)[C@H](OC(=O)/C=C/c4ccc(O)c(O)c4)[C@H](O)C3)[nH]c21 ZINC000587949713 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]3(O)C[C@@H](O)[C@H](OC(=O)/C=C\c4ccc(O)c(O)c4)[C@H](O)C3)[nH]c21 ZINC000587949714 KK Annotated Clean CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(I)cnc2[nH]1 ZINC000587949725 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc(-c4ccccc4C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)[nH]c3c2)cc1 ZINC000587949735 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 ZINC000587949800 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C45C[C@H]6C[C@@H](CC(OC(C)=O)(C6)C4)C5)[nH]c3cc21 ZINC000587949950 KK Annotated Clean CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)Nc5ccccc5Cl)cc4[nH]1)(C3)C2 ZINC000587949958 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c21 ZINC000587949975 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C45C[C@H]6C[C@@H](CC(OC(C)=O)(C6)C4)C5)[nH]c3cc21 ZINC000587950003 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3ccccc3Oc3ccccc3)nc1-2 ZINC000587950021 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3ccccc3Oc3ccccc3)nc1-2 ZINC000587950024 KK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)cc4[nH]1)(C3)C2 ZINC000587950032 KK Annotated Bother O=C(O)c1cc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587950077 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccccc3Oc3ccccc3)[nH]c21 ZINC000587950080 KK Annotated Clean CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]1)(C3)C2 ZINC000587950134 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCC(OC[C@H](C)OC)CC4)[nH]c3cc21 ZINC000587950229 KK Annotated Clean O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950230 KK Annotated Anodyne O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950231 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3cc21 ZINC000587950237 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4CCC(OC[C@@H](C)OC)CC4)[nH]c3cc21 ZINC000587950238 KK Annotated Clean O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950239 KK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587950401 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950567 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 ZINC000587950583 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3cc21 ZINC000587950607 KK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)Nc5cccc(C(F)(F)F)c5)cc4[nH]1)(C3)C2 ZINC000587950633 KK Annotated Anodyne FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950716 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 ZINC000587950719 KK Annotated Reactive Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 ZINC000587950741 KK Annotated Anodyne CCCCCCCCOc1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950761 KK Annotated Mild CCCCCCCCOc1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cc1Br ZINC000587950762 KK Annotated Mild CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587950795 KK Annotated Bother CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587950796 KK Annotated Bother CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587950797 KK Annotated Bother CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587950798 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(COC34CC5CC(CC(C5)C3)C4)[nH]c21 ZINC000587950869 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587951004 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccccc3Oc3ccccc3)nc1-2 ZINC000587951008 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc21 ZINC000587951057 KK Annotated Clean CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(S(=O)(=O)Nc5ccc(Cl)cc5)cc4[nH]1)(C3)C2 ZINC000587951060 KK Annotated Anodyne O=C(O)c1cc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587951126 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587951132 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4ccccc4Oc4ccccc4)[nH]c3cc21 ZINC000587951318 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4ccccc4Oc4ccccc4)[nH]c3cc21 ZINC000587951321 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(COC45CC6CC(CC(C6)C4)C5)[nH]c3cc21 ZINC000587951336 KK Annotated Anodyne CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(C(=O)Nc5ccc(F)c(C(F)(F)F)c5)c4[nH]1)(C3)C2 ZINC000587951340 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C34C[C@H]5C[C@@H](CC(OC(C)=O)(C5)C3)C4)[nH]c2cc1Br ZINC000587951353 KK Annotated Mild FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 ZINC000587951428 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc5ccccc5c4)[nH]c3cc21 ZINC000587951472 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587951873 KK Annotated Clean CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587951875 KK Annotated Clean CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587951876 KK Annotated Clean CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587951879 KK Annotated Clean CO[C@@H](C)COC1CCC(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000587952038 KK Annotated Bother CO[C@H](C)COC1CCC(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000587952041 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c21 ZINC000587952061 KK Annotated Clean CO[C@@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587952080 KK Annotated Anodyne CO[C@H](C)COC1CCC(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587952081 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(-c3ccc(OC4CCC4)cc3)nc21 ZINC000587952091 KK Annotated Clean CO[C@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CC1 ZINC000587952126 KK Annotated Anodyne CO[C@@H](C)COC1CCC(c2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CC1 ZINC000587952127 KK Annotated Anodyne C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587952150 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Oc4ccc5ccccc5c4)[nH]c3cc21 ZINC000587952156 KK Annotated Clean CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587952231 KK Annotated Clean CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587952232 KK Annotated Clean CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587952233 KK Annotated Clean CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587952234 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCC(OC[C@H](C)OC)CC3)[nH]c21 ZINC000587952397 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3CCC(OC[C@@H](C)OC)CC3)[nH]c21 ZINC000587952398 KK Annotated Clean CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587952620 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587952621 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587952622 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587952623 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587952630 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587952631 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587952632 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587952633 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587952646 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587952647 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587952648 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587952649 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 ZINC000587952665 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(C(C)(C)C)c3[nH]2)cc1 ZINC000587952671 KK Annotated Anodyne CSc1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c1 ZINC000587952681 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Br)cnc(Br)c3[nH]2)cc1 ZINC000587952740 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)nc2c1 ZINC000587952752 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 ZINC000587952768 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 ZINC000587952771 KK Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)c(Br)cc3[nH]2)cc1 ZINC000587952779 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cc(F)c3[nH]2)cc1 ZINC000587952806 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587952808 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(I)cnc(Cl)c3[nH]2)cc1 ZINC000587952822 KK Annotated Anodyne CC#Cc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587952852 KK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)c(Cl)cc3[nH]2)cc1 ZINC000587952855 KK Annotated Anodyne COc1ccc(-c2nnc(-c3ccc4nc([C@@H](OC(=O)c5ccc(C)cc5)[C@H](OC(=O)c5ccc(C)cc5)C(=O)O)[nH]c4c3)o2)cc1 ZINC000587952862 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587952886 KK Annotated Anodyne CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587952887 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587952888 KK Annotated Anodyne CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587952889 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1 ZINC000587952893 KK Annotated Anodyne CCCCCCCCOc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1Br ZINC000587953134 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c1 ZINC000587953136 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587953153 KK Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(Br)c3[nH]2)cc1 ZINC000587953160 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)cc1 ZINC000587953168 KK Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587953198 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)c(Br)cc3[nH]2)cc1 ZINC000587953207 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)c(F)cc3[nH]2)cc1 ZINC000587953223 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 ZINC000587953238 KK Annotated Anodyne COc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1Cl ZINC000587953239 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)cc(C)c3[nH]2)cc1 ZINC000587953252 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1 ZINC000587953267 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)Oc4ccc5ccccc5c4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587953279 KK Annotated Anodyne CCCCOc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1Br ZINC000587953280 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587953282 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 ZINC000587953286 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc4c(c3[nH]2)CCCC4)cc1 ZINC000587953287 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](OC(=O)c4ccc(C)cc4)[C@H](OC(=O)c4ccc(C)cc4)C(=O)O)[nH]c3cc21 ZINC000587953291 KK Annotated Clean Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 ZINC000587953298 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587953301 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 ZINC000587953318 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 ZINC000587953329 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 ZINC000587953332 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)cc(Br)c3[nH]2)cc1 ZINC000587953335 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 ZINC000587953340 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(C(=O)CCc3ccccc3)nc21 ZINC000587953344 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C#Cc4ccccc4)[nH]c3cc21 ZINC000587953406 KK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)cc1 ZINC000587953433 KK Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587953434 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 ZINC000587953435 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 ZINC000587953443 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587953445 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000587953447 KK Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(F)cc(Br)c3[nH]2)cc1 ZINC000587953448 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 ZINC000587953471 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(C(=O)CCc4ccccc4)nc3cc21 ZINC000587953488 KK Annotated Clean Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(N)nc(-c4nn(Cc5ccccc5F)c5ncccc45)nc3[nH]2)cc1 ZINC000587953508 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 ZINC000587953534 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587953545 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587953555 KK Annotated Anodyne O=C(CCc1ccccc1)c1nc2cc(C(=O)O)c(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)cc2[nH]1 ZINC000587953571 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](OC(=O)c4ccc(C)cc4)[C@H](OC(=O)c4ccc(C)cc4)C(=O)O)[nH]c3cc21 ZINC000587953577 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)cc(F)c3[nH]2)cc1 ZINC000587953587 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 ZINC000587953595 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C#Cc4ccccc4)[nH]c3cc21 ZINC000587953630 KK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1 ZINC000587953709 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)c(F)c3[nH]2)cc1 ZINC000587953719 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 ZINC000587953724 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cc1 ZINC000587953758 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C#Cc3ccccc3)[nH]c21 ZINC000587953786 KK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cc1 ZINC000587953789 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Cl)c(C)c3[nH]2)cc1 ZINC000587953791 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 ZINC000587953794 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1 ZINC000587953803 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 ZINC000587953817 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cc(C)c3[nH]2)cc1 ZINC000587953820 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1 ZINC000587953821 KK Annotated Bother Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 ZINC000587953822 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 ZINC000587953830 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 ZINC000587953837 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)cc3[nH]2)cc1 ZINC000587953838 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 ZINC000587953839 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)c(F)cc3[nH]2)cc1 ZINC000587953841 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H](OC(=O)c4ccc(C)cc4)[C@H](OC(=O)c4ccc(C)cc4)C(=O)O)[nH]c3c2)cc1 ZINC000587953842 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)cc1 ZINC000587953847 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(OC(C)C)cc3[nH]2)cc1 ZINC000587953850 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C)cc(Br)c3[nH]2)cc1 ZINC000587953882 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587953883 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)cc1 ZINC000587953890 KK Annotated Mild CCCCCOc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1Br ZINC000587953893 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 ZINC000587953903 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c21 ZINC000587953912 KK Annotated Clean COC(=O)c1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2c(F)c1Nc1ccccc1 ZINC000587953914 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587953917 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3[nH]c(C(=O)CCc4ccccc4)nc3cc21 ZINC000587953927 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 ZINC000587953928 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3c(Br)ccc(Br)c3[nH]2)cc1 ZINC000587953940 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(F)c(Br)c3[nH]2)cc1 ZINC000587953946 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 ZINC000587953950 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587953953 KK Annotated Anodyne CC#Cc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587953954 KK Annotated Mild Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)cc1 ZINC000587953970 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 ZINC000587953977 KK Annotated Reactive Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1 ZINC000587953982 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)cc1 ZINC000587953984 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 ZINC000587953989 KK Annotated Anodyne CCCOc1cc2nc([C@@H](OC(=O)c3ccc(C)cc3)[C@H](OC(=O)c3ccc(C)cc3)C(=O)O)[nH]c2cc1Br ZINC000587953991 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)c(C)c3[nH]2)cc1 ZINC000587953993 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(Br)cc(Cl)c3[nH]2)cc1 ZINC000587954006 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 ZINC000587954015 KK Annotated Clean Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(C#N)cc(Br)c3[nH]2)cc1 ZINC000587954048 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc([C@@H](OC(=O)c4ccc(C)cc4)[C@H](OC(=O)c4ccc(C)cc4)C(=O)O)[nH]c3c2)cc1 ZINC000587954052 KK Annotated Anodyne Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1 ZINC000587954055 KK Annotated Anodyne C=CCC(C)(C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587954057 KK Annotated Mild C=CCC(C)(C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587954075 KK Annotated Mild C=CC(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587954227 KK Annotated Mild C=CC(C)(C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587954239 KK Annotated Mild C=CCC(C)(C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587954398 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C(C)(C)c4ccccc4C)[nH]c3cc21 ZINC000587954629 KK Annotated Anodyne CC[C@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587954688 KK Annotated Clean CC[C@@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587954689 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587954763 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587954769 KK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)cc1 ZINC000587954921 KK Annotated Anodyne CCC[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000587955012 KK Annotated Clean CCC[C@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000587955015 KK Annotated Anodyne CCC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)C(C)C ZINC000587955016 KK Annotated Anodyne CCC[C@H](c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000587955017 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)c3ccccc3C)[nH]c21 ZINC000587955035 KK Annotated Clean CCC[C@@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000587955119 KK Annotated Clean CCC[C@H](c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)C(C)C ZINC000587955120 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587955195 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3cc21 ZINC000587955196 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587955235 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587955236 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)c4ccccc4C)[nH]c3cc21 ZINC000587955294 KK Annotated Clean CCCCCCCCOc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955578 KK Annotated Mild CCCCCCCCOc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1Br ZINC000587955580 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c21 ZINC000587955834 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c21 ZINC000587955835 KK Annotated Clean Cc1ccccc1C(C)(C)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587955961 KK Annotated Bother CC[C@H](C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587955964 KK Annotated Clean CC[C@@H](C)c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587955965 KK Annotated Clean O=C(O)c1cc2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587956086 KK Annotated Bother O=C(O)c1cc2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587956087 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC(C)(C)CC(=O)O)[nH]c3cc21 ZINC000587956089 KK Annotated Clean FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956117 KK Annotated Reactive FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 ZINC000587956118 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC(C)(C)CC(=O)O)[nH]c21 ZINC000587956131 KK Annotated Clean C=CC(C)(C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587956172 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC(C)(C)CC(=O)O)[nH]c3cc21 ZINC000587956347 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587956770 KK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587956772 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587956783 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc1-2 ZINC000587956784 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc1-2 ZINC000587956786 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587956807 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)c(C)nc2[nH]1 ZINC000587956812 KK Annotated Mild O=C(O)CCCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587956816 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587956820 KK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587956825 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587956827 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c21 ZINC000587956842 KK Annotated Clean COC(=O)c1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587956846 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587956862 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCCCCCCCCCC(=O)O)[nH]c3cc21 ZINC000587956869 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587956872 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587956874 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587956875 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587956879 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587956890 KK Annotated Anodyne CC#CCCCCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587956896 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587956901 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587956903 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587956909 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587956922 KK Annotated Anodyne CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587956934 KK Annotated Clean CC#CCCCCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587956949 KK Annotated Mild CCc1ccc(C(=O)CCc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)cc1 ZINC000587956961 KK Annotated Anodyne CC[C@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587957070 KK Annotated Anodyne CC[C@@H](C)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587957071 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587957095 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587957096 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1 ZINC000587957097 KK Annotated Anodyne CCCCOc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1Br ZINC000587957098 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587957116 KK Annotated Mild Cc1c(NS(=O)(=O)c2ccc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587957119 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587957120 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587957137 KK Annotated Anodyne CCCOc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1Br ZINC000587957139 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(I)c2[nH]1 ZINC000587957140 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587957156 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(CCCCCCCCCCCCC(=O)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587957165 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587957168 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587957169 KK Annotated Anodyne CC#CCCCCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587957184 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587957202 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587957205 KK Annotated Mild O=C(O)CCCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587957211 KK Annotated Reactive CCc1ccc(C(=O)CCc2nc3ccc4c(c3[nH]2)C(=O)OC42c3ccc(N(CC)CC)cc3Oc3cc(N(CC)CC)ccc32)cc1 ZINC000587957215 KK Annotated Clean CC(C)CCCCCCCCCCCCCCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587957219 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587957232 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587957233 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587957246 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Br)c(C)c2[nH]1 ZINC000587957248 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587957267 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587957271 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587957284 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587957285 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587957287 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587957333 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)c(Br)cc2[nH]1 ZINC000587957335 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587957337 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587957343 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587957344 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587957358 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587957359 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587957366 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587957367 KK Annotated Anodyne CC#CCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587957372 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCCCCCCCCCC(=O)O)[nH]c3cc21 ZINC000587957404 KK Annotated Clean CCN(CC)S(=O)(=O)c1ccc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1 ZINC000587957417 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587957435 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587957448 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587957449 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587957479 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587957482 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c3cc21 ZINC000587957484 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587957496 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587957499 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587957502 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587957511 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587957515 KK Annotated Mild CCCCCCCCOc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1Br ZINC000587957530 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c3c2)cc1 ZINC000587957543 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587957549 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587957553 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587957556 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587957565 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587957568 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587957571 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587957573 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(C)c(Br)cnc2[nH]1 ZINC000587957575 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587957650 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587957673 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc(C)c2[nH]1 ZINC000587957674 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c3c2)cc1 ZINC000587957675 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587957692 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587957693 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587957695 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587957696 KK Annotated Clean CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587957715 KK Annotated Anodyne CCCCCOc1cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2cc1Br ZINC000587957724 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587957726 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587957732 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587957733 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587957735 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 ZINC000587957736 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587957738 KK Annotated Clean CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587957739 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587957740 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCCCCCCCCCC(=O)O)[nH]c21 ZINC000587957742 KK Annotated Clean CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587957758 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c3cc21 ZINC000587957760 KK Annotated Clean CC(C)CCCCCCCCCCCCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587957765 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587957779 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CCCCCCCCCCCCC(=O)O)nc1-2 ZINC000587957785 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587957786 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587957787 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587957789 KK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587957811 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587957812 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587957814 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Br)c(O)c2[nH]1 ZINC000587957815 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587957817 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587957822 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C)cc(Br)c2[nH]1 ZINC000587957823 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587957831 KK Annotated Anodyne COc1ccccc1NS(=O)(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 ZINC000587957832 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587957833 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587957834 KK Annotated Anodyne CCOC(=O)c1cc(Br)c2[nH]c(CCCCCCCCCCCCCCCCCC(C)C)nc2c1 ZINC000587957839 KK Annotated Anodyne Cc1c(Br)cc2nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c2c1C ZINC000587957847 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587957851 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587957852 KK Annotated Mild CC(C)CCCCCCCCCCCCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587957853 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587957854 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587957868 KK Annotated Bother CC(C)CCCCCCCCCCCCCCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587957873 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587957875 KK Annotated Anodyne CC1=C(c2ccc3nc(CCCCCCCCCCCCCCCCCC(C)C)[nH]c3c2)NNC(=O)C1 ZINC000587957878 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587957888 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587957893 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587957894 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587957898 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587957899 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587958099 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587958100 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587958101 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587958102 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587958113 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587958114 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587958115 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587958116 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587958119 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587958120 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587958121 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587958122 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587958182 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(F)cc(Br)c2[nH]1 ZINC000587958183 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587958194 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587958195 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587958196 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587958197 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587958209 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587958210 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587958211 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(=O)OC)cc(Br)c2[nH]1 ZINC000587958212 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587958213 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587958214 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587958215 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587958216 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587958221 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587958222 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587958223 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCCC)c(Br)cc2[nH]1 ZINC000587958224 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587958255 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587958256 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587958257 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 ZINC000587958258 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587958269 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587958270 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587958277 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587958278 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587958279 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587958280 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587958281 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587958282 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587958291 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587958292 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587958307 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587958308 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587958335 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587958336 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587958345 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587958346 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587958347 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587958348 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587958355 KK Annotated Reactive CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587958356 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587958373 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587958374 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587958385 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587958386 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587958387 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587958388 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccccc3-c3ccccc3)[nH]c21 ZINC000587958411 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4cc(C)ccc4C)[nH]c3cc21 ZINC000587958468 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3ccccc3-c3ccccc3)nc1-2 ZINC000587958484 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587958489 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587958490 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587958492 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)c(C)c(C)c2[nH]1 ZINC000587958493 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587958510 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587958515 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587958528 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587958529 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587958530 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCCCCC)c(Br)cc2[nH]1 ZINC000587958531 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587958534 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587958535 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587958536 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587958537 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587958538 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587958539 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587958540 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Oc3ccc(C(=O)OC)cc3)cc2[nH]1 ZINC000587958541 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587958550 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587958551 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587958552 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587958553 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587958562 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587958563 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587958568 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587958569 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587958574 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587958575 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587958576 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(-c3nnc(-c4ccc(OC)cc4)o3)cc2[nH]1 ZINC000587958577 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587958594 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587958598 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587958599 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5ccccc5C)cc4)[nH]c3cc21 ZINC000587958611 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC3CC3)[nH]c21 ZINC000587958677 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c21 ZINC000587958682 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587958737 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587958758 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587958762 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587958763 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 ZINC000587958765 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587958794 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587958798 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587958799 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587958800 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587958809 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587958811 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587958812 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587958815 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587958854 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587958858 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587958859 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587958860 KK Annotated Anodyne O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 ZINC000587958881 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC4CC4)[nH]c3cc21 ZINC000587958907 KK Annotated Clean CCCCCCCCOc1cc2nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587958944 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c2cc1Br ZINC000587958946 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@]4(CC)CC(=O)c5ccccc5C4)[nH]c3cc21 ZINC000587958947 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@]4(CC)CC(=O)c5ccccc5C4)[nH]c3cc21 ZINC000587958950 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c21 ZINC000587958975 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c21 ZINC000587958976 KK Annotated Clean Cc1ccccc1-c1ccc(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)cc1 ZINC000587959015 KK Annotated Anodyne Cc1ccccc1-c1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 ZINC000587959016 KK Annotated Reactive CC[C@@]1(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC(=O)c2ccccc2C1 ZINC000587959056 KK Annotated Anodyne CC[C@]1(Cc2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC(=O)c2ccccc2C1 ZINC000587959058 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587959087 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587959088 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587959099 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587959101 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587959102 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587959103 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587959105 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587959111 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587959112 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1 ZINC000587959114 KK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587959116 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587959120 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587959134 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587959135 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587959136 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587959137 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587959148 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000587959149 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587959154 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587959155 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587959160 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587959161 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587959162 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587959163 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587959171 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587959172 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587959173 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587959174 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587959177 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587959178 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587959184 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587959185 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587959186 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587959187 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587959188 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587959189 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4-c4ccccc4)[nH]c3cc21 ZINC000587959219 KK Annotated Anodyne O=C(O)c1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587959253 KK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587959290 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587959293 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587959296 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587959297 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587959310 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587959311 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587959312 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587959313 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccccc4-c4ccccc4)[nH]c3cc21 ZINC000587959333 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587959362 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587959368 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587959371 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1 ZINC000587959374 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587959389 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587959391 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587959393 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587959395 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587959397 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587959401 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587959404 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587959408 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587959410 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587959419 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587959422 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587959428 KK Annotated Clean CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587959456 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587959462 KK Annotated Mild O=C(O)c1cc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587959501 KK Annotated Bother CC[C@]1(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959503 KK Annotated Anodyne CC[C@@]1(Cc2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587959506 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587959604 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587959605 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587959606 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587959607 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587959614 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(F)c(Br)c2[nH]1 ZINC000587959615 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587959628 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587959629 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587959630 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587959631 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587959634 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 ZINC000587959635 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587959638 KK Annotated Reactive CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587959639 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587959640 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 ZINC000587959641 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587959644 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587959645 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587959646 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587959647 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587959650 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587959651 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587959652 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(I)cnc2[nH]1 ZINC000587959653 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587959677 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587959678 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3cc(C)ccc3C)[nH]c21 ZINC000587959704 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587959715 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587959716 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587959717 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587959718 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587959719 KK Annotated Reactive CC[C@]1(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CC(=O)c2ccccc2C1 ZINC000587959774 KK Annotated Anodyne CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)C2(OC4=O)c3ccc(OC(C)=O)cc3Oc3cc(OC(C)=O)ccc32)CC(=O)c2ccccc2C1 ZINC000587959780 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c21 ZINC000587959896 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587960011 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587960013 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587960014 KK Annotated Reactive CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960035 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960037 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960040 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1 ZINC000587960045 KK Annotated Bother CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587960072 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 ZINC000587960078 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587960091 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 ZINC000587960093 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587960167 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587960168 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587960169 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 ZINC000587960170 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587960201 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587960204 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587960206 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587960207 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587960208 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587960211 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587960213 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587960215 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cc(C)ccc4C)[nH]c3cc21 ZINC000587960241 KK Annotated Clean CCCCCCCCOc1cc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2cc1Br ZINC000587960254 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(-c5ccccc5C)cc4)[nH]c3cc21 ZINC000587960339 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3cc21 ZINC000587960367 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(Cc3ccc(CC(=O)O)cc3)[nH]c21 ZINC000587960400 KK Annotated Clean CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587960408 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587960414 KK Annotated Mild CC[C@]1(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960416 KK Annotated Anodyne CC[C@@]1(Cc2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587960428 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587960515 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)c(F)cc2[nH]1 ZINC000587960516 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587960519 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587960524 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587960528 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587960530 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587960532 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587960547 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587960549 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCCCCCCCC)c(Br)cc2[nH]1 ZINC000587960551 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587960553 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587960557 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587960558 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587960561 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587960571 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587960573 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587960576 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587960583 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587960624 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587960625 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587960627 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCCCC)c(Br)cc2[nH]1 ZINC000587960629 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587960651 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587960652 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587960685 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(Br)cc(F)c2[nH]1 ZINC000587960687 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC4CCCCCC4)[nH]c3cc21 ZINC000587960713 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H]4CCC(=O)[C@@H]4C)[nH]c3cc21 ZINC000587960840 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H]4CCC(=O)[C@H]4C)[nH]c3cc21 ZINC000587960841 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CCC(=O)[C@@H]4C)[nH]c3cc21 ZINC000587960842 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CCC(=O)[C@H]4C)[nH]c3cc21 ZINC000587960844 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587960885 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587960886 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587960888 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587960893 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(I)c2[nH]1 ZINC000587960896 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(I)c2[nH]1 ZINC000587960899 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(I)c2[nH]1 ZINC000587960902 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(I)c2[nH]1 ZINC000587960904 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587960908 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587960909 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587960910 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1 ZINC000587960914 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587961108 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587961110 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587961113 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587961116 KK Annotated Bother CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587961234 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587961244 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587961245 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 ZINC000587961246 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587961251 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587961256 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587961258 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587961261 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587961323 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587961326 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC3CCCCCC3)[nH]c21 ZINC000587961332 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587961339 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587961342 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587961344 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 ZINC000587961346 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC4CCC(C)(C)CC4)[nH]c3cc21 ZINC000587961370 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587961408 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587961409 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961418 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961419 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961420 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C#N)cc(Br)c2[nH]1 ZINC000587961421 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587961422 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587961431 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587961502 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587961503 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587961504 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587961506 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587961525 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587961527 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587961534 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587961555 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587961568 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587961570 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587961573 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587961576 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587961594 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(Cc4ccccc4-c4ccccc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587961596 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587961607 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587961609 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3cc21 ZINC000587961610 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587961612 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC4CCCCCC4)[nH]c3cc21 ZINC000587961738 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587961870 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587961871 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587961873 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587961876 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587961881 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 ZINC000587961883 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587961949 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587961952 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587961953 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587961954 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587961964 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587961968 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587961969 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587961970 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961972 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961977 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961979 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587961982 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cccc(I)c2[nH]1 ZINC000587961988 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cccc(I)c2[nH]1 ZINC000587961998 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587962011 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(Cc4cccc(-c5ccccc5)c4)[nH]c3cc21 ZINC000587962012 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587962015 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587962017 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587962018 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587962020 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(I)cc2[nH]1 ZINC000587962023 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587962043 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Br)c(F)c2[nH]1 ZINC000587962046 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587962056 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587962058 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587962061 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(=O)OC)c(Nc3ccccc3)c(F)c2[nH]1 ZINC000587962063 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587962065 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587962073 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587962145 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587962151 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3cc21 ZINC000587962158 KK Annotated Anodyne CC[C@@]1(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962173 KK Annotated Bother CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587962177 KK Annotated Mild CC[C@]1(Cc2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962179 KK Annotated Bother CC[C@@]1(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962185 KK Annotated Reactive CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 ZINC000587962188 KK Annotated Mild CC[C@]1(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 ZINC000587962190 KK Annotated Reactive CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587962255 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(C)C)c(Br)cc2[nH]1 ZINC000587962258 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587962309 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587962312 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587962327 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(Cl)c2[nH]1 ZINC000587962330 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587962334 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 ZINC000587962338 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587962377 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587962380 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587962382 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 ZINC000587962384 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587962409 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 ZINC000587962414 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587962422 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587962426 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587962428 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 ZINC000587962430 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587962433 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587962435 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587962437 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 ZINC000587962438 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587962458 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587962460 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587962462 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587962464 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587962466 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587962471 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587962472 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587962473 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587962482 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587962483 KK Annotated Mild COC(=O)c1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587962531 KK Annotated Mild COC(=O)c1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c(F)c1Nc1ccccc1 ZINC000587962535 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962537 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962541 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962543 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(F)cnc(Br)c2[nH]1 ZINC000587962545 KK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587962558 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)ccc(Br)c2[nH]1 ZINC000587962560 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587962582 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)cnc(Br)c2[nH]1 ZINC000587962583 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587962584 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 ZINC000587962585 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587962593 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 ZINC000587962596 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587962600 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587962601 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587962602 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587962608 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC[C@@H](C)CC(=O)O)[nH]c3cc21 ZINC000587962611 KK Annotated Clean CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587962659 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 ZINC000587962662 KK Annotated Mild Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(Cc3cccc(-c4ccccc4)c3)nc1-2 ZINC000587962740 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3cc21 ZINC000587962797 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587962850 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587962852 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 ZINC000587962854 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587962856 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587962864 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587962869 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587962871 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 ZINC000587962875 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587962881 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587962891 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587962894 KK Annotated Clean CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587962897 KK Annotated Clean CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587962904 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 ZINC000587962908 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](C)CCC(=O)O)[nH]c3cc21 ZINC000587962928 KK Annotated Clean CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587962938 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 ZINC000587962948 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587962990 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587962991 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587962993 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 ZINC000587962995 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587963001 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587963003 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587963006 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587963011 KK Annotated Anodyne CCCCCCCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1Br ZINC000587963021 KK Annotated Mild CCCCCCCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1Br ZINC000587963026 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587963035 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000587963037 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587963058 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 ZINC000587963060 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963062 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587963070 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587963094 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587963096 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587963098 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587963101 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587963108 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587963111 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587963139 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 ZINC000587963140 KK Annotated Mild CCCCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1Br ZINC000587963147 KK Annotated Mild CCCCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1Br ZINC000587963148 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)nc2c1 ZINC000587963156 KK Annotated Mild CCOC(=O)c1cc(Br)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)nc2c1 ZINC000587963157 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587963187 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 ZINC000587963188 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC[C@@H](C)CC(=O)O)[nH]c21 ZINC000587963207 KK Annotated Clean CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963212 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(F)c(F)c2[nH]1 ZINC000587963213 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587963246 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 ZINC000587963248 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587963253 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 ZINC000587963254 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587963258 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 ZINC000587963261 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CC4CCC(C)(C)CC4)[nH]c3cc21 ZINC000587963273 KK Annotated Clean CCCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1Br ZINC000587963302 KK Annotated Mild CCCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1Br ZINC000587963307 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(CC[C@@H](C)CC(=O)O)[nH]c3cc21 ZINC000587963347 KK Annotated Anodyne CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587963358 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Br)cnc(Cl)c2[nH]1 ZINC000587963359 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587963390 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(Cl)c(Br)cnc2[nH]1 ZINC000587963391 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587963395 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)c(Br)cc2[nH]1 ZINC000587963396 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587963405 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c21 ZINC000587963409 KK Annotated Clean CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 ZINC000587963410 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c21 ZINC000587963411 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c21 ZINC000587963414 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c21 ZINC000587963415 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](C)CCC(=O)O)[nH]c3cc21 ZINC000587963417 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](C)CCC(=O)O)[nH]c21 ZINC000587963426 KK Annotated Clean CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587963505 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 ZINC000587963517 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587963520 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(Br)cc(C(=O)O)c2[nH]1 ZINC000587963522 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)nc2c1 ZINC000587963548 KK Annotated Mild COC(=O)c1cc(Br)c2[nH]c(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)nc2c1 ZINC000587963555 KK Annotated Mild CCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2cc1Br ZINC000587963560 KK Annotated Mild CCCOc1cc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2cc1Br ZINC000587963562 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587963564 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 ZINC000587963567 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4CCC(=O)[C@H]4C)[nH]c3cc21 ZINC000587963696 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H]4CCC(=O)[C@@H]4C)[nH]c3cc21 ZINC000587963697 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CCC(=O)[C@H]4C)[nH]c3cc21 ZINC000587963698 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@@H]4CCC(=O)[C@@H]4C)[nH]c3cc21 ZINC000587963699 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CC3CCC(C)(C)CC3)[nH]c21 ZINC000587963964 KK Annotated Clean CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587964503 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 ZINC000587964504 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587964513 KK Annotated Reactive CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 ZINC000587964514 KK Annotated Reactive COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587964518 KK Annotated Mild COc1ccccc1NS(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587964519 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587964571 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O ZINC000587964572 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587964573 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 ZINC000587964574 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587964583 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 ZINC000587964584 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C=C4CCC4)[nH]c3cc21 ZINC000587964589 KK Annotated Clean CCCC/C=C/c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587964635 KK Annotated Clean CCCC/C=C\c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587964638 KK Annotated Clean CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587964680 KK Annotated Reactive CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 ZINC000587964683 KK Annotated Reactive CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[nH]c3cc21 ZINC000587964711 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@@H]5C(C)(C)CCC[C@]45C)[nH]c3cc21 ZINC000587964715 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587964744 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 ZINC000587964747 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587964812 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 ZINC000587964815 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587964837 KK Annotated Mild Cc1ccc(C(=O)/C=C\c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587964865 KK Annotated Mild Cc1ccc(C(=O)/C=C/c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 ZINC000587964866 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 ZINC000587964903 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@@H]5C(C)(C)CCC[C@]45C)[nH]c3c2)cc1 ZINC000587964945 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[nH]c3c2)cc1 ZINC000587964948 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000587964986 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000587964987 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(I)c2[nH]1 ZINC000587965150 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cccc(I)c2[nH]1 ZINC000587965155 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](C)CC[C@H]5C(C)=CC(=O)[C@@H]6C(C)(C)CCC[C@]56C)[nH]c4c3)o2)cc1 ZINC000587965212 KK Annotated Mild COc1ccc(-c2nnc(-c3ccc4nc(C[C@H](C)CC[C@H]5C(C)=CC(=O)[C@H]6C(C)(C)CCC[C@@]65C)[nH]c4c3)o2)cc1 ZINC000587965215 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587965261 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 ZINC000587965266 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(I)cnc2[nH]1 ZINC000587965268 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(I)cnc2[nH]1 ZINC000587965269 KK Annotated Mild CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C=C4CCC4)[nH]c3cc21 ZINC000587965307 KK Annotated Anodyne COC(=O)c1ccc(Oc2ccc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[nH]c3c2)cc1 ZINC000587965436 KK Annotated Mild COC(=O)c1ccc(Oc2ccc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@@H]5C(C)(C)CCC[C@]45C)[nH]c3c2)cc1 ZINC000587965437 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587965457 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(Sc3ccccc3)cc2[nH]1 ZINC000587965459 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(I)cc2[nH]1 ZINC000587965469 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(I)cc2[nH]1 ZINC000587965470 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587965492 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 ZINC000587965493 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c21 ZINC000587965495 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c21 ZINC000587965496 KK Annotated Mild CC/C(=C\c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)c1ccc(C)cc1 ZINC000587965515 KK Annotated Clean CC/C(=C/c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)c1ccc(C)cc1 ZINC000587965516 KK Annotated Clean CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587965609 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587965618 KK Annotated Mild CCCC/C=C/c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587965659 KK Annotated Anodyne CCCC/C=C\c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 ZINC000587965661 KK Annotated Anodyne CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587965748 KK Annotated Mild CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587965751 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@@H]4C(C)(C)CCC[C@]34C)[nH]c2c1 ZINC000587965753 KK Annotated Mild CCCCNS(=O)(=O)c1ccc2nc(C[C@H](C)CC[C@H]3C(C)=CC(=O)[C@H]4C(C)(C)CCC[C@@]43C)[nH]c2c1 ZINC000587965754 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@H]5C(C)(C)CCC[C@@]54C)[nH]c3cc21 ZINC000587965786 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C[C@H](C)CC[C@H]4C(C)=CC(=O)[C@@H]5C(C)(C)CCC[C@]45C)[nH]c3cc21 ZINC000587965787 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587965810 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587965837 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587965844 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 ZINC000587965846 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C=C3CCC3)[nH]c21 ZINC000587965851 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C\C(=O)c3ccc(C)cc3)[nH]c21 ZINC000587965854 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/C(=O)c3ccc(C)cc3)[nH]c21 ZINC000587965857 KK Annotated Mild CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587965867 KK Annotated Mild CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2c(I)cnc(Cl)c2[nH]1 ZINC000587965872 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\C(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000587966242 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/C(=O)c4ccc(C)cc4)[nH]c3cc21 ZINC000587966249 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C(\C)C3CCCCC3)[nH]c21 ZINC000587966308 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C(/C)C3CCCCC3)[nH]c21 ZINC000587966314 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CC=CC[C@H]4C)[nH]c3cc21 ZINC000587966316 KK Annotated Anodyne CCCC/C=C/c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587966528 KK Annotated Clean CCCC/C=C\c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21 ZINC000587966529 KK Annotated Clean Cc1c(NS(=O)(=O)c2ccc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587966576 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C(/C)C4CCCCC4)[nH]c3cc21 ZINC000587966734 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C(\C)C4CCCCC4)[nH]c3cc21 ZINC000587966735 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(/C=C/C=C\C(=O)O)nc21 ZINC000587966763 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1[nH]c(/C=C/C=C/C(=O)O)nc21 ZINC000587966765 KK Annotated Clean O=C(O)c1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587967011 KK Annotated Bother O=C(O)c1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587967013 KK Annotated Bother CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5C=C[C@@H]4C5)[nH]c3cc21 ZINC000587967020 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3cc21 ZINC000587967129 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C(/C)C4CCCCC4)[nH]c3cc21 ZINC000587967401 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C(\C)C4CCCCC4)[nH]c3cc21 ZINC000587967404 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C=C3C4CC5CC(C4)CC3C5)[nH]c21 ZINC000587967407 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C(\C)CCC=C(C)C)[nH]c3cc21 ZINC000587967597 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c21 ZINC000587967600 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C(/C)CCC=C(C)C)[nH]c3cc21 ZINC000587967601 KK Annotated Clean C/C(=C\c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C1CCCCC1 ZINC000587967691 KK Annotated Anodyne C/C(=C/c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)C1CCCCC1 ZINC000587967702 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4C[C@H]5C=C[C@@H]4C5)[nH]c3cc21 ZINC000587967878 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C/c4cccc5ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587967885 KK Annotated Anodyne Cc1c(NS(=O)(=O)c2ccc3nc(/C=C\c4cccc5ccccc45)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587967892 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CC=CC[C@H]4C)[nH]c3cc21 ZINC000587967926 KK Annotated Clean CC/C(=C/c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)c1ccc(C)cc1 ZINC000587967976 KK Annotated Anodyne CC/C(=C\c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21)c1ccc(C)cc1 ZINC000587967977 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C=C3C4CC5CC(C4)CC3C5)nc1-2 ZINC000587967985 KK Annotated Anodyne CC/C(=C\c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587967996 KK Annotated Bother CC/C(=C/c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1)c1ccc(C)cc1 ZINC000587967997 KK Annotated Bother Cc1c(NS(=O)(=O)c2ccc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C ZINC000587968127 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CC=CC[C@H]3C)[nH]c21 ZINC000587968142 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/c4cccc5ccccc45)[nH]c3cc21 ZINC000587968260 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C\c4cccc5ccccc45)[nH]c3cc21 ZINC000587968264 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c21 ZINC000587968395 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3cc21 ZINC000587968405 KK Annotated Anodyne O=C(O)c1cc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587968465 KK Annotated Bother CC/C(=C\c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1ccc(C)cc1 ZINC000587968517 KK Annotated Anodyne CC/C(=C/c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1)c1ccc(C)cc1 ZINC000587968527 KK Annotated Anodyne CC/C(=C/c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)c1ccc(C)cc1 ZINC000587968594 KK Annotated Clean CC/C(=C\c1nc2ccc3c(c2[nH]1)C(=O)OC31c2ccc(N(CC)CC)cc2Oc2cc(N(CC)CC)ccc21)c1ccc(C)cc1 ZINC000587968599 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\c4cccc5ccccc45)[nH]c3cc21 ZINC000587968712 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/c4cccc5ccccc45)[nH]c3cc21 ZINC000587968713 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C(\C)CCC=C(C)C)[nH]c3cc21 ZINC000587968784 KK Annotated Anodyne CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C(/C)CCC=C(C)C)[nH]c3cc21 ZINC000587968785 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C(/C)CCC=C(C)C)[nH]c21 ZINC000587968835 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C(\C)CCC=C(C)C)[nH]c21 ZINC000587968836 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CC[C@@H](C(C)(C)C)C4)[nH]c3cc21 ZINC000587968880 KK Annotated Clean CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(C=C4C5CC6CC(C5)CC4C6)[nH]c3cc21 ZINC000587968906 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3cc21 ZINC000587968983 KK Annotated Clean Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C/c3cccc4ccccc34)nc1-2 ZINC000587969122 KK Annotated Anodyne Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(/C=C\c3cccc4ccccc34)nc1-2 ZINC000587969123 KK Annotated Anodyne CC/C(=C/c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)c1ccc(C)cc1 ZINC000587969160 KK Annotated Anodyne CC/C(=C\c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1)c1ccc(C)cc1 ZINC000587969165 KK Annotated Anodyne CC(C)=CCC/C(C)=C/c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587969261 KK Annotated Anodyne CC(C)=CCC/C(C)=C\c1nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[nH]1 ZINC000587969262 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CC[C@@H](C(C)(C)C)C3)[nH]c21 ZINC000587969633 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c3cc21 ZINC000587969886 KK Annotated Clean O=C(O)c1cc2[nH]c([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 ZINC000587969976 KK Annotated Bother CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@]45C[C@H]6C[C@@H](C4)C(=O)[C@H](C6)C5)[nH]c3cc21 ZINC000587970009 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(/C=C/C=C\C(=O)O)nc3cc21 ZINC000587970026 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3[nH]c(/C=C/C=C/C(=O)O)nc3cc21 ZINC000587970029 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c21 ZINC000587970624 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3cc21 ZINC000587970845 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4[C@H](C(=O)O)[C@@H]4C(=O)O)[nH]c3cc21 ZINC000587970846 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C4[C@H](C(=O)O)[C@H]4C(=O)O)[nH]c3cc21 ZINC000587970849 KK Annotated Clean O=C1CCC(c2ccccc2)(c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC1 ZINC000587971055 KK Annotated Bother O=C1CCC(c2ccccc2)(c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)CC1 ZINC000587971274 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c21 ZINC000587971282 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c21 ZINC000587971283 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c21 ZINC000587971284 KK Annotated Clean COCCCc1ccccc1-c1ccc([C@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031003 KK Annotated Anodyne COCCCc1ccccc1-c1ccc([C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c(C)c1 ZINC000059031006 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](CN)c3ccc(-c4ccccc4Cl)cc3Cl)cc2)c(Cl)c1 ZINC000059031248 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc(C[C@H](CN)c3ccc(-c4ccccc4Cl)cc3Cl)cc2)c(Cl)c1 ZINC000059031250 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(OCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033258 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(OCC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033260 KK Annotated Anodyne CCCC[C@@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(OC)cc1OC)=C1C(=O)OC(C)(C)OC1=O ZINC000059033284 KK Annotated Anodyne CCCC[C@H](CC)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(OC)cc1OC)=C1C(=O)OC(C)(C)OC1=O ZINC000059033286 KK Annotated Anodyne CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2C)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCCC)cc1 ZINC000059033297 KK Annotated Anodyne CCCCCc1ccc(CN(C(Nc2ccc(N(C)C)cc2C)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCCC)cc1 ZINC000059033299 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CCC(C)C)cc2)C(CC(C)C)CC(C)C)c(OC)c1 ZINC000059033301 KK Annotated Anodyne CC(C)Cc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@@H](C)CCCC(C)(C)O)cc1 ZINC000059033307 KK Annotated Anodyne CC(C)Cc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)[C@H](C)CCCC(C)(C)O)cc1 ZINC000059033309 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033314 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1ccc(C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033315 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@H](C)CCCC(C)C)c(OC)c1 ZINC000059033317 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(CC(C)C)cc2)[C@@H](C)CCCC(C)C)c(OC)c1 ZINC000059033318 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033355 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033356 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1ccc(OCCCC)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033357 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1ccc(OCCCC)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033358 KK Annotated Anodyne CC(C)CCc1ccc(CN(C(Nc2ccc(N(C)C)cc2)=C2C(=O)OC(C)(C)OC2=O)C(CC(C)C)CC(C)C)cc1 ZINC000059033360 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1c(C)cc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033368 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(CC(C)(C)C)cc1)C(Nc1c(C)cc(N(C)C)cc1C)=C1C(=O)OC(C)(C)OC1=O ZINC000059033369 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H](C)CCCC(C)C)c(OC)c1 ZINC000059033370 KK Annotated Anodyne COc1ccc(NC(=C2C(=O)OC(C)(C)OC2=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H](C)CCCC(C)C)c(OC)c1 ZINC000059033371 KK Annotated Anodyne CCCCCCC(CCCCCC)N(Cc1ccc(CC(C)C)cc1)C(Nc1ccc(N(C)C)cc1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033385 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(OCC(C)C)cc1)C(Nc1ccc(OC)cc1OC)=C1C(=O)OC(C)(C)OC1=O ZINC000059033388 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(OCC(C)C)cc1)C(Nc1ccc(OC)cc1OC)=C1C(=O)OC(C)(C)OC1=O ZINC000059033389 KK Annotated Anodyne CCCCC[C@@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1cc(OC)c(OC)c(OC)c1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033400 KK Annotated Anodyne CCCCC[C@H](C)N(Cc1ccc(C(C)(C)C)cc1)C(Nc1cc(OC)c(OC)c(OC)c1)=C1C(=O)OC(C)(C)OC1=O ZINC000059033401 KK Annotated Anodyne CC(C)=C[C@H]1C[C@@](C)(/C=C/c2[nH]c3ccccc3c2CCN(C)C)n2c1c(CCN(C)C)c1ccccc12 ZINC000059046644 KK Annotated Anodyne CC(C)=C[C@H]1C[C@](C)(/C=C/c2[nH]c3ccccc3c2CCN(C)C)n2c1c(CCN(C)C)c1ccccc12 ZINC000059046648 KK Annotated Anodyne CCCCN(CCCC)c1ccc(/C=C/C=C/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 ZINC000059046991 KK Annotated Clean in-vitro C[N+]1=C(/C=C/C=C/C=C2\N(Cc3ccc(CCl)cc3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 ZINC000059047004 KK Annotated Reactive in-vitro COc1cc2c(c(OC)c1CCC(C)(C)O)C(=O)C[C@@H](c1ccc(OC)c(OC)c1C/C=C(\C)CCCC(C)(C)O)O2 ZINC000059047099 KK Annotated Anodyne in-vivo CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)N5CCOCC5)C[C@H]4[C@]3(C)CC[C@@]21C ZINC000059051517 KK Annotated Mild C=CC(C)(C)c1ccc2c3c([nH]c2c1)[C@@]1(C)[C@@H](CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]12C)C3 ZINC000059060282 KK Annotated Mild CC(=O)O[C@@H](CC=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](OC(C)=O)CC[C@]21C ZINC000059060348 KK Annotated Mild C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=C(Br)C[C@H](Br)[C@@H]1O2 ZINC000059061314 KK Annotated Reactive O=C1CCCCCCCCCC/C(=N\OC(=O)COc2ccc(Br)cc2Cl)CCCO1 ZINC000059061839 KK Annotated Mild C[C@@H]1CC/C(=N/OC(=O)COc2ccc(Br)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000059062413 KK Annotated Mild C[C@H]1CC/C(=N/OC(=O)COc2ccc(Br)cc2Cl)CCCCCCCCCCC(=O)O1 ZINC000059062414 KK Annotated Mild O=C1CCCCCCCCCC/C(=N/OC(=O)COc2ccc(Br)cc2Cl)CCCO1 ZINC000059062519 KK Annotated Mild COc1c(O)c(C=O)c2c(O)c(-c3c(O)cc4c(C=O)c(O)c(OC)c(C(C)C)c4c3C)c(C)cc2c1C(C)C ZINC000059064963 KK Annotated Anodyne in-vitro Cc1cc2c(C(C)C)c(O)c(O)c(C=O)c2c(O)c1-c1c(O)cc2c(C=O)c(O)c(O)c(C(C)C)c2c1C ZINC000059065027 KK Annotated Clean in-vitro CCOC(=O)c1cccc([C@@]2(c3cnn(C)c3)N[C@@H](c3ncc(-c4ccc(F)cc4)[nH]3)Cc3c2[nH]c2ccccc32)n1 ZINC000059068594 KK Annotated Anodyne CCOC(=O)c1cccc([C@]2(c3cnn(C)c3)N[C@@H](c3ncc(-c4ccc(F)cc4)[nH]3)Cc3c2[nH]c2ccccc32)n1 ZINC000059068595 KK Annotated Anodyne CC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)c4cccc(C5(C#N)CC5)c4Cl)c3)nc2s1 ZINC000059083292 KK Annotated Mild C=C(CNCCc1ccc(O)cc1)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](N)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000059085248 KK Annotated Mild investigational C=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(=O)[C@H](O)[C@@H](C)CC)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000059086085 KK Annotated Mild C=C1CC[C@H]2[C@](C)(CCC=C(C)C)[C@@H](OC(=O)[C@H](O)C(C)C)CC[C@]2(C)[C@@H]1Cc1c(O)c(C)c(C)oc1=O ZINC000059086086 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000059086269 KK Annotated Clean CC(C)=CCC/C(C)=C/C[C@H]1C[C@@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000059086270 KK Annotated Clean CCCCCCCCCCCCC/C=C\C(=O)N/C=C\c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000059095963 KK Annotated Mild CC(C)CCCCCCCCCCC/C=C\C(=O)N/C=C\c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 ZINC000059095964 KK Annotated Anodyne C[C@H]1CC(=O)c2c(O)cccc2Oc2cc(O)c3c4c2[C@H](C)[C@@H]1C(c1c(O)cccc1O)=C4C(O)=CC3=O ZINC000059110630 KK Annotated Mild Cc1ccc(C)c(CC[C@@H](C)CCC[C@@H](C)CCCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c1C ZINC000059124281 KK Annotated Anodyne Cc1ccc(C)c(CC[C@H](C)CCC[C@@H](C)CCCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c1C ZINC000059124283 KK Annotated Anodyne Cc1ccc(C)c(CC[C@@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c1C ZINC000059124286 KK Annotated Anodyne Cc1ccc(C)c(CC[C@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c1C ZINC000059124290 KK Annotated Anodyne Cc1ccc(C)c(CC[C@@H](C)CCC[C@@H](C)CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]2[C@H](C)CCCC2(C)C)c1C ZINC000059124293 KK Annotated Anodyne Cc1ccc(C)c(CC[C@H](C)CCC[C@@H](C)CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]2[C@H](C)CCCC2(C)C)c1C ZINC000059124299 KK Annotated Anodyne Cc1ccc(C)c(CC[C@@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]2[C@H](C)CCCC2(C)C)c1C ZINC000059124303 KK Annotated Anodyne Cc1ccc(C)c(CC[C@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]2[C@H](C)CCCC2(C)C)c1C ZINC000059124310 KK Annotated Anodyne C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)(Cl)Cl ZINC000059126649 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F ZINC000059131415 KK Annotated Mild Cc1c(O)c2c(c3c1O[C@@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O ZINC000059145382 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@]1(O)[C@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O ZINC000059145383 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@]1(O)[C@@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O ZINC000059145384 KK Annotated Anodyne Cc1c(O)c2c(c3c1O[C@]1(O)[C@H](C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3c1ccccc1)O[C@H](c1ccccc1)CC2=O ZINC000059145385 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc(F)ccc1F ZINC000059150887 KK Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CC2)n(Cc2cc(F)ccc2F)c2ccc(C(F)(F)F)cc12 ZINC000059151216 KK Annotated Mild C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)N(CCc2c[nH]cn2)C1=O)COS(=O)(=O)O ZINC000059151571 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)N(CCc2c[nH]cn2)C1=O)COS(=O)(=O)O ZINC000059151573 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C[C@H](OC(C)=O)[C@]45C(=O)O[C@@](C)([C@H]6CCC(C)(C)O6)[C@@]4(O)CC[C@@]5(C)[C@@H]3CC[C@H]2C1(C)C ZINC000059155454 KK Annotated Anodyne CCCCCCCC(=O)O[C@H]1CC[C@]2(C)O[C@H]2[C@H](O)C2=C(C)C(=O)O[C@]2(OC)C/C(C)=C/CC[C@H]1C ZINC000059173878 KK Annotated Mild COC(=O)CC[C@]1(C)C2=CC[C@]3(C)[C@@H]([C@H](C)[C@H]4CC=C(C)C(=O)O4)CC[C@@]3(C)[C@@H]2CC[C@H]1C(C)(C)O ZINC000059182248 KK Annotated Anodyne C=CCc1ccc(OC[C@H](Oc2ccc(CC=C)cc2OC)[C@@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000059182635 KK Annotated Mild CCC(C#N)(CC)c1ccc(CC[C@@]2(C3CCCC3)CC(=O)[C@H](Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc1F ZINC000059183611 KK Annotated Mild CCCCCS(=O)(=O)/N=C(\O)[C@@H]1C[C@H]1c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000059185999 KK Annotated Mild C/C(=C\CC/C(C)=C/COC[C@@H](CO)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)CC/C=C(\C)CCCC(C)C ZINC000059199338 KK Annotated Anodyne COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)NCC5 ZINC000059200514 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000059204232 KK Annotated Mild in-man endogenous CC(C)=CC[C@@H]1C[C@]23C[C@H](/C=C/C(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000059204331 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]23C[C@H](CCC(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000059204333 KK Annotated Mild C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CCN(CCCCNC(=N)N)C1=O)COS(=O)(=O)O ZINC000059204425 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CCN(CCCCNC(=N)N)C1=O)COS(=O)(=O)O ZINC000059204427 KK Annotated Anodyne CCCCCC[C@H](O)c1cc(OC)c(COCc2c(OC)cc([C@@H](O)CCCCCC)oc2=O)c(=O)o1 ZINC000059205090 KK Annotated Anodyne C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@]3(C=CC(C)(C)OC3=C(C(=O)c3cccc(O)c3)C1=O)C2=O ZINC000059205167 KK Annotated Mild C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@]3(C=CC(C)(C)OC3=C(C(=O)c3ccccc3)C1=O)C2=O ZINC000059205287 KK Annotated Mild C/C=C1C(=C\c2[nH]c(/C=C3\N=C(/C=C4\NC(=O)C(CC)=C4C)C(C)=C3CCC(=O)O)c(CCC(=O)O)c2C)\NC(=O)C\1(C)C ZINC000059206702 KK Annotated Anodyne in-vitro CCN(CC)CCCS(=O)(=O)c1ccc2nc(NC(=O)NC(=O)c3cc(-n4cccc4)ccc3Cl)sc2c1 ZINC000059244336 KK Annotated Anodyne CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000059245665 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(Br)cc2)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000059256333 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](OC(C)=O)[C@@H](C)[C@@H](OC(C)=O)/C(C)=C/[C@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000059258226 KK Annotated Anodyne CCC(=O)O[C@@H](/C(C)=C/[C@H](C)c1oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c1C)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)c1oc(CC)c(C)c(=O)c1C ZINC000059258229 KK Annotated Anodyne CCC(=O)O[C@@H]([C@@H](C)c1oc(CC)c(C)c(=O)c1C)[C@@H](C)[C@@H](OC(C)=O)/C(C)=C/[C@H](C)c1oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c1C ZINC000059258230 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(OCc2cc(F)cc(F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000059260983 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(OCc2cc(F)cc(F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000059260986 KK Annotated Anodyne CCC#C[C@@H](OC(=O)[C@@H]1[C@H](C=C(Br)Br)C1(C)C)c1cccc(Oc2ccccc2)c1 ZINC000059262946 KK Annotated Mild CC#C[C@@H](OC(=O)[C@@H]1[C@H](C=C(Br)Br)C1(C)C)c1cccc(Oc2ccccc2)c1 ZINC000059262950 KK Annotated Mild CC(C)CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)O)c1 ZINC000059275475 KK Annotated Anodyne CC(C)CCN(Cc1ccc(C(F)(F)F)cc1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)O)c1 ZINC000059275476 KK Annotated Anodyne CC(C)CCN(Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)O)c1)c1ccc(C(F)(F)F)cc1 ZINC000059275902 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@H](C(F)(F)F)N2C)c1 ZINC000059282859 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@H](C(F)(F)F)N2C)c1 ZINC000059282864 KK Annotated Anodyne Cc1cc(C)c2c(C)c1Cc1c(C)cc(C)c(c1C)Cc1c(C)cc(C)c(c1C)Cc1c(C)cc(C)c(c1C)C2 ZINC000059287703 KK Annotated Anodyne in-vitro C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C/C=C/C(C)(C)O)COC(=O)CCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000059298263 KK Annotated Mild CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000059299070 KK Annotated Anodyne in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000059299071 KK Annotated Anodyne in-vitro CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000059299074 KK Annotated Anodyne in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000059299088 KK Annotated Mild in-vitro CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=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 ZINC000059299091 KK Annotated Anodyne in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)C[C@@H]1CC3)C(C)C ZINC000059299095 KK Annotated Mild in-vitro C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)C[C@@H]1CC3)C(C)C ZINC000059299098 KK Annotated Mild in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=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 ZINC000059299123 KK 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](OC(=O)c2ccccc2)C(C)(C)[C@@H]1CC3 ZINC000059307378 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)[C@H]([C@@H]3C=C(c4ccccc4)Oc4c(OC)c(OC)cc(OC)c43)CC[C@@](C)(O)[C@@H]2C1 ZINC000059319186 KK Annotated Mild C=C(C)[C@@H]1CC[C@@]2(C)[C@H]([C@H]3C=C(c4ccccc4)Oc4c(OC)c(OC)cc(OC)c43)CC[C@@](C)(O)[C@@H]2C1 ZINC000059319191 KK Annotated Mild C=C1CC[C@@H]([C@@H]2C=C(c3ccccc3)Oc3c(OC)c(OC)cc(OC)c32)[C@]2(C)CC[C@@H](C(=C)C)C[C@@H]12 ZINC000059319195 KK Annotated Mild COc1cc(OC)c2c(c1OC)OC(c1ccccc1)=C[C@H]2[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C ZINC000059319199 KK Annotated Anodyne CC(C)=CCC[C@@H](COC(=O)CC(=O)O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C ZINC000059321531 KK Annotated Anodyne O=C1C[C@@H]2c3cc(Br)cc(Br)c3N3C=Nc4ccc(Br)cc4[C@@]23CCN1 ZINC000059338540 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3OC)C(=O)C[C@](C)(O)O5)c2c1 ZINC000059353055 KK Annotated Bother in-man biogenic C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CCC(=C)[C@H]2Cc2cc(ccc2O)C(=O)O1 ZINC000059353064 KK Annotated Reactive CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)O)cc2)c(C)c1 ZINC000059353830 KK Annotated Anodyne CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)O)c(F)c2)c(C)c1 ZINC000059353868 KK Annotated Mild CCC(CC)(c1ccc(/C=C/C(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)O)cn2)c(C)c1 ZINC000059353891 KK Annotated Anodyne CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)Cc1cccc(CN)c1 ZINC000059354240 KK Annotated Mild Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(cc4oc5c(Oc6cc(O)cc(O)c6)c(O)cc(O)c5c4c2O)O3)c1 ZINC000059496678 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(C)cc1Br)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059514271 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C)cc1Br)[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059514272 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](C(=O)Nc1ccc(C)cc1Br)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059514273 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](C(=O)Nc1ccc(C)cc1Br)[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000059514275 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059514939 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059514941 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059514943 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3ccc(Cl)cc3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059514945 KK Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c21 ZINC000059524612 KK Annotated Anodyne O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c21 ZINC000059524613 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059524963 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000059524965 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059524967 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCN(c3cccc(C)c3C)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000059524968 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cc(Br)ccc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000059524989 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cc(Br)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000059524991 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cc(Br)ccc2OC)[C@H]1c1cn(C)c2ccccc12 ZINC000059524993 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cc(Br)ccc2OC)[C@@H]1c1cn(C)c2ccccc12 ZINC000059524994 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@]2(C(=O)O)CC[C@]3(C)C(=C2CC1(C)C)C=C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C ZINC000059587117 KK Annotated Anodyne in-vitro biogenic CO/C(C)=C1/CC[C@](C)(O)[C@@](C)(CC/C=C(\C)[C@H](C/C=C(\C)CCC=C(C)C)OC(C)=O)[C@@H]1CCCO ZINC000059587273 KK Annotated Anodyne in-vitro biogenic CCOC(C)(C)CCc1cc(/C=C/C(=O)c2ccc3c(c2O)CCC(C)(C)O3)cc2c1OC(C)(C)CC2 ZINC000059587281 KK Annotated Mild in-vitro biogenic O=C(CCCCCCCCCCCCCCCC(=O)OCCCCCCCO)OCCCCCCCO ZINC000059589304 KK Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]2[C@@H](O1)[C@@H]([C@H](N)COC(c1ccccc1)(c1ccccc1)c1ccccc1)O[C@H]2OCc1ccccc1 ZINC000059656077 KK Annotated Anodyne CC1(C)O[C@@H]2[C@H](OCc3ccccc3)O[C@H]([C@H](N)COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 ZINC000059656078 KK Annotated Anodyne CCCCC[C@@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687911 KK Annotated Anodyne CCCCC[C@H](C)[C@@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687914 KK Annotated Anodyne CCCCC[C@@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687917 KK Annotated Anodyne CCCCC[C@H](C)[C@H](C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2 ZINC000059687920 KK Annotated Anodyne C[N+](C)(CCCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000059717645 KK Annotated Bother C[N+](C)(CCCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000059718054 KK Annotated Bother Cc1ccc(C[N+](C)(C)CCCCCCOc2c(Br)cc(Br)cc2Br)o1 ZINC000059718232 KK Annotated Bother C[N+](C)(CCCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccco1 ZINC000059719750 KK Annotated Bother C[N+](C)(CCCCCOc1c(Br)cc(Br)cc1Br)Cc1ccco1 ZINC000059719800 KK Annotated Bother C[N+](C)(CCCOc1c(Br)cc(Br)cc1Br)Cc1ccc([N+](=O)[O-])o1 ZINC000059720751 KK Annotated Bother CC(C)C[C@H]1/N=C(/O)[C@@H](/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)[C@@H](c2ccccc2)Oc2ccc(cc2)/C=C\N=C/1O ZINC000059721082 KK Annotated Mild in-man CC(C)C[C@@H]1/N=C(/O)[C@@H](/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)[C@@H](c2ccccc2)Oc2ccc(cc2)/C=C\N=C/1O ZINC000059721086 KK Annotated Mild in-man CC(C)C[C@H]1/N=C(/O)[C@@H](/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\N=C/1O ZINC000059721088 KK Annotated Mild in-man endogenous CC(C)C[C@@H]1/N=C(/O)[C@@H](/N=C(\O)[C@@H](Cc2ccccc2)N(C)C)[C@H](c2ccccc2)Oc2ccc(cc2)/C=C\N=C/1O ZINC000059721091 KK Annotated Mild in-man endogenous Cc1cc(OCCCCCCCCCCCC[N+](C)(C)Cc2ccc([N+](=O)[O-])o2)c(C(C)C)cc1Cl ZINC000059721351 KK Annotated Bother Cc1cc(OCCCCCCCCCCCCCC[N+](C)(C)Cc2ccc(Br)o2)c(C(C)C)cc1Cl ZINC000059721599 KK Annotated Bother C[C@@H](CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO)CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO ZINC000059724794 KK Annotated Anodyne COc1cc(O)c(/C=C/c2c(OC(=O)c3ccccc3)cc(O)c(C)c2OC)c2c1CC[C@@H](c1ccccc1)O2 ZINC000059727870 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000059744154 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000059744161 KK Annotated Anodyne O=C(N[C@H]1C/C=C/[C@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000059744168 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@H](c2cccc(F)c2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000059744174 KK Annotated Anodyne Cc1ccc(CN2C(=O)C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC=C[C@@H]2c2ccc(C)cc2)cc1 ZINC000059744189 KK Annotated Anodyne Cc1ccc([C@H]2C=CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2)cc1 ZINC000059744210 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@H](c2ccccc2)N(c2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000059744215 KK Annotated Anodyne CC[C@H](C)[C@H]1C=CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1 ZINC000059744222 KK Annotated Anodyne COc1cc([C@@H](CCN2CCC[C@H](C)C2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC ZINC000059744851 KK Annotated Anodyne COc1cc(OC)c2c(-c3ccccc3)cc(=O)oc2c1[C@H](CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000059744869 KK Annotated Anodyne COc1cc(OC)c2c(c1[C@H](CCN1CCC[C@H](C)C1)c1ccc(N(C)C)cc1)OC(=O)C[C@@H]2c1ccc(N(C)C)cc1 ZINC000059744875 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)/C=C/c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059744914 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(C(=O)c3ccccc3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059744920 KK Annotated Anodyne COc1ccc([C@H]2C=CCN(S(=O)(=O)c3cccc4cccnc34)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059744997 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)c3cccc4cccnc34)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059745000 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(CC3CCCCC3)[C@@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059745229 KK Annotated Anodyne CC(=O)O[C@@H]1CC(C)=C(C#C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C1 ZINC000059745639 KK 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=C/C2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000059745650 KK 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#CC2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000059745653 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000059745656 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C(=O)[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000059745659 KK Annotated Mild CC1=CCCC(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=C/C1=C(C)C(=O)CCC1(C)C ZINC000059745671 KK Annotated Mild CC1=C(CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000059745697 KK Annotated Bother in-man endogenous COC(C)(C)C(=O)CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000059745715 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CCCC(C)(C)O ZINC000059745721 KK Annotated Bother in-vitro O=C1CCC[C@@H]2C[C@H](C[C@@](O)(/C=C\c3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000059773305 KK Annotated Mild O=C1CCC[C@@H]2C[C@@H](C[C@@](O)(/C=C\c3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000059773319 KK Annotated Mild CC1=C[C@H](c2c(O)c(C(=O)/C=C/c3ccccc3)c(O)c([C@H]3C=C(C)CC[C@@H]3C(C)C)c2O)[C@@H](C(C)C)CC1 ZINC000059773351 KK Annotated Mild COc1cc(O)c([C@@H](/C=C/C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000059773654 KK Annotated Mild in-vitro biogenic COc1c(Cc2cc(Cc3ccccc3O)ccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000059774060 KK Annotated Anodyne CC1=C[C@@H](c2c(O)c(C(=O)CCc3ccccc3)c(O)c([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)[C@H](C(C)C)CC1 ZINC000059774705 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21 ZINC000059775853 KK Annotated Anodyne O=C1C[C@H](c2ccccc2)Oc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21 ZINC000059775864 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3ccccc3O)c(O)c21 ZINC000059775874 KK Annotated Anodyne O=C1CCC[C@H]2C[C@@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1 ZINC000059775946 KK Annotated Anodyne O=C1CCC[C@H]2C[C@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2c(cc3c(c2O)C(=O)C[C@@H](c2ccccc2)O3)O1 ZINC000059775952 KK Annotated Anodyne O=C1CCC[C@H]2C[C@@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)O1 ZINC000059775960 KK Annotated Anodyne O=C1CCC[C@H]2C[C@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2c(cc3c(c2O)C(=O)C[C@H](c2ccccc2)O3)O1 ZINC000059775965 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)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 ZINC000059779496 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2csc(NCCc3nc4cc(C(F)(F)F)ccc4n3CCCO)n2)ccc1Cl ZINC000059784827 KK Annotated Bother C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000059789288 KK Annotated Mild in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@@H](C)O2)C[C@@H]1C ZINC000059790663 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000059790730 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000059790735 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000059790740 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000059790746 KK Annotated Anodyne O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NC2CCCCC2)N(CCC2=CCCCC2)C(=O)[C@H]13 ZINC000059790786 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H]1N(CCC2=CCCCC2)C(=O)[C@@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]12O3 ZINC000059790787 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccccc2)c1 ZINC000059796279 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccccc2)c1 ZINC000059796281 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796293 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000059796295 KK Annotated Anodyne FC(F)(F)c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000059796297 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)/C=C/c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059796313 KK Annotated Anodyne COc1ccc([C@H]2/C=C/CN(S(=O)(=O)/C=C/c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059796315 KK Annotated Anodyne CCCCCCC(=O)N1C/C=C/[C@H](c2ccc(OC)cc2)N(Cc2ccc(F)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000059796317 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000059796348 KK Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000059796351 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000059796426 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000059796428 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000059796435 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000059796437 KK Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000059796517 KK Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000059796518 KK Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000059796519 KK Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000059796520 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@@H]3c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCCO)n2)cc1Cl ZINC000059796525 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@H]3c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCCO)n2)cc1Cl ZINC000059796526 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccccc2)c1 ZINC000059796528 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccccc2)c1 ZINC000059796529 KK Annotated Anodyne FC(F)(F)c1ccc([C@@H]2[C@H]3CN(Cc4cccnc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000059796531 KK Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000059796535 KK Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccccc2)=NO1 ZINC000059796536 KK Annotated Anodyne C[C@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000059796537 KK Annotated Anodyne C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccccc2)=NO1 ZINC000059796538 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccccc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059796539 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@H](c4ccccc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059796540 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1c(Br)cc1ccccc12 ZINC000059796648 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1c(Br)cc1ccccc12 ZINC000059796649 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1ccc1cc(Cl)c(Cl)cc12 ZINC000059796652 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1ccc1cc(Cl)c(Cl)cc12 ZINC000059796653 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1cc(Cl)c1ccc(Cl)cc12 ZINC000059796654 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1cc(Cl)c1ccc(Cl)cc12 ZINC000059796655 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@H](O)c1cccc2c1cc(Cl)c1cc(Cl)c(Cl)cc12 ZINC000059796656 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1cccc2c1cc(Cl)c1cc(Cl)c(Cl)cc12 ZINC000059796657 KK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000059807257 KK Annotated Mild N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000059807262 KK Annotated Mild COc1ccc([C@H]2/C=C/CN(C(=O)c3ccc(C)cc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000059807644 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059807919 KK Annotated Anodyne CCCCCCCN(CCCCCCC)C[C@H](O)c1c(Br)ccc2c1ccc1ccccc12 ZINC000059816847 KK Annotated Mild CCCCCCCN(CCCCCCC)C[C@@H](O)c1c(Br)ccc2c1ccc1ccccc12 ZINC000059816851 KK Annotated Mild C=Cc1c(C)c2cc3[nH]c(cc4nc(c(/C=C/C(=O)O)c4C)c4c5[nH]c(cc1n2)c(C)c5C(=O)[C@@H]4C(=O)OC)c(C)c3C=C ZINC000059817768 KK Annotated Bother Cc1ccc(-n2nnnc2SCC(=O)Nc2ccc(-c3ccc(CC(=O)O)cc3)cc2Cl)c(Cl)c1 ZINC000059871344 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(-c4cc(Cl)c(N)c(Cl)c4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000059895927 KK Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(-c4cc(Cl)c(N)c(Cl)c4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000059895936 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2csc(NCCc3nc4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)ccc1Cl ZINC000059895965 KK Annotated Bother C[C@H](Nc1nc(-c2ccc(Cl)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO ZINC000059896032 KK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(Cl)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO ZINC000059896033 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000059896063 KK Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000059896064 KK Annotated Anodyne COc1ccc(-c2csc(NCCc3nc4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)cc1 ZINC000059896146 KK Annotated Anodyne C[C@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO ZINC000059896212 KK Annotated Anodyne C[C@@H](Nc1nc(-c2ccc(F)cc2)cs1)c1nc2cc(Cl)c(N3CCCCC3)cc2n1CCOCCO ZINC000059896216 KK Annotated Anodyne OCCCn1c([C@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000059896320 KK Annotated Anodyne OCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000059896322 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000059896331 KK Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000059896335 KK Annotated Anodyne Cc1ccc(Cn2c(CCNc3nc(-c4ccc(Cl)c([N+](=O)[O-])c4)cs3)nc3cc(Cl)c(Cl)cc32)cc1 ZINC000059896369 KK Annotated Bother O=[N+]([O-])c1cc(-c2csc(NCCc3nc4cc(Cl)c(N5CCCCC5)cc4n3CCCO)n2)ccc1Cl ZINC000059896377 KK Annotated Bother O=C(NCc1cccc(Br)c1)[C@@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1Cc1ccccc1 ZINC000059920103 KK Annotated Anodyne O=C(NCc1cccc(Br)c1)[C@H]1C[C@H]2Cn3c(nc4ccccc43)[C@@H]2N1Cc1ccccc1 ZINC000059920107 KK Annotated Anodyne CC1=CCC[C@@H]2[C@@]3(C)[C@@H](OC(=O)c4ccccc4)C[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](O)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000059925915 KK Annotated Anodyne C=C1CCC[C@@H]2[C@@]3(C)[C@@H](O)C[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@]12C ZINC000059925927 KK Annotated Mild O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000059946348 KK Annotated Anodyne O=C(/C=C/c1cccs1)N1CCC2(CC1)Oc1ccc(Cl)cc1C(=O)[C@@]21CC(c2ccc(Cl)cc2)=NO1 ZINC000059946350 KK Annotated Anodyne COc1ccc(-c2csc(N[C@@H](C)c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)cc1 ZINC000059946823 KK Annotated Anodyne COc1ccc(-c2csc(N[C@H](C)c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)cc1 ZINC000059946825 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H](C)Nc3nc(-c4ccc(F)cc4)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000059946876 KK Annotated Anodyne Cc1ccc(Cn2c([C@H](C)Nc3nc(-c4ccc(F)cc4)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000059946885 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@@H]3c3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1Cl ZINC000059946905 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@H]3c3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)cc1Cl ZINC000059946909 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059955098 KK Annotated Anodyne aggregator FC(F)(F)c1ccc(CN2C[C@@H]3[C@H](c4ccccc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000059955101 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc(cc4ccc([nH]4)c(-c4cc[n+](C)cc4)c4ccc2n4)[nH]3)cc1 ZINC000059969617 KK Annotated Clean CCCC[P+](CCCC)(CCCC)[C@@H](C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000006001682 KK Annotated Mild CC1CCOc2ccc(cc2)/C=N\c2ccc(cc2)CCc2ccc(cc2)/N=C\c2ccc(cc2)OCC1 ZINC000006001860 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001942 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001943 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C(C)(C)C ZINC000006001952 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)C(C)(C)C ZINC000006001956 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000006001966 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000006001969 KK Annotated Anodyne CC[C@]1(c2ccc3c(c2)OCO3)C=[N+]([O-])O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001978 KK Annotated Anodyne CC[C@]1(c2ccc3c(c2)OCO3)C=[N+]([O-])O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000006001980 KK Annotated Anodyne c1cc2nnc1SCCSCCSCCSc1ccc(nn1)SCCSCCSCCS2 ZINC000006002022 KK Annotated Anodyne CC[C@@H](C(=O)C(=O)[C@@H](CC)[P@]1(=O)OC(C)(C)CN1C(C)(C)C)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002103 KK Annotated Clean CC(C)=CCC/C(C)=C/CC[C@@H](C(=O)COCc1ccccc1)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002162 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@H](C(=O)COCc1ccccc1)[P@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002167 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@@H](C(=O)COCc1ccccc1)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002169 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC[C@H](C(=O)COCc1ccccc1)[P@@]1(=O)OC(C)(C)CN1C(C)(C)C ZINC000006002171 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000006002553 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000006002556 KK Annotated Anodyne Cc1cc2ccc3c(c2oc1=O)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000006002563 KK Annotated Anodyne Cc1cc2ccc(=O)oc2c2c1OC(C)(C)[C@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H]2OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000006002570 KK Annotated Anodyne CC(C)(C)c1cc2c(O)c(c1)COCc1cc(C(C)(C)C)cc(c1O)COCc1cc(C(C)(C)C)cc(c1O)COC2 ZINC000006002584 KK Annotated Anodyne Oc1c2cc(Cl)cc1COCc1cc(Cl)cc(c1O)COCc1cc(Cl)cc(c1O)COC2 ZINC000006002590 KK Annotated Anodyne Clc1ccc(NCc2nnc(CCCCCCCCc3nnc(CNc4ccc(Cl)cc4)o3)o2)cc1 ZINC000006002670 KK Annotated Anodyne Clc1ccc(Nc2nn3c(CCCCCCCCc4nnc5sc(Nc6ccc(Cl)cc6)nn45)nnc3s2)cc1 ZINC000006002686 KK Annotated Anodyne C(#Cc1ccccc1)SC1=C(c2ccccc2)S/C(=C(\SC#Cc2ccccc2)c2ccccc2)S1 ZINC000006002794 KK Annotated Mild COC(=O)c1cc(C(=CCCCCN=[N+]=[N-])c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC ZINC000006002884 KK Annotated Clean CCNC(=O)OCCCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000006002889 KK Annotated Anodyne Cc1cc2c(c3oc(=O)ccc13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000006003183 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(C)cc2)C1 ZINC000006003510 KK Annotated Mild COC(=O)CCCCC(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000006003563 KK Annotated Anodyne CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(=O)CCCC[n+]3ccccc3)cc2)cc1 ZINC000006003581 KK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000006003777 KK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000006003780 KK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000006003784 KK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2cc(Cl)c(Cl)cc2Cl)cc(OC)c1OC ZINC000006003787 KK Annotated Anodyne COc1cc([C@H]2S/C(=C/c3ccccc3)C(=O)N2c2cc(Cl)ccc2Cl)cc(OC)c1OC ZINC000006003807 KK Annotated Anodyne COc1cc([C@@H]2S/C(=C/c3ccccc3)C(=O)N2c2cc(Cl)ccc2Cl)cc(OC)c1OC ZINC000006003811 KK Annotated Anodyne CCCCCc1c2ccc(n2)c(CCCCC)c2ccc([nH]2)c(CCCCC)c2ccc(n2)c(CCCCC)c2ccc1[nH]2 ZINC000006003839 KK Annotated Bother Brc1cc(CCO[C@@H]2CCCCO2)c(-c2sccc2CCO[C@@H]2CCCCO2)s1 ZINC000006003919 KK Annotated Anodyne Brc1cc(CCO[C@@H]2CCCCO2)c(-c2sccc2CCO[C@H]2CCCCO2)s1 ZINC000006003922 KK Annotated Anodyne Brc1cc(CCO[C@H]2CCCCO2)c(-c2sccc2CCO[C@@H]2CCCCO2)s1 ZINC000006003924 KK Annotated Anodyne Brc1cc(CCO[C@H]2CCCCO2)c(-c2sccc2CCO[C@H]2CCCCO2)s1 ZINC000006003926 KK Annotated Anodyne CCOC(=O)CCc1cccc2c1oc1c(CCNC(=O)OCC3c4ccccc4-c4ccccc43)cccc12 ZINC000006004004 KK Annotated Anodyne O=C(CC(=O)n1nc(-c2ccccc2)c(/N=N/c2ccc(Cl)cc2)c1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000006004244 KK Annotated Clean CCC1(CCCC=C(c2cc(Cl)c(OC)c(C(=O)OC)c2)c2cc(Cl)c(OC)c(C(=O)OC)c2)OCCO1 ZINC000006004288 KK Annotated Anodyne C=C[C@H]1CN2CCc3c([nH]c4c([C@H]5CCCN5C)c(O)ccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000006004505 KK Annotated Mild C=C[C@H]1CN2CCc3c([nH]c4c([C@@H]5CCCN5C)c(O)ccc34)[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000006004508 KK Annotated Mild CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OC(=O)c5cccc6cc7ccccc7nc56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000006004580 KK Annotated Mild CCC1(CCCC=C(c2cc(Cl)c(OC)c(CO)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1 ZINC000006004665 KK Annotated Anodyne CCC1(CCC/C=C(\c2cc(Cl)c(OC)c(C=O)c2)c2cc(Cl)c(OC)c(CO)c2)OCCO1 ZINC000006004668 KK Annotated Anodyne CCC(=O)CCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1 ZINC000006004672 KK Annotated Anodyne C=CCN(C(=O)OC(C)(C)C)C1=C[C@@H]2C(C)=CN(S(=O)(=O)c3ccccc3)[C@@H]2C(OCc2ccccc2)=C1 ZINC000006004760 KK Annotated Mild COC1=C[C@H]2[C@H](c3cc4ccccc4n3S(=O)(=O)c3ccccc3)C[C@@H]1CN2C(=O)OCc1ccccc1 ZINC000006004789 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccc(OCc3ccccc3)cc2)C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000006005130 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C(=O)O[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000006005132 KK Annotated Anodyne CCOC(=O)C[C@]1(Cc2ccc(OCc3ccccc3)cc2)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000006005136 KK Annotated Anodyne CCOC(=O)C[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C(=O)O[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000006005137 KK Annotated Anodyne COc1ccc(/N=C(/SS/C(=N/c2ccc(OC)cc2)c2ccc([N+](=O)[O-])o2)c2ccc([N+](=O)[O-])o2)cc1 ZINC000006005252 KK Annotated Reactive COc1ccc2c(c1)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2C(=O)c3cc(OC)ccc3[C@H]2[C@H]1c1ccccc1 ZINC000006005468 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2C(=O)c3cc(OC)ccc3[C@@H]2[C@H]1c1ccccc1 ZINC000006005471 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@H]2C(=O)c3cc(OC)ccc3[C@@H]2[C@H]1c1ccccc1 ZINC000006005474 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2C(=O)c3cc(OC)c(OC)cc3[C@H]2[C@H]1c1ccccc1 ZINC000006005482 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000006005486 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@H]2C(=O)c3cc(OC)c(OC)cc3[C@@H]2[C@H]1c1ccccc1 ZINC000006005487 KK Annotated Anodyne COc1cc([C@@H]2[C@@H]3c4ccccc4C(=O)[C@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@]23Cc2ccccc2C3=O)cc(OC)c1OC ZINC000006005494 KK Annotated Anodyne COc1cc([C@@H]2[C@@H]3C(=O)c4ccccc4[C@@H]3[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@]23Cc2ccccc2C3=O)cc(OC)c1OC ZINC000006005495 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006344 KK Annotated Clean O=C1CS[C@@H](c2ccccc2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006350 KK Annotated Anodyne Cc1ccc([C@@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1 ZINC000006006353 KK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1 ZINC000006006354 KK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1OC ZINC000006006356 KK Annotated Anodyne O=C1CS[C@@H](c2cccc(Cl)c2)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006357 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006362 KK Annotated Bother COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006363 KK Annotated Anodyne COc1cccc([C@@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)c1OC ZINC000006006366 KK Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)ccc1O ZINC000006006368 KK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1 ZINC000006006380 KK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1OC ZINC000006006382 KK Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc(OC)c1OC ZINC000006006383 KK Annotated Anodyne O=C1CS[C@@H](c2cccc(Cl)c2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000006006387 KK Annotated Anodyne COc1ccccc1[C@@H]1SCC(=O)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000006006395 KK Annotated Anodyne COc1cccc([C@@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)c1OC ZINC000006006396 KK Annotated Anodyne O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 ZINC000006006398 KK Annotated Anodyne COc1cc([C@@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)ccc1O ZINC000006006399 KK Annotated Anodyne BrC(=C(c1ccc(O[C@@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000006006454 KK Annotated Anodyne BrC(=C(c1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@@H]2CCCCO2)cc1)c1ccccc1 ZINC000006006455 KK Annotated Anodyne BrC(=C(c1ccc(O[C@H]2CCCCO2)cc1)c1ccc(O[C@H]2CCCCO2)cc1)c1ccccc1 ZINC000006006461 KK Annotated Anodyne CCCCCC[C@@H](CCl)c1sc(-c2csc(CCNC(=O)OC(C)(C)C)n2)nc1C(=O)OC ZINC000006006478 KK Annotated Reactive O=C(O)CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006006516 KK Annotated Anodyne CCCCCCc1cc2cc(C(=O)Nc3nc(C45CC6CC(CC(C6)C4)C5)cs3)c(=O)oc2cc1O ZINC000006006858 KK Annotated Anodyne O=C1[C@@H](Cl)[C@@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009698 KK Annotated Reactive O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009699 KK Annotated Reactive O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009700 KK Annotated Reactive O=C1[C@H](Cl)[C@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009701 KK Annotated Reactive COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009711 KK Annotated Reactive COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009712 KK Annotated Reactive COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009713 KK Annotated Reactive COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 ZINC000006009714 KK Annotated Reactive O=C1[C@@H](Cl)[C@@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009715 KK Annotated Reactive O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009716 KK Annotated Reactive O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009717 KK Annotated Reactive O=C1[C@H](Cl)[C@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009718 KK Annotated Reactive O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009719 KK Annotated Reactive O=C1[C@@H](Cl)[C@@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009720 KK Annotated Reactive O=C1[C@H](Cl)[C@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009721 KK Annotated Reactive O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009722 KK Annotated Reactive COc1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000006009729 KK Annotated Anodyne COc1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000006009730 KK Annotated Anodyne COc1cccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)c1 ZINC000006009732 KK Annotated Anodyne COc1cccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)c1 ZINC000006009733 KK Annotated Anodyne COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009734 KK Annotated Anodyne COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009735 KK Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009736 KK Annotated Anodyne O=C1CS[C@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009737 KK Annotated Anodyne CC(C)C/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009738 KK Annotated Anodyne CC(C)C/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)SCC(=O)N2c1nc2ccccc2s1 ZINC000006009739 KK Annotated Anodyne O=C1CS[C@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009740 KK Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009741 KK Annotated Anodyne O=C1CS[C@]2(CC(/C=C/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009742 KK Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009743 KK Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/c3cccc([N+](=O)[O-])c3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009744 KK Annotated Bother O=C1CS[C@]2(CC(/C=C/c3cccc([N+](=O)[O-])c3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009745 KK Annotated Bother O=C1CS[C@]2(CC(/C=C/c3ccccc3[N+](=O)[O-])=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009746 KK Annotated Bother O=C1CS[C@@]2(CC(/C=C/c3ccccc3[N+](=O)[O-])=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000006009747 KK Annotated Bother O=C(O[C@H](/C=C/c1ccccc1)P1(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1)c1ccccc1 ZINC000006009863 KK Annotated Anodyne O=C(O[C@@H](/C=C/c1ccccc1)P1(=O)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1Cc1ccccc1)c1ccccc1 ZINC000006009864 KK Annotated Anodyne CCOC(=O)c1cc([C@@H](O)P2(=O)N(CC(C)(C)C)[C@@H]3CCCC[C@H]3N2CC(C)(C)C)cn1C(=O)OC(C)(C)C ZINC000006009865 KK Annotated Anodyne CCOC(=O)c1cc([C@H](O)P2(=O)N(CC(C)(C)C)[C@@H]3CCCC[C@H]3N2CC(C)(C)C)cn1C(=O)OC(C)(C)C ZINC000006009866 KK Annotated Anodyne O=P1([C@H](O)/C=C/c2ccccc2)N(Cc2ccccc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000006009872 KK Annotated Anodyne O=C1N[C@@H](COc2ccc(/C=N/c3ccc(CCc4ccc(/N=C/c5ccc(OC[C@@H]6COC(=O)N6)cc5)cc4)cc3)cc2)CO1 ZINC000006009893 KK Annotated Mild COc1ccc([C@H]2CC(c3cc4c(C)c(C(=O)c5ccccc5)oc4cc3O)=Nc3ccccc3S2)cc1OC ZINC000006009967 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1CC(=O)C[C@@H](Sc2ccccc2C(C)C)C12O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2 ZINC000006009974 KK Annotated Anodyne CC(C)c1ccccc1S[C@H]1CC(=O)C[C@H](Sc2ccccc2C(C)C)C12O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2 ZINC000006009975 KK Annotated Anodyne CC(C)c1ccccc1S[C@@H]1CC(=O)C[C@@H](Sc2ccccc2C(C)C)C12O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2 ZINC000006009976 KK Annotated Anodyne COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc(OC)c1OC ZINC000006010004 KK Annotated Anodyne COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc(OC)c1OC ZINC000006010006 KK Annotated Anodyne COc1ccc(-c2csc(Cc3nc4c(Br)cc(Br)cc4c(=O)n3-c3ccc(OC)cc3)n2)cc1 ZINC000006010128 KK Annotated Anodyne CCCCCC=C(c1cc(C(=O)OC)c(OC)c(C(F)(F)F)c1)c1cc(C(=O)OC)c(OC)c(C(F)(F)F)c1 ZINC000006010224 KK Annotated Anodyne O=C1CS[C@@H](/C=C/c2ccccc2)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4/C=C/c4ccccc4)nc3cc2s1 ZINC000006010361 KK Annotated Anodyne O=C1CS[C@@H](/C=C/c2ccccc2)N1c1nc2cc3sc(N4C(=O)CS[C@H]4/C=C/c4ccccc4)nc3cc2s1 ZINC000006010362 KK Annotated Anodyne O=C1CS[C@H](/C=C/c2ccccc2)N1c1nc2cc3sc(N4C(=O)CS[C@@H]4/C=C/c4ccccc4)nc3cc2s1 ZINC000006010363 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@@H]4c4ccccc4)n3)cc2)ccc1Cl ZINC000006013607 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl ZINC000006013608 KK Annotated Clean COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@@H]4c4cccs4)n3)cc2)ccc1Cl ZINC000006013609 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)CS[C@@H]4c4cccs4)cc3)cs2)ccc1Cl ZINC000006013613 KK Annotated Clean O=C(c1ccccc1)c1sc2c(=O)c(C(=O)c3ccccc3)c(C(=O)c3ccccc3)sc2c(=O)c1C(=O)c1ccccc1 ZINC000006018697 KK Annotated Anodyne CN(CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2)CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2 ZINC000006018712 KK Annotated Anodyne COC(=O)c1cc(C(=CCCc2ccccc2)c2cc(Br)c(OC)c(C(=O)OC)c2)cc(Br)c1OC ZINC000006018739 KK Annotated Anodyne Cc1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)S2 ZINC000006018856 KK Annotated Bother COc1ccc(C2=Nn3c(nnc3-c3ccccc3)S/C2=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000006018857 KK Annotated Bother ClC(Cl)(Cl)C1=N[C@H]2[C@H](Br)[C@@H]3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O[C@@H]3[C@H]2O1 ZINC000006018858 KK Annotated Reactive Oc1ccc(Cl)cc1C1=NC(NCNC2=N[C@H](c3ccccc3)CC(c3cc(Cl)ccc3O)=N2)=N[C@H](c2ccccc2)C1 ZINC000006019047 KK Annotated Anodyne Oc1ccc(Cl)cc1C1=NC(NCNC2=N[C@@H](c3ccccc3)CC(c3cc(Cl)ccc3O)=N2)=N[C@H](c2ccccc2)C1 ZINC000006019051 KK Annotated Anodyne Oc1ccc(Cl)cc1C1=NC(NCNC2=N[C@@H](c3ccccc3)CC(c3cc(Cl)ccc3O)=N2)=N[C@@H](c2ccccc2)C1 ZINC000006019054 KK Annotated Anodyne COc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]2c3cccn3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000006019126 KK Annotated Anodyne COC(=O)C[C@@H](c1ccccc1)[C@@](C#N)(O[P@@]1(=O)O[C@@H](c2ccccc2)[C@@H](C)N1C)c1ccccc1 ZINC000006019346 KK Annotated Mild Cc1cc2nc(N3C(=O)/C(=C/c4ccc(Oc5ccccc5)cc4)N=C3c3ccccc3)sc2cc1C ZINC000006019474 KK Annotated Clean COc1cc(/C=C2\N=C(c3ccccc3)N(/N=C/c3cc4cc(C)ccc4nc3Cl)C2=O)cc(OC)c1OC ZINC000006019482 KK Annotated Mild Fc1cc(C2=Nn3c(COc4ccccc4Cl)nnc3S/C2=C\c2ccc(Cl)cc2)c(Cl)cc1Cl ZINC000006019989 KK Annotated Anodyne Cc1cc(OCc2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2)S3)ccc1Cl ZINC000006019990 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000006020012 KK Annotated Anodyne CC1=C[C@H]([C@H]2C=C(C)C(C(N)=O)=CN2Cc2c(Cl)cccc2Cl)N(Cc2c(Cl)cccc2Cl)C=C1C(N)=O ZINC000006040258 KK Annotated Anodyne C=CC[C@@]1([C@H](C=C)COCc2ccc(OC)cc2)CC[C@]2(C)OC(C)(C)[C@@H](c3ccccc3)N2C1=S ZINC000006040308 KK Annotated Mild CCCN(C(=O)c1c(Cl)nnc(Cl)c1C(=O)c1cc(Cl)nnc1Cl)c1cc(Cl)nnc1Cl ZINC000006040495 KK Annotated Anodyne O=C(Oc1c(Cl)cc(C2(c3cc(Cl)c(OC(=O)c4ccccc4)c(Cl)c3)CCCCC2)cc1Cl)c1ccccc1 ZINC000006040515 KK Annotated Anodyne C[C@]1(CNCc2ccccc2)C[C@H](CCc2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccc(O)cc1 ZINC000006040560 KK Annotated Bother C[C@@]1(CNCc2ccccc2)C[C@H](CCc2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccc(O)cc1 ZINC000006040561 KK Annotated Bother C[C@]1(CNCc2ccccc2)C[C@@H](CCc2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccc(O)cc1 ZINC000006040562 KK Annotated Bother C[C@@]1(CNCc2ccccc2)C[C@@H](CCc2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Cc1ccc(O)cc1 ZINC000006040563 KK Annotated Bother O=C(CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC000006040667 KK Annotated Anodyne O=C1C(=c2cc3c(c4ccccc24)=N[C@]24CCCC[C@@H]2[C@H](c2ccccc2)C=C(c2ccccc2)N34)C(=O)c2ccccc21 ZINC000006040703 KK Annotated Clean O=C1C(=c2cc3c(c4ccccc24)=N[C@]24CCCC[C@@H]2[C@@H](c2ccccc2)C=C(c2ccccc2)N34)C(=O)c2ccccc21 ZINC000006040704 KK Annotated Clean CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]1O[C@@H](O[C@@H](CN)c3cc(Cl)c(OCc4ccccc4)c(OCc4ccccc4)c3)C[C@H]21 ZINC000006040705 KK Annotated Anodyne COc1ccc2ssc3ccc(OC)c(c3O)c3c(OC)ccc(ssc4ccc(OC)c(c4O)c1c2O)c3O ZINC000006040715 KK Annotated Bother CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4cc(OC)c(OC)c(OC)c4)N=C3c3ccccc3)cc2c1 ZINC000006040774 KK Annotated Clean O=C(O[C@H](/C=C/c1ccccc1)P1(=O)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1Cc1ccccc1)c1ccccc1 ZINC000006040963 KK Annotated Anodyne O=C(O[C@@H](/C=C/c1ccccc1)P1(=O)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1Cc1ccccc1)c1ccccc1 ZINC000006040964 KK Annotated Anodyne C[C@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@H](c1ccccc1)N(Cc1ccccc1)OC(=O)c1ccccc1 ZINC000006040972 KK Annotated Mild COc1c(Br)cc2c(c1OC)[C@H](Br)CCC(Br)(Br)C2=O ZINC000006040978 KK Annotated Reactive NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000006041059 KK Annotated Anodyne NC(=O)[C@H](c1ccccc1)N1O[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000006041061 KK Annotated Anodyne COc1ccc(Oc2cccc([C@@H]3[C@@H]4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)[C@H]4ON3[C@H](C(N)=O)c3ccccc3)c2)cc1 ZINC000006041065 KK Annotated Anodyne Cc1c2ccccc2c([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2Cc2ccc(CC(N)=O)cc2)c2ccccc12 ZINC000006041072 KK Annotated Anodyne C[C@@H]1CNC(c2ccc(CN3CCC(CCCC4CCN(Cc5ccc(C6=N[C@H](C)CN6)cc5)CC4)CC3)cc2)=N1 ZINC000006041081 KK Annotated Anodyne C[C@H]1CNC(c2ccc(CN3CCC(CCCC4CCN(Cc5ccc(C6=N[C@H](C)CN6)cc5)CC4)CC3)cc2)=N1 ZINC000006041082 KK Annotated Anodyne C[C@H]1CNC(c2ccc(CN3CCC(CCCC4CCN(Cc5ccc(C6=N[C@@H](C)CN6)cc5)CC4)CC3)cc2)=N1 ZINC000006041084 KK Annotated Anodyne CC(C)c1cc2c(c3c1O[C@H]1C4=C(C[C@@]5(O)CCCC(C)(C)[C@@H]5CC4)C(=O)C(=O)[C@@]1(C(C)C)O3)C[C@@]1(O)CCCC(C)(C)[C@@H]1CC2 ZINC000006041333 KK Annotated Mild in-vitro biogenic OCC1=C[C@@](COCc2ccccc2)(OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000006041387 KK Annotated Anodyne COc1nc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccc(Br)cc23)cc(C(F)(F)F)c1C#N ZINC000006041447 KK Annotated Mild COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCCBr)OCO2 ZINC000006041491 KK Annotated Reactive C1=CC2(C=CC13O[C@H](C1CCCCC1)[C@@H](C1CCCCC1)O3)O[C@H](C1CCCCC1)[C@@H](C1CCCCC1)O2 ZINC000006041738 KK Annotated Anodyne COc1ccccc1C[C@@H]1OC2(C=CC(=O)C[C@@H]2SC(=O)c2ccccc2)O[C@H]1Cc1ccccc1OC ZINC000006041743 KK Annotated Mild COc1ccccc1C[C@@H]1OC2(C=CC(=O)C[C@H]2SC(=O)c2ccccc2)O[C@H]1Cc1ccccc1OC ZINC000006041744 KK Annotated Mild COc1ccc(C[C@@H]2OC3(C=CC(=O)C[C@@H]3Sc3ccccc3)O[C@H]2Cc2ccc(OC)cc2)cc1 ZINC000006041745 KK Annotated Mild COc1ccc(C[C@@H]2OC3(C=CC(=O)C[C@H]3Sc3ccccc3)O[C@H]2Cc2ccc(OC)cc2)cc1 ZINC000006041746 KK Annotated Mild CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@@]2(O)C=CC(Nc3ccc(Cl)cc3)=C3C(=O)N(c4ccccc4)C(=O)[C@]312 ZINC000006041771 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(Nc3ccc(Cl)cc3)=C3C(=O)N(c4ccccc4)C(=O)[C@]312 ZINC000006041772 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@@]2(O)C=CC(Nc3ccc(Cl)cc3)=C3C(=O)N(c4ccccc4)C(=O)[C@@]312 ZINC000006041773 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)[C@]2(O)C=CC(Nc3ccc(Cl)cc3)=C3C(=O)N(c4ccccc4)C(=O)[C@@]312 ZINC000006041774 KK Annotated Anodyne CNc1nc(N/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000006136070 KK Annotated Mild Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000006142005 KK Annotated Reactive Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(-c2cccnc2)nc2ccccc12 ZINC000006182588 KK Annotated Reactive CCN(CC)CCCN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C(=S)Nc1cccc(Cl)c1 ZINC000006192976 KK Annotated Anodyne CCCCN(CCCC)[P+](N(CCCC)CCCC)(N(CCCC)CCCC)N(CCCC)CCCC ZINC000006472348 KK Annotated Mild CCCN(CCC)[P+](CCC)(c1ccc([P+](CCC)(N(CCC)CCC)N(CCC)CCC)cc1)N(CCC)CCC ZINC000006481814 KK Annotated Mild O=C1CCCC2=C1C(c1cccc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)c1)C1=C(CCCC1=O)O2 ZINC000060001359 KK Annotated Mild C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000060004093 KK Annotated Anodyne in-vivo CC[C@@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000060021256 KK Annotated Anodyne CC[C@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000060021258 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C(=O)C1=C2O[C@H](C(C)(C)O)C1 ZINC000060021259 KK Annotated Mild O=C1c2ccccc2SCC[C@@]12[C@H](c1ccc(Cl)cc1)C(c1ccccc1)=NN2c1cccc(Cl)c1 ZINC000060023055 KK Annotated Anodyne COc1ccc([C@@H]2C(c3ccccc3)=NN(c3cccc(Cl)c3)[C@]23CCSc2ccccc2C3=O)cc1 ZINC000060023060 KK Annotated Anodyne COc1cc(-c2c3n(c4c(=O)oc5cc(OC(C)=O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2OC)ccc1OC(C)=O ZINC000060023821 KK Annotated Anodyne C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC[C@H](C)CCO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000060025385 KK Annotated Mild CC(=O)O[C@H](C[C@@H](OC(C)=O)C(C)(C)O)[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@]12C ZINC000060044897 KK Annotated Anodyne CO[C@@H]1c2cc3c4c([nH]c3cc2C2=CC(C)(C)OC(C)(C)[C@H]21)[C@@]1(C)[C@@H](CC[C@@]2(O)C3=CC(=O)[C@@H]5O[C@@]3(CC[C@@]21C)OC5(C)C)C4 ZINC000060063173 KK Annotated Mild CC1(C)CC2=C(C(=O)c3cc4c5c([nH]c4cc32)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H]6O[C@@]4(CC[C@@]32C)OC6(C)C)C5)C(C)(C)O1 ZINC000060063175 KK Annotated Mild CC1(C)CC2=C(Cc3cc4c5c([nH]c4cc32)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H]6O[C@@]4(CC[C@@]32C)OC6(C)C)C5)C(C)(C)O1 ZINC000060063179 KK Annotated Mild CC1=C[C@@]2(C)[C@H]3C(C)=C[C@@]4(C)C[C@@H](C)CC[C@@H]4[C@H]3C(=O)[C@]23C(=O)N[C@@](O)(Cc2ccc(O)cc2)[C@@H]3[C@H]1C ZINC000060065041 KK Annotated Anodyne COc1cc(OC)c2c(c1)c(-c1c(O)cc3cc4oc(C)cc(=O)c4c(O)c3c1OC)c(O)c1c(=O)cc(C)oc12 ZINC000060091784 KK Annotated Bother CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)CCCC(C)(C)O ZINC000060094852 KK Annotated Anodyne Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)(Nc2nc(C(F)(F)F)cs2)c2ccc(Cl)cn2)c1 ZINC000060094884 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000060178875 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Br)cc1 ZINC000060178876 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000060178877 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(C(F)(F)F)c(Br)c1 ZINC000060178878 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000060178879 KK Annotated Mild Cc1cccc(OC(=O)N(C)SN(C(=O)NC(=O)c2c(F)cccc2F)c2ccc(C(F)(F)F)cc2)c1 ZINC000060178891 KK Annotated Anodyne CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1 ZINC000060178892 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000060178893 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000060178900 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)c(Br)c1 ZINC000060178901 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 ZINC000060178902 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(Br)cc1 ZINC000060178903 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)cc1 ZINC000060178904 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(F)cc1 ZINC000060178906 KK Annotated Mild CS/C(C)=N/OC(=O)N(C)SN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1ccc(Br)cc1 ZINC000060178907 KK Annotated Mild CCC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000060183212 KK Annotated Anodyne in-vitro CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000060183215 KK Annotated Anodyne in-vitro CCC(=C/[C@@H](C)C/C=C/C(C)=C/[C@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000060183217 KK Annotated Anodyne in-vitro CCC[C@@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000060183449 KK Annotated Anodyne in-vitro CCC[C@H](C)/C=C(\C)[C@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000060183450 KK Annotated Anodyne in-vitro CCC[C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000060183451 KK Annotated Anodyne in-vitro CCC[C@H](C)/C=C(\C)[C@@H](O)[C@@H](C)/C=C/CC[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000060183454 KK Annotated Anodyne in-vitro CC(=O)[C@H]1c2c(c(O)c3c(O)cccc3c2-c2c3c(c(O)c4c(O)cccc24)C(=O)C=C(C)[C@H]3C(C)=O)C(=O)C[C@@]1(C)O ZINC000060183954 KK Annotated Mild in-vitro CC(=O)[C@@H]1C(C)=CC(=O)c2c1c(-c1c3c(c(O)c4c(O)cccc14)C(=O)C[C@@](C)(O)[C@@H]3C(C)=O)c1cccc(O)c1c2O ZINC000060183960 KK Annotated Mild in-vitro COc1cc2c3c(O)c1OCc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC3=NCC2)CCN1C ZINC000060184488 KK Annotated Anodyne in-vitro biogenic CCCCN1/C(=C/C=C/C2=[N+](CCCC)c3ccc(Cl)cc3C2(C)C)C(C)(C)c2cc(Cl)ccc21 ZINC000060246818 KK Annotated Clean CO/C(=C/C(N)=O)[C@H](C)[C@H](/C=C/c1csc(-c2csc([C@@H](C)/C=C/[C@@H]3O[C@@H]3C(C)C)n2)n1)OC ZINC000060273633 KK Annotated Anodyne COc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000060274633 KK Annotated Anodyne COc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000060274889 KK Annotated Anodyne COc1ccc(/C=C/C[C@@H]2C[C@H]([C@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000060274892 KK Annotated Anodyne COc1ccc(/C=C/C[C@@H]2C[C@@H]([C@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000060275105 KK Annotated Anodyne COc1ccc(/C=C/C[C@H]2C[C@H]([C@H](O)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000060289653 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326900 KK Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060326901 KK Annotated Anodyne C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327389 KK Annotated Anodyne C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327390 KK Annotated Anodyne CCCCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327395 KK Annotated Anodyne CCCCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060327396 KK Annotated Anodyne Cc1ccc(CCc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000060328408 KK Annotated Anodyne Cc1ccc(CCc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 ZINC000060328409 KK Annotated Anodyne CC(C)CCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328410 KK Annotated Anodyne CC(C)CCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000060328411 KK Annotated Anodyne CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 ZINC000060328776 KK Annotated Anodyne CCC[C@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 ZINC000060328777 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000606241712 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(CCN(C)C)CC1CC1 ZINC000061904320 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)c2cc([C@@H]3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)on2)cc1 ZINC000061904659 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)c2cc([C@H]3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)on2)cc1 ZINC000061904660 KK Annotated Anodyne Cc1ccccc1[C@@H](c1ncccc1C)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061906047 KK Annotated Anodyne Cc1ccccc1[C@H](c1ncccc1C)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000061906048 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)CCCc1ccccc1 ZINC000061906203 KK Annotated Anodyne Cn1cc(CN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC000061906728 KK Annotated Anodyne Cn1cc(CN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)c2ccccc21 ZINC000061906729 KK Annotated Anodyne COc1ccc([C@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2cccs2)cc1 ZINC000061906944 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2cccs2)cc1 ZINC000061906945 KK Annotated Anodyne Cn1cc(CN2CCC(C(=O)N[C@@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)c2ccccc21 ZINC000061907288 KK Annotated Anodyne Cn1cc(CN2CCC(C(=O)N[C@H](c3ccc(-c4ccccc4)cc3)c3cnccn3)CC2)c2ccccc21 ZINC000061907289 KK Annotated Anodyne CCc1nc2ccc(C(=O)NCc3ccccc3OC)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061908399 KK Annotated Anodyne O=C(c1ccco1)N1C[C@@]2(CC(c3ccc(Cl)cc3)=NO2)CN1Cc1ccc(Br)cc1 ZINC000061920875 KK Annotated Anodyne O=C(c1ccco1)N1C[C@]2(CC(c3ccc(Cl)cc3)=NO2)CN1Cc1ccc(Br)cc1 ZINC000061920876 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000061920953 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000061920954 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920997 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061920998 KK Annotated Anodyne Clc1cc(Cl)cc(Nc2ccccc2CN(C/C=C/c2ccc3c(c2)OCO3)Cc2ccccc2)c1 ZINC000061921049 KK Annotated Anodyne COc1ccc(N2c3ccccc3CN(Cc3ccccc3)C[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921051 KK Annotated Anodyne COc1ccc(N2c3ccccc3CN(Cc3ccccc3)C[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000061921052 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCc1ccc(F)cc1 ZINC000061921144 KK Annotated Anodyne Cc1cc(CNC(=O)N2[C@H]3CC[C@@H]2C=C(c2ccc(F)cc2OCc2ccccc2)C3)c(C(F)(F)F)o1 ZINC000061921178 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NCC3CCCCC3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921636 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCC3CCCCC3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000061921637 KK Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921674 KK Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000061921675 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000061921701 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccccc1 ZINC000061921703 KK Annotated Anodyne CCCCN1C[C@H](c2ccc(Br)cc2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000061923196 KK Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C[C@@H]2c2ccc(Br)cc2)cc1 ZINC000061923201 KK Annotated Anodyne CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2CC)ccc1-c1cn(Cc2ccc3ccccc3c2)nn1 ZINC000061923342 KK Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2CC)ccc1-c1cn(Cc2ccc3ccccc3c2)nn1 ZINC000061923346 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061923420 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061923421 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000061923436 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000061923437 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923438 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923441 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061923496 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000061923497 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCc2cccs2)C1 ZINC000061923542 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCc2cccs2)C1 ZINC000061923543 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923544 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCCCCc2ccccc2)C1 ZINC000061923547 KK Annotated Anodyne COc1ccc([C@H]2CN(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000061923595 KK Annotated Anodyne CSC[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 ZINC000061923600 KK Annotated Anodyne COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Br)cc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000061923611 KK Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923663 KK Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@@H](c3ccc(Cl)cc3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923782 KK Annotated Anodyne O=C(OCc1cn([C@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000061923838 KK Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1 ZINC000061923947 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4ccccc4)cc3[C@@H]2C[C@@H]1N(C)C(=S)Nc1ccc(F)cc1 ZINC000061923999 KK Annotated Anodyne CCOC(=O)c1nc2ccc(C)cc2c2c1[C@@H]1C[C@@H](c3c(Cl)cccc31)N2C(=O)OCc1ccccc1 ZINC000061924104 KK Annotated Anodyne CCOC(=O)c1nc2ccc(C)cc2c2c1[C@H]1C[C@H](c3c(Cl)cccc31)N2C(=O)OCc1ccccc1 ZINC000061924107 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(OCc3ccc(OC)cc3)c2S1(=O)=O ZINC000061924305 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(OCc3ccc(OC)cc3)c2S1(=O)=O ZINC000061924307 KK Annotated Anodyne O=C(N[C@@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000061926354 KK Annotated Anodyne O=C(N[C@H](c1ccc(F)cc1)c1ccc2ccccc2n1)C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000061926355 KK Annotated Anodyne CCc1nc2ccc(C(=O)NCCc3ccccn3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000061929011 KK Annotated Anodyne CCc1nc2c(OCC(=O)c3ccc(Cl)cc3Cl)cccn2c1N(C=O)Cc1ccc(OC)cc1 ZINC000061929802 KK Annotated Anodyne COc1ccc([C@@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2ccccc2C)cn1 ZINC000061930826 KK Annotated Anodyne COc1ccc([C@H](NC(=O)C2CCN(CCOc3ccc(Cl)cc3Cl)CC2)c2ccccc2C)cn1 ZINC000061930828 KK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000061931070 KK Annotated Anodyne C[C@@H]1[C@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000061931072 KK Annotated Anodyne O=S1(=O)c2c(Oc3cccc4ccccc34)cccc2O[C@H](COCc2ccccc2)CN1C1CCCC1 ZINC000061931166 KK Annotated Anodyne O=S1(=O)c2c(Oc3cccc4ccccc34)cccc2O[C@@H](COCc2ccccc2)CN1C1CCCC1 ZINC000061931168 KK Annotated Anodyne Cc1cc(Oc2cccc3c2S(=O)(=O)N(C2CCCC2)C[C@H](COCc2ccccc2)O3)cc(C)c1C ZINC000061931169 KK Annotated Anodyne Cc1cc(Oc2cccc3c2S(=O)(=O)N(C2CCCC2)C[C@@H](COCc2ccccc2)O3)cc(C)c1C ZINC000061931171 KK Annotated Anodyne CC(C)c1ccc(Oc2cccc3c2S(=O)(=O)N(C2CCCC2)C[C@H](COCc2ccccc2)O3)cc1 ZINC000061931174 KK Annotated Anodyne CC(C)c1ccc(Oc2cccc3c2S(=O)(=O)N(C2CCCC2)C[C@@H](COCc2ccccc2)O3)cc1 ZINC000061931175 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3cc(C)c(C)c(C)c3)c2S1(=O)=O ZINC000061931206 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3cc(C)c(C)c(C)c3)c2S1(=O)=O ZINC000061931208 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(C(C)C)cc3)c2S1(=O)=O ZINC000061931210 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(C(C)C)cc3)c2S1(=O)=O ZINC000061931211 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(NCc3ccc(OC)cc3)c2S1(=O)=O ZINC000061931243 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(NCc3ccc(OC)cc3)c2S1(=O)=O ZINC000061931246 KK Annotated Anodyne C=CCN1C=CC(=O)[C@@H](OC(=O)Nc2ccc(Br)cc2)[C@H]1c1ccccc1Br ZINC000061936360 KK Annotated Mild CC(C)(C)OC(=O)N(CCc1ccccc1)Cc1ccccc1OCc1cccc(NC(=O)C2CC2)c1 ZINC000061936435 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C)C(C)C ZINC000061945050 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@@H](c2ccccc2)N(c2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000061945338 KK Annotated Anodyne CC[C@H](C)[C@@H]1C=CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)N1Cc1ccccc1 ZINC000061945358 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Br)cc3)C(C(=O)O)=C[C@H]2CC2CCCC2)cc1 ZINC000061947043 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000061947060 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000061947063 KK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947064 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000061947072 KK Annotated Anodyne Cc1ccc([C@H]2C(C(=O)O)=CC[C@@H](c3ccc(Cl)c(Cl)c3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000061947073 KK Annotated Anodyne COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5c(c4)OCCO5)cc23)cc1 ZINC000061949465 KK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(CN5CCOCC5)cc4)ccc3n2C)c1 ZINC000061949467 KK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4cc(OC)c(OC)c(OC)c4)ccc3n2C)c1 ZINC000061949469 KK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3ccc(C(C)=O)cc3)c3cc(-c4cccc5[nH]ccc45)ccc3n2C)c1 ZINC000061949471 KK Annotated Anodyne COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4cccc5[nH]cc(C=O)c45)ccc3n2C)c1 ZINC000061949540 KK Annotated Mild COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(CN5CCOCC5)cc4)ccc3n2C)cc1 ZINC000061949552 KK Annotated Mild COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(OC)c(OC)c4)ccc3n2C)c1 ZINC000061949556 KK Annotated Mild C=C[C@@H]1c2cccc(C)c2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(OC(C)=O)cc2)C1(C#N)C#N ZINC000061949595 KK Annotated Mild COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(Br)cc3C(=O)N12 ZINC000061959426 KK Annotated Anodyne Cc1ccc2c(c1)C(=O)N1[C@H]3c4cc(Br)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2 ZINC000061959428 KK Annotated Anodyne C[C@@]12C(=O)Nc3cc(F)ccc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959430 KK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(F)cc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000061959431 KK Annotated Anodyne Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(Br)cc3C(=O)N12 ZINC000061959457 KK Annotated Anodyne CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 ZINC000061967935 KK Annotated Anodyne Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)n[nH]1 ZINC000617960315 KK Annotated Clean COc1ccc(-c2csc(-n3nc(-c4ccc([N+](=O)[O-])cc4)c(N=Nc4ccc(C(N)=O)cc4)c3O)n2)cc1 ZINC000617978370 KK Annotated Clean Cc1ccc(C(C)C)c(OCC(=O)N=Nc2c(O)[nH]c3c(Br)cc(Br)cc23)c1 ZINC000617989188 KK Annotated Clean O=C(COc1ccc(Br)cc1)N=Nc1c(O)[nH]c2c(Br)cc(Br)cc12 ZINC000617989191 KK Annotated Clean O=C(CC(=O)c1ccccc1/N=C1\C=C(O)C(=O)c2ccccc21)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000617995243 KK Annotated Mild Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1N=Nc1ccc(-c2ccc(N=Nc3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)c(N)c4c3O)c(O)c2)cc1O ZINC000617995267 KK Annotated Clean COc1cc(C)c(C(=O)O[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@@H](O)[C@@H]2O)c(OC)c1 ZINC000618005875 KK Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@@H](O)[C@H]2O)c(OC)c1 ZINC000618005886 KK Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@H](O)[C@@H]2O)c(OC)c1 ZINC000618005887 KK Annotated Mild COc1cc(C)c(C(=O)O[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@H](O)[C@H]2O)c(OC)c1 ZINC000618005889 KK Annotated Mild COc1cc(C)c(C(=O)N[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@H](O)[C@@]2(C)O)c(O)c1 ZINC000618005938 KK Annotated Mild COc1cc(C)c(C(=O)N[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@@H](O)[C@@]2(C)O)c(O)c1 ZINC000618005940 KK Annotated Mild COc1cc(C)c(C(=O)N[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@@H](O)[C@]2(C)O)c(O)c1 ZINC000618005942 KK Annotated Mild COc1cc(C)c(C(=O)N[C@@H]2[C@H](C)O[C@H](O[C@@H]3CC[C@H](C)[C@@H]4[C@@H]3C=C(C)[C@@H]3/C(C)=C/CC/C(C)=C/[C@]5(C)C=C(C(=O)O)[C@H](C)C[C@@]56OC(O)=C(C(=O)[C@]34C)C6=O)[C@H](O)[C@]2(C)O)c(O)c1 ZINC000618005943 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@]21C)[C@]1(C)C[C@@H](O)[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000618006001 KK Annotated Mild CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@H](OC(=N)O)[C@H](O)[C@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000618006111 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@H](OC(=N)O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000618006112 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O[C@H]2C[C@@H](OC(=N)O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000618006113 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@H](OC(=N)O)[C@H](O)[C@@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000618006114 KK Annotated Anodyne CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@H](O[C@H]2C[C@H](OC(=N)O)[C@H](O)[C@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000618006115 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@@]12C)[C@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000618006116 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@@]12C)[C@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]1CC3)[C@@H](C)C(=O)O ZINC000618006117 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C[C@H](O)[C@@]12C)[C@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@H]1CC3)[C@@H](C)C(=O)O ZINC000618006118 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@]2(C)C3=C(C[C@H](O)[C@@]12C)[C@]1(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@H]1CC3)[C@@H](C)C(=O)O ZINC000618006119 KK Annotated Mild CCCCCCCC(=O)C1=C2C=C3C=C(/C=C\C(=O)O)N([C@H]4[C@H](O)[C@@H](O)[C@@H](CCCCCCCCCCCCCCC[C@](C)(O)C(=O)O)O[C@H]4O)C=C3C(=O)[C@]2(C)OC1=O ZINC000618006120 KK Annotated Mild CCCCCCCC(=O)C1=C2C=C3C=C(/C=C\C(=O)O)N([C@H]4[C@H](O)[C@@H](O)[C@@H](CCCCCCCCCCCCCCC[C@](C)(O)C(=O)O)O[C@H]4O)C=C3C(=O)[C@@]2(C)OC1=O ZINC000618006121 KK Annotated Mild CCCCCCCC(=O)C1=C2C=C3C=C(/C=C\C(=O)O)N([C@@H]4[C@H](O)O[C@H](CCCCCCCCCCCCCCC[C@](C)(O)C(=O)O)[C@H](O)[C@@H]4O)C=C3C(=O)[C@]2(C)OC1=O ZINC000618006122 KK Annotated Mild CCCCCCCC(=O)C1=C2C=C3C=C(/C=C\C(=O)O)N([C@@H]4[C@H](O)O[C@H](CCCCCCCCCCCCCCC[C@](C)(O)C(=O)O)[C@H](O)[C@@H]4O)C=C3C(=O)[C@@]2(C)OC1=O ZINC000618006123 KK Annotated Mild CC[C@H]1C[C@@]23OC(O)=C(C(=O)[C@@]4(CC)[C@@H](C=C[C@@H]5[C@@H](O[C@H]6C[C@H](O)[C@@H](NC(=O)c7[nH]c(Cl)cc7Cl)[C@H](C)O6)[C@@H](C)CC[C@H]54)C/C=C/C/C(C)=C/[C@]2(C)C=C1C(=O)O)C3=O ZINC000618006296 KK Annotated Mild CC[C@H]1C[C@@]23OC(O)=C(C(=O)[C@@]4(CC)[C@@H](C=C[C@@H]5[C@@H](O[C@H]6C[C@@H](O)[C@@H](NC(=O)c7[nH]c(Cl)cc7Cl)[C@@H](C)O6)[C@@H](C)CC[C@H]54)C/C=C/C/C(C)=C/[C@]2(C)C=C1C(=O)O)C3=O ZINC000618006301 KK Annotated Mild CC[C@H]1C[C@@]23OC(O)=C(C(=O)[C@@]4(CC)[C@@H](C=C[C@@H]5[C@@H](O[C@H]6C[C@H](O)[C@@H](NC(=O)c7[nH]c(Cl)cc7Cl)[C@@H](C)O6)[C@@H](C)CC[C@H]54)C/C=C/C/C(C)=C/[C@]2(C)C=C1C(=O)O)C3=O ZINC000618006302 KK Annotated Mild CC[C@H]1C[C@@]23OC(O)=C(C(=O)[C@@]4(CC)[C@@H](C=C[C@@H]5[C@@H](O[C@H]6C[C@@H](O)[C@@H](NC(=O)c7[nH]c(Cl)cc7Cl)[C@H](C)O6)[C@@H](C)CC[C@H]54)C/C=C/C/C(C)=C/[C@]2(C)C=C1C(=O)O)C3=O ZINC000618006303 KK Annotated Mild Cc1c(Cl)cccc1Nc1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 ZINC000618007979 KK Annotated Reactive O=C(OCc1ccccc1)N(CCc1nc[nH]n1)C1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000618008635 KK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(C(F)(F)F)ccc5[nH]4)c3)CC2)CC1 ZINC000618009144 KK Annotated Anodyne CC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCN(c3cccc(-c4cc5ccccc5o4)c3)CC2)CC1 ZINC000618009344 KK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1 ZINC000618009375 KK Annotated Reactive CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@@H]2O[C@H]2C(=O)O1 ZINC000618009406 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@@H]2C(=O)O1 ZINC000618009411 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@@H]2O[C@@H]2C(=O)O1 ZINC000618009412 KK Annotated Anodyne CO[C@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@H](C)[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]2/C=C/[C@H](C)[C@H]2C[C@@H](CC(=O)O2)C[C@H]2O[C@H]2C(=O)O1 ZINC000618009413 KK Annotated Anodyne CC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCN(c3ccc(F)c(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618009522 KK Annotated Anodyne CC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCN(c3cccc(-c4cnc5ccccc5n4)c3)CC2)CC1 ZINC000618009819 KK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4[nH]c5ccc(F)cc5c4-c4c(-c5cccc(N6CCC(NCCN7CCN(C(C)C)CC7)CC6)c5)[nH]c5ccc(F)cc45)c3)CC2)CC1 ZINC000618009898 KK Annotated Anodyne CC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCN(c3cccc(-c4cn5ccccc5n4)c3)CC2)CC1 ZINC000618010057 KK Annotated Anodyne CC(C)N1CCN(CCN(C(=O)OC(C)(C)C)C2CCN(c3cccc(-n4cc5ccccc5n4)c3)CC2)CC1 ZINC000618010345 KK Annotated Anodyne FC(F)(F)[C@@H](c1ccccc1)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010354 KK Annotated Anodyne FC(F)(F)[C@H](c1ccccc1)N1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 ZINC000618010355 KK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4nc5ccccc5n4-c4ccc(C(c5ccccc5)c5ccccc5)cc4)c3)CC2)CC1 ZINC000618010421 KK Annotated Anodyne CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(OC(F)(F)F)ccc5[nH]4)c3)CC2)CC1 ZINC000618010480 KK Annotated Anodyne CC[C@H](C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@H]1C ZINC000618011758 KK Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(=O)(=O)NC(C)(C)C)ccc5[nH]4)c3)CC2)CC1 ZINC000618011775 KK Annotated Anodyne CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(C#N)ccc6[nH]5)c4)CC3)CCC2)CC1 ZINC000618011819 KK Annotated Mild CC(C)N1CCN(C2(CNC3CCN(c4cccc(-c5cc6cc(F)ccc6[nH]5)c4)CC3)CCC2)CC1 ZINC000618011821 KK Annotated Anodyne CC(C)N1CCC(NC2CCN(c3cccc(-c4cc5cc(S(=O)(=O)NCc6ccccc6)ccc5[nH]4)c3)CC2)CC1 ZINC000618011822 KK Annotated Anodyne Cc1ccc(N2CCC(NCC3(N4CCN(C(C)C)CC4)CCC3)CC2)cc1-c1cc2cc(F)ccc2[nH]1 ZINC000618011830 KK Annotated Anodyne C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000618012382 KK Annotated Bother CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000618016657 KK Annotated Mild CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)c1ccccc1n2CC ZINC000618016658 KK Annotated Mild CC(C)=CCOc1cc2c(cc1CN(CCCn1ccnc1)Cc1ccccc1C)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 ZINC000618016844 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)Oc2c(OCCOCCO)cccc2[C@H]2OC[C@@]3(C[C@@H]21)CN(C(=O)OC(C)(C)C)CCO3 ZINC000618016847 KK Annotated Anodyne O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1[C@H](O)[C@@H](c2cccc(F)c2)CN1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000618016886 KK Annotated Anodyne COc1ccc(-c2nnsc2C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)cc1 ZINC000618016887 KK Annotated Anodyne CC(C)C[C@@H]1NC(=O)c2cc(Cl)ccc2OC/C=C/CC2(CCN(CC(=O)Nc3ccc4nc(C(F)(F)F)[nH]c4c3)CC2)CNC1=O ZINC000618016964 KK Annotated Anodyne O=C1NCC2(CCCCCCOc3ccc(Cl)cc31)CCN(C(=O)CCc1ccccc1F)CC2 ZINC000618016985 KK Annotated Anodyne Cc1nc(C(=O)N2CCN(C(C)C)CCCN(S(C)(=O)=O)c3cc(Cl)ccc3C2)c(-c2ccccc2)s1 ZINC000618016989 KK Annotated Anodyne COCC(=O)N1CCCCCCCCN(C(=O)c2noc(C)c2COc2ccc(F)cc2)Cc2ccccc21 ZINC000618017026 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1CC1CCCCC1 ZINC000618017032 KK Annotated Reactive Cc1ccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 ZINC000618017044 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1C1CCCCC1 ZINC000618017068 KK Annotated Reactive COc1ccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 ZINC000618017071 KK Annotated Reactive COc1ccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 ZINC000618017074 KK Annotated Reactive Fc1ccc2[nH]c(-c3cccc(N4CCC(NCc5ccccc5I)CC4)c3)cc2c1 ZINC000618017105 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1cc2ccccc2o1 ZINC000618017156 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000618017179 KK Annotated Reactive Cc1cc2cc(OCC(=O)N3CCO[C@@]4(CCCCc5ccccc5OCCN(Cc5ccccc5)C4=O)C3)ccc2n1C ZINC000618017193 KK Annotated Anodyne Cc1cc2cc(OCC(=O)N3CCO[C@]4(CCCCc5ccccc5OCCN(Cc5ccccc5)C4=O)C3)ccc2n1C ZINC000618017195 KK Annotated Anodyne CC(C)N1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3csc(-c4ccccc4)n3)CCO2)C1=O ZINC000618017226 KK Annotated Anodyne CC(C)N1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3csc(-c4ccccc4)n3)CCO2)C1=O ZINC000618017227 KK Annotated Anodyne CC(=O)N1CCC[C@H](c2cncc(CCC(=O)N3CCCCCCCCN(Cc4ccccc4)c4ccccc4C3)n2)C1 ZINC000618017228 KK Annotated Anodyne CC(=O)N1CCC[C@@H](c2cncc(CCC(=O)N3CCCCCCCCN(Cc4ccccc4)c4ccccc4C3)n2)C1 ZINC000618017229 KK Annotated Anodyne CCCCN1CCOc2ccccc2CCCC[C@]2(CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)C1=O ZINC000618017235 KK Annotated Anodyne CCCCN1CCOc2ccccc2CCCC[C@@]2(CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)C1=O ZINC000618017236 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000618017269 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000618017278 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000618017284 KK Annotated Reactive CCCC(=O)N1CCCCn2cc(nn2)CN(Cc2ccccc2)c2oc(nc2Cc2ccccc2)[C@H]1CC ZINC000618017356 KK Annotated Anodyne CCCC(=O)N1CCCCn2cc(nn2)CN(Cc2ccccc2)c2oc(nc2Cc2ccccc2)[C@@H]1CC ZINC000618017366 KK Annotated Anodyne Cc1ccc(N2CCC(NCC3(N4CCN(C(C)C)CC4)CCC3)CC2)cc1-c1cc2cc(C#N)ccc2[nH]1 ZINC000618017436 KK Annotated Mild CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1Cc1cccc(Oc2ccccc2)c1 ZINC000618017447 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618017453 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 ZINC000618017456 KK Annotated Reactive COCC(=O)N1CCCCCCCCN(C(=O)Cc2cc(Cl)c3c(c2)OCCO3)Cc2ccccc21 ZINC000618017466 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000618017495 KK Annotated Reactive CC(C)N1CCOc2ccccc2CCCCC2(CCN(C(=O)Cc3scnc3-c3ccc(F)cc3)CC2)C1=O ZINC000618017533 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(OC(F)(F)F)cc1 ZINC000618017573 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cccc(OC(F)(F)F)c1 ZINC000618017618 KK Annotated Reactive Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1cc(C(C)C)[nH]n1)CCOCCO2 ZINC000618017696 KK Annotated Anodyne O=C(c1cc2cccc(F)c2[nH]1)N1CCO[C@]2(CCCCc3ccccc3OCCN(Cc3ccccc3)C2=O)C1 ZINC000618017727 KK Annotated Anodyne O=C(c1cc2cccc(F)c2[nH]1)N1CCO[C@@]2(CCCCc3ccccc3OCCN(Cc3ccccc3)C2=O)C1 ZINC000618017729 KK Annotated Anodyne COc1cccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618017742 KK Annotated Reactive COc1cccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618017743 KK Annotated Reactive COCC(=O)N1CCCN(C)CCN(C(=O)c2ccc3c(c2)C[C@@](C)(Cc2cccc(F)c2Cl)O3)Cc2ccccc21 ZINC000618017755 KK Annotated Anodyne COCC(=O)N1CCCN(C)CCN(C(=O)c2ccc3c(c2)C[C@](C)(Cc2cccc(F)c2Cl)O3)Cc2ccccc21 ZINC000618017759 KK Annotated Anodyne N#Cc1ccc2[nH]c(-c3cccc(N4CCC(NCc5ccccc5I)CC4)c3)cc2c1 ZINC000618017774 KK Annotated Mild Cc1nn(C)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CCCCCCCCN(Cc3ccccc3)c3ccccc3C2)C1 ZINC000618017794 KK Annotated Anodyne Cc1nn(C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCCCCCCCN(Cc3ccccc3)c3ccccc3C2)C1 ZINC000618017795 KK Annotated Anodyne O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCC2(CCCCc3ccccc3OC[C@@H]3CCCN3C2=O)CC1 ZINC000618017809 KK Annotated Anodyne O=C(CCCc1nc(O)c2ccccc2n1)N1CCC2(CCCCc3ccccc3OC[C@@H]3CCCN3C2=O)CC1 ZINC000618018040 KK Annotated Anodyne COc1cccc(-c2nc(CC(=O)N3CCC4(CCCCc5ccccc5OCCCNC4=O)CC3)cs2)c1 ZINC000618018046 KK Annotated Anodyne COc1ccccc1N(C)CCC(=O)N1CCCCCCCCN(C(=O)CC(C)C)c2ccccc2C1 ZINC000618018151 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)ccc2O)C1 ZINC000618018177 KK Annotated Reactive Cc1cccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000618018325 KK Annotated Reactive CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)N3CCCCCCCCN(Cc4ccccc4)c4ccccc4C3)cn2)C1 ZINC000618018357 KK Annotated Anodyne CS(=O)(=O)N1CC[C@H](n2cc(C(=O)N3CCCCCCCCN(Cc4ccccc4)c4ccccc4C3)cn2)C1 ZINC000618018358 KK Annotated Anodyne Cc1sc(NC(=O)CN2CCC3(C/C=C/CNC(=O)c4ccccc4OC[C@@H](C(C)C)NC3=O)CC2)nc1-c1ccc(F)cc1 ZINC000618018382 KK Annotated Anodyne CCS(=O)(=O)c1ccc(OC)c(Nc2cn(-c3ccc(NC(N)=O)c(-c4cccc5ccccc45)c3)nn2)c1 ZINC000062154147 KK Annotated Anodyne O=C(Nc1cc(F)cc(F)c1)N1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)[C@H]2c1ccccn1 ZINC000062213013 KK Annotated Anodyne O=C(Nc1ccc(F)c(F)c1)N1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)[C@H]2c1ccccn1 ZINC000062213015 KK Annotated Anodyne CN(C)c1ccc(C[C@@H](/C(=N/OC(=O)Nc2cccc(Cl)c2)C2CCCCC2)C2CCCCC2)cc1 ZINC000062224284 KK Annotated Mild O=C(Nc1ccccc1)O/N=C(\C1CCCCC1)[C@@H](CN1CCN(c2ccccc2)CC1)C1CCCCC1 ZINC000062224349 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000062227685 KK Annotated Mild in-vitro COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000062227687 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000062227688 KK Annotated Mild COC(=O)c1ccc(-c2ccc(Nc3nnc(Nc4ccc(C5=NCCN5)cc4)c4ccccc34)cc2)cc1 ZINC000062242138 KK Annotated Anodyne O=C(CC[C@@]1(CCOC(=O)Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000621429215 KK Annotated Reactive O=C(CC[C@]1(CCOC(=O)Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000621429216 KK Annotated Reactive CC1CC2CC(C)CC(C1)C21OO[C@](CCC(=O)NCCCN2CCCC2=O)([C@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 ZINC000621429248 KK Annotated Reactive CC1CC2CC(C)CC(C1)C21OO[C@@](CCC(=O)NCCCN2CCCC2=O)([C@@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 ZINC000621429249 KK Annotated Reactive CC1CC2CC(C)CC(C1)C21OO[C@@](CCC(=O)NCCCN2CCCC2=O)([C@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 ZINC000621429250 KK Annotated Reactive CC1CC2CC(C)CC(C1)C21OO[C@](CCC(=O)NCCCN2CCCC2=O)([C@@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 ZINC000621429251 KK Annotated Reactive COc1ccc([C@H](C[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000621429265 KK Annotated Reactive COc1ccc([C@H](C[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000621429266 KK Annotated Reactive COc1ccc([C@@H](C[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000621429267 KK Annotated Reactive COc1ccc([C@@H](C[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 ZINC000621429268 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)c2ncccc2c1 ZINC000621430249 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)c2ncccc2c1 ZINC000621430250 KK Annotated Reactive O=C(CC[C@]1(CCOC(=O)N2CCCC[C@@H]2[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000621430396 KK Annotated Reactive O=C(CC[C@]1(CCOC(=O)N2CCCC[C@H]2[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000621430397 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)O[C@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000621430810 KK Annotated Reactive COc1cc(N[C@H](C)CCCNC(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000621430811 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000621430812 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)O[C@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 ZINC000621430813 KK Annotated Reactive O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000621430835 KK Annotated Reactive O=C(O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000621430836 KK Annotated Reactive O=C(O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000621430837 KK Annotated Reactive O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000621430838 KK Annotated Reactive C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)c1ccc(O)cc1 ZINC000621430930 KK Annotated Anodyne C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)c1ccc(O)cc1 ZINC000621430931 KK Annotated Anodyne C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)c1ccc(O)cc1 ZINC000621430932 KK Annotated Anodyne C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)c1ccc(O)cc1 ZINC000621430933 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@@H]1OC(=O)[C@H](OC)[C@H]1OC(=O)[C@@H](OC)c1ccccc1 ZINC000621430971 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@@H]1OC(=O)[C@H](OC)[C@H]1OC(=O)[C@H](OC)c1ccccc1 ZINC000621430972 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@@H]1OC(=O)[C@H](OC)[C@@H]1OC(=O)[C@H](OC)c1ccccc1 ZINC000621430973 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@H](/C=C/C(C)C)[C@@H]1OC(=O)[C@H](OC)[C@@H]1OC(=O)[C@@H](OC)c1ccccc1 ZINC000621430974 KK Annotated Mild O=C(CC[C@@]1(CCOC(=O)Oc2cccc3cc(C(=O)Nc4cccc(-c5cn6ccccc6n5)c4)c(=O)oc23)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O ZINC000621431246 KK Annotated Reactive O=C(COc1c(F)c(F)cc(F)c1F)Cn1cc(C2(NC(=O)OC3C4CC5CC(C4)CC3C5)CCCCC2)nn1 ZINC000621431587 KK Annotated Anodyne CC(C)(C)[C@H]1C[C@H](OC(=O)Nc2cc(Cl)ccc2Cl)C[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621431780 KK Annotated Reactive CCCCC[C@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 ZINC000621431820 KK Annotated Reactive CCCCC[C@@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 ZINC000621431821 KK Annotated Reactive CCCCC[C@@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 ZINC000621431822 KK Annotated Reactive CCCCC[C@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 ZINC000621431823 KK Annotated Reactive CCCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 ZINC000621431827 KK Annotated Reactive CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 ZINC000621431828 KK Annotated Reactive CCCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 ZINC000621431829 KK Annotated Reactive CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 ZINC000621431830 KK Annotated Reactive CN(C(=O)c1cccc(CC2CCCCC2)n1)c1ccc(C(=O)N2CCOCC2)cc1Cc1ccccc1 ZINC000621432740 KK Annotated Anodyne CC(C)(C)c1cc(C(=O)Nc2nc(CNC(=O)OCC[C@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)cs2)n(Cc2ccccc2)n1 ZINC000621432761 KK Annotated Reactive CC(C)(C)c1cc(C(=O)Nc2nc(CNC(=O)OCC[C@@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)cs2)n(Cc2ccccc2)n1 ZINC000621432762 KK Annotated Reactive CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)N3CCC4(CC3)OOC3(O4)[C@H]4CC5C[C@H]3CC(OS(=O)(=O)c3cccc6c(N(C)C)cccc36)(C5)C4)cc2)cc1 ZINC000621432778 KK Annotated Reactive CCN(CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12)c1cccc(C)c1 ZINC000621438308 KK Annotated Anodyne CCN(CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12)c1cccc(C)c1 ZINC000621438309 KK Annotated Anodyne CCN(C(=O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1)c1cccc(C)c1 ZINC000621441253 KK Annotated Anodyne O=C(Nc1cc(Cl)ccc1Cl)O[C@H]1C[C@@H](OC(=O)Nc2cc(Cl)ccc2Cl)C[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621443149 KK Annotated Reactive COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621476053 KK Annotated Reactive COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621476054 KK Annotated Reactive COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621476055 KK Annotated Reactive COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621476056 KK Annotated Reactive CS(=O)(=O)NC(=O)CCN1c2ccc(Br)cc2C2(CCCCC2)c2cc(Br)ccc21 ZINC000621476069 KK Annotated Anodyne Brc1ccc2c(c1)C1(CCCCC1)c1cc(Br)ccc1N2CCc1nn[nH]n1 ZINC000621476074 KK Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@]2(COC3(O2)C2CC4CC(C2)CC3C4)C1 ZINC000621476097 KK Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@@]2(COC3(O2)C2CC4CC(C2)CC3C4)C1 ZINC000621476098 KK Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@]2(COC3(O2)C2CC4CC(C2)CC3C4)C1 ZINC000621476099 KK Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@@]2(COC3(O2)C2CC4CC(C2)CC3C4)C1 ZINC000621476100 KK Annotated Anodyne C#Cc1ccc(S(=O)(=O)NC(=O)CCN2c3ccc(Br)cc3C3(CCCCC3)c3cc(Br)ccc32)cc1 ZINC000621476125 KK Annotated Mild CN(C)c1cccc2c(S(=O)(=O)NC34CC5C[C@@H](C3)C3(OOC6(CCCCC6)O3)[C@@H](C5)C4)cccc12 ZINC000621476140 KK Annotated Reactive O=C(O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Nc2ccc(Br)cc2)c1 ZINC000621476148 KK Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 ZINC000621476150 KK Annotated Anodyne COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 ZINC000621476151 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)NC34CC5C[C@@H](C3)C3(OCC6(CCCCC6)O3)[C@@H](C5)C4)cccc12 ZINC000621476157 KK Annotated Anodyne O=C(O)CC[C@@H](CN1c2ccc(Br)cc2C2(CCCCC2)c2cc(Br)ccc21)C(=O)O ZINC000621476337 KK Annotated Anodyne O=C(O)CC[C@H](CN1c2ccc(Br)cc2C2(CCCCC2)c2cc(Br)ccc21)C(=O)O ZINC000621476338 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476363 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476364 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476365 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476366 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476397 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476398 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476399 KK Annotated Reactive COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 ZINC000621476400 KK Annotated Reactive CCOC(=O)c1cc(Br)cc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c1 ZINC000621476437 KK Annotated Anodyne O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@H]1[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000621476441 KK Annotated Reactive COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)OCC[C@@]1(CCC(=O)NCCCN2CCCC2=O)OOC2(O1)C1CC3CC(C1)CC2C3 ZINC000621476447 KK Annotated Reactive O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCOC(=O)CCCCCn1cc(-c2ccc(OCC(=O)N[C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)cc4)CC3)cc2)nn1 ZINC000621476457 KK Annotated Anodyne O=C(CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCCOC(=O)CCCCCn1cc(-c2cc(OCC(=O)N[C@@H]3CC[C@@H](NC(=O)COc4ccc(Cl)cc4)CC3)ccc2Cl)nn1 ZINC000621476463 KK Annotated Anodyne C#CCN(C(=O)c1cc(-c2ccco2)on1)c1cnn(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1 ZINC000621476540 KK Annotated Mild COC(=O)c1cc(NC(=O)c2ccc(N3C(=O)c4cccc5c(Br)ccc(c45)C3=O)cc2)cc(C(=O)OC)c1 ZINC000621476562 KK Annotated Anodyne CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(Br)cc1 ZINC000621477414 KK Annotated Reactive CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1ccc(Br)cc1 ZINC000621477415 KK Annotated Reactive CC(C)c1cc([C@@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc(C(C)C)c1N ZINC000621477613 KK Annotated Reactive CC(C)c1cc([C@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc(C(C)C)c1N ZINC000621477620 KK Annotated Reactive CC(C)N(C[C@H](O)c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000621477676 KK Annotated Anodyne CC(C)N(C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000621477677 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCNC(=O)CC[C@@]1(CCOC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)OOC2(O1)C1CC3CC(C1)CC2C3 ZINC000621477696 KK Annotated Reactive COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@](c2cc(C(C)C)c(N)c(C(C)C)c2)(C(F)(F)F)N3)cc1 ZINC000621477728 KK Annotated Reactive COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@@](c2cc(C(C)C)c(N)c(C(C)C)c2)(C(F)(F)F)N3)cc1 ZINC000621477731 KK Annotated Reactive O=C(N[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1)c1cc(-c2ccco2)on1 ZINC000621477855 KK Annotated Anodyne O=C(N[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)C1)c1cc(-c2ccco2)on1 ZINC000621477856 KK Annotated Anodyne O=C(NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CC1)c1cc(-c2ccco2)on1 ZINC000621477880 KK Annotated Anodyne O=[N+]([O-])c1cc(N(c2nc3nonc3nc2N(c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)[N+](=O)[O-])[N+](=O)[O-])cc(Cl)c1Cl ZINC000621477890 KK Annotated Bother CC(C)(C)OC(=O)NCCCNC(=O)CC[C@@]1(CCOC(=O)OC[C@H]2CN(c3ccc([C@@H]4[C@@H]5CS(=O)(=O)C[C@@H]54)c(F)c3)C(=O)O2)OOC2(O1)C1CC3CC(C1)CC2C3 ZINC000621477891 KK Annotated Reactive CC(C)(C)OC(=O)NCCCNC(=O)CC[C@@]1(CCOC(=O)OC[C@H]2CN(c3ccc([C@H]4[C@@H]5CS(=O)(=O)C[C@@H]54)c(F)c3)C(=O)O2)OOC2(O1)C1CC3CC(C1)CC2C3 ZINC000621477892 KK Annotated Reactive N=C1NC[C@@H](CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000621478093 KK Annotated Anodyne CC1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CC3CCC(C(C)(C)C)CC3)C[C@H]2Cc2ccc3ccccc3c2)CC1 ZINC000621478095 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CC3CCC(C(C)(C)C)CC3)C2=N)cc1 ZINC000621478114 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CC3CCC(C(C)(C)C)CC3)C2=N)cc1 ZINC000621478115 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@H](OC(=O)N5CCC[C@H](c6ccc(-n7cc8cccc(C(N)=O)c8n7)cc6)C5)C4)O1)[C@@H](C3)C2 ZINC000621478116 KK Annotated Reactive CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)N5CCC[C@H](c6ccc(-n7cc8cccc(C(N)=O)c8n7)cc6)C5)C4)O1)[C@@H](C3)C2 ZINC000621478117 KK Annotated Reactive N=C1NC[C@@H](CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)N1CCc1ccc(-c2ccccc2)cc1 ZINC000621478118 KK Annotated Anodyne N=C1NC[C@@H](CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000621478124 KK Annotated Anodyne N=C1N(CCC[C@@H]2CNC(=N)N2CCc2ccc(Cl)c(Cl)c2)C[C@H](CC2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1 ZINC000621478129 KK Annotated Anodyne N=C1N(CCC[C@@H]2CNC(=N)N2CCc2ccc(-c3ccccc3)cc2)C[C@H](CC2CCCCC2)N1CCc1ccc(-c2ccccc2)cc1 ZINC000621478181 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CC3CCC(C(C)(C)C)CC3)C2=N)cc1 ZINC000621478187 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CC3CCC(C(C)(C)C)CC3)C2=N)cc1 ZINC000621478188 KK Annotated Anodyne N=C1NC[C@@H](CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)N1CCc1ccc(-c2ccccc2)cc1 ZINC000621478200 KK Annotated Anodyne O=C(COCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)Nc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000621478230 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(-c4ccccc4)cc3)C[C@H]2Cc2ccc3ccccc3c2)CC1 ZINC000621478231 KK Annotated Anodyne Cc1cc(OCc2nn(C)c(OC3CCCC3)c2-c2cccnc2)ccc1C#CCO[C@@H]1CCCCO1 ZINC000621478238 KK Annotated Mild Cc1cc(OCc2nn(C)c(OC3CCCC3)c2-c2cccnc2)ccc1C#CCO[C@H]1CCCCO1 ZINC000621478239 KK Annotated Mild N=C1N(CCC[C@@H]2CNC(=N)N2CCc2ccc(-c3ccccc3)cc2)C[C@H](CC2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1 ZINC000621478242 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)cc1 ZINC000621478262 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)cc1 ZINC000621478263 KK Annotated Anodyne Cc1cc(OCc2c(-c3cccnc3)c(OC3CCCC3)nn2CCO[C@H]2CCCCO2)ccc1C#CCO[C@H]1CCCCO1 ZINC000621478264 KK Annotated Mild Cc1cc(OCc2c(-c3cccnc3)c(OC3CCCC3)nn2CCO[C@@H]2CCCCO2)ccc1C#CCO[C@@H]1CCCCO1 ZINC000621478265 KK Annotated Mild Cc1cc(OCc2c(-c3cccnc3)c(OC3CCCC3)nn2CCO[C@H]2CCCCO2)ccc1C#CCO[C@@H]1CCCCO1 ZINC000621478266 KK Annotated Mild Cc1cc(OCc2c(-c3cccnc3)c(OC3CCCC3)nn2CCO[C@@H]2CCCCO2)ccc1C#CCO[C@H]1CCCCO1 ZINC000621478267 KK Annotated Mild CC(C)(C)C1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(Cl)c(Cl)c3)C[C@H]2Cc2ccc3ccccc3c2)CC1 ZINC000621478270 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)CC1 ZINC000621478278 KK Annotated Anodyne CC1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(Cl)c(Cl)c3)C[C@@H]2CC2CCCCC2)CC1 ZINC000621478292 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CC3CCC(C)CC3)C2=N)cc1 ZINC000621478305 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CC3CCC(C)CC3)C2=N)cc1 ZINC000621478306 KK Annotated Anodyne CC(C)[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N[C@@H](Cc1ccc(N(C(=O)CCC2CCCC2)c2nc(CN3CCN(C(=O)CCC4CCCC4)CC3)cs2)cc1)C(N)=O ZINC000621478337 KK Annotated Anodyne CN(CCN(C)C(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)[C@H]2CC3C[C@H]1CC(C(=O)NCCCNC(=O)OC(C)(C)C)(C3)C2)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 ZINC000621478388 KK Annotated Reactive CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)cc1 ZINC000621478389 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)cc1 ZINC000621478390 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CC3CCC(C(C)(C)C)CC3)C2=N)CC1 ZINC000621478419 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)N5CCN(c6cc7c(cc6F)c(=O)c(C(=O)O)cn7C6CC6)CC5)C4)O1)[C@@H](C3)C2 ZINC000621478424 KK Annotated Reactive CC1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(Cl)c(Cl)c3)C[C@H]2Cc2ccc3ccccc3c2)CC1 ZINC000621478432 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)CC1 ZINC000621478448 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)cc1 ZINC000621478455 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)cc1 ZINC000621478456 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)CC1 ZINC000621478457 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(-c4ccccc4)cc3)C[C@@H]2CC2CCCCC2)CC1 ZINC000621478458 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)cc1 ZINC000621478480 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@H](CC3CCCCC3)N(CCc3ccc(Cl)c(Cl)c3)C2=N)cc1 ZINC000621478481 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CC3CCC(C)CC3)C2=N)cc1 ZINC000621478485 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CC3CCC(C)CC3)C2=N)cc1 ZINC000621478486 KK Annotated Anodyne CC1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(-c4ccccc4)cc3)C[C@H]2Cc2ccc3ccccc3c2)CC1 ZINC000621478487 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)NC[C@H]2CCCN2C[C@@H](Cc3ccc4ccccc4c3)N(CCc3ccc(-c4ccccc4)cc3)C2=N)CC1 ZINC000621478492 KK Annotated Anodyne Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)O[C@@H]5CCC[C@]6(C5)OOC5(O6)[C@H]6CC7C[C@H]5CC(C(=O)NCCCNC(=O)OC(C)(C)C)(C7)C6)OC4=O)cc3F)cn2)n1 ZINC000621478493 KK Annotated Reactive N=C1N(CCC[C@@H]2CNC(=N)N2CCc2ccc(Cl)c(Cl)c2)C[C@H](CC2CCCCC2)N1CCc1ccc(-c2ccccc2)cc1 ZINC000621478496 KK Annotated Anodyne Cc1cc(OCc2c(-c3cccnc3)c(OC3CCCC3)nn2C)ccc1C#CCO[C@@H]1CCCCO1 ZINC000621478503 KK Annotated Mild Cc1cc(OCc2c(-c3cccnc3)c(OC3CCCC3)nn2C)ccc1C#CCO[C@H]1CCCCO1 ZINC000621478504 KK Annotated Mild CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)C4)O1)[C@@H](C3)C2 ZINC000621478516 KK Annotated Reactive CC[C@@H](C)[C@@H](NC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N[C@@H](Cc1ccc(Nc2nc(CN3CCN(C(=O)c4ccc(C)cc4)CC3)cs2)cc1)C(N)=O ZINC000621478540 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(Cl)c(Cl)c3)C[C@@H]2CC2CCCCC2)CC1 ZINC000621478543 KK Annotated Anodyne CC(C)(C)C1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CC3CCC(C(C)(C)C)CC3)C[C@@H]2CC2CCCCC2)CC1 ZINC000621478546 KK Annotated Anodyne CC1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CCc3ccc(-c4ccccc4)cc3)C[C@@H]2CC2CCCCC2)CC1 ZINC000621478563 KK Annotated Anodyne CC1CCC(CN2C(=N)N(CCC[C@@H]3CNC(=N)N3CC3CCC(C(C)(C)C)CC3)C[C@@H]2CC2CCCCC2)CC1 ZINC000621478564 KK Annotated Anodyne O=C(CCCCCCC(=O)Nc1ccccc1)NC[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000621485612 KK Annotated Reactive COc1cccc([C@H]2C[C@H](NC(=O)CCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000621485657 KK Annotated Reactive COc1cccc([C@@H]2C[C@H](NC(=O)CCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 ZINC000621485658 KK Annotated Reactive O=C(CCCCCCC(=O)Nc1ccccc1)NO[C@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 ZINC000621485686 KK Annotated Anodyne O=C(CCCCCCC(=O)Nc1ccccc1)NO[C@@H]1CCC[C@]2(C1)OCC1(O2)C2CC3CC(C2)CC1C3 ZINC000621485687 KK Annotated Anodyne COC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C4)O1)[C@@H](C3)C2 ZINC000621485881 KK Annotated Reactive CC(C)(C)[Si](O[C@@H]1CCC[C@]2(C1)OOC1(O2)[C@H]2CC3C[C@H]1CC(C(=O)NCc1ccccc1)(C3)C2)(c1ccccc1)c1ccccc1 ZINC000621485890 KK Annotated Reactive Cc1noc(C)c1-c1ccc([C@@H]2CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C[C@H]2C(=O)NCCSSCCN(C)C)cc1 ZINC000621485906 KK Annotated Reactive COC1=C(O)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000062592036 KK Annotated Mild in-vitro metabolite O=C1Nc2cc(CCOc3ccc(N4CCOCC4)cc3)ccc2Nc2cc(-c3cn(Cc4cc(F)c(F)c(F)c4)c4cnccc34)ccc21 ZINC000063298575 KK Annotated Clean Cc1ccc2c(Nc3cc(OCc4ccccc4Br)ccc3Sc3ccc(O)cc3)ncnc2n1 ZINC000063539465 KK Annotated Anodyne CCCCOc1ccc(C(C)(C)CC)cc1S(=O)(=O)Nc1ccc(-c2csc3ncnc(N)c23)cc1 ZINC000063539601 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064235535 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064235537 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064235538 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064235540 KK Annotated Anodyne CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3cccnc3)c(CCc3ccccc3)c2c1)c1ccccc1 ZINC000064235544 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccccc3)c2C1=O ZINC000064235621 KK Annotated Mild O=[N+]([O-])c1ccc(/C(=C/SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000064235639 KK Annotated Bother CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)CCCCCc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000064235825 KK Annotated Anodyne OC(/C=C\c1ccc(Cl)c(Cl)c1)=N\CCCCCN1CCC[C@@H](CCC/N=C(/O)c2sc3ccccc3c2Cl)C1 ZINC000064245783 KK Annotated Mild O=[N+]([O-])c1ccc(Nc2nc(N/N=C\c3ccccc3I)nc(Nc3ccccc3)n2)cc1 ZINC000064251740 KK Annotated Mild OC(/C=C\c1ccc(Cl)c(Cl)c1)=N\CCCCCN1CCC(CC/N=C(/O)c2ccc3c(c2)OCO3)CC1 ZINC000064251996 KK Annotated Mild CC(C)(Oc1ccc(C(F)(F)F)cn1)C(=O)NC[C@@](C)(Cc1ccc(Cl)cc1)c1cccc(Br)c1 ZINC000064256510 KK Annotated Anodyne COc1ccc(Nc2nc(N/N=C\c3cc4c(cc3Br)OCO4)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000064264546 KK Annotated Mild N#Cc1ccc(/C=C\C(O)=N\C2CCC(CCN3CCc4ccc(-c5cnccn5)cc4CC3)CC2)cc1 ZINC000064287028 KK Annotated Mild C[C@@H](Oc1cccc(C(=O)O)c1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000064311487 KK Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064321115 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064321117 KK Annotated Mild C[C@H](Nc1ccc(C(=O)O)cc1)c1ccc(OCc2c(-c3c(Cl)cccc3Cl)noc2C2CC2)nc1C(F)(F)F ZINC000064348832 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](OC(C)=O)[C@](C)(OC(C)=O)[C@H]1/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000064348972 KK Annotated Mild C/C=C(\C)C[C@@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000064361271 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]23C[C@@H]4CCC(C)(C)C[C@@]4(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000064361460 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]23C[C@H]4CCC(C)(C)C[C@@]4(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C ZINC000064361462 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064361486 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064361489 KK Annotated Mild CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000064361539 KK Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)O1 ZINC000064361560 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3ccc(/C(N)=N/O)cc3)cc2)O1 ZINC000064361563 KK Annotated Mild CC(C)C[C@H]1C(=O)N(COC(=O)[C@@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064361672 KK Annotated Anodyne C=C(C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000064372939 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H]3O[C@]4(C[C@H](C)C(C)(C)O4)[C@](C)(O)[C@@H]32)[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000064373108 KK Annotated Anodyne CCN1CCN(CCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000064373206 KK Annotated Anodyne C=C(CNCCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCCc6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000064373238 KK Annotated Mild C=C(CNCCc1ccc(O)cc1)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCCO)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000064373240 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)O1 ZINC000064379366 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3cccc(/C(N)=N/O)c3)cc2)O1 ZINC000064379369 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccccc3/C(N)=N/O)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064379394 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Nc3ccccc3/C(N)=N/O)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064379396 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064379462 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000064379465 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC(=O)/C(=C(C)\C=C\[C@H]4[C@H](C(C)(C)O)C[C@@H](O)[C@]4(C)O)[C@@]3(C)CC[C@H]2C1(C)C ZINC000064380865 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H]3O[C@@]4(C[C@H](C)C(C)(C)O4)[C@](C)(O)[C@@H]32)[C@@H]2CC[C@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@@H]12 ZINC000064380880 KK Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3ccccc3/C(N)=N/O)cc2)O1 ZINC000064380892 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(Nc3ccccc3/C(N)=N/O)cc2)O1 ZINC000064380893 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)O1 ZINC000064394285 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N/O)cc2)=C(c2ccc(/C=C/c3ccc(/C(N)=N/O)cc3)cc2)O1 ZINC000064394287 KK Annotated Mild COC(=O)c1ccccc1-c1c2cc([N+](=O)[O-])c(=O)c(Br)c-2oc2c(Br)c(O)c([N+](=O)[O-])cc12 ZINC000064415706 KK Annotated Bother Cc1c2oc3c(C)c(O)c(I)cc3c(-c3ccccc3C(=O)O)c-2cc(I)c1=O ZINC000064415826 KK Annotated Bother CO/N=C/c1cccc([C@]23CC[C@H](N(CCN(C(C)C)C(C)C)C(=O)Nc4ccc(F)c(Cl)c4)C[C@H]2C3)c1 ZINC000064416984 KK Annotated Mild O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2ccc(=O)cc-2oc2cc(O)c3ccccc3c12 ZINC000064417380 KK Annotated Bother COC(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)\C=C\C=C(C)\C=C\CC(C)(C)OC ZINC000064426309 KK Annotated Bother O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2c3ccccc3c(=O)cc-2oc2cc(O)c3ccccc3c12 ZINC000064426449 KK Annotated Bother CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1cc(Br)c(N)c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064436273 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1cc(Br)c(N)c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064436275 KK Annotated Anodyne COc1ccc([C@@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccc(Br)cc3)C2(C)C)cc1 ZINC000064436518 KK Annotated Anodyne COc1ccc([C@H]2N(C(=O)COc3cccc4cccnc34)N=C(c3ccc(Br)cc3)C2(C)C)cc1 ZINC000064436520 KK Annotated Anodyne CC1(C)C(c2ccc(Br)cc2)=NN(C(=O)COc2cccc3cccnc23)[C@H]1c1ccccc1 ZINC000064436521 KK Annotated Anodyne CC1(C)C(c2ccc(Br)cc2)=NN(C(=O)COc2cccc3cccnc23)[C@@H]1c1ccccc1 ZINC000064436523 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)COCCn1cc(F)c(N)nc1=O ZINC000064436627 KK Annotated Mild Cc1cccc(OCc2ccccc2-c2nn(CNc3ccc(Cl)cc3C(=O)C(F)(F)F)c(=S)o2)c1 ZINC000064436632 KK Annotated Anodyne Cc1ccc(OCc2ccccc2-c2nn(CNc3ccc(Cl)cc3C(=O)C(F)(F)F)c(=S)o2)cc1 ZINC000064436633 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(C)=O ZINC000064436643 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1OC(C)=O ZINC000064436646 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)c3ccc(C(=O)O)cc3C(=O)O)c(C)c(C)c2O1 ZINC000064436899 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064436961 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1cc(Cl)c(N)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064436963 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1N ZINC000064437123 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1N ZINC000064437125 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)COCCn1ccc(N)nc1=O ZINC000064437162 KK Annotated Mild O=C(/C(Br)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cc2ccccc2o1 ZINC000064446681 KK Annotated Mild C(=C1\Sc2nncn2N=C1c1cc2ccccc2o1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000064446683 KK Annotated Anodyne COC(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)CC/C=C(\C)CCC=C(C)C ZINC000064446704 KK Annotated Bother in-vitro O=C(c1cc(Cl)ccc1NCn1nc(-c2ccccc2COc2ccc(Cl)cc2)oc1=S)C(F)(F)F ZINC000064446737 KK Annotated Anodyne C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064447049 KK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064447051 KK Annotated Reactive COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1N ZINC000064447062 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1N ZINC000064447063 KK Annotated Anodyne Cc1ccccc1OCc1ccccc1-c1nn(CNc2ccc(Cl)cc2C(=O)C(F)(F)F)c(=S)o1 ZINC000064447171 KK Annotated Anodyne CCCCn1c2ccccc2c2cc(CNCCN(CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447253 KK Annotated Anodyne CCN(CC)CCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447260 KK Annotated Anodyne COc1cc(-c2nc(CNCCCN(C)C)cc3c4ccccc4n(CCCc4ccccc4)c23)cc(OC)c1OC ZINC000064447261 KK Annotated Anodyne CCN(CC)CCCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447263 KK Annotated Anodyne CCN(CC)CCCCNCc1cc2c3ccccc3n(CCCc3ccccc3)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064447265 KK Annotated Anodyne C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064447388 KK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064447390 KK Annotated Reactive CCN1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447410 KK Annotated Anodyne CCN1CC2=C(N=C3N(c4ccc(C)cc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447411 KK Annotated Anodyne CCCCn1c2ccccc2c2cc(CNCCCCN(CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064447462 KK Annotated Anodyne CCN1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447506 KK Annotated Anodyne CCN1CC2=C(N=C3N(c4ccc(Cl)cc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064447508 KK Annotated Anodyne C(=C1\Sc2ccccc2N=C1c1cc2ccccc2o1)\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000064447574 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CC1CC1)C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000064447617 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CC1CC1)C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000064447625 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(I)cc1OC(C)=O ZINC000064447668 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(I)cc1OC(C)=O ZINC000064447670 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Br)cc1OC(C)=O ZINC000064447776 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Br)cc1OC(C)=O ZINC000064447777 KK Annotated Anodyne Fc1cc(N2C[C@@H]3C[C@H]2CN3C2CCC2)cc(F)c1-c1ccnc2c(-c3cccc4[nH]ncc34)c(-c3ccncc3)nn12 ZINC000064447953 KK Annotated Anodyne CCN(CC)CCCCNCc1cc2c3ccccc3n(C)c2c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000064448074 KK Annotated Anodyne NC(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000064448076 KK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064448149 KK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 ZINC000064448151 KK Annotated Reactive CCN1C/C(=C\c2ccc(C)cc2)c2cc3nc4n(-c5ccccc5)nc(C(=O)OC)n4c(=O)c3c(-c3ccc(C)cc3)c2C1 ZINC000064448347 KK Annotated Anodyne CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448349 KK Annotated Anodyne CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(=O)Nc4ccccc4)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064448350 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)C[C@@H](C)CC(=O)O)c(C)c(C)c2O1 ZINC000064448424 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)C[C@H](C)CC(=O)O)c(C)c(C)c2O1 ZINC000064448426 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)c3ccccc3)c(C)c(C)c2O1 ZINC000064448493 KK Annotated Anodyne CCCCn1c2ccccc2c2cc(CNCCCN(CC)CC)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000064448504 KK Annotated Anodyne O=S(=O)(c1ccc(Cl)cc1)N(CCc1ccccc1)C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000064448540 KK Annotated Anodyne O=C(c1cc2ccccc2o1)[C@@H](Br)[C@@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000064448655 KK Annotated Reactive O=C(c1cc2ccccc2o1)[C@@H](Br)[C@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000064448657 KK Annotated Reactive O=C(c1cc2ccccc2o1)[C@H](Br)[C@@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000064448659 KK Annotated Reactive O=C(c1cc2ccccc2o1)[C@H](Br)[C@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000064448660 KK Annotated Reactive CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(CN(CC)C/C3=C\c3ccc(C)cc3)[C@H](c3ccc(C)cc3)N12 ZINC000064448749 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(C)cc2)C2=NC3=C(CN(CC)C/C3=C\c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)N12 ZINC000064448750 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064448779 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1cc(Cl)c(O)c(Cl)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064448780 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Cl)cc1OC(C)=O ZINC000064448881 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)c(Cl)cc1OC(C)=O ZINC000064448883 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OC(C)=O ZINC000064448919 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OC(C)=O ZINC000064448922 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)c3ccc(C(=O)O)cc3C(=O)O)c(C)c(C)c2O1 ZINC000064448943 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(OC(=O)c3cc(C(=O)O)ccc3C(=O)O)c(C)c(C)c2O1 ZINC000064448945 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)c3cc(C(=O)O)ccc3C(=O)O)c(C)c(C)c2O1 ZINC000064448947 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OC(=O)c3cc(C(=O)O)ccc3C(=O)O)cc(C)c2O1 ZINC000064448949 KK Annotated Anodyne COC(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000064448970 KK Annotated Reactive NC(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000064448971 KK Annotated Reactive Cc1cn2c(nc1=O)S/C(=C\c1cn(-c3ccccc3)nc1-c1cc3ccccc3o1)C(c1cc3ccccc3o1)=N2 ZINC000064448973 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1ccc(N)c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064448988 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1ccc(N)c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064448989 KK Annotated Anodyne C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064448995 KK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064448997 KK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064448999 KK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 ZINC000064449001 KK Annotated Reactive COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OC(C)=O ZINC000064453388 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1OC(C)=O ZINC000064453390 KK Annotated Anodyne COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\S/C(=N/c3nc4ccc(C)cc4s3)NC2=O)cc1 ZINC000064453528 KK Annotated Mild CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453590 KK Annotated Anodyne CCN1CC2=C(N=C3N(c4ccccc4)N=C(C(C)=O)N3[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 ZINC000064453591 KK Annotated Anodyne COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1O ZINC000064453619 KK Annotated Anodyne COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1O ZINC000064453620 KK Annotated Anodyne C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064453632 KK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 ZINC000064453633 KK Annotated Reactive COC(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000064453746 KK Annotated Reactive COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064453905 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)COCCn1cc(Br)c(N)nc1=O ZINC000064453919 KK Annotated Mild C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064453946 KK Annotated Reactive C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064453947 KK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064454324 KK Annotated Reactive C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 ZINC000064454325 KK Annotated Reactive CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1ccc(O)c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064454392 KK Annotated Anodyne CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1ccc(O)c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064454394 KK Annotated Anodyne O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 ZINC000064468824 KK Annotated Anodyne Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)[C@@H](/N=C(\O)[C@H](O)C(F)(F)F)CC(C)(C)O2 ZINC000064474573 KK Annotated Mild Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)[C@H](/N=C(\O)[C@H](O)C(F)(F)F)CC(C)(C)O2 ZINC000064474574 KK Annotated Mild CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)C/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC ZINC000064474581 KK Annotated Mild C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCOCC1 ZINC000064474582 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C ZINC000064474583 KK Annotated Anodyne Cc1ccc(Nc2nc(N/N=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000064474595 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064475211 KK Annotated Mild O=C(/C(=C/c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000064475265 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064475307 KK Annotated Mild C=C(C)[C@@H]1C[C@H](O)[C@](C)(O)[C@H]1/C=C/C(C)=C1\C(=O)C[C@@H]2[C@]1(C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]21C ZINC000064479708 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064479742 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)SCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064479821 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)Sc1ccccc1Br)c1ccc(Br)cc1 ZINC000064479885 KK Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)Sc1ccccc1Br)c1ccc(Br)cc1 ZINC000064479896 KK Annotated Mild O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000064481104 KK Annotated Anodyne O=C(/C(=C\c1ccc(O)c(Br)c1)Sc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064485543 KK Annotated Mild COc1ccc(CC(=O)N2C(=O)SC[C@H]2[C@@]2(OC)C[C@H]3C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O3)O2)cc1 ZINC000064485885 KK Annotated Anodyne O=C(Nc1nc2ccccc2s1)c1c(Nc2ccccc2)n[nH]c1/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000064490482 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc2c1 ZINC000064490608 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COc1cc(O)c2c(=O)c(O)c(-c3ccc(OC)cc3)oc2c1 ZINC000064490696 KK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064490886 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064490898 KK Annotated Mild aggregator O=C1[C@H]2C(=NC(=S)N[C@@H]2c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000064492138 KK Annotated Anodyne O=C1[C@H]2C(=NC(=S)N[C@H]2c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000064492139 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCCCC3)[C@@]3(C)c4[nH]c5cc(-c6ccco6)ccc5c4CCN3C2=O)cc1OC ZINC000064492140 KK Annotated Anodyne O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064499165 KK Annotated Mild COc1cc(OC)c(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000064499187 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccccc1O ZINC000064499207 KK Annotated Mild O=C(/C(=C/c1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1 ZINC000064499223 KK Annotated Mild O=C(/C(=C\c1cc([N+](=O)[O-])ccc1F)S(=O)(=O)Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064499239 KK Annotated Mild O=C(/C(=C\c1csc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064499303 KK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064499385 KK Annotated Mild O=c1c2ccccc2nc(-c2sc(Nc3ccc(Cl)cc3)nc2-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000064499411 KK Annotated Anodyne O=C(/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064499447 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)[S@](=O)Cc2ccc(Br)cc2)cc1 ZINC000064499460 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)[S@@](=O)Cc2ccc(Br)cc2)cc1 ZINC000064499462 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cnc(C4CC4)s2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000644179433 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000064502290 KK Annotated Anodyne O=C1N=C(O)/C(=C(/C=C/c2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)c2ccc(Cl)cc2)C(=O)N1 ZINC000064503338 KK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(Cl)cc2Cl)cc1 ZINC000064503389 KK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064503407 KK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SCc2ccc(Cl)cc2Cl)cc1 ZINC000064503485 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503497 KK Annotated Mild O=C(/C(=C\c1ccc(I)cc1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503498 KK Annotated Mild COc1ccc(C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064503517 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(O)c(Br)c2)SCc2ccc(Br)cc2)cc1 ZINC000064503523 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064503526 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)Sc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064503572 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503602 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)Sc2ccc(Br)cc2)cc1 ZINC000064503605 KK Annotated Mild COc1cc(OC)c(/C=C(/SCc2ccc(Cl)cc2)C(=O)c2ccc(Br)cc2)c(OC)c1 ZINC000064503624 KK Annotated Mild O=C(/C(=C\c1cc(Cl)cc(Cl)c1Cl)Sc1ccccc1Br)c1ccc(Cl)cc1 ZINC000064503625 KK Annotated Mild C1=CC(CSc2nnc(-c3ccc(Nc4ccccc4-c4nnc(SCC5C=CC=C5)o4)cc3)o2)C=C1 ZINC000064503627 KK Annotated Anodyne COc1cc(/C=C(/SCc2ccc(Br)cc2)C(=O)c2ccc(C(=O)O)cc2)ccc1F ZINC000064503652 KK Annotated Mild O=C(/C(=C\c1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503731 KK Annotated Mild O=C(/C(=C\c1ccc(Br)c(O)c1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503778 KK Annotated Mild O=C(/C(=C\c1ccc(OC(F)(F)F)cc1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503786 KK Annotated Mild CSc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000064503790 KK Annotated Mild COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1OCc1cccc(Cl)c1F ZINC000064503829 KK Annotated Clean O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)S(=O)(=O)c1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064503831 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000064503837 KK Annotated Mild O=C(/C(=C\c1cc(Cl)c(O)c(Cl)c1)SCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503855 KK Annotated Mild O=C(/C(=C\c1ccc(O)cc1O)Sc1ccccc1Br)c1ccc(Br)cc1 ZINC000064503859 KK Annotated Mild COc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)c(F)c1 ZINC000064503974 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)SCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064503986 KK Annotated Mild COc1ccc2c(c1O)OC(C)(C)c1c-2ccc2c1C(=O)N(c1ccc3c(c1)-c1ccccc1C3=O)C2=O ZINC000064503987 KK Annotated Anodyne O=C(/C(=C\c1ccc(Cl)cc1Cl)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064503988 KK Annotated Mild O=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1cccc(Cl)c1Cl ZINC000064503991 KK Annotated Anodyne O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064504042 KK Annotated Mild O=C(/C(=C\c1cc(Cl)c(O)c(Cl)c1)S(=O)(=O)Cc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064504060 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064504063 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SCc2ccc(Cl)cc2Cl)cc1 ZINC000064504140 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(C(F)(F)F)cc2)cc1 ZINC000064504154 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SCc2ccccc2Cl)cc1 ZINC000064504163 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1C(F)(F)F)[S@](=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064510222 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1C(F)(F)F)[S@@](=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000064510225 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064510231 KK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064510285 KK Annotated Mild COc1cc(OC)c(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000064510287 KK Annotated Mild O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)Sc1ccc(Br)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC000064510293 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1 ZINC000064510312 KK Annotated Mild CCOc1nc2ccccc2cc1-c1cc(C(C)C)c2cc(-c3cc(C(C)C)c4ccc(OC)nc4c3)c(OC)nc2c1 ZINC000064510441 KK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)S(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000064510677 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000064510679 KK Annotated Mild CC[C@@H](C)c1cc(-c2cc3c(CC(C)C)cc(-c4cc5c(C(C)C)cccc5nc4OC)cc3nc2OC)cc2nc(OC)ccc12 ZINC000064510706 KK Annotated Anodyne CC[C@H](C)c1cc(-c2cc3c(CC(C)C)cc(-c4cc5c(C(C)C)cccc5nc4OC)cc3nc2OC)cc2nc(OC)ccc12 ZINC000064510708 KK Annotated Anodyne ON=C1C2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000064512177 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@H](c1ccccc1Cl)N[C@H]2c1ccccc1Cl ZINC000064512179 KK Annotated Mild CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#CC#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12 ZINC000064512342 KK Annotated Mild C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCNC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064512359 KK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C(F)(F)F)cc1Cc1ccc(F)cc1 ZINC000064512364 KK Annotated Clean ON=C1C2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000064512389 KK Annotated Mild ON=C1C2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@H](c1ccc(F)cc1)N[C@H]2c1ccc(F)cc1 ZINC000064512391 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C(C)C)cc3)N[C@H](c3ccc(C(C)C)cc3)C1[C@H](c1ccc(C(C)C)cc1)N[C@@H]2c1ccc(C(C)C)cc1 ZINC000064512474 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C(C)C)cc3)N[C@H](c3ccc(C(C)C)cc3)C1[C@H](c1ccc(C(C)C)cc1)N[C@H]2c1ccc(C(C)C)cc1 ZINC000064512476 KK Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)C3C(=NO)C2[C@H](c2cccc(OC)c2)N[C@@H]3c2cccc(OC)c2)c1 ZINC000064512598 KK Annotated Mild COc1cccc([C@H]2N[C@@H](c3cccc(OC)c3)C3C(=NO)C2[C@H](c2cccc(OC)c2)N[C@H]3c2cccc(OC)c2)c1 ZINC000064512600 KK Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)C3C(=NO)C2[C@@H](c2cccc(OC)c2)N[C@H]3c2cccc(OC)c2)c1 ZINC000064512602 KK Annotated Mild COc1cccc([C@H]2N[C@H](c3cccc(OC)c3)C3C(=NO)C2[C@H](c2cccc(OC)c2)N[C@H]3c2cccc(OC)c2)c1 ZINC000064512604 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3C(=NOC)C2[C@H](c2ccc(CC)cc2)N[C@@H]3c2ccc(CC)cc2)cc1 ZINC000064512780 KK Annotated Mild CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cc3)C3C(=NOC)C2[C@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000064512782 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)C3C(=NOC)C2[C@@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000064512783 KK Annotated Mild CCc1ccc([C@H]2N[C@H](c3ccc(CC)cc3)C3C(=NOC)C2[C@H](c2ccc(CC)cc2)N[C@H]3c2ccc(CC)cc2)cc1 ZINC000064512785 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3OC)N[C@H](c3ccccc3OC)C1[C@H](c1ccccc1OC)N[C@@H]2c1ccccc1OC ZINC000064512833 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3OC)N[C@H](c3ccccc3OC)C1[C@H](c1ccccc1OC)N[C@H]2c1ccccc1OC ZINC000064512836 KK Annotated Mild CON=C1C2[C@@H](c3cccc(OC)c3)N[C@H](c3cccc(OC)c3)C1[C@H](c1cccc(OC)c1)N[C@@H]2c1cccc(OC)c1 ZINC000064512842 KK Annotated Mild CON=C1C2[C@@H](c3cccc(OC)c3)N[C@H](c3cccc(OC)c3)C1[C@H](c1cccc(OC)c1)N[C@H]2c1cccc(OC)c1 ZINC000064512845 KK Annotated Mild O=C(CSc1nc2ccc(Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)cc2s1)Nc1ccccc1 ZINC000064512999 KK Annotated Anodyne ON=C1C2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)C1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000064513092 KK Annotated Mild ON=C1C2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)C1[C@H](c1cccc(F)c1)N[C@H]2c1cccc(F)c1 ZINC000064513095 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000064513099 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000064513103 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000064513275 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3F)N[C@@H](c3ccccc3F)C1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000064513280 KK Annotated Mild CCCN(c1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)S(=O)(=O)c1ccccc1 ZINC000064513373 KK Annotated Anodyne Cc1nc(-c2ccc(-c3ccc(C(=O)N4CCc5cc6c(cc54)C4(CCN(C)CC4)CO6)c(C)c3)cc2)no1 ZINC000064513546 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000064513692 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 ZINC000064513695 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c(C)c2)cc(C)c1OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1 ZINC000064513697 KK Annotated Anodyne C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](Nc2ncccn2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064513925 KK Annotated Anodyne CCOC(=O)c1cc2cc(C(c3c(C)[nH]c4ccccc34)c3c(C)[nH]c4ccccc34)cc([C@H](C)CC)c2oc1=O ZINC000064513949 KK Annotated Anodyne CCOC(=O)c1cc2cc(C(c3c(C)[nH]c4ccccc34)c3c(C)[nH]c4ccccc34)cc([C@@H](C)CC)c2oc1=O ZINC000064513952 KK Annotated Anodyne CCN(CC)CCOc1nc2cc(NC(=O)N(C)Cc3ccc(F)cc3)ccc2nc1C#Cc1ccc(N(C)C)cc1 ZINC000064514040 KK Annotated Mild CC(C)N(CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@]2(c3cccc(C#N)c3)C[C@@H]2C1)C(C)C ZINC000064516171 KK Annotated Mild CC(C)N(CCN(C(=O)Nc1cccc(Br)c1)[C@H]1CC[C@]2(c3cccc(C#N)c3)C[C@@H]2C1)C(C)C ZINC000064516172 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2F)SCc2ccc(Br)cc2)cc1 ZINC000064516265 KK Annotated Mild O=C(/C(=C\c1cccc(Cl)c1Cl)SCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064516312 KK Annotated Mild O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000064516315 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064516554 KK Annotated Mild COc1ccsc1/C=C(\C(=O)c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000064516576 KK Annotated Mild O=C(/C(=C\c1ccc(Br)c(O)c1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064516600 KK Annotated Mild COc1ccc(S(=O)(=O)/C(=C/c2ccccc2OCc2ccccc2)C(=O)c2ccc(Cl)cc2)cc1 ZINC000064516605 KK Annotated Mild CCOc1ccc(/C=C(/SCc2ccc(F)cc2)C(=O)c2ccc(Br)cc2)cc1OC ZINC000064516619 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1C(F)(F)F)SCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064516622 KK Annotated Mild O=C(/C(=C\c1c(O)cc(O)cc1O)S(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1 ZINC000064516764 KK Annotated Mild O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000064521177 KK Annotated Mild O=C(/C(=C\c1ccc(F)cc1Cl)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064521195 KK Annotated Mild CN(C)c1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000064521206 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)cc2)SCc2ccc(Br)cc2)cc1 ZINC000064521213 KK Annotated Mild CN(C)c1ccc(/C=C(/Sc2ccccc2Br)C(=O)c2ccc(Br)cc2)cc1 ZINC000064521249 KK Annotated Mild CN(C)c1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000064521280 KK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064521296 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064521352 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2F)SCc2ccc(Br)cc2)cc1 ZINC000064521373 KK Annotated Mild CCOc1ccc(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccccc2Cl)cc1OC ZINC000064521426 KK Annotated Mild COc1ccc(/C=C(/Sc2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064521428 KK Annotated Mild O=C(/C(=C\c1ccc(Br)cc1)Sc1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000064521454 KK Annotated Mild CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)CN(CC2CC2)C(=O)Nc2ccc(Cl)cc2)c(F)c1 ZINC000064526322 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064526574 KK Annotated Mild CCCCCCCCCCCCCCCCOCCCO[P@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064526576 KK Annotated Mild CC[C@]1(O)C[C@@H]2C(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@@H]3[C@@H]2C1 ZINC000064526580 KK Annotated Mild CC[C@@]1(O)C[C@@H]2C(=O)N3C[C@H](O[C@H](C)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H](c4ccc(F)cc4)[C@@H]3[C@@H]2C1 ZINC000064526582 KK Annotated Mild CCOC(=O)c1cc2cc(C(c3cn(C)c4ccccc34)c3cn(C)c4ccccc34)cc([C@H](C)CC)c2oc1=O ZINC000064526865 KK Annotated Anodyne CCOC(=O)c1cc2cc(C(c3cn(C)c4ccccc34)c3cn(C)c4ccccc34)cc([C@@H](C)CC)c2oc1=O ZINC000064526866 KK Annotated Anodyne C/C(NNC(=S)N1CCCc2cc(C(=O)O)ccc21)=C1/C(=O)N(c2ccc(C)c(C)c2)c2ccccc21 ZINC000064526905 KK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064526918 KK Annotated Clean CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2ccccc2OC)cn1 ZINC000064526971 KK Annotated Anodyne CC(C)(C)OC(=O)c1ccc2[nH]c3ccc(C#Cc4ccc5[nH]c6ccc(C(=O)OC(C)(C)C)cc6c5c4)cc3c2c1 ZINC000064527007 KK Annotated Mild C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](/N=C2/NCCO2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064527034 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)C1[C@H](c1ccc(C)cc1)N[C@@H]2c1ccc(C)cc1 ZINC000064527088 KK Annotated Mild CON=C1C2[C@@H](c3ccc(C)cc3)N[C@H](c3ccc(C)cc3)C1[C@H](c1ccc(C)cc1)N[C@H]2c1ccc(C)cc1 ZINC000064527089 KK Annotated Mild Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)C2C(=NO)C1[C@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000064527162 KK Annotated Mild Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)C2C(=NO)C1[C@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000064527163 KK Annotated Mild Cc1ccccc1[C@H]1N[C@H](c2ccccc2C)C2C(=NO)C1[C@@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000064527164 KK Annotated Mild Cc1ccccc1[C@H]1N[C@H](c2ccccc2C)C2C(=NO)C1[C@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000064527165 KK Annotated Mild CCOC(=O)c1cc2cc(C(c3c(C)n(C)c4ccccc34)c3c(C)n(C)c4ccccc34)cc([C@H](C)CC)c2oc1=O ZINC000064527300 KK Annotated Anodyne CCOC(=O)c1cc2cc(C(c3c(C)n(C)c4ccccc34)c3c(C)n(C)c4ccccc34)cc([C@@H](C)CC)c2oc1=O ZINC000064527301 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Nc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21 ZINC000064527311 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@H](Nc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21 ZINC000064527312 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Oc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21 ZINC000064527313 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@H](Oc2ccccc2)c2nnc(-c3ccccc3)n2-c2ccccc21 ZINC000064527314 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](c2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 ZINC000064527315 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@H](c2n[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21 ZINC000064527316 KK Annotated Anodyne ON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)N[C@@H]2c1ccc(Cl)cc1 ZINC000064527434 KK Annotated Mild ON=C1C2[C@@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)N[C@H]2c1ccc(Cl)cc1 ZINC000064527435 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3C)N[C@H](c3ccccc3C)C1[C@H](c1ccccc1C)N[C@@H]2c1ccccc1C ZINC000064527438 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3C)N[C@H](c3ccccc3C)C1[C@H](c1ccccc1C)N[C@H]2c1ccccc1C ZINC000064527439 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)C1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000064527449 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)C1[C@H](c1cccc(Cl)c1)N[C@H]2c1cccc(Cl)c1 ZINC000064527450 KK Annotated Mild CCOC(=O)c1cc2cc(C(c3cn(C)c4ccccc34)c3cn(C)c4ccccc34)c3ccccc3c2oc1=O ZINC000064527451 KK Annotated Bother CCOC(=O)c1cc2cc(C(c3c(C)[nH]c4ccccc34)c3c(C)[nH]c4ccccc34)c3ccccc3c2oc1=O ZINC000064527476 KK Annotated Bother CCOC(=O)c1cc2cc(C(c3c(C)n(C)c4ccccc34)c3c(C)n(C)c4ccccc34)c3ccccc3c2oc1=O ZINC000064527477 KK Annotated Bother Cc1occc1-c1nnc(SCC(=O)Nc2cccc(-c3ccc4c(c3)OCO4)c2)n1Cc1ccco1 ZINC000064527481 KK Annotated Anodyne CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccc(OC)cc2O)c(=O)c2ccc(C)nc21 ZINC000064527578 KK Annotated Clean CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccc(OC)cc2O)c(=O)c2ccc(C)nc21 ZINC000064527580 KK Annotated Clean COC(=O)c1cc2cc(C(c3c(C)n(C)c4ccccc34)c3c(C)n(C)c4ccccc34)c3ccccc3c2oc1=O ZINC000064527589 KK Annotated Bother O=C(/C(=C\c1ccc(F)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064527611 KK Annotated Mild O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(F)cc1)c1ccc(SCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000064527622 KK Annotated Mild CCOc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000064527623 KK Annotated Mild CCOc1ccc(/C=C(/SCc2ccc(Cl)c(Cl)c2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000064527626 KK Annotated Mild O=C(O)c1cc(/C=C(\C(=O)c2c(F)c(F)c(F)c(F)c2F)S(=O)(=O)c2ccc(Br)cc2)ccc1O ZINC000064527627 KK Annotated Mild Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccc(OCCOc3ccccc3)cc2n1-c1ccccc1 ZINC000064527641 KK Annotated Anodyne Cc1cc2ncn(CCN(CCn3cnc4cc(C)c(C)cc43)Cc3ccc(Cl)cc3Cl)c2cc1C ZINC000064527661 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCC3CCCCC3)C2=O)C(=O)c2cc(O)c(O)c(CCC3CCCCC3)c2C1=O ZINC000064527664 KK Annotated Mild O=C(/C(=C\c1cc(Cl)cc(Cl)c1Cl)SCc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064527669 KK Annotated Mild CCOC(=O)c1cc2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc([C@H](C)CC)c2oc1=O ZINC000064527706 KK Annotated Anodyne CCOC(=O)c1cc2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc([C@@H](C)CC)c2oc1=O ZINC000064527708 KK Annotated Anodyne CON=C1C2[C@@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000064527710 KK Annotated Mild CON=C1C2[C@@H](c3ccc(F)cc3)N[C@@H](c3ccc(F)cc3)C1[C@H](c1ccc(F)cc1)N[C@@H]2c1ccc(F)cc1 ZINC000064527713 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064527785 KK Annotated Mild COc1cc(OC)c(/C=C(\C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)Cc2ccc(Cl)cc2)c(OC)c1 ZINC000064527791 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064527799 KK Annotated Mild O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1ccccc1COc1cccc2scnc12 ZINC000064527849 KK Annotated Anodyne O=C(/C(=C\c1ccc(F)cc1F)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064527858 KK Annotated Mild O=C(/C(=C\c1cc(Cl)cc(Cl)c1Cl)S(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000064527872 KK Annotated Mild COc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000064527873 KK Annotated Mild CCOC(=O)c1cc2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c3ccccc3c2oc1=O ZINC000064527931 KK Annotated Bother Cc1cc(Cl)c(OCCOc2ccc(C[C@@H](CN)c3ccc(-c4cnc5cnccn45)cc3C)cc2)c(Cl)c1 ZINC000064527980 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc(C[C@H](CN)c3ccc(-c4cnc5cnccn45)cc3C)cc2)c(Cl)c1 ZINC000064527981 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2nc(NCCc3ccccc3)nc3c2CN(Cc2ccccc2)CC3)cc1Cl ZINC000064527992 KK Annotated Anodyne CCOP(=O)(OCC)N1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)C1 ZINC000064528066 KK Annotated Mild C[C@@H](OC[C@@]1(c2ccccc2)CC[C@H](N2CCCC2=O)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064528098 KK Annotated Anodyne COc1ccc(/C=C2\C(=O)N(c3ccc(NS(C)(=O)=O)cc3)N=C2C(F)(F)F)cc1OCc1ccc(F)cc1 ZINC000064528251 KK Annotated Clean CCCCCCCCCCCCCCCCCCOCCO[P@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064528378 KK Annotated Mild O=S(=O)(Nc1nc(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2)c1ccccc1Cl ZINC000064528435 KK Annotated Anodyne ON=C1C2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@H](c1ccccc1F)N[C@@H]2c1ccccc1F ZINC000064528458 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3F)N[C@H](c3ccccc3F)C1[C@H](c1ccccc1F)N[C@H]2c1ccccc1F ZINC000064528459 KK Annotated Mild CCOP(=O)(OCC)N1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000064528460 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Cl)c3)N[C@H](c3cccc(Cl)c3)C1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000064528478 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Cl)c3)N[C@@H](c3cccc(Cl)c3)C1[C@H](c1cccc(Cl)c1)N[C@@H]2c1cccc(Cl)c1 ZINC000064528480 KK Annotated Mild CCOP(=O)(OCC)N1C/C(=C\c2ccc(OC)c(OC)c2)C(=O)/C(=C/c2ccc(OC)c(OC)c2)C1 ZINC000064528502 KK Annotated Mild COc1ccc2c(c1O)OC1(CCCC1)c1c-2ccc2c1C(=O)N(c1ccc(C(=O)c3ccccc3)cc1)C2=O ZINC000064528508 KK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064531769 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000064531846 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(O)cc1O ZINC000064531861 KK Annotated Mild O=C(/C(=C\c1ccc(-c2ccccc2)s1)SCc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000064532004 KK Annotated Mild O=C(/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064532019 KK Annotated Mild COc1cc(OC)c(/C=C(/SCc2ccc(Cl)c(Cl)c2)C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000064532021 KK Annotated Mild CCN(CC)CCNC(=O)c1ccc(C(=O)/C(=C\c2ccc(F)c([N+](=O)[O-])c2)SCc2ccc(Br)cc2)cc1 ZINC000064532084 KK Annotated Mild O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)c1cc(Cl)ccc1O ZINC000064532122 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](C(=O)O)CCC[C@@H]1N(CCCl)CCCl ZINC000064532140 KK Annotated Reactive c1ccc(Nc2nnc(-c3ccc(Nc4ccccc4-c4nnc(Nc5ccccc5)s4)cc3)s2)cc1 ZINC000064532154 KK Annotated Anodyne O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000064532175 KK Annotated Mild CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccccc2[N+](=O)[O-])c(=O)c2ccc(C)nc21 ZINC000064532177 KK Annotated Bother CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccccc2[N+](=O)[O-])c(=O)c2ccc(C)nc21 ZINC000064532180 KK Annotated Bother O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)Sc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1 ZINC000064532206 KK Annotated Mild Sc1nnc(-c2ccc(Nc3ccccc3-c3nnc(S)n3-c3ccccc3)cc2)n1-c1ccccc1 ZINC000064532215 KK Annotated Anodyne C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)c1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000064532286 KK Annotated Anodyne O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000064532314 KK Annotated Mild CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@H]2N(c2ccc(Cl)cc2)C(=S)N1c1cc(C)on1 ZINC000064538986 KK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@@H]2N(c2ccc(Cl)cc2)C(=S)N1c1cc(C)on1 ZINC000064538987 KK Annotated Anodyne CCOP(=O)(OCC)N1C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C1 ZINC000064539042 KK Annotated Mild CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(C#Cc3ccc4[nH]c5cnc(C(=O)OC(C)(C)C)cc5c4c3)cc12 ZINC000064539057 KK Annotated Mild CCOP(=O)(OCC)N1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000064539077 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Cl)N[C@H](c3ccccc3Cl)C1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000064539111 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Cl)N[C@@H](c3ccccc3Cl)C1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl ZINC000064539114 KK Annotated Mild O=C1/C(=C\c2ccc(O)c(OCc3ccc(F)cc3)c2)C(C(F)(F)F)=NN1c1cccc(Br)c1 ZINC000064539115 KK Annotated Clean CON=C1C2[C@@H](c3cccc(F)c3)N[C@H](c3cccc(F)c3)C1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000064539202 KK Annotated Mild CON=C1C2[C@@H](c3cccc(F)c3)N[C@@H](c3cccc(F)c3)C1[C@H](c1cccc(F)c1)N[C@@H]2c1cccc(F)c1 ZINC000064539205 KK Annotated Mild COC(=O)c1cc2cc(C(c3cn(C)c4ccccc34)c3cn(C)c4ccccc34)c3ccccc3c2oc1=O ZINC000064539278 KK Annotated Bother CON=C1C2[C@@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)C1[C@H](c1ccc(OC)cc1)N[C@@H]2c1ccc(OC)cc1 ZINC000064539354 KK Annotated Mild CON=C1C2[C@@H](c3ccc(OC)cc3)N[C@H](c3ccc(OC)cc3)C1[C@H](c1ccc(OC)cc1)N[C@H]2c1ccc(OC)cc1 ZINC000064539355 KK Annotated Mild CCN(CC)CCOc1c2ccc(Cl)cc2nc2c3cc(Cl)ccc3n(CCN(CC)CC)c12 ZINC000064539441 KK Annotated Bother COc1cc(/C=C/C(=O)/C=C/c2ccc(F)cc2)ccc1OCc1cn(-c2ccnc3cc(Cl)ccc23)nn1 ZINC000064539852 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccc(F)cc2F)ccc1OCc1cn(-c2ccnc3cc(Cl)ccc23)nn1 ZINC000064539854 KK Annotated Mild Clc1ccc(/C(=C/SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064540031 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCOC(=O)Nc1ncnc2c1ncn2CCOCP(=O)(O)O ZINC000064540141 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@@H]3C[C@H](N)C[C@@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064540168 KK Annotated Mild CCCCCCCCCCCCCCCCCCOCCO[P@@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064540183 KK Annotated Mild CC(C)(NC(=O)COc1ccc2[nH]c(=O)c(-c3ccncc3)c(CCc3ccccc3)c2c1)c1ccccc1 ZINC000064540222 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)[C@@H]3C[C@@H](N)C[C@@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064540265 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@H]3CNC[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064540305 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@H]3CNC[C@@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064540306 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@@H]3CNC[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064540307 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@@H]3CNC[C@@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064540308 KK Annotated Mild CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)N(/C=C(\CC[C@@]4(C)[C@H](C)CC[C@@]5(C)C(C)=CCC[C@H]45)CC(=O)O)C3=O)[C@H](C)CC[C@@]12C ZINC000064540776 KK Annotated Anodyne CS(=O)(=O)c1ccc(/C(=C\C2CCCCC2)C(=O)Nc2cc(Br)ccn2)cc1C(F)(F)F ZINC000064540792 KK Annotated Anodyne CNc1ncnc2c(CNc3cc(NC(=O)c4ccc(OC)c5ccc(OC)cc45)ccc3C)cccc12 ZINC000064540871 KK Annotated Anodyne CS(=O)(=O)c1ccc(/C(=C\C2CCCCC2)C(=O)Nc2ncc(Br)s2)cc1C(F)(F)F ZINC000064548318 KK Annotated Anodyne COc1cccc(N2C(=S)N(c3cc(C)on3)C(C)=C3C(=O)N(c4cc(C)on4)c4ccccc4[C@H]32)c1 ZINC000064548405 KK Annotated Anodyne COc1cccc(N2C(=S)N(c3cc(C)on3)C(C)=C3C(=O)N(c4cc(C)on4)c4ccccc4[C@@H]32)c1 ZINC000064548406 KK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@H]2N(c2ccccc2Cl)C(=S)N1c1cc(C)on1 ZINC000064548407 KK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@@H]2N(c2ccccc2Cl)C(=S)N1c1cc(C)on1 ZINC000064548408 KK Annotated Anodyne Cc1ccc(/C=N/NC(=O)COc2ccc(N3CC4=C(CC(C)(C)CC4=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 ZINC000064548419 KK Annotated Reactive COc1ccc(N2C(=S)N(c3cc(C)on3)C(C)=C3C(=O)N(c4cc(C)on4)c4ccccc4[C@H]32)cc1 ZINC000064548565 KK Annotated Anodyne COc1ccc(N2C(=S)N(c3cc(C)on3)C(C)=C3C(=O)N(c4cc(C)on4)c4ccccc4[C@@H]32)cc1 ZINC000064548566 KK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@H]2N(c2ccc(Br)cc2)C(=S)N1c1cc(C)on1 ZINC000064548567 KK Annotated Anodyne CC1=C2C(=O)N(c3cc(C)on3)c3ccccc3[C@@H]2N(c2ccc(Br)cc2)C(=S)N1c1cc(C)on1 ZINC000064548568 KK Annotated Anodyne BrCc1cc(Br)c2cc(NBr)c(Br)c(Br)c2c1 ZINC000064548684 KK Annotated Reactive CCN(CC)CCOc1nc2cc(NC(=O)c3ccc(C)cc3)ccc2nc1C#Cc1ccc(OC)cc1C ZINC000064548822 KK Annotated Mild CSc1ccc(-c2n[nH]cc2/C=N/Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000064548879 KK Annotated Mild CCN(CC)CCn1c2ccc(Cl)cc2c2c1c(=O)c1ccc(Cl)cc1n2CCN(CC)CC ZINC000064548919 KK Annotated Bother CS(=O)(=O)c1ccc(/C(=C\C2CCCCCC2)C(=O)Nc2ncc(Br)s2)cc1C(F)(F)F ZINC000064548929 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCO[P@@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064548954 KK Annotated Mild COC1=C[C@@H]2OC(=O)CC(Oc3ccc4cc(-c5ccc(C(F)(F)F)cc5)c(=O)oc4c3CCC(C)C)=C2C=C1 ZINC000064549066 KK Annotated Anodyne COC1=C[C@H]2OC(=O)CC(Oc3ccc4cc(-c5ccc(C(F)(F)F)cc5)c(=O)oc4c3CCC(C)C)=C2C=C1 ZINC000064549067 KK Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000064549082 KK Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000064549083 KK Annotated Anodyne CCOC(=O)C1=C(C)N[C@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000064549084 KK Annotated Anodyne CCOC(=O)C1=C(C)N[C@@H](SC)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000064549085 KK Annotated Anodyne C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@H](N)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064549126 KK Annotated Mild CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](c2ccccc2)C/C=C/Cc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000064549265 KK Annotated Anodyne CC(C)C[C@@H]1NC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](c2ccccc2)CCCCc2[nH]c3ccc(Cl)cc3c2CNC1=O ZINC000064549266 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCO[P@]1(=O)CO[C@@H](Cn2cnc3c(N)nc(N)nc32)CO1 ZINC000064549340 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@@H](N)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000064549377 KK Annotated Mild Cc1ccc(CNCC2(F)CCN(C(=O)C34C[C@@H]5C[C@H](C3)CC(C(F)(F)[C@H](F)C(F)(F)F)(C5)C4)CC2)nc1 ZINC000064549495 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1csc(N/N=C/c2c[nH]nc2-c2ccc(-c3ccccc3)cc2)n1 ZINC000064549663 KK Annotated Mild COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549681 KK Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549682 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549683 KK Annotated Anodyne COc1ccc([C@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccccc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549684 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549685 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549686 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549687 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549688 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549689 KK Annotated Anodyne COc1ccc([C@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549690 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549691 KK Annotated Anodyne COc1ccc([C@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549692 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549726 KK Annotated Bother COc1ccc([C@H]2[C@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549727 KK Annotated Bother COc1ccc([C@@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549728 KK Annotated Bother COc1ccc([C@H]2[C@@H](c3ccccc3)N[C@@]3(C(=O)Nc4ccc([N+](=O)[O-])cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000064549729 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549730 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549731 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549732 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549733 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549734 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549735 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549736 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064549737 KK Annotated Bother CC(C)c1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)C23C(=O)c2ccccc2C3=O)cc1 ZINC000064549817 KK Annotated Clean CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3cccc(Br)c3)cc1)C2 ZINC000064549844 KK Annotated Reactive COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549871 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549872 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549873 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064549874 KK Annotated Anodyne Clc1ccc(/C(=C\Sc2ccccc2)n2cc(Sc3ccccc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064549897 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccccc3)cc1)C2 ZINC000064549901 KK Annotated Reactive COc1ccc(/C(=C\Sc2ccc(Cl)cc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc(OC)cc3)n2)cc1 ZINC000064549925 KK Annotated Anodyne C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCCCc4ccccc4)ccc3/C(=N/OCCCc3ccccc3)C[C@@H]12 ZINC000064549930 KK Annotated Mild O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1Br)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000064549981 KK Annotated Clean Clc1ccc(/C(=C/Sc2ccccc2)n2cc(Sc3ccccc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064549992 KK Annotated Anodyne Cc1ccc(S/C=C(/c2ccc(Cl)cc2)n2cc(Sc3ccc(C)cc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064549993 KK Annotated Anodyne COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc([N+](=O)[O-])ccc1-c1cc(C(C)C)ccc1OC ZINC000064550067 KK Annotated Bother CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3[C@H](O)C2)(c2ccc(C(C)(C)C)cc2)OC1 ZINC000064550068 KK Annotated Anodyne CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3[C@@H](O)C2)(c2ccc(C(C)(C)C)cc2)OC1 ZINC000064550069 KK Annotated Anodyne Clc1ccc(S/C=C(\c2ccccc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 ZINC000064550086 KK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000064550092 KK Annotated Bother O=c1c2ccccc2nc(-c2sc(Nc3ccccc3)nc2-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000064552866 KK Annotated Anodyne Cc1ccc(S(=O)(=O)/C(=C/c2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc1 ZINC000064552933 KK Annotated Mild COc1cc(OC)c(/C=C(/SCc2ccc(Cl)cc2Cl)C(=O)c2ccc(Cl)cc2)c(OC)c1 ZINC000064552935 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)Sc1c(F)c(F)c(F)c(F)c1F)c1ccc(Br)cc1 ZINC000064552992 KK Annotated Mild COc1ccc(/C=C(/Sc2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)c(F)c1 ZINC000064553034 KK Annotated Mild NCc1ccc([C@@H]2O[C@H](c3ccc(CO)cc3)C[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O2)cc1 ZINC000064553164 KK Annotated Anodyne COc1cc(OC)c(/C=C(\C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccc(F)cc2)c(OC)c1 ZINC000064553221 KK Annotated Mild COc1cc(/C=C(/SCc2ccc(Br)cc2)C(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1O ZINC000064553227 KK Annotated Mild O=C(/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)Sc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064553230 KK Annotated Mild O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000064553250 KK Annotated Mild O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SCc2ccc(Cl)cc2)cc1 ZINC000064553286 KK Annotated Mild O=C(/C(=C\c1ccc([N+](=O)[O-])c(O)c1)SCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064553321 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1 ZINC000064553330 KK Annotated Mild O=C(/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064553345 KK Annotated Mild COc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000064553348 KK Annotated Mild O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000064553374 KK Annotated Mild COc1cc(OC)c(/C=C(/C(=O)c2ccc(Cl)cc2)S(=O)(=O)Cc2ccccc2Cl)c(OC)c1 ZINC000064553473 KK Annotated Mild CO[C@]1([C@@H]2CSC(=O)N2Cc2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000064553519 KK Annotated Anodyne O=C(O)c1ccc(C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SCc2ccc(F)cc2)cc1 ZINC000064553572 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl ZINC000064553628 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)Sc1ccccc1Br)c1ccc(Br)cc1 ZINC000064553746 KK Annotated Mild C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OCCc1ccccc1)([C@@H]1CSC(=O)N1)C2 ZINC000064553869 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559021 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559022 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559023 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559024 KK Annotated Anodyne COc1ccc(/C(=C\SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc(OC)cc3)n2)cc1 ZINC000064559028 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc(Br)cc3)cc1)C2 ZINC000064559031 KK Annotated Reactive CN(C)CCNC(=O)c1cccc2c(NCCCCCCNS(=O)(=O)c3ccc4cccnc4c3)c3ccccc3nc12 ZINC000064559068 KK Annotated Clean COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559075 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559076 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559077 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064559078 KK Annotated Anodyne Cc1ccc(/C(=C\Sc2ccc(Cl)cc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc(C)cc3)n2)cc1 ZINC000064559118 KK Annotated Anodyne Cc1ccc(S/C=C(\c2ccc(Cl)cc2)n2cc(Sc3ccc(C)cc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064559119 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559172 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559173 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559174 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccccc12 ZINC000064559175 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(N3CCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064559184 KK Annotated Anodyne Clc1ccc(S/C=C(\c2ccc(Cl)cc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064559276 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@H]3OC(C)(C)OC[C@@]23C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)c1ccccc1C(=O)O ZINC000064559334 KK Annotated Mild O=C(COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)NC1(c2ccccc2)CC1 ZINC000064559363 KK Annotated Anodyne C=CCCC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12)C1CCCCC1 ZINC000064559366 KK Annotated Mild COc1ccc(/C(=C/SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc(OC)cc3)n2)cc1 ZINC000064559488 KK Annotated Anodyne Clc1ccc(S/C=C(/c2ccc(Cl)cc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064559504 KK Annotated Anodyne Cc1ccc(/C(=C/Sc2ccc(Cl)cc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc(C)cc3)n2)cc1 ZINC000064559505 KK Annotated Anodyne Cc1ccc(/C(=C/SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc(C)cc3)n2)cc1 ZINC000064559650 KK Annotated Anodyne CN1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@@]2(C1)[C@H](c1ccc(Cl)cc1)CN(C)[C@]21C(=O)N(C)c2ccccc21 ZINC000064559845 KK Annotated Mild COc1cccc(/C=N/NC(=O)COc2ccc(N3CC4=C(CC(C)(C)CC4=O)N(c4ccc(Cl)cc4)C3)cc2)c1 ZINC000064559848 KK Annotated Reactive COc1ccc(/C=N/NC(=O)COc2ccc(N3CC4=C(CC(C)(C)CC4=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 ZINC000064559850 KK Annotated Reactive CCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000064559881 KK Annotated Mild COC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C#N)ccc1-c1cc(C(C)C)ccc1OC ZINC000064559931 KK Annotated Mild CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3[C@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559933 KK Annotated Anodyne CC1(C)COC(CCCN2CCc3cc(OCc4ccccc4)ccc3[C@@H](O)C2)(c2ccc(F)cc2)OC1 ZINC000064559935 KK Annotated Anodyne Clc1ccc(/C(=C\SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064559966 KK Annotated Anodyne O=[N+]([O-])c1ccc(/C(=C\SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000064559968 KK Annotated Bother Clc1ccc(S/C=C(/c2ccccc2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccccc3)n2)cc1 ZINC000064560093 KK Annotated Anodyne Cc1ccc(/C(=C\SC2CCCCC2)n2cc(SC3CCCCC3)c(-c3ccc(C)cc3)n2)cc1 ZINC000064560158 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccccc3Cl)cc1)C2 ZINC000064560296 KK Annotated Reactive O=C1c2ccccc2C(=O)C12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000064560335 KK Annotated Clean CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc1)C2 ZINC000064560545 KK Annotated Reactive BrCc1cc(Br)c2cc(NBr)c(Br)cc2c1Br ZINC000064560737 KK Annotated Reactive C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](O)([C@@H]1CSC(=O)N1Cc1ccccc1)C2 ZINC000064564421 KK Annotated Anodyne CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2/C=C/c2ccccc2)c(=O)c2ccc(C)nc21 ZINC000064564423 KK Annotated Anodyne CCn1cc(C(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2/C=C/c2ccccc2)c(=O)c2ccc(C)nc21 ZINC000064564424 KK Annotated Anodyne CO[C@]1([C@@H]2CSC(=O)N2C(=O)c2ccccc2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000064564477 KK Annotated Anodyne COc1cccc(OC)c1/C=C(\C(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000064564492 KK Annotated Mild O=C(/C(=C\c1ccc(O)cc1O)S(=O)(=O)c1ccccc1Br)c1ccc(Br)cc1 ZINC000064564498 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C(=O)O)CCC[C@H]1N(CCCl)CCCl ZINC000064564510 KK Annotated Reactive COc1cc(OC)c(/C=C(/C(=O)c2ccc(Cl)cc2)[S@@](=O)Cc2ccccc2Cl)c(OC)c1 ZINC000064564532 KK Annotated Mild COc1cc(OC)c(/C=C(/C(=O)c2ccc(Cl)cc2)[S@](=O)Cc2ccccc2Cl)c(OC)c1 ZINC000064564534 KK Annotated Mild CO[C@]1([C@@H]2CSC(=O)N2C2CCCC2)C[C@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC/C(C)=C\C(=O)O2)O1 ZINC000064564584 KK Annotated Anodyne COc1ccc(C(=O)/C(=C/c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(Br)cc2)cc1 ZINC000064564587 KK Annotated Mild CSc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC000064564595 KK Annotated Mild CCOc1ccc(/C=C(\C(=O)c2ccc(Br)cc2)S(=O)(=O)c2ccc(Br)cc2)c(OCC)c1 ZINC000064564871 KK Annotated Mild COc1c(C2CCN(CCCC/N=C(O)/C=C\c3ccccc3C(F)(F)F)CC2)ccc2c1CCCC2 ZINC000064564973 KK Annotated Mild COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064573028 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064573030 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064573032 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@H](c2ccccc2)N[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000064573034 KK Annotated Bother Clc1nc2ccccc2cc1C(c1c(-c2ccccc2)[nH]c2ccccc12)c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000064573224 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064573227 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)CN(C)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000064573229 KK Annotated Anodyne Brc1cc2c(cc1C(c1c(-c3ccccc3)[nH]c3ccccc13)c1c(-c3ccccc3)[nH]c3ccccc13)OCO2 ZINC000064573252 KK Annotated Anodyne CC[C@H](NC(=O)COc1ccc2[nH]c(=O)c(-c3nccs3)c(CCc3ccccc3)c2c1)c1ccccc1 ZINC000064573296 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064573308 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc1)C2 ZINC000064573317 KK Annotated Reactive BrCc1cc2cc(Br)c(NBr)cc2c(Br)c1Br ZINC000064573335 KK Annotated Reactive CCCCCCCCCCCCCCCCCC[C@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573338 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@H](N)C(=O)N(CC[N+](C)(C)C)OCc1ccccc1 ZINC000064573340 KK Annotated Mild CCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000064573357 KK Annotated Mild FC(F)(F)c1ccc(Nc2nc(N3CCSCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064573412 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(N3CCCC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064573474 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1csc(N/N=C/c2c[nH]nc2-c2ccc(Cl)cc2Cl)n1 ZINC000064573489 KK Annotated Mild C=CCCS(=O)(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12)C1CCCCC1 ZINC000064573527 KK Annotated Mild c1ccc(-c2[nH]c3ccccc3c2C(c2ccc3c(c2)-c2ccccc2C3)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 ZINC000064573533 KK Annotated Anodyne CCn1c2ccccc2c2cc(C(c3c(-c4ccccc4)[nH]c4ccccc34)c3c(-c4ccccc4)[nH]c4ccccc34)ccc21 ZINC000064573582 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000064573603 KK Annotated Mild C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCCCc4ccccc4)ccc3/C(=N/OCCCc3ccccc3)[C@@H](O)[C@@H]12 ZINC000064573606 KK Annotated Mild C[C@]1(C(=O)O)CCC[C@]2(C)c3cc(OCCCc4ccccc4)ccc3/C(=N/OCCCc3ccccc3)[C@H](O)[C@@H]12 ZINC000064573609 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1csc(N/N=C/c2c[nH]nc2-c2cc(Cl)sc2Cl)n1 ZINC000064573703 KK Annotated Mild COc1ccc(S/C=C(/c2ccc(Cl)cc2)n2cc(Sc3ccc(OC)cc3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000064573717 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064576393 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3[C@@H](C)[C@H]2c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000064581767 KK Annotated Anodyne CCCCCCCCCCCC/C=C/[C@H](CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064585641 KK Annotated Mild CCCCCCCCCCCC/C=C/[C@@H](CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064585643 KK Annotated Mild CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@@H]1c1ccccc1OC(C)C ZINC000064585697 KK Annotated Anodyne CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3OCc3ccccc3)c(=O)n2[C@H]1c1ccccc1OC(C)C ZINC000064585699 KK Annotated Anodyne CCCCCCCCCC/C=C/[C@H](CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064585702 KK Annotated Mild CCCCCCCCCC/C=C/[C@@H](CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000064585704 KK Annotated Mild CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1CC(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000064586116 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@H]1CO ZINC000064593706 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@H]1CO ZINC000064593709 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](CO)[C@@H]1CO ZINC000064593711 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593835 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000064593837 KK Annotated Anodyne OC(/C=C\c1ccc(Cl)c(Cl)c1)=N\CCCCCN1CCC[C@H](CCC/N=C(/O)c2ccc3c(c2)OCO3)C1 ZINC000064599965 KK Annotated Mild COc1c(C2CCN(CCCC/N=C(O)\C=C/c3cc4cc(Cl)ccc4o3)CC2)ccc2c1CCCC2 ZINC000064600038 KK Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000064600164 KK Annotated Anodyne OC(/C=C\c1ccc(Cl)c(Cl)c1)=N\CCCCCN1CCC(CCC/N=C(/O)c2ccc3c(c2)OCO3)CC1 ZINC000064622110 KK Annotated Mild 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@@H]1C(C)=CCCC1(C)C ZINC000064622167 KK Annotated Bother in-vitro biogenic C/C=C1C(=C\C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)\NC(=O)[C@@H]\1C ZINC000064622185 KK Annotated Anodyne in-vitro O=C(NCc1cccc(F)c1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000064622510 KK Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000064622515 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3[C@@H](C)[C@H]2c2cn(Cc3ccccc3)c3ncccc23)cc1 ZINC000064623296 KK 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=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000064624062 KK Annotated Bother in-vitro 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=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000064624064 KK Annotated Bother in-vitro 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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000064624065 KK Annotated Bother in-vitro 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=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000064624067 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CO)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CC/C=C(\C)CO ZINC000064624068 KK Annotated Bother in-vitro FC(F)(F)C12C(F)(F)C3(F)C(F)(F)C(F)(C1(F)F)C(F)(F)C(C(F)(F)F)(C3(F)F)C2(F)F ZINC000064624416 KK Annotated Mild in-vitro O=c1c(-c2ccc(Br)cc2)c2c3cccc4cccc(c-2c1-c1ccc(Br)cc1)c43 ZINC000064624571 KK Annotated Bother in-vitro COC(=O)[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl ZINC000064624609 KK Annotated Anodyne in-vitro COC(=O)[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NCc1c(Cl)cccc1Cl ZINC000064624611 KK Annotated Anodyne in-vitro COC(=O)[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)N(C)Cc1c(Cl)cccc1Cl ZINC000064624612 KK Annotated Anodyne in-vitro COC(=O)[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)N(C)Cc1c(Cl)cccc1Cl ZINC000064624614 KK Annotated Anodyne in-vitro CN(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O ZINC000064624616 KK Annotated Anodyne in-vitro CN(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O ZINC000064624617 KK Annotated Anodyne in-vitro COC(=O)[C@H](CC1=C[C@H]2[C@@H](C=C1)N[C@@H](c1c(Cl)cccc1Cl)C[C@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000064624644 KK Annotated Anodyne in-vitro COC(=O)[C@@H](CC1=C[C@H]2[C@@H](C=C1)N[C@@H](c1c(Cl)cccc1Cl)C[C@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000064624646 KK Annotated Anodyne in-vitro COC(=O)[C@H](CC1=C[C@@H]2[C@@H](C=C1)N[C@@H](c1c(Cl)cccc1Cl)C[C@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000064624648 KK Annotated Anodyne in-vitro COC(=O)[C@@H](CC1=C[C@@H]2[C@@H](C=C1)N[C@@H](c1c(Cl)cccc1Cl)C[C@H]2Sc1ccccc1)NC(=O)OC(C)(C)C ZINC000064624650 KK Annotated Anodyne in-vitro O=C(O[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl ZINC000064624655 KK Annotated Anodyne in-vitro O=C(O[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl ZINC000064624657 KK Annotated Anodyne in-vitro CO[C@H](O)[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)OC(=O)c1c(Cl)cccc1Cl ZINC000064624658 KK Annotated Anodyne in-vitro CO[C@@H](O)[C@@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)OC(=O)c1c(Cl)cccc1Cl ZINC000064624660 KK Annotated Anodyne in-vitro CO[C@H](O)[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)OC(=O)c1c(Cl)cccc1Cl ZINC000064624662 KK Annotated Anodyne in-vitro CO[C@@H](O)[C@H](Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)OC(=O)c1c(Cl)cccc1Cl ZINC000064624664 KK Annotated Anodyne in-vitro c1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2 ZINC000064624934 KK Annotated Anodyne in-vitro CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2ccc1[nH]2 ZINC000064624947 KK Annotated Anodyne in-vitro c1cc2cc3ccc4cc5ccc6ccc7cc8ccc9cc%10ccc1c1c2c2c3c4c3c5c6c7c4c8c9c(c%101)c2c34 ZINC000064624950 KK Annotated Bother in-vitro CN1/C(=C/C=C/c2n(-c3ccc(CCl)cc3)c3cc(Cl)c(Cl)cc3[n+]2-c2ccc(CCl)cc2)Oc2ccccc21 ZINC000064625055 KK Annotated Reactive in-vitro Cc1cc(C)c(-n2c(=O)c3ccc4c5ccc6c(=O)n(-c7c(C)cc(C)cc7C)c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)c(C)c1 ZINC000064625058 KK Annotated Bother in-vitro c1cc2cc3cc(-c4cc5cc6ccc(cc7ccc(cc8ccc(cc4[nH]5)n8)[nH]7)n6)c(cc4ccc(cc5ccc(cc1n2)[nH]5)n4)[nH]3 ZINC000064625105 KK Annotated Bother in-vitro c1cc2cc3cc(-c4c5ccc(cc6ccc(cc7ccc(cc8ccc4[nH]8)n7)[nH]6)n5)c(cc4ccc(cc5ccc(cc1n2)[nH]5)n4)[nH]3 ZINC000064625106 KK Annotated Bother in-vitro CC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000064625133 KK Annotated Anodyne in-vitro CCN1/C(=C/C=C/C=C/C=C/C2=[N+](CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2)Cc2cc(S(=O)(=O)O)ccc21 ZINC000064625153 KK Annotated Anodyne in-vitro CC1(C)C(/C=C/C=C/C=C2\N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=Nc2ccc(S(=O)(=O)O)cc21 ZINC000064625154 KK Annotated Anodyne in-vitro C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000064631645 KK Annotated Anodyne CC[C@H](OC)[C@H](C)CCCC[C@@H](O)C[C@@H](O)CCCCCCCCCCCCCCCCCCc1ccc(O)cc1 ZINC000064633695 KK Annotated Anodyne in-vitro FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccc(C(F)(F)F)cc4)C4(c5ccccc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000064645857 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@H]12 ZINC000064645906 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000064645907 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@@H]21 ZINC000064645908 KK Annotated Anodyne C[C@@H](C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000064649420 KK Annotated Reactive COC[C@@H]1[C@@H]2CC[C@H]3[C@@H](OCc4ccc(OC)cc4)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@H]1COC ZINC000064649424 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064649537 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC)[C@@H]1COC ZINC000064654199 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC)[C@H]1COC ZINC000064654201 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064654220 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064672462 KK Annotated Anodyne COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4ccc(CN5CCOCC5)cc4)cc23)cc(OC)c1 ZINC000064691715 KK Annotated Mild COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCCOc4ccccc4Cl)c2C3=O)cc1OC ZINC000064693668 KK Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](CNC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000064696505 KK Annotated Mild O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000064700427 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCc2ccco2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000064705086 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000064728662 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccco2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000064732420 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccco2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000064732424 KK Annotated Anodyne COC(C)(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)CC/C=C(\C)CCC=C(C)C ZINC000064744265 KK Annotated Bother CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc1)C2 ZINC000064746262 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3Cl)cc1)C2 ZINC000064746309 KK Annotated Reactive CC(C)c1nnc(NS(=O)(=O)c2ccc(CCNC(=O)c3sc4cc(F)ccc4c3Cl)cc2)s1 ZINC000064746605 KK Annotated Anodyne O=C1c2ccccc2C(=O)C12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000064750306 KK Annotated Clean C/C(=C1\CCOC(=O)S1)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C1/CCOC(=O)S1 ZINC000006716244 KK Annotated Anodyne COc1c(C(C)(C)C)cc(C(=O)N2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@@H]2C)cc1C(C)(C)C ZINC000006716465 KK Annotated Anodyne COc1c(C(C)(C)C)cc(C(=O)N2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000006716466 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](CCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000006717641 KK Annotated Anodyne Cc1ccc2cc(C(=O)NC3(C(=O)N[C@@H](COCCC4CCN(CC5CCOCC5)CC4)Cc4ccccc4)CCCC3)sc2c1 ZINC000006717645 KK Annotated Anodyne CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)/C=C/c1ccccc1 ZINC000006717690 KK Annotated Anodyne O=C(O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)Nc1nc2ccc(Cl)cc2o1 ZINC000006718421 KK Annotated Anodyne CC(C)CCCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1 ZINC000006733293 KK Annotated Anodyne Cc1c(-c2cccc(OCCCCCC(=O)O)c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000006744490 KK Annotated Anodyne O=C(O)CCCN[C@@H](Cn1c(=O)c(-c2ccccc2Cl)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000006744500 KK Annotated Anodyne CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)N(CCCN(C)C(=O)c2ccc(Oc3ccccc3)cc2)C(=O)N1 ZINC000006745032 KK Annotated Anodyne COc1ccc(CCN2CCC[C@H]2CN(C(=O)Nc2ccccc2)[C@@H](CNC(=O)Nc2ccccc2)CC2CCCCC2)cc1 ZINC000006745521 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653661719 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653661720 KK Annotated Anodyne COc1cc(OCc2csc(N3C[C@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653661721 KK Annotated Anodyne COc1cc(OCc2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653661729 KK Annotated Anodyne COc1cc(OCc2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653661730 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(O)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653662269 KK Annotated Anodyne COc1cc(OCc2csc(C3(c4cccc(Cl)c4)CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653662271 KK Annotated Anodyne COc1cccc(Nc2nc(COc3cc(OC)cc4oc(-c5cn6nc(C)ccc6n5)cc34)cs2)c1 ZINC000653662280 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(OC(C)=O)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653662283 KK Annotated Anodyne COc1cc(OCc2csc(C3CCC(F)(F)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653662284 KK Annotated Anodyne COc1cc(OCc2csc(Nc3ccc(F)c(C)n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653662286 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(C#N)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653662288 KK Annotated Mild COc1cc(OCc2csc(N3CCN(c4cccc(Cl)n4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653662291 KK Annotated Anodyne COc1cc(OCc2csc(N3CCC(F)(F)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653662293 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653662294 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653663045 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653663048 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(F)c(C(F)(F)F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653663051 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653663052 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3-c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653663054 KK Annotated Anodyne CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653663056 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(C(F)(F)F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653663061 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653663073 KK Annotated Anodyne COc1cc(OCc2csc(N3CCN(c4ccc(C)cn4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653663528 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cnc(F)c(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653663538 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C)nc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653663554 KK Annotated Anodyne CCCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1)[C@@H](C)C1CC1 ZINC000653663954 KK Annotated Anodyne CCCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1)[C@H](C)C1CC1 ZINC000653663955 KK Annotated Anodyne CCN(CC1CC1)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653663956 KK Annotated Anodyne O=C(N[C@@H]1CC[C@@H](CN2C(=O)C(F)(F)c3ccc(Cl)cc32)CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000653663976 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NC[C@@H](O)CO)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653664367 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NC[C@H](O)CO)nc3)c2)cc(-c2cc(F)c3occ(C)c3c2)n1 ZINC000653664368 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653664707 KK Annotated Anodyne CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)c(O)cc2O)cc1 ZINC000653664722 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3nc4ccc(Cl)cc4cc3CO)cc2CC[C@@H]1c1cccnc1 ZINC000653664883 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N1c2ccc(-c3nc4ccc(Cl)cc4cc3CO)cc2CC[C@H]1c1cccnc1 ZINC000653664884 KK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664885 KK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653664886 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C(F)(F)F)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653664897 KK Annotated Anodyne COc1cc(OCc2csc(N3CCC4(CC3)CC4)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665226 KK Annotated Anodyne COc1cc(OCc2csc(NCc3cccc(N(C)C)c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665230 KK Annotated Anodyne COc1cc(OCc2csc(N3CCN(c4cccc(Cl)c4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665245 KK Annotated Anodyne COc1cc(OCc2csc(N3CCN(Cc4cccnc4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653665248 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C4CC4)C4CC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653665381 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)NC4CC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653665388 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)CC4CC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653665415 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccnc(Cl)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653665756 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653665767 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(C(F)(F)F)ccc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653665775 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc4c(c3)OCO4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653666147 KK Annotated Anodyne COc1cc(OCc2nc(-c3cccc(CO)c3)sc2C)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653666156 KK Annotated Anodyne COc1cc(OCc2nc(-c3cccc(COC(C)=O)c3)sc2C)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653666170 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(Cl)nc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653666172 KK Annotated Anodyne CCC1CCN(c2nc(COc3cc(OC)cc4oc(-c5cn6nc(C)ccc6n5)cc34)cs2)CC1 ZINC000653666592 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5cccc(OCc6cccc(C)c6)c5)c(Cc5ccccc5)c(OC)cc4o3)nc2s1 ZINC000653666907 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3OC(F)(F)F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653666911 KK Annotated Anodyne CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653666914 KK Annotated Anodyne COc1cc(OCc2cccc(-c3csc4ccccc34)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653666915 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(Oc4ccccc4)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653666916 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(F)cc3C(F)(F)F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653666920 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(Cl)cc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653666923 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653667288 KK Annotated Anodyne CCCOc1ncc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cn1 ZINC000653667295 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C#N)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667302 KK Annotated Mild CCCN(CC)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653667418 KK Annotated Anodyne CCN(C)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653667432 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667436 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)CCC#N)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667437 KK Annotated Mild COc1cc(OCc2csc(-c3ccc(C(=O)NCCN(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667446 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(OC)c(OC)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667720 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(F)c(F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667723 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3c(OC)cccc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667724 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3C(F)(F)F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667732 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(C)c(Cl)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653667734 KK Annotated Anodyne Cc1noc(-c2ccccc2CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)n1 ZINC000653667756 KK Annotated Anodyne COc1cc(OCc2csc(Nc3ccc4scnc4c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653668351 KK Annotated Anodyne COc1cc(OCc2csc(Nc3cc(C)cc(C)n3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653668771 KK Annotated Anodyne COc1cc(OCc2csc(N3CCN(c4ccccn4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653668780 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653668861 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN(C)C)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668880 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCC(F)(F)C3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668881 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCOCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653668889 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCN(C)CC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668899 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(I)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653668913 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC(=O)CO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653668915 KK Annotated Anodyne Cc1ccc(OCc2noc(COc3cccc([C@H](C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)n2)cc1 ZINC000653668917 KK Annotated Anodyne Cc1ccc(OCc2noc(COc3cccc([C@@H](C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)n2)cc1 ZINC000653668918 KK Annotated Anodyne CN(Cc1ccnc2ccccc12)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653668919 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000653668921 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653668928 KK Annotated Anodyne COc1cc(COc2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cc(OC)c1 ZINC000653668929 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(C(C)(C)C)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653668931 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(F)c(F)c(F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653668937 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(COC(C)=O)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669355 KK Annotated Anodyne COc1cc(OCc2nc(C3(O)CCOCC3)sc2C)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000653669356 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669371 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccnc(F)c3)sc2C)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669372 KK Annotated Anodyne COc1cc(OCc2csc(Nc3cc(F)ccc3F)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669539 KK Annotated Anodyne COc1cc(OCc2csc(Nc3cc(C)ccc3F)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653669551 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3c(Cl)cccc3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670137 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3c(F)cccc3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670145 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(F)cc3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670165 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(Br)ccc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670168 KK Annotated Anodyne COc1cccc2c1N(C[C@@H]1CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C ZINC000653670282 KK Annotated Anodyne COc1cc(OCc2csc(C3CCC4(CC3)OCCO4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670300 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670648 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CCCCCC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670649 KK Annotated Anodyne COc1cncc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)c1 ZINC000653670652 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)NCC(F)(F)F)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670657 KK Annotated Anodyne COc1cc(OCc2csc(C(O)(C3CC3)C3CC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670658 KK Annotated Anodyne COc1cc(OCc2csc([C@](O)(C3CCCCC3)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670660 KK Annotated Anodyne COc1cc(OCc2csc([C@@](O)(C3CCCCC3)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670661 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(Cl)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670662 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)NC(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670665 KK Annotated Anodyne COc1cc(OCc2csc([C@](O)(c3ccc(Cl)cc3)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670667 KK Annotated Anodyne COc1cc(OCc2csc([C@@](O)(c3ccc(Cl)cc3)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670668 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC(C)CC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653670669 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653671232 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CC(F)(F)C2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653671251 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653671252 KK Annotated Anodyne COc1cc(COc2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cc(OCc2ccccc2)c1 ZINC000653671259 KK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653671260 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653671261 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653671262 KK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653671263 KK Annotated Anodyne CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c(O)cc4O)cc3)cc2)CC1 ZINC000653671279 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(OC(C)C)cc(OC(C)C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653671287 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(Oc4ccccc4)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653671291 KK Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(CO)C4)nc(N3[C@H]4CC[C@H]3CC(OC)C4)c12 ZINC000653671427 KK Annotated Anodyne COCC1C[C@@H]2CC[C@H](C1)N2c1nc(N2[C@H]3CC[C@H]2CC(O)C3)nc2scc(-c3ccccc3OC)c12 ZINC000653671429 KK Annotated Anodyne COCC[C@@](C)(F)c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000653671926 KK Annotated Anodyne COCC[C@](C)(F)c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000653671927 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc(C#N)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653671934 KK Annotated Mild COc1cc(OCc2csc(Nc3ccc4[nH]ccc4c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653672736 KK Annotated Anodyne CCNC(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653672739 KK Annotated Anodyne COc1cc(OCc2csc(Nc3cccc(C#N)c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653672747 KK Annotated Mild Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653672849 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)cc1 ZINC000653672867 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCCCC3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653672868 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1 ZINC000653672869 KK Annotated Anodyne CN1CCN(S(=O)(=O)c2ccc(-c3ccc(N(Cc4ccsc4)C(=O)c4cc(Cl)c(O)cc4O)cc3)cc2)CC1 ZINC000653672887 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(NC(=O)c4ccccc4)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653673689 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653673691 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(F)cc(OCc4ccccc4)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653673698 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)c3ccco3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653673699 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(C(F)(F)F)ccc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653673707 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(F)C[C@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000653674039 KK Annotated Anodyne COc1cc(OCc2csc(C3(O)C[C@@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000653674060 KK Annotated Anodyne COc1cc(OCc2csc(C3(O)C[C@H](C)O[C@@H](C)C3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000653674065 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(O)C[C@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000653674067 KK Annotated Anodyne COc1cc(OCc2nc(-c3cccnc3F)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653675505 KK Annotated Anodyne COc1cc(OCc2nc(-c3cccc(COC(C)=O)c3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653675512 KK Annotated Anodyne COc1cc(OCc2nc(-c3cccc(CO)c3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653675513 KK Annotated Anodyne COc1cc(OCc2csc(N3CCN(c4ccccc4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653675525 KK Annotated Anodyne CCN(CC)Cc1cccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)c1 ZINC000653676024 KK Annotated Anodyne CCN1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)cn2)CC1 ZINC000653676801 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccnc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653676806 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653676812 KK Annotated Anodyne CCNCc1cccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)c1 ZINC000653676825 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCCN(C)C)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653676834 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000653676840 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cncc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653676848 KK Annotated Anodyne CCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1)C1CC1 ZINC000653677641 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C)cc3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653677645 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N(C)C(C)(C)C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653677646 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(C)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653678240 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccnc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653678247 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653678285 KK Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(O)C4)nc(N3[C@H]4CC[C@H]3CC(OC)C4)c12 ZINC000653678344 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6scc(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000653678354 KK Annotated Anodyne COC1C[C@@H]2CC[C@H](C1)N2c1nc(N2[C@H]3CC[C@H]2CC(O)C3)nc2scc(-c3ccccc3Cl)c12 ZINC000653678370 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ccc4nccn4c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653678788 KK Annotated Anodyne COc1cc(OCc2csc(N3CCC(N(C)C)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679170 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000653679374 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(CCN(C)C)CC4)nc3)c2)cc(-c2ccc3scc(C)c3c2)n1 ZINC000653679773 KK Annotated Anodyne CN(Cc1cccc2cccnc12)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653679823 KK Annotated Anodyne CCC(O)(CC)c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000653679901 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4[C@@H](C)CC[C@H]4C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679903 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4[C@H](C)CC[C@H]4C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679904 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4[C@@H](C)CC[C@@H]4C)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679905 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(O)C[C@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679906 KK Annotated Anodyne COc1cc(OCc2nc(N3CCOCC3)sc2C(F)(F)F)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679907 KK Annotated Anodyne COc1cc(OCc2csc([C@](C)(O)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679909 KK Annotated Anodyne COc1cc(OCc2csc([C@@](C)(O)C(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679910 KK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1cc(Cl)c(O)cc1O ZINC000653679911 KK Annotated Anodyne COc1cc(OCc2csc([C@](C)(O)C3CCCCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679912 KK Annotated Anodyne COc1cc(OCc2csc([C@@](C)(O)C3CCCCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653679913 KK Annotated Anodyne CC[C@](F)(c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1)C(F)(F)F ZINC000653679915 KK Annotated Anodyne CC[C@@](F)(c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1)C(F)(F)F ZINC000653679916 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc4c(c3)OCO4)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653679919 KK Annotated Anodyne CCC(F)(CC)c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1 ZINC000653679925 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(C(=O)N(C)C)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653680383 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C#N)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653680385 KK Annotated Mild COc1cc(OCc2csc(-c3ccc(CO)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653680392 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(COC(C)=O)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653680407 KK Annotated Anodyne CCN(CCC#N)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653680408 KK Annotated Mild COc1cc(OCc2cccc(OCc3cccc4ccccc34)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681022 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(F)cc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681041 KK Annotated Anodyne COC(=O)c1coc(COc2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n1 ZINC000653681059 KK Annotated Anodyne COC(=O)c1coc(COc2cccc([C@@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)n1 ZINC000653681060 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(F)C[C@H](C)O[C@H](C)C3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681690 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCOCC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653681697 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccnc(F)c3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681801 KK Annotated Anodyne COc1cc(OCc2csc(-c3cccc(OC(C)=O)c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653681807 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccnc(F)c3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681808 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccc(C(N)=O)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681813 KK Annotated Anodyne COc1cc(OCc2nc(-c3ccc(C(=O)N(C)C)cc3)sc2C)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653681814 KK Annotated Anodyne COc1cc(OCc2csc(Nc3cccc(N(C)C)c3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653682128 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)NC4COC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682143 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CC(OC)C4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682146 KK Annotated Anodyne C=CCN(C)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653682157 KK Annotated Mild COc1cc(OCc2cccc(OCc3cc(F)cc(F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682379 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1 ZINC000653682381 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682383 KK Annotated Anodyne COc1ccc2c(c1)C(C)(C)C(=O)N2C[C@@H]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000653682384 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCN3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682393 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccn2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682394 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000653682397 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(C(C)C)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682398 KK Annotated Anodyne CN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccc(CNc6ccccc6)cc5)cn34)c2)CC1 ZINC000653682400 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCN(C)C)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682401 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCCCN3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682404 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3c(C)cc(C)cc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682405 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(C)cc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653682407 KK Annotated Anodyne CN(Cc1cccc2cnccc12)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653682828 KK Annotated Anodyne COc1cc(OCc2cccc(-c3ncccc3C#N)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653683844 KK Annotated Mild COc1cc(OCc2cccc(-c3ncccc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653683845 KK Annotated Anodyne COc1cc(OCc2cccc(-c3cccnc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653683849 KK Annotated Anodyne COc1cc(OCc2csc([C@@]3(c4ccc(Cl)cc4)CCOC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653684265 KK Annotated Anodyne COc1cc(OCc2csc([C@]3(c4ccc(Cl)cc4)CCOC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653684267 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccnc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653684753 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653684760 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCC(F)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653684986 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2ccc(S(=O)(=O)NCc3ccccn3)cc2)cc1 ZINC000653685002 KK Annotated Anodyne CCN(CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 ZINC000653685007 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3I)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653685036 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCC(CO)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653685080 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653685089 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc2c(c1)CC[C@@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653685365 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc2c(c1)CC[C@H](c1cccnc1)N2C(=O)c1ccc(O)cc1O ZINC000653685366 KK Annotated Anodyne CCN(C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1)C(C)C ZINC000653685697 KK Annotated Anodyne COc1cc(OCc2csc(C3CCSCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653685699 KK Annotated Anodyne COc1cc(OCc2csc(CCC(F)(F)F)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653685711 KK Annotated Anodyne CCN(CC#N)C(=O)c1ccc(-c2nc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)cs2)cc1 ZINC000653685712 KK Annotated Mild COc1cc(OCc2csc(C3(c4ccc(C)cc4)CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1 ZINC000653685716 KK Annotated Anodyne COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653685718 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653686448 KK Annotated Anodyne CCN(CC)CCOc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1 ZINC000653686455 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCc4ccoc4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653686457 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(C)c(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653686471 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(OC)c(OC)c(OC)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653686476 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H](C(=O)C(C)C)[C@]1(C)C/C=C/C(C)(C)OO)C2=O ZINC000653686885 KK Annotated Reactive CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H](C(=O)C(C)C)[C@]1(C)C/C=C/C(C)(C)O)C2=O ZINC000653686895 KK Annotated Anodyne CC[C@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)C/C=C/C(C)(C)O)C2=O ZINC000653686918 KK Annotated Anodyne CC[C@@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)C/C=C/C(C)(C)O)C2=O ZINC000653686919 KK Annotated Anodyne CC(C)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653687049 KK Annotated Anodyne CC(C)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653687050 KK Annotated Anodyne C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)[C@@H]4CC=C(CCC=C(C)C)C[C@@]4(C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000653687055 KK Annotated Mild CCCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653687128 KK Annotated Anodyne CCCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653687129 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc4cc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4o3)cc2)[nH]1)C(C)C ZINC000653687413 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@H](C)OC)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653687420 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653687421 KK Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@@H](C(=O)NC(C)(C)C)c2ccc(Br)cc2)cc1 ZINC000653687465 KK Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@H](C(=O)NC(C)(C)C)c2ccc(Br)cc2)cc1 ZINC000653687466 KK Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(Cl)cc2)cc1 ZINC000653687496 KK Annotated Anodyne COc1ccc(CNC(=O)CN(C(=O)c2cc3ccccc3[nH]2)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(Cl)cc2)cc1 ZINC000653687497 KK Annotated Anodyne O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]12 ZINC000653687529 KK Annotated Bother O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cccc(S(F)(F)(F)(F)F)c3)[C@@H]12 ZINC000653687576 KK Annotated Reactive O[C@](CNc1ccc(F)cc1)(c1ccc(Br)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653688498 KK Annotated Anodyne O[C@@](CNc1ccc(F)cc1)(c1ccc(Br)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653688499 KK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(Cc4ccccc4)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653688508 KK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(CC4CCCCC4)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653688539 KK Annotated Anodyne O[C@](CNc1ccc(Br)cc1)(c1ccc(Br)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653688541 KK Annotated Anodyne O[C@@](CNc1ccc(Br)cc1)(c1ccc(Br)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653688542 KK Annotated Anodyne O=C(NCCCCCCSSCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1)c1cc(-c2ccncc2)[nH]n1 ZINC000653688545 KK Annotated Reactive CC1=CC(=O)O[C@@]12C[C@H]1C[C@H](O)[C@@]3(C)Oc4cc(O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@]1(C)O/C2=C\C(=O)O ZINC000653688547 KK Annotated Anodyne CC[C@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)C/C=C/C(C)(C)OO)C2=O ZINC000653688564 KK Annotated Reactive CC[C@@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)C/C=C/C(C)(C)OO)C2=O ZINC000653688565 KK Annotated Reactive O[C@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccc(Br)cc2)c1-c1ccc(Cl)cc1 ZINC000653688578 KK Annotated Anodyne O[C@@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccc(Br)cc2)c1-c1ccc(Cl)cc1 ZINC000653688579 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 ZINC000653689008 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 ZINC000653689009 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 ZINC000653689010 KK Annotated Anodyne CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653689016 KK Annotated Reactive CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653689017 KK Annotated Reactive O[C@](CNc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653689021 KK Annotated Anodyne O[C@@](CNc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653689022 KK Annotated Anodyne C=CCCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)OC(=O)CCCCCCCCC=C ZINC000653689026 KK Annotated Mild CCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653689041 KK Annotated Anodyne CCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653689042 KK Annotated Anodyne CCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653689043 KK Annotated Anodyne CCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653689044 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)C)cc21 ZINC000653689053 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)C)cc21 ZINC000653689054 KK Annotated Anodyne O=C(Nn1c(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1)c1ccccc1 ZINC000653689087 KK Annotated Anodyne O=C(Nn1c(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1)c1ccccc1 ZINC000653689092 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 ZINC000653689427 KK Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 ZINC000653689455 KK Annotated Mild O=C1c2ccccc2C(=O)N1C/C=N/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1 ZINC000653689459 KK Annotated Mild CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000653689978 KK Annotated Anodyne O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3ccc(S(F)(F)(F)(F)F)cc3)[C@@H]12 ZINC000653690000 KK Annotated Reactive O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(C4CCCCC4)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653690483 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC3CC3)cc21 ZINC000653691048 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC3CC3)cc21 ZINC000653691049 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC3CC3)cc21 ZINC000653691050 KK Annotated Anodyne CC(C)c1ccc(-c2c([C@@](O)(CNc3ccc(Br)cc3)c3ccc(Cl)cc3)nnn2Cc2ccccc2)cc1 ZINC000653691054 KK Annotated Anodyne CC(C)c1ccc(-c2c([C@](O)(CNc3ccc(Br)cc3)c3ccc(Cl)cc3)nnn2Cc2ccccc2)cc1 ZINC000653691055 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000653691058 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1Br ZINC000653691059 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CCCC3)cc21 ZINC000653691061 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CCCC3)cc21 ZINC000653691062 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CCCC3)cc21 ZINC000653691063 KK Annotated Anodyne O[C@](CNc1ccc(F)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1 ZINC000653691067 KK Annotated Anodyne O[C@@](CNc1ccc(F)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1 ZINC000653691068 KK Annotated Anodyne Cc1ccc(NC[C@](O)(c2ccc(Br)cc2)c2nnn(Cc3ccccc3)c2-c2ccccc2)cc1C ZINC000653691092 KK Annotated Anodyne Cc1ccc(NC[C@@](O)(c2ccc(Br)cc2)c2nnn(Cc3ccccc3)c2-c2ccccc2)cc1C ZINC000653691093 KK Annotated Anodyne Cc1ccc(NC[C@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccc(F)cc2)cc1C ZINC000653691095 KK Annotated Anodyne Cc1ccc(NC[C@@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccc(F)cc2)cc1C ZINC000653691096 KK Annotated Anodyne O[C@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653691104 KK Annotated Anodyne O[C@@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653691105 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C)cc21 ZINC000653691108 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C)cc21 ZINC000653691109 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C)cc21 ZINC000653691110 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC(C)(C)C)cc21 ZINC000653691111 KK Annotated Anodyne CC(C)c1ccc(-c2c([C@@](O)(CNc3ccc(F)cc3)c3ccc(Cl)cc3)nnn2Cc2ccccc2)cc1 ZINC000653691118 KK Annotated Anodyne CC(C)c1ccc(-c2c([C@](O)(CNc3ccc(F)cc3)c3ccc(Cl)cc3)nnn2Cc2ccccc2)cc1 ZINC000653691119 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC3CCC3)cc21 ZINC000653691120 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC3CCC3)cc21 ZINC000653691121 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)CC3CCC3)cc21 ZINC000653691122 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[Si](C)(C)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000653691216 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CCCC6)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653691222 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)c(-c5cccs5)c4)ccc3c2[nH]1)C(C)C ZINC000653691282 KK Annotated Anodyne CC(C)(O)CCC[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](OC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C(C)(C)[C@@H]3CC[C@]12C ZINC000653692008 KK Annotated Anodyne CC(C)(O)CCC[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](OC(=O)[C@H](Cc4cnc[nH]4)NC(=O)OC(C)(C)C)C(C)(C)[C@@H]3CC[C@]12C ZINC000653692011 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692014 KK Annotated Anodyne C[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692015 KK Annotated Anodyne C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692024 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692035 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692042 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)OCCOc5no[n+]([O-])c5S(=O)(=O)c5ccccc5)CC[C@@]43C)[C@@H]1Cc1cnn(-c3ccccc3)c12 ZINC000653692071 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692072 KK Annotated Anodyne CC(C)(O)CCC[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](OC(=O)[C@@H](N)Cc4cnc[nH]4)C(C)(C)[C@@H]3CC[C@]12C ZINC000653692079 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692080 KK Annotated Anodyne CC(C)C[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653692083 KK Annotated Anodyne Cc1cc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)ccc1NS(=O)(=O)C(C)(C)C ZINC000653692086 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cc1 ZINC000653692092 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cc1Cl ZINC000653692113 KK Annotated Anodyne Cc1cc(NS(=O)(=O)C(C)(C)C)ccc1-c1c(C(N)=O)c2cc(F)c(OC(F)F)cc2n1C1CCCC1 ZINC000653692146 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cc1F ZINC000653692163 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 ZINC000653692831 KK Annotated Reactive O[C@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1 ZINC000653692840 KK Annotated Anodyne O[C@@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1 ZINC000653692841 KK Annotated Anodyne CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc([N+](=O)[O-])cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653693412 KK Annotated Mild O[C@](CNc1ccc(I)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653693439 KK Annotated Anodyne O[C@@](CNc1ccc(I)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653693440 KK Annotated Anodyne CCOC(=O)c1sc(NCc2cn(Cc3ccc(C#N)cc3)cn2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653693442 KK Annotated Mild CCOC(=O)c1sc(N(Cc2cncn2Cc2ccc(C#N)cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653693476 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CC6)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653693881 KK Annotated Anodyne COc1ccc(-c2nc(CN3CCN(Cc4cc5c6ccccc6n(CCCc6ccccc6)c5c(-c5ccc(OC)c(OC)c5)n4)CC3)cc3c4ccccc4n(CCCc4ccccc4)c23)cc1OC ZINC000653693884 KK Annotated Anodyne C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000653693889 KK Annotated Anodyne CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000653693891 KK Annotated Anodyne CC(C)(O)CCC[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](OC(=O)[C@H](CO)NC(=O)OC(C)(C)C)C(C)(C)[C@@H]3CC[C@]12C ZINC000653693897 KK Annotated Anodyne C[C@H](N)C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000653693902 KK Annotated Anodyne CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000653693915 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653693927 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000653693929 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000653693933 KK Annotated Anodyne CC(C)(O)CCC[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](OC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)OC(C)(C)C)C(C)(C)[C@@H]3CC[C@]12C ZINC000653693939 KK Annotated Anodyne CC(C)(O)CCC[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](OC(=O)[C@@H](N)CCC(=O)O)C(C)(C)[C@@H]3CC[C@]12C ZINC000653693944 KK Annotated Anodyne CCCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnc4n[nH]c(C5CC5)c4c3cc2OC)c1Cl ZINC000653694170 KK Annotated Anodyne Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2-c1ccc(Cl)cc1 ZINC000653694174 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)c(Cl)c1 ZINC000653694222 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2cc(Br)ccc2CC[C@@H]1CN(C)C ZINC000653694234 KK Annotated Anodyne CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653695766 KK Annotated Anodyne CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653695767 KK Annotated Anodyne CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653695768 KK Annotated Anodyne CCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653695769 KK Annotated Anodyne CC[C@@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](C/C=C(\C)CCC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000653695788 KK Annotated Anodyne CC[C@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](C/C=C(\C)CCC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O ZINC000653695789 KK Annotated Anodyne CC(=O)Oc1cc2c(cc1C(C)C)/C(=N\S(=O)(=O)c1ccc(C)cc1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000653695830 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@H](C(=O)C(C)C)C(=O)[C@](CC=C(C)C)(OC1=O)C2=O ZINC000653695843 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 ZINC000653695845 KK Annotated Reactive COc1cc(/C=C/C(=O)C(C/C=C(\C)CCC=C(C)C)C(=O)/C=C/c2ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c2)ccc1OC/C=C(\C)CCC=C(C)C ZINC000653695860 KK Annotated Mild O[C@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653696805 KK Annotated Anodyne O[C@@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccccc1 ZINC000653696806 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@H](C)OC)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653696812 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)OC)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653696813 KK Annotated Anodyne O[C@](CNc1ccc(F)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653696819 KK Annotated Anodyne O[C@@](CNc1ccc(F)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653696820 KK Annotated Anodyne Cc1ccc([C@](O)(CNc2ccc(C)c(C)c2)c2nnn(Cc3ccccc3)c2-c2ccc(Cl)cc2)cc1 ZINC000653696825 KK Annotated Anodyne Cc1ccc([C@@](O)(CNc2ccc(C)c(C)c2)c2nnn(Cc3ccccc3)c2-c2ccc(Cl)cc2)cc1 ZINC000653696826 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)ccc3c2[nH]1 ZINC000653696832 KK Annotated Anodyne CC[C@@H](C)[C@H](NC(=O)OC)C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)ccc3c2[nH]1 ZINC000653696833 KK Annotated Anodyne CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696839 KK Annotated Anodyne CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696840 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C6CC6)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653696853 KK Annotated Anodyne CCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696857 KK Annotated Anodyne CCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653696858 KK Annotated Anodyne O[C@](CNc1ccccc1Br)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653696859 KK Annotated Anodyne O[C@@](CNc1ccccc1Br)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 ZINC000653696860 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653696861 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)[C@H](C)O)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653696862 KK Annotated Anodyne O[C@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653696873 KK Annotated Anodyne O[C@@](CNc1ccc(Br)cc1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653696874 KK Annotated Anodyne O[C@](CNc1ccccc1Br)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1 ZINC000653696882 KK Annotated Anodyne O[C@@](CNc1ccccc1Br)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Br)cc1 ZINC000653696883 KK Annotated Anodyne Cc1ccc(NC[C@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccccc2)cc1C ZINC000653696900 KK Annotated Anodyne Cc1ccc(NC[C@@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccccc2)cc1C ZINC000653696901 KK Annotated Anodyne CCOC(=O)c1sc(N(Cc2cn(Cc3ccc(C#N)cc3)cn2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653696903 KK Annotated Mild CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C[C@@H]([C@H]3CCOC3)N=C12 ZINC000653697676 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C[C@H]([C@@H]3CCOC3)N=C12 ZINC000653697677 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C[C@H]([C@H]3CCOC3)N=C12 ZINC000653697678 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4ccccc4)cc3)c2Nc2ccccc2)N2C[C@@H]([C@@H]3CCOC3)N=C12 ZINC000653697679 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2OC[C@@H]1CN(C)C ZINC000653697786 KK Annotated Anodyne O=c1cc(-c2ccccc2OCc2ccc(-c3cnn(C4CCCC4)c3)cc2)ccn1[C@H]1CCCC[C@@H]1O ZINC000653697831 KK Annotated Anodyne C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)[C@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653697841 KK Annotated Mild C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)[C@@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653697842 KK Annotated Mild C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)[C@](O)(CCN(C)C)c1cccc(Br)c1 ZINC000653697850 KK Annotated Mild C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)[C@@](O)(CCN(C)C)c1cccc(Br)c1 ZINC000653697851 KK Annotated Mild COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2C[C@@H]1CN(C)C ZINC000653697862 KK Annotated Anodyne CCOC(=O)CC(=O)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698595 KK Annotated Anodyne CCOC(=O)CC(=O)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698596 KK Annotated Anodyne C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698627 KK Annotated Anodyne C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698628 KK Annotated Anodyne CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698629 KK Annotated Anodyne CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698630 KK Annotated Anodyne Brc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(Br)cc2)cc1 ZINC000653698632 KK Annotated Anodyne CCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653698641 KK Annotated Reactive CCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653698642 KK Annotated Reactive C=CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653698646 KK Annotated Mild C=CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653698647 KK Annotated Mild C=CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698653 KK Annotated Mild C=CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698654 KK Annotated Mild CCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698655 KK Annotated Anodyne CCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653698656 KK Annotated Anodyne CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653698670 KK Annotated Reactive CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653698671 KK Annotated Reactive CCOC(=O)c1ccc(NC(=O)CCN(c2ccc(Cl)c(-c3ccccc3)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000653699186 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2cc(Cl)cc(-c3ccccc3)c2)cc1 ZINC000653699188 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000653699258 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CCN(c2cc(Cl)cc(-c3ccccc3)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000653699270 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2OC[C@@H]1CN(C)C ZINC000653699584 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1ccc2ccccc2c1 ZINC000653699597 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1ccc2ccccc2c1 ZINC000653699598 KK Annotated Anodyne C=CCCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCCC=C)[C@@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653699600 KK Annotated Mild C=CCCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCCC=C)[C@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653699601 KK Annotated Mild COc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(OC)c(OC)c2)[C@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000653699603 KK Annotated Bother COc1ccc([N+](=O)[O-])c(C(=O)N(CCc2ccc(OC)c(OC)c2)[C@@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000653699604 KK Annotated Bother COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653699617 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1ccc(Br)cc1 ZINC000653699618 KK Annotated Anodyne Cc1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCC#N ZINC000653699621 KK Annotated Mild COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2cc(Br)ccc2CC[C@@H]1CN(C)C ZINC000653699631 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2CC[C@@H]1CN(C)C ZINC000653699649 KK Annotated Anodyne CCCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653699898 KK Annotated Anodyne CCCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653699899 KK Annotated Anodyne CC(=O)Nn1c(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)nnc1SCC(C)C ZINC000653699913 KK Annotated Anodyne CC(=O)Nn1c(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)nnc1SCC(C)C ZINC000653699914 KK Annotated Anodyne O=C(Nn1c(S)nnc1COc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000653699927 KK Annotated Anodyne O=C(Nn1c(S)nnc1COc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2Cl)C1)c1ccccc1 ZINC000653699928 KK Annotated Anodyne C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653699944 KK Annotated Anodyne C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(C)=O ZINC000653699945 KK Annotated Anodyne CCCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700280 KK Annotated Reactive CCCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700281 KK Annotated Reactive C=CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700282 KK Annotated Reactive C=CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700283 KK Annotated Reactive C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700291 KK Annotated Reactive C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700292 KK Annotated Reactive CC(C)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700293 KK Annotated Reactive CC(C)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl ZINC000653700294 KK Annotated Reactive COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)c(C5CC5)c4)ccc3c2[nH]1)C(C)C ZINC000653700305 KK Annotated Anodyne CCCc1c(Cl)c(OC)c(Cl)c(OC)c1Oc1c(Cl)c(O)c(Cl)c2c1C(=O)O[C@@H]2CC ZINC000653700679 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccc(Br)cc2C[C@@H]1CN(C)C ZINC000653700736 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2ccccc2C[C@@H]1CN(C)C ZINC000653700757 KK Annotated Anodyne COC(=O)[C@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1)C(C)C ZINC000653700797 KK Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1)C(C)C ZINC000653700798 KK Annotated Anodyne COC(=O)[C@H](N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1)C(C)C ZINC000653700799 KK Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1)C(C)C ZINC000653700800 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1[C@H](c2ncc(-c3ccc(-c4ccc5c(ccc6nc([C@@H]7C[Si](C)(C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)c4)cc3)[nH]2)[C@@H]2C[C@H]1[C@@H](F)[C@@H]2F)C(C)C ZINC000653701013 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1[C@H]2C[C@@H]([C@H]1c1ncc(-c3ccc(-c4ccc5c(ccc6nc([C@@H]7C[Si](C)(C)CN7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)c4)cc3)[nH]1)[C@@H](F)[C@H]2F)C(C)C ZINC000653701014 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1[C@H]2C[C@H]([C@H](F)[C@H]2F)[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653701015 KK Annotated Anodyne CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653701065 KK Annotated Anodyne CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653701066 KK Annotated Anodyne CC(=O)Nn1c(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1 ZINC000653701067 KK Annotated Anodyne CC(=O)Nn1c(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1 ZINC000653701068 KK Annotated Anodyne CCOC(=O)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653701103 KK Annotated Anodyne CCOC(=O)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)c1ccccc1 ZINC000653701104 KK Annotated Anodyne CCOC(=O)N1C/C(=C\c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1 ZINC000653701685 KK Annotated Mild CCOC(=O)N1C/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C1 ZINC000653701704 KK Annotated Mild CCOC(=O)N1C/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1 ZINC000653701729 KK Annotated Mild N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12C(=O)c1ccc(Br)c3c(Br)ccc2c13 ZINC000653701734 KK Annotated Reactive N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@]12C(=O)c1ccc(Br)c3c(Br)ccc2c13 ZINC000653701735 KK Annotated Reactive CCOC(=O)N1C/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1 ZINC000653701739 KK Annotated Mild COc1ccc2c(c1)[C@@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)(C)C)cc21 ZINC000653703150 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)(C)C)cc21 ZINC000653703151 KK Annotated Anodyne COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)(C)C)cc21 ZINC000653703152 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C(C)(C)C)cc21 ZINC000653703153 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653703171 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653703172 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653703173 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2cc(C)ccc12)Oc1ccccc1 ZINC000653703174 KK Annotated Anodyne CC[C@H](C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653703183 KK Annotated Anodyne CC[C@H](C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653703184 KK Annotated Anodyne CC[C@H](C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653703185 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653703188 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653703189 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653703190 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C)cc12)Oc1ccccc1 ZINC000653703191 KK Annotated Anodyne CCCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653703203 KK Annotated Anodyne CCCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653703204 KK Annotated Anodyne CCCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653703205 KK Annotated Anodyne CCCCS(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653703206 KK Annotated Anodyne COc1ccc2c(c1)[C@H]1C[C@]1(C(=O)N1[C@H]3CC[C@H]1CN(C)C3)Cn1c-2c(C2CCCCC2)c2ccc(C(=O)NS(=O)(=O)C3CCC3)cc21 ZINC000653703215 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653703231 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653703232 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653703233 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2c(C)cccc12)Oc1ccccc1 ZINC000653703234 KK Annotated Anodyne CCOC(=O)N1C/C(=C\c2cn(Cc3ccc(-c4ccccc4)cc3C#N)c3ccccc23)C(=O)/C(=C/c2cn(Cc3ccc(-c4ccccc4)cc3C#N)c3ccccc23)C1 ZINC000653704200 KK Annotated Mild Cc1cc(C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(C(=O)c2ccccc2)cc1C ZINC000653704568 KK Annotated Anodyne Cc1cc(C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2C)cc1C ZINC000653704578 KK Annotated Anodyne Cc1cc(C(=O)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1c(F)cc(C(=O)c2ccc(Cl)cc2)cc1Cl ZINC000653704636 KK Annotated Anodyne Cc1cc(C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1c(F)cc(C(=O)c2ccc(Cl)cc2)cc1Cl ZINC000653704651 KK Annotated Anodyne COc1ccc(Cc2nc(SCc3ccc(C(F)(F)F)cc3)nc(O)c2I)cc1OC ZINC000653705319 KK Annotated Anodyne COc1ccc(Cc2nc(SCc3ccc(I)cc3)nc(O)c2I)cc1OC ZINC000653705364 KK Annotated Anodyne O=C(CCl)Nn1c(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1 ZINC000653706003 KK Annotated Reactive O=C(CCl)Nn1c(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1 ZINC000653706004 KK Annotated Reactive COc1cc2ncnc(Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)c2cc1OCCCN1CCOCC1 ZINC000653706024 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653706031 KK Annotated Anodyne COC(=O)[C@@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653706032 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653706033 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(OCCN(C)c1cc(=O)oc2ccc(C(C)(C)C)cc12)Oc1ccccc1 ZINC000653706034 KK Annotated Anodyne C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]3(C)[C@@H]([C@H](C)CC(=O)[C@@H]4CC=C(CCC=C(C)C)C[C@@]4(C)C(=O)O)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000653706037 KK Annotated Mild C=C(C)[C@@H]1CC=C2[C@@H](CC[C@]23C(=C)CC[C@@]3(C)[C@H](C)CC(=O)[C@@H]2CC(CCC=C(C)C)=CC[C@@]2(C)C(=O)O)[C@@]1(C)CCC(=O)O ZINC000653706056 KK Annotated Mild COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(Oc1ccccc1)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1 ZINC000653706677 KK Annotated Anodyne COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(Oc1ccccc1)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1 ZINC000653706678 KK Annotated Anodyne C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000653706681 KK Annotated Mild C=CCc1ccc(O)c(-c2cc(CC=C)ccc2OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 ZINC000653706682 KK Annotated Mild COC(=O)[C@H](CC(C)C)N[P@@](=O)(Oc1ccccc1)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1 ZINC000653706683 KK Annotated Anodyne COC(=O)[C@H](CC(C)C)N[P@](=O)(Oc1ccccc1)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1 ZINC000653706684 KK Annotated Anodyne COc1c(OCCCCI)cc2oc3cc(OCCCCI)c(CC=C(C)C)c(OCCCCI)c3c(=O)c2c1CC=C(C)C ZINC000653707141 KK Annotated Reactive COc1c(OCCCCN(C)C)cc2oc3cc(OCCCCN(C)C)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C ZINC000653707148 KK Annotated Bother CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653707436 KK Annotated Anodyne CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653707437 KK Annotated Anodyne CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@H]1c1cc(OC)ccc1-3 ZINC000653707438 KK Annotated Anodyne CCN(C)S(=O)(=O)NC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@@]1(C(=O)N2[C@H]4CC[C@H]2CN(C)C4)C[C@@H]1c1cc(OC)ccc1-3 ZINC000653707439 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]23C[C@H]4C(C)(C)c5ccccc5C(=O)[C@]45C(=O)[C@@](CC=C(C)C)(C[C@@]1(C/C=C/C(C)(C)O)[C@@]52O)C3=O ZINC000653707440 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@]3(CC=C(C)C)C[C@@]14C[C@@H](C=C(C)C)[C@@](C(=O)c1ccccc1)(C3=O)[C@@]24O ZINC000653707455 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)c(F)c4)ccc3c2[nH]1)C(C)C ZINC000653707678 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cn4)ccc32)[nH]1)C(C)C ZINC000653707708 KK Annotated Anodyne C=CCc1ccc(OC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c(-c2cc(CC=C)ccc2OC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c1 ZINC000653708037 KK Annotated Mild C=CCc1ccc(OC(=O)c2ccccc2O)c(-c2cc(CC=C)ccc2OC(=O)c2ccccc2O)c1 ZINC000653708058 KK Annotated Mild Cc1cc(C(=O)c2ccccc2)ccc1OCC(=O)Nc1ccccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1C ZINC000653708440 KK Annotated Anodyne Cc1cc(C(=O)c2ccccc2)c(C)cc1OCC(=O)Nc1ccccc1NC(=O)COc1cc(C)c(C(=O)c2ccccc2)cc1C ZINC000653708483 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(-n3cccc3)cc2)C1 ZINC000653708508 KK Annotated Mild CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2-c2ccccc2)c(F)c1 ZINC000653708640 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)c(F)c1 ZINC000653708650 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2-c2ccccc2)cc1 ZINC000653708657 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)c(Cl)c1 ZINC000653708699 KK Annotated Anodyne Cc1cc(NS(=O)(=O)C(C)(C)C)ccc1-c1c(C(N)=O)c2cc(F)c(OC(F)F)cc2n1C1CCCCC1 ZINC000653708708 KK Annotated Anodyne C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)[C@@H]4CC(CCC=C(C)C)=CC[C@@]4(C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000653708719 KK Annotated Mild C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)[C@H]4CC=C(CCC=C(C)C)C[C@]4(C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000653708722 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)c(OC)c4)ccc3c2[nH]1)C(C)C ZINC000653708757 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)Nc3ccc(C#N)cc3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653708993 KK Annotated Mild COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2cc(C)ccc2C[C@@H]1CN(C)C ZINC000653709696 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2CCC[C@@H]1CN(C)C ZINC000653709697 KK Annotated Anodyne C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)[C@H]4CC(CCC=C(C)C)=CC[C@]4(C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)O ZINC000653710172 KK Annotated Mild C=C(C)[C@@H]1C=CC2=C3CC[C@@](C)([C@H](C)CC(=O)[C@@H]4CC=C(CCC=C(C)C)C[C@@]4(C)C(=O)O)[C@]3(C)CC[C@H]2[C@@]1(C)CCC(=O)OC ZINC000653710175 KK Annotated Mild O[C@](CNc1cccc2ccccc12)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653710184 KK Annotated Anodyne O[C@@](CNc1cccc2ccccc12)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653710185 KK Annotated Anodyne O[C@](CNc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653710197 KK Annotated Anodyne O[C@@](CNc1ccc(F)c(F)c1)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653710198 KK Annotated Anodyne CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(C(=O)N[C@@H](CCc2ccccc2)c2nc(C3CC3)no2)CCCC1 ZINC000653710235 KK Annotated Anodyne COc1ccc(-c2nc(CN3CCN(Cc4cc5c6ccccc6n(C)c5c(-c5ccc(OC)cc5)n4)CC3)cc3c4ccccc4n(C)c23)cc1 ZINC000653710257 KK Annotated Anodyne CCCCn1c2ccccc2c2cc(CN3CCN(Cc4cc5c6ccccc6n(CCCC)c5c(-c5ccc(OC)cc5)n4)CC3)nc(-c3ccc(OC)cc3)c21 ZINC000653710331 KK Annotated Anodyne COc1cccc(-c2cccc(NC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c2)c1 ZINC000653711364 KK Annotated Anodyne COC(=O)[C@@H](N[P@@](=O)(Oc1ccccc1)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1)C(C)C ZINC000653711548 KK Annotated Anodyne COC(=O)[C@@H](N[P@](=O)(Oc1ccccc1)Oc1cc(OC(C)=O)c2c(=O)cc(-c3ccc(OC(C)=O)cc3)oc2c1)C(C)C ZINC000653711554 KK Annotated Anodyne COc1cccc(-c2cc(NC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000653711604 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2OCC[C@@H]1CN(C)C ZINC000653712766 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2OCC[C@@H]1CN(C)C ZINC000653712777 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2cc(C)ccc2C[C@@H]1CN(C)C ZINC000653712788 KK Annotated Anodyne CC(C)(NC(=O)C1(C(F)(F)F)CC1)C(=O)Nc1nc(C(C)(C)c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 ZINC000653712791 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1ccccc1 ZINC000653712805 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1ccccc1 ZINC000653712806 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccc(Br)cc2C[C@@H]1CN(C)C ZINC000653712825 KK Annotated Anodyne COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@]1(O)c2ccccc2CC[C@@H]1CN(C)C ZINC000653712895 KK Annotated Anodyne O[C@@](CNc1ccc2c(c1)OCO2)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653713006 KK Annotated Anodyne O[C@](CNc1ccc2c(c1)OCO2)(c1ccc(Cl)cc1)c1nnn(Cc2ccccc2)c1-c1ccc(Cl)cc1 ZINC000653713007 KK Annotated Anodyne COc1cc(NC[C@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccc(Cl)cc2)ccc1Br ZINC000653713024 KK Annotated Anodyne COc1cc(NC[C@@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccc(Cl)cc2)ccc1Br ZINC000653713025 KK Annotated Anodyne Cc1ccc(NC[C@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccc(Cl)cc2)cc1C ZINC000653713045 KK Annotated Anodyne Cc1ccc(NC[C@@](O)(c2ccc(Cl)cc2)c2nnn(Cc3ccccc3)c2-c2ccc(Cl)cc2)cc1C ZINC000653713046 KK Annotated Anodyne O=C(O[C@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000653713057 KK Annotated Reactive O=C(Nc1ccccc1)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)c(CN3CCOCC3)c(=O)n21 ZINC000653713127 KK Annotated Anodyne C=CCc1ccc(OC(=O)C[C@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)c(-c2cc(CC=C)ccc2OC(=O)C[C@@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)c1 ZINC000653713131 KK Annotated Mild C=CCc1ccc(OC(=O)C[C@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)c(-c2cc(CC=C)ccc2OC(=O)C[C@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)c1 ZINC000653713132 KK Annotated Mild C=CCc1ccc(OC(=O)C[C@@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)c(-c2cc(CC=C)ccc2OC(=O)C[C@@]2(CC)OCCc3c2[nH]c2c(CC)cccc32)c1 ZINC000653713133 KK Annotated Mild C=CCc1ccc(OC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c(-c2cc(CC=C)ccc2OC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1 ZINC000653713143 KK Annotated Mild Cc1nc(CN2CCN(Cc3cc4c5ccccc5n(C)c4c(C)n3)CC2)cc2c3ccccc3n(C)c12 ZINC000653713255 KK Annotated Anodyne O=C(C[C@@H](c1c(Cl)cccc1Cl)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653713290 KK Annotated Anodyne O=C(C[C@H](c1c(Cl)cccc1Cl)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653713291 KK Annotated Anodyne COc1ccc(Cc2nc(SCc3cccc(Cl)c3)nc(O)c2I)cc1OC ZINC000653714158 KK Annotated Anodyne COc1ccc(Cc2nc(SCCOc3ccc(Br)cc3)nc(O)c2I)cc1OC ZINC000653714191 KK Annotated Anodyne COc1ccc(Cc2nc(SC3CCCCCC3)nc(O)c2I)cc1OC ZINC000653714197 KK Annotated Anodyne C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)[C@](O)(CCN(C)C)c1ccccc1 ZINC000653714237 KK Annotated Mild C=CCOc1nc2ccccc2cc1C(c1cc2ccccc2nc1OCC=C)[C@@](O)(CCN(C)C)c1ccccc1 ZINC000653714238 KK Annotated Mild COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1cccc2ccccc12 ZINC000653714240 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc2ccccc12 ZINC000653714241 KK Annotated Anodyne CN(C)CC[C@@](O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21 ZINC000653714244 KK Annotated Anodyne CN(C)CC[C@](O)(c1cccc(Br)c1)C1c2cc3ccccc3nc2OCC/C=C\CCOc2nc3ccccc3cc21 ZINC000653714245 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(Br)c1 ZINC000653714253 KK Annotated Anodyne COc1nc2ccccc2cc1C(c1cc2ccccc2nc1OC)[C@](O)(CCN(C)C)c1cccc(Br)c1 ZINC000653714254 KK Annotated Anodyne CCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCC)CC2)CC1 ZINC000653714255 KK Annotated Reactive CC(C)(C)OC(=O)Nc1ccc(OCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653714262 KK Annotated Anodyne CCCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCCC)CC2)CC1 ZINC000653714281 KK Annotated Reactive COc1ccc(-c2nc(CN3CCN(Cc4cc5c([nH]c6ccccc65)c(-c5ccc(OC)cc5)n4)CC3)cc3c2[nH]c2ccccc23)cc1 ZINC000653714704 KK Annotated Anodyne CCCCn1c2ccccc2c2cc(CN3CCN(Cc4cc5c6ccccc6n(CCCC)c5c(-c5ccc(OC)c(OC)c5)n4)CC3)nc(-c3ccc(OC)c(OC)c3)c21 ZINC000653714708 KK Annotated Anodyne O=C(C[C@H](c1ccc(F)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000653714770 KK Annotated Anodyne O=C(C[C@@H](c1ccc(F)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000653714780 KK Annotated Anodyne O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc2ccccc2c1 ZINC000653714781 KK Annotated Anodyne O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc2ccccc2c1 ZINC000653714784 KK Annotated Anodyne CCOC(=O)c1sc(NCc2cncn2Cc2ccc([N+](=O)[O-])cc2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653714820 KK Annotated Mild Cc1cc(C)c([C@H](CC(=O)c2ccccc2)C(C(=O)Nc2ccccn2)C(=O)Nc2ccccn2)c(C)c1 ZINC000653714833 KK Annotated Anodyne Cc1cc(C)c([C@@H](CC(=O)c2ccccc2)C(C(=O)Nc2ccccn2)C(=O)Nc2ccccn2)c(C)c1 ZINC000653714834 KK Annotated Anodyne Cn1c2ccccc2c2cc(CN3CCN(Cc4cc5c6ccccc6n(C)c5c(-c5ccccc5)n4)CC3)nc(-c3ccccc3)c21 ZINC000653714836 KK Annotated Anodyne COc1cc(-c2nc(CN3CCN(Cc4cc5c([nH]c6ccccc65)c(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cc3c2[nH]c2ccccc23)cc(OC)c1OC ZINC000653714839 KK Annotated Anodyne COc1cc(-c2nc(CN3CCN(Cc4cc5c6ccccc6n(C)c5c(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)cc3c4ccccc4n(C)c23)cc(OC)c1OC ZINC000653714840 KK Annotated Anodyne CC1=CC(C)=[N+]2C1=C(CCc1cc(=O)n3c(c1C1CC1)SC[C@@H]3C(=O)Nc1cccc(C)c1)c1c(C)cc(C)n1[B-]2(F)F ZINC000653714997 KK Annotated Anodyne CC1=CC(C)=[N+]2C1=C(CCc1cc(=O)n3c(c1C1CC1)SC[C@H]3C(=O)Nc1cccc(C)c1)c1c(C)cc(C)n1[B-]2(F)F ZINC000653714998 KK Annotated Anodyne CCCCCCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCCCCCC)CC2)CC1 ZINC000653715435 KK Annotated Reactive CCCCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCCCC)CC2)CC1 ZINC000653715475 KK Annotated Reactive COc1ccc(N(C(=O)c2cccc(C)c2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1OC ZINC000653715990 KK Annotated Anodyne COc1ccc(N(C(=O)c2cccc(C)c2C)[C@H](C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1OC ZINC000653715991 KK Annotated Anodyne COc1ccc(N(C(=O)c2cc(C)ccc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000653716005 KK Annotated Bother COc1ccc(N(C(=O)c2cc(C)ccc2C)[C@H](C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000653716006 KK Annotated Bother COc1cc(OC)c2c(C)c(C(=O)NNC(=O)c3c(OC)cc(OC)c4c(-c5ccc(Cl)cc5)c[nH]c34)[nH]c2c1 ZINC000653716237 KK Annotated Reactive CCCCCCCCCCCCCCNCCCNC[C@@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000653716293 KK Annotated Mild CCCCCCCCCCCCCCNCCCNC[C@H](O)COC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21 ZINC000653716294 KK Annotated Mild O=C(C[C@@H](c1ccc(Cl)cc1Cl)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653716360 KK Annotated Anodyne O=C(C[C@H](c1ccc(Cl)cc1Cl)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccccc1 ZINC000653716361 KK Annotated Anodyne CCCCn1c2ccccc2c2cc(CN3CCN(Cc4cc5c6ccccc6n(CCCC)c5c(-c5cc(OC)c(OC)c(OC)c5)n4)CC3)nc(-c3cc(OC)c(OC)c(OC)c3)c21 ZINC000653716366 KK Annotated Anodyne O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000653716369 KK Annotated Anodyne O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccn1)C(=O)Nc1ccccn1)c1ccc(F)cc1 ZINC000653716370 KK Annotated Anodyne COc1ccc(C(C)(C)c2cnc(SCCOc3ccc(-c4nccs4)cc3)n2-c2ccc(F)cc2)cc1OC ZINC000653717111 KK Annotated Anodyne COc1cc([C@H]2/C(=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)C(=O)c3cccn32)ccc1OCc1ccccc1 ZINC000653717157 KK Annotated Mild COc1cc([C@@H]2/C(=C\c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)C(=O)c3cccn32)ccc1OCc1ccccc1 ZINC000653717159 KK Annotated Mild Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C ZINC000653717162 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(OCC)cc2)C1 ZINC000653717193 KK Annotated Mild CCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(OCCCCN(CC)CC)c1CC=C(C)C ZINC000653717438 KK Annotated Bother COc1nc2ccc(Br)cc2cc1[C@H](c1ccccc1)[C@@]1(O)c2cc(Cl)ccc2OCC[C@@H]1CN(C)C ZINC000653717440 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653717453 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653717454 KK Annotated Anodyne Cc1nc(C)c(COC(=O)c2cc(OCc3nc(C)c(C)nc3C)c(OCc3nc(C)c(C)nc3C)c(OCc3nc(C)c(C)nc3C)c2)nc1C ZINC000653717474 KK Annotated Anodyne COc1ccc(Br)cc1-c1c(Cc2ccc(C(F)(F)F)cc2)nnc(O)c1Br ZINC000653717819 KK Annotated Anodyne CCN1/C(=C/C2=C(O)/C(=C/C3=[N+](CC)c4ccc(Br)cc4C3(C)C)C2=O)C(C)(C)c2cc(Br)ccc21 ZINC000653718351 KK Annotated Mild CC1(C)C(/C=C2/C(=O)C(/C=C3\Nc4ccc(Br)cc4C3(C)C)=C2O)=Nc2ccc(Br)cc21 ZINC000653718375 KK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653718511 KK Annotated Mild CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)C(=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](F)[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000653718515 KK Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)n2nc(-c3ccccc3)cc2n1)N1CCN(C(=O)c2cccnc2Nc2ccccc2)CC1 ZINC000653718814 KK Annotated Anodyne CC(C)=CCc1c(C)cc2cc3c(c(O)c2c1O)C(=O)C(CC1=C(O)C(CC=C(C)C)(CC=C(C)C)c2cc4cc(C)c(CC=C(C)C)c(O)c4c(O)c2C1=O)=C(O)C3(CC=C(C)C)CC=C(C)C ZINC000653719091 KK Annotated Mild CCCc1noc(/C(CCC=C(C)C)=C2\[C@@H](OC(C)=O)C[C@@]3(C)[C@H]2C[C@@H](O)[C@H]2[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]23C)n1 ZINC000653719633 KK Annotated Anodyne CCc1noc(/C(CCC=C(C)C)=C2\[C@@H](OC(C)=O)C[C@@]3(C)[C@H]2C[C@@H](O)[C@H]2[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]23C)n1 ZINC000653719635 KK Annotated Anodyne C=C(C)[C@@H](/C=C/C(C)C)C[C@@]12C[C@@H](/C=C\C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O ZINC000653719648 KK Annotated Mild COc1cc2c(cc(C#N)n2CCO)c(C)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000653719649 KK Annotated Mild CC1(C)C[C@H](c2ccc(C(F)(F)F)cc2C2=CCNCC2)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653720210 KK Annotated Anodyne CC1(C)C[C@@H](c2ccc(C(F)(F)F)cc2C2=CCNCC2)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653720212 KK Annotated Anodyne CC1(C)C[C@@H](c2ccc(C(F)(F)F)cc2C2=CCNCC2)c2ccc(S(=O)(=O)Nc3ncns3)cc2O1 ZINC000653720267 KK Annotated Anodyne CC1(C)C[C@H](c2ccc(C(F)(F)F)cc2C2=CCNCC2)c2ccc(S(=O)(=O)Nc3ncns3)cc2O1 ZINC000653720268 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NS(=O)(=O)c1ccccc1 ZINC000653720439 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)c1nc(-c2ccc(F)cc2)no1 ZINC000653720444 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000653720583 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)c1nnc(O)o1 ZINC000653720621 KK Annotated Anodyne CCCOc1cc(OCCCCCCNC(=O)OC(C)(C)C)cc(Oc2cc3c(cc2NS(=O)(=O)c2cn(C)cn2)n(C)c(=O)n3C)c1 ZINC000653721414 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@H]2Oc1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653721477 KK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC ZINC000653721485 KK Annotated Mild Cn1c(N2CCC(F)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653721529 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721895 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721896 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721897 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721898 KK Annotated Anodyne CCc1cccc2c1N(C)Cc1cc(OCc3ccc(-n4cccn4)cn3)c(OCc3ccc(-n4cccn4)cn3)cc1-2 ZINC000653721924 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721940 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721941 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccc(Br)cc2)ccc1O ZINC000653721942 KK Annotated Anodyne O=C(O)c1cc(C(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccc(Br)cc2)ccc1O ZINC000653721943 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)c1nc(C)no1 ZINC000653722038 KK Annotated Anodyne Cn1c(N2CCC(F)(F)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653722476 KK Annotated Mild Cn1c(N2CCSCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653722478 KK Annotated Anodyne Cn1c(N2CCN(C3CC3)CC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653722479 KK Annotated Anodyne CCc1cccc2c1N(C)Cc1cc(OCc3cc4cc(Cl)ccc4s3)c(OCc3cc4cc(Cl)ccc4s3)cc1-2 ZINC000653723283 KK Annotated Anodyne CCN1/C(=C/C2=C(O)/C(=C/C3=[N+](CC)c4ccc(I)cc4C3(C)C)C2=O)C(C)(C)c2cc(I)ccc21 ZINC000653723499 KK Annotated Mild CC1(C)C(/C=C2/C(=O)C(/C=C3\Nc4ccc(I)cc4C3(C)C)=C2O)=Nc2ccc(I)cc21 ZINC000653723505 KK Annotated Mild CCCCN1/C(=C/C2=C(O)/C(=C/C3=[N+](CCCC)c4ccc(Br)cc4C3(C)C)C2=O)C(C)(C)c2cc(Br)ccc21 ZINC000653723507 KK Annotated Mild CCCCN1/C(=C/C2=C(O)/C(=C/C3=[N+](CCCC)c4ccc(I)cc4C3(C)C)C2=O)C(C)(C)c2cc(I)ccc21 ZINC000653723509 KK Annotated Mild Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3cccc(CNC(=O)CC(C)C)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653724589 KK Annotated Anodyne COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6ccc([C@@H]7C[C@@]8([C@@H](C)O)CCCN9CCc%10c(n7c7ccccc%107)[C@H]98)cc6N[C@]15CC2)[C@@H]43 ZINC000653724613 KK Annotated Anodyne CC(C)O[C@@H](CO)Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000653724737 KK Annotated Mild CC(C)O[C@H](CO)Cn1c(C#N)cc2cc(CN3CCC(Nc4ncnc5sc(CC(F)(F)F)cc45)CC3)ccc21 ZINC000653724738 KK Annotated Mild CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 ZINC000653724745 KK Annotated Reactive CCCCS(=O)(=O)NNC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C ZINC000653724990 KK Annotated Reactive CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccccc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653725348 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCOc2ccccc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653725349 KK Annotated Anodyne Cn1c(N2CCOCC2)cc(OCc2ccc(Oc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)nc1=O ZINC000653725368 KK Annotated Anodyne COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC(=O)C2(C)C ZINC000653725564 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(C(=O)NCc4ccccc4)o3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653725573 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccnc(NCCc4ccccc4)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653725581 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000653725587 KK 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)NC2CCCCC2)CC1 ZINC000653725589 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccnc(NCCC(C)C)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653725594 KK Annotated Anodyne COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)C(=O)CC2 ZINC000653725605 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(C(=O)NCc4ccncc4)o3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653725606 KK 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](CO)[C@H]4NC(=S)Nc1cccc(Br)c1 ZINC000653726121 KK 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](CO)[C@H]4NC(=S)Nc1ccc(Cl)cc1 ZINC000653726129 KK 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](CO)[C@H]4NC(=S)Nc1ccc(Br)cc1 ZINC000653726143 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(CC(O)Cn2cc(/C=C3\C(=O)N(c4cccc(Cl)c4)N=C3C)c3ccccc32)c2ccccc12 ZINC000653726156 KK Annotated Clean CN(C)c1ccc(/C=C/C(=O)/C(CNc2cccc(C(F)(F)F)c2)=C(O)/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000653726167 KK 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](CO)[C@H]4NC(=S)Nc1ccccc1Br ZINC000653726190 KK Annotated Anodyne CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)N[C@@]46CC[C@]7(CCCN8CC[C@]54[C@@H]87)C[C@H]6C(=O)O)C1)[C@H]32 ZINC000653726210 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NNS(=O)(=O)c1ccc(C)cc1 ZINC000653726457 KK Annotated Reactive CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000653726487 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C([C@H](O)C[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000653726504 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1)N1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000653726596 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 ZINC000653726616 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1 ZINC000653726675 KK Annotated Reactive CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(=S)Nc1ccccc1OC ZINC000653727780 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccnc(N(C)CCc4ccccc4)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653727781 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccnc(NC4Cc5ccccc5C4)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653727846 KK Annotated Anodyne CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000653727889 KK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(-c7nn[nH]n7)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000653727960 KK Annotated Mild CCCOc1cc(OCCCCCCN)cc(Oc2cc3c(cc2NS(=O)(=O)c2ccc(OC)c(OC)c2)n(C)c(=O)n3C)c1 ZINC000653727967 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1C[C@H]3O ZINC000653729201 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[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=O ZINC000653729209 KK Annotated Mild CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000653729215 KK Annotated Anodyne CN(Cc1ccccc1)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000653729588 KK Annotated Reactive Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(O)cc2[nH]c(C#N)cc12 ZINC000653729618 KK Annotated Mild CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 ZINC000653729627 KK Annotated Reactive CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2 ZINC000653730169 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC3 ZINC000653730175 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3=O ZINC000653730177 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000653730268 KK Annotated Anodyne CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 ZINC000653730320 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NC#N ZINC000653730533 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NNC(=O)c1cccs1 ZINC000653730825 KK Annotated Reactive COc1cc2[nH]c(C#N)cc2c(C)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000653730863 KK Annotated Mild Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3cc(F)c4[nH]c(C)nc4c3)c(Cl)c2)n1 ZINC000653730868 KK Annotated Anodyne Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccc(O)c(F)c3)c3ccc4nc(C)[nH]c4c3)c(Cl)c2)n1 ZINC000653730882 KK Annotated Anodyne COc1cc2c(cc1CN1CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC1)cc(C#N)n2Cc1cn[nH]c1 ZINC000653731281 KK Annotated Mild C/C=C(\C)CO[C@@H]1CC([C@@H](O)[C@]2(C)C=C3OC(=O)C4=C3[C@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC/C(C)=C/C)C4)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@H]12 ZINC000653732483 KK Annotated Mild Cc1c(O)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1[C@@H](C)c1c(Cl)cccc1Cl ZINC000653732499 KK Annotated Clean Cc1c(O)nc(N(C)Cc2ccc(N3CCN(C)CC3)cc2)nc1[C@H](C)c1c(Cl)cccc1Cl ZINC000653732500 KK Annotated Clean COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4cn(-c5ccc(F)c(Cl)c5)nn4)c(OC)c3)oc2c1 ZINC000653733677 KK Annotated Anodyne COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4cn(-c5ccc(F)c(Cl)c5)nn4)c(OCc4cn(-c5ccc(F)c(Cl)c5)nn4)c3)oc2c1 ZINC000653733678 KK Annotated Anodyne CC[C@@]12CCCN3CCc4c(n(c5ccccc45)[C@H](c4ccc5c(c4)N[C@@]46CC[C@]7(CCCN8CC[C@]54[C@@H]87)C[C@H]6C(=O)OC)C1)[C@H]32 ZINC000653733700 KK Annotated Anodyne Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)c(O)cc2c1cc(C#N)n2Cc1cn[nH]c1 ZINC000653733702 KK Annotated Mild COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4cn(-c5ccc(F)cc5Cl)nn4)c(OC)c3)oc2c1 ZINC000653733711 KK Annotated Anodyne COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4cn(-c5ccc(F)cc5Cl)nn4)c(OCc4cn(-c5ccc(F)cc5Cl)nn4)c3)oc2c1 ZINC000653733717 KK Annotated Anodyne COc1cc(OC)c2c(=O)cc(-c3ccc(OCc4cn(-c5ccc(Cl)cc5)nn4)c(OC)c3)oc2c1 ZINC000653733722 KK 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](CO)[C@H]4NC(=S)Nc1cccc(C)c1 ZINC000653733754 KK 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](CO)[C@H]4NC(=S)Nc1ccccc1 ZINC000653733796 KK 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](CO)[C@H]4NC(=S)Nc1ccccc1C ZINC000653733797 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3ccc(C(=O)O)o3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653735417 KK 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](CO)[C@H]4NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000653735424 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(=S)Nc1ccc(OC)cc1 ZINC000653735439 KK Annotated Anodyne CCCC[C@H](Cl)CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)c([C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 ZINC000653735446 KK Annotated Reactive CCCC[C@@H](CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1)c1c(O)cc([C@H](OC(C)=O)[C@@H](C)CCCC[C@H](Cl)CCCC)cc1O ZINC000653735447 KK Annotated Reactive CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(=S)Nc1ccc(C)cc1 ZINC000653735466 KK Annotated Anodyne CCCC[C@@H](CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1)c1c(O)cc([C@H](O)[C@@H](C)CCCC[C@H](Cl)CCCC)cc1O ZINC000653735472 KK Annotated Reactive CCCC[C@H](Cl)CCCC[C@H](C)[C@@H](O)c1cc(O)c([C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 ZINC000653735473 KK Annotated Reactive CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(=S)Nc1cccc(OC)c1 ZINC000653735490 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3cccc(CNC(=O)c4ccccc4C(F)(F)F)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653735499 KK 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](CO)[C@H]4NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000653735508 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000653735512 KK Annotated Bother Cc1ccc(CN(Cc2ccc(-c3ccccc3[S@@](C)(=O)=NC#N)cc2)C(=O)c2ccccc2Cl)cc1 ZINC000653735535 KK Annotated Anodyne Cc1ccc(CN(Cc2ccc(-c3ccccc3[S@](C)(=O)=NC#N)cc2)C(=O)c2ccccc2Cl)cc1 ZINC000653735536 KK Annotated Anodyne CC(C)(C#N)c1ccc(N=c2c(N(S(C)(=O)=O)S(C)(=O)=O)c[nH]c3ccc(-c4cnc5ccccc5c4)cc23)cc1 ZINC000653735648 KK Annotated Mild CC(C)(C#N)c1ccc(N=c2c(NS(C)(=O)=O)c[nH]c3ccc(-c4cnc5ccccc5c4)cc23)cc1 ZINC000653735653 KK Annotated Mild CC(C)(C#N)c1ccc(N=c2c(NC(=O)C(F)(F)F)c[nH]c3ccc(-c4cnc5ccccc5c4)cc23)cc1 ZINC000653735680 KK Annotated Mild COc1ccc(Nc2ncccc2C(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n4nc(-c5ccccc5)cc4n3)CC2)cc1OC ZINC000653735911 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3cccc(CNC(=O)c4cccn4C)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653735956 KK Annotated Anodyne Cc1nccn1C(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C[C@@H](F)[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000653736010 KK Annotated Reactive Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3cccc(CNC(=O)c4ccoc4)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653736034 KK Annotated Anodyne CC(=O)NCc1cccc(S(=O)(=O)NC(=O)c2[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc3c2CCCOc2cc(C)c(Cl)c(C)c2)c1 ZINC000653736073 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3cccc(CNC(=O)c4cccc(C(F)(F)F)c4)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653736119 KK Annotated Anodyne COc1ccc(Nc2ncccc2C(=O)N2CCN(C(=O)c3cc(-c4ccc(Cl)c(Cl)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc1OC ZINC000653736194 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](NC(=S)NNC(=O)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000653737363 KK Annotated Reactive COc1cc(/C=C2\CN(C)C/C(=C\c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC ZINC000653737364 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5cccc([N+](=O)[O-])c5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653737366 KK Annotated Mild COc1cc(/C=C2\CC(C)C/C(=C\c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC ZINC000653737375 KK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](NC(=S)N[C@@H](C)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 ZINC000653737377 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccc(F)cc4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653737382 KK Annotated Mild CCCC(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C[C@@H](F)[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000653737386 KK Annotated Reactive COc1cc(/C=C2\CC(C(C)C)C/C(=C\c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC ZINC000653737392 KK Annotated Mild CC(C)CC[C@]1(Cc2ccccc2)NC=C([C@@]2(Cc3ccccc3)NC=C([C@]3(CCCN)NC=C([C@@]4(CC(C)C)NC=C(Cc5ccccc5)C4=O)C3=O)C2=O)C1=O ZINC000653737395 KK Annotated Mild COc1cc(/C=C\C(=O)OCCCc2cc(OC)c3c(c2)[C@@H](CO)[C@H](c2cc(OC)c(O[C@H](CO)[C@H](O)c4ccc(O)c(OC)c4)c(OC)c2)O3)ccc1O ZINC000653737413 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5ccccc5C#N)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653737417 KK Annotated Mild COc1ccc(/C=C2\CC(C(C)C)C/C(=C\c3ccc(OC)c(OC)c3Cl)C2=O)c(Cl)c1OC ZINC000653737433 KK Annotated Mild Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2Cc1cnn[nH]1 ZINC000653737445 KK Annotated Mild CCCC(=O)OC[C@]1(C)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](F)[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000653737520 KK Annotated Anodyne CC(C)(C)C(=O)Nc1c[nH]c2ccc(-c3cnc4ccccc4c3)cc2c1=Nc1ccc(C(C)(C)C#N)cc1 ZINC000653737656 KK Annotated Mild CN(c1ccc(OCCN2CCN(Cc3c(F)cccc3F)CC2)cc1)c1nc(Cl)nc2ccccc12 ZINC000653737694 KK Annotated Anodyne Cc1cc(OCCCc2c(C(=O)NS(=O)(=O)c3cccc(CNC(=O)C(C)C)c3)[nH]c3c(-c4c(C)nn(C)c4C)c(Cl)ccc23)cc(C)c1Cl ZINC000653737715 KK Annotated Anodyne COc1cc(-c2cc(C(=O)N3CCN(C(=O)c4cccnc4Nc4ccc(F)cc4)CC3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC ZINC000653737789 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5ccncc5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738027 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccc(Cl)cc4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738028 KK Annotated Mild COc1cc(OC)c(-n2cc(COc3ccc(/C=C4\C[C@@]5(C)[C@@H](CC[C@@](C)(O)[C@@H]5CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)(C)C4=O)cc3)nn2)c(OC)c1 ZINC000653738036 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4cccc([N+](=O)[O-])c4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738037 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccccc4C#N)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738044 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4cccc(Br)c4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738045 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5cccc(O)c5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738092 KK Annotated Mild COc1cc(/C=C/C(=O)OCCCc2cc(OC)c3c(c2)[C@@H](CO)[C@H](c2cc(OC)c(O[C@@H](CO)[C@H](O)c4ccc(O)c(OC)c4)c(OC)c2)O3)ccc1O ZINC000653738229 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCCc2cc(OC)c3c(c2)[C@@H](CO)[C@H](c2cc(OC)c(O[C@H](CO)[C@H](O)c4ccc(O)c(OC)c4)c(OC)c2)O3)ccc1O ZINC000653738231 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5cccc(C(F)(F)F)c5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653738254 KK Annotated Mild CC(=O)C1=C(CNc2ccc(C(=O)/C=C/c3ccc(N(C)C)cc3)cc2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000653738266 KK Annotated Mild CC(=O)C1=C(CNc2ccc(C(=O)/C=C/c3ccc(N(C)C)cc3)cc2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000653738268 KK Annotated Mild CCCCCC(=O)c1c(O)c(CC2=C(O)[C@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c(O)c(CC2=C(O)[C@](C)(CC=C(C)C)C(O)=C(C(=O)CCC)C2=O)c1O ZINC000653738867 KK Annotated Mild CCCCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000653738902 KK Annotated Mild COc1ccc(Br)cc1C1=C(Br)C(=O)O/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000653738909 KK Annotated Anodyne CCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c3c(c(C(=O)CCC)c2O)OC(C)(C)C=C3)C1=O ZINC000653738927 KK Annotated Mild CCCCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC=C(C)C)c(OC)c(C(=O)CCCCC)c2O)C1=O ZINC000653738940 KK Annotated Mild COc1cc2c(cc(C#N)n2Cc2cnn[nH]2)c(C)c1CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1 ZINC000653738942 KK Annotated Mild O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(Nc2nc3ccccc3s2)cc1 ZINC000653738985 KK Annotated Anodyne COc1cc(-c2cc(C(=O)N3CCN(C(=O)c4cccnc4Nc4ccccc4)CC3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC ZINC000653739131 KK Annotated Anodyne COc1ccc(C(=O)C2=C3OC(C)(C)[C@@H](CC=C(C)C)C[C@@]34C[C@@H](/C=C\C(C)C)C(C)(C)[C@@](CC=C(C)C)(C2=O)C4=O)cc1O ZINC000653739140 KK Annotated Mild COc1cc(Nc2ncccc2C(=O)N2CCN(C(=O)c3cc(-c4ccc(Cl)c(Cl)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc(OC)c1OC ZINC000653739168 KK Annotated Anodyne O=C(c1cc(-c2ccc(F)cc2)n2nc(-c3ccccc3)cc2n1)N1CCN(C(=O)c2cccnc2Nc2ccc(F)cc2)CC1 ZINC000653739180 KK Annotated Anodyne Cc1nc(N(C)c2ccc(OCCN3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2)c2ccccc2n1 ZINC000653739194 KK Annotated Anodyne COc1ccc(Nc2ncccc2C(=O)N2CCN(C(=O)c3cc(-c4cc(OC)c(OC)c(OC)c4)n4nc(-c5ccccc5)cc4n3)CC2)cc1OC ZINC000653739201 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC(CCNC2=CC(=O)c3ccccc3C2=O)=Nc2ccc(Cl)cc2Cl)cc1 ZINC000653739205 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5c(Cl)cc([N+](=O)[O-])cc5Cl)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653739212 KK 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](CO)[C@H]4NC(=S)Nc1ccccc1Cl ZINC000653739227 KK Annotated Anodyne CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(O)nc2=O)O[C@@H]1CO[P@@](=O)(NCCCCN=[N+]=[N-])Oc1ccc(Cl)cc1 ZINC000653739234 KK Annotated Clean CC(C)(C)OC(=O)O[C@H]1C[C@H](n2cc(F)c(O)nc2=O)O[C@@H]1CO[P@](=O)(NCCCCN=[N+]=[N-])Oc1ccc(Cl)cc1 ZINC000653739235 KK Annotated Clean CC(=O)OC[C@]1(C)C=C(C=O)[C@]2(C)[C@H]3C[C@@H](F)[C@]45OC(=O)[C@@]6(CC[C@@H](C)[C@H](C)[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@@H]12 ZINC000653739254 KK Annotated Reactive CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4NC(=S)Nc1ccccc1F ZINC000653739280 KK 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](CO)[C@H]4NC(=S)Nc1cccc(F)c1 ZINC000653739284 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccccc4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653739290 KK 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](CO)[C@H]4NC(=S)Nc1ccc(F)cc1 ZINC000653739292 KK Annotated Anodyne O=C1/C(=C\c2cn(CC(O)Cn3cc(/C=C4\C(=O)N(c5c(Cl)cccc5Cl)c5ccccc54)c4ccccc43)c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000653739299 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5ccc(F)c(Cl)c5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653739300 KK Annotated Mild Cc1cc(Oc2ccc(N(C3CCCC3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl ZINC000653739741 KK Annotated Anodyne CCCCc1ccc(-n2cc(COC(=O)c3cc4ccccc4n3Cc3cn(-c4ccc(CCCC)cc4)nn3)nn2)cc1 ZINC000653739756 KK Annotated Anodyne O=C(OCc1cn(-c2ccccc2Br)nn1)c1cc2ccccc2n1Cc1cn(-c2ccccc2Br)nn1 ZINC000653739761 KK Annotated Anodyne CCCCCC(=O)C1=C(O)[C@@](C)(CC=C(C)C)C(O)=C(Cc2c(O)c(CC3=C(O)[C@](C)(CC=C(C)C)C(O)=C(C(=O)CCCCC)C3=O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000653739789 KK Annotated Mild Cc1cccc(-n2cc(COC(=O)c3cc4ccccc4n3Cc3cn(-c4cccc(C)c4C)nn3)nn2)c1C ZINC000653739790 KK Annotated Anodyne Cc1cc(C)cc(-n2cc(COC(=O)c3cc4ccccc4n3Cc3cn(-c4cc(C)cc(C)c4)nn3)nn2)c1 ZINC000653739794 KK Annotated Anodyne COc1ccccc1-c1csc(C2(CNC(=O)c3ccc(Cn4nc(C)cc4C)cc3)CCOCC2)n1 ZINC000653740444 KK Annotated Anodyne O=C(NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000653740447 KK Annotated Anodyne O=C(NS(=O)(=O)c1ccc(Cl)cc1)[C@H](Sc1nc2cc(Cl)ccc2s1)c1ccccc1 ZINC000653740448 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccncc4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653740632 KK Annotated Mild COc1cccc(-n2cc(CO/N=C3\CC[C@@]4(C)[C@@H](CC[C@@](C)(O)[C@@H]4CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C3(C)C)nn2)c1 ZINC000653740666 KK Annotated Mild COc1cc(OC)c(-n2cc(CO/N=C3\CC[C@@]4(C)[C@@H](CC[C@@](C)(O)[C@@H]4CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C3(C)C)nn2)c(OC)c1 ZINC000653740671 KK Annotated Mild CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](F)[C@]23NC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000653740784 KK 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](CO)[C@H]4NC(=S)Nc1cccc(Cl)c1 ZINC000653740787 KK Annotated Anodyne COc1cccc(-n2cc(COc3ccc(/C=C4\C[C@@]5(C)[C@@H](CC[C@@](C)(O)[C@@H]5CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(C)(C)C4=O)cc3)nn2)c1 ZINC000653741122 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5ccc(Cl)cc5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653741168 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5ccc(F)cc5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653741170 KK Annotated Mild Cc1cc(Oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl ZINC000653741214 KK Annotated Anodyne CC1(C)C[C@H](c2ccc(C(F)(F)F)cc2C2(F)CNC2)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653742639 KK Annotated Anodyne CC1(C)C[C@@H](c2ccc(C(F)(F)F)cc2C2(F)CNC2)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653742640 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@H]2c1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653742643 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@@H]2c1ccc(C(F)(F)F)cc1C1=CCNCC1 ZINC000653742644 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCC[C@H]2Oc1ccc(C(F)(F)F)cc1-c1ccc(F)cn1 ZINC000653742645 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)c1nnc(S)o1 ZINC000653742653 KK Annotated Anodyne CC[C@@H]1C[C@@H](Oc2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)Nc3nccs3)cc2O1 ZINC000653742684 KK Annotated Anodyne Cc1ccc(CN(Cc2ccc(-c3ccccc3S(C)=NC#N)cc2)C(=O)c2ccccc2Cl)cc1 ZINC000653742706 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(N)=O ZINC000653742709 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1[C@@H]1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 ZINC000653743757 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1[C@H]1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 ZINC000653743758 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2(C)CC2)NC(=O)[C@@H]2C[C@]3(CCc4c(c(C5CC5)nc5ccccc45)O3)CN2C1=O ZINC000653743764 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ccc1O[C@@H]1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 ZINC000653743771 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccc(F)c(Cl)c4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653744920 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4cccc(C(F)(F)F)c4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653744950 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5ccccc5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653744980 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4ccc(F)c(F)c4F)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653745004 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)C/C(=C\c3ccc(OCc4cn(-c5cccc(Br)c5)nn4)cc3)C(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653745023 KK Annotated Mild Cc1cc(N(CCC(=O)N2CCN(c3ccccc3)CC2)Cc2ccc(F)cc2)ccc1Br ZINC000653745027 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4cccc(O)c4)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653745039 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@H]1[C@@]2(C)CC/C(=N\OCc3cn(-c4c(Cl)cc([N+](=O)[O-])cc4Cl)nn3)C(C)(C)[C@@H]2CC[C@@]1(C)O ZINC000653745057 KK Annotated Mild CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](F)[C@]23[C@@H]4[C@@H](C)[C@H](C)CC[C@@]4(CC[C@]21C)C(=O)N3C ZINC000653745100 KK Annotated Anodyne COC(=O)CN1C(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2[C@]12[C@H](F)C[C@@H]1[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000653745122 KK 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](CO)[C@H]4NC(=S)Nc1ccc(Cl)cc1Cl ZINC000653745139 KK 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](CO)[C@H]4NC(=S)Nc1c(C)cccc1C ZINC000653745164 KK Annotated Anodyne COC(=O)[C@H](C)N1C(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2[C@]12[C@H](F)C[C@@H]1[C@@]4(C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 ZINC000653745172 KK Annotated Anodyne COc1ccc(/C=C/[C@@](C)(/C=C/c2ccc(O)c(/C=C/C(=O)OCc3ccccc3)c2)CCC=C(C)C)cc1 ZINC000653745815 KK Annotated Anodyne O=C1/C(=N\Nc2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)C(c2ccccc2)=NN1c1nc(-c2ccc(OC(F)(F)F)cc2)cs1 ZINC000653746446 KK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)/C=C/c6ccccc6)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653746646 KK Annotated Reactive C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)C=C3[C@@H](OC(=O)CCC)O[C@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653746687 KK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)c6ccccc6)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653746701 KK Annotated Reactive C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)CCC(=O)O)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653746723 KK Annotated Reactive CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](F)[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@H]42)CC[C@]31C ZINC000653746726 KK Annotated Anodyne COc1cc(/C=C2\COC/C(=C\c3cc(OC)c(OC)c(OC)c3Br)C2=O)c(Br)c(OC)c1OC ZINC000653747411 KK Annotated Mild C[C@H]1[C@H](C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H](F)C[C@@H]2[C@@]5(C)C(C=O)=C[C@@](C)(COC(=O)n6ccnc6)[C@@H]5CC[C@]24C)[C@H]13 ZINC000653747434 KK Annotated Reactive Cc1nc(N[C@H](C)c2cccc(-c3cnc(NCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653747927 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCCN(C)C)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653747928 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)c3ccccc3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653747934 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(C)(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653747940 KK Annotated Anodyne COc1cccc(OC(C)C)c1-c1c(C)sc2c(=NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)[nH]c12 ZINC000653747949 KK Annotated Anodyne CCOc1ccc2nc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccc(O)cc4O)cc3)c(C)cc2c1 ZINC000653747962 KK Annotated Anodyne COc1cccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1 ZINC000653747992 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)c3cccs3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653747996 KK Annotated Anodyne CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2-c1ccc(CCCO)cc1 ZINC000653748001 KK Annotated Bother Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(Cn3ccnc3)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653748739 KK Annotated Anodyne CN(Cc1cccc2ccccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653748743 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)c(O)cc2O)cc1 ZINC000653748749 KK Annotated Anodyne CCOC(=O)c1c(-c2cc(C)cc(C)c2)nc(=O)n(Cc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)c1-c1ccccc1 ZINC000653748851 KK Annotated Mild Oc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)nc3)c3c[nH]c4ccc(O)cc34)c2c1 ZINC000653749324 KK Annotated Anodyne COCC1C[C@@H]2CC[C@H](C1)N2c1nc(N2[C@H]3CC[C@H]2COC3)c2c(-c3ccccc3OC)csc2n1 ZINC000653749336 KK Annotated Anodyne CCN1CCN(c2ccc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000653749351 KK Annotated Anodyne CCC1=C[C@@H]2C[C@](C(=O)OC)(c3c(OC)cc(N)cc3OC)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc(Cl)cc3)(C1)C2 ZINC000653749355 KK Annotated Mild CCC1=C[C@@H]2C[C@](C(=O)OC)(c3c(OC)cc(N)cc3OC)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc4ccccc4c3)(C1)C2 ZINC000653749399 KK Annotated Mild Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(CCN(C)C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653750425 KK Annotated Anodyne CC(C)(C)OC(=O)CNc1cccc(CNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)c1 ZINC000653750426 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CC(C)(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653750432 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CN(C)C(=O)c3ccccc3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653750439 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCN5CCN(C)CC5)(C3=O)[C@@]14O2 ZINC000653751710 KK Annotated Mild CCN(CC)CCCOC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC=C(C)C)c5O[C@]431)C2=O ZINC000653751744 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCN5CCOCC5)(C3=O)[C@@]14O2 ZINC000653751778 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCN5CCN(CCO)CC5)(C3=O)[C@@]14O2 ZINC000653751802 KK Annotated Mild COCCN1CCN(c2ncc(-c3cccc([C@H](C)Nc4cc(-c5ccc6occ(C)c6c5)nc(C)n4)c3)cn2)CC1 ZINC000653752844 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(CCN5CCOCC5)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653752851 KK Annotated Anodyne CC(F)(F)c1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(OS(=O)(=O)C(F)(F)F)cc4o3)nc2s1 ZINC000653752859 KK Annotated Unstable O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(C(F)(F)F)nc3ccccc23)cc1 ZINC000653752867 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)[C@H]3CCCO3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752874 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)[C@@H]3CCCO3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752876 KK Annotated Anodyne N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccccc3Cl)c(C(F)(F)F)sc12)Cc1ccccc1 ZINC000653752881 KK Annotated Anodyne CSc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(OS(=O)(=O)C(F)(F)F)cc4o3)nc2s1 ZINC000653752889 KK Annotated Unstable COc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(C#N)cc4o3)nc2s1 ZINC000653752900 KK Annotated Mild Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(CN(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752901 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCC(F)(F)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752927 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(Cc5nccn5C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653752931 KK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(CN3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653752933 KK Annotated Anodyne CCOc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653752954 KK Annotated Anodyne CSc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(O)cc4o3)nc2s1 ZINC000653752963 KK Annotated Anodyne C#Cc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653752976 KK Annotated Mild Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(CCO)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653752987 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(CCOCCO)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653752989 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(OS(=O)(=O)C(F)(F)F)cc4o3)nc2s1 ZINC000653752992 KK Annotated Unstable C[C@@]1(F)C(=O)N(C[C@@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC2)c2cc(Cl)ccc21 ZINC000653753023 KK Annotated Anodyne CC[C@]1(O)C[C@@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@+](CC(=O)/C=C/c3ccc(Cl)cc3)(C2)C1 ZINC000653753147 KK Annotated Mild CCC1=C[C@@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc(Cl)cc3)(C1)C2 ZINC000653753971 KK Annotated Mild CCC1=C[C@@H]2C[C@](C(=O)OC)(c3c(OC)cc(N)cc3OC)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc(O)c(OC)c3)(C1)C2 ZINC000653754313 KK Annotated Mild CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 ZINC000653754333 KK Annotated Anodyne CCCN(CCC)CCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCN(CCC)CCC)c(OC)c3)C2=O)cc1OC ZINC000653754360 KK Annotated Mild Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccc3ccccc23)C(=O)c2ccc(O)cc2O)cc1 ZINC000653754848 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)c3c(n2)CCSC3)cc1 ZINC000653754883 KK Annotated Anodyne CCNCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 ZINC000653754901 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653754910 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653754938 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653754940 KK Annotated Anodyne COc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)nc3)c3c[nH]c4ccc(OC)cc34)c2c1 ZINC000653755592 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCN5CCOCC5)(C3=O)[C@@]14O2 ZINC000653755622 KK Annotated Mild O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1 ZINC000653755656 KK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(CN3CCOCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653755668 KK Annotated Anodyne Oc1ccc2c(C(c3ccc(C(c4c[nH]c5cc(O)ccc45)c4c[nH]c5cc(O)ccc45)nc3)c3c[nH]c4cc(O)ccc34)c[nH]c2c1 ZINC000653755670 KK Annotated Anodyne O=C(c1cc(Cl)c(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(C(F)(F)F)ccc2C(F)(F)F)cc1 ZINC000653755672 KK Annotated Anodyne CSc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(OC=O)cc4o3)nc2s1 ZINC000653755677 KK Annotated Anodyne CSc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(OC(F)F)cc4o3)nc2s1 ZINC000653755684 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCN5CCN(C)CC5)(C3=O)[C@@]14O2 ZINC000653755689 KK Annotated Mild Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCC(O)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653755691 KK Annotated Anodyne COc1cnc(Cl)nc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653755706 KK Annotated Anodyne c1ccc2oc(CN(CCCCCCN=c3c4c([nH]c5ccccc35)CCC4)Cc3cc4ccccc4o3)cc2c1 ZINC000653755867 KK Annotated Anodyne CCCN(C)CCCCOc1cc2oc3cc(OCCCCN(C)CCC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000653755876 KK Annotated Bother CCN(C)CCCCOc1cc2oc3cc(OCCCCN(C)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000653755935 KK Annotated Bother O=C(Oc1cc2cc(c1)oc1cc(oc3cc(OC(=O)c4cccc5ccccc45)cc(c3)oc3cc(o2)c([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc2ccccc12 ZINC000653755999 KK Annotated Bother Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653756216 KK Annotated Anodyne COc1ccccc1-c1csc2nc(N3[C@H]4CC[C@H]3CC(OC)C4)nc(N3[C@H]4CC[C@H]3CC(OC)C4)c12 ZINC000653756234 KK Annotated Anodyne CCN(CC)CCOC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC=C(C)C)c5O[C@]431)C2=O ZINC000653757061 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCN5CCCCC5)(C3=O)[C@@]14O2 ZINC000653757069 KK Annotated Mild CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCN5CCCCC5)(C3=O)[C@@]14O2 ZINC000653757083 KK Annotated Mild O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCC1c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000653757171 KK Annotated Anodyne CCN(CCO)CCCCOc1cc2oc3cc(OCCCCN(CC)CCO)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000653757177 KK Annotated Bother CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCN5CCN(CCO)CC5)(C3=O)[C@@]14O2 ZINC000653757213 KK Annotated Mild O=C(NCCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)c1coc(-c2ccccc2O)n1 ZINC000653757221 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCC[C@@H]3C(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653757312 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCC[C@H]3C(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653757320 KK Annotated Anodyne Cc1cc(C(=O)N(Cc2ccc(CN3CCCC3)cc2)c2ccc(-c3nc(Cl)ncc3C)cc2)c(O)cc1O ZINC000653757331 KK Annotated Anodyne CSc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc4ccccc4cc3C)cc2)cc1 ZINC000653757336 KK Annotated Anodyne COc1nn2cc(-c3cc4c(F)cc(OCc5cccc(OCc6ccccc6)c5)cc4o3)nc2s1 ZINC000653757346 KK Annotated Anodyne COc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(F)cc4o3)nc2s1 ZINC000653757350 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCCC3)cc2)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653757363 KK Annotated Anodyne CN(Cc1cccc2ncccc12)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653757365 KK Annotated Anodyne CN(Cc1ccc2c(ccn2C)c1)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653757395 KK Annotated Anodyne CCOc1nn2cc(-c3cc4c(OCc5cccc(OCc6ccccc6)c5)cc(OC)cc4o3)nc2s1 ZINC000653757401 KK Annotated Anodyne CCOc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653757421 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=N1 ZINC000653757806 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=N1 ZINC000653757807 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccccn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=N1 ZINC000653757808 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccccn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N2NC=NC2=N1 ZINC000653757809 KK Annotated Anodyne O=c1sc2cc(Nc3ncnc4c3cnn4-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000653757828 KK Annotated Anodyne Cc1ccc(NC(=O)C2=C(C(C)C)N=C3N=CNN3[C@@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)nc1 ZINC000653757875 KK Annotated Anodyne Cc1ccc(NC(=O)C2=C(C(C)C)N=C3N=CNN3[C@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)nc1 ZINC000653757877 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccc(Cl)cc3cc2CO)cc1 ZINC000653758322 KK Annotated Anodyne CCN(CC)CCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCBr)c(OC)c3)C2=O)cc1OC ZINC000653758608 KK Annotated Reactive CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCCN5CCN(C)CC5)(C3=O)[C@@]14O2 ZINC000653758619 KK Annotated Mild Oc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(O)cc45)c4c[nH]c5ccc(O)cc45)n3)c3c[nH]c4ccc(O)cc34)c2c1 ZINC000653758628 KK Annotated Anodyne c1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)nc3)c3c[nH]c4ccccc34)c[nH]c2c1 ZINC000653758630 KK Annotated Anodyne CCOC(=O)c1c(CC)nc(SCc2ccc(C(=O)/C=C(\O)C(=O)OC(C)C)cc2)nc1-c1ccc(F)cc1 ZINC000653758645 KK Annotated Mild Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C(C)C)N=C3N=CNN32)cc1 ZINC000653758662 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)Nc3ccc(Br)cn3)=C(C(C)C)N=C3N=CNN32)cc1 ZINC000653758666 KK Annotated Anodyne Cc1noc([C@H]2C[C@@H]2C(=O)NCc2ccc(-c3cccc(OC(F)(F)F)c3)c3c2CN(C(=O)NC(C)(C)C)CC3)n1 ZINC000653758747 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653760027 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N2NC=NC2=N1 ZINC000653760030 KK Annotated Anodyne COc1cc(OCc2cc(F)cc(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653760503 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cccc(OC)c3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653760508 KK Annotated Anodyne COc1cc(OCc2ccc(C)c(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653760515 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(-c3ccsc3)nc3ccccc23)cc1 ZINC000653760519 KK Annotated Anodyne COc1cc(OCc2ccc(OC)c(OCc3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653760521 KK Annotated Anodyne c1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)nc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1 ZINC000653760609 KK Annotated Anodyne CSc1nn2cc(-c3nc4c(OCc5cccc(OCc6ccccc6)c5)cccc4o3)nc2s1 ZINC000653760669 KK Annotated Anodyne Oc1ccc(-c2cc3cc(I)cc(I)c3o2)c2cccnc12 ZINC000653760688 KK Annotated Anodyne CCC1=C[C@@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc4ccccc4c3)(C1)C2 ZINC000653760952 KK Annotated Mild CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)[C@H]3OC(C)(C)O[C@@H]3C(=C1C)C2(C)C ZINC000653761898 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000653762207 KK Annotated Anodyne COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3c2CCN(C(=O)OC(C)(C)C)C3)c1 ZINC000653762349 KK Annotated Anodyne Brc1ccc2[nH]cc(C(c3cccc(C(c4c[nH]c5ccc(Br)cc45)c4c[nH]c5ccc(Br)cc45)n3)c3c[nH]c4ccc(Br)cc34)c2c1 ZINC000653762362 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CCC3(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762369 KK Annotated Anodyne CN(Cc1cccc2cccnc12)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762377 KK Annotated Anodyne CCN(CC)CCCCOC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c(CC=C(C)C)c5O[C@]431)C2=O ZINC000653762378 KK Annotated Mild Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN3CC(F)(F)C3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762379 KK Annotated Anodyne CN(Cc1cccc2cnccc12)C(=O)c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653762380 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCCN5CCOCC5)(C3=O)[C@@]14O2 ZINC000653762390 KK Annotated Mild COc1cccc(-c2ccc(CNC(=O)[C@@H]3C[C@H]3c3ccccc3)c3c2CCN(C(=O)NC(C)(C)C)C3)c1 ZINC000653762402 KK Annotated Anodyne CO[C@@H]1CCN(Cc2ccc(CN(C(=O)c3ccc(O)cc3O)c3ccc(-c4nc(Cl)ncc4C)cc3)cc2)C1 ZINC000653762403 KK Annotated Anodyne CO[C@H]1CCN(Cc2ccc(CN(C(=O)c3ccc(O)cc3O)c3ccc(-c4nc(Cl)ncc4C)cc3)cc2)C1 ZINC000653762404 KK Annotated Anodyne CCC1=C[C@@H]2C[C@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)c3[nH]c4ccccc4c3CC[N@@+](CC(=O)/C=C/c3ccc(O)c(OC)c3)(C1)C2 ZINC000653762744 KK Annotated Mild COc1cc(OCc2cccc(OCc3cncnc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653763471 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3c(F)ccc(F)c3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653763563 KK Annotated Anodyne Cc1cnc(-c2cccc(F)c2)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653763571 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653763858 KK Annotated Anodyne Cc1nc(N[C@H](C)c2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653763859 KK Annotated Anodyne CCN(CCCCOc1cc2oc3cc(OCCCCN(CC)C(C)C)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C)C(C)C ZINC000653764343 KK Annotated Bother O=[N+]([O-])c1cc([N+](=O)[O-])c2cc1oc1cc(OS(=O)(=O)c3cccc4ccccc34)cc(c1)oc1cc(oc3cc(OS(=O)(=O)c4cccc5ccccc45)cc(c3)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000653764347 KK Annotated Bother COc1cccc2cc(CN(CCCCCCN=c3c4c([nH]c5ccccc35)CCCCC4)Cc3cc4cccc(OC)c4o3)oc12 ZINC000653764355 KK Annotated Anodyne CCCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CCC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000653764361 KK Annotated Bother COc1cccc2cc(CN(CCCCCCN=c3c4c([nH]c5ccccc35)CCCC4)Cc3cc4cccc(OC)c4o3)oc12 ZINC000653764370 KK Annotated Anodyne O=[N+]([O-])c1cc([N+](=O)[O-])c2cc1oc1cc(OS(=O)(=O)c3cccc4cccnc34)cc(c1)oc1cc(oc3cc(OS(=O)(=O)c4cccc5cccnc45)cc(c3)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000653764371 KK Annotated Bother O=C(COc1cc2cc(c1)oc1cc(oc3cc(OCC(=O)Nc4cccc5cccnc45)cc(c3)oc3cc(o2)c([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-])Nc1cccc2cccnc12 ZINC000653764372 KK Annotated Bother COc1cccc2cc(CN(CCCCCCN=c3c4c([nH]c5ccccc35)CCC4)Cc3cc4cccc(OC)c4o3)oc12 ZINC000653764378 KK Annotated Anodyne O=c1sc2cc(Nc3ncnc4c3cnn4-c3ccc(Cl)cc3)ccc2n1Cc1ccc(Cl)cc1Cl ZINC000653764384 KK Annotated Anodyne Brc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(Br)cc45)c4c[nH]c5ccc(Br)cc45)nc3)c3c[nH]c4ccc(Br)cc34)c2c1 ZINC000653764423 KK Annotated Anodyne Cc1cc(NS(=O)(=O)C(C)(C)C)ccc1-c1c(C(N)=O)c2cc(F)c(OC(F)F)cc2n1-c1ccccc1 ZINC000653764424 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCCN5CCCCC5)(C3=O)[C@@]14O2 ZINC000653764431 KK Annotated Mild CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2-c2ccccc2)cc1F ZINC000653764445 KK Annotated Anodyne Clc1ccc2[nH]cc(C(c3ccc(C(c4c[nH]c5ccc(Cl)cc45)c4c[nH]c5ccc(Cl)cc45)nc3)c3c[nH]c4ccc(Cl)cc34)c2c1 ZINC000653764460 KK Annotated Anodyne Cc1cc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2-c2ccccc2)ccc1NS(=O)(=O)C(C)(C)C ZINC000653764479 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCC(F)(F)CC2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653764964 KK Annotated Anodyne O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl ZINC000653764985 KK Annotated Reactive O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl ZINC000653764986 KK Annotated Reactive O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl ZINC000653764987 KK Annotated Reactive O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl ZINC000653764988 KK Annotated Reactive COc1cc(OCc2cccc(OC(=O)c3ccccc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653765503 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(Br)cc3F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653765527 KK Annotated Anodyne CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C(=O)OCCCCN5CCN(CCO)CC5)(C3=O)[C@@]14O2 ZINC000653765558 KK Annotated Mild CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=N1 ZINC000653765622 KK Annotated Anodyne CC(C)C1=C(C(=O)Nc2ccc(Br)cn2)[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N2NC=NC2=N1 ZINC000653765623 KK Annotated Anodyne CCOc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCCC1 ZINC000653766320 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)cc1 ZINC000653766323 KK Annotated Anodyne CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2 ZINC000653766401 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C(=O)Nc3ccccn3)=C(C(C)C)N=C3N=CNN32)cc1 ZINC000653766976 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)Nc3ccccn3)=C(C(C)C)N=C3N=CNN32)cc1 ZINC000653766977 KK Annotated Anodyne CN(Cc1cccc2cccnc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767401 KK Annotated Anodyne Brc1nn2cc(-c3cc4c(OCc5ccccc5)cc(OCc5ccccc5)cc4o3)nc2s1 ZINC000653767431 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3nc2C(F)(F)F)cc1 ZINC000653767432 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(OCc4ccccc4)c(OC)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653767478 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CN[C@@H](C)C(=O)OC3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767482 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767511 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3cc(F)cc(C(F)(F)F)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653767515 KK Annotated Anodyne CN(Cc1ccc2ccccc2n1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653767524 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccc(CN2CCCC2)c1)c1ccc(-c2nc(Cl)nc3[nH]ccc23)cc1 ZINC000653767525 KK Annotated Anodyne Cc1cccc2sc(NC(=O)COc3cc4cc(c3)oc3cc(oc5cc(OCC(=O)Nc6nc7c(C)cccc7s6)cc(c5)oc5cc(o4)c([N+](=O)[O-])cc5[N+](=O)[O-])c([N+](=O)[O-])cc3[N+](=O)[O-])nc12 ZINC000653767599 KK Annotated Bother COc1cc(OCc2cccc(OCc3csc(C)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653767975 KK Annotated Anodyne Cc1cc2ccccc2nc1-c1ccc(N(Cc2cccc(CN3CCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768397 KK Annotated Anodyne Cc1cc(C(=O)N(Cc2ccsc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c(O)cc1O ZINC000653768463 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(c2nc(N3CCC(CN(C)[C@H]4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)C1 ZINC000653768958 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(c2nc(N3CCC(CN(C)[C@H]4CCN(C)C4)CC3)c3c(-c4ccccc4)csc3n2)C1 ZINC000653768959 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768962 KK Annotated Anodyne COc1cc(OCc2cc(OCc3ccccc3)cc(C(F)(F)F)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653768964 KK Annotated Anodyne CCOc1ccc2nc(-c3ccc(N(Cc4ccsc4)C(=O)c4ccc(O)cc4O)cc3)c(C)cc2c1 ZINC000653768967 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CC(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768971 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)c3ccno3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653768976 KK Annotated Anodyne CN(Cc1cccc2ncccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769213 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3C)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653769222 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3Br)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653769224 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769225 KK Annotated Anodyne CN(Cc1cccc2cnccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653769230 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653769231 KK Annotated Anodyne Cc1ncc(C)c(-c2ccc(N(Cc3cccc(CN4CCCC4)c3)C(=O)c3ccc(O)cc3O)cc2)n1 ZINC000653769237 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(OC)c(OC)c3Cl)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653769241 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)N3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653771303 KK Annotated Anodyne CCc1ccc(C(C)(C)c2[nH]c3cc(C#N)ccc3c2C(=O)OC(C)(C)C)cc1-c1cnn(CC(=O)N(C)C)c1 ZINC000653771329 KK Annotated Mild Cc1cc2cc(Cl)ccc2nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653771332 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1ccsc1)c1ccc(-c2nc(C(F)(F)F)nc3ccccc23)cc1 ZINC000653771358 KK Annotated Anodyne COc1ccc(CC/C(O)=C2\C(=O)C(CC=C(C)C)=C3OC(C)(C)C=C[C@]3(CC=C(C)C)C2=O)cc1O ZINC000653771363 KK Annotated Mild COc1ccc(CC/C(O)=C2\C(=O)C(CC=C(C)C)=C3OC(C)(C)C=C[C@@]3(CC=C(C)C)C2=O)cc1O ZINC000653771364 KK Annotated Mild CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCC2)c(F)c1 ZINC000653771385 KK Annotated Anodyne COc1ccc(CCC(=O)C2=C(O)C(CC=C(C)C)=C3OC(C)(C)C=C[C@@]3(CC=C(C)C)C2=O)cc1O ZINC000653771427 KK Annotated Mild COc1ccc(CCC(=O)C2=C(O)C(CC=C(C)C)=C3OC(C)(C)C=C[C@]3(CC=C(C)C)C2=O)cc1O ZINC000653771428 KK Annotated Mild Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccc(CN3CCOCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773164 KK Annotated Anodyne Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccc(CN3CCCCC3)c2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773187 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCOCC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653773196 KK Annotated Anodyne Cc1cc(S(=O)(=O)N2CCCCC2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773209 KK Annotated Anodyne O=C(CCc1cc2ccccc2[nH]1)NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 ZINC000653773210 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653773214 KK Annotated Anodyne COc1cc2cc(Cl)ccc2nc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775391 KK Annotated Anodyne COc1cc(OC[C@H]2CCCN2C(=O)c2ccc(F)cc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653775393 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653775399 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1 ZINC000653775411 KK Annotated Anodyne c1ccc2oc(CN(CCCCCCCN=c3c4c([nH]c5ccccc35)CCC4)Cc3cc4ccccc4o3)cc2c1 ZINC000653775526 KK Annotated Anodyne c1ccc2oc(CN(CCCCCCCN=c3c4c([nH]c5ccccc35)CCCCC4)Cc3cc4ccccc4o3)cc2c1 ZINC000653775535 KK Annotated Anodyne O=C1NC(=O)C(=Cc2ccc(N(CCOCc3ccccc3)CCOC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)N1 ZINC000653775546 KK Annotated Clean c1ccc2oc(CN(CCCCCCCN=c3c4c([nH]c5ccccc35)CCCC4)Cc3cc4ccccc4o3)cc2c1 ZINC000653775552 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3cnc(N4CCN(C)CC4)nc3)c2)cc(-c2ccc3ncsc3c2)n1 ZINC000653775781 KK Annotated Anodyne CN(C)C(=O)c1ccc(N(Cc2csc3ccc(Cl)cc23)C(=O)c2cc(Cl)c(O)cc2O)cc1 ZINC000653775789 KK Annotated Anodyne CC(C)(C)S(=O)(=O)Nc1ccc(-c2c(C(N)=O)c3c(F)cc(C(F)F)cc3n2C2CCCC2)cc1 ZINC000653776578 KK Annotated Anodyne COc1cccc2cc(CN(CCCCCCCN=c3c4c([nH]c5ccccc35)CCCCC4)Cc3cc4cccc(OC)c4o3)oc12 ZINC000653776581 KK Annotated Anodyne O=C(COc1cc2cc(c1)oc1cc(oc3cc(OCC(=O)N(c4ccccc4)c4ccccc4)cc(c3)oc3cc(o2)c([N+](=O)[O-])cc3[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-])N(c1ccccc1)c1ccccc1 ZINC000653777853 KK Annotated Bother Cc1nc(N[C@@H](C)c2cccc(-c3cnc(NCC(C)(C)CO)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653778383 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1 ZINC000653778388 KK Annotated Anodyne Cc1nc(N[C@@H](C)c2cccc(-c3ccc(N4CCN(C)CC4)nc3)c2)cc(-c2ccc3occ(C)c3c2)n1 ZINC000653778393 KK Annotated Anodyne Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C3CCCC3)cc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653778396 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccc(F)cc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1 ZINC000653778398 KK Annotated Anodyne COc1cc(OCc2cccc(OCc3ccccc3)c2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1 ZINC000653778421 KK Annotated Anodyne CN(Cc1ccnc2ccccc12)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653778429 KK Annotated Anodyne O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(Cl)nc3c2CSCC3)cc1 ZINC000653778449 KK Annotated Anodyne Cc1cc(S(=O)(=O)NCc2cccs2)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653778452 KK Annotated Anodyne CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1 ZINC000653778458 KK Annotated Anodyne CCCN(CCC)CCCCOc1cc2oc3cc(OCCCCN(CCC)CCC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000653778466 KK Annotated Bother O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2nc(Cl)c3c(n2)CCSC3)cc1 ZINC000653778471 KK Annotated Anodyne CCN1CCN(CCCCOc2cc3oc4cc(OCCCCN5CCN(CC)CC5)c(OC)c(CC=C(C)C)c4c(=O)c3c(O)c2CC=C(C)C)CC1 ZINC000653779490 KK Annotated Bother O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(N=c3c4ccccc4[nH]c4ccc(Cl)cc34)cc2)cc1 ZINC000653779561 KK Annotated Bother Cc1nnn([C@@H]2C[C@@]34COC[C@](C)([C@H]2OC[C@](C)(N)C(C)C)[C@@H]3CC[C@H]2C4=CC[C@@]3(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]23C)n1 ZINC000653779582 KK Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2cc3sc(CNCc4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653779601 KK Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCC(C(=O)NCc4cccc(Br)c4)CC3)cc3sccc32)cc1 ZINC000653779683 KK Annotated Anodyne Cc1ccc(-c2nn(-c3nc(-c4cc5cc(Br)cc(Br)c5oc4=O)cs3)cc2C=O)cc1 ZINC000653779727 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653780354 KK Annotated Mild COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)C[C@H]2O[C@@]4(C[C@@H](C)[C@@H]2[C@@]1(C)CC3)OC(=O)C(C)=C4C ZINC000653780406 KK Annotated Anodyne COC(=O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)C[C@H]2O[C@]4(C[C@@H](C)[C@@H]2[C@@]1(C)CC3)OC(=O)C(C)=C4C ZINC000653780407 KK Annotated Anodyne Cc1cc(=O)oc2c(-c3nn(-c4ccc(Cl)cc4)cc3C=O)c(O)c(-c3nn(-c4ccc(Cl)cc4)cc3C=O)cc12 ZINC000653780443 KK Annotated Anodyne Cc1cc(=O)oc2c(-c3nn(-c4ccc(F)cc4)cc3C=O)c(O)c(-c3nn(-c4ccc(F)cc4)cc3C=O)cc12 ZINC000653780542 KK Annotated Anodyne CC(=O)Nc1nnn([C@@H]2C[C@@]34COC[C@](C)([C@H]2OC[C@](C)(N)C(C)C)[C@@H]3CC[C@H]2C4=CC[C@@]3(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]23C)n1 ZINC000653780733 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](n4ccc6ccccc64)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653780765 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@@H](OC)C[C@H]1C ZINC000653780769 KK Annotated Mild CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](OC[C@](C)(N)C(C)C)[C@H](n4nnc(N)n4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653780778 KK Annotated Anodyne CN[C@@](C)(CO[C@H]1[C@H](n2nnc(N)n2)C[C@@]23COC[C@@]1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C)C(C)C ZINC000653780780 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](n4ncc6ccccc64)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653780785 KK Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2cc3sc(-c4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653780787 KK Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCCCCNC(=O)c1cccs1 ZINC000653781504 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccc(Br)s1 ZINC000653781517 KK Annotated Mild Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCOc4ccc5c(c4)-c4nc6ccccc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653781580 KK Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1cc2ccccc2[nH]1 ZINC000653781582 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653781586 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653781587 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653781588 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653781589 KK Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCCNC(=O)c1cccs1 ZINC000653781600 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCCCCCNC(=O)c1cccs1 ZINC000653781603 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1cc(Br)cs1 ZINC000653781604 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1cc2ccccc2s1 ZINC000653781620 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653781846 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653781847 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653781848 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653781849 KK Annotated Mild Cc1ccc(C(=O)NCCO/N=C2\C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)c3cc(Br)c(C(C)C)cc32)s1 ZINC000653781853 KK Annotated Mild C[S@@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2I)cc1Cl ZINC000653782479 KK Annotated Anodyne C[S@](=O)c1ccc([C@@H](CC2CCCC2)c2[nH]c3ncccc3c2I)cc1Cl ZINC000653782480 KK Annotated Anodyne C[S@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2I)cc1Cl ZINC000653782481 KK Annotated Anodyne C[S@@](=O)c1ccc([C@H](CC2CCCC2)c2[nH]c3ncccc3c2I)cc1Cl ZINC000653782482 KK Annotated Anodyne CC(C)(C)OC(=O)ON(C(=O)CC/C=C/CCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000653782564 KK Annotated Mild CC1=C(C)[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000653782594 KK Annotated Anodyne CC1=C(C)[C@@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)C5=C(CC[C@]34C)[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC5)O2)OC1=O ZINC000653782595 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCCCOc4ccc5c(c4)-c4nc6ccccc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653782748 KK Annotated Anodyne C=C(C)[C@]12C[C@@H](COC(=O)c3ccccc3)[C@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@@H]3[C@]3(O[C@]6(C)OC3=O)[C@H](O)[C@@]3(COC(=O)CCCCCCCCCCCCCCC)O[C@H]3[C@H]4[C@H]1O5)O2 ZINC000653783596 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc3ccccc3c1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653783680 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc3ccccc3c1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653783682 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc3ccccc3c1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653783686 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc3ccccc3c1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653783689 KK Annotated Mild CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](n4cc6ccccc6n4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653783701 KK Annotated Anodyne Cc1ccc2nc(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3cccc(-c4ccc(F)cc4)c3)[nH]c2c1 ZINC000653783713 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653783752 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653783757 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653783759 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653783762 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653783770 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653783771 KK Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(C)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653783772 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(C)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000653783773 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccc(Cl)s1 ZINC000653783779 KK Annotated Mild O=Cc1cn(-c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)nc1-c1ccc(Cl)cc1 ZINC000653784790 KK Annotated Anodyne CC(=O)n1cc([C@@H]2CC[C@H](c3cn(C(C)=O)c4ccccc34)c3c2n(C(C)=O)c2ccccc32)c2ccccc21 ZINC000653784812 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC[C@](C)([C@H]1OC[C@@](C)(N)C(C)C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C ZINC000653784902 KK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)nc1-c1ccc(Cl)cc1 ZINC000653784914 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC[C@](C)([C@H]1OCCN)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C ZINC000653784921 KK Annotated Anodyne C=CC[N+]1(C)CCN(c2ccc(/C=C/C(=O)/C=C(O)/C=C/c3ccc(N4CC[N+](C)(CC=C)CC4)cc3)cc2)CC1 ZINC000653784988 KK Annotated Mild Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)-c4nc6cc(F)ccc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653785873 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653785877 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653785878 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653785879 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653785880 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653785881 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653785882 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653785883 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653785884 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653785886 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653785887 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@H]12 ZINC000653785888 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(C)[C@@H]12 ZINC000653785889 KK Annotated Anodyne CC(=O)n1cc([C@H]2CCC[C@@H](c3cn(C(=O)O)c4ccccc34)c3[nH]c4ccccc4c32)c2ccccc21 ZINC000653785980 KK Annotated Anodyne O=Cc1cn(-c2nc(-c3cc4cc(Br)cc(Br)c4oc3=O)cs2)nc1-c1ccccc1 ZINC000653786055 KK Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2c(CNCc3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786081 KK Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2c(CN[C@H](C)c3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786099 KK Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2c(CN[C@@H](C)c3ccccc3)c3sccc3n2Cc2ccc(OC)cc2)CC1 ZINC000653786100 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)-c4nc6ccc(F)cc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653786520 KK Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)C1CC1 ZINC000653786566 KK Annotated Mild COC(=O)/C(=C\c1ccccc1)C[N+]1(C)CCN(c2ccc(/C=C/C(=O)/C=C(O)/C=C/c3ccc(N4CC[N+](C)(C/C(=C/c5ccccc5)C(=O)OC)CC4)cc3)cc2)CC1 ZINC000653786662 KK Annotated Mild C=C(C[N+]1(C)CCN(c2ccc(/C=C/C(=O)/C=C(O)/C=C/c3ccc(N4CC[N+](C)(CC(=C)C(=O)OCCCCCC)CC4)cc3)cc2)CC1)C(=O)OCCCCCC ZINC000653786678 KK Annotated Mild C=C(C[N+]1(C)CCN(c2ccc(/C=C/C(=O)/C=C(O)/C=C/c3ccc(N4CC[N+](C)(CC(=C)C(=O)OCCCC)CC4)cc3)cc2)CC1)C(=O)OCCCC ZINC000653786699 KK Annotated Mild O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CCCC1 ZINC000653787430 KK Annotated Anodyne O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1C1CCCCC1 ZINC000653787435 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCC(=O)Nc1cc2c(cc1F)c(=O)c(C(=O)OCC)cn2CC ZINC000653787448 KK Annotated Mild O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc23)CC1 ZINC000653787734 KK Annotated Bother CCN[C@@](C)(CO[C@H]1[C@H](n2nnc(N)n2)C[C@@]23COC[C@@]1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C)C(C)C ZINC000653787740 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](OC[C@@](C)(C(C)C)N(C)C)[C@H](n4nnc(N)n4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653787760 KK Annotated Anodyne Clc1ccc2c([C@@H]3CC[C@@H](c4c[nH]c5cc(Cl)ccc45)c4c3[nH]c3cc(Cl)ccc43)c[nH]c2c1 ZINC000653787989 KK Annotated Anodyne Clc1ccc2[nH]cc([C@@H]3CC[C@@H](c4c[nH]c5ccc(Cl)cc45)c4c3[nH]c3ccc(Cl)cc43)c2c1 ZINC000653788010 KK Annotated Anodyne CCCN[C@@](C)(CO[C@H]1[C@H](n2nnc(N)n2)C[C@@]23COC[C@@]1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C)C(C)C ZINC000653790191 KK Annotated Anodyne CCCCN[C@@](C)(CO[C@H]1[C@H](n2nnc(N)n2)C[C@@]23COC[C@@]1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C)C(C)C ZINC000653790214 KK Annotated Anodyne N=c1sc(-c2ccc(Cl)cc2)nn1CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000653790232 KK Annotated Anodyne CCCC[C@@H](C)CCC/C=C\CCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C2)c(Br)c1 ZINC000653790363 KK Annotated Anodyne CCCC[C@H](C)CCC/C=C\CCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C2)c(Br)c1 ZINC000653790366 KK Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(NC3CCCCC3)n2)C(F)(F)F)n1 ZINC000653790376 KK Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)nc(NC3CCCCC3)n2)C(F)(F)F)n1 ZINC000653790380 KK Annotated Anodyne O=c1c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4[nH]ccc4c3)nc2n1CC1CCCC1 ZINC000653790421 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653790470 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653790473 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653790476 KK Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653790477 KK Annotated Mild Cc1cc(C)c(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(Oc3ccccc3)cc2)c(C)c1 ZINC000653790481 KK Annotated Reactive CCCCCC[C@H](C)CCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C2)c(Br)c1 ZINC000653790494 KK Annotated Anodyne CCCCCC[C@@H](C)CCCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C2)c(Br)c1 ZINC000653790495 KK Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@H](C(=O)O)C4)nc(Oc3ccccc3)n2)C(F)(F)F)n1 ZINC000653790499 KK Annotated Anodyne Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CN[C@@H](C(=O)O)C4)nc(Oc3ccccc3)n2)C(F)(F)F)n1 ZINC000653790500 KK Annotated Anodyne CCCCCC[C@@H](C)CCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C2)c(Br)c1 ZINC000653790526 KK Annotated Anodyne CCCCCC[C@H](C)CCCCCCCC(=O)NCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(C=C(Br)C(OC)=C(Br)[C@H]3O)C2)c(Br)c1 ZINC000653790527 KK Annotated Anodyne Clc1ccc2c([C@@H]3CCC[C@@H](c4c[nH]c5cc(Cl)ccc45)c4c3[nH]c3cc(Cl)ccc43)c[nH]c2c1 ZINC000653790952 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccc(Cl)cc2Cl)cc1)N(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000653791389 KK Annotated Anodyne C[C@H](c1ccc(-c2ccc(Cl)cc2Cl)cc1)N(CC(=O)O)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000653791390 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653791412 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653791413 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653791414 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1Cc1ccc2ccccc2c1 ZINC000653791415 KK Annotated Anodyne COC(=O)[C@@]1(C)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C ZINC000653791845 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653791895 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653791902 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653791904 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653791908 KK Annotated Mild C[C@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791914 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791920 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791921 KK Annotated Mild C[C@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc5ccccc5c4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791922 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791939 KK Annotated Mild C[C@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791940 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791942 KK Annotated Mild C[C@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccccc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791943 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791988 KK Annotated Mild C[C@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791991 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791994 KK Annotated Mild C[C@]12CCN(C(=O)Cn3c[n+](CC(=O)c4ccc(Br)cc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653791995 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792002 KK Annotated Anodyne C[C@]12CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792003 KK Annotated Anodyne C[C@@]12CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792004 KK Annotated Anodyne C[C@]12CCN(C(=O)Cn3c[n+](Cc4ccccc4Br)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653792005 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653792849 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653792850 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653792851 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccccc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653792852 KK Annotated Mild COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653792926 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[Si](C)(C)C[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@H](C)O)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653792928 KK Annotated Anodyne COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653792955 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653792958 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653792959 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653792961 KK Annotated Mild O=C(O)CN(c1cccc(-c2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1 ZINC000653792976 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653792977 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653792979 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653792980 KK Annotated Mild Cc1cc2c(cc1C)[n+](CC(=O)c1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653792982 KK Annotated Mild COc1ccc(-c2nn(CC(=O)N3c4ccccc4Sc4ccc(C(F)(F)F)cc43)c(=N)s2)cc1OC ZINC000653793199 KK Annotated Anodyne C=C(C)[C@]12C[C@@H](COC(=O)c3ccccc3)[C@@]34O[C@@]5(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@@H](O)[C@]1(O)[C@@H](OC(=O)c3ccccc3)[C@@H](C)[C@H]([C@H](C)C[C@@H](OC(=O)c3ccccc3)CCCC[C@H]5O)[C@H]14)O2 ZINC000653793286 KK Annotated Mild CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(=O)Cn6ccc(=[N+](C)C)cc6)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1)c1ccccc1 ZINC000653793315 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)-c4nc6cc(Br)c(Br)cc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653793671 KK Annotated Anodyne COc1cc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(Br)cc3)n2)ccc1OC(C)=O ZINC000653793687 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)-c4nc6cc(Cl)c(Cl)cc6nc4[C@@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653793707 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653793819 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653793820 KK Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653793821 KK Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccccc1 ZINC000653793822 KK Annotated Mild COc1ccc(C(=O)C[n+]2c(C)n(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653793829 KK Annotated Mild COc1ccc(C(=O)C[n+]2c(C)n(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653793840 KK Annotated Mild COc1ccc(C(=O)C[n+]2c(C)n(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653793841 KK Annotated Mild COc1ccc(C(=O)C[n+]2c(C)n(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653793844 KK Annotated Mild C=C(C)[C@]12C[C@@H](COC(=O)c3ccccc3)[C@]34O[C@@]5(CCCCCCC[C@H](C)[C@@H]6[C@@H]3[C@]3(O[C@]6(C)OC3=O)[C@H](O)[C@@]3(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O[C@H]3[C@H]4[C@H]1O5)O2 ZINC000653793895 KK Annotated Mild C[C@@]12CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793901 KK Annotated Anodyne C[C@]12CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793902 KK Annotated Anodyne C[C@@]12CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793905 KK Annotated Anodyne C[C@]12CCN(C(=O)Cn3c[n+](Cc4ccc(Br)cc4)c4ccccc43)[C@H]1N(Cc1ccccc1)c1ccccc12 ZINC000653793907 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653793909 KK Annotated Mild Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653793911 KK Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653793914 KK Annotated Mild Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1CC(=O)c1ccc(Br)cc1 ZINC000653793916 KK Annotated Mild Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653793998 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653793999 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653794000 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653794001 KK Annotated Anodyne CSCC[C@H](NC(=O)c1sc(NCc2cncn2Cc2ccc(C#N)cc2)c(C#N)c1-c1ccc(Cl)cc1)C(=O)O ZINC000653794425 KK Annotated Mild Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653794477 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653794478 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653794479 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc(Br)cc1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653794480 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)OCCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(Br)cc3)n2)cc1OC(C)=O ZINC000653794509 KK Annotated Anodyne CN1CCN(CCCOc2ccc(N3C(=O)/C(=C/c4ccc(Oc5ccc(NS(C)(=O)=O)cc5)cc4)SC3=S)cc2)CC1 ZINC000653794514 KK Annotated Clean CC(=O)Oc1ccc(/C=C/C(=O)OCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(C(F)(F)F)cc3)n2)cc1OC(C)=O ZINC000653794516 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794524 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794525 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794526 KK Annotated Anodyne Cc1ccc(C[n+]2cn(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3cc(C)c(C)cc32)cc1 ZINC000653794527 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653794536 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653794537 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653794538 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccccc1Br)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653794539 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1Cc1ccc(Br)cc1 ZINC000653795064 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1Cc1ccc(Br)cc1 ZINC000653795067 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1Cc1ccc(Br)cc1 ZINC000653795068 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1Cc1ccc(Br)cc1 ZINC000653795071 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653795169 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653795170 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@@]3(C)c4ccccc4N(Cc4ccccc4)[C@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653795171 KK Annotated Anodyne Cc1n(CC(=O)N2CC[C@]3(C)c4ccccc4N(Cc4ccccc4)[C@@H]23)c2ccccc2[n+]1Cc1ccccc1Br ZINC000653795172 KK Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653795187 KK Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653795188 KK Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@@H]34)c3ccccc32)cc1 ZINC000653795189 KK Annotated Anodyne Cc1ccc(C[n+]2c(C)n(CC(=O)N3CC[C@@]4(C)c5ccccc5N(Cc5ccccc5)[C@H]34)c3ccccc32)cc1 ZINC000653795190 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32CC[C@H]1C ZINC000653795322 KK Annotated Mild COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3sc(CN[C@H](C)c4ccccc4)cc32)cc1 ZINC000653795332 KK Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)cc3sc(CN[C@@H](C)c4ccccc4)cc32)cc1 ZINC000653795333 KK Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)c(CN[C@H](C)c3ccccc3)c3sccc32)cc1 ZINC000653796429 KK Annotated Anodyne COc1ccc(Cn2c(C(=O)N3CCN(Cc4ccccc4)CC3)c(CN[C@@H](C)c3ccccc3)c3sccc32)cc1 ZINC000653796430 KK Annotated Anodyne C[C@@](O)(c1cccc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4ccccc4Cl)sc23)c1)C(F)(F)F ZINC000653797772 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](Oc4ccccc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653798057 KK Annotated Anodyne COc1ccc([C@@H]2C[C@@]34COC[C@](C)([C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3CC[C@H]2C4=CC[C@@]3(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]23C)cc1 ZINC000653798113 KK Annotated Anodyne COC(=O)[C@@]1(C)C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C ZINC000653798212 KK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)NCCCSc2nc(-c3ccc(S(C)(=O)=O)cc3)n(-c3ccc(Br)cc3)n2)cc1OC(C)=O ZINC000653798225 KK Annotated Anodyne C[C@](O)(c1cccc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4ccccc4Cl)sc23)c1)C(F)(F)F ZINC000653798228 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCOc4ccc5c(c4)-c4nc6ccccc6nc4[C@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653798242 KK Annotated Anodyne Cc1cn([C@H]2C[C@H](n3cc(CNC(=O)CCCCCCCOc4ccc5c(c4)-c4nc6ccccc6nc4[C@H]4C(C)(C)CCC[C@]54C)nn3)[C@@H](CO)O2)c(=O)nc1O ZINC000653798243 KK Annotated Anodyne Cc1nnnn1[C@@H]1C[C@@]23COC[C@](C)([C@H]1OC[C@](C)(N)C(C)C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C ZINC000653798383 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@]4(C)[C@@H](OC[C@](C)(N)C(C)C)[C@H](n4[nH]nnc4=N)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000653798420 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@]23COC[C@](C)([C@H]1OC[C@](C)(N)C(C)C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C ZINC000653798473 KK Annotated Anodyne CC(=O)Nc1nnnn1[C@@H]1C[C@@]23COC[C@](C)([C@H]1OC[C@](C)(N)C(C)C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C ZINC000653798486 KK Annotated Anodyne COC(=O)[C@H](CCSC)NC(=O)c1sc(N(Cc2cncn2Cc2ccc(C#N)cc2)C(=O)OC(C)(C)C)c(C#N)c1-c1ccc(Cl)cc1 ZINC000653799340 KK Annotated Mild O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799390 KK Annotated Anodyne O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799391 KK Annotated Anodyne O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799393 KK Annotated Anodyne O=C(O)c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799396 KK Annotated Anodyne Cc1ccc(NC(=O)c2cc(N3C(=O)c4ccc(Br)cc4C3=O)ccc2N2CCCCC2)cc1 ZINC000653799581 KK Annotated Anodyne CS(=O)(=O)c1ccc(-c2nc(SCCCOC(=O)/C=C/c3ccc(O)c(O)c3)nn2-c2ccc(Br)cc2)cc1 ZINC000653799582 KK Annotated Clean CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccccc1 ZINC000653799587 KK Annotated Mild COc1ccc(C(=O)N2N=C(c3cccc(Cl)c3F)C[C@@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653801265 KK Annotated Anodyne COc1ccc(C(=O)N2N=C(c3cccc(Cl)c3F)C[C@]2(O)c2ccc(Cl)cc2Cl)cc1F ZINC000653801268 KK Annotated Anodyne COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OC(C)=O)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653801353 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3sc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)cc3c2[nH]1)C(C)C ZINC000653801610 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3cc(-c4ccc(-c5cnc([C@@H]6C[Si](C)(C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)s4)ccc32)[nH]1)C(C)C ZINC000653801613 KK Annotated Anodyne CS(=O)(=O)c1ccc(-c2nc(SCCCOC(=O)/C=C/c3ccccc3)nn2-c2ccc(Br)cc2)cc1 ZINC000653801636 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653802012 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653802013 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@]2(C)c3ccccc3N(Cc3ccccc3)[C@@H]12 ZINC000653802014 KK Annotated Anodyne Cc1cc2c(cc1C)[n+](Cc1ccc3ccccc3c1)cn2CC(=O)N1CC[C@@]2(C)c3ccccc3N(Cc3ccccc3)[C@H]12 ZINC000653802015 KK Annotated Anodyne CC(C)CN(CC(C)C)c1ccc([C@@H](CC(=O)O)C(F)(F)F)cc1NC(=O)Nc1ccc(F)cc1F ZINC000653802038 KK Annotated Anodyne CC(C)CN(CC(C)C)c1ccc([C@H](CC(=O)O)C(F)(F)F)cc1NC(=O)Nc1ccc(F)cc1F ZINC000653802039 KK Annotated Anodyne O=C1O[C@@H](CN2CCC(c3ccc(F)cc3)CC2)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 ZINC000653802193 KK Annotated Anodyne O=C(c1coc2ccccc2c1=O)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)CC1 ZINC000653802212 KK Annotated Anodyne CC(C)(C)OC(=O)ON(C(=O)CCCCCCC(=O)N(OC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000653802224 KK Annotated Mild CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CC/C=C/CCC(=O)Nc1ccccc1NC(=O)OC(C)(C)C ZINC000653802227 KK Annotated Anodyne O=C(c1coc2ccccc2c1=O)N1CCN(Cc2cn(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc23)CC1 ZINC000653802228 KK Annotated Bother C=CCc1ccc(O)c(-c2ccc(O[C@@H]3CCc4cc(CC=C)cc(-c5cc(CC=C)ccc5O)c4O3)cc2O)c1 ZINC000653803284 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc4c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@H]2c3c(O)cc(O)cc3[C@@H](c3ccc(O)cc3)[C@H]42)cc1 ZINC000653803289 KK Annotated Anodyne C=CCc1ccc(O)c(-c2cc(O[C@H]3CCc4cc(CC=C)cc(-c5cc(CC=C)ccc5O)c4O3)ccc2O)c1 ZINC000653803328 KK Annotated Mild COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OS(=O)(=O)O)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653803580 KK Annotated Anodyne COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OC(=O)c4cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c4)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653803615 KK Annotated Anodyne Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(-c4cccs4)n3)ccc2n1Cc1ccccc1 ZINC000653803678 KK Annotated Anodyne O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCCc1ccnc(SCc2nc3ccccc3s2)n1 ZINC000653803732 KK Annotated Anodyne CCCC(CCC)Oc1c(Br)cc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Nc1ccccc1F ZINC000653803736 KK Annotated Anodyne COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OC(=O)c4cc(O)c(O)c(O)c4)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653803780 KK Annotated Clean COc1cc2c(c3c1CC[C@@H](c1ccccc1)O3)[C@H]1c3c(cc(OC(=O)c4ccccc4)c(C)c3OC)O[C@@](c3ccccc3)(O2)[C@@H]1O ZINC000653803786 KK Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(NC(=O)c4ccccc4C)cc3s2)CC1 ZINC000653805043 KK Annotated Anodyne CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(NC(=O)c4ccccc4C)cc3s2)CC1 ZINC000653805044 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c(C(=O)O)c2cc1-c1ccc2c(C(C)C)c(O)c(O)c(C(=O)O)c2c1 ZINC000653806060 KK Annotated Clean COc1ccc(C(=O)NCCO/N=C2\C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)c3cc(Br)c(C(C)C)cc32)cc1 ZINC000653806223 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccccc1F ZINC000653806229 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000653806271 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)cc(/C=C/c4ccc(O)c([C@H]5c6cccc7c6[C@H](c6cc(O)cc(O)c6[C@@H]5c5ccc(O)cc5)[C@@H](c5ccc(O)cc5)O7)c4)c3[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000653806280 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nc(-c2ccccc2)nc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@H]3CCN2C[C@H]3CC)c1-c1ccccc1)c1ccnc2ccc(OC)cc12 ZINC000653806326 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nc(-c2ccccc2)nc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@H]3CCN2C[C@@H]3CC)c1-c1ccccc1)c1ccnc2ccc(OC)cc12 ZINC000653806335 KK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nc(-c2ccccc2)nc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@H]3CCN2C[C@@H]3CC)c1-c1ccccc1)c1ccnc2ccc(OC)cc12 ZINC000653806338 KK Annotated Anodyne CCc1ccc(C(=O)NCCO/N=C2\C[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)c3cc(Br)c(C(C)C)cc32)cc1 ZINC000653806378 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccc(O)cc2)ccc1O ZINC000653807505 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccc(O)cc2)ccc1O ZINC000653807512 KK Annotated Mild CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(-c4ccccc4)cc3s2)CC1 ZINC000653807536 KK Annotated Anodyne CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(-c4ccccc4)cc3s2)CC1 ZINC000653807537 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@@H]1c1ccccn1 ZINC000653808060 KK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@@H]1c1ccccn1 ZINC000653808062 KK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@H]1c1ccccn1 ZINC000653808063 KK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@H]1c1ccccn1 ZINC000653808064 KK Annotated Mild N=c1sc(-c2ccc(F)cc2)nn1CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000653808115 KK Annotated Anodyne CC(C)(C)Oc1ccc(OC2CCN(c3ccc(OC[C@@]4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)cc1 ZINC000653808129 KK Annotated Clean CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(Br)cc2)N(c2ccccc2)[C@@H]1c1cccs1 ZINC000653808142 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(Br)cc2)N(c2ccccc2)[C@@H]1c1cccs1 ZINC000653808143 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(Br)cc2)N(c2ccccc2)[C@H]1c1cccs1 ZINC000653808144 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(Br)cc2)N(c2ccccc2)[C@H]1c1cccs1 ZINC000653808145 KK Annotated Anodyne COc1ccc(N/N=C(\C)c2cc3c(C)cc(=O)oc3c(/C(C)=N/Nc3ccc(OC)cc3)c2O)cc1 ZINC000653808298 KK Annotated Mild CC(C)C(=O)NCCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Br)c(C(C)C)cc21 ZINC000653808324 KK Annotated Mild C/C(=N\Nc1ccc(Cl)cc1)c1cc2c(C)cc(=O)oc2c(/C(C)=N/Nc2ccc(Cl)cc2)c1O ZINC000653808401 KK Annotated Mild CC[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](Oc1ccc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@@H]2C[C@H]3CCN2C[C@H]3CC)c2c1C(=O)c1ccccc1C2=O)c1ccnc2ccc(OC)cc12 ZINC000653808722 KK Annotated Clean CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccccc1C(F)(F)F ZINC000653808730 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccccc2)ccc1O ZINC000653808739 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccccc2)ccc1O ZINC000653808740 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccccc2O)ccc1O ZINC000653808761 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccccc2O)ccc1O ZINC000653808762 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000653808763 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000653808764 KK Annotated Mild CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12 ZINC000653808780 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@H]3CCN2C[C@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12 ZINC000653808781 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12 ZINC000653808782 KK Annotated Anodyne Cc1cccc(-n2cc(C=O)c(-c3cc4c(C)cc(=O)oc4c(-c4nn(-c5cccc(C)c5)cc4C=O)c3O)n2)c1 ZINC000653810010 KK Annotated Anodyne COc1ccc(-n2cc(C=O)c(-c3cc4c(C)cc(=O)oc4c(-c4nn(-c5ccc(OC)cc5)cc4C=O)c3O)n2)cc1 ZINC000653810018 KK Annotated Anodyne CC(C)(C)[Si](C)(C)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@]12CC[C@@]3(C)CO[Si](C)(C)C(C)(C)C ZINC000653810041 KK Annotated Reactive COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccc(C)cc2)ccc1O ZINC000653810051 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccc(C)cc2)ccc1O ZINC000653810054 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccc(Cl)cc2Cl)ccc1O ZINC000653810070 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccc(Cl)cc2Cl)ccc1O ZINC000653810074 KK Annotated Mild Cc1ccc(-n2cc(C=O)c(-c3cc4c(C)cc(=O)oc4c(-c4nn(-c5ccc(C)cc5)cc4C=O)c3O)n2)cc1 ZINC000653810078 KK Annotated Anodyne CCCCCC(=O)NCCO/N=C1\C[C@@H]2[C@](C)(CCC[C@@]2(C)C(=O)O)c2cc(Br)c(C(C)C)cc21 ZINC000653810104 KK Annotated Mild Cc1cc(=O)oc2c(-c3nn(-c4ccccc4)cc3C=O)c(O)c(-c3nn(-c4ccccc4)cc3C=O)cc12 ZINC000653810128 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@H](c2ccc(F)cc2)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000653810887 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@H](c2ccc(F)cc2)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000653810888 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@H](c2ccc(F)cc2)N(c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000653810889 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@H](c2ccc(F)cc2)N(c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000653810890 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@H](c2ccccc2)N(c2ccc(C)cc2)[C@H]1c1ccccn1 ZINC000653810925 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@H](c2ccccc2)N(c2ccc(C)cc2)[C@H]1c1ccccn1 ZINC000653810928 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@H](c2ccccc2)N(c2ccc(C)cc2)[C@@H]1c1ccccn1 ZINC000653810930 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@H](c2ccccc2)N(c2ccc(C)cc2)[C@@H]1c1ccccn1 ZINC000653810932 KK Annotated Anodyne COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000653810969 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000653810971 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000653811021 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)C=C3Sc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000653811023 KK Annotated Mild C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CCC)C[C@@H]12)[C@H](OC)O[C@H]3OC ZINC000653811111 KK Annotated Mild CCCNC(=O)C1CCN(C(=O)c2cc3sc(CN[C@H](C)c4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653811118 KK Annotated Anodyne CCCNC(=O)C1CCN(C(=O)c2cc3sc(CN[C@@H](C)c4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653811119 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](O)[C@@]23C(=C[C@H](OC(=O)CC(C)C)C[C@@H]12)[C@H](OC)O[C@H]3OC(C)=O ZINC000653811123 KK Annotated Mild CCCNC(=O)C1CCN(C(=O)c2cc3sc(C(=O)c4ccccc4)cc3n2Cc2ccc(OC)cc2)CC1 ZINC000653811144 KK Annotated Anodyne CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000653812715 KK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@@H]1c1cccnc1 ZINC000653812718 KK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@H]1c1cccnc1 ZINC000653812721 KK Annotated Mild CCOC(=O)C1=C(Nc2ccccc2)C[C@H](c2ccc(C#N)cc2)N(c2ccccc2)[C@H]1c1cccnc1 ZINC000653812723 KK Annotated Mild Cc1c(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)ccc2c(=O)c3ccc(OCC(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3oc12 ZINC000653813330 KK Annotated Bother Cc1c(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc2c(=O)c3ccc(OCC(=O)N4C[C@@H](C)C[C@@H](C)C4)cc3oc12 ZINC000653813335 KK Annotated Bother Cc1c(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc2c(=O)c3ccc(OCC(=O)N4C[C@@H](C)C[C@H](C)C4)cc3oc12 ZINC000653813336 KK Annotated Bother Cc1c(OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc2c(=O)c3ccc(OCC(=O)N4C[C@H](C)C[C@@H](C)C4)cc3oc12 ZINC000653813338 KK Annotated Bother CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653813419 KK Annotated Clean CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653813427 KK Annotated Clean COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CCC(=O)O)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653816436 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CCC(=O)O)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653816442 KK Annotated Anodyne CC1(C)C(=O)N(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(=S)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653816450 KK Annotated Mild COC(=O)CC[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653816490 KK Annotated Anodyne COC(=O)CC[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653816491 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3ccccc3Cl)c(OC)c2)cc1OC ZINC000653816957 KK Annotated Anodyne O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(Cc3ccc(Cl)cc3)CCCC2)c2cc(Cl)ccc21 ZINC000653816966 KK Annotated Bother O=C1C[C@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(Cc3ccc(Cl)cc3)CCCC2)c2cc(Cl)ccc21 ZINC000653816967 KK Annotated Bother O=C1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(Cc3ccc(Cl)cc3)CCCC2)c2cc(Cl)ccc21 ZINC000653816968 KK Annotated Bother O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(Cc3ccc(Cl)cc3)CCCC2)c2cc(Cl)ccc21 ZINC000653816969 KK Annotated Bother C/C=C1/c2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2Oc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc21 ZINC000653816973 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)N(C)c3cccc(Cl)c3)c(OC)c2)cc1OC ZINC000653816975 KK Annotated Anodyne O=C1C[C@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(Cc3ccc(Cl)cc3Cl)CCCC2)c2cc(Cl)ccc21 ZINC000653817020 KK Annotated Bother O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(Cc3ccc(Cl)cc3Cl)CCCC2)c2cc(Cl)ccc21 ZINC000653817021 KK Annotated Bother O=C1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C[N+]2(Cc3ccc(Cl)cc3Cl)CCCC2)c2cc(Cl)ccc21 ZINC000653817022 KK Annotated Bother O=C1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2C[N+]2(Cc3ccc(Cl)cc3Cl)CCCC2)c2cc(Cl)ccc21 ZINC000653817023 KK Annotated Bother COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cccc(Cl)c3)c(OC)c2)cc1OC ZINC000653817030 KK Annotated Anodyne COC(=O)COc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@@H](C/C=C(\C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OCC(=O)O ZINC000653817106 KK Annotated Mild COC(=O)COc1cc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@@H](C/C=C(\C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)ccc1OCC(=O)O ZINC000653817112 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2CC2(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817128 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2CC2(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817129 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H]([C@H]2CC2(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817130 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H]([C@@H]2CC2(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817131 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@@H]2C(=O)N(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817138 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@H]2C(=O)N(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817139 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@@H]2C(=O)N(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817140 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@H]2C(=O)N(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817141 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(CNCCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000653817142 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@@H]2c2ccccc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817154 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H]([C@H]2C[C@@H]2c2ccccc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653817155 KK Annotated Anodyne CCC[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653817159 KK Annotated Anodyne CCC[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653817160 KK Annotated Anodyne CCCCCC[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653817171 KK Annotated Anodyne CCCCCC[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653817172 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cccc(Cl)c3C)c(OC)c2)cc1OC ZINC000653818540 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC ZINC000653818599 KK Annotated Anodyne CCCC/C=C1/c2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2Oc2ccc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc21 ZINC000653818647 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N1CCC[C@H]1C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653818656 KK Annotated Mild COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cccc(F)c3)c(OC)c2)cc1OC ZINC000653819571 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CC2CCCCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819574 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CC2CCCCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819575 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@@H]2C(=O)O)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819629 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@@H]2C(=O)O)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819633 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@H]2C(=O)O)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819635 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@H]2C(=O)O)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819636 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H]([C@H]2CC24CCCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819659 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2CC24CCCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819660 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2CC24CCCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819661 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@@H]([C@@H]2CC24CCCC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819662 KK Annotated Anodyne COC[C@@H]1C[C@@H]1[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653819663 KK Annotated Anodyne COC[C@@H]1C[C@H]1[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653819664 KK Annotated Anodyne COC[C@@H]1C[C@H]1[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653819665 KK Annotated Anodyne COC[C@@H]1C[C@@H]1[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653819666 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CC2CC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819668 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CC2CC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819669 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653819681 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]45)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653819682 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC(=O)CCCC[C@@H]4SC[C@H]5NC(=O)N[C@H]54)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653819683 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC(=O)CCCC[C@@H]4SC[C@H]5NC(=O)N[C@@H]54)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653819684 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CC(C)(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819686 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CC(C)(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819687 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC ZINC000653819697 KK Annotated Anodyne C[C@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653819828 KK Annotated Mild C[C@@](O)(CSc1cccc(OC(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653819829 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CC(F)(F)F)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819848 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CC(F)(F)F)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653819849 KK Annotated Anodyne CC(C)(C)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4cc(Cl)ccc4C(=O)O)o3)C2=O)cc1 ZINC000653820998 KK Annotated Clean CNC(=O)c1ccc2c(c1)nc(-c1ccccc1SC)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653821015 KK Annotated Anodyne COc1ccc(-c2nc3ccccc3c(=O)n2C/C=C/c2ccc(-c3cnc4ccccc4n3)cc2)c(OC)c1 ZINC000653821024 KK Annotated Anodyne CC(C)c1ccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4cc(Cl)ccc4C(=O)O)o3)C2=O)cc1 ZINC000653821103 KK Annotated Clean O=C(NCc1ccc(C(F)(F)F)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653821630 KK Annotated Anodyne O=C(NCc1ccc(Oc2ccccc2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653821648 KK Annotated Anodyne O=C1c2cc(Br)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Br)cc1F ZINC000653821671 KK Annotated Bother O=C(NCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653821693 KK Annotated Clean COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)C=Nc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2O3)[nH]1)C(C)C ZINC000653821698 KK Annotated Anodyne O=C(NCc1ccc(N2CCSCC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653821700 KK Annotated Clean O=C(NCc1ccc(N2CCC(Cc3ccccc3)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653821707 KK Annotated Clean O=c1c2ccccc2nc(-c2ccc(C(F)(F)F)cc2)n1C/C=C/c1ccc(-c2cnc3ccccc3n2)cc1 ZINC000653821718 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)C=Nc2cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc2O3)[nH]1)C(C)C ZINC000653821722 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(CNCCCN3CCCC3=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000653822604 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@H]2C#N)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822608 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@@H]2C#N)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822609 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@H]2C#N)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822610 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@@H]2C#N)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822611 KK Annotated Mild C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(N(C)C(=O)CN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822620 KK Annotated Anodyne C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(N(C)C(=O)CN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822621 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CC2CCCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822649 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CC2CCCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822650 KK Annotated Anodyne C[C@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000653822651 KK Annotated Mild C[C@@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000653822652 KK Annotated Mild C[C@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000653822660 KK Annotated Mild C[C@@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000653822661 KK Annotated Mild C[C@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000653822667 KK Annotated Mild C[C@@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000653822668 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@H]2C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822680 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@@H]2C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822681 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@H]2C[C@@H]2C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822682 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2cc(F)c3c(c2)O[C@H]([C@@H]2C[C@H]2C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653822683 KK Annotated Anodyne C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(NCCN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822684 KK Annotated Anodyne C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(NCCN(C)C)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653822685 KK Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653822690 KK Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653822691 KK Annotated Anodyne CNC(=O)[C@@H]1C[C@@H]1[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653822692 KK Annotated Anodyne CNC(=O)[C@@H]1C[C@H]1[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc(F)c2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653822693 KK Annotated Anodyne C[C@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000653822698 KK Annotated Mild C[C@@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000653822699 KK Annotated Mild Cc1c(S(=O)(=O)Nc2ccc(N3CC[C@@H](C(=O)O)C3)c3ccccc23)sc2ccc(Cl)cc12 ZINC000653822837 KK Annotated Anodyne CC(C)=CCc1c(O)cc(O)c2c1O[C@@]13C(=C[C@]4(C/C=C/C(C)C)C[C@H]1C(C)(C)O[C@]3(CC=C(C)C)C4=O)C2=O ZINC000653823131 KK Annotated Mild O=C(NCc1ccc(N2CCN(c3ccccc3F)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653823141 KK Annotated Clean O=C(NCc1ccc(N2CCOCC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653823147 KK Annotated Clean O=C(NCc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653823151 KK Annotated Anodyne O=C(NCc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653823172 KK Annotated Clean O=C(NCc1ccc(OC(F)(F)F)cc1)c1c(-c2ccc3sc4ccccc4c3c2)nc2ccccn12 ZINC000653823175 KK Annotated Anodyne CC(C)(C)c1ccc(Oc2ccc(CNC(=O)c3c(-c4ccc5sc6ccccc6c5c4)nc4ccccn34)cc2)cc1 ZINC000653823194 KK Annotated Anodyne Cc1ccc(NC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c23)c(C)c1 ZINC000653823206 KK Annotated Anodyne O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653823212 KK Annotated Anodyne CNC(=O)c1ccc2c(c1)nc(-c1cccs1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653823215 KK Annotated Anodyne CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)cn(S(=O)(=O)C3CC3)c2cc1OCC ZINC000653823216 KK Annotated Mild O=C(Nc1ccc(F)cc1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653823220 KK Annotated Anodyne Cc1ccc(CNC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c23)cc1 ZINC000653823240 KK Annotated Anodyne O=C(NCc1ccccc1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653823244 KK Annotated Anodyne COc1cc([C@H]2C3=C(COC3=O)N(CCc3ccc(Cl)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823250 KK Annotated Anodyne COc1cc([C@@H]2C3=C(COC3=O)N(CCc3ccc(Cl)cc3)c3cc4c(cc32)OCO4)cc(OC)c1OC ZINC000653823251 KK Annotated Anodyne COc1ccc(NC(=O)c2cccc3nc(-c4cc(Br)nn4-c4ncccc4Cl)[nH]c23)c(OC)c1 ZINC000653823256 KK Annotated Anodyne COc1cccc(OC)c1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653823264 KK Annotated Anodyne CNC(=O)c1ccc2c(c1)nc(-c1nccs1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653823320 KK Annotated Anodyne CC(=O)Oc1cc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@@H](C/C=C(\C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)ccc1O ZINC000653823809 KK Annotated Mild C[C@H](Oc1ccc2[nH]nc(-c3nc4cc(C5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823837 KK Annotated Anodyne C[C@@H](Oc1ccc2[nH]nc(-c3nc4cc(C5CCN(C)CC5)ccc4[nH]3)c2c1)c1c(Cl)cncc1Cl ZINC000653823838 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(OCC(=O)O)c(OCC(=O)O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653823848 KK Annotated Mild CC(=O)Oc1ccc(C(=O)C2=C(O)[C@]3(CC=C(C)C)C[C@@H](C/C=C(\C)CCC=C(C)C)[C@](C)(CCC=C(C)C)[C@](CC=C(C)C)(C2=O)C3=O)cc1OC(C)=O ZINC000653823867 KK Annotated Mild CNC(=O)c1ccc2c(c1)nc(-c1csc(C)n1)n2[C@@H]1CCC[C@H](NC(=O)c2ccc(Br)s2)C1 ZINC000653825245 KK Annotated Anodyne O=C(NCc1c(F)ccc(F)c1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653825258 KK Annotated Anodyne C/C=C/CNC(=N)NCCCCCCCCN1CCCCCCOc2cc(OCCCNC(=S)Nc3ccc4c(c3)C(=O)OC43c4ccc(O)cc4Oc4cc(O)ccc43)ccc2CNC(=N)NC1=O ZINC000653825267 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653825321 KK Annotated Mild O=C(NCc1ccc(Cl)cc1)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653825329 KK Annotated Anodyne CO/N=C(\F)c1cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000653825369 KK Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCc2nc(C)no2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000653825405 KK Annotated Mild C[C@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000653825406 KK Annotated Mild C[C@@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000653825407 KK Annotated Mild CO/N=C(\F)c1cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000653825427 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(NCCN3CCS(=O)(=O)CC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC=C(c6ccc(C(=O)O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000653825436 KK Annotated Mild CCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@H]2[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653825836 KK Annotated Anodyne CCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@@H]2[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653825839 KK Annotated Anodyne CCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@H]2[C@@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653825841 KK Annotated Anodyne CCCCC[C@@H]1C[C@H]2CC[C@H]1C[C@@H]2[C@H]1Oc2cc(-c3cnc([C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)ccc2-c2cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3n21 ZINC000653825842 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3ccc(F)c(Cl)c3)c(OC)c2)cc1OC ZINC000653825844 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(=O)Nc3cc(Cl)cc(Cl)c3)c(OC)c2)cc1OC ZINC000653825885 KK Annotated Anodyne COc1ccc(Cl)cc1NC(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC ZINC000653825908 KK Annotated Anodyne CO/N=C(\F)c1cc(/C(=C\CCCN2CCOC2=O)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000653825931 KK Annotated Mild O=C(Nc1ccc(F)c(F)c1F)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653825939 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N(C)OC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000653826054 KK Annotated Anodyne CCCCCCCCCCOc1cc2c(=O)c(C(=O)OCC)cn(C(=O)N3CCCCC3)c2cc1OCC ZINC000653826056 KK Annotated Mild CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NOC)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000653826062 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)NO)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000653826083 KK Annotated Bother CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)N(C)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000653826096 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@@H](CC(C)C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653826097 KK Annotated Mild COc1cccc(C)c1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653827890 KK Annotated Anodyne CNC(=O)c1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(Br)cc(CCC#N)cc1OC ZINC000653827893 KK Annotated Mild CC[C@H](C)[C@H](NC(=O)/C(C)=C\C[C@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@@]431)OC(C)(C)C=C6)C2=O)C(=O)O ZINC000653827907 KK Annotated Mild COc1cccc(F)c1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653827920 KK Annotated Anodyne COC(=O)c1cc(N)c(Nc2ccc(C#N)cc2)cc1Oc1c(Br)cc(CCC#N)cc1OC ZINC000653827926 KK Annotated Mild O=C1c2cc(I)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F ZINC000653827934 KK Annotated Bother COc1ccc(C(F)(F)F)cc1NC(=O)c1cccc2nc(-c3cc(Br)nn3-c3ncccc3Cl)[nH]c12 ZINC000653827947 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653829404 KK Annotated Mild CO/N=C(\Cl)CCC/C=C(\c1cc(C)c(OC)c(C(=O)SC)c1)c1cc(C)c2oc(=O)n(C)c2c1 ZINC000653831316 KK Annotated Mild C(=N/Nc1ccccn1)\c1c(-c2ccccc2)nc2n1ccc1nc(-c3ccccc3)c(/C=N/Nc3ccccn3)n12 ZINC000653831343 KK Annotated Mild O=C1c2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F ZINC000653833209 KK Annotated Bother C=CC(=O)N1CCC[C@@H](Nc2ncnc(N3CCCCC3)c2C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000653833211 KK Annotated Anodyne O=C1c2cc(Br)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(I)cc1F ZINC000653833215 KK Annotated Bother CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3C#CC3CC(NC(=O)c4ccc(F)cc4)C3)ccc2nc1N ZINC000653833246 KK Annotated Mild CO/N=C(\Cl)CCC/C=C(\c1cc(C)c(OC)c(C(=O)SC)c1)c1cc(C)c2onc(OC)c2c1 ZINC000653833279 KK Annotated Mild CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@H](C(=O)O)C(C)C)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653833347 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CC(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653833368 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CC(C)C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653833373 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](C2CCC4(CC2)CC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653833422 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](C2CCC4(CC2)CC4)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653833426 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](C2CCC(F)(F)CC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653833455 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](C2CCC(F)(F)CC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653833456 KK Annotated Anodyne NS(=O)(=O)c1ccc(Nc2nc(NN3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccc(Cl)cc3)cs2)cc1 ZINC000653834944 KK Annotated Anodyne CC(C)(C)CCNC(=O)CCc1cc2cc(-c3ccccc3C#Cc3ccc(NC(=O)c4ccc(F)cc4)cn3)ccc2nc1N ZINC000653834966 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](C2CCOCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653835829 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](C2CCOCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653835830 KK Annotated Anodyne CO/N=C(\Cl)c1cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000653835835 KK Annotated Mild CO/N=C(\Cl)c1cc(/C(=C\CCCc2nnc(C)o2)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000653835842 KK Annotated Mild CO/N=C(\Cl)c1cc(/C(=C\CCCc2nc(C)no2)c2cc(C)c3onc(OC)c3c2)cc(C)c1OC ZINC000653835851 KK Annotated Mild CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653835878 KK Annotated Clean CCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](C)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O ZINC000653835879 KK Annotated Clean COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](C2CCCCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653835885 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](C2CCCCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653835886 KK Annotated Anodyne CO/N=C(\Cl)c1cc(/C(=C\CCCc2nc(C)no2)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC ZINC000653835889 KK Annotated Mild O=C1c2cc(I)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Cl)cc1F ZINC000653836204 KK Annotated Bother COc1ccc2c3c1O[C@H]1C[C@@H](OC(=O)CCCCCCCCC(=O)O[C@H]4C=C[C@@]56CN(C)CCc7ccc(OC)c(c75)O[C@H]6C4)C=C[C@@]31CN(C)CC2 ZINC000653836218 KK Annotated Anodyne O=C1c2cc(I)ccc2Oc2cc([N+](=O)[O-])ccc2N1c1ccc(Br)cc1F ZINC000653836240 KK Annotated Bother CCCCN1C[C@H](C)[C@@H]2C[C@@H](OC(=O)[C@H]3[C@H](c4ccc(O)c(OC)c4)[C@H](C(=O)O[C@@H]4C[C@H]5[C@@H](C)CN(CCCC)C[C@H]5[C@@H]4C)[C@H]3c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C1 ZINC000653836248 KK Annotated Anodyne COc1cc([C@H]2[C@H](C(=O)O[C@@H]3C[C@H]4[C@@H](C)CN(CC5CC5)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)O[C@@H]2C[C@H]3[C@@H](C)CN(CC4CC4)C[C@H]3[C@@H]2C)ccc1O ZINC000653836257 KK Annotated Anodyne CCCN1C[C@H](C)[C@@H]2C[C@@H](OC(=O)[C@H]3[C@H](c4ccc(O)c(OC)c4)[C@H](C(=O)O[C@@H]4C[C@H]5[C@@H](C)CN(CCC)C[C@H]5[C@@H]4C)[C@H]3c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C1 ZINC000653837584 KK Annotated Anodyne CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@@H](CCC(=O)OC(=O)c1ccccc1)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 ZINC000653837590 KK Annotated Reactive O=C(O)c1cccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4cc(Cl)ccc4C(=O)O)o3)C2=O)c1 ZINC000653837645 KK Annotated Clean C=C1CN(C)C[C@H]2[C@H](C)[C@H](OC(=O)[C@H]3[C@H](c4ccc(O)c(OC)c4)[C@H](C(=O)O[C@@H]4C[C@H]5C(=C)CN(C)C[C@H]5[C@@H]4C)[C@H]3c3ccc(O)c(OC)c3)C[C@@H]12 ZINC000653837650 KK Annotated Mild CSCC[C@H](NC(=O)/C(C)=C\C[C@]12OC(C)(C)[C@H]3C[C@H](C=C4C(=O)c5c(O)c6c(c(CC=C(C)C)c5O[C@@]431)OC(C)(C)C=C6)C2=O)C(=O)O ZINC000653837668 KK Annotated Mild COc1cc([C@H]2[C@H](C(=O)O[C@@H]3C[C@H]4[C@H](C)CN(C)C[C@H]4[C@@H]3C)[C@H](c3ccc(O)c(OC)c3)[C@H]2C(=O)O[C@@H]2C[C@H]3[C@H](C)CN(C)C[C@H]3[C@@H]2C)ccc1O ZINC000653837704 KK Annotated Anodyne O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C/c3ccc(-c4cc(Cl)ccc4C(=O)O)o3)C2=O)c1 ZINC000653837742 KK Annotated Clean COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2cccc(Cl)n2)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837792 KK Annotated Anodyne COC(=O)N[C@H](C(=O)Nc1ccccc1CC[C@@H]1CN[C@H](COC(=O)NCc2ccc(Cl)s2)CO1)C(c1ccccc1)c1ccccc1 ZINC000653837794 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(OC(=O)c3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653838492 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(Cc3ccc(O)c(O)c3)=C2O)[C@@]1(C)CCC=C(C)C ZINC000653838497 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@H]4C=C(O)C(=O)C=C4C3=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C ZINC000653838548 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(O[C@@H]4C=C(O)C(=O)C=C4C3=O)[C@](CC=C(C)C)(C2=O)[C@@]1(C)CCC=C(C)C ZINC000653838549 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2O[C@H]2C=C(O)C(=O)C=C2C3=O)[C@@]1(C)CCC=C(C)C ZINC000653838554 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2O[C@@H]2C=C(O)C(=O)C=C2C3=O)[C@@]1(C)CCC=C(C)C ZINC000653838555 KK Annotated Mild CC(=O)n1cc(-c2c(C)n(C(=O)CCc3ccccc3)n(C(=O)CCc3ccccc3)c2=O)c2ccccc21 ZINC000653838746 KK Annotated Anodyne CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@@H](Nc2ccc3c(N)nccc3c2)C1=O ZINC000653838799 KK Annotated Anodyne CN1Cc2cccc(c2)NC(=O)OCC(C)(C)c2ccc(cc2)[C@H](Nc2ccc3c(N)nccc3c2)C1=O ZINC000653838800 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](C2CCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653838824 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](C2CCC2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653838825 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](C)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653840612 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)cc2n3C3(CCCC3)Oc3cc(-c4cnc([C@@H]5C[C@@H](F)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc(F)c3-2)[nH]1)C(C)C ZINC000653840621 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)cc2n3C3(CCC3)Oc3cc(-c4cnc([C@@H]5C[C@@H](F)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc(F)c3-2)[nH]1)C(C)C ZINC000653840623 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)cc2n3C3(CCCCC3)Oc3cc(-c4cnc([C@@H]5C[C@@H](F)CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc(F)c3-2)[nH]1)C(C)C ZINC000653840637 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](CCC#N)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653840640 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](CCC#N)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653840641 KK Annotated Mild C[C@@H](OC(=O)N1CCC2(CCc3cc(-c4ccc(CS(=O)(=O)Cc5ccccn5)cc4)ccc3O2)CC1)C(F)(F)F ZINC000653840665 KK Annotated Anodyne C=CCN1C[C@H](C)[C@@H]2C[C@@H](OC(=O)[C@H]3[C@H](c4ccc(O)c(OC)c4)[C@H](C(=O)O[C@@H]4C[C@H]5[C@@H](C)CN(CC=C)C[C@H]5[C@@H]4C)[C@H]3c3ccc(O)c(OC)c3)[C@@H](C)[C@@H]2C1 ZINC000653840725 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(COC(=O)CCCCCNC(=O)OC(C)(C)C)nn1)CC2 ZINC000653841644 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2ccccc2)n(CC(=O)NC2(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC(OCc3ccccc3)C2)c1=O ZINC000653842119 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1cccc(Br)c1)N2c1cccc(Br)c1 ZINC000653842142 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccc(O)cc1)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653842145 KK Annotated Clean COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1OC ZINC000653842156 KK Annotated Mild CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)NC2(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)CC(OCc3ccccc3)C2)c1=O ZINC000653842160 KK Annotated Anodyne COc1ccc(C(=O)/C=C/c2cc([C@@H]3COc4c(ccc5c4C=CC(C)(C)O5)C3)c(OC)cc2OC)c(OC)c1 ZINC000653842740 KK Annotated Mild COc1cccc(C(=O)/C=C/c2cc([C@@H]3COc4c(ccc5c4C=CC(C)(C)O5)C3)c(OC)cc2OC)c1 ZINC000653842774 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cc([C@@H]3COc4c(ccc5c4C=CC(C)(C)O5)C3)c(OC)cc2OC)cc1 ZINC000653842778 KK Annotated Mild O[C@H](CSc1nnc(-c2ccccc2F)c(-c2ccccc2F)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653842781 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccccc2F)c(-c2ccccc2F)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653842782 KK Annotated Anodyne O[C@H](CSc1nnc(-c2ccccc2F)c(-c2ccccc2F)n1)Cn1c2ccccc2c2ccccc21 ZINC000653842783 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccccc2F)c(-c2ccccc2F)n1)Cn1c2ccccc2c2ccccc21 ZINC000653842784 KK Annotated Anodyne O[C@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653842794 KK Annotated Clean O[C@@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653842795 KK Annotated Clean O=c1c(Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1=O ZINC000653842825 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2ccco2)ccc1OCc1cn(CCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653842827 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653842829 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn(CCOc2cc(=O)oc3ccccc23)nn1 ZINC000653842839 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccccc2)ccc1OCc1cn(CCOc2cc(=O)oc3ccccc23)nn1 ZINC000653842840 KK Annotated Mild COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1OC ZINC000653842845 KK Annotated Mild O=c1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(N[C@@H]2CCCC[C@H]2N2CCCCC2)c1=O ZINC000653842858 KK Annotated Anodyne COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCCCOc3cc(=O)oc4ccccc34)nn2)c(OC)c1 ZINC000653842885 KK Annotated Mild CCc1nc2nc(C(F)(F)F)ccc2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000653843472 KK Annotated Mild CC(C)[C@@H](c1nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000653843477 KK Annotated Mild CC(C)[C@H](c1nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000653843478 KK Annotated Mild O=c1c2ccc(C(F)(F)F)nc2nc(-c2ccccc2)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000653843479 KK Annotated Mild O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1cccc(Cl)c1)N2c1ccc(F)c(Cl)c1 ZINC000653843482 KK Annotated Anodyne CC[C@@H](C)[C@H](c1nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000653843490 KK Annotated Mild CCCCn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O ZINC000653843510 KK Annotated Reactive CCn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O ZINC000653843525 KK Annotated Reactive CC(C)Cn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O ZINC000653843530 KK Annotated Reactive CCCCCCCCCCn1cc(Cn2c(-c3ccco3)nc3nc(C(F)(F)F)ccc3c2=O)nn1 ZINC000653843535 KK Annotated Mild CCCn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O ZINC000653843550 KK Annotated Reactive COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 ZINC000653843990 KK Annotated Mild Cc1ccc(S(=O)(=O)NC(=O)c2ccccc2NC(=O)Cn2c(CCC3CCCCC3)c(Cl)nc(NC(=O)NC(C)(C)C)c2=O)cc1 ZINC000653844284 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000653844306 KK Annotated Anodyne CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCOCCc3cccc4ccccc34)cc21 ZINC000653844318 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCCOc3cccc4ccccc34)cc21 ZINC000653844331 KK Annotated Mild CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccccc2C(=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1=O ZINC000653844332 KK Annotated Anodyne COc1ccc2c3ccn(CCCCCCn4ccc5c6ccc(OC)cc6nc-5c4C)c(C)c-3nc2c1 ZINC000653845054 KK Annotated Anodyne CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[P+](C4CCCCC4)(C4CCCCC4)C4CCCCC4)cc3)c3ccccc3c2=O)cc1 ZINC000653845056 KK Annotated Mild FC(F)(F)c1ccc2c(OCc3cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn3)nc(-c3ccccc3)nc2n1 ZINC000653845075 KK Annotated Mild Cc1c(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000653845077 KK Annotated Clean CCCCCCCCCCn1cc(COc2nc(-c3ccccc3)nc3nc(C(F)(F)F)ccc23)nn1 ZINC000653845091 KK Annotated Mild COc1ccc2c3ccn(Cc4ccc(Cn5ccc6c7ccc(OC)cc7nc-6c5C)cc4)c(C)c-3nc2c1 ZINC000653845092 KK Annotated Anodyne CCOc1cncc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3C2=O)c1 ZINC000653845096 KK Annotated Anodyne O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1-c1ccc2ccccc2c1 ZINC000653845107 KK Annotated Reactive CNc1ccc(-n2nc(-c3ccc(OCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2=O)cc1 ZINC000653845133 KK Annotated Reactive COC(=O)[C@H](Cc1ccc(O)cc1)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653845136 KK Annotated Clean COc1ccc2c3ccn(CCCCCCCCn4ccc5c6ccc(OC)cc6nc-5c4C)c(C)c-3nc2c1 ZINC000653845143 KK Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000653845317 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccsc1 ZINC000653845324 KK Annotated Mild Cc1ccc2nc(N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3OC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c1 ZINC000653845329 KK Annotated Anodyne CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1nccs1 ZINC000653845330 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccco1 ZINC000653845339 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1cccs1 ZINC000653845340 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccccn1 ZINC000653845347 KK Annotated Mild CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1ccc[nH]1 ZINC000653845357 KK Annotated Mild COc1cccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)c1 ZINC000653845409 KK Annotated Mild COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCCCCOc3cc(=O)oc4ccccc34)nn2)c(OC)c1 ZINC000653845410 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCOCCSc3cccc4ccccc34)cc21 ZINC000653845418 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCOCCOc3cccc4ccccc34)cc21 ZINC000653845419 KK Annotated Mild CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[n+]4ccccc4)cc3)c3ccccc3c2=O)cc1 ZINC000653845447 KK Annotated Anodyne C=CCc1cc(NC(=O)CCCCCCCCCCCCCCCCC)c(O)c(-c2ccc(OC)c(CC=C)c2)c1 ZINC000653846198 KK Annotated Mild COc1cccc(C(=O)/C=C/c2cc3c(c4c2OC(C)(C)C=C4)OC[C@@H](c2ccc(OC)cc2OC)C3)c1 ZINC000653846227 KK Annotated Mild O[C@@H](CSc1nnc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653846487 KK Annotated Anodyne O[C@H](CSc1nnc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653846488 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653846497 KK Annotated Anodyne O[C@H](CSc1nnc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653846498 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653846502 KK Annotated Anodyne O[C@H](CSc1nnc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653846503 KK Annotated Anodyne COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1 ZINC000653846504 KK Annotated Mild COc1cccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)c1 ZINC000653846509 KK Annotated Mild Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2Nc2c(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(=O)c2=O)cc1 ZINC000653846511 KK Annotated Anodyne CCOC(=O)[C@H](Cc1ccccc1)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653846514 KK Annotated Clean Cc1c(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000653846515 KK Annotated Clean COC(=O)[C@H](Cc1ccccc1)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653846521 KK Annotated Clean CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN[C@@H](Cc5ccccc5)C(=O)OC(C)(C)C)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000653846526 KK Annotated Clean O[C@H](CSc1nnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1)Cn1c2ccccc2c2ccccc21 ZINC000653846534 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccccc2Cl)c(-c2ccccc2Cl)n1)Cn1c2ccccc2c2ccccc21 ZINC000653846535 KK Annotated Anodyne C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@H](Nc1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653846644 KK Annotated Mild C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](Nc1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653846646 KK Annotated Mild C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](Nc1c(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653846648 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cc([C@@H]3COc4c(cc(/C=C/C(=O)c5ccc(OC)cc5OC)c5c4C=CC(C)(C)O5)C3)c(OC)cc2OC)c(OC)c1 ZINC000653847513 KK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(cc(/C=C/C(=O)c4ccc(OC)c(OC)c4)c4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 ZINC000653847559 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn(CCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653847617 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](n1cc(CCCCC(=O)OCc3ccccc3)nn1)CC2 ZINC000653847622 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccs2)ccc1OCc1cn(CCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653847629 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccccc2)ccc1OCc1cn(CCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653847632 KK Annotated Mild CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2ccccc2S(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653847635 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000653847655 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCc2ccccc2)n(CC(=O)Nc2ccccc2S(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653847674 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(Cc2cccc3ccccc23)n(CC(=O)Nc2cccc(S(=O)(=O)NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1=O ZINC000653847676 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653848273 KK Annotated Anodyne O[C@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653848274 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653848285 KK Annotated Anodyne O[C@H](CSc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)n1)Cn1c2ccccc2c2ccccc21 ZINC000653848286 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653848302 KK Annotated Anodyne O[C@H](CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653848303 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1cccc(Cl)c1F)N2c1cccc(Cl)c1 ZINC000653848308 KK Annotated Anodyne O[C@@H](CSc1nnc(-c2cccc(F)c2)c(-c2cccc(F)c2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653848324 KK Annotated Anodyne O[C@H](CSc1nnc(-c2cccc(F)c2)c(-c2cccc(F)c2)n1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000653848325 KK Annotated Anodyne O[C@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653848329 KK Annotated Clean O[C@@H](CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 ZINC000653848330 KK Annotated Clean O=C1Nc2ccc(Br)cc2[C@]12ON=C(c1cccc(Cl)c1)N2c1cccc(Cl)c1F ZINC000653848332 KK Annotated Anodyne CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCCOc3cccc4ccccc34)cc21 ZINC000653848654 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2)c1=O ZINC000653848670 KK Annotated Anodyne CC(C)C[C@H](c1nc2ccc(C(=O)N[C@H](C#N)CCCCN)cc2n1C)N1C(=O)CN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000653848728 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653848904 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cc([C@@H]3COc4c(cc(/C=C/C(=O)c5ccc(OC)cc5)c5c4C=CC(C)(C)O5)C3)c(OC)cc2OC)cc1 ZINC000653848907 KK Annotated Mild Cc1ccc(/N=c2\c3ccc(C)cc3n(C(=O)c3ccc(C(C)(C)C)cc3)c3c(O)c(O)c(O)cc23)cc1 ZINC000653849086 KK Annotated Clean CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOSCc3cccc4ccccc34)cc21 ZINC000653849307 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOCCc3cccc4ccccc34)cc21 ZINC000653849321 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653849860 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccco2)ccc1OCc1cn(CCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653849862 KK Annotated Mild COc1cccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)c1 ZINC000653849883 KK Annotated Mild COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1 ZINC000653849896 KK Annotated Mild COc1ccc([C@@H]2COc3c(cc(/C=C/C(=O)c4ccc(OC)c(OC)c4)c4c3C=CC(C)(C)O4)C2)c(OC)c1 ZINC000653849916 KK Annotated Mild COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCCOc3cc(=O)oc4ccccc34)nn2)c(OC)c1 ZINC000653849931 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCOc3cccc4ccccc34)cc21 ZINC000653850050 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCOc3ccc4ccccc4c3)cc21 ZINC000653850090 KK Annotated Mild Clc1ccc(/C=N/Nc2ncnc3c2c(-c2ccccc2)c(-c2ccccc2)n3C2CCCCC2)cc1 ZINC000653850142 KK Annotated Mild C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Nc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653850146 KK Annotated Mild O=c1c(Nc2ccc3ccccc3c2-c2c(O)ccc3ccccc23)c(N[C@@H]2CCCC[C@H]2N2CCCC2)c1=O ZINC000653850169 KK Annotated Anodyne CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[N+](CC)(CC)CC)cc3)c3ccccc3c2=O)cc1 ZINC000653850184 KK Annotated Bother COc1ccc([C@@H]2COc3c(cc(/C=C/C(=O)c4ccccc4OC)c4c3C=CC(C)(C)O4)C2)c(OC)c1 ZINC000653850185 KK Annotated Mild CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCCn4cc[n+](C)c4)cc3)c3ccccc3c2=O)cc1 ZINC000653850195 KK Annotated Anodyne CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCCP(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2=O)cc1 ZINC000653850205 KK Annotated Reactive COc1cc(/C=C/C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC=C(C)C)[C@@H]5CC[C@H]4C2(C)C)ccc1O ZINC000653850208 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@@]45C[C@@]35CC[C@@]21C)C(C)C ZINC000653850216 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cccs2)ccc1OCc1cn(CCOc2cc(=O)oc3ccccc23)nn1 ZINC000653850665 KK Annotated Mild C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653850666 KK Annotated Mild C=C[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653850667 KK Annotated Mild C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653850668 KK Annotated Mild C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](Nc1c(Nc2ccc(C(F)(F)F)cc2)c(=O)c1=O)c1ccnc2ccccc12 ZINC000653850669 KK Annotated Mild CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653850674 KK Annotated Clean COc1cc(/C=C/C(=O)/C=C/c2ccccc2)ccc1OCc1cn(CCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653850681 KK Annotated Mild COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1OC ZINC000653850683 KK Annotated Mild COC(=O)[C@H](Cc1c[nH]c2ccccc12)NCc1c2c(O)c3c(O)c(C)c4c(c3c1O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N2)O4 ZINC000653850684 KK Annotated Clean COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn(CCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653850715 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cccs2)ccc1OCc1cn(CCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653850794 KK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccccc1OC ZINC000653850984 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccccc2)ccc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653850999 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653851007 KK Annotated Mild COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCCCCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1OC ZINC000653851027 KK Annotated Mild O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1-c1ccccc1 ZINC000653851515 KK Annotated Reactive Clc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(N/N=C/c4ccccc4)ncnc32)cc1 ZINC000653851519 KK Annotated Mild CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2=O)cc1 ZINC000653851526 KK Annotated Reactive CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCCBr)cc3)c3ccccc3c2=O)cc1 ZINC000653851543 KK Annotated Reactive O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1-c1cccs1 ZINC000653851558 KK Annotated Reactive CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(CN[C@@H](Cc5ccccc5)C(=O)OCc5ccccc5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C ZINC000653851673 KK Annotated Clean CN(C)CCCN1c2ccccc2CCc2ccc(C#CCOCCCOCCCN3c4ccccc4CCc4ccccc43)cc21 ZINC000653851973 KK Annotated Mild COc1cccc(C(=O)/C=C/c2cc([C@@H]3COc4c(cc(/C=C/C(=O)c5cccc(OC)c5)c5c4C=CC(C)(C)O5)C3)c(OC)cc2OC)c1 ZINC000653852809 KK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(cc(/C=C/C(=O)c4ccccc4OC)c4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccccc1OC ZINC000653852831 KK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(cc(/C=C/C(=O)c4ccccc4)c4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccccc1 ZINC000653852854 KK Annotated Mild CCc1c(OC)cncc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653852887 KK Annotated Anodyne COc1ccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)cc1 ZINC000653852890 KK Annotated Mild COc1ccccc1/C=C/C(=O)/C=C/c1ccc(OCc2cn(CCOc3cc(=O)oc4ccccc34)nn2)c(OC)c1 ZINC000653852901 KK Annotated Mild CCOc1ccncc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O ZINC000653852914 KK Annotated Anodyne COc1cccc(/C=C/C(=O)/C=C/c2ccc(OCc3cn(CCOc4cc(=O)oc5ccccc45)nn3)c(OC)c2)c1 ZINC000653852967 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2ccco2)ccc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653853319 KK Annotated Mild CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCOc3cccc4ccccc34)cc21 ZINC000653853328 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C/c2cccc3ccccc23)ccc1OCc1cn(CCOc2cc(=O)oc3ccccc23)nn1 ZINC000653853337 KK Annotated Mild COc1cc(/C=C/C(=O)/C=C/c2cccs2)ccc1OCc1cn(CCCCCOc2cc(=O)oc3ccccc23)nn1 ZINC000653853346 KK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(cc(/C=C/C(=O)c4ccco4)c4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccco1 ZINC000653853987 KK Annotated Mild COc1cc(OC)c([C@@H]2COc3c(cc(/C=C/C(=O)c4ccc[nH]4)c4c3C=CC(C)(C)O4)C2)cc1/C=C/C(=O)c1ccc[nH]1 ZINC000653854052 KK Annotated Mild CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2ccc(CC(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c1=O ZINC000653854053 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)c1=O ZINC000653854375 KK Annotated Anodyne CN(C(=O)c1ccccc1NC(=O)Cn1c(CCC2CCCCC2)c(Cl)nc(NC(=O)NC(C)(C)C)c1=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000653854380 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(Br)ccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653856812 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(F)ccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653856823 KK Annotated Anodyne CC(C)(C)NC(=O)Nc1nc(Cl)c(CCC2CCCCC2)n(CC(=O)Nc2cc(-c3cncnc3)ccc2C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1=O ZINC000653856828 KK Annotated Anodyne C=Cc1ccc(C(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(NC(=O)Cn2c(CCC3CCCCC3)c(Cl)nc(NC(=O)NC(C)(C)C)c2=O)c1 ZINC000653856865 KK Annotated Anodyne O=C1/C(=C/N2N=C(c3ccccc3)C[C@@H]2c2ccccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000653856970 KK Annotated Clean O=C1/C(=C/N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000653856971 KK Annotated Clean CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)SC2=S)cc1 ZINC000653856988 KK Annotated Clean CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)SC2=S)cc1 ZINC000653856989 KK Annotated Clean CN(CCCN1C(=O)c2cccc3c(N4CCC(CCO)CC4)ccc(c23)C1=O)CCCN1C(=O)c2cccc3c(N4CCC(CCO)CC4)ccc(c23)C1=O ZINC000653856998 KK Annotated Anodyne CCOC(=O)c1c(/C=C/c2ccccc2)c(C#N)c(=O)n(/N=C(\C)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1N ZINC000653857022 KK Annotated Mild Cn1ncc(Br)c1-c1ccc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1 ZINC000653857023 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2ccccc2OC(F)(F)F)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653857048 KK Annotated Mild O[C@H](CN1C[C@@](Cc2ccccc2OC(F)(F)F)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653857049 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(OC4CCCCC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857468 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(OC4CCCCC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857471 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(-c4cccnc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857497 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(-c4cccnc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857498 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(-c4cn[nH]c4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857517 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(-c4cn[nH]c4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857518 KK Annotated Anodyne CCOc1cccc([C@@H]2Oc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4n32)c1 ZINC000653857520 KK Annotated Anodyne CCOc1cccc([C@H]2Oc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4n32)c1 ZINC000653857521 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2ccc(-c4cncnc4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857530 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2ccc(-c4cncnc4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857531 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(C4CC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857552 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(C4CC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857553 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(OC4CCCC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857570 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(OC4CCCC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653857571 KK Annotated Anodyne COc1ccc(CCN(CCCc2ccccc2Br)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857918 KK Annotated Anodyne COc1cc(/C=N/Nc2nncc3ccccc23)cc(Oc2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1O ZINC000653857925 KK Annotated Mild Cc1nc(N(C)C(=O)NC(=O)c2ccc(Cl)cc2Cl)sc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 ZINC000653857926 KK Annotated Reactive CC(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)nn2-c2ccc(S(C)(=O)=O)cc2)cc(C(C)(C)C)c1 ZINC000653857942 KK Annotated Anodyne COc1ccc(CCN(CCCc2ccccc2I)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653857971 KK Annotated Anodyne CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000653857979 KK Annotated Reactive CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 ZINC000653857980 KK Annotated Reactive Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000653857985 KK Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(F)cc1 ZINC000653858616 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(F)c(F)c1 ZINC000653858623 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(F)c(Br)c1 ZINC000653858700 KK Annotated Anodyne O=C(Nc1ccc(O[C@@H]2CCNC2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1 ZINC000653858726 KK Annotated Anodyne O=C(Nc1ccc(O[C@H]2CCNC2)c(-c2ccc(F)cc2)c1)c1ccc(O[C@H]2CCNC2)c(-c2ccc(F)c(F)c2)c1 ZINC000653858729 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C)c(F)c1 ZINC000653858733 KK Annotated Anodyne CCCCc1ccc(NC(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)cc1 ZINC000653858785 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7cc(Br)ccc76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653859552 KK Annotated Anodyne O[C@H](CN1c2ccccc2N(Cc2cccc(OC(F)(F)F)c2)C[C@@H]1c1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F ZINC000653859564 KK Annotated Mild O[C@@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653859566 KK Annotated Mild O[C@@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653859567 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7c(Br)cccc76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653859582 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7c(Cl)cccc76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653859606 KK Annotated Anodyne COc1ccc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)cc1 ZINC000653859639 KK Annotated Anodyne COc1ccc(C[C@@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)cc1 ZINC000653859640 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cc(F)ccc21)C(F)(F)F ZINC000653859641 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cc(F)ccc21)C(F)(F)F ZINC000653859642 KK Annotated Mild O[C@H](CN1C[C@](Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cc(OC(F)(F)F)ccc21)C(F)(F)F ZINC000653859650 KK Annotated Mild O[C@H](CN1C[C@@](Cc2ccccc2)(c2cccc(OC(F)(F)F)c2)c2cc(OC(F)(F)F)ccc21)C(F)(F)F ZINC000653859651 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(O)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653859654 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(O)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653859655 KK Annotated Anodyne O=C(Nc1ccc(Nc2ccc(OC3CCNCC3)cc2)cc1)c1cccc(-n2nc(C(=O)Nc3ccc(Nc4ccc(OC5CCNCC5)cc4)cc3)c3c2C(=O)NCC3)c1 ZINC000653859656 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(-c4ccc(N)nc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653859692 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(-c4ccc(N)nc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653859693 KK Annotated Anodyne COC(=O)c1cccc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653859710 KK Annotated Anodyne COC(=O)c1cccc(C[C@@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653859711 KK Annotated Anodyne N#Cc1cccc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653859717 KK Annotated Mild N#Cc1cccc(C[C@@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653859718 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1cc(C)cc(C)c1 ZINC000653861019 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(F)cc1Cl ZINC000653861023 KK Annotated Anodyne CCCCc1nc(Cl)c(/C=N/N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)n1Cc1ccccc1Cl ZINC000653861053 KK Annotated Mild CCc1ccc(C(=O)O[C@H]2c3cc(OC)c(OC)c(OC)c3-c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@]2(C)O)cc1 ZINC000653861063 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1F ZINC000653861065 KK Annotated Anodyne CCCCOP(=O)(Nc1ccc(-c2cc3ccc(OS(N)(=O)=O)cc3oc2=O)cc1)OCCCC ZINC000653861072 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C)cc1 ZINC000653861075 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4C3)c2)nc2ccccc21 ZINC000653861086 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1cccc(Cl)c1 ZINC000653861087 KK Annotated Anodyne COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)c1ccc(-c2ssc(=S)c2-c2ccccc2)cc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 ZINC000653861089 KK Annotated Clean COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(Cl)cc1 ZINC000653861092 KK Annotated Anodyne CCCc1ccc(C(=O)O[C@H]2c3cc(OC)c(OC)c(OC)c3-c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@]2(C)O)cc1 ZINC000653861097 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6cccc(C(F)(F)F)c6)CC5)cc4C3)c2)nc2ccccc21 ZINC000653861098 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C(F)(F)F)cc1 ZINC000653861099 KK Annotated Anodyne Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCC(O)CC5)cc4C3)ccc2Cl)nc2ccccc21 ZINC000653861102 KK Annotated Anodyne CCCCCCCCCCCCn1c(CCCC)nc(Cl)c1/C=N/N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000653861119 KK Annotated Mild COc1cc2nc(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(OCCN(C)C)c(F)c3)c2cc1OC ZINC000653861146 KK Annotated Anodyne COc1cc2nc(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(OCCN(C)C)c(F)c3)c2cc1OC ZINC000653861147 KK Annotated Anodyne CCCC[P+](CCCC)(CCCC)CCCCCCOCc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000653861149 KK Annotated Mild Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccccc6)CC5)cc4C3)c2)nc2ccccc21 ZINC000653861169 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(C(=O)c6ccco6)CC5)cc4C3)c2)nc2ccccc21 ZINC000653861184 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 ZINC000653861636 KK Annotated Mild CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(I)cc1)Oc1ccc(Cl)cc1-2 ZINC000653861654 KK Annotated Anodyne CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(I)cc1)Oc1ccc(Cl)cc1-2 ZINC000653861662 KK Annotated Anodyne C[C@H](O)CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccc(C(F)(F)F)cc21 ZINC000653861731 KK Annotated Mild C[C@H](O)CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccc(C(F)(F)F)cc21 ZINC000653861741 KK Annotated Mild O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2ccccc2)c2cc(OC(F)(F)F)ccc21)C(F)(F)F ZINC000653861795 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2ccccc2)c2cc(OC(F)(F)F)ccc21)C(F)(F)F ZINC000653861797 KK Annotated Mild Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000653861799 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc5c(c4)OCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N4CCC[C@H]4c4ncc-5[nH]4)ccc3c2[nH]1)C(C)C ZINC000653861805 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(-c4ncon4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653861812 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(-c4ncon4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653861818 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(OCC(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653861819 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(OCC(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653861821 KK Annotated Anodyne NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1 ZINC000653861823 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6cc(=O)oc7ccccc67)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653861838 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(OC(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653861839 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(OC(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653861841 KK Annotated Anodyne Cc1cccc2c1N(C[C@@H](O)C(F)(F)F)C[C@]2(Cc1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000653861875 KK Annotated Mild Cc1cccc2c1N(C[C@@H](O)C(F)(F)F)C[C@@]2(Cc1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1 ZINC000653861876 KK Annotated Mild NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccccc3)n2)cc1 ZINC000653861882 KK Annotated Mild CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 ZINC000653862695 KK Annotated Reactive CCn1cc(Cl)c2cc(-c3c(-c4cc(I)c(OC)c(OC)c4)ncn3C)ccc21 ZINC000653862712 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653862753 KK Annotated Reactive CCCCc1nc(Cl)c(/C=N/N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)n1Cc1ccc(Cl)cc1Cl ZINC000653863981 KK Annotated Mild NS(=O)(=O)Oc1ccc2cc(-c3ccc(NP(=O)(Oc4ccccc4)Oc4ccccc4)cc3)c(=O)oc2c1 ZINC000653863992 KK Annotated Anodyne O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1cccc(Cl)c1 ZINC000653863995 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(C(c6ccccc6)c6ccccc6)CC5)cc4C3)c2)nc2ccccc21 ZINC000653864003 KK Annotated Anodyne CCCCCCCCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O ZINC000653864012 KK Annotated Mild CCCCCCCCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1cc(Br)ccc1O ZINC000653864013 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C)c(C)c1 ZINC000653864023 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccccn6)CC5)cc4C3)c2)nc2ccccc21 ZINC000653864054 KK Annotated Anodyne O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1ccc(Cl)cc1 ZINC000653864060 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccsc1 ZINC000653864079 KK Annotated Anodyne NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000653864101 KK Annotated Mild Cn1ncc(Cl)c1-c1oc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1Br ZINC000653864111 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(S(N)(=O)=O)cc3)cc2/C=N\Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 ZINC000653864160 KK Annotated Mild C[C@@H]1CCc2c([nH]c3cc(Cl)ccc3c2=NCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)C[C@H](C)CC3)C1 ZINC000653865330 KK Annotated Anodyne C[C@H]1CCc2c([nH]c3cc(Cl)ccc3c2=NCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)C[C@H](C)CC3)C1 ZINC000653865331 KK Annotated Anodyne C[C@H]1CCc2c([nH]c3cc(Cl)ccc3c2=NCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)C[C@@H](C)CC3)C1 ZINC000653865332 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653865363 KK Annotated Reactive CC1(C)CCc2c([nH]c3ccccc3c2=NCCCCCCN=c2c3c([nH]c4ccccc24)CC(C)(C)CC3)C1 ZINC000653865371 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000653865376 KK Annotated Reactive CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000653865382 KK Annotated Reactive COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000653866623 KK Annotated Bother ClC(Cl)(Cl)c1nc(Oc2c(Br)cc(Br)c3cccnc23)c2ccccc2n1 ZINC000653866774 KK Annotated Anodyne OCCN1CCN(C[C@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000653866791 KK Annotated Anodyne OCCN1CCN(C[C@@H](c2ccc3sc4ccccc4c3c2)n2cc(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000653866793 KK Annotated Anodyne COc1ccc([C@H]2CC(/C=C/C(=O)c3ccc(-n4c(-c5ccco5)nc5ccccc5c4=O)cc3)=NN2C(C)=O)cc1 ZINC000653867717 KK Annotated Mild COc1ccc([C@@H]2CC(/C=C/C(=O)c3ccc(-n4c(-c5ccco5)nc5ccccc5c4=O)cc3)=NN2C(C)=O)cc1 ZINC000653867718 KK Annotated Mild CC(C)(C)OC(=O)NCCCN[C@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000653867722 KK Annotated Mild CC(C)(C)OC(=O)NCCCN[C@@H](C1=C(O)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl ZINC000653867723 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(C(=O)N(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653867726 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(C(=O)N(C)C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653867727 KK Annotated Anodyne O=C1Nc2ccc(NC(=O)[C@H](NC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)cc2/C1=C/c1cccs1 ZINC000653867837 KK Annotated Anodyne CC1(C)CCc2c([nH]c3cc(Cl)ccc3c2=NCCCCCCN=c2c3c([nH]c4cc(Cl)ccc24)CC(C)(C)CC3)C1 ZINC000653869263 KK Annotated Anodyne CCCCCn1c(CCCC)nc(Cl)c1/C=N/N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000653869537 KK Annotated Mild CCCCCCCn1c(CCCC)nc(Cl)c1/C=N/N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000653869542 KK Annotated Mild CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653869578 KK Annotated Reactive CCCCCCCCn1c(CCCC)nc(Cl)c1/C=N/N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000653869579 KK Annotated Mild O=c1c(-c2cccc(C(F)(F)F)c2)coc2c1c(O)cc1occ(-c3cccc(C(F)(F)F)c3)c(=O)c12 ZINC000653870726 KK Annotated Bother O=c1c(-c2ccccc2C(F)(F)F)coc2c1c(O)cc1occ(-c3ccccc3C(F)(F)F)c(=O)c12 ZINC000653870732 KK Annotated Bother C=CC[C@@](C/C=C(\C)CCC=C(C)C)(P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@@](=O)(OCC[C@@H](C)CCC=C(C)C)OCOC(=O)C(C)(C)C ZINC000653870760 KK Annotated Mild C=CC[C@](C/C=C(\C)CCC=C(C)C)(P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@](=O)(OCC[C@@H](C)CCC=C(C)C)OCOC(=O)C(C)(C)C ZINC000653870761 KK Annotated Mild C=CC[C@](C/C=C(\C)CCC=C(C)C)(P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@@](=O)(OCC[C@@H](C)CCC=C(C)C)OCOC(=O)C(C)(C)C ZINC000653870762 KK Annotated Mild C=CC[C@@](C/C=C(\C)CCC=C(C)C)(P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)[P@](=O)(OCC[C@@H](C)CCC=C(C)C)OCOC(=O)C(C)(C)C ZINC000653870763 KK Annotated Mild O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653871492 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653871517 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653871518 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7cc(Cl)ccc76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653871639 KK Annotated Anodyne O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653871688 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653871746 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(C)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653871751 KK Annotated Anodyne O=C(/C=C/c1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653871783 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2ccc(C4CC4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653872499 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2ccc(C4CC4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653872500 KK Annotated Anodyne S=C(NCCCCCCCCCCCCNC(=S)NC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1 ZINC000653872503 KK Annotated Anodyne CNC(=O)c1cccc([C@H]2Oc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4n32)c1 ZINC000653872531 KK Annotated Anodyne CNC(=O)c1cccc([C@@H]2Oc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc3-c3cc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)ccc4n32)c1 ZINC000653872532 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCCCCCO7)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653872538 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2ccc(OC(F)(F)F)cc2)c2ccccc21)C(F)(F)F ZINC000653872999 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2ccc(OC(F)(F)F)cc2)c2ccccc21)C(F)(F)F ZINC000653873000 KK Annotated Mild O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(Cl)c2)c2ccccc21)C(F)(F)F ZINC000653873007 KK Annotated Anodyne O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(Cl)c2)c2ccccc21)C(F)(F)F ZINC000653873008 KK Annotated Anodyne CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOc3nc(-c4ccc(Cl)c(Cl)c4)n(-c4ccc(NC(=O)CCl)cc4)n3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 ZINC000653873334 KK Annotated Reactive COc1cc(-c2nnc3n2CCC[C@@]32OCc3c(cccc3C(F)(F)F)N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653873347 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@]32OCc3c(cccc3C(F)(F)F)N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653873349 KK Annotated Anodyne COc1ccc(CCN(CCCc2ccc(Br)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873412 KK Annotated Anodyne COc1ccc(CCN(CCCc2ccc(I)cc2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653873458 KK Annotated Anodyne CCCCCCCCCCn1c(CCCC)nc(Cl)c1/C=N/N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O ZINC000653873767 KK Annotated Mild O=c1oc2ccccc2cc1C1=CSC2=NC3=C(CSc4ccccc43)[C@@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000653873793 KK Annotated Bother O=c1oc2ccccc2cc1C1=CSC2=NC3=C(CSc4ccccc43)[C@H](c3cccc([N+](=O)[O-])c3)N12 ZINC000653873794 KK Annotated Bother COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(C(N)=O)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653874466 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(C(N)=O)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653874467 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(C#N)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653874532 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(C#N)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653874537 KK Annotated Mild Fc1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653874619 KK Annotated Anodyne Fc1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)c(Cl)c1 ZINC000653874620 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653874628 KK Annotated Bother O=[N+]([O-])c1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653874629 KK Annotated Bother O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(F)c21)C(F)(F)F ZINC000653874640 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2cccc(F)c21)C(F)(F)F ZINC000653874641 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc7ccc(=O)oc7c6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653874653 KK Annotated Anodyne COc1ccc(CCN(CCCc2cccc(Br)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653875509 KK Annotated Anodyne CCCCCCCCCCCOc1ccccc1CCC(=O)OC[C@H]1OCCC[C@@H]1O[P@](=O)(O)OC[C@H](N)C(=O)O ZINC000653875528 KK Annotated Mild O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1F ZINC000653878475 KK Annotated Anodyne CC(C)Oc1cc([C@@]2(Cc3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)ccn1 ZINC000653878493 KK Annotated Anodyne CC(C)Oc1cc([C@]2(Cc3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)ccn1 ZINC000653878494 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2ccnc(C(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653878497 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2ccnc(C(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653878498 KK Annotated Mild Cc1cccc2c1[C@@](Cc1cccc(OC(F)(F)F)c1)(c1cccc(OC(F)(F)F)c1)CN2C[C@@H](O)C(F)(F)F ZINC000653878510 KK Annotated Mild Cc1cccc2c1[C@](Cc1cccc(OC(F)(F)F)c1)(c1cccc(OC(F)(F)F)c1)CN2C[C@@H](O)C(F)(F)F ZINC000653878511 KK Annotated Mild O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)SC(=S)N1c1cccnc1 ZINC000653878731 KK Annotated Clean O=C1/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)SC(=S)N1c1cccnc1 ZINC000653878732 KK Annotated Clean NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000653878738 KK Annotated Mild NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000653878750 KK Annotated Mild NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Br)ccc5oc4=O)cs3)c(-c3ccc(F)cc3)n2)cc1 ZINC000653878751 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2OCCN2CCOCC2)[nH]1)C(C)C ZINC000653878789 KK Annotated Anodyne CCOC(=O)c1oc2ccc(N(Cc3ccc(Br)cc3)S(=O)(=O)c3ccc(Br)cc3)cc2c1C ZINC000653878888 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000653880665 KK Annotated Reactive COc1ccc2cc([C@@H]3C4=C(CC(C)(C)CC4=O)Oc4nc5c(c(N)c43)CCCCC5)c(Cl)nc2c1 ZINC000653882159 KK Annotated Mild COc1ccc2cc([C@H]3C4=C(CC(C)(C)CC4=O)Oc4nc5c(c(N)c43)CCCCC5)c(Cl)nc2c1 ZINC000653882160 KK Annotated Mild CCCC[C@H](C(=O)OC)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)C1(C)C)C(=O)C(C(=O)CCC)=C2O ZINC000653882182 KK Annotated Mild CCCC[C@@H](C(=O)OC)[C@]12C(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)C1(C)C)C(=O)C(C(=O)CCC)=C2O ZINC000653882183 KK Annotated Mild CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(S(=O)(=O)c5ccc(Br)c(F)c5)CC4)cc3)oc2c1 ZINC000653882230 KK Annotated Anodyne C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1coc(-c3ccccc3C(F)(F)F)c1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653882232 KK Annotated Mild C=C1C(=O)O[C@H]2[C@H]1CC/C(COC(=O)c1coc(-c3ccc(Br)cc3)c1)=C/CC[C@@]1(C)O[C@@H]21 ZINC000653882374 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1cc2ccccc2oc1=O ZINC000653882837 KK Annotated Anodyne C[C@@H](c1ccccc1)N(CC(N)=O)C(=O)CN(C(=O)CN(CCCCCCN)C(=O)CN(C(=O)CN(C(=O)CNCCCCCCN)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1 ZINC000653882841 KK Annotated Anodyne O=C1c2ccc(OS(=O)(=O)C(F)(F)F)cc2Oc2c(Cl)cc(C(=O)c3ccccc3O)n2-c2c1[nH]c(Cl)c2Cl ZINC000653882866 KK Annotated Unstable Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)NCc4ncccn4)cc3F)cc12 ZINC000653883012 KK Annotated Anodyne NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5cc(Cl)ccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000653883163 KK Annotated Mild NS(=O)(=O)c1ccc(-n2cc(/C=N\Nc3nc(-c4cc5ccccc5oc4=O)cs3)c(-c3ccc(Cl)cc3)n2)cc1 ZINC000653883209 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(-c4ccncc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653884634 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(-c4ccncc4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653884635 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cncnc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653884667 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cncnc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653884668 KK Annotated Anodyne COc1ccc(CNC(=O)CN2C(=O)Cc3c([nH]c4ccc(Br)cc34)-c3ccc(Cl)cc32)cc1 ZINC000653885953 KK Annotated Anodyne Cc1ccc(CNC(=O)CN2C(=O)Cc3c([nH]c4ccc(Br)cc34)-c3ccc(Cl)cc32)cc1 ZINC000653885958 KK Annotated Anodyne CCn1c(Cl)c(Cl)c2cc(-c3c(-c4cc(Br)c(OC)c(OC)c4)ncn3C)ccc21 ZINC000653886918 KK Annotated Anodyne O=C(Cc1ccc(OC(F)(F)F)cc1)NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 ZINC000653886929 KK Annotated Anodyne Cc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccc(Br)cc5)N42)c2ccccc2SC3)cc1 ZINC000653886949 KK Annotated Anodyne Cc1ccc([C@H]2C3=C(N=C4SC=C(c5ccc(Br)cc5)N42)c2ccccc2SC3)cc1 ZINC000653886952 KK Annotated Anodyne Clc1ccc([C@H]2C3=C(N=C4SC=C(c5ccc(Br)cc5)N42)c2ccccc2SC3)cc1 ZINC000653886994 KK Annotated Anodyne Clc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccc(Br)cc5)N42)c2ccccc2SC3)cc1 ZINC000653886997 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cc(F)ccc2OC)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653887069 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cc(F)ccc2OC)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653887076 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653887113 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653887121 KK Annotated Mild COc1cc2c(Oc3ccc(NC(=O)c4cn(-c5ccccc5F)nn4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 ZINC000653887126 KK Annotated Anodyne O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1ccc(C(F)(F)F)cc1 ZINC000653887818 KK Annotated Anodyne O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1ccc(O)cc1 ZINC000653887830 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653887960 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@@H](CN3CCSCC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653887966 KK Annotated Anodyne CNCCNC(=O)c1oc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1C ZINC000653888006 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888013 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cn([C@@H](CN3CCN(CCO)CC3)c3ccc4sc5ccccc5c4c3)nn2)cc1 ZINC000653888017 KK Annotated Anodyne O=c1oc2ccccc2cc1C1=CSC2=NC3=C(CSc4ccccc43)[C@@H](c3ccc(Cl)cc3)N12 ZINC000653888031 KK Annotated Anodyne O=c1oc2ccccc2cc1C1=CSC2=NC3=C(CSc4ccccc43)[C@H](c3ccc(Cl)cc3)N12 ZINC000653888032 KK Annotated Anodyne Cc1c(C(=O)NCCN(C)C)oc2ccc(N(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)cc12 ZINC000653888087 KK Annotated Anodyne N[C@@H](CO[P@](=O)(O)OC[C@H]1OCCC[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)O ZINC000653890275 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@]32OCc3ccccc3N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653890293 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@]32OCc3ccccc3N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653890295 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@@]32Cc3ccccc3N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653890324 KK Annotated Anodyne COc1cc(-c2nnc3n2CCC[C@]32Cc3ccccc3N(CC(F)(F)F)C2=O)ccc1-c1cnc(C)o1 ZINC000653890326 KK Annotated Anodyne C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OCc1cn([C@@H](Cc2c[nH]c3ccccc23)C(=O)O)nn1)c1ccnc2ccc(OC)cc12 ZINC000653890353 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc(C(=O)/C=C/c7ccc([N+](=O)[O-])cc7)cc6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653891122 KK Annotated Mild CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)O)c4C)c(C(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000653891138 KK Annotated Bother C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc(C(=O)/C=C/c7ccc(F)c(F)c7)cc6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653891148 KK Annotated Mild Cc1ccc(/C=C/C(=O)c2ccc(OCc3cn(CC(=O)O[C@H]4CC[C@@]5(C)C(=CC[C@H]6[C@@H]7CCC(=O)[C@@]7(C)CC[C@@H]65)C4)nn3)cc2)cc1 ZINC000653891152 KK Annotated Mild CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000653893443 KK Annotated Reactive CN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653893478 KK Annotated Reactive COC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653894737 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](NC(=O)OC)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653894779 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2ccc(-c4ccncc4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653894790 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2ccc(-c4ccncc4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653894791 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc(/C=C/C(=O)c7ccccc7)cc6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653894797 KK Annotated Mild O[C@H](CN1C[C@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653894800 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cccc(OC(F)(F)F)c2)(c2cccc(C(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653894801 KK Annotated Mild COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3oc(-c4ccc(-c5cnc([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OC/C=C/CCCO7)[nH]5)cc4)cc3c2)[nH]1)C(C)C ZINC000653894805 KK Annotated Anodyne COc1ccc(-n2c(-c3ccc(OCc4ccccc4)cc3)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC ZINC000653894843 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3oc(-c4ccc(-c5cnc([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCCCCCO7)[nH]5)cc4)cc3c2)[nH]1)C(C)C ZINC000653894875 KK Annotated Anodyne Oc1c(Br)cc(Br)c2nc3cc(Br)c(Br)cc3nc12 ZINC000653894988 KK Annotated Bother C/C(=C\CC/C(=C/CCC1=C[C@H](c2cc(O)ccc2O)OC1=O)CO)COC(=O)/C=C/c1ccc(O)cc1 ZINC000653894993 KK Annotated Anodyne C/C(=C\CC/C(=C/CCC1=C[C@@H](c2cc(O)ccc2O)OC1=O)CO)COC(=O)/C=C/c1ccc(O)cc1 ZINC000653894994 KK Annotated Anodyne O=C(CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccc(Cl)cc21)NCc1ccc(Cl)c(Cl)c1 ZINC000653894995 KK Annotated Anodyne CCOC(=O)c1oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccccc3Br)cc2c1C ZINC000653895409 KK Annotated Anodyne CCOC(=O)c1oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3cccc(Br)c3)cc2c1C ZINC000653895455 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CNc6cccc([N+](=O)[O-])c6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653895476 KK Annotated Bother COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2C)[nH]1)C(C)C ZINC000653895741 KK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)c4C)c(C(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000653895756 KK Annotated Bother O=C(Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)cc1)c1ncccc1Cl ZINC000653895757 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2O)[nH]1)C(C)C ZINC000653895762 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2C2CC2)[nH]1)C(C)C ZINC000653895792 KK Annotated Anodyne O=C(Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)cc1)c1cc(F)ccc1F ZINC000653895794 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(OC(F)(F)F)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653897410 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(OC(F)(F)F)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653897411 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2ccc(-c4ccc5cncn5c4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653897418 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2ccc(-c4ccc5cncn5c4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653897419 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cc(F)cc(OC)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653897436 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cc(F)cc(OC)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653897437 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000653899208 KK Annotated Reactive CN(C(=O)NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653899230 KK Annotated Reactive Cc1cc(NC(=O)c2ccccc2F)ccc1-n1ccc(=O)c2c(=O)n(Cc3ccc(Cl)cc3)ccc21 ZINC000653899256 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5ccc(F)c(F)c5)cc4C3)c2)nc2ccccc21 ZINC000653899266 KK Annotated Anodyne CN1CCN(c2c(F)cc3c(=O)c(C(=O)OCc4ccc(Cl)cc4)c(-c4ccc(F)cc4)n(C4CC4)c3c2F)CC1 ZINC000653899315 KK Annotated Anodyne CCCCCCCCCCCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1 ZINC000653899331 KK Annotated Mild CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3O)SC2=S)cc1 ZINC000653899374 KK Annotated Clean CC(=O)Oc1ccc(N2C(=O)/C(=C/N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccccc3O)SC2=S)cc1 ZINC000653899375 KK Annotated Clean C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc(C(=O)/C=C/c7ccc(Br)cc7)cc6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653899378 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc(C(=O)/C=C/c7ccc(Cl)c(Cl)c7)cc6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653899404 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(COc6ccc(/C=C/C(=O)c7ccc(F)cc7)cc6)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653899420 KK Annotated Mild COc1cc(/C=C/C(=O)OC/C=C/c2cc(OC)c(O[C@@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](OC)c3ccc(O)c(OC)c3)c(OC)c2)ccc1O ZINC000653900921 KK Annotated Anodyne CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([C@@H](O)CN2C(=O)N[C@](C)(c3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000653900935 KK Annotated Anodyne CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([C@H](O)CN2C(=O)N[C@](C)(c3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000653900936 KK Annotated Anodyne CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([C@H](O)CN2C(=O)N[C@@](C)(c3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000653900937 KK Annotated Anodyne CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1Oc1ccc([C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(OC(C)C)cc3)C2=O)cc1 ZINC000653900938 KK Annotated Anodyne Cc1csc(C[C@@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3c(F)cccc32)n1 ZINC000653901692 KK Annotated Mild Cc1csc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3c(F)cccc32)n1 ZINC000653901693 KK Annotated Mild CS(=O)(=O)c1cccc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653901694 KK Annotated Anodyne CS(=O)(=O)c1cccc(C[C@@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653901695 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cccc(Br)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653901710 KK Annotated Anodyne O[C@H](CN1C[C@@](Cc2cccc(Br)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653901712 KK Annotated Anodyne O=C(O)c1cccc(C[C@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653901739 KK Annotated Anodyne O=C(O)c1cccc(C[C@@]2(c3cccc(OC(F)(F)F)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1 ZINC000653901741 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(-c4noc(C)n4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653901812 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(-c4noc(C)n4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653901813 KK Annotated Anodyne Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ccc(Cl)c(Cl)c6)CC5)cc4C3)ccc2Cl)nc2ccccc21 ZINC000653903311 KK Annotated Anodyne Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCN(c6ncccn6)CC5)cc4C3)ccc2Cl)nc2ccccc21 ZINC000653903357 KK Annotated Anodyne Cn1c(-c2cc(N3CCc4sc(C(=O)Nc5cccnc5)cc4C3)ccc2Cl)nc2ccccc21 ZINC000653903387 KK Annotated Anodyne Oc1ccc(Cc2c(Br)[nH]c3cc(Br)c(Br)cc23)cc1Br ZINC000653903439 KK Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(S(=O)(=O)c5ccc(Br)cc5)CC4)cc3)oc2c1 ZINC000653905144 KK Annotated Anodyne Cc1ccc(NC(=O)c2cc3c(s2)CCN(c2cccc(-c4nc5ccccc5n4C)c2)C3)cc1Cl ZINC000653905145 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](NC(C)=O)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653905154 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)Nc5ccc(F)c(Br)c5)cc4C3)c2)nc2ccccc21 ZINC000653905255 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](OC)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653905294 KK Annotated Anodyne O=c1c(-c2cccc(C(F)(F)F)c2)coc2cc3occ(-c4cccc(C(F)(F)F)c4)c(=O)c3c(O)c12 ZINC000653905711 KK Annotated Bother O=C(NCCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905730 KK Annotated Anodyne O=C(NCCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000653905753 KK Annotated Anodyne O[C@H](CN1C[C@](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653905754 KK Annotated Mild O[C@H](CN1C[C@@](Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cccc(OC(F)(F)F)c2)c2ccccc21)C(F)(F)F ZINC000653905755 KK Annotated Mild Cc1c(C(=O)NCCN(C)C)oc2ccc(N(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc12 ZINC000653905757 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(N4CCOCC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653905782 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(N4CCOCC4)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653905783 KK Annotated Anodyne CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000653907623 KK Annotated Reactive CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000653907629 KK Annotated Reactive C[C@@H]1CCc2[nH]c3cc(Cl)ccc3c(=NCCCCCCN=c3c4c([nH]c5cc(Cl)ccc35)CC[C@@H](C)C4)c2C1 ZINC000653907642 KK Annotated Anodyne C[C@H]1CCc2[nH]c3cc(Cl)ccc3c(=NCCCCCCN=c3c4c([nH]c5cc(Cl)ccc35)CC[C@@H](C)C4)c2C1 ZINC000653907643 KK Annotated Anodyne C[C@H]1CCc2[nH]c3cc(Cl)ccc3c(=NCCCCCCN=c3c4c([nH]c5cc(Cl)ccc35)CC[C@H](C)C4)c2C1 ZINC000653907644 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000653907654 KK Annotated Reactive CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)OCc2ccc(Cl)cc2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000653909248 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc(C)c(Cl)c1 ZINC000653909253 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1Br ZINC000653912062 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1I ZINC000653912080 KK Annotated Anodyne COCCO[C@@H]1C[C@@H](c2ncc(-c3ccc(-c4ccc5c(ccc6nc([C@@H]7[C@H]8CC[C@H](C8)N7C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c65)c4)cc3)[nH]2)N(C(=O)[C@@H](NC(=O)OC)C(C)C)C1 ZINC000653912084 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000653912187 KK Annotated Bother COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6CC[C@H]7C(=O)N[C@@H](C(C)C)C(=O)N76)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653912198 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2ccc3cc(-c4ccc(-c5cnc([C@@H]6C[C@@H]7CN6C(=O)[C@H](C(C)C)NC(=O)OCCC/C=C/CO7)[nH]5)cc4)ccc3c2[nH]1)C(C)C ZINC000653912214 KK Annotated Anodyne O=c1c(-c2ccccc2C(F)(F)F)coc2cc3occ(-c4ccccc4C(F)(F)F)c(=O)c3c(O)c12 ZINC000653912216 KK Annotated Bother COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2cccc(C(=O)O)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653912224 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2cccc(C(=O)O)c2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653912225 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7c(Cl)ccc(Cl)c76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653912766 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@H](c2ccc(-c4c(C)nn(C)c4C)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653912801 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)O[C@@H](c2ccc(-c4c(C)nn(C)c4C)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C ZINC000653912813 KK Annotated Anodyne Cn1ncc(Cl)c1-c1c(Cl)c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)n(C)c1Cl ZINC000653912869 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)Cn5cc(CN6C(=O)C(=O)c7cccc(Cl)c76)nn5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000653912888 KK Annotated Anodyne Cn1ncc(Br)c1-c1oc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1Br ZINC000653912892 KK Annotated Anodyne N#CC1=C(N)OC(c2ccc(-n3c(-c4ccco4)nc4ccccc4c3=O)cc2)=C[C@@H]1c1ccc(Cl)cc1 ZINC000653912907 KK Annotated Reactive N#CC1=C(N)OC(c2ccc(-n3c(-c4ccco4)nc4ccccc4c3=O)cc2)=C[C@H]1c1ccc(Cl)cc1 ZINC000653912908 KK Annotated Reactive Cn1ncc(Br)c1-c1cc(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CCNCC2)n(C)c1Br ZINC000653912909 KK Annotated Anodyne C[C@@H]1CCc2c([nH]c3ccc([N+](=O)[O-])cc3c2=NCCCCCCN=c2c3c([nH]c4ccc([N+](=O)[O-])cc24)C[C@H](C)CC3)C1 ZINC000653913842 KK Annotated Bother C[C@H]1CCc2c([nH]c3ccc([N+](=O)[O-])cc3c2=NCCCCCCN=c2c3c([nH]c4ccc([N+](=O)[O-])cc24)C[C@H](C)CC3)C1 ZINC000653913844 KK Annotated Bother C[C@H]1CCc2c([nH]c3ccc([N+](=O)[O-])cc3c2=NCCCCCCN=c2c3c([nH]c4ccc([N+](=O)[O-])cc24)C[C@@H](C)CC3)C1 ZINC000653913848 KK Annotated Bother COc1ccc2[nH]c3c(c(=NCCCCCCCCCN=c4c5c([nH]c6ccc(OC)cc46)CCCC5)c2c1)CCCC3 ZINC000653913878 KK Annotated Anodyne CC1(C)CCc2c([nH]c3ccc([N+](=O)[O-])cc3c2=NCCCCCCN=c2c3c([nH]c4ccc([N+](=O)[O-])cc24)CC(C)(C)CC3)C1 ZINC000653913884 KK Annotated Bother CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 ZINC000653913885 KK Annotated Reactive CCO[C@@H]1CCc2[nH]c3cc(Cl)ccc3c(=NCCCCCCCCCN=c3c4c([nH]c5cc(Cl)ccc35)CC[C@@H](OCC)C4)c2C1 ZINC000653913886 KK Annotated Anodyne CCO[C@H]1CCc2[nH]c3cc(Cl)ccc3c(=NCCCCCCCCCN=c3c4c([nH]c5cc(Cl)ccc35)CC[C@@H](OCC)C4)c2C1 ZINC000653913887 KK Annotated Anodyne CCO[C@H]1CCc2[nH]c3cc(Cl)ccc3c(=NCCCCCCCCCN=c3c4c([nH]c5cc(Cl)ccc35)CC[C@H](OCC)C4)c2C1 ZINC000653913888 KK Annotated Anodyne CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 ZINC000653913889 KK Annotated Reactive N[C@@H](CO[P@](=O)(O)O[C@@H]1CCCO[C@@H]1COC(=O)CCc1ccccc1OCc1cccc(Oc2ccc(Cl)cc2)c1)C(=O)O ZINC000653914363 KK Annotated Anodyne COc1ccc(CCN(CCCc2cccc(I)c2)CCc2ccc3c(c2)OCO3)cc1OC ZINC000653914378 KK Annotated Anodyne O=C(Nc1ccc(-n2ccc(=O)c3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c(C(F)(F)F)c1)c1cc(F)ccc1F ZINC000653914430 KK Annotated Anodyne CCCCc1nc(Cl)c(/C=N/N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)n1Cc1ccccc1F ZINC000653914432 KK Annotated Mild CN(C)CCOc1ncc(Nc2cc(N3CC[C@H](c4ccccc4Cl)C3)nc3cc(F)c(F)cc23)cc1F ZINC000653915591 KK Annotated Anodyne CN(C)CCOc1ncc(Nc2cc(N3CC[C@@H](c4ccccc4Cl)C3)nc3cc(F)c(F)cc23)cc1F ZINC000653915596 KK Annotated Anodyne Cn1c(-c2cccc(N3CCc4sc(C(=O)N5CCN(c6ccccc6F)CC5)cc4C3)c2)nc2ccccc21 ZINC000653915598 KK Annotated Anodyne COc1cc2nc(N3CC[C@H](c4ccccc4Cl)C3)cc(Nc3cnc(NCCN(C)C)c(F)c3)c2cc1OC ZINC000653915647 KK Annotated Anodyne COc1cc2nc(N3CC[C@@H](c4ccccc4Cl)C3)cc(Nc3cnc(NCCN(C)C)c(F)c3)c2cc1OC ZINC000653915653 KK Annotated Anodyne Nc1ccc(OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653916016 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OCCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653916033 KK Annotated Anodyne COC1CCN(c2cc(OCc3cc(F)c(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)CC1 ZINC000653916047 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](ON2C(C)(C)CCCC2(C)C)[C@H]1c1ccc(C)cc1 ZINC000653916368 KK Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)cc3)oc2c1 ZINC000653916390 KK Annotated Anodyne CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H](ON2C(C)(C)CCCC2(C)C)[C@H]1c1ccc(F)cc1 ZINC000653916391 KK Annotated Anodyne CCN(CC)c1ccc2cc(C(=O)c3ccc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)cc3)oc2c1 ZINC000653916413 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](N)C[C@H]1c1ncc(-c2ccc(-c3ccc4c(ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c54)c3)cc2)[nH]1)C(C)C ZINC000653916427 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)Nc1ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653917165 KK Annotated Anodyne Cc1cc(C2(C(=O)O)CC2)ccc1-c1ccc(N(CC(F)(F)F)S(=O)(=O)c2cccc3c2ccn3C)cc1 ZINC000653917170 KK Annotated Anodyne CNC(=O)c1ccc(F)c(-c2ccc(N(CC(F)(F)F)S(=O)(=O)c3cccc4c3ccn4C)cc2)c1 ZINC000653917180 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1ccc(OCCOCCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653917181 KK Annotated Anodyne COc1ccc(NC(=O)Nc2ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc3ccc(-c4cc(=S)ss4)cc3)c2)cc1 ZINC000653917183 KK Annotated Anodyne O=C(Nc1ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1)Nc1ccc(F)cc1F ZINC000653917185 KK Annotated Anodyne COc1ccc(C(=O)c2ccc3c(c2)Sc2cc(C(=O)c4ccc(OC)c(F)c4)ccc2N3C)cc1F ZINC000653917190 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653917203 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc3ccc(-c4cc(=S)ss4)cc3)c2)c1 ZINC000653918428 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918430 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918431 KK Annotated Anodyne O=C(Nc1cccc(Cl)c1)Nc1ccc(OC(=O)CCCO[N+](=O)[O-])c(C(=O)Oc2ccc(-c3cc(=S)ss3)cc2)c1 ZINC000653918445 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918496 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918500 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918505 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918506 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918515 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918516 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918523 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918524 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918526 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918527 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918535 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918536 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918538 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918539 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918550 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCO[N+](=O)[O-])cc1OC ZINC000653918551 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918562 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCO[N+](=O)[O-])cc1OC ZINC000653918563 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918567 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918568 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918571 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918572 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918586 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918587 KK Annotated Anodyne CNC(=O)c1cccc(NC(=O)[C@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000653918597 KK Annotated Anodyne CNC(=O)c1cccc(NC(=O)[C@@H]2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1 ZINC000653918598 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000653918600 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OC)cc1OC ZINC000653918601 KK Annotated Anodyne Cc1ccccc1OCC(=O)N1CCN(C(c2ccc(Br)cc2)c2ccc(Br)cc2)CC1 ZINC000653918606 KK Annotated Anodyne Cc1ccc(OCC(=O)NN2C(c3ccccc3)=C(c3ccccc3)O[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000653918607 KK Annotated Anodyne Cc1ccc(OCC(=O)NN2C(c3ccccc3)=C(c3ccccc3)O[C@]23C(=O)Nc2ccccc23)cc1 ZINC000653918608 KK Annotated Anodyne O=C1Nc2nc(Nc3ccccc3)nc(On3nnc4ccccc43)c2C[C@H]1c1ccc(Cl)cc1Cl ZINC000653918633 KK Annotated Anodyne O=C1Nc2nc(Nc3ccccc3)nc(On3nnc4ccccc43)c2C[C@@H]1c1ccc(Cl)cc1Cl ZINC000653918634 KK Annotated Anodyne O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 ZINC000653918649 KK Annotated Anodyne CCCC[C@@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918657 KK Annotated Anodyne CCCC[C@H](OC(=O)CN1CCN(CCCCCOc2ccc(-c3cc(=S)ss3)cc2)CC1)c1ccccc1C(=O)Oc1ccc(/C=C/C(=O)OCCCCCCO[N+](=O)[O-])cc1OC ZINC000653918658 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)NN1C(c2ccccc2)=C(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000653918660 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)NN1C(c2ccccc2)=C(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000653918661 KK Annotated Anodyne Cc1ccccc1OCC(=O)NN1C(c2ccccc2)=C(c2ccccc2)O[C@@]12C(=O)Nc1ccccc12 ZINC000653918666 KK Annotated Anodyne Cc1ccccc1OCC(=O)NN1C(c2ccccc2)=C(c2ccccc2)O[C@]12C(=O)Nc1ccccc12 ZINC000653918667 KK Annotated Anodyne CC1CCN(c2cc(OCc3cc(F)c(Oc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)nc(=O)n2C)CC1 ZINC000653919243 KK Annotated Anodyne COCCN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C ZINC000653919265 KK Annotated Anodyne Cn1c(N2CCCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653919266 KK Annotated Anodyne Cn1c(N2CCCCC2)cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc1=O ZINC000653919292 KK Annotated Anodyne CN(c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C)C1CC1 ZINC000653919308 KK Annotated Anodyne CCN(CC)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C ZINC000653919309 KK Annotated Anodyne CCOC(=O)CN(C)c1cc(OCc2cc(F)c(Oc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)nc(=O)n1C ZINC000653919310 KK Annotated Anodyne NC(=O)c1ccc(C(F)(F)F)cc1N1CCc2[nH]/c(=N/S(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)sc2C1 ZINC000066033009 KK Annotated Mild O=C1c2ccccc2C[C@]12[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000066058779 KK Annotated Bother CC(=O)O[C@H]1CC[C@H]2[C@@H]3[C@H](Sc4ccc(Br)cc4)C(=O)c4cc(O)ccc4[C@H]3CC[C@]12C ZINC000066058937 KK Annotated Anodyne CC(C)COc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066065898 KK Annotated Anodyne Cc1ccccc1-c1cnc(N(C)c2ccc(Cl)cc2)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O ZINC000066065949 KK Annotated Anodyne C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000066066100 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000066066101 KK Annotated Mild COc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066066214 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccc(Cl)cc4Cl)CC3)cc1C)C2 ZINC000066066449 KK Annotated Anodyne Cc1ccc(-c2nc(CC(=O)N/N=C\c3ccc(OCC(=O)c4sc(-c5ccccc5)nc4C)cc3)cs2)cc1 ZINC000066066504 KK Annotated Reactive C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)c(C)c6CC)c(C)c5C(=O)C4)[C@@H](CCC(=O)NCCN)[C@@H]3C ZINC000066066518 KK Annotated Bother COc1cc(C(=O)/C=C/c2ccccn2)cc(CN2CCN(c3ccc(C(=O)/C=C/c4ccccn4)cc3)CC2)c1O ZINC000066066559 KK Annotated Mild CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)c(F)c2)CC1 ZINC000066066565 KK Annotated Anodyne CCOc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066066573 KK Annotated Anodyne CC(C)Oc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066066574 KK Annotated Anodyne CCCOc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066066575 KK Annotated Anodyne CC(C)Oc1ccc(F)cc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)nc1 ZINC000066073663 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(N4CC[C@H](N5CCN(c6ccc(C(F)(F)F)cc6)CC5)C4=O)cc3)oc12 ZINC000066073711 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(N4CC[C@@H](N5CCN(c6ccc(C(F)(F)F)cc6)CC5)C4=O)cc3)oc12 ZINC000066073712 KK Annotated Mild O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4ccc5c(c4)OCO5)ccc3O)CC2)cc1 ZINC000066073809 KK Annotated Mild O=C(/C=C/c1cccs1)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4cccs4)ccc3O)CC2)cc1 ZINC000066073814 KK Annotated Mild CCOC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)Cc2cccc(C3(OC)CCOCC3)c2)c1 ZINC000066073915 KK Annotated Anodyne O=C(CNC(=O)OCc1ccccc1)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066074014 KK Annotated Mild O=C(CNC(=O)OCc1ccccc1)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066074015 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2cc3c(c(OS(=O)(=O)c4ccc(C)cc4)c2)C(=O)O[C@H](C)CCCCCCC3)cc1 ZINC000066074144 KK Annotated Anodyne O=C(CN1CCC[C@H]1C(F)(F)F)Nc1ccc(Cc2ccc(NC(=O)CN3CCC[C@H]3C(F)(F)F)cc2)cc1 ZINC000066074154 KK Annotated Anodyne COC1(c2cccc(CN(c3ccc(Cl)cc3OCc3ccccc3)S(C)(=O)=O)c2)CCOCC1 ZINC000066074256 KK Annotated Anodyne Clc1ccc(-c2nnc3n2Nc2c(c(-c4ccc(Br)cc4)nn2-c2ccccc2)C=N3)cc1 ZINC000066074296 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc3n2Nc2c(c(-c4ccc(Br)cc4)nn2-c2ccccc2)C=N3)cc1 ZINC000066074297 KK Annotated Bother C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)NC1CCCCC1 ZINC000066074485 KK Annotated Anodyne CCO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066074525 KK Annotated Anodyne CCO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066074526 KK Annotated Anodyne COc1cc(-c2nnc(Cn3c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)c3-c3ccccc3)o2)ccc1O ZINC000066074693 KK Annotated Clean Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(NC3CC3)cc2)c(C)c1 ZINC000066074723 KK Annotated Anodyne FC(F)(F)c1ccc(CN[C@H]2CCCC[C@H]2NCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000066074801 KK Annotated Mild FC(F)(F)c1ccc(CN[C@H]2CCCC[C@@H]2NCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000066074802 KK Annotated Mild FC(F)(F)c1ccc(CN[C@@H]2CCCC[C@H]2NCc2ccc(C(F)(F)F)cc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000066074803 KK Annotated Mild FC(F)(F)c1ccc(C(F)(F)F)c(CN[C@H]2CCCC[C@H]2NCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1 ZINC000066074805 KK Annotated Mild FC(F)(F)c1ccc(C(F)(F)F)c(CN[C@H]2CCCC[C@@H]2NCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1 ZINC000066074806 KK Annotated Mild FC(F)(F)c1ccc(C(F)(F)F)c(CN[C@@H]2CCCC[C@H]2NCc2cc(C(F)(F)F)ccc2C(F)(F)F)c1 ZINC000066074809 KK Annotated Mild COc1ccc(/C=N/NC(=O)Cn2c(-c3ccc(N(C)C)cc3)cc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000066074844 KK Annotated Reactive CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000066075092 KK Annotated Anodyne Cc1noc(C)c1CN1CCC(CCOc2ccc(-c3cc4c(ncn4C)c(C#N)n3)cc2C(F)(F)F)CC1 ZINC000066075326 KK Annotated Mild COc1ccc(-c2nnc(Cn3c(-c4ccc(N(C)C)cc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000066075332 KK Annotated Clean C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OC)O1 ZINC000066075389 KK Annotated Mild C=C(C)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OCC)O1 ZINC000066075390 KK Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066075392 KK Annotated Anodyne CC(C)(C)c1cc(Nc2cc(Cl)nc(S[C@H](C(=O)O)c3cccc4ccccc34)n2)cc(C(C)(C)C)c1 ZINC000066075491 KK Annotated Anodyne CC(C)(C)c1cc(Nc2cc(Cl)nc(S[C@@H](C(=O)O)c3cccc4ccccc34)n2)cc(C(C)(C)C)c1 ZINC000066075494 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)CN(C)[C@@]12C(=O)c1cccc3cccc2c13 ZINC000066075529 KK Annotated Anodyne C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066075581 KK Annotated Mild C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066075583 KK Annotated Mild O=C(Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000066075586 KK Annotated Mild O=C(Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000066075587 KK Annotated Mild N=C(NC1CCCC1)c1ccc(-c2sc(-c3ccc(C(=N)NC4CCCC4)cc3)c3c2OCCO3)cc1 ZINC000066075672 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)N2CCC[C@@H]2[C@@]12C(=O)c1cccc3cccc2c13 ZINC000066075873 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)N2CCC[C@H]2[C@@]12C(=O)c1cccc3cccc2c13 ZINC000066075875 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)N2CCC[C@@H]2[C@@]12C(=O)c1cccc3cccc2c13 ZINC000066075876 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@@H]([C@H]2[C@@H](c3ccccc3)C(=O)N2c2ccc(OC)cc2)N2CCC[C@H]2[C@@]12C(=O)c1cccc3cccc2c13 ZINC000066075878 KK Annotated Anodyne COC1=C(OC)[C@]2(OC)c3c(OC)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](O)C[C@H](c1ccccc1)O4 ZINC000066076063 KK Annotated Mild Cc1cc(F)ccc1[C@H]1C[C@@H](NC2CC2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000066076197 KK Annotated Mild C=C(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12 ZINC000066076453 KK Annotated Mild O=C(Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000066076488 KK Annotated Mild O=C(Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@@H]1CCCN1C(=O)CCc1ccccc1 ZINC000066076491 KK Annotated Mild COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5c(Cl)c[nH]c45)c3F)NC2(C)C)cc1Cl ZINC000066076532 KK Annotated Anodyne C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc2c(c1)OCO2 ZINC000066076534 KK Annotated Anodyne O=C(Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)OCc1ccccc1 ZINC000066076761 KK Annotated Mild O=C(Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)OCc1ccccc1 ZINC000066076763 KK Annotated Mild COC1=C(OC)[C@]2(OC)c3c(OC)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](OC)C[C@H](c1ccccc1)O4 ZINC000066076812 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3cccnc3)C2=O)cc1 ZINC000066076864 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3cccnc3)C2=O)cc1 ZINC000066076866 KK Annotated Mild COc1ccc(CN2C(=O)/C(=N\c3cccc(CC(=O)O)c3)c3cc(Br)cc(Br)c32)cc1 ZINC000066076925 KK Annotated Mild CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3nc(C(=O)O)ccc3c2)cc1 ZINC000066076980 KK Annotated Anodyne CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cccc(C)c2)CC1 ZINC000066077275 KK Annotated Anodyne Cc1cc(OCc2c(-c3c(Cl)cccc3Cl)noc2C(C)C)ccc1-c1ccc2nc(C(=O)O)ccc2c1 ZINC000066077321 KK Annotated Anodyne Cc1cc(C#N)cc2nc(-c3ccc([C@H](O)CCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066077555 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc([C@@H](O)CCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066077556 KK Annotated Mild CC(C)NC(=O)N(Cc1cccc(C#Cc2ccc(Cl)cc2)c1)Cc1cccc(C#Cc2cccnc2)c1 ZINC000066077870 KK Annotated Mild COc1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)cc1Cl ZINC000066077958 KK Annotated Anodyne Cc1cc(C#N)cc2nc(-c3ccc(C#CCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066078189 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(C(=O)CCN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066078191 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(CC(=O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066078194 KK Annotated Mild C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(N(C)C)cc1 ZINC000066078257 KK Annotated Anodyne CC(=O)c1ccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)cc1 ZINC000066078260 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3cc(C(=O)O)ncc3c2)cc1 ZINC000066078427 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc1cn(CCCCCc2c[nH]c(N)n2)nn1)CCc1ccccn1 ZINC000066078679 KK Annotated Anodyne Cc1ccsc1/C=C/C(=O)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4sccc4C)ccc3O)CC2)cc1 ZINC000066078812 KK Annotated Mild O=C(/C=C/c1ccco1)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4ccco4)ccc3O)CC2)cc1 ZINC000066078815 KK Annotated Mild C[C@H](OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078937 KK Annotated Mild C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078938 KK Annotated Mild C[C@H](OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078941 KK Annotated Mild C[C@@H](OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078943 KK Annotated Mild O=C(CCc1ccccc1)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078945 KK Annotated Mild O=C(CCc1ccccc1)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078946 KK Annotated Mild COC(=O)CCCC(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078947 KK Annotated Mild COC(=O)CCCC(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078950 KK Annotated Mild C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078952 KK Annotated Mild C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066078953 KK Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066079125 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066079127 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)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 ZINC000066079253 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(NC3CC3)c2)c(C)c1 ZINC000066079518 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4Cl)CC3)cc1C)C2 ZINC000066079582 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4cc(C(=O)O)ccc4OC)CC3)cc1C)C2 ZINC000066079583 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ncccc4OC)CC3)cc1C)C2 ZINC000066079585 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2 ZINC000066079587 KK Annotated Anodyne Cc1cc(OCCc2cc(Cl)ccc2OCC(=O)N[C@@H]2CCCNC2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079638 KK Annotated Anodyne Cc1cc(OCCc2cc(Cl)ccc2OCC(=O)N[C@H]2CCCNC2)cc(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000066079640 KK Annotated Anodyne C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc4c3OCCO4)N(Cc3ccco3)C2=O)cc1 ZINC000066079924 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc4c3OCCO4)N(Cc3ccco3)C2=O)cc1 ZINC000066079927 KK Annotated Mild CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(Cl)cc2)CC1 ZINC000066079973 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3[nH]c(C(=O)O)cc(=O)c3c2)cc1 ZINC000066080126 KK Annotated Anodyne Cc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066080128 KK Annotated Anodyne CCc1cc(C(=O)O)nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc12 ZINC000066080131 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(C[C@@H](C)NC(=O)Cc3ccccc3OC)cc1C)C2=O ZINC000066080247 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(C[C@H](C)NC(=O)Cc3ccccc3OC)cc1C)C2=O ZINC000066080249 KK Annotated Anodyne COc1ccc(-c2nnc(Cn3c(-c4ccc(O)c(OC)c4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000066080371 KK Annotated Anodyne COc1ccc(-c2nnc(Cn3c(-c4ccc(OC)cc4)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000066080374 KK Annotated Anodyne COc1ccccc1CC(=O)NCCc1ccc(N2Cc3c(c(OC(F)F)c4ccccc4c3OC(F)F)C2=O)c(C)c1 ZINC000066080474 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2 ZINC000066080477 KK Annotated Anodyne Cc1ccc(-c2nc(CC(=O)N/N=C\c3ccc(OCc4csc(-c5ccccc5)n4)cc3)cs2)cc1 ZINC000066080489 KK Annotated Reactive Cc1ccc(-c2nc(CC(=O)N/N=C/c3cccc(OCc4csc(-c5ccccc5)n4)c3)cs2)cc1 ZINC000066080494 KK Annotated Reactive Cc1ccc(-c2nc(CC(=O)N/N=C/c3ccccc3OCc3csc(-c4ccc(Br)cc4)n3)cs2)cc1 ZINC000066080499 KK Annotated Reactive C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc4ncccc34)N(Cc3ccco3)C2=O)cc1 ZINC000066080540 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc4ncccc34)N(Cc3ccco3)C2=O)cc1 ZINC000066080544 KK Annotated Mild CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2ccc(C)cc2)CC1 ZINC000066097181 KK Annotated Anodyne O=C(Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000066097372 KK Annotated Mild O=C(Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000066097375 KK Annotated Mild C[C@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066097380 KK Annotated Mild C[C@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066097381 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000066097498 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000066097501 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000066097506 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000066097511 KK Annotated Mild C[C@H]1c2c(cc(F)c(-c3cccc4c(Cl)c[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)Nc1ccc(C#N)cc1 ZINC000066097596 KK Annotated Mild Cc1ccc(-c2nc(CC(=O)N/N=C\c3ccc(OCc4csc(-c5ccc(Br)cc5)n4)cc3)cs2)cc1 ZINC000066097721 KK Annotated Reactive CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc1cn(CCCCCCCc2c[nH]c(N)n2)nn1)CCc1ccccn1 ZINC000066097782 KK Annotated Anodyne O=C(COCc1ccccc1)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066097899 KK Annotated Mild O=C(COCc1ccccc1)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000066097901 KK Annotated Mild COc1cc(C(=O)/C=C/c2sccc2C)cc(CN2CCN(c3ccc(C(=O)/C=C/c4sccc4C)cc3)CC2)c1O ZINC000066097968 KK Annotated Mild CN(C)c1ccc(/C=N/NC(=O)Cn2c(-c3ccccc3O)cc(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000066098011 KK Annotated Reactive COCCN[C@H]1CCN(C(=O)N(C)[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1 ZINC000066098046 KK Annotated Mild N#Cc1cc(C2CC2)c2oc(-c3ccc(C(=O)NCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)nc2c1 ZINC000066098082 KK Annotated Mild COc1nc([N+](=O)[O-])cn1C[C@H](OCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000066098125 KK Annotated Bother COc1nc([N+](=O)[O-])cn1C[C@@H](OCc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)cc1Cl ZINC000066098128 KK Annotated Bother Cn1cccc1/C=C/C(=O)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4cccn4C)ccc3O)CC2)cc1 ZINC000066098200 KK Annotated Mild Cc1ccc(/C=C/C(=O)c2ccc(N3CCN(Cc4cc(C(=O)/C=C/c5ccc(C)o5)ccc4O)CC3)cc2)o1 ZINC000066098206 KK Annotated Mild CC(C)c1cccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4ccccc4Cl)c2C3=O)c1 ZINC000066098610 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(NC(C)C)cc2)c(C)c1 ZINC000066098631 KK Annotated Anodyne CC(=O)c1cccc(NC(=O)O[C@@H]2[C@@H](C)c3c(cc(F)c(-c4cccc5cc[nH]c45)c3F)NC2(C)C)c1 ZINC000066098739 KK Annotated Anodyne Cc1nc(-c2ccccc2)sc1C(=O)COc1ccc(/C=N\NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000066098772 KK Annotated Reactive N#Cc1cc(C(F)(F)F)c2oc(-c3ccc(C(=O)NCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)nc2c1 ZINC000066098799 KK Annotated Mild O=C(/C=C/c1cccnc1)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4cccnc4)ccc3O)CC2)cc1 ZINC000066098867 KK Annotated Mild O=C(/C=C/c1ccccn1)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4ccccn4)ccc3O)CC2)cc1 ZINC000066098869 KK Annotated Mild CCOc1c2c(c(OCC)c3ncccc13)CN(c1ccc(CCNC(=O)Cc3ccccc3OC)cc1C)C2=O ZINC000066099083 KK Annotated Anodyne Cc1ccc(OC(C)C)c(-c2ccc(N3CCC(CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)CC3)nc2)c1 ZINC000066099288 KK Annotated Mild CC1=C2C(=CO[C@@H](C)[C@@H]2C)C(=O)[C@@](Cc2ccccc2)(C[C@]2(Cc3ccccc3)C(=O)C3=CO[C@@H](C)[C@H](C)C3=C(C)C2=O)C1=O ZINC000066099582 KK Annotated Mild C[C@]1(c2ccc(Br)cc2)C(=O)C(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000066099775 KK Annotated Anodyne C[C@@]1(c2ccc(Br)cc2)C(=O)C(c2ccc(Br)cc2)=Nc2nc3ccccc3n21 ZINC000066099776 KK Annotated Anodyne C[C@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000066099778 KK Annotated Reactive C[C@@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000066099780 KK Annotated Reactive C[C@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000066099782 KK Annotated Reactive C[C@@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000066099783 KK Annotated Reactive NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(Cl)cc3Cl)c3c(O)nc(-c4ccccc4)nc32)cc1 ZINC000066099788 KK Annotated Mild NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(Cl)cc3Cl)c3c(O)nc(-c4ccccc4)nc32)cc1 ZINC000066099790 KK Annotated Mild CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)Cc2ccc(F)cc2)c2cc(Cl)cc(Cl)c2)CC1 ZINC000066099945 KK Annotated Anodyne Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)ccc3O)c2O)c1O ZINC000066100026 KK Annotated Anodyne O=C(O)Cn1cnc2c(Oc3cccc(Br)c3)nc(NCc3ccc(C4CCCCC4)cc3)nc21 ZINC000066100038 KK Annotated Anodyne COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2Cc2ccccc2C3)cc1OC ZINC000066100077 KK Annotated Anodyne COc1cc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2Cc2ccccc2C3)cc(OC)c1OC ZINC000066100079 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)c2nc(C(F)(F)F)cc(C)c2c1-c1cccc(C(F)(F)F)c1 ZINC000066100131 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)OC(C)(C)C)c2nc(C(F)(F)F)cc(C)c2c1-c1cccc(C(F)(F)F)c1 ZINC000066100133 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)c2nc(C(F)(F)F)cc(C)c2c1-c1ccc(C(F)(F)F)cc1 ZINC000066100135 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)OC(C)(C)C)c2nc(C(F)(F)F)cc(C)c2c1-c1ccc(C(F)(F)F)cc1 ZINC000066100137 KK Annotated Anodyne COc1cccc(-c2c(OC)cc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)c3nc(C(F)(F)F)cc(C)c23)c1 ZINC000066100138 KK Annotated Anodyne COc1cccc(-c2c(OC)cc(N[C@H](C)CCCNC(=O)OC(C)(C)C)c3nc(C(F)(F)F)cc(C)c23)c1 ZINC000066100140 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)OC(C)(C)C)c2nc(C(F)(F)F)cc(C)c2c1-c1cccc(C)c1 ZINC000066100142 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)OC(C)(C)C)c2nc(C(F)(F)F)cc(C)c2c1-c1cccc(C)c1 ZINC000066100144 KK Annotated Anodyne COc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000066100417 KK Annotated Clean O=C(O)c1cc(-c2ccc(/C=C3\SC(=S)N(c4cccc(C(F)(F)F)c4)C3=O)[nH]2)ccc1Cl ZINC000066100421 KK Annotated Clean C[C@]1(c2cccc(Br)c2)C(=O)C(c2cccc(Br)c2)=Nc2nc3ccccc3n21 ZINC000066100444 KK Annotated Anodyne C[C@@]1(c2cccc(Br)c2)C(=O)C(c2cccc(Br)c2)=Nc2nc3ccccc3n21 ZINC000066100446 KK Annotated Anodyne Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CCN/C(O)=N/S(=O)(=O)c4ccccc4Cl)cc3)c2c1 ZINC000066100717 KK Annotated Mild COc1ccccc1C1(/C(O)=N/S(=O)(=O)Cc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)CC1 ZINC000066100720 KK Annotated Mild Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(CS(=O)(=O)/N=C(\O)C4(c5c(Cl)cccc5Cl)CC4)cc3)c2c1 ZINC000066100723 KK Annotated Mild CC1=CCCN(CCCC#Cc2cc(C#CCCCN3CCC=C(C)C3)cc(C#CCCCN3CCC=C(C)C3)c2)C1 ZINC000066100791 KK Annotated Mild Cc1ccccc1-c1c2n(c(=O)n(CCCCN3CCC(c4c(C)[nH]c5ccccc45)CC3)c1=O)CCCC2 ZINC000066101062 KK Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)ccc(C)c34)cc2)cc1 ZINC000066101090 KK Annotated Mild O=C(/C=C/c1ccc2c(c1)OCO2)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O ZINC000066101198 KK Annotated Anodyne COc1ccc(/C=C/C(=O)OCCc2c(-c3ccccc3Cl)c3cc(Cl)ccc3[nH]c2=O)cc1OC ZINC000066101200 KK Annotated Anodyne CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N(CCCCCCc1cn(CCCCCCc2c[nH]c(N)n2)nn1)CCc1ccccn1 ZINC000066101389 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1Cc1ccccc1C2 ZINC000066101528 KK Annotated Anodyne COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2Cc2ccccc2C3)cc1 ZINC000066101530 KK Annotated Anodyne COc1ccccc1CC(=O)NCCc1ccc(-c2c(C(=O)N(C)C)sc3c(C)cc(C)cc23)cc1 ZINC000066101843 KK Annotated Anodyne COc1cc(C)cc2c1C(=O)c1c(O)cc(O)c(Cl)c1[C@H]2[C@H]1c2cc(C)cc(OC)c2C(=O)c2c(O)cc(O)c(Cl)c21 ZINC000066102002 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@@H]3CC[C@H](N)[C@H](C)O3)c3ccccc32)cc1 ZINC000066102175 KK Annotated Mild CN(C)c1ccc(-c2nnc(Cn3c(-c4ccccc4O)cc(-c4ccccc4)c3-c3ccccc3)o2)cc1 ZINC000066102310 KK Annotated Anodyne CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H]1OC1(C)C ZINC000066102514 KK Annotated Anodyne O=C1/C(=C/c2ccc(-c3ccc(F)c(-c4nnn[nH]4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066102657 KK Annotated Clean O=C1/C(=C/c2ccc(-c3ccc(O)c(-c4nnn[nH]4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066102660 KK Annotated Clean NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(Cl)cc3Cl)c3c(O)nc(CCl)nc32)cc1 ZINC000066102795 KK Annotated Reactive NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(Cl)cc3Cl)c3c(O)nc(CCl)nc32)cc1 ZINC000066102797 KK Annotated Reactive CC(C)[C@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066102907 KK Annotated Anodyne CNC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCN/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066103435 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2ccc(-c3c(C(=O)N4CCCC4)sc4c(C)cc(C)cc34)cc2)cc1 ZINC000066103438 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(Cl)cc34)cc2)cc1 ZINC000066103443 KK Annotated Mild Nc1ccccc1NC(=O)/C=C/c1ccc([C@H](NCCC2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103537 KK Annotated Anodyne Nc1ccccc1NC(=O)/C=C/c1ccc([C@@H](NCCC2CCOCC2)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 ZINC000066103540 KK Annotated Anodyne CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2ccccc21)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]3OCc1ccccc1 ZINC000066103591 KK Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066103610 KK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(I)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066103637 KK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(I)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066103641 KK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(I)cc3)cc2)Sc2ccccc2-n2cccc2C1=O ZINC000066103647 KK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(I)cc3)cc2)Sc2ccccc2-n2cccc2C1=O ZINC000066103649 KK Annotated Anodyne COc1ccc(CN2C(=O)/C(=N\c3ccc(C(=O)O)cc3)c3cc(Br)cc(Br)c32)cc1 ZINC000066103700 KK Annotated Mild COc1ccc(CN2C(=O)/C(=N\c3ccc(CC(=O)O)cc3)c3cc(Br)cc(Br)c32)cc1 ZINC000066103702 KK Annotated Mild CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)cc2)n2c1Cc1ccccc1C2 ZINC000066103954 KK Annotated Anodyne O=C1/C(=C/c2ccc(-c3ccc(Cl)c(-c4nnn[nH]4)c3)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066104046 KK Annotated Clean O=C1/C(=C/c2ccc(-c3cccc(-c4nnn[nH]4)c3F)o2)SC(=S)N1c1cccc(C(F)(F)F)c1 ZINC000066104048 KK Annotated Clean CCCCCCCCC1=NC(=S)N=C1CCCCCCCC(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000066104129 KK Annotated Mild CCCCCCCCC1=NC(=S)N=C1CCCCCCCC(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000066104133 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(F)cc(F)cc34)cc2)cc1 ZINC000066104179 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(Cl)cc(C(F)(F)F)cc34)cc2)cc1 ZINC000066104182 KK Annotated Mild COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)[C@@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]23C)CC1=O ZINC000066104238 KK Annotated Clean COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC[C@]3(C)[C@H]4CC(=O)c5c(cc(O)c(O)c5C=O)[C@]4(C)CC[C@@]23C)CC1=O ZINC000066104240 KK Annotated Clean COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066104299 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066104300 KK Annotated Anodyne CCC(=O)N(CCCCCCCCNC(=N/C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000066104305 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(C[C@H](O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066104432 KK Annotated Mild Cc1cc(C#N)cc2nc(-c3ccc(C[C@@H](O)CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)oc12 ZINC000066104434 KK Annotated Mild CO[C@@H](Cc1ccc(-c2nc3cc(C#N)cc(C)c3o2)cc1)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000066104436 KK Annotated Mild CO[C@H](Cc1ccc(-c2nc3cc(C#N)cc(C)c3o2)cc1)CN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000066104439 KK Annotated Mild CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)CCCC(C)(C)OO)CC[C@]23C)C1(C)C ZINC000066104540 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C ZINC000066104561 KK Annotated Anodyne COC1(c2cccc(CN(c3cc(Cl)ccc3OCc3ccccc3)S(C)(=O)=O)c2)CCOCC1 ZINC000066105001 KK Annotated Anodyne COc1cc(-c2nc3sc4c(O)cccc4c3c(=O)n2Cc2ccccc2)c(Br)c(OC)c1OC ZINC000066105133 KK Annotated Anodyne CCCCCCCCC1=NC(=O)N=C1CCCCCCCC(=O)NN1C(=O)CS[C@H]1c1ccc(Cl)cc1 ZINC000066105154 KK Annotated Mild CCCCCCCCC1=NC(=O)N=C1CCCCCCCC(=O)NN1C(=O)CS[C@@H]1c1ccc(Cl)cc1 ZINC000066105157 KK Annotated Mild C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)[C@@H](OC(=O)/C=C/C=C/CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000066111512 KK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(Br)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111611 KK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(Br)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111612 KK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(I)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111613 KK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(I)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066111614 KK Annotated Anodyne O=C(/C=C/c1cccc(C(F)(F)F)c1)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O ZINC000066111796 KK Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)C[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000066111797 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1CC(C)C)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000066111873 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066111903 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C[C@@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066111904 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000066111905 KK Annotated Anodyne O=C1c2ccccc2[C@@](OC[C@@H]2CCCC[C@@H]2CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066111917 KK Annotated Bother O=C1c2ccccc2[C@](OC[C@@H]2CCCC[C@@H]2CO)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066111918 KK Annotated Bother C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)/C=C\C=C\CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](O)C[C@H]1C ZINC000066112024 KK Annotated Anodyne C=C/C(C)=C/C[C@@]1(C)[C@@H]2C[C@@H](O)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](OC(=O)/C=C/C=C/CCCCC)C[C@H]1C ZINC000066112025 KK Annotated Anodyne C=C/C(C)=C/C[C@]1(C)[C@H](C)[C@@H](O)[C@@H](O)[C@@]23C(=C[C@H](OC(=O)/C=C\C=C\CCCCC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000066112026 KK Annotated Anodyne O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCCc1c(-c2ccccc2Cl)c2cc(Cl)ccc2[nH]c1=O ZINC000066112077 KK Annotated Anodyne Cc1cc(C#N)cc2nc(-c3ccc(NC(=O)CN4CCN(c5ccccc5C(F)(F)F)CC4)cc3)oc12 ZINC000066112104 KK Annotated Mild CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066112159 KK Annotated Anodyne C[C@@H]1CCCCCCCc2cc(OC(=O)c3ccc(Cl)cc3)cc(OC(=O)c3ccc(Cl)cc3)c2C(=O)O1 ZINC000066112198 KK Annotated Anodyne CN(C)c1ccc(/C=N/C2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000066112261 KK Annotated Reactive CN(C)c1ccc(/C=N/C2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000066112262 KK Annotated Reactive O=C1OC[C@H](c2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/CC[C@H]1Cc1ccc(F)cc1 ZINC000066112355 KK Annotated Anodyne Nc1ccc2cc3cc(NCc4cccc(CNc5ccc6cc7ccc(N)cc7nc6c5)n4)ccc3nc2c1 ZINC000066112408 KK Annotated Bother Cc1ccc(-c2oc3cc(O)c(C(=O)O)cc3c2-c2cn(CCCC(=O)Nc3cccc4ccccc34)nn2)cc1 ZINC000066112446 KK Annotated Anodyne O=C1Nc2ccccc2C(=O)N2C[C@@]3(C[C@@H]12)O[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000066112612 KK Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2ccccc21)O[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000066112613 KK Annotated Anodyne Cc1cc2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc2nc1C(=O)O ZINC000066112652 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)OC[C@@H]2C=CC[C@@H](CCC[C@H]3O[C@@H](C(=O)OC(C)C)CC[C@H]3C)O2)c(C)c1 ZINC000066112827 KK Annotated Mild CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000066113117 KK Annotated Anodyne CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066113193 KK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000066113239 KK Annotated Anodyne C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3cnccn3)C2=O)cc1 ZINC000066113273 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3cnccn3)C2=O)cc1 ZINC000066113276 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccccn3)C2=O)cc1 ZINC000066113284 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccccn3)C2=O)cc1 ZINC000066113286 KK Annotated Mild C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)NC[C@H](OC(=O)[C@@H](CC=C)Cc1ccc(F)cc1)c1ccccc1 ZINC000066113497 KK Annotated Mild CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCCn2ccnc2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000066113542 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NC(C)(C)C)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000066113608 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NC(C)(C)C)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000066113610 KK Annotated Anodyne CC[C@@]1(c2ccc(CSc3cccc(OC(F)(F)F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113620 KK Annotated Anodyne CC[C@]1(c2ccc(CSc3cccc(OC(F)(F)F)c3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066113621 KK Annotated Anodyne C=C(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC(C)=O)C[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C ZINC000066113634 KK Annotated Mild in-vitro Cc1nc(S)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl ZINC000066113725 KK Annotated Mild Cc1nc(S)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl ZINC000066113729 KK Annotated Mild CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000066113730 KK Annotated Reactive CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000066113732 KK Annotated Reactive O=C1Nc2ccccc2C(=O)N2C[C@]3(C[C@H]12)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]3OCc1ccccc1 ZINC000066113781 KK Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066113811 KK Annotated Anodyne CCN(CC)CCc1cccc(OCc2ccc([C@]3(CC)Oc4ccccc4-n4cccc4C3=O)cc2)c1 ZINC000066113829 KK Annotated Anodyne CCN(CC)CCc1cccc(OCc2ccc([C@@]3(CC)Oc4ccccc4-n4cccc4C3=O)cc2)c1 ZINC000066113832 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NC(C)(C)C)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000066113880 KK Annotated Anodyne CCCCCCCCCCCC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21 ZINC000066113965 KK Annotated Mild CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CC1CCCCCC1 ZINC000066113992 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CC1CCCCCC1 ZINC000066113993 KK Annotated Anodyne O=C1c2ccccc2[C@@](OCc2cccc(CO)c2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114019 KK Annotated Bother O=C1c2ccccc2[C@](OCc2cccc(CO)c2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066114021 KK Annotated Bother CCC(=O)N(CCCCCCNC(=N/C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000066114234 KK Annotated Mild CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C ZINC000066114287 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000066114290 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000066114293 KK Annotated Anodyne COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4cnc(N5CCOCC5)nc4)cc23)c1 ZINC000066114319 KK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000066114378 KK Annotated Anodyne CCC(CC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(OCc2ccccc2)cc1 ZINC000066114382 KK Annotated Anodyne CC(=O)c1cccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)c1 ZINC000066114493 KK Annotated Anodyne CC(=O)c1cccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)c1 ZINC000066114495 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)NCc2ccco2)CC3)c(C)c1 ZINC000066114634 KK Annotated Anodyne OCCCn1c([C@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000066114641 KK Annotated Anodyne OCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(Cl)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000066114642 KK Annotated Anodyne FC(F)(F)c1ccc(Cl)c(OCc2ccccc2-c2ccc(-c3cn(CCCc4ccccc4)nn3)cc2)c1 ZINC000066122723 KK Annotated Anodyne Cc1ccccc1CCn1cc(-c2ccc(-c3ccccc3COc3cc(C(F)(F)F)ccc3Cl)cc2)nn1 ZINC000066122725 KK Annotated Anodyne CN(/C=C/c1n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc2[n+]1CCc1ccccc1)c1ccccc1 ZINC000066122748 KK Annotated Clean Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)cc2)CC=C(C(=O)O)[C@@H]1c1ccc(Br)cc1 ZINC000066122765 KK Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)O[C@@H](CNC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066122767 KK Annotated Mild COc1ccc(-c2c(C(F)(F)F)nn3c(O)cc(-c4cc(F)c(Cl)nc4Cl)nc23)cc1OC ZINC000066122786 KK Annotated Anodyne CC[C@@]1(c2ccc(CSc3ccc(OC(F)(F)F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066122796 KK Annotated Anodyne CC[C@]1(c2ccc(CSc3ccc(OC(F)(F)F)cc3)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066122798 KK Annotated Anodyne CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(-c4ccc(-c5cn(CCCc6ccccc6)nn5)cc4)cc3)cccc12 ZINC000066122844 KK Annotated Anodyne C/C=C/C/C=C(\C)[C@H](O)CC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000066122855 KK Annotated Mild C/C=C/C/C=C(\C)[C@@H](O)CC/C(C)=C/C=C(\C)C(=O)c1c(O)cc([C@H](C)CC/C=C/NC(=O)OC)oc1=O ZINC000066122857 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)O[C@]1(CCCCN3C(=O)c4ccccc4C3=O)Cc3c(ccc4ccccc34)[C@H]2O1 ZINC000066122951 KK Annotated Mild C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)O[C@H](CNC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066122990 KK Annotated Mild Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@H]3CC[C@@H](O)[C@H](C)O3)c3ccccc32)cc1 ZINC000066123004 KK Annotated Mild Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@@H]3CC[C@@H](O)[C@H](C)O3)c3ccccc32)cc1 ZINC000066123009 KK Annotated Mild CC[C@@]1(c2ccc(COc3ccc(I)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123053 KK Annotated Anodyne CC[C@]1(c2ccc(COc3ccc(I)cc3Cl)cc2)Oc2ccccc2-n2cccc2C1=O ZINC000066123054 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000066123114 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000066123115 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000066123138 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000066123140 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(Br)c12 ZINC000066123142 KK Annotated Anodyne C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)N[C@H](COC(=O)[C@@H](CC=C)Cc1ccc(F)cc1)C(C)(C)C ZINC000066123241 KK Annotated Mild N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3c(c(=O)oc4ccc(F)cc34)[C@@H]2O1 ZINC000066123242 KK Annotated Mild CCCCCC[n+]1c(/C=C/N(C)c2ccccc2)n(-c2ccccc2)c2ccc(-c3nc4ccccc4s3)cc21 ZINC000066123299 KK Annotated Clean CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000066123356 KK Annotated Anodyne C[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066123404 KK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(Cl)cc1S2(=O)=O ZINC000066123477 KK Annotated Anodyne CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000066123514 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000066123546 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066123593 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccc(F)cc21 ZINC000066123640 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2c2cn(Cc3ccccc3)c3ccc(F)cc23)cc1 ZINC000066123738 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)NCCc1ccc(OC)c(OC)c1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000066123747 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)NCCc1ccc(OC)c(OC)c1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000066123749 KK Annotated Anodyne O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2[C@@]12O[C@@H](COc1ccccc1)CC1=C2CCC1 ZINC000066123775 KK Annotated Anodyne O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2[C@]12O[C@H](COc1ccccc1)CC1=C2CCC1 ZINC000066123777 KK Annotated Anodyne O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2[C@]12O[C@@H](COc1ccccc1)CC1=C2CCC1 ZINC000066123779 KK Annotated Anodyne Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]([C@H](C)O)C(=O)N1CC2 ZINC000066123862 KK Annotated Anodyne C=CCC[C@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)C(C)(C)C ZINC000066123893 KK Annotated Mild CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(C)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066123896 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc2ccccc2c1 ZINC000066124085 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc2ccccc2c1 ZINC000066124088 KK Annotated Anodyne C[C@H]1/C=C/CC(=O)N[C@H](c2cccc(Br)c2)[C@H](C)/C=C/CC(=O)N[C@H]1c1cccc(Br)c1 ZINC000066124120 KK Annotated Anodyne CCCC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(OC(C)=O)c(CC=C(C)C)c(O)c12 ZINC000066124154 KK Annotated Anodyne CCCC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(OC(C)=O)c(CC=C(C)C)c(OC(C)=O)c12 ZINC000066124156 KK Annotated Anodyne CCCC[C@H](OC(C)=O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(OC(C)=O)c12 ZINC000066124157 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066124245 KK Annotated Anodyne CCCC(CCC)(NC(=O)c1cnn2c1N[C@H](c1ccccc1)CC2(C)C)c1ccc(C(F)(F)F)cc1 ZINC000066124266 KK Annotated Anodyne CCCC(CCC)(NC(=O)c1cnn2c1N[C@@H](c1ccccc1)CC2(C)C)c1ccc(C(F)(F)F)cc1 ZINC000066124267 KK Annotated Anodyne C[C@@H]1Cc2c(COc3ccccc3)nc3c(c2CO1)CN(C(=O)c1cc(I)ccc1F)CC3 ZINC000066124381 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066124444 KK Annotated Anodyne CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066124485 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=NC[C@H]2C(C)C)C(C)C)C(=N)N1CCCC1CCCC1 ZINC000066124513 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)CNC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/CC[C@H]1Cc1ccc(F)cc1 ZINC000066124552 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCc2ccco2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C)C(C)C ZINC000066124600 KK Annotated Anodyne Cc1cc(Br)c(Oc2cc(NN3CCCCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1 ZINC000066128497 KK Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000066128509 KK Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000066128513 KK Annotated Bother O=C1c2ccccc2[C@@](OCCCCO)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066128784 KK Annotated Bother O=C1c2ccccc2[C@](OCCCCO)(c2ccc(Br)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066128786 KK Annotated Bother O=C1c2ccccc2[C@@](OCc2ccc(CO)cc2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066128788 KK Annotated Bother O=C1c2ccccc2[C@](OCc2ccc(CO)cc2)(c2ccc(Cl)cc2)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000066128789 KK Annotated Bother COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000066128805 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000066128806 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000066128808 KK Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066128869 KK Annotated Anodyne Cc1cccc(C)c1-c1ccc(CN2[C@H](CC(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000066128956 KK Annotated Anodyne Cc1cccc(C)c1-c1ccc(CN2[C@@H](CC(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000066128961 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066129039 KK Annotated Anodyne C=CC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)C(C)(C)C ZINC000066129201 KK Annotated Mild COc1ccc2c3c(c(=O)oc2c1)[C@@H]1O[C@@](CCCCN2C(=O)c4ccccc4C2=O)(Cc2cc(OC)c(OC)cc21)O3 ZINC000066129209 KK Annotated Anodyne O=C1NC[C@@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066129307 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066129309 KK Annotated Anodyne FC(F)(F)c1cc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)ccc1Cl ZINC000066129331 KK Annotated Anodyne C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066129340 KK Annotated Mild Cc1ccc(Cn2c([C@@H](C)Nc3nc(-c4ccc(Cl)c([N+](=O)[O-])c4)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000066129371 KK Annotated Bother Cc1ccc(Cn2c([C@H](C)Nc3nc(-c4ccc(Cl)c([N+](=O)[O-])c4)cs3)nc3cc(C(F)(F)F)ccc32)cc1 ZINC000066129374 KK Annotated Bother C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H]1CCCN1C(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1 ZINC000066129387 KK Annotated Mild COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(Cc3ccccc3)c(=O)c21 ZINC000066129413 KK Annotated Anodyne Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3cc(C#N)ccc31)O2 ZINC000066129417 KK Annotated Mild CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000066129489 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000066129492 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCc1ccco1 ZINC000066129508 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)N[C@@H](C)C(=O)OC(C)C)CC3)c(C)c1 ZINC000066129539 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)N[C@H](C)C(=O)OC(C)C)CC3)c(C)c1 ZINC000066129541 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)N[C@H](C)C(=O)OC(C)C)CC3)c(C)c1 ZINC000066129543 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000066129558 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000066129560 KK Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCCCC1 ZINC000066129589 KK Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCCCC1 ZINC000066129592 KK Annotated Anodyne CCCCn1c(C)cc2c(c1=O)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000066136218 KK Annotated Anodyne COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1 ZINC000066136228 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066136289 KK Annotated Anodyne CC1=C[C@H](COCc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066136349 KK Annotated Anodyne CC1=C[C@@H](COCc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066136350 KK Annotated Anodyne CC1=C[C@H](COCc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066136351 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2ccc(O)cc2)N[C@@H]1c1ccc(Br)cc1 ZINC000066136353 KK Annotated Mild COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066136356 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000066136358 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000066136359 KK Annotated Anodyne C=CCC[C@H](Cc1ccc(F)cc1)C(=O)O[C@H](CNC(=O)[C@@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066136394 KK Annotated Mild C=CC[C@@H](CC(=O)N(CCO)Cc1ccccc1)C(=O)NC[C@@H](OC(=O)[C@@H](CC=C)Cc1ccc(F)cc1)c1ccccc1 ZINC000066136400 KK Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066136409 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1CC(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066136410 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000066136434 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000066136435 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccccc1F ZINC000066136444 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccccc1F ZINC000066136445 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O ZINC000066136455 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O ZINC000066136456 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O ZINC000066136457 KK Annotated Anodyne CC(C)COc1ccccc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)nc1 ZINC000066136489 KK Annotated Mild COc1ccc([C@@]23Cc4cc(OC)c(OC)cc4[C@@H](O2)c2c(cc(C)n(Cc4ccccc4)c2=O)O3)cc1 ZINC000066136526 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3c4ccccc4N(S(=O)(=O)c4ccc(C)cc4)[C@@H]3[C@@H](C)[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000066136545 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1cccc(Cl)c1 ZINC000066136553 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1cccc(Cl)c1 ZINC000066136554 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C)C(C)C ZINC000066136606 KK Annotated Anodyne C=C[C@@H]1c2cccc(C)c2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)[C@]1(C#N)S(=O)(=O)c1ccccc1 ZINC000066136633 KK Annotated Mild C=C[C@@H]1c2cccc(C)c2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)[C@@]1(C#N)S(=O)(=O)c1ccccc1 ZINC000066136634 KK Annotated Mild O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O ZINC000066136650 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(C)C)C(=N)N1CCCC1CCCC1 ZINC000066136653 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000066136663 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000066136664 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066136685 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066136686 KK Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066136689 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccs3)CC=C(C(=O)O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066138185 KK Annotated Anodyne COC(=O)[C@]1(C/C=C/c2ccccc2)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066138256 KK Annotated Anodyne COC(=O)[C@]1(C/C=C/c2ccccc2)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066138259 KK Annotated Anodyne COC(=O)[C@@]1(C/C=C/c2ccccc2)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066138262 KK Annotated Anodyne Cc1ccc(C)c(OCCCC(C)(C)C(=O)NCCCCNC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000066138268 KK Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066138343 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000066138364 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000066138367 KK Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066138442 KK Annotated Anodyne C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066138445 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)OC1(CCCCC1)C2 ZINC000066138458 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C(C)C)C(=N)N1CCCC1CCCC1 ZINC000066138464 KK Annotated Anodyne C[C@@]12C(=O)Nc3ccc(Cl)cc3C(=O)N1[C@H]1c3cc(Br)ccc3OC[C@@H]1[C@@H]2c1ccccc1 ZINC000066138553 KK Annotated Anodyne COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000066138658 KK Annotated Mild CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1C(C)C)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N ZINC000066138765 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000066138773 KK Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066138796 KK Annotated Anodyne O=C(NCc1ccc(F)cc1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000066138805 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066138838 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C ZINC000066138862 KK Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066138961 KK Annotated Anodyne C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCCCC1 ZINC000066138970 KK Annotated Anodyne O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000066139003 KK Annotated Anodyne O=C1C2=C(C(=O)c3ccccc31)[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3c1ccc1ccccc31)O2 ZINC000066139011 KK Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066139040 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066139044 KK Annotated Anodyne COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000066139143 KK Annotated Anodyne C=C[C@H](Cc1ccccc1)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C=C)Cc1ccccc1 ZINC000066139214 KK Annotated Mild COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)N[C@@H](C)c2ccccc2)CC3)c(C)c1 ZINC000066139342 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)N[C@H](C)c2ccccc2)CC3)c(C)c1 ZINC000066139344 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)N[C@H](C)c2ccccc2)CC3)c(C)c1 ZINC000066139348 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CCc1ccccc1 ZINC000066139352 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CCc1ccccc1 ZINC000066139355 KK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066139358 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066139372 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CN1C(=O)[C@@]2(O[C@@H](COc3ccccc3)CC3=CCC[C@@H]32)c2c(Br)cccc21 ZINC000066139375 KK Annotated Anodyne C=CCC[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](NC(=O)[C@H](CC=C)CC(=O)N(CCO)Cc1ccccc1)c1ccccc1 ZINC000066139402 KK Annotated Mild Cc1ccccc1-c1cc(C(=O)NCc2cccc(Br)c2)n(C[C@@H]2CC(c3cccnc3)=NO2)n1 ZINC000066139478 KK Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2cccc(Br)c2)n(C[C@H]2CC(c3cccnc3)=NO2)n1 ZINC000066139482 KK Annotated Anodyne CCc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066139488 KK Annotated Anodyne CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000066139498 KK Annotated Anodyne CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000066139501 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N(C[C@H]2CC[C@@H]([C@@H]3CC[C@H](CO)O3)O2)[C@@H](C(=O)NC(C)(C)C)c2ccc(-c3ccccc3)cc2)c1 ZINC000066139603 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N(C[C@H]2CC[C@@H]([C@@H]3CC[C@H](CO)O3)O2)[C@H](C(=O)NC(C)(C)C)c2ccc(-c3ccccc3)cc2)c1 ZINC000066139607 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(OC(F)F)cc1)C2=O ZINC000066139648 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)Nc1ccc(OC(F)F)cc1)C2=O ZINC000066139651 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)Nc1ccc(OC(F)F)cc1)C2=O ZINC000066139654 KK Annotated Anodyne O=C1N[C@H](Cc2ccccc2)COC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066139698 KK Annotated Anodyne COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N/O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000066139721 KK Annotated Mild O=C1N(Cc2ccc(Br)cc2)c2cccc(Br)c2[C@@]12O[C@@H](COc1ccccc1)CC1=CCC[C@@H]12 ZINC000066139741 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@H]1CC(C)C)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N ZINC000066139768 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCC[C@@H]3[C@@H](C)[C@H]2c2cn(Cc3ccccc3)c3ccc(F)cc23)cc1 ZINC000066139819 KK Annotated Anodyne O=[N+]([O-])c1cc(-c2csc(NCCc3nc4cc(Cl)c(Cl)cc4n3CCCO)n2)ccc1Cl ZINC000066139867 KK Annotated Bother COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC ZINC000066147741 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066147834 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]31C ZINC000066147838 KK Annotated Anodyne C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000066147890 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000066147933 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000066147936 KK Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4cc(C)oc4C(F)(F)F)c2C3=O)cc1OC ZINC000066148036 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@@H]1CCCc3ccccc31)C2=O ZINC000066148061 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@@H]1CCCc3ccccc31)C2=O ZINC000066148064 KK Annotated Anodyne COc1ccc2c(c1)O[C@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)N[C@@H]1CCCc3ccccc31)C2=O ZINC000066148067 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)N[C@@H]1CCCc3ccccc31)C2=O ZINC000066148070 KK Annotated Anodyne C=C(C[C@@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F)c1ccccc1 ZINC000066148135 KK Annotated Mild C=C(C[C@@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F)c1ccccc1 ZINC000066148139 KK Annotated Mild C=C(C[C@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F)c1ccccc1 ZINC000066148142 KK Annotated Mild C=C(C[C@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F)c1ccccc1 ZINC000066148144 KK Annotated Mild COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066148184 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066148186 KK Annotated Anodyne COc1cccc([C@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066148187 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@@H]2OC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000066148190 KK Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066148318 KK Annotated Anodyne O=C1OC2(CCCCC2)CC2=C1[C@@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(Cc3ccccc31)O2 ZINC000066148396 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=NC[C@H]2CC(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000066148434 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2C(N)=NC[C@H]2C(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000066148484 KK Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)NCc4cccc(OC(F)(F)F)c4)c2C3=O)cc1OC ZINC000066148613 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C ZINC000066148629 KK Annotated Anodyne Cc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000066148715 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000066148773 KK Annotated Anodyne C#Cc1ccccc1C[C@@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066148776 KK Annotated Mild C#Cc1ccccc1C[C@@]1(C(=O)OC)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066148778 KK Annotated Mild C#Cc1ccccc1C[C@]1(C(=O)OC)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000066148780 KK Annotated Mild N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)Oc3cc(-c4ccccc4)oc(=O)c3[C@@H]2O1 ZINC000066148803 KK Annotated Mild COc1ccc(N(C(=O)CSc2ncccn2)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000066148809 KK Annotated Anodyne COc1ccc(N(C(=O)CSc2ncccn2)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000066148812 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCCC1CCCC1 ZINC000066148839 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2c2cn(Cc3ccccc3)c3ccccc23)cc1 ZINC000066148872 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000066148875 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000066148877 KK Annotated Anodyne CC(C)[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000066148909 KK Annotated Anodyne C[C@H]1/C=C/CC(=O)N[C@H](c2ccc3ccccc3c2)[C@H](C)/C=C/CC(=O)N[C@H]1c1ccc2ccccc2c1 ZINC000066148927 KK Annotated Anodyne COC(=O)[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2OC)C1(C)C ZINC000066148974 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2cccnc2)N[C@@H]1c1ccc(Br)cc1 ZINC000066156286 KK Annotated Mild CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000066156300 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000066156302 KK Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066156369 KK Annotated Anodyne COc1cc(C#Cc2c(-c3cncn3C)n(C)c3ccc(-c4cc(OC)c(OC)c(OC)c4)cc23)cc(OC)c1 ZINC000066156417 KK Annotated Mild O=C1OC[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/CC[C@H]1Cc1ccc(F)cc1 ZINC000066156471 KK Annotated Anodyne N#Cc1ccc2c(c1)C[C@@]1(CCCCN3C(=O)c4ccccc4C3=O)OC3=C(C(=O)OC4(CCCCC4)C3)[C@@H]2O1 ZINC000066156484 KK Annotated Mild CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000066156488 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000066156490 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCc2ccccn2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000066156523 KK Annotated Anodyne COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2ccc(Cl)s2)cc1Cl ZINC000066156580 KK Annotated Reactive COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2ccc(Cl)s2)cc1Cl ZINC000066156582 KK Annotated Reactive CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000066156619 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000066156622 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)OC)C[C@H]1[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000066156657 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2cccc(NC(C)C)c2)c(C)c1 ZINC000066156695 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000066156719 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1ccco1 ZINC000066156959 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1ccco1 ZINC000066156960 KK Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066157071 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)N[C@@H]1CCCc3ccccc31)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000066157203 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)N[C@@H]1CCCc3ccccc31)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000066157205 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)N[C@@H]1CCCc3ccccc31)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000066157208 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)N[C@@H]1CCCc3ccccc31)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000066157209 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000066157267 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000066157271 KK Annotated Mild CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C)C(C)C ZINC000066157485 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066157530 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066157532 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066157535 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)[C@@H](N)CCC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066157539 KK Annotated Anodyne Cc1cc(-c2ccc3nc(C(=O)O)ccc3c2)ccc1OCc1c(-c2c(Cl)cccc2Cl)noc1C(C)C ZINC000066157567 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N ZINC000066157597 KK Annotated Anodyne OCOCCCn1c([C@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000066157627 KK Annotated Anodyne OCOCCCn1c([C@@H]2CCCN2c2nc(-c3ccc(F)cc3)cs2)nc2cc(Cl)c(N3CCCCC3)cc21 ZINC000066157629 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000066165845 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000066165847 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC3)c(C)c1 ZINC000066165868 KK Annotated Anodyne COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@@H](C(=O)OCC(F)(F)F)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000066165894 KK Annotated Mild CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000066166170 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]12C ZINC000066166173 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2c1c(=O)oc1ccccc21 ZINC000066166175 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N ZINC000066166202 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000066166255 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C)C(C)C ZINC000066166258 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000066166336 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C ZINC000066166338 KK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=CC[C@H](COc4ccccc4)O3)c3c(Br)cccc32)cc1 ZINC000066166359 KK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=CC[C@@H](COc4ccccc4)O3)c3c(Br)cccc32)cc1 ZINC000066166362 KK Annotated Anodyne COC(=O)c1ccc(CN2C(=O)[C@@]3(CC(C)=CC[C@H](COc4ccccc4)O3)c3c(Br)cccc32)cc1 ZINC000066166363 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCC[C@@]12Cc3c(ccc4ccccc34)[C@@H](O1)c1c(cc(-c3ccccc3)oc1=O)O2 ZINC000066166369 KK Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000066166454 KK Annotated Anodyne O=C1N[C@@H](c2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066166550 KK Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066166552 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)OC2=C1C(=O)CC(C)(C)C2 ZINC000066166692 KK Annotated Mild C=C(C)[C@@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000066166814 KK Annotated Mild C=C(C)[C@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000066166815 KK Annotated Mild C=C(C)[C@@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000066166816 KK Annotated Mild C=C(C)[C@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000066166817 KK Annotated Mild Cc1cc(N2O[C@]34C=C[C@]25C[C@@H](O)CC[C@]5(C)[C@@H]3CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]42)no1 ZINC000066166820 KK Annotated Anodyne Cc1cc(N2O[C@]34C=C[C@]25C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]42)no1 ZINC000066166821 KK Annotated Anodyne CC(C)(C)NC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000066166832 KK Annotated Anodyne COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@H](S(=O)(=O)c3ccccc3)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000066166869 KK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@@H](S(=O)(=O)c3ccccc3)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000066166870 KK Annotated Mild Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(C)c3)CC=C(C(=O)O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066166882 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CC1CCCCC1 ZINC000066166903 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccc(O)cc2)C(=S)N1CC1CCCCC1 ZINC000066166904 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000066166948 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000066166949 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(C)cc2)CC3)c(C)c1 ZINC000066166965 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)O)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000066166968 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/Cc2cc(OC)c(OC)c(OC)c2)N[C@@H]1CCc1ccccc1 ZINC000066166969 KK Annotated Mild COc1cc(N[C@@H](C)CCCNCOC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066166984 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNCOC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066166985 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNCOC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066166986 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)OCNCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000066166987 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000066167014 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C(=O)N2CCc3c([nH]c4ccccc34)[C@]12C ZINC000066167015 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@@H]1c1cccc(F)c1 ZINC000066167032 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C)C(C)C ZINC000066167033 KK Annotated Anodyne O=C(O)C1=CC[C@@H](c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1 ZINC000066167041 KK Annotated Anodyne CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 ZINC000066167085 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCCc1ccccn1 ZINC000066167096 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCCc1ccccn1 ZINC000066167097 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000066167098 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000066167099 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1cccc(Br)c12 ZINC000066167100 KK Annotated Anodyne C[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCCCC1 ZINC000066167101 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H]1O[C@@](CCCCN3C(=O)c4ccccc4C3=O)(C2)Oc2cc(C)n(-c3ccccc3)c(=O)c21 ZINC000066167103 KK Annotated Anodyne C[C@@H]1CCCCCCCCC(=O)OCCN(C(=O)OC(C)(C)C)[C@H](C)CCCCCCCCC(=O)OCCN1C(=O)OC(C)(C)C ZINC000066167136 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)/C(=N/CCc2ccccn2)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000066167157 KK Annotated Mild COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000066167177 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000066167178 KK Annotated Anodyne C[C@]1(NC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CCN(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000066167223 KK Annotated Anodyne C[C@@]1(NC(=O)CC(c2ccccc2)(c2ccccc2)c2ccccc2)CCN(Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000066167224 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccs2)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000066167240 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](C)[C@@H]2c2cn(Cc3ccccc3)c3ncccc23)cc1 ZINC000066167257 KK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCCCC3)cc1S2(=O)=O ZINC000066167258 KK Annotated Anodyne O=C1NC[C@H](c2ccccc2)OC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066167274 KK Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)COC(=O)[C@H](Cc2ccc(F)cc2)CC/C=C/C[C@H]1CC(=O)N(CCO)Cc1ccccc1 ZINC000066167282 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066167296 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066167297 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1ccccc12 ZINC000066167298 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@H]1CC(=O)Nc1ccc3ccccc3c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H](C)C2 ZINC000066167334 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccccc3c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H](C)C2 ZINC000066167335 KK Annotated Anodyne CCC(=O)N1C2=C(c3ccccc3[C@H]1CC(=O)Nc1ccc3ccccc3c1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](C)C2 ZINC000066167336 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000066167340 KK Annotated Anodyne CC1=CC[C@@H](COc2ccccc2)O[C@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000066167341 KK Annotated Anodyne CC1=CC[C@H](COc2ccccc2)O[C@@]2(C1)C(=O)N(Cc1ccc(Br)cc1)c1cccc(Br)c12 ZINC000066167342 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCc1ccco1 ZINC000066167361 KK Annotated Anodyne COc1cc(OC)cc(-c2c(-c3cccs3)c3cc(-c4ccc(OCc5ccccc5)cc4)ccc3n2C)c1 ZINC000066167363 KK Annotated Anodyne COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1cc(C)oc1C(F)(F)F ZINC000066167373 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=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@]2(C)[C@H]1C ZINC000066251061 KK Annotated Anodyne COc1cc2c(=O)c(C(=O)OCc3cccc(C)c3)cn(Cc3ccc(C(F)(F)F)cc3F)c2cc1OC ZINC000066251136 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(Cl)c(Cl)c2)n2c1Cc1ccccc1C2 ZINC000066251174 KK Annotated Anodyne COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCN/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000066251359 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)NCCc2ccc(-c3c(C(=O)N(C)C)sc4c(C)cc(C)cc34)cc2)cc1 ZINC000066251360 KK Annotated Mild CCOc1ccc(Br)cc1/C=C1\CCC/C(=C\c2cc(Br)ccc2OCC)C1=O ZINC000066251379 KK Annotated Mild CCCN(CCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@@H](C)[C@H]1CC=C(C)CC1 ZINC000066251577 KK Annotated Bother CCCN(CCCCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@H](C)[C@H]1CC=C(C)CC1 ZINC000066251578 KK Annotated Bother FC(F)(F)c1cc([C@@H]2O[C@H](c3ccccc3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251595 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccccc3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251596 KK Annotated Anodyne Fc1ccc(-c2cnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066251641 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Cl)c3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251777 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Cl)c3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066251778 KK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccccc1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066251837 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccccc4)c4ccc(C(F)(F)F)cc4)CC3)oc2c1 ZINC000066251860 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccccc4)c4ccc(C(F)(F)F)cc4)CC3)oc2c1 ZINC000066251861 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(F)cc4)c4ccc(C(F)(F)F)cc4)CC3)oc2c1 ZINC000066251862 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(F)cc4)c4ccc(C(F)(F)F)cc4)CC3)oc2c1 ZINC000066251863 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccccc4)c4ccc(Br)cc4)CC3)oc2c1 ZINC000066251937 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccccc4)c4ccc(Br)cc4)CC3)oc2c1 ZINC000066251938 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(F)cc4)c4ccc(Br)cc4)CC3)oc2c1 ZINC000066251939 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(F)cc4)c4ccc(Br)cc4)CC3)oc2c1 ZINC000066251940 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(Br)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066251941 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(Br)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066251942 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066252013 KK Annotated Bother Fc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066252014 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066252015 KK Annotated Anodyne Cc1ccc(-c2cnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066252016 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2ccccc2C3=O)cc1 ZINC000066252084 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@@H](c4ccc(C(F)(F)F)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066252264 KK Annotated Anodyne Cc1ccc2nc(CN3CCN(C(=O)C[C@H](c4ccc(C(F)(F)F)cc4)c4cccc(F)c4)CC3)oc2c1 ZINC000066252265 KK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066252309 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)CCc1ccccc1)[C@@H](OC(=O)CCc1ccccc1)C(C)(C)O3 ZINC000066252320 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O3 ZINC000066252321 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)/C=C/c1ccc(OC)cc1)[C@@H](OC(=O)/C=C/c1ccc(OC)cc1)C(C)(C)O3 ZINC000066252322 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)C1CCCCC1)[C@@H](OC(=O)C1CCCCC1)C(C)(C)O3 ZINC000066252324 KK Annotated Anodyne O=c1oc2c(Br)cccc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 ZINC000066252396 KK Annotated Bother O=c1oc2c(Br)cc(Br)cc2cc1-c1nc2ccccc2c2nc3c4nsnc4ccc3n12 ZINC000066252418 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066252438 KK Annotated Bother CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1cccc(OC)c1)[C@@H](OC(=O)c1cccc(OC)c1)C(C)(C)O3 ZINC000066252508 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(C)(C)O3 ZINC000066252510 KK Annotated Anodyne O=C(CCNCCSSCCNCCC(=O)c1sccc1Br)c1sccc1Br ZINC000066252524 KK Annotated Reactive CN1c2ccc(Cl)cc2N(c2ccccc2)C(=O)c2cn(Cc3ccc(CN4CCOCC4)cc3)nc21 ZINC000066252839 KK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000066258294 KK Annotated Anodyne CCc1ccc(C(=O)O[C@@H]2c3c(ccc4c(=O)cc(CC)oc34)OC(C)(C)[C@@H]2OC(=O)c2ccc(CC)cc2)cc1 ZINC000066258439 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccc(Cl)cc3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258491 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3ccc(Cl)cc3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258492 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Br)c3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258493 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Br)c3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258494 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccc(Br)cc3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258495 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3ccc(Br)cc3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000066258496 KK Annotated Anodyne Fc1ccc2nc(-c3cnc4nc(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)[nH]c2c1 ZINC000066258535 KK Annotated Anodyne CCOc1ccccc1C[C@@H]1C(=O)N(C(=O)NC(c2ccccc2)c2ccccc2)[C@@H]1Oc1ccc(C(=O)O)cc1 ZINC000066258641 KK Annotated Anodyne Cc1cc(N(CCCl)CCCl)ccc1/C=C1\CC/C(=C\c2ccc(N(CCCl)CCCl)cc2C)C1=O ZINC000066258642 KK Annotated Reactive CC(C)[C@H]1CC[C@H]2[C@]3(C)CC=C4[C@H](CC[C@H]5[C@](C)(C(=O)O)[C@@H](O)[C@H](O)C[C@]45C(=O)O)[C@@]3(C)CC[C@]12C ZINC000066258648 KK Annotated Anodyne CC(=O)N(C)[C@@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258694 KK Annotated Anodyne CC(=O)N(C)[C@H]1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)C1 ZINC000066258695 KK Annotated Anodyne CCCN(CCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@@H](C)[C@H]1CC=C(C)CC1 ZINC000066258740 KK Annotated Bother CCCN(CCOCCn1nc(OCc2ccccc2)c2cc([N+](=O)[O-])ccc21)CC[C@H](C)[C@H]1CC=C(C)CC1 ZINC000066258741 KK Annotated Bother CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc(Cl)cc4)CC[C@@]3(C)[C@H]12 ZINC000066258772 KK Annotated Anodyne O=S(=O)(c1ccccc1)c1ccc(-c2nnc3sc(Nc4ccc(Br)cc4)nn23)cc1 ZINC000066258836 KK Annotated Anodyne CCOC(=O)c1nn(-c2ccc(Cl)cc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000066258875 KK Annotated Mild Brc1ccc(-c2cnc(-c3ccc4nc(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066258876 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)[nH]2)cc1 ZINC000066258877 KK Annotated Anodyne CCCCN(CCCC)C(=O)O[C@@H]1c2c(ccc3c(=O)cc(CC)oc23)OC(C)(C)[C@@H]1OC(=O)N(CCCC)CCCC ZINC000066259061 KK Annotated Anodyne Oc1ccccc1/C=N\n1c(SCCSc2nnc(-c3cccnc3)n2/N=C\c2ccccc2O)nnc1-c1cccnc1 ZINC000066259185 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)N1CCCCC1)[C@@H](OC(=O)N1CCCCC1)C(C)(C)O3 ZINC000066259236 KK Annotated Anodyne N#Cc1c(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C(=O)c2ccccc2)nn(-c2ccccc2)c1-c1ccccc1 ZINC000066259271 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1ccccc1OC)[C@@H](OC(=O)c1ccccc1OC)C(C)(C)O3 ZINC000066259323 KK Annotated Anodyne O=[N+]([O-])c1ccccc1[C@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066259327 KK Annotated Bother O=[N+]([O-])c1ccccc1[C@@H]1O[C@@H](c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)[C@H]2CCCCN12 ZINC000066259328 KK Annotated Bother O=[N+]([O-])c1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1 ZINC000066259333 KK Annotated Bother O=[N+]([O-])c1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1 ZINC000066259334 KK Annotated Bother O=c1oc2c(Br)cc(Br)cc2cc1-c1nc2ccccc2c2nc3ccccc3n12 ZINC000066259335 KK Annotated Bother COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C[C@@H]3[C@@]4(C)CCC(=O)OC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000066259357 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C[C@@H]3[C@@]4(C)CCC(=O)OC(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000066259358 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(NC[C@@H]3CCCCN3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066259387 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(NC[C@H]3CCCCN3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066259388 KK Annotated Anodyne O=C(CCNCCSSCCNCCC(=O)c1ccc(Br)s1)c1ccc(Br)s1 ZINC000066259523 KK Annotated Reactive COCCNCc1ccc(Cn2cnc3c2C(=O)N(c2ccccc2)c2cc(Cl)ccc2N3C)cc1 ZINC000066259680 KK Annotated Anodyne Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)c3ccccc3)n2)cc1 ZINC000066259724 KK Annotated Mild N#Cc1c(-c2nnc(-c3ccccc3)c3nn(-c4ccccc4)cc23)nn(-c2ccccc2)c1-c1ccccc1 ZINC000066259725 KK Annotated Mild O=C1c2ccccc2C[C@]12[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066259764 KK Annotated Anodyne Cc1ccc(-n2cc3c(-c4nn(-c5ccccc5)c(-c5ccccc5)c4C#N)nnc(-c4ccccc4)c3n2)cc1 ZINC000066259766 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)Cc1ccccc1)[C@@H](OC(=O)Cc1ccccc1)C(C)(C)O3 ZINC000066259786 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)Cc1ccc(OC)cc1)[C@@H](OC(=O)Cc1ccc(OC)cc1)C(C)(C)O3 ZINC000066259787 KK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066259798 KK Annotated Bother O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc1 ZINC000066259799 KK Annotated Bother Brc1ccc(-c2nc3ccc(-c4ncc(-c5ccc(Oc6ccccc6)cc5)[nH]4)cn3c2Nc2ccccc2)cc1 ZINC000066259811 KK Annotated Anodyne Fc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066259812 KK Annotated Anodyne Fc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Oc6ccccc6)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066259813 KK Annotated Anodyne Cc1ccc(-c2nnc(-c3ccc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066259815 KK 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@H](C(=O)OC)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000066259872 KK Annotated Mild CCCCCCCCC(=O)N(C)[C@@H](C(=O)O[C@@H](C(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccccc1)C(C)(C)O ZINC000066260010 KK Annotated Mild CCCCCCCCC(=O)N(C)[C@H](C(=O)O[C@@H](C(=O)N(C)CCc1ccc(OC)c(OC)c1)c1ccccc1)C(C)(C)O ZINC000066260011 KK Annotated Mild O=C1c2ccccc2C[C@]12[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 ZINC000066260055 KK Annotated Anodyne O=C1c2ccccc2C[C@]12[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)Nc2ccc(Cl)cc21 ZINC000066260056 KK Annotated Anodyne CC(C)N1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066260105 KK Annotated Anodyne N#Cc1c(-c2nnc(-c3ccccc3)c3nn(-c4ccc(Cl)cc4)cc23)nn(-c2ccccc2)c1-c1ccccc1 ZINC000066260149 KK Annotated Mild Fc1ccc(-c2nnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066260160 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066260162 KK Annotated Bother Clc1ccc(-c2nnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066260163 KK Annotated Anodyne Cc1ccc(-c2nnc(-c3cnc4nc(-c5ccc(Br)cc5)c(Nc5ccccc5)n4c3)o2)cc1 ZINC000066260164 KK Annotated Anodyne COc1ccc(Nc2nn3c(-c4ccc(S(=O)(=O)c5ccc(Br)cc5)cc4)nnc3s2)cc1 ZINC000066260206 KK Annotated Anodyne FC(F)(F)c1ccc(Nc2nc(N3CCN(C4CC4)CC3)nc3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000066262068 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](O)C[C@@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]24C)[C@@H]3C1 ZINC000066262235 KK Annotated Anodyne CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C(=O)C[C@@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]24C)[C@@H]3C1 ZINC000066262236 KK Annotated Anodyne COCCN1CCN(c2nc3c(c(Nc4ccc(C(F)(F)F)cc4)n2)CCN(c2ncccc2C(F)(F)F)CC3)CC1 ZINC000066262242 KK Annotated Anodyne O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000066262269 KK Annotated Anodyne CCC(C)(C)OC(=O)N1CCC(OCC(=O)Nc2ccc(-c3nc4cc(C#N)cc(C)c4o3)cc2)CC1 ZINC000066263028 KK Annotated Mild Cc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(C#CCO[C@H]3CC[C@H](N)[C@H](C)O3)c3ccccc32)cc1 ZINC000066263271 KK Annotated Mild Cc1cc(N(CCCl)CCCl)ccc1/C=C1\CCC/C(=C\c2ccc(N(CCCl)CCCl)cc2C)C1=O ZINC000066263416 KK Annotated Reactive O=C1/C(=C/c2ccc(C(F)(F)F)cc2C(F)(F)F)CCC/C1=C\c1ccc(C(F)(F)F)cc1C(F)(F)F ZINC000066263431 KK Annotated Mild CCOc1ccc(Br)cc1/C=C1\CC/C(=C\c2cc(Br)ccc2OCC)C1=O ZINC000066263439 KK Annotated Mild Cc1cc(N(CCCl)CCCl)ccc1/C=C/C(=O)/C=C/c1ccc(N(CCCl)CCCl)cc1C ZINC000066263716 KK Annotated Reactive CCOC(=O)c1nn(-c2ccc(C)cc2)cc1C(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000066263774 KK Annotated Mild CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cc(Br)cc(-c4ccccn4)c3)o2)c1 ZINC000066276801 KK Annotated Anodyne CCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OCCCCCCCCC[C@H]4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)=C(C)N=C(N1)N23 ZINC000067828956 KK Annotated Mild in-vitro C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@]2(O)[C@H](C[C@H]12)C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@H]3OC(C)(C)[C@H]3O[C@H]5CC[C@]2(C)[C@@]41C ZINC000067912808 KK Annotated Mild COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(SSc2c(C(F)(F)F)nc(C(F)F)c(C(=O)OC)c2CC(C)C)c1CC(C)C ZINC000067948279 KK Annotated Reactive CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000067957581 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000067957583 KK Annotated Mild Cn1cncc1[C@@](N)(c1ccc(Cl)nc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2CC1CC1 ZINC000067961455 KK Annotated Anodyne investigational Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2F)CC1 ZINC000068014250 KK Annotated Anodyne CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000068045260 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000068045264 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCN)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000068045265 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCC#N)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000068045427 KK Annotated Mild CNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@H]4CC[C@@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000068057208 KK Annotated Anodyne COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000068077982 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNCCF)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000068077998 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCC(F)(F)F)CC1 ZINC000068078926 KK Annotated Anodyne O=C(C[C@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 ZINC000068087522 KK Annotated Anodyne O=C(C[C@@H]1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 ZINC000068087523 KK Annotated Anodyne COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]2CC(=O)NCCc1ccc(C2=NCCN2)cc1 ZINC000068087528 KK Annotated Anodyne COc1cccc2c1-c1ccccc1N(S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@H]2CC(=O)NCCc1ccc(C2=NCCN2)cc1 ZINC000068087529 KK Annotated Anodyne O=C(C[C@H]1c2cc(F)cc(F)c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 ZINC000068087530 KK Annotated Anodyne O=C(C[C@@H]1c2cc(F)cc(F)c2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 ZINC000068087531 KK Annotated Anodyne CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000068087551 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000068087594 KK Annotated Anodyne C[N+](C)(C)CCCOc1ccc(-c2c3ccc(cc4ccc([nH]4)c(-c4ccc(OCCC[N+](C)(C)C)cc4)c4ccc(cc5ccc2[nH]5)n4)n3)cc1 ZINC000068106125 KK Annotated Bother COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCOC)c1 ZINC000068106255 KK Annotated Anodyne CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCC#CCN1C(=O)N[C@](C)(c2ccc(OC(C)C)cc2)C1=O ZINC000068106675 KK Annotated Anodyne CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)cc(CCC)c1OCC#CCN1C(=O)N[C@@](C)(c2ccc(OC(C)C)cc2)C1=O ZINC000068106678 KK Annotated Anodyne O=C(/C(=C\c1ccc(F)c([N+](=O)[O-])c1)SCc1ccc(Br)cc1)c1ccc(C(=O)N2CCN(CCO)CC2)cc1 ZINC000068106907 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@](OC)(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](NC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000068107294 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4c(OC)cccc4OC)CC3)cc1C)C2 ZINC000068120105 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccc5ccccc5c4)CC3)cc1C)C2 ZINC000068120107 KK Annotated Mild CS[C@]1(C)C[C@@H](OC(=O)NC(=O)C2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000068120342 KK Annotated Anodyne in-vivo CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(N(C(=O)Nc4ccc(C(N)=O)nc4)c4ccccc4)CC3)c(C3CC3)n2)cc1 ZINC000068149572 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CN1c1nc(N2CCC(O)CC2)ncc1Cl ZINC000068149812 KK Annotated Anodyne C[N+](C)(C)CCCOc1cccc(-c2c3ccc(cc4ccc([nH]4)c(-c4cccc(OCCC[N+](C)(C)C)c4)c4ccc(cc5ccc2[nH]5)n4)n3)c1 ZINC000068150072 KK Annotated Bother C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1 ZINC000068150300 KK Annotated Anodyne CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@]4(C)CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12 ZINC000068150345 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@]4(C)CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12 ZINC000068150347 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12 ZINC000068150351 KK Annotated Mild CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](NC(=O)c1cc2ccccc2s1)C(C)(C)C ZINC000068150523 KK Annotated Anodyne CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2ccccc2s1)C(C)(C)C ZINC000068150527 KK Annotated Anodyne COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000068151068 KK Annotated Anodyne COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000068151071 KK Annotated Anodyne COc1cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000068151076 KK Annotated Anodyne COc1cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000068151079 KK Annotated Anodyne COc1cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000068151082 KK Annotated Anodyne COc1cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)ccc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000068151087 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1c(OC)cc([C@@H]3CC(c4cc(OC)c(OC)c(OC)c4)=NO3)cc1OC)N=C[C@@H]1CCCN1C2=O ZINC000068151091 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1c(OC)cc([C@H]3CC(c4cc(OC)c(OC)c(OC)c4)=NO3)cc1OC)N=C[C@@H]1CCCN1C2=O ZINC000068151095 KK Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NCc3cccnc3)c2)c1)c1ccc2c(c1)OCOC2 ZINC000068152771 KK Annotated Anodyne C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2cccc(C(=O)NCc3cccnc3)c2)c1)c1ccc2c(c1)OCCO2 ZINC000068152774 KK Annotated Anodyne COc1cc(OCCCN2CCCC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1 ZINC000068153003 KK Annotated Anodyne CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CCNC4(CC4)C3)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000068197381 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(Br)c3c1[C@H](C2)N(C)CC3 ZINC000068197452 KK Annotated Anodyne CN1C[C@@H](F)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)/N=c1\sc(C(C)(C)C)cn1C[C@H]1CCCO1 ZINC000068198778 KK Annotated Anodyne Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)Oc1ccc(Br)cc1)C2 ZINC000068199955 KK Annotated Anodyne Cc1ncccc1NC(=O)c1ccc2c(c1)C(=O)C[C@@H]1C[C@@](O)(c3ccccc3)[C@](C)(O)C[C@@]21Cc1ccccc1 ZINC000068200863 KK Annotated Anodyne investigational CCCCCCNC(=O)c1nc(-c2cccc3ccccc23)sc1Cc1ccc(OP(=O)(O)O)cc1 ZINC000068201896 KK Annotated Anodyne O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000068204926 KK Annotated Anodyne CC(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000068205701 KK Annotated Anodyne Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(O)nn2)ccc(F)c1NC(=O)c1cc2ccccc2s1 ZINC000068207013 KK Annotated Anodyne in-vitro COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1Nc1cccnc1 ZINC000068207734 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1Nc1cccnc1 ZINC000068207737 KK Annotated Anodyne Cc1cc(Nc2nc(Cl)cn([C@H](COC(=O)Nc3ccccc3)C3CC3)c2=O)c(C)nc1OC(F)F ZINC000068208477 KK Annotated Anodyne O=C(Nc1cccc(-c2ccc(Cl)cc2)n1)c1ccc(Oc2cc3c(cc2Cl)[C@H](C(=O)O)CCO3)cc1 ZINC000068244053 KK Annotated Anodyne CC(C)C1=C(C(=O)N2C[C@H](F)C[C@H]2C(=O)N2CC3(CC3)NC[C@@H]2C)SC2=N[C@@](C)(c3ccc(Cl)nc3)[C@@H](c3ccc(Cl)c(F)c3)N21 ZINC000068244401 KK Annotated Anodyne CC[C@@H]1CNC2(CC2)CN1C(=O)[C@@H]1C[C@@H](F)CN1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)nc3)[C@H]2c2ccc(Cl)c(F)c2)S1 ZINC000068244405 KK Annotated Anodyne CC(C)c1csc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(/C(O)=N/S(=O)(=O)C6CC6)C[C@H]5/C=C/CCCCN(C)C(=O)[C@@H]4C3)c3ccccc3n2)n1 ZINC000068244630 KK Annotated Mild COc1cc2c(ccc3c4ccc5c(c4c[n+](C)c23)OCO5)c(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000068244658 KK Annotated Bother COc1cc2c(ccc3c4ccc(OC)c(OC)c4c[n+](C)c23)c(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000068244659 KK Annotated Bother COc1cc(-c2c(OC)c(OC)cc3c2ccc2c4ccc(OC)c(OC)c4c[n+](C)c32)cc(OC)c1OC ZINC000068244665 KK Annotated Bother COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[C@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000068245477 KK Annotated Anodyne COC(=O)c1cc2cc(NC(=O)c3cc(NC(=O)c4ccc(CN5CC[C@@H](N(C)C)C5)c(C(F)(F)F)c4)ccc3C)cnc2[nH]1 ZINC000068245478 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000068245720 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCCN(C)C)c(OC)c4oc3=O)ccc2OC)c1 ZINC000068245721 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245722 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245723 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245726 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000068245727 KK Annotated Anodyne COCC(F)(F)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1 ZINC000068246301 KK Annotated Anodyne COC[C@H](C)COCc1ccc([C@@]2(O)CCNC[C@@H]2c2ccc(-c3ccccc3CCNC(C)=O)cc2C)cc1 ZINC000068246307 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000068246405 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000068246652 KK Annotated Anodyne CCOc1ccc(Cc2nc3cc(N(C)S(=O)(=O)c4cccs4)ccc3n2CC2CCCCC2)nc1 ZINC000068246962 KK Annotated Anodyne COc1cc2c[n+]3ccc4c(OC)c(OC)ccc4c3cc2c(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000068247006 KK Annotated Bother CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(C4CCC5(CC4)OCC(C)(C)CO5)CC3)no2)cc1 ZINC000068247156 KK Annotated Anodyne CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(C4CCC5(CC4)OCCCCO5)CC3)no2)cc1 ZINC000068247157 KK Annotated Anodyne Cc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000068247860 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4c(Cl)cccc4Cl)CC3)cc1C)C2 ZINC000068248251 KK Annotated Mild Cc1c(N2CCOC(C)(C)C2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(N3CCOCC3)cc21 ZINC000068248875 KK Annotated Anodyne Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(N3CC4(CCOCC4)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000068248877 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCS(=O)(=O)CC2)c2ccc(N3CCOCC3)cc21 ZINC000068248883 KK Annotated Anodyne Cc1c(-c2ccccn2)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)cnc1-c1ccc(O)cc1 ZINC000068248884 KK Annotated Anodyne CNC(=O)c1cnc(N2CCC3(CC2)CCN(Cc2ccc(C(C)(C)C)cc2)c2ccccc2O3)s1 ZINC000068249478 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCc3ccc(C)cc3)C2=O)C(=O)c2cc(O)c(O)c(CCc3ccc(C)cc3)c2C1=O ZINC000068250112 KK Annotated Mild CS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 ZINC000068250456 KK Annotated Bother Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCC(F)(F)P(=O)(O)O)cc3C)cc12 ZINC000068250604 KK Annotated Anodyne Cc1cc(OCCCC(F)(F)P(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1 ZINC000068250609 KK Annotated Anodyne Cc1cc(OCCOCCOCCC(F)(F)P(=O)(O)O)ccc1CCc1cnc2c(N)nc3cc(CCC(=O)O)ccc3c2c1 ZINC000068250626 KK Annotated Anodyne COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br ZINC000068251388 KK Annotated Anodyne CCc1ccc([C@@H](C)C[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)c(C(=O)O)c1O ZINC000068314455 KK Annotated Anodyne Cc1c(C(=O)c2ccc(-c3ccccc3)cc2)oc2cc3occ(/C=C4/C(=O)NC(=O)N=C4O)c(=O)c3cc12 ZINC000069062034 KK Annotated Clean CC(C)(O)[C@@H](O)[C@@]1(C)C[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)[C@H](O)O1 ZINC000069481878 KK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OC(=O)CCCCCCCCCCCCCCC ZINC000069481991 KK Annotated Mild in-vitro biogenic C/C(=C/CC(=O)[C@H]1OC1(C)C)[C@H]1CC[C@]2(C)[C@H]1C[C@H](O)[C@@H]1[C@]34CC[C@](O)(OC3)C(C)(C)[C@H]4CC[C@]12C ZINC000069482322 KK Annotated Anodyne in-vitro biogenic C=C1[C@H](C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@]4(C)[C@@]5(C)CC[C@@H](Oc6ccccc6)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]12 ZINC000069482486 KK Annotated Mild in-vitro biogenic C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3)C(C)(C)O ZINC000070450814 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 ZINC000070450819 KK Annotated Bother in-vitro biogenic C=C(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](OC(C)=O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000070450836 KK Annotated Mild CC(=O)CCCCCC(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@H]1C(C)=CCCC1(C)C ZINC000070450850 KK Annotated Mild in-vitro biogenic Cc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1O[C@@]3(c1ccc(O)cc1O)Oc1cc(O)ccc1-2 ZINC000070450876 KK Annotated Anodyne in-man endogenous CC1(C)[C@@H](C(=O)/C=C/c2ccc(O)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000070450887 KK Annotated Mild in-vitro biogenic COc1c2ccoc2c(OC[C@@H]2O[C@]3(C=Cc4c(cc5occc5c4OCC=C(C)C)O3)OC2(C)C)c2oc(=O)ccc12 ZINC000070450912 KK Annotated Anodyne in-vitro biogenic CC(C)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000070451011 KK Annotated Anodyne CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000070451041 KK Annotated Anodyne CC1=C[C@](C)(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=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000070451042 KK Annotated Bother in-vitro biogenic COc1cc(/C=C/C(=O)[C@H]2CC[C@]3(C)C4=CC[C@@]5(C)[C@@H]6C[C@](C)(CO)CC[C@]6(C)CC[C@]5(C)C4=CC[C@H]3C2(C)C)ccc1O ZINC000070451094 KK Annotated Mild in-vitro biogenic C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@H]3C2=O ZINC000070451140 KK Annotated Anodyne in-vitro biogenic Cc1cc2c3c(c1O)-c1ccc(O)cc1O[C@@]3(c1ccc(O)cc1O)Oc1cc(-c3cc4ccc(O)cc4o3)cc(O)c1-2 ZINC000070451141 KK Annotated Anodyne in-vitro biogenic CO[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000070454007 KK Annotated Anodyne CC1=C[C@](C)(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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000070454009 KK Annotated Bother in-vitro biogenic CC1=C[C@](C)(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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000070454010 KK Annotated Bother in-vitro biogenic CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H]5C[C@@H](C[C@H]1C3=O)C(=O)[C@]4(C/C=C(\C)C=O)OC5(C)C)C=CC(C)(C)O2 ZINC000070454051 KK Annotated Reactive in-vitro biogenic CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000070454072 KK Annotated Bother in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454185 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@@H]([C@@H](OC(=O)[C@@H](C)CC)[C@H]12)C3(C)C ZINC000070454296 KK Annotated Mild in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)[C@H]2Oc1ccccc1 ZINC000070454392 KK Annotated Anodyne in-vitro biogenic CCO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 ZINC000070454455 KK Annotated Reactive in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000070454481 KK Annotated Anodyne in-vitro biogenic C=CCc1cc(-c2cc(CC=C)cc([C@@H]3C=C(C)CC[C@H]3C(C)C)c2O)c(O)c([C@@H]2C=C(C)CC[C@H]2C(C)C)c1 ZINC000070454499 KK Annotated Mild in-vitro biogenic O=c1cc(CCc2ccccc2)oc2ccc(O)c(-c3ccc(O)c4oc(CCc5ccccc5)cc(=O)c34)c12 ZINC000070454501 KK Annotated Anodyne in-vitro biogenic 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=C(C)/C=C\C=C(/C)C=O ZINC000070454575 KK Annotated Reactive in-vitro biogenic Cc1cc(SC2=C(O)O[C@@](CCc3ccc(N)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)c1ccc(C#N)cc1 ZINC000070454659 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(N)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1OS(=O)(=O)N(C)C ZINC000070454660 KK Annotated Mild CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(N)cc3)(C(C)C)CC2=O)cc1C ZINC000070454661 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(C)(=O)=O ZINC000070454666 KK Annotated Mild Cc1cc(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(C(C)C)CC2=O)c(C(C)(C)C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000070454667 KK Annotated Mild CCNS(=O)(=O)Oc1cc(C(C)(C)C)c(SC2=C(O)O[C@@](CCc3ccc(O)cc3)(c3ccccc3)CC2=O)cc1C ZINC000070454668 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454672 KK Annotated Bother in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454673 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070454674 KK Annotated Bother in-vitro biogenic CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000070454678 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000070454708 KK Annotated Mild in-vitro biogenic CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000070454723 KK Annotated Mild in-man endogenous CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O ZINC000070454856 KK Annotated Reactive CC1(C)[C@H](OC(=O)c2ccccc2)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 ZINC000070454865 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CCN=C3C2 ZINC000070454869 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCC(=O)Oc1c(C(C)C)cc2ccc3c(c2c1O)C(=O)CCC3(C)C ZINC000070454956 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1CC(=O)C(C)(C)/C=C/[C@H](C)[C@@H](OC(C)=O)[C@@]2(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c3ccccc3)[C@@H]2/C=C/1C ZINC000070455078 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC[C@@]1(C)C=Cc2c(O)cc(O)c(-c3oc4cc(O)cc(O)c4c(=O)c3CC=C(C)C)c2O1 ZINC000070455277 KK Annotated Anodyne in-vitro biogenic CCO[C@@H]1O[C@H]2[C@H](O)C[C@H]3[C@]4(C)CC[C@@]5(C)[C@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@@H]4CC[C@]31[C@H]2C ZINC000070455285 KK Annotated Anodyne in-vitro biogenic COc1c(Br)c2c(c(OC)c1OC)-c1c(c(Br)c3c(c1OC)OCO3)C[C@@H](C)[C@@H](C)C2 ZINC000070455335 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)([O-])CC3 ZINC000070455472 KK Annotated Bother in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000070455475 KK Annotated Anodyne in-vitro biogenic C=C1CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CC[C@@H]6OC(C)(C)OC[C@@]6(C)[C@H]5CC[C@]24C)[C@H]3C1 ZINC000070455552 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(OC)c(OC)c2)ccc1CC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000070455627 KK Annotated Mild in-vitro biogenic O=C(CCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCO)OCCCCCCCO ZINC000070455629 KK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](C(=O)/C=C/c2ccc(O)cc2)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 ZINC000070457346 KK Annotated Mild in-vitro biogenic CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000070457372 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@]4(C)[C@@H](CC=O)[C@@]1(C)[C@@H]32 ZINC000070457477 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C ZINC000070457482 KK Annotated Anodyne Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000070459590 KK Annotated Reactive Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C\c2sc(N3CCOCC3)nc2-c2ccccc2)c(C)c1 ZINC000070460569 KK Annotated Mild Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(Cl)nc4)c3)c3ccccc23)no1 ZINC000070461162 KK Annotated Anodyne Cc1cc(N(C)C(=O)c2cccc(C(F)(F)F)c2)ccc1NC(=O)c1cc2cnc3[nH]ccc3c2s1 ZINC000070462942 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1ccccc1 ZINC000070463055 KK Annotated Anodyne Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)cccc32)nc2cccc(C)c2c1=O ZINC000070463198 KK Annotated Anodyne Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)cccc32)nc2cccc(C)c2c1=O ZINC000070463199 KK Annotated Anodyne Cc1ccccc1-n1c(Cn2nc(-c3cccc4[nH]ccc34)c3c(N)cccc32)nc2cccc(C)c2c1=O ZINC000070463201 KK Annotated Anodyne COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(c4ccccc4)(N4CCCOC4=O)CC3)C(C)(C)C2)cc1 ZINC000070631583 KK Annotated Anodyne COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)C3CCC(c4ccccc4)(N(C)C(C)=O)CC3)C(C)(C)C2)cc1 ZINC000070631585 KK Annotated Anodyne C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(F)cc1 ZINC000070631590 KK Annotated Anodyne C[C@@H](N[C@@H]1CC[C@@H](C(=O)N2CCC(C(=O)N3CCCC3)(c3ccccc3)CC2)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000070631591 KK Annotated Anodyne Cc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631592 KK Annotated Anodyne COc1ccc([C@@H](C)N[C@@H]2CC[C@@H](C(=O)N3CCC(C(=O)N(C)C)(c4ccccc4)CC3)C(C)(C)C2)cc1 ZINC000070631593 KK Annotated Anodyne O=C(N[C@@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Br)ccc12)C(=O)O)c1ccccc1Oc1ccccc1 ZINC000070706155 KK Annotated Anodyne O=C(N[C@@H](Cc1cn(C(=O)OCc2ccccc2)c2cc(Br)ccc12)C(=O)O)c1ccccc1Oc1ccccc1 ZINC000070706168 KK Annotated Anodyne O=C(N[C@@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(Cl)ccc12)C(=O)O)c1ccccc1Oc1ccccc1 ZINC000070706173 KK Annotated Anodyne O=C(N[C@@H](Cc1cn(C(=O)CCC2CCCC2)c2cc(F)ccc12)C(=O)O)c1ccccc1Oc1ccccc1 ZINC000070706185 KK Annotated Anodyne N#Cc1ccc2c(c1)c(C[C@H](NC(=O)c1ccccc1Oc1ccccc1)C(=O)O)cn2C(=O)CCC1CCCC1 ZINC000070706218 KK Annotated Mild COC(=O)CCc1ccc(-c2ccc(-c3ccc(OCC(=O)OC)c(CC(C)C)c3)c(C(C)C)c2)c(CC(C)C)c1 ZINC000070706332 KK Annotated Anodyne COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1S/C(=N\c2cccc(C)c2C)N(/N=C\c2cccc(OC)c2OC)C1=O ZINC000070706593 KK Annotated Mild COc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1S/C(=N\c2cccc(C)c2C)N(/N=C\c2cccc(OC)c2OC)C1=O ZINC000070706608 KK Annotated Mild c1ccc2c(Nc3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3)nnc(Nc3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3)c2c1 ZINC000070706719 KK Annotated Anodyne c1ccc2c(Nc3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3)nnc(Nc3ccc(C4=N[C@H]5CCCC[C@@H]5N4)cc3)c2c1 ZINC000070706728 KK Annotated Anodyne c1ccc2c(Nc3ccc(C4=N[C@@H]5CCCC[C@H]5N4)cc3)nnc(Nc3ccc(C4=N[C@@H]5CCCC[C@@H]5N4)cc3)c2c1 ZINC000070706737 KK Annotated Anodyne CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1Cl ZINC000070718716 KK Annotated Anodyne CC(C)N1CNc2c(NCCC(c3ccccc3)c3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 ZINC000070719324 KK Annotated Anodyne CCOC1=C/C(=C/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)C=CC1=O ZINC000070719744 KK Annotated Mild CC(C)(C)c1ccc(NC(=O)CCCCN)c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCCCN)cc2)c1 ZINC000071277202 KK Annotated Anodyne C=CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071280457 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000071280520 KK Annotated Mild O=C(Cc1ccc(OCCCBr)cc1)c1c(O)cc(OCCCBr)cc1OCCCBr ZINC000071280572 KK Annotated Reactive CCC/C=C/C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071280733 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071280749 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@H](C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000071280778 KK Annotated Mild CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000071280836 KK Annotated Mild CCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3 ZINC000071280857 KK Annotated Anodyne in-vitro C=CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071280860 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000071281114 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000071281361 KK Annotated Mild CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2 ZINC000071281430 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000071281463 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000071281475 KK Annotated Mild COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000071281497 KK Annotated Anodyne in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000071281519 KK Annotated Mild COc1ccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CSC(C(C)C)=N[C@H]6CC[C@@]56C[C@@]46C(=O)C[C@]23C)cc1 ZINC000071281628 KK Annotated Anodyne COc1ccc(CC(=O)c2c(OC)cc(OC)c(Cc3c(OC)cc(OC)c(C(=O)Cc4ccc(OC)cc4)c3O)c2O)cc1 ZINC000071281721 KK Annotated Anodyne CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000071281759 KK Annotated Anodyne C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@@H](C(C)(C)O)[C@]2(C)CCC(=O)OCC)[C@@]1(C)CCC(=O)O ZINC000071281811 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000071281944 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)C(C)C)[C@H](C)[C@@H]1C ZINC000071282012 KK Annotated Anodyne in-vitro CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CC[C@H](NCc4cccc(C(F)(F)F)c4)C3)sc12 ZINC000071282081 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 ZINC000071282130 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000071282426 KK Annotated Anodyne in-vitro CC/C=C(\C)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071294209 KK Annotated Anodyne C(#Cc1cccc(C#CCCC[n+]2cccc(-c3ccccc3)c2)c1)CCC[n+]1cccc(-c2ccccc2)c1 ZINC000071294238 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000071294280 KK Annotated Mild CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000071294301 KK Annotated Mild CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000071294358 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000071294381 KK Annotated Mild COc1c(OC(C)=O)cc2oc3cc(OC(C)=O)c(CC=C(C)C)c(OC(C)=O)c3c(=O)c2c1CC=C(C)C ZINC000071294530 KK Annotated Bother CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)[C@H](N)Cc5ccccc5)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000071294656 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)[C@@H](N)Cc5ccccc5)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000071294657 KK Annotated Anodyne CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3 ZINC000071294714 KK Annotated Anodyne in-vitro CC[C@H](C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3 ZINC000071294715 KK Annotated Anodyne in-vitro O=C(Cc1ccc(OCCBr)cc1)c1c(O)cc(OCCBr)cc1OCCBr ZINC000071294778 KK Annotated Reactive CC[C@@H]1[C@@H]2c3c(c4ccccc4n(C)c3=O)O[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071294788 KK Annotated Mild CC[C@H]1[C@@H]2c3c(c4ccccc4n(C)c3=O)O[C@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071294789 KK Annotated Mild CC[C@@H]1[C@@H]2c3c(c4ccccc4n(C)c3=O)O[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071294790 KK Annotated Mild CC[C@H]1[C@@H]2c3c(c4ccccc4n(C)c3=O)O[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071294791 KK Annotated Mild COc1ccccc1CN(C)[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@]5(C)CSC(C(C)C)=N[C@H]5CC[C@@]45C[C@@]35C(=O)C[C@]12C ZINC000071294820 KK Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1C[C@@H](OC(=O)O)[C@@H](C)C2=O)OC ZINC000071294873 KK Annotated Mild CCCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3 ZINC000071294939 KK Annotated Anodyne in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N(C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000071294955 KK Annotated Anodyne CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 ZINC000071295004 KK Annotated Mild CC(C)C[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071295007 KK Annotated Anodyne CC(C)C[C@@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071295008 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000071295044 KK Annotated Mild CCCCCCCCCCCC/C=C\CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O ZINC000071295045 KK Annotated Mild CC1(C)[C@H](O)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000071295059 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)C(C)C)[C@H](C)[C@H](C)[C@H]2OC(C)=O ZINC000071295078 KK Annotated Anodyne in-vitro CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000071295079 KK Annotated Mild C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@@H](C(C)(C)O)[C@]2(C)CCC(=O)OC)[C@@]1(C)CCC(=O)O ZINC000071295121 KK Annotated Mild in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000071295139 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)CCN)c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCN)nc2)c1 ZINC000071295167 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000071295251 KK Annotated Mild CSCC[C@@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071295479 KK Annotated Anodyne CSCC[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071295480 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)NCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000071295488 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CN)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000071295523 KK Annotated Anodyne CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000071295535 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc([N+](=O)[O-])c1)O2 ZINC000071295650 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000071295653 KK Annotated Mild CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000071295702 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(F)cc1)O2 ZINC000071295727 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000071295751 KK Annotated Mild CC[C@@H]1[C@H]2c3c(n(C)c4ccccc4c3=O)O[C@H](c3ccccc3)[C@@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071295808 KK Annotated Mild CC[C@H]1[C@H]2c3c(n(C)c4ccccc4c3=O)O[C@H](c3ccccc3)[C@@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071295809 KK Annotated Mild CC[C@@H]1[C@H]2c3c(n(C)c4ccccc4c3=O)O[C@@H](c3ccccc3)[C@@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071295810 KK Annotated Mild CC[C@H]1[C@H]2c3c(n(C)c4ccccc4c3=O)O[C@@H](c3ccccc3)[C@@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071295811 KK Annotated Mild CCCCC/C=C\C=C\CCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000071295852 KK Annotated Mild CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)[C@@H]5CCCN5)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000071295855 KK Annotated Anodyne CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)[C@H]5CCCN5)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000071295856 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000071296023 KK Annotated Mild CC(C)[C@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071296062 KK Annotated Anodyne CC(C)[C@@H](N)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071296063 KK Annotated Anodyne CC[C@@H]1[C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071296064 KK Annotated Mild CC[C@H]1[C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)[C@H]2CN1OS(=O)(=O)c1ccc(C)cc1 ZINC000071296065 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2 ZINC000071296075 KK Annotated Mild O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1O)c1ccc3ccc(O)cc3c1N2 ZINC000071296084 KK Annotated Anodyne O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1O)c1ccc3ccc(O)cc3c1N2 ZINC000071296085 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000071296122 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(c1)C(=O)/C(=C/c1cccc(Cl)c1)O2 ZINC000071296158 KK Annotated Mild C/C=C/C=C/C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000071296161 KK Annotated Anodyne COc1cccc(CN(C)[C@@H](C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5[C@]6(C)CSC(C(C)C)=N[C@H]6CC[C@@]56C[C@@]46C(=O)C[C@]23C)c1 ZINC000071296162 KK Annotated Anodyne Cc1ccc2nc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1 ZINC000071296231 KK Annotated Anodyne O=C(O)CCCNc1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000071296263 KK Annotated Bother Cc1[nH]c2ccccc2c1C(=O)c1nn(-c2ccccc2)nc1NC(=O)c1cnn2c(-c3ccccc3)ccnc12 ZINC000071296279 KK Annotated Anodyne CCCC(CCC)c1ccc(OCc2ccc(-c3csc(CN(CC(=O)O)Cc4ncc(C(C)(C)C)s4)n3)cc2)cc1 ZINC000071296324 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc(O)c(OC)c1 ZINC000071296434 KK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc(O)c(OC)c1 ZINC000071296435 KK Annotated Bother C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296444 KK Annotated Anodyne C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296445 KK Annotated Anodyne C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296446 KK Annotated Anodyne C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@]2(c3ccc(C(F)(F)F)cc3)Cc3ccccc3O2)CC1 ZINC000071296447 KK Annotated Anodyne CCCCC(O)(CCCC)[C@H](Cc1cn(C)c2ccccc12)NCc1c2ccccc2cc2ccccc12 ZINC000071296457 KK Annotated Bother CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)sc12 ZINC000071296492 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1 ZINC000071296616 KK Annotated Bother C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC)O[C@@H]3OC(C)=O ZINC000071296656 KK Annotated Mild O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)o2)cc1 ZINC000071296666 KK Annotated Bother C=C(C)[C@@H]1CCC2=C(CC[C@]3(C)[C@@H]([C@@H](CCC=C(C)C)C(=O)OC)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC ZINC000071296774 KK Annotated Mild CCCCN(c1cccc(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)O)c(C)c1C ZINC000071296842 KK Annotated Anodyne CCCCN(c1cccc(-c2cccc(Cl)c2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)O)c(C)c1C ZINC000071296843 KK Annotated Anodyne O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1nnc(SCc2ccc(Cl)cc2)n1C1CC1 ZINC000071296868 KK Annotated Anodyne COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(NC(=O)c3ccncc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000071296977 KK Annotated Mild COC1=C(C(=O)c2ccccc2)C(=O)[C@]2(CC=C(C)C)C[C@H](CC=C(C)C)C(C)(C)[C@@]1(CC=C(C)C)C2=O ZINC000071296994 KK Annotated Mild Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1 ZINC000071297072 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(O[C@@H]4CCCN(C)C4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071297084 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(O[C@H]4CCCN(C)C4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071297085 KK Annotated Anodyne Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn23)cc1 ZINC000071297090 KK Annotated Anodyne CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(C(=O)N/N=C/c3cccc4ccccc34)sc2n1 ZINC000071315757 KK Annotated Reactive C[C@@H]1C(=NNC(=S)Nc2ccccc2)[C@@H](C)[C@H](c2ccc(Br)cc2)O[C@@H]1c1ccc(Br)cc1 ZINC000071315863 KK Annotated Mild CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)O)c(F)c1F ZINC000071315864 KK Annotated Anodyne CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)O)c(F)c1F ZINC000071315865 KK Annotated Anodyne CC(C)(C)OC(=O)Nc1cc(CN2C(=O)N(c3ccc(SC(F)(F)F)cc3)C(=O)C2(C)C)ccn1 ZINC000071315895 KK Annotated Anodyne O=C1CSc2ccc(C(F)(F)F)cc2N1Cc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000071315952 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000071316024 KK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000071316025 KK Annotated Bother COc1ccc2c(c1)sc1nc(-c3c[nH]c4ccc(Br)cc34)c(Nc3ccc(F)cc3)n12 ZINC000071316101 KK Annotated Anodyne Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1 ZINC000071316111 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2Cl)/C(=N\C(C)=O)[C@]12C(=O)C(Cl)=C(Cl)C(OC(C)=O)=C2C#N ZINC000071316254 KK Annotated Reactive CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2Cl)/C(=N\C(C)=O)[C@@]12C(=O)C(Cl)=C(Cl)C(OC(C)=O)=C2C#N ZINC000071316255 KK Annotated Reactive Cc1ccc(S(=O)(=O)N(c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000071316405 KK Annotated Anodyne CC(C)CCCCCCCCCCCCCCOCCCO[P@](=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O ZINC000071316446 KK Annotated Anodyne Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3sc4cc(F)ccc4n23)cc1 ZINC000071316485 KK Annotated Anodyne Brc1cccc(Cn2cc(Cc3cn(Cc4cccc(Br)c4)c4ccccc34)c3ccccc32)c1 ZINC000071316494 KK Annotated Anodyne Cc1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1 ZINC000071316520 KK Annotated Anodyne CC(C)(C)c1ccc(NC(=O)CCCCN)c(-c2ccc(-c3cc(C(C)(C)C)ccc3NC(=O)CCCCN)nn2)c1 ZINC000071316554 KK Annotated Anodyne COC(=O)[C@]1(C)CCC[C@@]2(C)C3=CC[C@@H]4C[C@@]3(CC[C@H]12)C[C@@]4(COC(=O)c1ccco1)OC(=O)c1ccco1 ZINC000071316681 KK Annotated Anodyne CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)N3CCC(c4cccc(C(F)(F)F)c4)CC3)sc12 ZINC000071316749 KK Annotated Anodyne N#CC(C#N)=C(SCc1nnc(-c2ccc(Cl)cc2)o1)SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000071316765 KK Annotated Reactive Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4nnc(-c5ccc(F)cc5)o4)cn23)cc1 ZINC000071316771 KK Annotated Anodyne Cc1ccc(-c2cnc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1 ZINC000071316781 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(I)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000071317041 KK Annotated Bother CCOP(=O)(OCC)[C@@H](Nc1ccc(I)cc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000071317042 KK Annotated Bother CCCC[C@H](Oc1ccc(S(=O)(=O)N(CCCC)c2cccc(-c3ccc(Cl)cc3)c2C)c(C)c1C)C(=O)O ZINC000071317048 KK Annotated Anodyne CCCC[C@@H](Oc1ccc(S(=O)(=O)N(CCCC)c2cccc(-c3ccc(Cl)cc3)c2C)c(C)c1C)C(=O)O ZINC000071317049 KK Annotated Anodyne COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000071317084 KK Annotated Anodyne Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(NC(C)C)n1 ZINC000071317102 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N(CC(=O)NCCCCCC(=O)O)C[C@H](c2ccccc2Cl)c2cc(Cl)ccc21 ZINC000071317104 KK Annotated Anodyne O=C(O)[C@@H]1Cc2c(n(C(=O)c3cccc(F)c3F)c3ccccc23)[C@H]2C=C(Cl)C[C@@H](c3ccc(Br)cc3)N12 ZINC000071317218 KK Annotated Anodyne CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)O)c(Cl)c1Cl ZINC000071317334 KK Annotated Anodyne CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](C)C(=O)O)c(Cl)c1Cl ZINC000071317335 KK Annotated Anodyne C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 ZINC000071317348 KK Annotated Anodyne C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1 ZINC000071317349 KK Annotated Anodyne Cc1ccc(-c2nnc(CSC(SCc3nnc(-c4ccc(C)cc4)s3)=C(C#N)C#N)s2)cc1 ZINC000071317442 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1ccncc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(C(F)(F)F)c1 ZINC000071317455 KK Annotated Mild CON=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N[C@@H]2c1ccc(OCc2ccccc2)cc1 ZINC000071317456 KK Annotated Mild CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OCCCN(C)C)c(C)c3oc2=O)cc1CC=C(C)C ZINC000071317475 KK Annotated Anodyne Cc1ccc(-c2nnc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)o2)cc1 ZINC000071317496 KK Annotated Anodyne CCOC(=O)C1=C(c2ccccc2)N(c2ccc(OC)cc2)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071317652 KK Annotated Reactive CCOC(=O)C1=C(c2ccccc2)N(c2ccc(OC)cc2)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071317653 KK Annotated Reactive C=C(CC[C@@H](C(=O)OC)[C@H]1CC[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C ZINC000071317666 KK Annotated Mild C=CCNC(=O)N(CC=C)C(=O)N(CC=C)C(=O)O[C@H]1CC[C@@](C)(O)[C@@H]2O[C@H](CC1=C)[C@H]1C(=C)CC[C@H](C(C)C)[C@H]12 ZINC000071317708 KK Annotated Mild Cc1ccc(S(=O)(=O)N(c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000071317727 KK Annotated Anodyne CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@@H](CCC)C(=O)O)c(C)c1C ZINC000071317826 KK Annotated Anodyne CCCCN(c1cccc(-c2ccc(Cl)cc2)c1C)S(=O)(=O)c1ccc(O[C@H](CCC)C(=O)O)c(C)c1C ZINC000071317827 KK Annotated Anodyne Cn1cc(C(=O)c2nn(-c3ccccc3)nc2NC(=O)c2cnn3c(-c4cccs4)ccnc23)c2ccccc21 ZINC000071317917 KK 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)N(Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000071318192 KK Annotated Mild Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4ccc(N5CCCC5)nc4)c3)c3ccccc23)no1 ZINC000071318241 KK Annotated Anodyne COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCOC(C)=O ZINC000071318281 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000071318291 KK Annotated Mild Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1 ZINC000071318319 KK Annotated Anodyne O=C(O)CCNc1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccc([N+](=O)[O-])cc12 ZINC000071318324 KK Annotated Bother C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(=O)OC)[C@H](C(=C)C)CC3)C(C)C ZINC000071318455 KK Annotated Mild C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)(C)O ZINC000071318480 KK Annotated Mild N#Cc1ccc2c(c1)cc(C(=O)NCCC(O)(C(F)(F)F)C(F)(F)F)n2Cc1cccc(OC(F)(F)F)c1 ZINC000071318522 KK Annotated Mild Nc1ccn(C[C@@H](CO)OC[P@@](=O)(O)OCCCOCCCCCCCCCCCCCCC2CC2)c(=O)n1 ZINC000071318635 KK Annotated Anodyne CC(=O)O[C@H]1CC(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@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)[C@](C)(O)C1 ZINC000071318645 KK Annotated Mild C=C1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)COS(=O)OC[C@]4(C)CCC[C@]5(C)[C@@H]4CC[C@]46CC(=C)[C@H](CC[C@H]45)C6)[C@@H]2CC[C@@H]1C3 ZINC000071318860 KK Annotated Mild C=C1C[C@H]2O[C@H]([C@H]3[C@@H]2[C@]2(CC[C@@H]3C(C)C)CO2)[C@](C)(O)CC[C@@H]1OC(=O)N(Cc1ccccc1)C(=O)NCc1ccccc1 ZINC000071318903 KK Annotated Mild CCCCOC(=O)[C@@]1(C)C(=O)C(C#N)=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C ZINC000071318985 KK Annotated Reactive CC[C@@H](C)n1cc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Nc4cc(C)on4)c4ccccc43)c2)cn1 ZINC000071319087 KK Annotated Anodyne CC[C@H](C)n1cc(-c2cccc(Cn3cc(S(=O)(=O)CC(=O)Nc4cc(C)on4)c4ccccc43)c2)cn1 ZINC000071319088 KK Annotated Anodyne C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(=C)C)[C@](C)(CCC(=O)OC)C3=CC[C@]12C)C(C)C ZINC000071319183 KK Annotated Mild C=C(C)[C@H](O)CC/C(C)=C/CC/C(C)=C/C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000071319398 KK Annotated Mild in-vitro C=C(C)[C@@H](O)CC/C(C)=C/CC/C(C)=C/C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000071319399 KK Annotated Mild in-vitro CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071329040 KK Annotated Reactive CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N ZINC000071329041 KK Annotated Reactive Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1 ZINC000071329367 KK Annotated Anodyne Cc1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)o2)cc1 ZINC000071329373 KK Annotated Anodyne C=C1C(=O)[C@@]23[C@H]4C[C@H](OC(=O)C(F)(F)F)[C@@H]1[C@H]2OC(C)(C)O[C@@H]3C[C@@H]1[C@@](C)(COC(=O)C(F)(F)F)CCC[C@]14C ZINC000071329476 KK Annotated Mild O=C(NCc1cc(=O)n2c(c1-c1cccc(C(F)(F)F)c1)SC[C@H]2C(=O)O)c1cccc2ccccc12 ZINC000071329529 KK Annotated Anodyne CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)[C@@H]3CCN(Cc4cccc(C(F)(F)F)c4)C3)sc12 ZINC000071329537 KK Annotated Anodyne COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2CCc2cc3ccc(Cl)cc3[nH]2)cc1 ZINC000071329612 KK Annotated Anodyne N#CC(C#N)=C(SCc1nnc(-c2ccc(Cl)cc2)s1)SCc1nnc(-c2ccc(Cl)cc2)s1 ZINC000071329613 KK Annotated Reactive COc1ccc([C@H]2CN(CCc3ccc(OC)c(OC)c3)C[C@@H]2Cc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000071329657 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000071330143 KK Annotated Mild O=[N+]([O-])c1ccc2nc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]c2c1 ZINC000071330233 KK Annotated Bother O=C1COc2c(Cl)cc(Cl)cc2N1Cc1nnc(CCc2ccc(Cl)cc2)n1CCC(F)(F)F ZINC000071330798 KK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc(OCc4ccc(F)cc4)c3)cc(=O)n21 ZINC000071330831 KK Annotated Anodyne C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@H](Oc2ccccc2C#N)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071330867 KK Annotated Mild C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@H](Oc2ccccc2C#N)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071330868 KK Annotated Mild C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@H](Oc2ccccc2C#N)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071330870 KK Annotated Mild C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC([C@@H](Oc2ccccc2C#N)c2ccc(C(F)(F)F)cc2)CC1 ZINC000071330872 KK Annotated Mild CCCCC(O)(CCCC)[C@H](Cc1cn(CC)c2ccccc12)NCc1c2ccccc2cc2ccccc12 ZINC000071331014 KK Annotated Bother CC(C)c1oc(-c2ccccc2C(F)(F)F)nc1CCc1noc2cc(OC(C)(C)C(=O)O)ccc12 ZINC000071331107 KK Annotated Anodyne C/C(=N\N=C1\NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)S1)c1nc(-c2ccccc2)[nH]c1C ZINC000071331283 KK Annotated Mild COc1ccc(/C=C2\CCCC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000071331390 KK Annotated Anodyne NC1=C(c2nc(-c3ccccc3)no2)[C@@H](c2ccc(Cl)cc2)C2=C(O1)/C(=C/c1ccc(Cl)cc1)CCC2 ZINC000071331557 KK Annotated Anodyne NC1=C(c2nc(-c3ccccc3)no2)[C@H](c2ccc(Cl)cc2)C2=C(O1)/C(=C/c1ccc(Cl)cc1)CCC2 ZINC000071331559 KK Annotated Anodyne CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331590 KK Annotated Anodyne CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000071331593 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1cc4cc(Br)ccc4cc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 ZINC000071331607 KK Annotated Bother C=C(c1c(-c2cccc(Br)c2)[nH]c2ccccc12)c1c(-c2cccc(Br)c2)[nH]c2ccccc12 ZINC000071331728 KK Annotated Anodyne c1cc(C[n+]2ccc(NC3CCCCC3)cc2)ccc1CCCCc1ccc(C[n+]2ccc(NC3CCCCC3)cc2)cc1 ZINC000071332350 KK Annotated Anodyne Cc1c2c(C)c3c(C)c1C[n+]1ccc(cc1)NCc1cc(cc(c1)CNc1cc[n+](cc1)C3)CNc1cc[n+](cc1)C2 ZINC000071332380 KK Annotated Anodyne C/C(=N\NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc(-c2ccccc2)[nH]c1C ZINC000071332931 KK Annotated Reactive CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc(F)c2)/C(=C/c2cccc(F)c2)C1 ZINC000071333192 KK Annotated Anodyne Brc1cc(Br)cc(CSc2cccc(N/C(=N/C3CCCCC3)NC3CCCCC3)c2)c1 ZINC000071333970 KK Annotated Mild Cc1ccc(-c2ccc(N3C[C@H](CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)s1 ZINC000071334416 KK Annotated Mild Cc1ccc(-c2ccc(N3C[C@@H](CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)s1 ZINC000071334420 KK Annotated Mild COc1ccc(S(=O)(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)O)c([N+](=O)[O-])c1 ZINC000071334429 KK Annotated Bother CC[C@H](Oc1ccc(SCc2ccc(Cl)cc2)cc1)C(=O)c1nc(C)c(CCCC(=O)O)s1 ZINC000071334501 KK Annotated Anodyne CC[C@@H](Oc1ccc(SCc2ccc(Cl)cc2)cc1)C(=O)c1nc(C)c(CCCC(=O)O)s1 ZINC000071334503 KK Annotated Anodyne COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000071334638 KK Annotated Anodyne COc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000071334642 KK Annotated Anodyne Cc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1C ZINC000071334644 KK Annotated Anodyne Cc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1C ZINC000071334647 KK Annotated Anodyne C=C(C)[C@@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@@H]3CCCCO3)cc2O)ccc1OC ZINC000071334672 KK Annotated Mild C=C(C)[C@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@@H]3CCCCO3)cc2O)ccc1OC ZINC000071334675 KK Annotated Mild C=C(C)[C@@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@H]3CCCCO3)cc2O)ccc1OC ZINC000071334678 KK Annotated Mild C=C(C)[C@H](C)c1cc(C(=O)/C=C/c2cc(Br)c(O[C@H]3CCCCO3)cc2O)ccc1OC ZINC000071334680 KK Annotated Mild CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000071334783 KK Annotated Clean CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 ZINC000071334787 KK Annotated Clean C/C=C1/C[N+]2(C)CCc3c([nH]c4ccc(O)c(C5=C[C@@]6(CC)CCCN7CCc8c(n5c5ccccc85)[C@H]76)c34)[C@H]2C[C@@H]1CCO ZINC000071334867 KK Annotated Bother C/C(=N\N=C1\NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)S1)c1nc(-c2ccccc2)[nH]c1C ZINC000071340456 KK Annotated Mild CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340502 KK Annotated Anodyne CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000071340503 KK Annotated Anodyne SC1=N[C@@H](c2cccc3ccccc23)C2=C(N1)/C(=C/c1cccc3ccccc13)CN(Cc1ccccc1)C2 ZINC000071340718 KK Annotated Anodyne SC1=N[C@H](c2cccc3ccccc23)C2=C(N1)/C(=C/c1cccc3ccccc13)CN(Cc1ccccc1)C2 ZINC000071340719 KK Annotated Anodyne Cc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000071340814 KK Annotated Anodyne Cc1ccc(/C=C2\CN(C)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000071340815 KK Annotated Anodyne O=C(c1ccc(-c2cccc(CN3CCCC3)c2)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F ZINC000071340912 KK Annotated Clean O=C(c1ccc(-c2cccc(CN3CCCC3)c2)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F ZINC000071340913 KK Annotated Clean COc1ccccc1/C=C1\CCCC2=C1OC(N)=C(c1nc(-c3ccccc3)no1)[C@@H]2c1ccccc1OC ZINC000071341198 KK Annotated Anodyne COc1ccccc1/C=C1\CCCC2=C1OC(N)=C(c1nc(-c3ccccc3)no1)[C@H]2c1ccccc1OC ZINC000071341199 KK Annotated Anodyne COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@H]2c1ccccc1OC ZINC000071341229 KK Annotated Anodyne COc1ccccc1/C=C1\CN(C)CC2=C1OC(N)=C(c1nc(-c3ccc(Cl)cc3)no1)[C@@H]2c1ccccc1OC ZINC000071341230 KK Annotated Anodyne CCCCCCCCS(=O)(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)O ZINC000071341258 KK Annotated Mild O=C(c1ccc(-c2cccc(CN3CCCC3)c2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O ZINC000071341315 KK Annotated Clean O=C(c1ccc(-c2cccc(CN3CCCC3)c2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O ZINC000071341316 KK Annotated Clean C=C(c1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12)c1c(-c2ccc(OC)c(OC)c2)[nH]c2ccccc12 ZINC000071341452 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccc(Br)cc4ccc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000071341468 KK Annotated Bother Cc1ccc(OC(C)C)c(-c2ccc(N3C[C@H](CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)c1 ZINC000071341510 KK Annotated Mild Cc1ccc(OC(C)C)c(-c2ccc(N3C[C@@H](CNC(=O)c4ccc(-c5nc6cc(C#N)cc(C(C)C)c6o5)cc4)OC3=O)nc2)c1 ZINC000071341511 KK Annotated Mild C/C(=N\NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nc(-c2ccccc2)[nH]c1C ZINC000071341529 KK Annotated Reactive c1ccc2c(c1)CCN(c1cc[n+](Cc3ccc(C[n+]4ccc(N5CCc6ccccc6C5)cc4)cc3)cc1)C2 ZINC000071341568 KK Annotated Anodyne C/C=C1/C[N+]2(C)CCc3c([nH]c4ccc(O)c([C@@H]5C[C@@]6(CC)CCCN7CCc8c(n5c5ccccc85)[C@H]76)c34)[C@H]2C[C@@H]1CCO ZINC000071341638 KK Annotated Clean COc1cc(CN[C@H]2CC[C@H](OCC#Cc3c(-c4ccccc4)oc4ccccc34)O[C@H]2C)cc(OC)c1OC ZINC000071341653 KK Annotated Mild C=C(C)c1ccc(N2C[C@@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1 ZINC000071341684 KK Annotated Mild C=C(C)c1ccc(N2C[C@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1 ZINC000071341685 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@H]4CN(c5ccc(-c6ccccc6C#N)cn5)C(=O)O4)cc3)oc12 ZINC000071341692 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@H]4CN(c5ccc(-c6ccccc6C#N)cn5)C(=O)O4)cc3)oc12 ZINC000071341693 KK Annotated Mild O=C(NC1CC1)c1ccc(OCCC[C@@H]2C[C@@H]2CCCC2CCN(c3ncc(Cl)cn3)CC2)cc1F ZINC000071341741 KK Annotated Anodyne O=C(NC1CC1)c1ccc(OCCC[C@H]2C[C@@H]2CCCC2CCN(c3ncc(Cl)cn3)CC2)cc1F ZINC000071341742 KK Annotated Anodyne O=C(NC1CC1)c1ccc(OCCC[C@@H]2C[C@H]2CCCC2CCN(c3ncc(Cl)cn3)CC2)cc1F ZINC000071341743 KK Annotated Anodyne O=C(NC1CC1)c1ccc(OCCC[C@H]2C[C@H]2CCCC2CCN(c3ncc(Cl)cn3)CC2)cc1F ZINC000071341744 KK Annotated Anodyne COc1cc2c(c3c1c(=O)c1c4ccc(Br)cc4ccc1n3C)[C@H]1OC(=O)O[C@H]1C(C)(C)O2 ZINC000071342083 KK Annotated Bother COc1cc2c(c3c1c(=O)c1cc4cc(Br)ccc4cc1n3C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)O2 ZINC000071405044 KK Annotated Bother CC(C)CCN(CCC(C)C)[C@H]1CC[C@H](OCC#Cc2c(-c3ccccc3)oc3ccccc23)O[C@H]1C ZINC000071410493 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1NCCc3cc(O)c4oc5c6c(cc(OC)c5ooc4c31)CCN(C)[C@H]6C2 ZINC000071692488 KK Annotated Bother CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1ccncc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccccc2)c1 ZINC000071721243 KK Annotated Mild CC(=O)O[C@@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]34O[C@@]3(C)C[C@H](O)CC4(C)C)C(=O)O2)[C@@](C)(O)C1 ZINC000071789125 KK Annotated Bother in-vivo CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000071789131 KK Annotated Bother in-vivo CC[C@]1(O)O[C@H]([C@H]2C[C@H](C)[C@H]([C@]3(CC)CC[C@H]([C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O5)O4)O3)O2)[C@@H](C)C[C@H]1C ZINC000071928287 KK Annotated Anodyne in-man CC[C@]1(O)O[C@H]([C@H]2C[C@H](C)[C@H]([C@]3(CC)CC[C@H]([C@]4(C)CC[C@@]5(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O5)O4)O3)O2)[C@@H](C)C[C@H]1C ZINC000071928288 KK Annotated Anodyne in-man COc1ccc(CN[C@@H](CCc2ccccc2)c2nc(Cc3ccccc3)c(N3CCCCC3)o2)cc1OC ZINC000072101124 KK Annotated Anodyne COc1ccc(CN[C@H](CCc2ccccc2)c2nc(Cc3ccccc3)c(N3CCCCC3)o2)cc1OC ZINC000072101126 KK Annotated Anodyne COc1ccc([C@@H]2SCC(=O)N2NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 ZINC000072101741 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](CC(=O)NC(c3ccccc3)c3ccccc3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000072102309 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NC(c3ccccc3)c3ccccc3)CC(C(=O)N(C(C)C)C(C)C)=C2C)cc1 ZINC000072102310 KK Annotated Anodyne CC(C)[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072102922 KK Annotated Anodyne CC(C)[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072102923 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103197 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072103198 KK Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072103201 KK Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072103202 KK Annotated Anodyne COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4cc(OC)c(OC)c(OC)c4)ccc3n2C)c1 ZINC000072103329 KK Annotated Mild CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072103341 KK Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103477 KK Annotated Anodyne O=C(OCc1cn([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103478 KK Annotated Anodyne O=C(OCc1cn([C@H]2C[C@@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072103479 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072103623 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072103624 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4F)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2F)cc1 ZINC000072103764 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(F)cc1 ZINC000072103964 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(F)cc1 ZINC000072103965 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072103974 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072104267 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2ccco2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072104268 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072104313 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4cccc(C)c4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000072104365 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccccc2C)[C@H](c2ccccc2)C1 ZINC000072104385 KK Annotated Anodyne O=C(OCc1cn([C@@H]2CN(CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072104493 KK Annotated Anodyne O=C(OCc1cn([C@H]2CN(CC3CCCCC3)[C@H](c3ccc(Cl)cc3)C[C@@H]2O)nn1)c1ccccc1 ZINC000072104494 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072104622 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072104623 KK Annotated Anodyne O=S1(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)C[n+]2ccn(c2)Cc2ccc1cc2 ZINC000072104737 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072104777 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OCC)c(OCc3oc4cc(OCC)c(OS(=O)(=O)O)cc4c3C(=O)OCC)cc12 ZINC000072104796 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2cccc3ccccc23)C1 ZINC000072104842 KK Annotated Mild CCCCCCCCCCCCn1cc[n+](C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 ZINC000072105115 KK Annotated Mild Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072105157 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(C#Cc4ccc(OC)c(OC)c4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000072105159 KK Annotated Mild CCOC(=O)c1cc2c(c(-c3cccc(C#Cc4ccc(OC)c(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000072105160 KK Annotated Mild CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072105165 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072105166 KK Annotated Anodyne O=C1c2ccc(cc2)C[n+]2ccn(c2)Cc2ccc(cc2)S(=O)(=O)c2ccc(cc2)Cn2cc[n+](c2)Cc2ccc(cc2)C(=O)c2cccc1c2 ZINC000072105170 KK Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCn1cc[n+](Cc2ccc(F)cc2F)c1 ZINC000072105185 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000072105243 KK Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCn1cc[n+](Cc2ccc(F)cc2F)c1 ZINC000072105294 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000072105356 KK Annotated Mild O=C1/C(=C\c2cn(C(=O)c3ccc(Cl)cc3)c3ccccc23)c2ccccc2N1C(=O)c1ccc(Cl)cc1 ZINC000072105390 KK Annotated Clean COc1cc2c(cc1OCCCCCOc1ccc3nc(C)n(-c4ccc(I)cc4C)c(=O)c3c1)N=C[C@@H]1CCCN1C2=O ZINC000072105532 KK Annotated Anodyne CCCCCCCCc1cc(Cc2ccc(Br)cc2)c(/C=C2\N=C(c3ccc[nH]3)C=C2OC)[nH]1 ZINC000072105562 KK Annotated Mild COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(Cl)cc2Cl)cc1Cc1ccc(Cl)cc1Cl ZINC000072105880 KK Annotated Anodyne Cc1ccc(S(=O)(=O)OC[C@@H]2CN(C(=O)c3cc4cc(OCCO)ccc4[nH]3)c3cc([N+](=O)[O-])c4ccccc4c32)cc1 ZINC000072105886 KK Annotated Mild Cc1ccc(S(=O)(=O)OC[C@H]2CN(C(=O)c3cc4cc(OCCO)ccc4[nH]3)c3cc([N+](=O)[O-])c4ccccc4c32)cc1 ZINC000072105887 KK Annotated Mild COc1ccc2[nH]c(C(=O)N3C[C@@H](COS(=O)(=O)c4ccc(C)cc4)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000072105888 KK Annotated Mild COc1ccc2[nH]c(C(=O)N3C[C@H](COS(=O)(=O)c4ccc(C)cc4)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000072105889 KK Annotated Mild C(CN1CCOCCOCCN(CCCC23CC4CC(CC(C4)C2)C3)CCOCCOCC1)CC12CC3CC(CC(C3)C1)C2 ZINC000072105920 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@](=O)(O)CO[C@H](COC)Cn1cnc2c(OC)ncnc21 ZINC000072105972 KK Annotated Mild CCCCCCCC[n+]1cnn(CC(O)(Cn2c[n+](CCCCCCCC)cn2)c2ccc(F)cc2F)c1 ZINC000072105982 KK Annotated Mild COc1cc(N2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc(OC)c1OC ZINC000072106065 KK Annotated Anodyne O=C1/C(=C\c2cn(C(=O)c3c(Cl)cccc3Cl)c3ccccc23)c2ccccc2N1C(=O)c1c(Cl)cccc1Cl ZINC000072106109 KK Annotated Clean COc1cc2c(cc1OCCCCOc1ccc3nc(C)n(-c4ccc(I)cc4C)c(=O)c3c1)N=C[C@@H]1CCCN1C2=O ZINC000072106115 KK Annotated Anodyne C=C1CN(S(=O)(=O)c2ccc(C)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000072106145 KK Annotated Mild C=C1CN(S(=O)(=O)c2ccc(OC)cc2)CCCN(CC2CCCCC2)CCCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)C1 ZINC000072106146 KK Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000072106180 KK Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000072106181 KK Annotated Mild O=C(CCC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCN(C(=O)CCC23CC4CC(CC(C4)C2)C3)CCOCCOCC1 ZINC000072106184 KK Annotated Anodyne O=C1/C(=C\c2cn(C(=O)c3ccccc3)c3ccccc23)c2ccccc2N1c1c(Cl)cccc1Cl ZINC000072106198 KK Annotated Clean COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(Br)cc2)cc1Cc1ccc(F)cc1 ZINC000072106201 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)c4ccc(C)cc4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000072106293 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)c4ccc(C)cc4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000072106294 KK Annotated Mild COc1cc2c(cc1OCCCCCOc1ccc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)cc1)N=C[C@@H]1CCCN1C2=O ZINC000072106342 KK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(Br)cc2)cc1Cc1ccc(Cl)cc1 ZINC000072106390 KK Annotated Anodyne CCCCCCCCCCCCCCCC[n+]1cnn(CC(O)(Cn2c[n+](CCCCCCCCCCCCCCCC)cn2)c2ccc(F)cc2F)c1 ZINC000072106422 KK Annotated Mild COc1cc2c(cc1OCCCCCOc1ccc3nc(C)n(-c4ccc(F)c(Cl)c4)c(=O)c3c1)N=C[C@@H]1CCCN1C2=O ZINC000072106440 KK Annotated Anodyne C1COCCN(CCC23CC4CC(CC(C4)C2)C3)CCOCCOCCN(CCC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000072106445 KK Annotated Anodyne O=C1/C(=C/c2ccc(C3CCCCC3)cc2)Oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c21 ZINC000072106475 KK Annotated Mild CCOC(=O)c1c(C)oc2cc(OC(C)C)c(OCc3oc4cc(OC(C)C)c(OS(=O)(=O)O)cc4c3C(=O)OCC)cc12 ZINC000072106508 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1ccc3nc(C)n(-c4ccc(Cl)cc4Cl)c(=O)c3c1)N=C[C@@H]1CCCN1C2=O ZINC000072106519 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCn1cc[n+](C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 ZINC000072106555 KK Annotated Mild CCCCCCCCCCCC[n+]1cnn(CC(O)(Cn2c[n+](CCCCCCCCCCCC)cn2)c2ccc(F)cc2F)c1 ZINC000072106556 KK Annotated Mild O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCn1c[n+](Cc2ccc(Cl)c(Cl)c2)cn1 ZINC000072106562 KK Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCCn1c[n+](Cc2ccc(F)cc2F)cn1 ZINC000072106567 KK Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCCn1cc[n+](Cc2ccc(F)cc2F)c1 ZINC000072106568 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12 ZINC000072106593 KK Annotated Clean COc1ccc(/C=C/C(=O)N2C[C@H](COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2ccccc32)cc1O ZINC000072106615 KK Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2ccccc32)cc1O ZINC000072106616 KK Annotated Mild CN(c1cc2ncc(=O)[nH]c2cc1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCCCC1 ZINC000072106618 KK Annotated Anodyne O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCn1c[n+](Cc2ccc(Cl)cc2Cl)cn1 ZINC000072106639 KK Annotated Anodyne COc1cc2c(cc1OCCCOc1ccc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)cc1)N=C[C@@H]1CCCN1C2=O ZINC000072106647 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1ccc(-n3c(/C=C/c4ccccc4)nc4ccccc4c3=O)cc1)N=C[C@@H]1CCCN1C2=O ZINC000072106648 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOCCO[P@](=O)(O)CO[C@H](COC)Cn1ccc(N)nc1=O ZINC000072106650 KK Annotated Mild CS(=O)(=O)c1ccc2c(c1)CCN(CCC1CCC(/N=C(O)\C(=C/c3cccc(C#N)c3)c3ccc(-c4ccccc4)cc3)CC1)CC2 ZINC000072106734 KK Annotated Mild COc1cc2oc(C)c(C(=O)OC(C)(C)C)c2cc1OCc1oc2cc(OC)c(OS(=O)(=O)O)cc2c1C(=O)OC(C)(C)C ZINC000072106738 KK Annotated Anodyne C1COCCN(CC23CC4CC(CC(C4)C2)C3)CCOCCOCCN(CC23CC4CC(CC(C4)C2)C3)CCO1 ZINC000072106858 KK Annotated Anodyne COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]c(Cc2ccc(Br)cc2)cc1Cc1ccc(Br)cc1 ZINC000072106984 KK Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107064 KK Annotated Mild C[C@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107065 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)C4CCCCC4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000072107118 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)C4CCCCC4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000072107119 KK Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](COS(=O)(=O)C4CCCCC4)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000072107120 KK Annotated Mild CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](COS(=O)(=O)C4CCCCC4)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 ZINC000072107121 KK Annotated Mild Cc1cccc(CN2C/C(=C\c3ccc(O)c(Br)c3)C(=O)/C(=C/c3ccc(O)c(Br)c3)C2)c1 ZINC000072107194 KK Annotated Mild C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1c(-c2ccc(OC(F)(F)F)cc2)nc2sccn12 ZINC000072107241 KK Annotated Mild COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O ZINC000072107255 KK Annotated Mild CC(C)(C)OC(=O)NC1(C(=O)O/N=C2\c3ccccc3-c3c2c(N2CCN(c4ccccn4)CC2)nc2ccc(Br)cc32)CCCC1 ZINC000072107272 KK Annotated Mild CCCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107279 KK Annotated Mild CCCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107280 KK Annotated Mild Cc1ccccc1CN1C/C(=C\c2ccc(O)c(Br)c2)C(=O)/C(=C/c2ccc(O)c(Br)c2)C1 ZINC000072107291 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21)C(C)(C)C ZINC000072107387 KK Annotated Mild COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000072107409 KK Annotated Mild CCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107473 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107474 KK Annotated Mild CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107507 KK Annotated Mild CCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107577 KK Annotated Mild CCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107613 KK Annotated Mild CCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072107620 KK Annotated Mild C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1c(-c2ccc(C(F)(F)F)cc2)nc2sc(C)c(C)n12 ZINC000072107683 KK Annotated Mild CCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072107738 KK Annotated Mild CCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072107739 KK Annotated Mild C[C@]1(OC(=O)CC(F)(F)F)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107743 KK Annotated Anodyne C[C@@]1(OC(=O)CC(F)(F)F)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107744 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C ZINC000072107835 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072107836 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072107837 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCC/C=C\CCCC/C=C\CCCCCCCCC/C=C/[C@@H](O)C#C ZINC000072107847 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000072107899 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000072107900 KK Annotated Mild CCCCCCCCn1c2ccccc2c2ccc(OC3=C(O)[C@@H](Cc4ccc5c(c4)OCO5)N(Cc4ccccc4)C3=O)cc21 ZINC000072107906 KK Annotated Mild C=C(C)O[C@H]1[C@@H](C)C[C@]2(OC(=O)/C=C/c3ccccc3)C(=O)/C(C)=C/[C@H]3[C@H](C/C=C(/C)[C@H](OC(=C)C)[C@@H]12)C3(C)C ZINC000072107935 KK Annotated Mild CCCCCCCCCC(=O)Nc1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072107939 KK Annotated Mild CCCCCCCCCC(=O)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 ZINC000072107940 KK Annotated Mild CCCCCCCCCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107958 KK Annotated Mild CCCCCCCCCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072107959 KK Annotated Mild C=C1[C@H](OCC(C)C)C[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000072107998 KK Annotated Mild CC[C@@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC ZINC000072108027 KK Annotated Mild COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000072108510 KK Annotated Mild CSCCc1nc2cc(N(C)C3CCCCC3)c(Nc3nc(-c4ccccc4)cs3)cc2[nH]c1=O ZINC000072108588 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108635 KK Annotated Mild CCCCCCCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072108643 KK Annotated Mild CN(c1cc2nc(Cc3ccccc3)c(=O)[nH]c2cc1Nc1nc(-c2ccccc2)cs1)C1CCCCC1 ZINC000072108674 KK Annotated Anodyne COc1ccc(Nc2nc3cc4c(=O)cc(-c5ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc5)oc4cc3n2[C@H](C)C2CCCCC2)cc1 ZINC000072108730 KK Annotated Anodyne COc1ccc(-n2c(C)nc3ccc(OCCCCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cc3c2=O)cc1 ZINC000072108764 KK Annotated Anodyne CCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108829 KK Annotated Mild CCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072108830 KK Annotated Mild CCCCCCCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072108831 KK Annotated Mild O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2ccccc2Cl)C/C1=C\c1ccc(O)c(Br)c1 ZINC000072108848 KK Annotated Mild CC[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC ZINC000072109081 KK Annotated Mild C=CCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](OC(=O)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]1O ZINC000072109107 KK Annotated Reactive O=S(=O)(NCCC[C@@H]1CCCN(CCCCC/N=C(O)/C=C\c2ccc(Cl)c(Cl)c2)C1)c1ccc(Br)cc1 ZINC000072109142 KK Annotated Mild CCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072109177 KK Annotated Mild Cc1cc(-c2cc(C(=O)N[C@@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000072109252 KK Annotated Anodyne Cc1cc(-c2cc(C(=O)N[C@H]3C(C)(C)[C@H]4CC[C@]3(C)C4)nn2Cc2ccc(CNCCCCCCN)cc2)ccc1Cl ZINC000072109253 KK Annotated Anodyne CCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072109289 KK Annotated Mild CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)C(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3[C@]1(C)C(=O)O ZINC000072109305 KK Annotated Anodyne N#Cc1cc(Cl)cc(Oc2cc(OCc3n[nH]c(-c4ccc(-c5nnn[nH]5)cc4)c3Cl)ccc2Cl)c1 ZINC000072109328 KK Annotated Mild CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072109346 KK Annotated Mild CC(C)(C)OC(=O)NCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109347 KK Annotated Anodyne CC(C)(C)OC(=O)NCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109348 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109369 KK Annotated Mild CCCCCCCCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109370 KK Annotated Mild CC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072109649 KK Annotated Mild O=C1/C(=C/c2ccc(O)c(Br)c2)CN(Cc2cccc(Cl)c2)C/C1=C\c1ccc(O)c(Br)c1 ZINC000072109668 KK Annotated Mild CCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072109730 KK Annotated Mild CC(=O)N(C1=NN(C(C)=O)[C@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 ZINC000072109741 KK Annotated Bother CC(=O)N(C1=NN(C(C)=O)[C@@H](c2cc3cccc(Cl)c3nc2Cl)S1)c1ccc([N+](=O)[O-])cc1 ZINC000072109742 KK Annotated Bother CCCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109761 KK Annotated Mild CCCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109762 KK Annotated Mild CN(C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072109767 KK Annotated Mild COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C ZINC000072109831 KK Annotated Mild CCCCCCC(=O)O[C@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109835 KK Annotated Anodyne CCCCCCC(=O)O[C@@]1(C)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072109836 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)C ZINC000072109846 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O ZINC000072109910 KK Annotated Mild CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000072110047 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000072110079 KK Annotated Mild COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1C ZINC000072110198 KK Annotated Mild CCCCCCC(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000072110211 KK Annotated Mild COc1cc2c(cc1OCCCCC(=O)Nc1ccc(C)c(Nc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3)c1)N=C[C@@H]1CCCN1C2=O ZINC000072110248 KK Annotated Anodyne COc1cc2c(cc1OCCCCC(=O)Nc1ccc(C)c(Nc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3)c1)N=C[C@@H]1C[C@H](F)CN1C2=O ZINC000072110308 KK Annotated Anodyne CC1=C[C@H](c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)[C@](C)(/C=C/c2cc(-c3coc4cc(O)cc(O)c4c3=O)ccc2O)CC1 ZINC000072110371 KK Annotated Anodyne C[C@@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCC(F)(F)C1 ZINC000072110397 KK Annotated Anodyne C[C@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCC(F)(F)C1 ZINC000072110398 KK Annotated Anodyne C[C@@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCC(F)(F)C1 ZINC000072110399 KK Annotated Anodyne C[C@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCC(F)(F)C1 ZINC000072110400 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)C4CCCCC4)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC ZINC000072110408 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)C4CCCCC4)c4c3cc(N)c3ccccc43)[nH]c2c(OC)c1OC ZINC000072110409 KK Annotated Mild CC(C)C[C@H](NC(=O)c1ccc(-c2cc(=O)c3cc([N+](=O)[O-])c(N[C@H](C)C4CCCCC4)cc3o2)cc1)C(N)=O ZINC000072110435 KK Annotated Bother CC(C)C[C@H](NC(=O)c1ccc(-c2cc(=O)c3cc([N+](=O)[O-])c(N[C@@H](C)C4CCCCC4)cc3o2)cc1)C(N)=O ZINC000072110442 KK Annotated Bother CC(C)C[C@@H](NC(=O)c1ccc(-c2cc(=O)c3cc([N+](=O)[O-])c(N[C@H](C)C4CCCCC4)cc3o2)cc1)C(N)=O ZINC000072110932 KK Annotated Bother Oc1ccc2cc(Br)ccc2c1-c1cc2nc3ccccc3nc2c2ccc(Br)cc12 ZINC000072110966 KK Annotated Clean CC(C)C[C@@H](NC(=O)c1ccc(-c2cc(=O)c3cc([N+](=O)[O-])c(N[C@@H](C)C4CCCCC4)cc3o2)cc1)C(N)=O ZINC000072111247 KK Annotated Bother CCCCCCCCCCn1cc[n+](C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 ZINC000072111400 KK Annotated Mild CC(C)Oc1cc(NC(=N)c2ccc(N3CCCC3)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(N4CCCC4)cn3)cc2OC(C)C)o1 ZINC000072111459 KK Annotated Anodyne CC(C)C[C@@]12C(=O)N(c3ccc(Br)cc3)C(=O)N1[C@H](c1ccc(Br)cc1)[C@@H]1C(=O)N(C(C)(C)C)C(=O)[C@@H]12 ZINC000072111922 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072111923 KK Annotated Anodyne O=C(C/C(=N\Nc1nc(N/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1)C(F)(F)F)C(F)(F)F ZINC000072111978 KK Annotated Mild O=C(C/C(=N/Nc1nc(N/N=C(\CC(=O)C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1)C(F)(F)F)C(F)(F)F ZINC000072111979 KK Annotated Mild C=CCNC(=O)N(CC=C)C(=O)N(CC=C)C(=O)O[C@H]1CC/C(C)=C/[C@@H]2OC(=O)C(C)=C2CC/C(C)=C/CCC1=C ZINC000072111993 KK Annotated Mild CC(C)CCOc1cc(NC(=N)c2ncccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ncccn3)cc2OCCC(C)C)o1 ZINC000072112046 KK Annotated Anodyne CC(=O)Oc1ccccc1C(=O)OCOC(=O)OCCOc1ccc(-c2cc(=S)ss2)cc1 ZINC000072112093 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2ccn(C)n2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccn(C)n3)cc2OC(C)C)o1 ZINC000072112221 KK Annotated Anodyne COc1ccc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5ccc(OC)cn5)cc4OC(C)C)o3)c(OC(C)C)c2)nc1 ZINC000072112259 KK Annotated Anodyne CCc1c(C(=O)NC(C)(C)c2nnnn2C)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000072112261 KK Annotated Anodyne CCc1c(C(=O)NC(C)(C)c2noc(C(F)(F)F)n2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000072112262 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2ccc(N)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(N)cn3)cc2OC(C)C)o1 ZINC000072112314 KK Annotated Anodyne CC(=O)N(C)c1nc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5csc(N(C)C(C)=O)n5)cc4OC(C)C)o3)c(OC(C)C)c2)cs1 ZINC000072112315 KK Annotated Anodyne CC(C)Oc1cc(/N=C(/N)c2ncccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ncccn3)cc2OC(C)C)o1 ZINC000072112372 KK Annotated Mild CC(C)COc1cc(NC(=N)c2c[nH]cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3c[nH]cn3)cc2OCC(C)C)o1 ZINC000072112373 KK Annotated Anodyne CC(=O)Nc1nc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5csc(NC(C)=O)n5)cc4OC(C)C)o3)c(OC(C)C)c2)cs1 ZINC000072112427 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2cnccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3cnccn3)cc2OC(C)C)o1 ZINC000072112433 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2ccc(F)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(F)cn3)cc2OC(C)C)o1 ZINC000072112464 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2cn(C)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3cn(C)cn3)cc2OC(C)C)o1 ZINC000072112468 KK Annotated Anodyne COc1cc2c3c(-c4ccc(OC(C)C)c(OC)c4)c(-c4ccc(OC(C)C)c(OC)c4)[nH]c(=O)c3n(Cc3ccccc3)c2cc1OCc1ccccc1 ZINC000072112503 KK Annotated Anodyne CNc1nc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5csc(NC)n5)cc4OC(C)C)o3)c(OC(C)C)c2)cs1 ZINC000072112655 KK Annotated Anodyne CC(C)CCOc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccn3)cc2OCCC(C)C)o1 ZINC000072112656 KK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ncccn4)cc3OC3CCCC3)o2)c(OC2CCCC2)c1)c1ncccn1 ZINC000072112736 KK Annotated Mild CC(C)Oc1cc(NC(=N)c2ccc[nH]2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc[nH]3)cc2OC(C)C)o1 ZINC000072112769 KK Annotated Anodyne CC(C)(NC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1)c1noc(C(F)(F)F)n1 ZINC000072112938 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2ncc[nH]2)ccc1-c1ccc(-c2ccc(NC(=N)c3ncc[nH]3)cc2OC(C)C)o1 ZINC000072112948 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2ccc(Cl)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(Cl)cn3)cc2OC(C)C)o1 ZINC000072112949 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113029 KK Annotated Anodyne CC(C)N1CCC(Oc2cc(NC(=N)c3ccccn3)ccc2-c2ccc(-c3ccc(NC(=N)c4ccccn4)cc3OC3CCN(C(C)C)CC3)o2)CC1 ZINC000072113097 KK Annotated Anodyne CCCCCCCCCCCCCCn1cc[n+](C(c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1 ZINC000072113104 KK Annotated Mild CC(C)(C)CCOc1cc(NC(=N)c2ccccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccccn3)cc2OCCC(C)(C)C)o1 ZINC000072113112 KK Annotated Anodyne CC(C)COc1cc(/N=C(/N)c2ncccn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ncccn3)cc2OCC(C)C)o1 ZINC000072113245 KK Annotated Mild COc1cc(-c2cn(Cc3cc(Br)cc(Br)c3)nn2)ccc1-n1cnc(C)c1 ZINC000072113299 KK Annotated Anodyne O=C1c2c(c3sccc3c3ccoc23)C(=O)N1CCNCCCNCCN1C(=O)c2c(c3sccc3c3ccoc23)C1=O ZINC000072113351 KK Annotated Anodyne CC(C)(NC(=O)c1cn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1)c1nnc(C(F)(F)F)o1 ZINC000072113381 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113392 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2ccnn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113402 KK Annotated Anodyne O=C(O)c1cn(-c2ccc(Br)cc2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O ZINC000072113411 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cncn2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113446 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113484 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2csc(N)n2)ccc1-c1ccc(-c2ccc(NC(=N)c3csc(N)n3)cc2OC(C)C)o1 ZINC000072113528 KK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccc(Cl)cn4)cc3OC3CCCC3)o2)c(OC2CCCC2)c1)c1ccc(Cl)cn1 ZINC000072113676 KK Annotated Mild CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113704 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072113776 KK Annotated Anodyne CCN(CC)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](n3cnc4ccccc43)[C@@H]2OC(C)=O)C1 ZINC000072113836 KK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(NC(=N)c4ccccn4)cc3OC3CCNCC3)o2)c(OC2CCNCC2)c1)c1ccccn1 ZINC000072113949 KK Annotated Anodyne COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 ZINC000072113950 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 ZINC000072113951 KK Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 ZINC000072113952 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)NC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113953 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113954 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113955 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113962 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113963 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113964 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=S)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113965 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=S)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113966 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=S)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072113967 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)C[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072114000 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)C[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072114001 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)C[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072114002 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)[C@@H](N)CC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072114003 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1ccccc1C(F)(F)F)[C@@H](OC(=O)c1ccccc1C(F)(F)F)C(C)(C)O3 ZINC000072114006 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(C)(C)O3 ZINC000072114007 KK Annotated Anodyne S=c1[nH]nc(-c2cccnc2)n1/N=C\c1ccccc1OCCCOc1ccccc1/C=N\n1c(S)nnc1-c1cccnc1 ZINC000072114013 KK Annotated Mild CCCC(=O)O[C@H]1CC[C@@H]2C(=C[C@H](OC)[C@@H]3[C@@]2(C)CC[C@]2(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)CCC)CC[C@@]32C)C1(C)C ZINC000072114018 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)c3ccccc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccccc4)CC[C@@]3(C)[C@H]12 ZINC000072114019 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]3(C)[C@H]12 ZINC000072114025 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)/C=C/c4ccccc4)CC[C@@]3(C)[C@H]12 ZINC000072114034 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC(=O)O)[C@H](C(C)(C)C(=O)O)CC[C@]43C)[C@@H]12 ZINC000072114039 KK Annotated Mild O=C(CCNCCSSCCNCCC(=O)c1ccc(I)s1)c1ccc(I)s1 ZINC000072114041 KK Annotated Reactive CC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(C)=N)cc3OC3CCCC3)o2)c(OC2CCCC2)c1 ZINC000072114202 KK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(/N=C(\N)c4cnc[nH]4)cc3OC3CCCC3)o2)c(OC2CCCC2)c1)c1cnc[nH]1 ZINC000072114204 KK Annotated Mild CC(C)Oc1cc(NC(=N)c2cccnn2)ccc1-c1ccc(-c2ccc(NC(=N)c3cccnn3)cc2OC(C)C)o1 ZINC000072114254 KK Annotated Anodyne CCOC(=O)C1=C(C)N(c2ccccc2OC)C(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072114306 KK Annotated Anodyne CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)CCOC(=O)c1cccc(N(C)C)c1 ZINC000072114323 KK Annotated Anodyne CCCC1=C(O[C@@]2(CCC)C(=O)C3=C(CCCC3)c3nc4ccccc4nc32)C(=O)C2=C(CCCC2)C1=O ZINC000072114387 KK Annotated Mild CCCC1=C(O[C@]2(CCC)C(=O)C3=C(CCCC3)c3nc4ccccc4nc32)C(=O)C2=C(CCCC2)C1=O ZINC000072114388 KK Annotated Mild CCC1=N[C@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000072114398 KK Annotated Anodyne CCC1=N[C@@H](c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000072114399 KK Annotated Anodyne CCC1=N[C@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000072114400 KK Annotated Anodyne CCC1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000072114401 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCN(C)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072114413 KK Annotated Anodyne C/C(=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc2cc(Br)ccc2oc1=O ZINC000072114426 KK Annotated Mild CC(=O)C1=C(C)N(c2ccccc2Cl)C(C)=C(C(C)=O)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072114440 KK Annotated Mild O=C(NN1C(=O)CS[C@@H]1c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000072114459 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072114499 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072114500 KK Annotated Anodyne COc1ccc(Br)cc1CN1CCC(=O)[C@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000072114593 KK Annotated Anodyne COc1ccc(Br)cc1CN1CCC(=O)[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1 ZINC000072114594 KK Annotated Anodyne COc1cc(OC)c2c(c1OC)O[C@H]1c3c(OC)cc(OC)c(OC)c3O[C@H](c3ccccc3)[C@H]1[C@@H]2/C=C/c1ccccc1 ZINC000072114605 KK Annotated Anodyne COc1cc(OC)c2c(c1OC)O[C@H]1c3c(OC)cc(OC)c(OC)c3O[C@H](c3ccc(C)cc3)[C@H]1[C@@H]2/C=C/c1ccc(C)cc1 ZINC000072114628 KK Annotated Anodyne Brc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nc3ccccc3s2)cc1 ZINC000072114644 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072114662 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072114663 KK Annotated Anodyne CCN(CC)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](n3nnc4ccccc43)[C@@H]2OC(C)=O)C1 ZINC000072114729 KK Annotated Anodyne COc1cc(OC)c2c(c1OC)O[C@H]1c3c(OC)cc(OC)c(OC)c3O[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H]2/C=C/c1ccc(Cl)cc1 ZINC000072114847 KK Annotated Anodyne COc1ccc(/C=C/[C@@H]2c3c(OC)cc(OC)c(OC)c3O[C@H]3c4c(OC)cc(OC)c(OC)c4O[C@H](c4ccc(OC)cc4)[C@@H]23)cc1 ZINC000072114861 KK Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072114885 KK Annotated Anodyne Brc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Sc2nnnn2-c2ccccc2)cc1 ZINC000072114891 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(C)(C)O3 ZINC000072115264 KK Annotated Anodyne COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 ZINC000072115271 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 ZINC000072115272 KK Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 ZINC000072115273 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)c2cncc(C(=O)NCCC[C@@H](C)Nc3cc(OC)cc4cccnc34)c2)c2ncccc2c1 ZINC000072115288 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)c2cncc(C(=O)NCCC[C@@H](C)Nc3cc(OC)cc4cccnc34)c2)c2ncccc2c1 ZINC000072115289 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2cncc(C(=O)NCCC[C@H](C)Nc3cc(OC)cc4cccnc34)c2)c2ncccc2c1 ZINC000072115290 KK Annotated Anodyne COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 ZINC000072115309 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 ZINC000072115310 KK Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 ZINC000072115311 KK Annotated Reactive O=C(CCNCCSSCCNCCC(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000072115312 KK Annotated Reactive COc1cc(N[C@@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115322 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115323 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)CC[C@H](N)C(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115324 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)[C@@H](N)CCC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115325 KK Annotated Anodyne CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072115331 KK Annotated Anodyne CN(c1nc2c(c(Nc3ccc(C(F)(F)F)cc3)n1)CCN(c1ncccc1C(F)(F)F)CC2)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072115333 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNCC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115340 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNCC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115341 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNCC(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115342 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)CNCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000072115343 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072115363 KK Annotated Anodyne N#Cc1c(-c2nnc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c3nn(-c4ccc(Cl)cc4)cc23)nn(-c2ccccc2)c1-c1ccccc1 ZINC000072115371 KK Annotated Mild CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)c3ccc(Cl)cc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc(Cl)cc4)CC[C@@]3(C)[C@H]12 ZINC000072115378 KK Annotated Anodyne COc1ccc(C(=O)O[C@@H](C=C(C)C)C[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4[C@@H](OC)C=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]23C)cc1 ZINC000072115379 KK Annotated Anodyne COc1cc([C@H]2Oc3c(O)cc(/C=C/c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000072116295 KK Annotated Anodyne CC(=O)C1=C(C)N(c2ccccc2C)C(C)=C(C(C)=O)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072116307 KK Annotated Mild CCOC(=O)C1=C(C)N(c2ccccc2Cl)C(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072116364 KK Annotated Anodyne CC[C@@H](c1nc2ccsc2c(=O)n1Cc1ccc(Cl)cc1)N(CCCN)C(=O)c1ccc(C)cc1 ZINC000072116370 KK Annotated Anodyne CC[C@H](c1nc2ccsc2c(=O)n1Cc1ccc(Cl)cc1)N(CCCN)C(=O)c1ccc(C)cc1 ZINC000072116371 KK Annotated Anodyne CC(=O)C1=C(C)N(c2cccc(C)c2)C(C)=C(C(C)=O)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072116375 KK Annotated Mild CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000072116442 KK Annotated Anodyne CCOC(=O)C[C@@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000072116443 KK Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)Oc3ccc(OC(F)(F)F)cc3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072116496 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCN(C(=O)CCc3cc(-c4ccc(F)cc4)n(-c4ccc(Cl)nn4)n3)CC2)cc1 ZINC000072116497 KK Annotated Anodyne COc1ccccc1N1C(C)=C(C(C)=O)C(c2cn(-c3ccccc3)nc2-c2ccccc2)C(C(C)=O)=C1C ZINC000072116528 KK Annotated Mild c1ccc(-c2ccc(-c3nc4ccccc4c(-c4ccccc4)c3Sc3nc4ccccc4s3)cc2)cc1 ZINC000072116570 KK Annotated Anodyne CC(=O)C1=C(C)N(c2cccc(Cl)c2)C(C)=C(C(C)=O)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072116605 KK Annotated Mild CCOC(=O)C1=C(C)N(c2ccccc2C)C(C)=C(C(=O)OCC)C1c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000072116636 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(C[C@H](NC(=O)c2ccccc2Oc2ccccc2)C(=O)O)nn1 ZINC000072116648 KK Annotated Anodyne CCCC1=C(O[C@@]2(CCC)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072116652 KK Annotated Mild CCCC1=C(O[C@]2(CCC)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072116653 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1C(F)(F)F ZINC000072116741 KK Annotated Mild CCCCCCCCN(CCCCCCCC)Cc1cc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)ccc1O ZINC000072116766 KK Annotated Mild O=C(CCc1cc(-c2ccc(F)cc2)n(-c2ccc(Cl)nn2)n1)Oc1ccc(-c2ccsc2)cc1 ZINC000072116771 KK Annotated Anodyne O=S(=O)(CC1=NCCS1)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000072116786 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC)c3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116831 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116832 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cc(OC)cc(OC)c3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116842 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cc(OC)cc(OC)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116843 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC(F)(F)F)c3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116844 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(OC(F)(F)F)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072116845 KK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(c4ccccc4F)CC3)n2)cc1C(F)(F)F ZINC000072116847 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1C(F)(F)F ZINC000072116848 KK Annotated Mild CC(C)COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000072116902 KK Annotated Reactive N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000072116935 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)n2)cc1C(F)(F)F ZINC000072116936 KK Annotated Mild CC(C)CC1=C(O[C@@]2(CC(C)C)C(=O)C3=C(CCCC3)c3nc4ccccc4nc32)C(=O)C2=C(CCCC2)C1=O ZINC000072116942 KK Annotated Mild CC(C)CC1=C(O[C@]2(CC(C)C)C(=O)C3=C(CCCC3)c3nc4ccccc4nc32)C(=O)C2=C(CCCC2)C1=O ZINC000072116943 KK Annotated Mild CC(C)CC1=C(O[C@@]2(CC(C)C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072117028 KK Annotated Mild CC(C)CC1=C(O[C@]2(CC(C)C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072117029 KK Annotated Mild CC(C)Oc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000072117085 KK Annotated Reactive COc1ccc(-c2cc(-c3cccs3)nc3sc(C(=O)Nn4c(C)cc(C)c(C#N)c4=O)c(N)c23)cc1 ZINC000072117109 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1C(F)(F)F ZINC000072118018 KK Annotated Mild N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1C(F)(F)F ZINC000072118113 KK Annotated Mild CC(C)NC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(NC(=O)CCN)cc2)n1 ZINC000072118167 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cn(C[C@H](NC(=O)c2ccccc2-c2ccccc2)C(=O)O)nn1 ZINC000072118176 KK Annotated Anodyne COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](Cn2cc(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)nn2)C(=O)O)c1 ZINC000072118177 KK Annotated Bother C[C@H]1C[C@@H](C)CN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ccnc4ccccc34)n2)C1 ZINC000072118217 KK Annotated Mild C[C@H]1C[C@H](C)CN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ccnc4ccccc34)n2)C1 ZINC000072118218 KK Annotated Mild C[C@@H]1C[C@@H](C)CN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ccnc4ccccc34)n2)C1 ZINC000072118219 KK Annotated Mild COc1c(Br)c2c3c(c1OC)-c1c(Br)c4c(c(Br)c1C[C@@H]3N(C)CC2)OCO4 ZINC000072118338 KK Annotated Anodyne COc1c(Br)c2c3c(c1OC)-c1c(Br)c4c(c(Br)c1C[C@H]3N(C)CC2)OCO4 ZINC000072118339 KK Annotated Anodyne CC(C)CCC1=C(O[C@@]2(CCC(C)C)C(=O)C3=C(CCCC3)c3nc4ccccc4nc32)C(=O)C2=C(CCCC2)C1=O ZINC000072118359 KK Annotated Mild CC(C)CCC1=C(O[C@]2(CCC(C)C)C(=O)C3=C(CCCC3)c3nc4ccccc4nc32)C(=O)C2=C(CCCC2)C1=O ZINC000072118360 KK Annotated Mild CC(C)CCC1=C(O[C@@]2(CCC(C)C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072118453 KK Annotated Mild CC(C)CCC1=C(O[C@]2(CCC(C)C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072118454 KK Annotated Mild CCc1cc(=O)c2ccc(OCc3cccc(C)c3)c(COC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118550 KK Annotated Anodyne CCc1cc(=O)c2ccc(OCc3cccc(C)c3)c(COC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)c2o1 ZINC000072118551 KK Annotated Anodyne c1ccc(-c2ccc(-c3nc4ccccc4c(-c4ccccc4)c3Sc3nnnn3-c3ccccc3)cc2)cc1 ZINC000072118582 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O)cc1 ZINC000072118599 KK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(c4ccccn4)CC3)n2)cc1C(F)(F)F ZINC000072118617 KK Annotated Mild CC(C)N1CCN(c2nc(Nc3ccc(C#N)c(C(F)(F)F)c3)nc(Oc3ccnc4ccccc34)n2)CC1 ZINC000072118687 KK Annotated Mild c1ccc(-c2c(Sc3nnnn3-c3ccccc3)c(-c3ccc4ccccc4c3)nc3ccccc23)cc1 ZINC000072118746 KK Annotated Anodyne N#Cc1ccc(Nc2nc(Oc3ccnc4ccccc34)nc(N3CCN(c4ccccc4)CC3)n2)cc1C(F)(F)F ZINC000072118763 KK Annotated Mild Clc1ccc(Cn2cc(/C=N/Nc3nc(-c4ccc(Cl)cc4Cl)cs3)c3ccccc32)c(Cl)c1 ZINC000072118764 KK Annotated Mild CC(C)=CCC1=C(O[C@@]2(CC=C(C)C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072118859 KK Annotated Mild CC(C)=CCC1=C(O[C@]2(CC=C(C)C)C(=O)c3ccccc3-c3nc4ccccc4nc32)C(=O)c2ccccc2C1=O ZINC000072118860 KK Annotated Mild CN(CCCCCl)[P@](=O)(C[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl)OCc1ccc([N+](=O)[O-])cc1 ZINC000072118873 KK Annotated Reactive CN(CCCCCl)[P@](=O)(C[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl)OCc1ccc([N+](=O)[O-])cc1 ZINC000072118874 KK Annotated Unstable COc1ccc(CN2CCN(c3nc(Nc4ccc(C#N)c(C(F)(F)F)c4)nc(Oc4ccnc5ccccc45)n3)CC2)c(OC)c1OC ZINC000072118875 KK Annotated Mild COc1ccc(-c2csc(N/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)n2)cc1OC ZINC000072118954 KK Annotated Mild CN(CCCCCl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl ZINC000072118962 KK Annotated Reactive CN(CCCCCl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl ZINC000072118963 KK Annotated Unstable Cc1ccc(S(=O)(=O)N2[C@H](c3ccccc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4)[C@H](c4ccccc4)C[C@@H]32)cc1 ZINC000072118973 KK Annotated Anodyne O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc(-n4nc(C(F)(F)F)cc4-c4ccc5c(ccc6ccccc65)c4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000072118988 KK Annotated Bother Cc1ccc(-n2cc(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c(C(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)n2)cc1 ZINC000072119042 KK Annotated Mild N#Cc1c(-c2nnc(-c3nn(-c4ccccc4)c(-c4ccccc4)c3C#N)c3nn(-c4ccccc4)cc23)nn(-c2ccccc2)c1-c1ccccc1 ZINC000072119043 KK Annotated Mild S=c1[nH]nc(-c2cccnc2)n1/N=C\c1ccccc1OCCCCOc1ccccc1/C=N\n1c(S)nnc1-c1cccnc1 ZINC000072119064 KK Annotated Mild S=c1[nH]nc(-c2cccnc2)n1/N=C\c1ccccc1OCCOCCOc1ccccc1/C=N\n1c(S)nnc1-c1cccnc1 ZINC000072119065 KK Annotated Mild S=c1[nH]nc(-c2cccnc2)n1/N=C\c1ccccc1OCCOCCOCCOc1ccccc1/C=N\n1c(S)nnc1-c1cccnc1 ZINC000072119066 KK Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)c2ccncc2C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000072119079 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)c2ccncc2C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000072119080 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2ccncc2C(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000072119081 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2cnccc2C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 ZINC000072119082 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072119704 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072119705 KK Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072119730 KK Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072119731 KK Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072119732 KK Annotated Anodyne O=S(=O)(CC1=NCCS1)[C@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072119733 KK Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072119781 KK Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072119782 KK Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072119783 KK Annotated Anodyne O=S(=O)(CC1=NCCO1)[C@H]1C(c2ccc(Cl)cc2)=NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072119784 KK Annotated Anodyne COc1cc(/C(=C2\O[C@@H]([C@H]3COC(C)(C)O3)[C@H]3OC(C)(C)O[C@@H]23)c2ccc3ccccc3c2)cc(OC)c1OC ZINC000072119815 KK Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nn2-c2ccc3ccccc3n2)cc1 ZINC000072119854 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCN(C(=O)CCc3cc(-c4ccc(F)cc4)n(-c4ccc5ccccc5n4)n3)CC2)cc1 ZINC000072119855 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072119930 KK Annotated Anodyne O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)Oc1ccc(-n2cccc2)cc1 ZINC000072119956 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2cccc(Cl)c2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000072119978 KK Annotated Anodyne O=S(=O)(CC1=NCCO1)c1c(-c2ccc(Cl)cc2)nn(-c2ccccc2)c1-c1ccc(Cl)cc1 ZINC000072120021 KK Annotated Anodyne CCNC(=O)CCc1cc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)n(-c2ccc(N3CCNCC3)cc2)n1 ZINC000072120051 KK Annotated Anodyne N#CC1=C(/N=C/c2ccccc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc(Cl)cc1 ZINC000072120079 KK Annotated Reactive N#CC1=C(/N=C/c2ccccc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc(Cl)cc1 ZINC000072120080 KK Annotated Reactive NC(=O)c1cccc(C(=O)N2CCN(c3ccc(-n4nc(C(F)(F)F)cc4-c4ccc5c(ccc6ccccc65)c4)cc3)CC2)c1 ZINC000072120110 KK Annotated Bother N#CC1=C(/N=C/c2ccc(Cl)cc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc(Cl)cc1 ZINC000072120129 KK Annotated Reactive N#CC1=C(/N=C/c2ccc(Cl)cc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc(Cl)cc1 ZINC000072120130 KK Annotated Reactive CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072120147 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)cc3)c2S(=O)(=O)CC2=NCCS2)cc1 ZINC000072120323 KK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)[C@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072120342 KK Annotated Anodyne COc1ccc(C2(c3ccc(OC)cc3)[C@@H](c3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000072120343 KK Annotated Anodyne Cc1ccc(-c2cc(CCC(=O)N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)nn2-c2ccc(Cl)nn2)cc1 ZINC000072120471 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCN(C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)n(-c4ccc(Cl)nn4)n3)CC2)cc1 ZINC000072120472 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000072120552 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000072120605 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000072120606 KK Annotated Anodyne Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072120607 KK Annotated Anodyne COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@H](c3ccccc3)N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)cc1 ZINC000072121200 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072121201 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000072121203 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccc(OC(F)(F)F)cc4)CC3)cc1C)C2 ZINC000072121208 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3ccc(N4CCOCC4)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000072121228 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3ccc(N4CCOCC4)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000072121229 KK Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072121309 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072121310 KK Annotated Anodyne O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)Oc1ccc(C2CCCC2)cc1 ZINC000072121315 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072121316 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000072121317 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000072121325 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000072121326 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000072121402 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000072121403 KK Annotated Anodyne COc1ccc(-n2nc(CCC(=O)N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(F)cc2)nn1 ZINC000072121434 KK Annotated Anodyne COc1ccc(-n2nc(CCC(=O)N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(C(F)(F)F)cc2)nn1 ZINC000072121435 KK Annotated Anodyne CC(C)(C)c1ccc(CN2CCN(C(=O)CCc3cc(-c4ccc(C(F)(F)F)cc4)n(-c4ccc5ccccc5n4)n3)CC2)cc1 ZINC000072121464 KK Annotated Anodyne COc1ccc(-n2nc(CCC(=O)N3CCN(Cc4ccc(C(C)(C)C)cc4)CC3)cc2-c2ccc(C)cc2)nn1 ZINC000072121465 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000072121491 KK Annotated Anodyne Cc1ccc(-c2ccc(CN3[C@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072122013 KK Annotated Anodyne Cc1ccc(-c2ccc(CN3[C@@H](C(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072122014 KK Annotated Anodyne COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6cccc(C)c6)cc5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000072122044 KK Annotated Anodyne N/C(=N\O)c1ccc(Nc2ccc(S(=O)(=O)C3=C(c4ccc(/C(N)=N/O)cc4)OC(c4ccccc4)(c4ccccc4)C3)cc2)cc1 ZINC000072122061 KK Annotated Mild N/C(=N\O)c1ccc(Nc2ccc(C3=C(S(=O)(=O)c4ccc(/C(N)=N/O)cc4)CC(c4ccccc4)(c4ccccc4)O3)cc2)cc1 ZINC000072122094 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4cccc(Cl)c4Cl)CC3)cc1C)C2 ZINC000072122098 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4c(C)cccc4C)CC3)cc1C)C2 ZINC000072122109 KK Annotated Mild CCCCCC(=O)N1CCN([C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)c2ccc(F)cc2)CC1 ZINC000072122112 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)OCc1ccccc1 ZINC000072122117 KK Annotated Mild O=C(N[C@@H](CSCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1)OCc1ccccc1 ZINC000072122118 KK Annotated Mild Cc1c2[nH]c(c1CCC(=O)O)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(CCCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCCC(=O)O)C2 ZINC000072122119 KK Annotated Anodyne O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(N2CCN(Cc3cc(C(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3O)CC2)cc1 ZINC000072122132 KK Annotated Mild COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122143 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122144 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122145 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122146 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122147 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122148 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122149 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122150 KK Annotated Anodyne COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OCCCCOc1c(OC)cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1OC ZINC000072122151 KK Annotated Anodyne COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1OCCCCOc1c(OC)cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1OC ZINC000072122152 KK Annotated Anodyne C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3ccc(C(F)(F)F)c(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000072122159 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3ccc(C(F)(F)F)c(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000072122160 KK Annotated Mild COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122163 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1cc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122164 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122165 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1cc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)ccc1OC ZINC000072122166 KK Annotated Anodyne COC(=O)N(CCNCc1cccc(CNCCN(C(=O)OC)c2ccc3cc4ccc(N)cc4nc3c2)n1)c1ccc2nc3cc(N)ccc3cc2c1 ZINC000072122168 KK Annotated Bother CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000072122174 KK Annotated Mild CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccco3)C2=O)cc1 ZINC000072122175 KK Annotated Mild CCCCCC(=O)N1CCN([C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072122200 KK Annotated Bother O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000072122623 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4cc(Cc5ccccc5O)ccc4O)ccc3O)c(O)c(Cc3ccccc3O)c(O)c21 ZINC000072122667 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3c(C(=O)O)csc3c2)cc1 ZINC000072122925 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cc4cc(Cc5ccccc5O)ccc4O)ccc3O)c(O)c21 ZINC000072122983 KK Annotated Anodyne Brc1ccc2nc(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)c(NC3CCCCC3)n2c1 ZINC000072123165 KK Annotated Anodyne CC(C)Cc1cc(C(=O)NCC2(C#N)CCN(CC3=Cc4ccccc4OC3(C)C)CC2)nn1-c1ccccc1 ZINC000072123342 KK Annotated Mild Cc1cccc(C)c1-n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072123488 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072123489 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C(C)C)[C@]2(CO)CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@@H]12)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000072123495 KK Annotated Anodyne in-vitro CC(C)Cc1cc(C(=O)NCC2(C#N)CCN(Cc3ccccc3C(F)(F)F)CC2)nn1-c1ccccc1 ZINC000072123501 KK Annotated Mild CCOC(C)(C)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@H](OC)O1 ZINC000072123617 KK Annotated Anodyne CCOC(C)(C)[C@@H](O)[C@H]1C[C@@H]([C@H]2CC=C3[C@@]2(C)CC[C@@H]2[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4C[C@@H](O)[C@@]32C)[C@@H](OC)O1 ZINC000072123618 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1c(OC)cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123620 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1c(OC)cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123621 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1c(OC)cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123622 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1c(OC)cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123623 KK Annotated Anodyne Oc1ccc(Cl)cc1Cc1cc(Cl)cc(Cc2cc(Cl)cc(Cc3cc(Cl)cc(Cc4cc(Cl)ccc4O)c3O)c2O)c1O ZINC000072123644 KK Annotated Anodyne C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccc(F)c(F)c3F)C2=O)cc1 ZINC000072123645 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3cccc(F)c3)N(Cc3ccc(F)c(F)c3F)C2=O)cc1 ZINC000072123646 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@H]2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000072123649 KK Annotated Mild C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc([C@@H]2S/C(=N\c3ccc(C(F)(F)F)cc3)N(Cc3ccco3)C2=O)cc1 ZINC000072123650 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)c1ccc(/N=C2/C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000072123651 KK Annotated Mild CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccccc4Cl)CC3)cc1C)C2 ZINC000072123653 KK Annotated Mild COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1OCCCCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OC ZINC000072123661 KK Annotated Anodyne COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1OCCCCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC ZINC000072123662 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N1 ZINC000072123682 KK Annotated Anodyne NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(Cl)cc3Cl)c3c(O)nc(-c4ccc(Br)cc4)nc32)cc1 ZINC000072123695 KK Annotated Mild NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(Cl)cc3Cl)c3c(O)nc(-c4ccc(Br)cc4)nc32)cc1 ZINC000072123696 KK Annotated Mild Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123704 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072123705 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1c(OC)cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123707 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1c(OC)cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123708 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1c(OC)cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123709 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCOc1c(OC)cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123710 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1c(OC)cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123711 KK Annotated Anodyne COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1c(OC)cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123712 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1c(OC)cc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123713 KK Annotated Anodyne COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCCCCOc1c(OC)cc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000072123714 KK Annotated Anodyne COc1cc(C)cc2c1C(=O)c1c(O)cc(O)c(Cl)c1[C@H]2[C@H]1c2cc(CO)cc(OC)c2C(=O)c2c(O)cc(O)c(Cl)c21 ZINC000072123724 KK Annotated Anodyne CN(C)c1ccc(/C=C/C=N/C2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000072123739 KK Annotated Reactive CN(C)c1ccc(/C=C/C=N/C2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000072123740 KK Annotated Reactive N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000072123741 KK Annotated Reactive N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000072123742 KK Annotated Reactive CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2cc(Cl)ccc21)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]3OCc1ccccc1 ZINC000072123744 KK Annotated Anodyne CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccccc4Br)CC3)cc1C)C2 ZINC000072123745 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)c1cccc(/N=C2/C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)c1)NC(C)=O ZINC000072123747 KK Annotated Mild CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2cc([N+](=O)[O-])ccc21)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]3OCc1ccccc1 ZINC000072123757 KK Annotated Bother CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(N/C(O)=N/S(=O)(=O)c4ccccc4C(F)(F)F)CC3)cc1C)C2 ZINC000072123760 KK Annotated Mild COc1ccc2c(c1)C(=O)C(O)=C(C1=C(C3=C(O)C(=O)c4cc(OC)ccc4C3=O)C(=O)c3c(ccc4c3CCC(C)(C)O4)C1=O)C2=O ZINC000072123761 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)nc1 ZINC000072123762 KK Annotated Mild CC(C)Oc1ccc(C(F)(F)F)cc1-c1ccc(N2CCC(CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)CC2)nc1 ZINC000072123763 KK Annotated Mild O=C1Nc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@]3(C[C@H]12)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]3OCc1ccccc1 ZINC000072123774 KK Annotated Bother CC1(C)CCc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5CCC(C)(C)O6)C4=O)C(=O)c4ccccc4C2=O)C3=O)O1 ZINC000072123776 KK Annotated Mild O=C1Nc2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@]3(C[C@@H]12)O[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000072123785 KK Annotated Bother CCC(=O)N(CCCCCCCCCCCCNC(=N/C(=O)OC(C)(C)C)/N=C(\O)OC(C)(C)C)C1CCN(CCc2ccccc2)CC1 ZINC000072123786 KK Annotated Mild CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000072123791 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2cc(Br)ccc2S1(=O)=O ZINC000072124322 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2Cc3[nH]ncc3[C@H]1C[C@H](c1ccc(-c3cncs3)cc1)C2 ZINC000072124400 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H](C)S3 ZINC000072124501 KK Annotated Anodyne CCc1cc(=O)c2ccc3c(c2o1)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](C)S3 ZINC000072124503 KK Annotated Anodyne COCC/C(SC(=O)O[C@H](C)Cl)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)O[C@@H](C)Cl ZINC000072124695 KK Annotated Reactive COCC/C(SC(=O)O[C@@H](C)Cl)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)O[C@@H](C)Cl ZINC000072124696 KK Annotated Reactive COCC/C(SC(=O)[C@H]1CCCN1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)[C@H]1CCCN1 ZINC000072125092 KK Annotated Anodyne COCC/C(SC(=O)[C@@H]1CCCN1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)[C@@H]1CCCN1 ZINC000072125093 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1 ZINC000072125119 KK Annotated Mild in-vitro Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2c(Cl)cccc12 ZINC000072125162 KK Annotated Anodyne CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(-c2ccc3[nH]c(C(=O)O)cc3c2)cc1 ZINC000072125913 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cn2)c(=O)c2c(F)ccc(F)c12 ZINC000072125998 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)SC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000072126249 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)SC(C)(C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000072126250 KK Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1 ZINC000072126253 KK Annotated Anodyne Clc1ccc(Cn2cc(-c3nsc(-c4cn(Cc5ccc(Cl)cc5)c5ccccc45)n3)c3ccccc32)cc1 ZINC000072126260 KK Annotated Anodyne CC[C@@H](C)[C@H](/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@H](C(=O)O)[C@H](C)CC)c4c3O)c(O)c12)C(=O)O ZINC000072126265 KK Annotated Mild CCc1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)S3 ZINC000072126285 KK Annotated Anodyne C=CC(=C)[C@@H](C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)/C=C\C=C\CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](O)C[C@H]1C)OO ZINC000072126769 KK Annotated Reactive CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072126774 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072126775 KK Annotated Anodyne CCCCCC(=O)N1CCN([C@@H](CCSC)C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)CC1 ZINC000072126786 KK Annotated Anodyne CON(CCN1C(=O)c2ccccc2C1=O)C(=S)Nc1ccc(Nc2ccc(NC(=S)N(CCN3C(=O)c4ccccc4C3=O)OC)cc2)cc1 ZINC000072126788 KK Annotated Anodyne C[C@@H]1CCCCCCCc2cc(OC(=O)c3ccc(Br)cc3)cc(OC(=O)c3ccc(Br)cc3)c2C(=O)O1 ZINC000072126807 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000072126820 KK Annotated Anodyne CN1C(NC[C@H]2CN(c3ccc(N4CCN(C(=O)/C=C/c5ccc(-c6ccc(Cl)cc6)o5)CC4)c(F)c3)C(=O)O2)=NS(=O)(=O)c2ccccc21 ZINC000072126826 KK Annotated Anodyne CCN1C(NC[C@H]2CN(c3ccc(N4CCN(C(=O)/C=C/c5ccc(-c6ccc(Cl)cc6)o5)CC4)c(F)c3)C(=O)O2)=NS(=O)(=O)c2ccccc21 ZINC000072126827 KK Annotated Anodyne N#Cc1cccnc1N1CCN(C(=O)c2cccc3c2C(=O)c2ccc(-c4ccc(Cl)c(C(F)(F)F)c4)cc2S3(=O)=O)CC1 ZINC000072126831 KK Annotated Mild CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCc2ccccc2)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N1CC3 ZINC000072126833 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072126835 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072126836 KK Annotated Anodyne CN1C(=O)[C@H]2C[C@@]3(CN2C(=O)c2cc(Br)ccc21)O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H]3OCc1ccccc1 ZINC000072126842 KK Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2cc([N+](=O)[O-])ccc21)O[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000072126843 KK Annotated Bother CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2cc(Cl)ccc21)O[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000072126844 KK Annotated Anodyne Cn1cc(-c2nsc(-c3cn(C)c4ccc(Br)cc34)n2)c2cc(Br)ccc21 ZINC000072126974 KK Annotated Anodyne Cc1ccc(NC(=O)c2ncn(CCCN(CCCn3cnc(C(=O)Nc4ccc(C)c(C)c4)n3)Cc3ccc4[nH]ccc4c3)n2)cc1C ZINC000072127008 KK Annotated Anodyne CN1C(=O)[C@@H]2C[C@]3(CN2C(=O)c2cc(Br)ccc21)O[C@@H](COCc1ccccc1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1 ZINC000072127013 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127030 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072127031 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072127042 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)cc1)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000072127045 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127047 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127048 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127063 KK Annotated Anodyne O=C(NCc1ccccc1Br)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000072127076 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C(C)C)[C@]2(CO)CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@@H]12)[C@@]1(C)C=CC(=O)C(C)(C)[C@@H]1C[C@@H]4O ZINC000072127524 KK Annotated Anodyne in-vitro C[C@@H](NCCCCCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127525 KK Annotated Anodyne C[C@@H](NCCCCCCCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127559 KK Annotated Anodyne C[C@@H](NCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127582 KK Annotated Anodyne C[C@@H](NCCCCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127585 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000072127641 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(-c2ccccc2)cc1 ZINC000072127642 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000072127643 KK Annotated Anodyne Cc1ccc(Cn2c([C@@H]3CCCN3c3nc(-c4cc(Cl)c(N)c(Cl)c4)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000072127646 KK Annotated Anodyne Cc1ccc(Cn2c([C@H]3CCCN3c3nc(-c4cc(Cl)c(N)c(Cl)c4)cs3)nc3cc(C(=O)NCCCO)ccc32)cc1 ZINC000072127647 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCC2CCCC2)[C@@H](C(=O)N2CCOCC2)C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N1CC3 ZINC000072127648 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072127649 KK Annotated Anodyne O=C(N[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072127651 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(C)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N1CC3 ZINC000072127653 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000072127654 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000072127658 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072127659 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072127660 KK Annotated Anodyne C/C(CCC(=O)OC[C@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000072127662 KK Annotated Mild CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127670 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072127671 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCCN1CCOCC1 ZINC000072127672 KK Annotated Anodyne O=C1c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc2S(=O)(=O)c2cccc(C(=O)N3CCN(c4ccc(Cl)cn4)CC3)c21 ZINC000072127676 KK Annotated Anodyne CC(C)[C@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000072127680 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127681 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127682 KK Annotated Anodyne COC(=O)CCC(=O)O[C@@]1(C)C(=O)C2=CN(CCc3c[nH]c4ccccc34)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000072127683 KK Annotated Mild COC(=O)CCC(=O)O[C@]1(C)C(=O)C2=CN(CCc3c[nH]c4ccccc34)C(c3ccc(OC)cc3)=CC2=C(Br)C1=O ZINC000072127684 KK Annotated Mild C[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000072127691 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000072127694 KK Annotated Anodyne COCCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000072127695 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCc1ccco1 ZINC000072127698 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12 ZINC000072127706 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000072127714 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127718 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072127719 KK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCC(Cc4ccccc4)CC3)cc1S2(=O)=O ZINC000072127721 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072127725 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072127726 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072127730 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127732 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072127733 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072127734 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072127735 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072127736 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072127737 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072127738 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127740 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127741 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127742 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072127743 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC ZINC000072127748 KK Annotated Anodyne C[C@@H](NCCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127758 KK Annotated Anodyne C=C(CNCCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCc6ccc7c(c6)OCO7)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000072127774 KK Annotated Mild C[C@@H](NCCCCCCCCN)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](NCCCCCCCCN)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072127786 KK Annotated Anodyne CCc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12 ZINC000072127847 KK Annotated Anodyne COc1cc(/C=C/CN2CCC(C(=O)N[C@@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)ccc1OC(C)=O ZINC000072127859 KK Annotated Anodyne COc1cc(/C=C/CN2CCC(C(=O)N[C@H](c3ccc(F)cc3)c3ccc4ccccc4n3)CC2)ccc1OC(C)=O ZINC000072127860 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)N[C@@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12 ZINC000072127896 KK Annotated Anodyne C=C(CNCCO)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](NCCc6ccc(O)c(O)c6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000072127909 KK Annotated Mild O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000072127988 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCOCC3)[C@@]3(CCC4CCCC4)c4[nH]c5cc(-c6ccco6)ccc5c4CCN3C2=O)cc1OC ZINC000072127992 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127995 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127996 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1 ZINC000072128001 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128002 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072128003 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072128007 KK Annotated Anodyne CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072128008 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCCCC3)[C@@]3(CCc4ccccc4)c4[nH]c5cc(-c6ccco6)ccc5c4CCN3C2=O)cc1OC ZINC000072128009 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072128020 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000072128032 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072128033 KK Annotated Anodyne Cc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 ZINC000072128517 KK Annotated Anodyne CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(O[C@@H](c5ccc(F)cc5F)[C@H]5CO[C@H](Cn6cncn6)C5)cc4)CC3)cc2)c1=O ZINC000072128561 KK Annotated Clean CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C)C(C)C ZINC000072128614 KK Annotated Anodyne N#Cc1cccnc1N1CCN(C(=O)c2cccc3c2C(=O)c2ccc(-c4ccc(F)cc4OCc4ccccc4)cc2S3(=O)=O)CC1 ZINC000072128616 KK Annotated Mild O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072128618 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072128619 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072128620 KK Annotated Anodyne C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCOCC1 ZINC000072128623 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)C1 ZINC000072128628 KK Annotated Anodyne CCC[C@@H](CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N ZINC000072128632 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4cc(-c5ccco5)ccc34)[C@]12C)C(C)C ZINC000072128633 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCc1ccccn1 ZINC000072128634 KK Annotated Anodyne CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128635 KK Annotated Anodyne CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128636 KK Annotated Anodyne CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128637 KK Annotated Anodyne CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000072128638 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072128639 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)CC1 ZINC000072128643 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(NS(C)(=O)=O)c(F)cc2Cl)CC1 ZINC000072128644 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCN(CCOc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1 ZINC000072128645 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072128647 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N3CCCCC3)[C@@]3(CCc4ccccc4)c4[nH]c5ccc(Cl)cc5c4CCN3C2=O)cc1OC ZINC000072128648 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(C(=O)c2cc(I)ccc2F)CC3)c(C)c1 ZINC000072128649 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@H](c2ccccc2)OC4)CN(C(=O)c2cc(I)ccc2F)CC3)c(C)c1 ZINC000072128650 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072128657 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072128658 KK Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O[C@@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000072128664 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCc1ccccn1 ZINC000072128665 KK Annotated Anodyne C=C1[C@@H](c2ccc(O)c(OC)c2)O[C@@H](c2ccc(O)c(OC)c2)[C@@]12CCC1=C(C2)[C@@H](c2ccc(O)c(OC)c2)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000072128678 KK Annotated Mild O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000072128682 KK Annotated Anodyne N/C(=N\O)c1ccc(C2=C(S(=O)(=O)c3ccc(Nc4cccc(/C(N)=N/O)c4)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000072128709 KK Annotated Mild N/C(=N\O)c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4cccc(/C(N)=N/O)c4)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1 ZINC000072128710 KK Annotated Mild Cc1c(Cl)nc(NC(=O)OC(C)(C)C)c(=O)n1[C@@H](C(=O)Nc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000072128722 KK Annotated Mild O=C(NN1C(=O)CS[C@@H]1c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000072128725 KK Annotated Clean CCCC[C@H](C)[C@@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000072128728 KK Annotated Anodyne CCCC[C@H](C)[C@H]1C[C@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)C[C@@H](O)CCC/C(C)=C/C(=O)O1 ZINC000072128730 KK Annotated Anodyne CCCC[C@H](C)[C@@H]1C[C@@H](O)CCC[C@H](O)C[C@@H](O)C[C@@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)CCC[C@H](O)C[C@H](O)CCC/C(C)=C/C(=O)O1 ZINC000072128732 KK Annotated Anodyne CN(CC[C@@H](c1ccc2cc(-c3cccc4ccccc34)ccc2c1)n1nnc(-c2cccc3ccccc23)n1)c1cccc2ccccc12 ZINC000072128735 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072128739 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072128740 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072128741 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000072128742 KK Annotated Anodyne O=C(N[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072128748 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000072128752 KK Annotated Anodyne CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000072128757 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000072128758 KK Annotated Mild CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072128759 KK Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O[C@H](c2ccccc2)CNC1=O)N[C@H](CO)Cc1ccccc1 ZINC000072128764 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072128766 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072128767 KK Annotated Anodyne O=C1c2ccc(-c3ccc(F)cc3OCc3ccccc3)cc2S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncc(Br)cn4)CC3)c21 ZINC000072128778 KK Annotated Anodyne O=C(N[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072128783 KK Annotated Anodyne COc1ccc(-c2ccc3c(c2)S(=O)(=O)c2cccc(C(=O)N4CCN(c5c(Cl)cncc5Cl)CC4)c2C3=O)cc1OC ZINC000072128787 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072128788 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072128789 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCc1ccco1 ZINC000072128791 KK Annotated Anodyne C=CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000072128845 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000072128849 KK Annotated Mild in-vitro CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000072128856 KK Annotated Anodyne CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C/C=C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000072128864 KK Annotated Anodyne CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@H]4CC[C@@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000072128868 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nnc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)o2)cc1 ZINC000072128882 KK Annotated Bother CN1C[C@H](c2ccccc2)C(O)([C@]2(c3ccccc3)CN(C)C[C@@H](c3ccccc3)C2=O)[C@H](c2ccccc2)C1 ZINC000072128888 KK Annotated Anodyne COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)O[C@H]2C[C@@H]3CC(=O)O[C@@H](/C=C/CC(C)C)C[C@@H]4CC[C@H](C)[C@@H](C[C@@H](OC)C[C@H](C2)O3)O4)co1 ZINC000072129317 KK Annotated Anodyne N/C(=N\O)c1ccc(/C=C/c2ccc(S(=O)(=O)C3=C(c4ccc(/C(N)=N/O)cc4)OC(c4ccccc4)(c4ccccc4)C3)cc2)cc1 ZINC000072129327 KK Annotated Mild Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(N)(=O)=O)c(F)cc2Cl)CC1 ZINC000072129808 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC[C@H]1COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129810 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)CC1 ZINC000072129811 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N(CCO)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129812 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129831 KK Annotated Clean in-vitro COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@H]2C[C@@H]2C(=O)O)c1 ZINC000072129842 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)/C=C(/c2ccc(O)c(O)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129847 KK Annotated Clean in-vitro CC[C@@H]1NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O ZINC000072129859 KK Annotated Anodyne in-vitro C=C1[C@@H](c2ccc(O)c(OC)c2)O[C@@H](c2ccc(O)c(OC)c2)[C@@]12CCC1=C(C2)[C@@H](c2ccc(O)c(OC)c2)O[C@H]1c1ccc(O)c(OC)c1 ZINC000072129864 KK Annotated Mild CCCCCCCCCCCC/C=C\CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O ZINC000072129874 KK Annotated Mild CCCCCCCCCCCC/C=C\CCCCCCCCCCCC[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1O ZINC000072129875 KK Annotated Mild C=C1[C@@H](c2ccc(O)c(OC)c2)O[C@@H](c2ccc(O)c(OC)c2)[C@@]12CCC1=C(C2)[C@H](c2ccc(O)c(OC)c2)O[C@@H]1c1ccc(O)c(OC)c1 ZINC000072129878 KK Annotated Mild Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)c(F)cc2Cl)CC1 ZINC000072129882 KK Annotated Anodyne CCCNS(=O)(=O)c1cc(C(=O)N2CCC(CCN3[C@H]4CC[C@@H]3CC(n3c(C)nc5ccccc53)C4)(c3cccc(F)c3)CC2)c(Cl)cc1F ZINC000072129883 KK Annotated Anodyne CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129894 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129897 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129898 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129899 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129903 KK Annotated Anodyne C/C=C(/CC[C@@H](C(=O)S)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000072129912 KK Annotated Anodyne in-vitro COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072129916 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O[C@@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129917 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)O[C@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129918 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129919 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000072129920 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)Oc1cc2c(c(OC(C)=O)c1OC)[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC2=O ZINC000072129925 KK Annotated Mild CO[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6coc(CO)cc6=O)CC[C@@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000072129926 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000072129930 KK Annotated Anodyne in-vitro CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCN6C(=O)c7ccccc7C6=O)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1 ZINC000072129933 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6coc(CO)cc6=O)CC[C@@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000072129939 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000072129940 KK Annotated Mild in-vitro C=C(CC[C@@H](C(=O)S)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]5O)[C@H](OC(C)=O)C[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000072129941 KK Annotated Mild in-vitro N/C(=N\O)c1ccc(C2=C(S(=O)(=O)c3ccc(Nc4ccccc4/C(N)=N/O)cc3)CC(c3ccccc3)(c3ccccc3)O2)cc1 ZINC000072129969 KK Annotated Mild CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000072131640 KK Annotated Anodyne Cc1cc(F)ccc1S(=O)(=O)NCCCCCCn1cc(COc2ccc(-c3cc(C(=O)O)no3)c(C3CCCCC3)c2)nn1 ZINC000072131674 KK Annotated Anodyne C/C(=C\[C@H](C)C[C@H](C)O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc1c(Br)[nH]c2ccccc12)C(=O)N[C@H](CC(=O)O)c1ccc(O)cc1 ZINC000072131690 KK Annotated Anodyne in-vitro COC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)O)c1ccc(O)cc1 ZINC000072131691 KK Annotated Anodyne in-vitro Cc1cc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)nc(N2CCCCC2)n1 ZINC000072131699 KK Annotated Anodyne COC(=O)C1=C(C(=O)OC)[C@@H]2N(CCCCCn3cc(-c4ccc(OC)cc4C)nn3)c3ccccc3[C@@]23CCC(=O)N(Cc2ccccc2)C3=N1 ZINC000072131711 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O)NCCCn1ccnc1 ZINC000072131718 KK Annotated Anodyne N/C(=N\O)c1ccc(S(=O)(=O)C2=C(c3ccc(Nc4ccccc4/C(N)=N/O)cc3)OC(c3ccccc3)(c3ccccc3)C2)cc1 ZINC000072132421 KK Annotated Mild CC(C)Nc1nc(NC(C)C)nc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(Cc5ccc(C(F)(F)F)cc5)c4c3F)CC2)n1 ZINC000072132791 KK Annotated Anodyne CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000072132794 KK Annotated Anodyne CN1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000072132795 KK Annotated Anodyne CC(C)Oc1ccc(F)cc1-c1ccc(N2C[C@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1 ZINC000072132796 KK Annotated Mild CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NC[C@@H]4CN(c5ccc(-c6ccccc6OC(F)(F)F)cn5)C(=O)O4)cc3)oc12 ZINC000072132797 KK Annotated Mild COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)C(=O)O)c1 ZINC000072132806 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC[C@@H](CO[P@](=O)(O)CO[C@H](CO)Cn1ccc(N)nc1=O)OCc1ccccc1 ZINC000072132812 KK Annotated Mild COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc45)[C@H](OC(C)=O)[C@H](C)OC6)c2c1)[C@H](OC(C)=O)[C@H](C)OC3 ZINC000072132813 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC(C)=O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000072132819 KK Annotated Mild COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC(C)(C)O)c1 ZINC000072132820 KK Annotated Anodyne COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H]2O[C@H](CC[C@]2(C)OC(C)=O)[C@](C)(O)C[C@H]1O ZINC000072132838 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCN(C)C)c1 ZINC000072132841 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000072132847 KK Annotated Anodyne CC(C)Oc1ccc(F)cc1-c1ccc(N2C[C@@H](CNC(=O)c3ccc(-c4nc5cc(C#N)cc(C(C)C)c5o4)cc3)OC2=O)nc1 ZINC000072132856 KK Annotated Mild C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(C)=O)[C@H](OC(=O)/C=C\C=C\CCCCC)[C@@]23C(=C[C@H](OC(C)=O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000072132859 KK Annotated Mild C=C(C)[C@@H](CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)OC(C)(C)[C@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000072132862 KK Annotated Mild C=C(C)[C@H](CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)OC(C)(C)[C@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000072132863 KK Annotated Mild C=C(C)[C@@H](CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)OC(C)(C)[C@@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000072132864 KK Annotated Mild C=C(C)[C@H](CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)OC(C)(C)[C@@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000072132865 KK Annotated Mild C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](OC(C)(C)[C@@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000072132866 KK Annotated Anodyne C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](OC(C)(C)[C@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000072132867 KK Annotated Anodyne C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](O)C(C)(C)O[C@H](CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000072132868 KK Annotated Anodyne C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H](OC(C)(C)[C@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)C(C)(C)O ZINC000072132869 KK Annotated Anodyne C=C[C@@H]1CC[C@@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]24C)C[C@]13CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000072132870 KK Annotated Mild CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000072133441 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000072133442 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C)C(C)C ZINC000072133970 KK Annotated Anodyne C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C\C=C\CCCCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000072133971 KK Annotated Mild CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072133992 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072133993 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072133994 KK Annotated Anodyne C1=C2\Sc3ccccc3N2CCCC[n+]2c(sc3ccccc32)/C=C/C=C2\Sc3ccccc3N2CCCC[n+]2c(sc3ccccc32)/C=C/1 ZINC000072134008 KK Annotated Clean Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CCc3ccccc3)C2=S)cc1 ZINC000072134011 KK Annotated Anodyne C1=C2\Sc3ccccc3N2CCC[n+]2c(sc3ccccc32)/C=C/C=C2\Sc3ccccc3N2CCC[n+]2c(sc3ccccc32)/C=C/1 ZINC000072134022 KK Annotated Clean COc1c(C)c(CCCCCCCCCN2CCN(CCCCCCCCCc3c(C)c(OC)c(OC)c(OC)c3OC)CC2)c(OC)c(OC)c1OC ZINC000072134023 KK Annotated Anodyne COC1=C(OC)C(=O)C(CCCCCCCCCN2CCN(CCCCCCCCCC3=C(C)C(=O)C(OC)=C(OC)C3=O)CC2)=C(C)C1=O ZINC000072134024 KK Annotated Mild CC[C@@H](C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000072134045 KK Annotated Anodyne CC[C@H](C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000072134046 KK Annotated Anodyne O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1 ZINC000072134091 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072134123 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000072134124 KK Annotated Anodyne COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc(OC)cc6)cc5c4CCN3C[C@H]2[C@H](C)O)cc1 ZINC000072134132 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134137 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN2C1=O ZINC000072134140 KK Annotated Anodyne CC[C@]12CCCN3CCc4c(n(c5ccccc45)[C@@H](c4ccc5c(c4)[C@@]46CCN7CC=C[C@@]8(C[C@@H](C(=O)OC)[C@]4(N5)[C@@H]8C)[C@H]76)C1)[C@@H]32 ZINC000072134147 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134158 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072134159 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134162 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134163 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12 ZINC000072134172 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)[C@H](C)c2ccccc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000072134190 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134196 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072134197 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134220 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000072134221 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000072134223 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000072134224 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1cc2ccccc2o1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000072134230 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1cc2ccccc2o1)N1CCC(n2c(O)nc3ccccc32)CC1 ZINC000072134231 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000072134242 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCc2ccccn2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072134243 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCc2ccccn2)C[C@H](C(=O)N2CCCCC2)[C@@]31CCc1ccccc1 ZINC000072134244 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(Cl)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134778 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCc2ccccc2)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NC(C)(C)C)C(=O)N1CC3 ZINC000072134779 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072134789 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000072134794 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000072134795 KK Annotated Anodyne O=C1c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)cc2S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncc(Br)cn4)CC3)c21 ZINC000072134797 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134816 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072134830 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(C)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C(=O)N1CC3 ZINC000072134836 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000072134863 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000072134864 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3cccc(O)c3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072134869 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072134884 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072134885 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072134889 KK Annotated Anodyne O=C(N[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)NC[C@H](c2ccccc2)OC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072134890 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072134909 KK Annotated Anodyne CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072134910 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)COC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 ZINC000072134962 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)COC(=O)N(CCCl)CCCl)CC[C@H]23)C1 ZINC000072134963 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@H](C)COC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 ZINC000072134964 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)N(CCCl)CCCl)CC[C@H]23)C1 ZINC000072134965 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000072135017 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@@H]2O/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c1 ZINC000072135047 KK Annotated Mild O=C(N[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072135081 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc4ccccc34)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000072135116 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072135695 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072135696 KK Annotated Anodyne COc1ccccc1-c1ccc([C@@H]2C[C@H]3[C@H](CON3C)CN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000072135702 KK Annotated Anodyne COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000072135729 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000072135730 KK Annotated Mild O=C(N[C@H]1CC=C[C@@H](c2cccc(F)c2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000072135751 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072135775 KK Annotated Anodyne CC[C@@]12CC(C(=O)OC)=C3Nc4ccccc4[C@@]34CCN([C@@H]3c5cc6c(cc5O[C@@H]3[C@H]1O)NC1=C(C(=O)OC)C[C@]3(CC)C=CCN5CC[C@@]16[C@@H]53)[C@@H]24 ZINC000072135795 KK Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072135796 KK Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072135797 KK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cccc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072135815 KK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cccc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)CC1 ZINC000072135816 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072135821 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135851 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1 ZINC000072135852 KK Annotated Anodyne CSc1ccc(Oc2cccc3c2S(=O)(=O)N([C@@H](C)c2ccccc2)C[C@H](COCc2ccccc2)O3)cc1C ZINC000072135860 KK Annotated Anodyne CSc1ccc(Oc2cccc3c2S(=O)(=O)N([C@@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1C ZINC000072135861 KK Annotated Anodyne CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@@H]2[C@H]1[C@@H]1C[C@@H](c3ccccc31)N2C(=O)OCc1ccccc1 ZINC000072135878 KK Annotated Anodyne CCOC(=O)[C@H]1Nc2ccc(Cl)cc2[C@@H]2[C@H]1[C@H]1C[C@H](c3ccccc31)N2C(=O)OCc1ccccc1 ZINC000072135879 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000072135900 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C ZINC000072135939 KK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@H](c2cccc3ccccc23)c2nnnn2Cc2ccccc2)CC1 ZINC000072135945 KK Annotated Anodyne C(=C/c1ccccc1)\CN1CCN([C@@H](c2cccc3ccccc23)c2nnnn2Cc2ccccc2)CC1 ZINC000072135946 KK Annotated Anodyne O=C(N[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072135960 KK Annotated Anodyne Cc1cc2nc(-c3ccccc3Br)n(/C=C(\c3ccccc3)n3c(=O)[nH]c4ccccc43)c2cc1C ZINC000072136010 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3OC)c2S1(=O)=O ZINC000072136126 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3OC)c2S1(=O)=O ZINC000072136127 KK Annotated Anodyne COc1ccc(-c2ccc3[nH]c4c(c3c2)CCN2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000072136129 KK Annotated Anodyne COc1ccc(-n2nnnc2[C@@H](c2cccc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136172 KK Annotated Anodyne COc1ccc(-n2nnnc2[C@H](c2cccc3ccccc23)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000072136173 KK Annotated Anodyne FC(F)(F)Oc1ccccc1[C@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136235 KK Annotated Anodyne FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136236 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc4ccccc34)C[C@H]2C(C#N)(C#N)C(C#N)(C#N)C1 ZINC000072136237 KK Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1cc2ccccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136263 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1cc2ccccc2o1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072136264 KK Annotated Anodyne Cc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072136268 KK Annotated Anodyne Cc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072136269 KK Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000072136283 KK Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000072136284 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072136317 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072136318 KK Annotated Anodyne COc1nc(-c2ccc(C)cc2)cc(-c2ccccc2OCCOc2ccccc2-c2cc(-c3ccc(C)cc3)nc(OC)c2C#N)c1C#N ZINC000072136353 KK Annotated Mild COc1ccc(-c2cc(-c3ccccc3OCCOc3ccccc3-c3cc(-c4ccc(OC)cc4)nc(OC)c3C#N)c(C#N)c(OC)n2)cc1 ZINC000072136372 KK Annotated Mild CC(=O)Oc1cc(C(=O)Oc2cc3c(c(C)c2C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC3)cc(OC(C)=O)c1OC(C)=O ZINC000072136373 KK Annotated Anodyne CC(C)(C)C(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000072136403 KK Annotated Reactive CC(C)(C)OC(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000072136404 KK Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000072136418 KK Annotated Reactive CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000072136419 KK Annotated Reactive CCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 ZINC000072136425 KK Annotated Clean O=C(NCc1ccccc1C(F)(F)F)c1cccc2c1C(=O)c1ccc(N3CCC(N4CCCCC4)CC3)cc1S2(=O)=O ZINC000072136427 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 ZINC000072136429 KK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072136436 KK Annotated Anodyne C[C@@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072136437 KK Annotated Anodyne C[C@H]1[C@@H](c2ccccc2)Oc2ccc(Cl)cc2S(=O)(=O)N1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000072136438 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000072136520 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000072136528 KK Annotated Anodyne Cc1cccnc1[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072136537 KK Annotated Anodyne Cc1cccnc1[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072136538 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000072136542 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccc(F)cc4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000072136543 KK Annotated Anodyne COc1ccc(-c2ccc3[nH]c4c(c3c2)CCN2C(=O)[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000072136585 KK Annotated Anodyne C[C@@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3)c2S1(=O)=O ZINC000072136596 KK Annotated Anodyne C[C@H](c1ccccc1)N1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3)c2S1(=O)=O ZINC000072136597 KK Annotated Anodyne CCC/C=C/c1ccc(CN2[C@H](CC(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000072136643 KK Annotated Anodyne CCC/C=C/c1ccc(CN2[C@@H](CC(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000072136644 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000072136655 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000072136656 KK Annotated Anodyne COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5cccc(C#N)c5)c4)n2)[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000072136674 KK Annotated Mild COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5cccc(C#N)c5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000072136675 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000072136684 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OC[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000072136693 KK Annotated Mild COc1ccc(CN(C2CCCC2)S(=O)(=O)c2cc(Br)ccc2Br)c(OC)c1 ZINC000072136702 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072136725 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072136726 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072136750 KK Annotated Anodyne CCCCN1C[C@H](c2ccc(Br)cc2)[C@H](CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000072136752 KK Annotated Anodyne CCCCN1C[C@@H](c2ccc(Br)cc2)[C@H](CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000072136753 KK Annotated Anodyne CCCCN1C[C@@H](c2ccc(Br)cc2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O ZINC000072136754 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccc6c(c5)OCO6)cc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1ccc(F)cc1 ZINC000072136770 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000072136775 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000072136776 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3ccc4c(c3)OCC(=O)N4)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072136805 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000072136818 KK Annotated Anodyne CC(C)c1ccc(Oc2cccc3c2S(=O)(=O)N([C@@H](C)c2ccccc2)C[C@H](COCc2ccccc2)O3)cc1 ZINC000072136822 KK Annotated Anodyne CC(C)c1ccc(Oc2cccc3c2S(=O)(=O)N([C@@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1 ZINC000072136823 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc3ccccc23)cc1 ZINC000072136856 KK Annotated Anodyne O=C1[C@@H](Cc2ccccc2)Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Br)cc1 ZINC000072136873 KK Annotated Anodyne O=C1[C@H](Cc2ccccc2)Nc2ncnc(N3CCN(c4ccccc4)CC3)c2N1Cc1ccc(Br)cc1 ZINC000072136874 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CCc1ccccc1 ZINC000072136882 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(Cl)cc2)C1=O ZINC000072136884 KK Annotated Anodyne COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OCC[C@@H]2C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O2)cc1 ZINC000072136891 KK Annotated Mild CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2CC(C)C)cc1 ZINC000072136893 KK Annotated Anodyne COc1cc(CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@@H](CCc2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000072136927 KK Annotated Anodyne COc1cc(CCN(C(=O)c2cccc(S(C)(=O)=O)c2)[C@H](CCc2ccccc2)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000072136928 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2F)cc1 ZINC000072136938 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2CC(C)C)cc1 ZINC000072136945 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCCC1 ZINC000072136967 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072136968 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072136969 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072136971 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(Cc3ccco3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072136972 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072137487 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000072137488 KK Annotated Anodyne O=C(N[C@@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](c2ccccc2)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000072137496 KK Annotated Anodyne COc1ccc([C@@H]2CN(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000072137505 KK Annotated Anodyne COc1ccc([C@@H]2CN(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000072137506 KK Annotated Anodyne COc1ccc([C@H]2CN(c3ccc(OC)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(Br)cc2)cc1 ZINC000072137507 KK Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000072137524 KK Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000072137525 KK Annotated Anodyne O=C(N[C@@H](c1cccnc1)c1ccc2c(c1)OCO2)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137566 KK Annotated Anodyne O=C(N[C@H](c1cccnc1)c1ccc2c(c1)OCO2)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137567 KK Annotated Anodyne COc1ccc(-c2nc3c(c4c2C[C@@H](c2ccccc2)OC4)CN(S(=O)(=O)c2ccc(Cl)c4nonc24)CC3)c(C)c1 ZINC000072137575 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000072137720 KK Annotated Anodyne O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCC(N4CCCCC4)CC3)cc1S2(=O)=O ZINC000072137740 KK Annotated Anodyne Cc1cccc(-c2ccc3[nH]c4c(c3c2)CCN2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)NC3CCCCC3)C[C@@H]42)c1 ZINC000072137749 KK Annotated Anodyne Cc1ccc([C@@H]2C=CC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)N2Cc2ccccc2)cc1 ZINC000072137798 KK Annotated Anodyne CCCCC[C@@H]1[C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3CC(=O)[C@H]2[C@H](c2ccccc2)N1S(=O)(=O)c1ccc(C)cc1 ZINC000072137804 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072137831 KK Annotated Anodyne Cc1cccc(-c2ccc3[nH]c4c(c3c2)CCN2C[C@@H]([C@H](C)OC(=O)Nc3ccccc3C)[C@@H](N(C)C(=O)Nc3ccccc3C)C[C@@H]42)c1 ZINC000072137843 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072137854 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072137855 KK Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCCCC3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000072137858 KK Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCCCC3)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000072137859 KK Annotated Anodyne O=C(N[C@H](c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137885 KK Annotated Anodyne O=C(N[C@@H](c1ccc2c(c1)OCO2)c1ccccn1)C1CCN(CCOc2ccc(Cl)cc2Cl)CC1 ZINC000072137886 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(C)(=O)=O)[C@H](c2ccccc2)C1 ZINC000072137913 KK Annotated Anodyne C[C@H](O)[C@@H]1C(=O)N2CCc3ccc(-c4ccccc4)cc3[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000072137919 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000072137923 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000072137924 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000072137929 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000072137930 KK Annotated Anodyne C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072137933 KK Annotated Anodyne C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000072137934 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000072137936 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000072137937 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCc4ccc5c(c4)OCO5)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000072137958 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCc4ccc5c(c4)OCO5)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000072137959 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000072137962 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000072137963 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000072137971 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000072137972 KK Annotated Anodyne COc1ccc(NC(=O)N(C)[C@H]2C[C@H]3c4[nH]c5ccc(-c6ccc(OC)cc6)cc5c4CCN3C(=O)[C@H]2[C@H](C)O)cc1 ZINC000072137977 KK Annotated Anodyne CC(C)(C)C(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000072138011 KK Annotated Reactive COc1nc(-c2cccs2)cc(-c2ccccc2OCCOc2ccccc2-c2cc(-c3cccs3)nc(OC)c2C#N)c1C#N ZINC000072138013 KK Annotated Mild CCN1C/C(=C\c2ccc(C)cc2)c2cc3nc4n(-c5ccc(Cl)cc5)nc(C(=O)Nc5ccccc5)n4c(=O)c3c(-c3ccc(C)cc3)c2C1 ZINC000072138014 KK Annotated Anodyne O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(P(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12 ZINC000072138047 KK Annotated Reactive COc1nc(-c2ccccc2)cc(-c2ccccc2OCCOc2ccccc2-c2cc(-c3ccccc3)nc(OC)c2C#N)c1C#N ZINC000072138059 KK Annotated Mild COc1nc(-c2ccc(Cl)cc2)cc(-c2ccccc2OCCOc2ccccc2-c2cc(-c3ccc(Cl)cc3)nc(OC)c2C#N)c1C#N ZINC000072138061 KK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)Oc2cc3c(c(C)c2C)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC3)cc1OC(C)=O ZINC000072138071 KK Annotated Anodyne CC(C)(C)OC(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000072138088 KK Annotated Reactive COc1c(C)c(OC)c(OC)c2c1C[C@H]1[C@@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@H](C(=O)N1[C@@H]2COC(=O)c1cccc2ccccc12)N3C ZINC000072138144 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H]4C(=O)N(C5CCCCC5)C(=O)[C@H]4CC(=O)[C@H]3[C@@H]2c2cccc3ccccc23)cc1 ZINC000072138194 KK Annotated Anodyne COc1ccc(-c2ccc3[nH]c4c(c3c2)CCN2C(=O)[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3ccccc3)C[C@@H]42)cc1 ZINC000072138199 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 ZINC000072138231 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000072138255 KK Annotated Anodyne CSc1ccc(Oc2cccc3c2S(=O)(=O)N(C2CC2)C[C@H](COCc2ccccc2)O3)cc1C ZINC000072138271 KK Annotated Anodyne CSc1ccc(Oc2cccc3c2S(=O)(=O)N(C2CC2)C[C@@H](COCc2ccccc2)O3)cc1C ZINC000072138272 KK Annotated Anodyne O=C(C[C@H]1C/C=C\C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)OC[C@H](Cc2ccccc2)NC1=O)N[C@H](CO)Cc1ccccc1 ZINC000072138276 KK Annotated Anodyne COc1cc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000072138330 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000072138339 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000072138386 KK Annotated Anodyne O=C(N[C@H]1C/C=C/[C@@H](c2ccc(F)cc2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000072138387 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000072138396 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000072138397 KK Annotated Anodyne CCOC1=C2[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)[C@H](C(C)(C)C)[C@H]2C(C#N)(C#N)C(C#N)(C#N)C1 ZINC000072138432 KK Annotated Mild CCOC1=C2[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)[C@@H](C(C)(C)C)[C@H]2C(C#N)(C#N)C(C#N)(C#N)C1 ZINC000072138433 KK Annotated Mild Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000072138466 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 ZINC000072138467 KK Annotated Anodyne Cc1ccccc1Oc1ccc2c(c1)[C@@H]1C[C@H](N(C)C(=S)Nc3ccc(F)cc3)[C@H]([C@H](C)O)C(=O)N1CC2 ZINC000072138482 KK Annotated Anodyne O=C1OC[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(=O)N(CCO)Cc2ccccc2)C/C=C/CC[C@H]1Cc1ccc(F)cc1 ZINC000072138505 KK Annotated Anodyne C/C=C/C([P@@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1)[P@@]1(=O)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000072138617 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000072139220 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000072139328 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@H](CO)Cc2ccccc2)C(=O)N1 ZINC000072139332 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@@H]3c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)cc1Cl ZINC000072139333 KK Annotated Anodyne Nc1c(Cl)cc(-c2csc(N3CCC[C@H]3c3nc4cc(Cl)c(N5CCCCC5)cc4n3CCOCCO)n2)cc1Cl ZINC000072139334 KK Annotated Anodyne CC(C)[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072139368 KK Annotated Anodyne CC(C)[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000072139369 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000072139380 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000072139382 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2cccc(C)c2)C1 ZINC000072139386 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000072139387 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000072139388 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4cccc(Cl)c4)C[C@@H]3N2S(=O)(=O)c2ccccc2)cc1 ZINC000072139390 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@@H]1c2c(n(S(=O)(=O)c3ccccc3)c3ccccc23)C[C@H]1OCc1ccccc1 ZINC000072139464 KK Annotated Anodyne CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)oc1-c1cccc(C(F)(F)F)c1 ZINC000072139471 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072139472 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000072139473 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000072139474 KK Annotated Anodyne COc1ccc(NC(=O)O[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccc(-c6ccc(OC)cc6)cc45)[C@@H]3C[C@@H]2N(C)C(=O)Nc2ccc(OC)cc2)cc1 ZINC000072139545 KK Annotated Anodyne COc1cc(OC)cc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(CN5CCOCC5)cc4)ccc3n2C)c1 ZINC000072139580 KK Annotated Mild Cc1ccc(CN2C(=O)C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)CC=C[C@H]2c2ccc(C)cc2)cc1 ZINC000072139641 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000072139655 KK Annotated Anodyne O=C(c1ccccc1F)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000072139693 KK Annotated Reactive CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000072139798 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1Cc1ccc(F)cc1 ZINC000072139799 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]2(C)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000072139840 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)Cc1cc2ccccc2s1 ZINC000072139862 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCCC2)C1=S ZINC000072139922 KK Annotated Anodyne C[C@@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCCC1 ZINC000072139957 KK Annotated Anodyne C[C@H](C1CCN(C(=O)CC[C@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCCC1 ZINC000072139958 KK Annotated Anodyne C[C@@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCCC1 ZINC000072139959 KK Annotated Anodyne C[C@H](C1CCN(C(=O)CC[C@@]2(c3ccc(Cl)cc3)c3ccccc3-c3nccn32)CC1)N1CCCC1 ZINC000072139960 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2ccc(Nc3nccn4c(-c5ccccc5Oc5ccccc5)cnc34)cc2)cc1 ZINC000072139971 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000072140745 KK Annotated Anodyne CCOc1cc(C(=O)N2CCC(C[C@@H]3CC(c4ccc(Cl)cc4)=NO3)(C(=O)NCC3CCCCC3)CC2)cc(OCC)c1OCC ZINC000072140746 KK Annotated Anodyne CCOc1cc(C(=O)N2CCC(C[C@H]3CC(c4ccc(Cl)cc4)=NO3)(C(=O)NCC3CCCCC3)CC2)cc(OCC)c1OCC ZINC000072140747 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072140750 KK Annotated Anodyne CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072140751 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072140753 KK Annotated Anodyne CN([C@@H](C(=O)OC(C)(C)C)c1ccccc1)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@H](C(=O)OC(C)(C)C)c2ccccc2)c1 ZINC000072140758 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000072140760 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(C(C)(C)C)cc2)C(=O)[C@@H](CC(=O)NCc2cccc3ccccc23)C1 ZINC000072140761 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072140781 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072140782 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](CC(C)C)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072140785 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072140797 KK Annotated Anodyne CC1=C(C(=O)N(C(C)C)C(C)C)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000072140798 KK Annotated Anodyne COc1cc(CCN(C(=O)c2cc3ccccc3[nH]2)[C@@H](c2ccccn2)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000072140901 KK Annotated Anodyne COc1cc(CCN(C(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccn2)c2nc3ccccc3[nH]2)cc(OC)c1 ZINC000072140902 KK Annotated Anodyne O[C@H](CNCCN(C1CCCCC1)C1CCCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072140937 KK Annotated Anodyne O[C@@H](CNCCN(C1CCCCC1)C1CCCCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072140938 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(C)cc2)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000072140944 KK Annotated Anodyne Cc1cccc(-c2ccc3[nH]c4c(c3c2)CCN2C[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3ccc(F)cc3)C[C@@H]42)c1 ZINC000072141022 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000072141024 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(CC)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000072141039 KK Annotated Anodyne FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141090 KK Annotated Anodyne FC(F)(F)Oc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141091 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141101 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072141102 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2Cl)[C@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]2C1 ZINC000072141117 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CC2CCCCCC2)C1=S ZINC000072141174 KK Annotated Anodyne CC(C)N(C(=O)[C@H]1C[C@H](CC(=O)NCCC2=CCCCC2)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C)C(C)C ZINC000072141237 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072141298 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072141299 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCc2ccccc2)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CC3 ZINC000072141306 KK Annotated Anodyne COc1ccc(-c2ccc3[nH]c4c(c3c2)CCN2C(=O)[C@@H]([C@H](C)O)[C@@H](N(C)C(=O)Nc3ccc(F)cc3)C[C@@H]42)cc1 ZINC000072141307 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2nnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCN(C)CC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072141378 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072141410 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000072141411 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cccc(NS(C)(=O)=O)c3)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000072141476 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCCC2)cc1 ZINC000072141617 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](CC(C)C)N(CCc2ccccc2)C1=S ZINC000072141711 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000072141837 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(CC2CCCCC2)C1=O ZINC000072141967 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(Br)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000072142222 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072142261 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000072142262 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccc6c(c5)OCO6)cc34)[C@@H]2C[C@@H]1N(C)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000072142436 KK Annotated Anodyne O=C1c2cc(Br)ccc2N(Cc2ccc(Br)cc2)S(=O)(=O)[C@H]1c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072142537 KK Annotated Bother O=C1c2cc(Br)ccc2N(Cc2ccc(Br)cc2)S(=O)(=O)[C@@H]1c1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072142539 KK Annotated Bother COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072142548 KK Annotated Anodyne Cc1nc(C(=N)Nc2ccc(-c3ccc(-c4ccc(NC(=N)c5csc(C)n5)cc4OC(C)C)o3)c(OC(C)C)c2)cs1 ZINC000072142569 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(Cl)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000072142573 KK Annotated Anodyne O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)O1 ZINC000072142585 KK Annotated Anodyne CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]2CC[C@]13C ZINC000072142656 KK Annotated Anodyne in-vitro O=[P@]1(C(c2ccncc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000072142677 KK Annotated Anodyne COc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072142702 KK Annotated Anodyne COc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1 ZINC000072142703 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000072142799 KK Annotated Anodyne CCN1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@H]2C1 ZINC000072142828 KK Annotated Anodyne CCN1C/C(=C\c2cc(OC)c(OC)c(OC)c2)C2=NN(c3ccccc3)[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2C1 ZINC000072142829 KK Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]21Cc1ccccc1 ZINC000072144100 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4cccc(Br)c4)C(=O)N23)cc1 ZINC000072144102 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4cccc(Br)c4)C(=O)N23)c1 ZINC000072144103 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072144104 KK Annotated Anodyne C[C@@H]1CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN1 ZINC000072144105 KK Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3c([C@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144109 KK Annotated Anodyne COc1cc([C@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144110 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c2c(OC)cc(OC)c3[C@H](CCN2CCN(c3ccccc3)CC2)c2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000072144111 KK Annotated Anodyne COc1cc([C@@H]2CC(=O)Oc3c([C@@H](CCN4CCN(c5ccccc5)CC4)c4ccc(N(C)C)cc4)c(OC)cc(OC)c32)cc(OC)c1OC ZINC000072144112 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072144115 KK Annotated Anodyne C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCCCC1 ZINC000072144667 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072144695 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072144733 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCCCn1ccnc1 ZINC000072145336 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cccc5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072145339 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072146506 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072146507 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=C[C@H](c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1 ZINC000072147595 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@]2(O)c2ccc(OCC3=C[C@@H](c4c(F)ccc(F)c4Cl)NO3)nc2)C2CC2)c1 ZINC000072147596 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c(Cl)cn1 ZINC000072147601 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147602 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000072147603 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NC[C@@H](C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NC[C@@H](C)c3ccccc3)c2C1=O ZINC000072147604 KK Annotated Mild CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NC[C@H](C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NC[C@@H](C)c3ccccc3)c2C1=O ZINC000072147605 KK Annotated Mild CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)NC[C@H](C)c3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)NC[C@H](C)c3ccccc3)c2C1=O ZINC000072147606 KK Annotated Mild COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c1 ZINC000072147607 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(N3CC[C@@H](Oc4c(Cl)cc(C)cc4Cl)C3)nc2)C2CC2)c(Cl)cn1 ZINC000072147608 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3C(=O)Cc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(C(=O)Cc3ccccc3)c2C1=O ZINC000072147611 KK Annotated Mild COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c(Cl)cn1 ZINC000072147612 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147613 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c1 ZINC000072147614 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147619 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147620 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@@H]2CNCC[C@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147621 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-] ZINC000072147622 KK Annotated Anodyne COCCc1ccc(Cl)c(CN(C(=O)[C@@H]2CNCC[C@@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147623 KK Annotated Anodyne CS(=O)(=O)c1cc2cc(Nc3ccccc3)ccc2c(O)c1/N=N/c1ccc(-c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1 ZINC000072147626 KK Annotated Clean CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCCC)cc2)N[C@@H]3c2ccc(OCCC)cc2)cc1 ZINC000072147629 KK Annotated Mild CCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000072147630 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000072147631 KK Annotated Mild CCCOc1ccc([C@H]2N[C@H](c3ccc(OCCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCCC)cc2)N[C@H]3c2ccc(OCCC)cc2)cc1 ZINC000072147632 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCCCC)cc2)N[C@@H]3c2ccc(OCCCC)cc2)cc1 ZINC000072147633 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCCCC)cc2)N[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000072147634 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@H](c3ccc(OCCCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCCCC)cc2)N[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000072147635 KK Annotated Mild CCCCOc1ccc([C@H]2N[C@H](c3ccc(OCCCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCCCC)cc2)N[C@H]3c2ccc(OCCCC)cc2)cc1 ZINC000072147636 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)C2C(=NOC)C1[C@H](c1ccccc1OCC)N[C@@H]2c1ccccc1OCC ZINC000072147639 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@@H](c2ccccc2OCC)C2C(=NOC)C1[C@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000072147640 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)C2C(=NOC)C1[C@@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000072147641 KK Annotated Mild CCOc1ccccc1[C@H]1N[C@H](c2ccccc2OCC)C2C(=NOC)C1[C@H](c1ccccc1OCC)N[C@H]2c1ccccc1OCC ZINC000072147642 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000072147643 KK Annotated Mild CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000072147644 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000072147645 KK Annotated Mild CCOc1ccc([C@H]2N[C@H](c3ccc(OCC)cc3)C3C(=NOC)C2[C@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000072147646 KK Annotated Mild CON=C1C2[C@@H](c3ccc(SC)cc3)N[C@H](c3ccc(SC)cc3)C1[C@H](c1ccc(SC)cc1)N[C@@H]2c1ccc(SC)cc1 ZINC000072147648 KK Annotated Mild CON=C1C2[C@@H](c3ccc(SC)cc3)N[C@@H](c3ccc(SC)cc3)C1[C@H](c1ccc(SC)cc1)N[C@@H]2c1ccc(SC)cc1 ZINC000072147650 KK Annotated Mild Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CNc3ccc(C(C)(C)C)cc3)c(C)c2)cc(C)c1OC[C@H](O)CNc1ccc(C(C)(C)C)cc1 ZINC000072147651 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@H](O)CNc3ccc(C(C)(C)C)cc3)c(C)c2)cc(C)c1OC[C@@H](O)CNc1ccc(C(C)(C)C)cc1 ZINC000072147652 KK Annotated Anodyne Cc1cc(C(C)(C)c2cc(C)c(OC[C@@H](O)CNc3ccc(C(C)(C)C)cc3)c(C)c2)cc(C)c1OC[C@@H](O)CNc1ccc(C(C)(C)C)cc1 ZINC000072147653 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CCNC(=O)COC(C)(C)C)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147662 KK Annotated Anodyne CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147664 KK Annotated Anodyne CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147665 KK Annotated Anodyne CS(=O)(=O)c1ccc2c(/N=N/c3ccc(-c4ccc(/N=N/c5ccc(N)c6cc(S(=O)(=O)O)ccc56)cc4)cc3)ccc(N)c2c1 ZINC000072147666 KK Annotated Clean CS(=O)(=O)c1cc2ccc(Nc3ccccc3)cc2c(O)c1/N=N/c1ccc(-c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1 ZINC000072147668 KK Annotated Clean O=C(O)c1ccc(-c2ccc(OCCc3cc([C@@](O)(CCN4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1 ZINC000072147669 KK Annotated Anodyne O=C(O)c1ccc(-c2ccc(OCCc3cc([C@](O)(CCN4CCOCC4)c4ccc(Br)cc4)ccc3Cl)cc2)cc1 ZINC000072147670 KK Annotated Anodyne CCNCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147672 KK Annotated Anodyne CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147682 KK Annotated Anodyne CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147683 KK Annotated Anodyne COc1cc(C(=O)c2ccc(-c3csc(NC(=O)[C@H](N)Cc4ccc(C(F)(F)F)cc4)n3)cc2-n2cncn2)cc(OC)c1OC ZINC000072147684 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CC(=O)NC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147685 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNC(=O)C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147686 KK Annotated Anodyne CCOc1cc(C(=O)N2CCC(C[C@@H]3CC(c4cccc(Br)c4)=NO3)(C(=O)NCC3CCCCC3)CC2)cc(OCC)c1OCC ZINC000072147688 KK Annotated Anodyne CCOc1cc(C(=O)N2CCC(C[C@H]3CC(c4cccc(Br)c4)=NO3)(C(=O)NCC3CCCCC3)CC2)cc(OCC)c1OCC ZINC000072147689 KK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)[C@@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@@H]2CN1C(=O)c1ccccc1 ZINC000072147690 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@@H]2CN1C(=O)c1ccccc1 ZINC000072147691 KK Annotated Anodyne COC(=O)[C@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@@H]2CN1C(=O)c1ccccc1 ZINC000072147692 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@@H]2CN1C(=O)c1ccccc1 ZINC000072147693 KK Annotated Anodyne CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147712 KK Annotated Anodyne COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1 ZINC000072147721 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1 ZINC000072147724 KK Annotated Anodyne CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000072147728 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1 ZINC000072147741 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)cn1 ZINC000072147744 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3CCCc3ccccc3)C2=O)C(=O)c2cc(O)c(O)c(CCCc3ccccc3)c2C1=O ZINC000072147746 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@@H](NCc4ccccc4)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072147782 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@@H]3C[C@H](NCc4ccccc4)C[C@@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072147805 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@@H]3C[C@@H](NCc4ccccc4)C[C@@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072147807 KK Annotated Mild C[C@@H](O[C@H]1CN2C(=O)[C@H]3C[C@H](NCc4ccccc4)C[C@H]3[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000072147809 KK Annotated Mild CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@@H](c2ccc(Cl)cc2)N(C(C)=O)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000072147828 KK Annotated Anodyne CC(=O)N(C1=NN(C(C)=O)C2(S1)[C@H]1CCC[C@@H]2[C@H](c2ccc(Cl)cc2)N(C(C)=O)[C@H]1c1ccc(Cl)cc1)c1ccccc1 ZINC000072147829 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNCC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147859 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CCNC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147861 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CCNCC(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147862 KK Annotated Anodyne Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000072147863 KK Annotated Anodyne C=CCOc1ccc([C@H]2N[C@H](c3ccc(OCC=C)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000072147878 KK Annotated Mild C=CCOc1ccc([C@H]2N[C@@H](c3ccc(OCC=C)cc3)C3C(=NOC)C2[C@@H](c2ccc(OCC=C)cc2)N[C@H]3c2ccc(OCC=C)cc2)cc1 ZINC000072147882 KK Annotated Mild CSc1ccc([C@H]2N[C@@H](c3ccc(SC)cc3)C3C(=NO)C2[C@H](c2ccc(SC)cc2)N[C@@H]3c2ccc(SC)cc2)cc1 ZINC000072148890 KK Annotated Mild CSc1ccc([C@H]2N[C@@H](c3ccc(SC)cc3)C3C(=NO)C2[C@H](c2ccc(SC)cc2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000072148891 KK Annotated Mild CSc1ccc([C@H]2N[C@H](c3ccc(SC)cc3)C3C(=NO)C2[C@@H](c2ccc(SC)cc2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000072148892 KK Annotated Mild CSc1ccc([C@H]2N[C@H](c3ccc(SC)cc3)C3C(=NO)C2[C@H](c2ccc(SC)cc2)N[C@H]3c2ccc(SC)cc2)cc1 ZINC000072148893 KK Annotated Mild COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1 ZINC000072148930 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)c3c(cc(O)c(O)c3Cc3ccc(Cl)cc3)C2=O)C(=O)c2cc(O)c(O)c(Cc3ccc(Cl)cc3)c2C1=O ZINC000072148938 KK Annotated Mild CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 ZINC000072148947 KK Annotated Reactive in-vitro CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1 ZINC000072148950 KK Annotated Anodyne CC1=C(c2c(C)cc(O)c3c2C(=O)C(c2c(O)c4c(C)cccc4oc2=O)=C(c2c(O)c4c(C)cccc4oc2=O)C3=O)C(=O)c2c(O)cccc2C1=O ZINC000072148952 KK Annotated Mild CC(C)(Cc1ccc(-c2cccc(Cl)c2Cl)cc1)C(=O)N1CC(F)(F)C[C@H]1c1ncc(-c2cccc(Br)c2)[nH]1 ZINC000072148963 KK Annotated Anodyne Clc1ccc(S/C=C(/c2ccc3ccccc3c2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc4ccccc4c3)n2)cc1 ZINC000072149298 KK Annotated Anodyne Clc1ccc(-c2nn(-c3ccccc3)cc2C(c2c(-c3ccccc3)[nH]c3ccccc23)c2c(-c3ccccc3)[nH]c3ccccc23)cc1 ZINC000072149300 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000072149310 KK Annotated Mild Clc1ccc(S/C=C(\c2ccc3ccccc3c2)n2cc(Sc3ccc(Cl)cc3)c(-c3ccc4ccccc4c3)n2)cc1 ZINC000072149319 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCCC(=O)O)nn1 ZINC000072149337 KK Annotated Anodyne COc1cc(C(=O)c2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c(Br)c1OC ZINC000072149395 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)o1 ZINC000072149479 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072150245 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072150246 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072150254 KK Annotated Anodyne Cc1c(C(=O)N2C[C@]3(CC(c4cccc(NC(=O)CC(c5ccccc5)c5ccccc5)c4)=NO3)C[C@@H]2C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072150263 KK Annotated Bother Cc1c(C(=O)N2C[C@@]3(CC(c4cccc(NC(=O)CC(c5ccccc5)c5ccccc5)c4)=NO3)C[C@@H]2C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072150264 KK Annotated Bother CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000072151427 KK Annotated Anodyne CCCCCCCNC(=O)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000072151438 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000072151439 KK Annotated Mild COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccc(OC)cc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072151442 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072152047 KK Annotated Anodyne Cc1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCCCCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000072152051 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072152590 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072152651 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072152652 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000072152653 KK Annotated Anodyne NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000072152656 KK Annotated Anodyne NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000072152657 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072152707 KK Annotated Anodyne O=C1c2ccc(-c3ccc(F)cc3OCc3ccccc3)cc2S(=O)(=O)c2cccc(C(=O)N3CCN(c4ncc(Cl)cc4Cl)CC3)c21 ZINC000072153231 KK Annotated Anodyne COC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3ccc4cccc5ccc1c3c45)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](C)C2 ZINC000072153232 KK Annotated Bother CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000072153233 KK Annotated Bother CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@H]1c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000072153234 KK Annotated Bother COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072153840 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C/C=C\CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@](C)(CCOC(=O)c2cccc(N=[N+]=[N-])c2)[C@@H](O)CC(=O)O1 ZINC000072153842 KK Annotated Mild C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCN(C(=O)OCC)S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000072154462 KK Annotated Reactive O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000072155034 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@H]12 ZINC000072155035 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@H]21 ZINC000072155036 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H]2COC(=O)OC[C@@H]21 ZINC000072155037 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072155038 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)o1 ZINC000072155857 KK Annotated Anodyne CC(=O)OC[C@H]1[C@@H](C)C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC(C)=O ZINC000072157035 KK Annotated Anodyne CC(=O)OC[C@H]1[C@@H]2CC[C@H]3[C@@H](OCc4ccc(F)cc4C(F)(F)F)OC[C@]4(C)[C@H]3C2=C(CN4C(=O)OC(C)(C)C)[C@H](C)[C@@H]1COC(C)=O ZINC000072157036 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCCNc4ccc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072157038 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)o1 ZINC000072157044 KK Annotated Anodyne COC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)Nc1ccc3cc4ccccc4cc3c1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H](C)C2 ZINC000072157047 KK Annotated Bother CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](CCC(=O)OC(C)(C)C)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000072157048 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4c[nH]c5ccc(OC)cc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072157050 KK Annotated Anodyne NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000072157051 KK Annotated Anodyne NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1 ZINC000072157052 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072157054 KK Annotated Anodyne CC1=C(C)[C@@H](C(=O)O)C(=O)[C@H](C)[C@@H]1OC(=O)c1c(C)c(C)c(OC(=O)c2c(C)c(CN[C@@H](C)c3ccccc3)c(O)c(C)c2O)c(C)c1O ZINC000072158210 KK Annotated Clean CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000072158212 KK Annotated Mild CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1 ZINC000072158213 KK Annotated Mild COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072158214 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)c(F)c4F)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072158215 KK Annotated Anodyne CC[C@H](C)Cc1cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCCCCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000072158216 KK Annotated Anodyne COc1ccc(N2C(=O)N3[C@H](c4ccc(Cl)cc4)[C@@H]4C(=O)N(C5CCCCC5)C(=O)[C@@H]4[C@]3(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000072158217 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000072158219 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072158220 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072158222 KK Annotated Anodyne Cc1cc(CNC(=O)c2cccc3c2C(=O)c2ccc(-c4ccc(F)cc4OCc4ccccc4)cc2S3(=O)=O)c(C(F)(F)F)o1 ZINC000072158225 KK Annotated Anodyne CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCCCCNC(=O)OC(C)(C)C)nn1 ZINC000072158226 KK Annotated Anodyne CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCC2(CC1)CC(c1cccc(Br)c1)=NO2 ZINC000072158228 KK Annotated Anodyne CCCC[C@H](CC)C(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCC2(CC1)CC(c1cccc(Br)c1)=NO2 ZINC000072158229 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)c(F)c(F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072158230 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5cc(F)ccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072158231 KK Annotated Anodyne CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](CC)[C@H]3N(CC5)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000072159477 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5cc(F)ccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072159479 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072159480 KK Annotated Anodyne NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000072160850 KK Annotated Anodyne NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)C(c1ccccc1)c1ccccc1 ZINC000072160851 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072160852 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(O)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072160854 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072160859 KK Annotated Anodyne CC(C)(C)OC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)o1 ZINC000072160861 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)o1 ZINC000072160862 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC(C)=O)[C@H]1COC(C)=O ZINC000072160863 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC(C)=O)[C@H]1COC(C)=O ZINC000072160864 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H](COC(C)=O)[C@@H]1COC(C)=O ZINC000072160865 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]21Cc1ccccc1 ZINC000072160866 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCCC1=CCCCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072160870 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000072160871 KK Annotated Anodyne CN(C)CCCNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O ZINC000072160872 KK Annotated Anodyne COC(=O)NC/C=C\c1nc(CC/C=C\C(=O)O[C@H]2C[C@H]3CC(=O)O[C@@H](/C=C\CC(C)C)C[C@@H]4CC[C@H](C)[C@H](C[C@@H](OC)C[C@H](C2)O3)O4)co1 ZINC000072161455 KK Annotated Anodyne COc1ccc(CNC(=O)C[C@H]2C[C@H](C(=O)N(C(C)C)C(C)C)[C@@]3(C)c4[nH]c5cc(-c6ccco6)ccc5c4CCN3C2=O)cc1OC ZINC000072162154 KK Annotated Anodyne CC(C)(C)OC(=O)C[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)o1 ZINC000072162156 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(CCc3ccccc3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCCC1=CCCCC1 ZINC000072162722 KK Annotated Anodyne Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4ccc(Br)cc4)C(=O)N23)c1 ZINC000072162799 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072163328 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4nc5ccccc5[nH]4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072163332 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4cc(-c5ccco5)ccc4c3CCN2C1=O)NCCc1ccccn1 ZINC000072163333 KK Annotated Anodyne CC(C)(C)[C@H]1COC(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C/C=C\C[C@@H](CC(=O)N[C@@H](CO)Cc2ccccc2)C(=O)N1 ZINC000072163334 KK Annotated Anodyne CCCCCCCC(=O)Nc1cc(C(=O)NCc2ccc(C)cc2)ccc1N1CCC2(CC1)CC(c1cccc(Br)c1)=NO2 ZINC000072163335 KK Annotated Mild COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4cc(F)cc5c4OCOC5)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072163337 KK Annotated Anodyne NC(=O)[C@H]1C[C@@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000072164539 KK Annotated Anodyne NC(=O)[C@H]1C[C@]2(CC(c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)=NO2)CN1C(=O)CC(c1ccccc1)c1ccccc1 ZINC000072164540 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072164541 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(Cl)c(C(F)(F)F)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072164542 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1C1CCCCC1)[C@@H](c1ccc(F)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21Cc1ccc(Cl)cc1 ZINC000072164543 KK Annotated Anodyne CC(C)=CC[C@]12Oc3cc(O)ccc3[C@]1(O)Oc1cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O ZINC000072164544 KK Annotated Anodyne CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@]1(O)Oc1cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c1C2=O ZINC000072164546 KK Annotated Anodyne Cc1cccc(N2C(=O)N3[C@H](c4ccc(Br)cc4)[C@@H]4C(=O)N(C(C)(C)C)C(=O)[C@@H]4[C@]3(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000072164548 KK Annotated Anodyne CC(C)(C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(Br)cc1)N1C(=O)N(c3cccc(Br)c3)C(=O)[C@@]21Cc1ccccc1 ZINC000072164549 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccccc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072164551 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]3[C@]3(Cc4ccc(Cl)cc4)C(=O)N(c4ccc(Br)cc4)C(=O)N23)cc1 ZINC000072164552 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4c[nH]c5ccc(O)cc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000072164554 KK Annotated Anodyne O=[P@]1(C(c2ccc(Cl)cc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000072167740 KK Annotated Anodyne O=C(/C(=C/c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(I)cc1)c1ccc(Br)cc1 ZINC000072169767 KK Annotated Mild Nc1c(Br)cc(Br)cc1/C=C(/Sc1ccc(Br)cc1)C(=O)c1ccc(Br)cc1 ZINC000072169768 KK Annotated Mild Cc1ccc(C([P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000072169781 KK Annotated Anodyne COc1cc2c(cc1OCCCOc1c(OC)cc(-c3cc(-c4cc(OC)c(OC)c(OC)c4)on3)cc1OC)N=C[C@@H]1CCCN1C2=O ZINC000072170156 KK Annotated Anodyne C=CC1=C(CC)[C@H]2/C=c3\[nH]/c(c(CC)c3CC)=C\C3=N/C(=C\c4[nH]c(c(CC)c4CC)/C=C/1N2)C(=O)C3(CC)CC ZINC000072170162 KK Annotated Mild COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170199 KK Annotated Anodyne COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170201 KK Annotated Anodyne COc1ccc(C2=NO[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170244 KK Annotated Anodyne COc1ccc(C2=NO[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170247 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1c(OC)cc(-c3cc(-c4cc(OC)c(OC)c(OC)c4)on3)cc1OC)N=C[C@@H]1CCCN1C2=O ZINC000072170254 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1c(OC)cc([C@@H]3CC(c4cc(OC)c(OC)c(OC)c4)=NO3)cc1OC)N=C[C@@H]1CCCN1C2=O ZINC000072170277 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1c(OC)cc([C@H]3CC(c4cc(OC)c(OC)c(OC)c4)=NO3)cc1OC)N=C[C@@H]1CCCN1C2=O ZINC000072170280 KK Annotated Anodyne COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170305 KK Annotated Anodyne COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170308 KK Annotated Anodyne COc1ccc([C@@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170309 KK Annotated Anodyne COc1ccc([C@H]2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170310 KK Annotated Anodyne COc1ccc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)cc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000072170389 KK Annotated Anodyne NCc1ccc([C@@H]2O[C@H](c3ccc(CO)cc3)[C@@H](c3ccccc3)[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O2)cc1 ZINC000072170649 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)S[C@H](C)[C@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000072170820 KK Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(Br)cc2)O1 ZINC000072170851 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(Br)cc2)O1 ZINC000072170852 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170866 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170867 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170868 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170869 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170907 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072170908 KK Annotated Anodyne C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Br)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170935 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(Br)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072170936 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(C(F)(F)F)cc2)O1 ZINC000072170941 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(/C(N)=N\O)cc2)=C(c2ccc(C(F)(F)F)cc2)O1 ZINC000072170942 KK Annotated Mild C[C@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(C(F)(F)F)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072171073 KK Annotated Mild C[C@@]1(Cc2ccccc2)CC(S(=O)(=O)c2ccc(C(F)(F)F)cc2)=C(c2ccc(/C(N)=N/O)cc2)O1 ZINC000072171074 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171080 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5C=CCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171081 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171763 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCCNC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171764 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171774 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCN(C(C)=O)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171775 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CC[C@@H](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171802 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CC[C@@H](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171803 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CC[C@H](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171804 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CC[C@H](C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171805 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCCC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171806 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCCC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171807 KK Annotated Anodyne O=NN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000072171827 KK Annotated Anodyne O=NN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000072171828 KK Annotated Anodyne O=NN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1ccccc1Cl ZINC000072171829 KK Annotated Anodyne O=NN1[C@H](c2ccccc2Cl)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1Cl ZINC000072171830 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC5CCNCC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171871 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC(=O)N(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171878 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OS(=O)(=O)c5ccc(C)cc5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171890 KK Annotated Anodyne O=C(/C(=C\c1cc(Br)c(O)c(Br)c1)S(=O)(=O)Cc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000072171923 KK Annotated Mild O=C(/C(=C\c1cc(Br)c(O)c(Br)c1)SCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000072171972 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CC(C)(C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171989 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CC(C)(C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072171990 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172003 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172004 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CCCN(C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172005 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CCCN(C)C5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172006 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5C=CCC(C)(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172017 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5C=CCC(C)(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172018 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCCN(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172022 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OCCCN(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172023 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172040 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(O[C@H]5CCCN(C)C5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172041 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC(=O)N(C)C)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172048 KK Annotated Anodyne CCOC(=S)S/C(C(=O)/C=C/c1ccc(OC)c(OC)c1)=C(O)\C=C\c1ccc(OC)c(OC)c1 ZINC000072172084 KK Annotated Mild O=C(/C(=C/c1ccc(Br)cc1)S(=O)(=O)Cc1ccc(I)cc1)c1ccc(I)cc1 ZINC000072172122 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OP(=O)(OC)OC)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172170 KK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072172190 KK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000072172191 KK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072172192 KK Annotated Anodyne O=NN1[C@H](c2ccc(Cl)cc2)[C@H](c2ccccc2)C(=O)[C@@H](c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000072172193 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072172207 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072172208 KK Annotated Anodyne Nc1c(Br)cc(Br)cc1/C=C(\C(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000072172222 KK Annotated Mild COc1cc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OCCCN(C)C ZINC000072172350 KK Annotated Anodyne COc1cc2cc(NC(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000072173002 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173007 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OS(=O)(=O)c5ccc(C)cc5)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173019 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CC(C)(C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173028 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CC(C)(C)C[C@@H](O)[C@H]5O)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173029 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(=O)CCCCCCC)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000072173044 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4cc(OC)c(OP(=O)(OC)OC)c(C)c4oc3=O)ccc2OC)c1 ZINC000072173047 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@@H]5CC(C)(C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072173048 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(O[C@H]5CC(C)(C)C[C@@H](O)[C@H]5O)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072173049 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OS(=O)(=O)c5ccc(C)cc5)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072173050 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OP(=O)(OC)OC)c(OC)c4oc3=O)ccc2OC)c1 ZINC000072173095 KK Annotated Anodyne CCN(CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1[S@]2=O ZINC000072173111 KK Annotated Anodyne CCN(CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1C)C(=O)c1ccccc1[S@@]2=O ZINC000072173112 KK Annotated Anodyne O=C(/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000072173144 KK Annotated Mild CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000072173234 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000072173235 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@]12C[C@@H](C(=O)N[C@@H](C)C(=O)O)N(C(=O)[C@@H](N)Cc3cc4ccccc4[nH]3)[C@H]1Nc1ccccc12 ZINC000072173236 KK Annotated Anodyne Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc(C(=O)NNC(=O)C(=O)c3c[nH]c4ccccc34)cc2)c1 ZINC000072173282 KK Annotated Reactive O=C(/C(=C\c1ccc(I)cc1)S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000072173322 KK Annotated Mild CN(CCc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000072173339 KK Annotated Anodyne Cc1ccc(CN2C(=O)c3ccccc3[S@](=O)c3ccc(C(=O)NCCCN(C)C4CCCCC4)cc32)c(C)c1 ZINC000072173429 KK Annotated Anodyne Cc1ccc(CN2C(=O)c3ccccc3[S@@](=O)c3ccc(C(=O)NCCCN(C)C4CCCCC4)cc32)c(C)c1 ZINC000072173430 KK Annotated Anodyne O=C(/C=C/c1cccc(Cl)c1)Nc1ccc(N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c(C(F)(F)F)c1 ZINC000072173508 KK Annotated Anodyne O=C(/C(=C/c1ccc(I)cc1)S(=O)(=O)Cc1ccc(I)cc1)c1ccc(Br)cc1 ZINC000072173533 KK Annotated Mild O=C(CSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 ZINC000072173589 KK Annotated Reactive CC(=O)Nc1sc2c(c1Cc1nnc(SCC(=O)N/N=C/c3ccccc3)n1NC(=O)c1ccc(Cl)cc1)CCCC2 ZINC000072173605 KK Annotated Reactive O=C1c2ccccc2[C@@]2(O)N3C/C(=C\c4ccc(Br)cc4)C(=O)[C@@]4(C3)[C@@H](c3ccc(Br)cc3)[C@H]3CCCN3[C@]124 ZINC000072174361 KK Annotated Mild O=C1c2ccccc2[C@]2(O)N3C/C(=C\c4ccc(Br)cc4)C(=O)[C@@]4(C3)[C@@H](c3ccc(Br)cc3)[C@H]3CCCN3[C@@]142 ZINC000072174363 KK Annotated Mild O=C1/C(=C/c2ccc(Br)cc2)CN2C[C@@]13[C@@H](c1ccc(Br)cc1)[C@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174364 KK Annotated Mild O=C1/C(=C/c2ccccc2Cl)CN2C[C@]13[C@@H](c1ccccc1Cl)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174430 KK Annotated Mild O=C1/C(=C/c2ccccc2Cl)CN2C[C@@]13[C@@H](c1ccccc1Cl)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174431 KK Annotated Mild CN1CCN(CCNC(=O)c2ccc(C(=O)/C(=C\c3ccc(F)c([N+](=O)[O-])c3)SCc3ccc(Br)cc3)cc2)CC1 ZINC000072174749 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(I)cc1)c1ccc(Br)cc1 ZINC000072174796 KK Annotated Mild O=C(/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(I)cc1)c1ccc(I)cc1 ZINC000072174797 KK Annotated Mild O=C1/C(=C/c2cccc3ccccc23)CN2C[C@]13[C@@H](c1cccc4ccccc14)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174800 KK Annotated Mild O=C1/C(=C/c2cccc3ccccc23)CN2C[C@@]13[C@@H](c1cccc4ccccc14)[C@@H]1CCCN1[C@]31C(=O)c3ccccc3[C@]21O ZINC000072174801 KK Annotated Mild C#CCn1cc(C2(c3cn(CC#C)c4ccccc34)C(=O)N(Cc3ccccc3)c3ccccc32)c2ccccc21 ZINC000072175063 KK Annotated Mild C=CCn1cc(C2(c3cn(CC=C)c4ccc(OC)cc34)C(=O)Nc3ccc(Cl)cc32)c2cc(OC)ccc21 ZINC000072175115 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@H](O)[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000072175180 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](O)[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000072175181 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@@H](O)[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000072175182 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@@H](O)[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)C[C@@H]2O)c1 ZINC000072175183 KK Annotated Mild Ic1ccc(/C=C/c2ccc(-c3ccc(I)s3)s2)cc1 ZINC000072175226 KK Annotated Anodyne CCCCc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3csc4ccccc34)C(=O)NO)s2)cc1 ZINC000072175311 KK Annotated Mild CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)ccc2C[C@H]1O ZINC000072175635 KK Annotated Anodyne CC1(C)Oc2cc(OC(=O)c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)ccc2C[C@@H]1O ZINC000072175636 KK Annotated Anodyne C=CCn1cc(C2(c3cn(CC=C)c4ccc(OC)cc34)C(=O)Nc3ccccc32)c2cc(OC)ccc21 ZINC000072175683 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@H](O)C[C@@H]2O)c1 ZINC000072175691 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@H](O)C[C@@H]2O)c1 ZINC000072175692 KK Annotated Mild C#Cc1cccc(N[C@@H]2C[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@H](O)C[C@@H]2O)c1 ZINC000072175693 KK Annotated Mild C#Cc1cccc(N[C@H]2C[C@@H](Nc3cccc(-c4cn([C@H](CNCc5cccc(Br)c5)Cc5ccccc5)nn4)c3)[C@H](O)C[C@@H]2O)c1 ZINC000072175694 KK Annotated Mild O=C(c1cccc(F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072175766 KK Annotated Reactive O=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072175767 KK Annotated Reactive CCCCCCCCCCn1cc(Cn2c(C)nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2=O)nn1 ZINC000072175778 KK Annotated Mild O=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccccc1Cl ZINC000072175784 KK Annotated Clean C=CCn1cc(C2(c3cn(CC=C)c4ccc(OC)cc34)C(=O)Nc3ccc(Br)cc32)c2cc(OC)ccc21 ZINC000072175798 KK Annotated Mild COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072175821 KK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072175822 KK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000072175823 KK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(Br)cc3)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000072175824 KK Annotated Anodyne CCCCCCCCCCn1cc(Cn2c(CC)nc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2=O)nn1 ZINC000072175837 KK Annotated Mild O=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1 ZINC000072175902 KK Annotated Clean CC(=O)N(CCOc1ccccc1)[C@H]1CC(=O)[C@@H](OC(=O)CCC(=O)OC(C)(C)C)CCCCCCCCC[C@@H](C)OC1=O ZINC000072175907 KK Annotated Anodyne CC(=O)N(CCOc1ccccc1)[C@@H]1CC(=O)[C@@H](OC(=O)CCC(=O)OC(C)(C)C)CCCCCCCCC[C@@H](C)OC1=O ZINC000072175908 KK Annotated Anodyne CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C(C)(C)NC(=O)c1cccc(C)c1 ZINC000072175990 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072176048 KK Annotated Reactive O=C(c1ccc(C(F)(F)F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072176049 KK Annotated Reactive C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@H](c2c(Cl)cccc2Cl)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176138 KK Annotated Mild C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]23C[C@@H](c2c(Cl)cccc2Cl)N(c2ccccc2)O3)[C@]2(C)C(=O)C=C[C@@]12O ZINC000072176139 KK Annotated Mild O=C(Nc1ccc(-n2ccc3c(NC(=O)c4ccccc4)nccc32)cc1)Nc1cccc(Cl)c1Cl ZINC000072176143 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000072176260 KK Annotated Anodyne in-man endogenous C#CCN1C(=O)C(c2cn(CC=C(C)C)c3ccc(Br)cc23)(c2cn(CC=C(C)C)c3ccc(Br)cc23)c2ccccc21 ZINC000072176340 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]1(c2cccc(O)c2O)Oc2cc(O)cc(O)c2C(=O)[C@@H]1O ZINC000072176396 KK Annotated Clean CC(C)=CCn1cc(C2(c3cn(CC=C(C)C)c4ccc(Br)cc34)C(=O)Nc3ccccc32)c2cc(Br)ccc21 ZINC000072176412 KK Annotated Anodyne O=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccccc1Br ZINC000072176458 KK Annotated Clean O=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccc(Br)cc1 ZINC000072176459 KK Annotated Clean C=CCn1cc(C2(c3cn(CC=C)c4ccc(OC)cc34)C(=O)N(CC(=O)OCC)c3ccccc32)c2cc(OC)ccc21 ZINC000072176656 KK Annotated Mild O=C1Nc2ccccc2C1(c1cn(C/C=C/c2ccccc2)c2ccccc12)c1cn(C/C=C/c2ccccc2)c2ccccc12 ZINC000072176657 KK Annotated Anodyne Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(F)cc1Oc1ccc2cc(C#N)ccc2c1Br ZINC000072176796 KK Annotated Mild Cc1cc(S(N)(=O)=O)ccc1NC(=O)COc1ccc(F)cc1Oc1ccc2cc(C#N)ccc2c1Cl ZINC000072176797 KK Annotated Mild C/C(=C\CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000072177161 KK Annotated Mild C/C(=C\CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000072177162 KK Annotated Mild C/C(=C\CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000072177163 KK Annotated Mild C/C(=C\CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000072177164 KK Annotated Mild Cc1cc(-c2ccc(Br)cc2)n2nc(-n3nc(C)cc3-c3ccc(Br)cc3)cc2n1 ZINC000072177297 KK Annotated Anodyne O=C(c1cccc(C(F)(F)F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072177299 KK Annotated Reactive O=C(c1ccccc1C(F)(F)F)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000072177340 KK Annotated Reactive O=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000072177427 KK Annotated Reactive COc1ccc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000072177490 KK Annotated Reactive O=C(c1ccccc1C(F)(F)F)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072177550 KK Annotated Reactive COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072177608 KK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccccc3Cl)[C@@H]1C2 ZINC000072177609 KK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@H](c3ccccc3Cl)[C@H]1C2 ZINC000072177610 KK Annotated Anodyne COc1cc2c(cc1OC)C1=NN(C(=O)Nc3ccc(F)c(Cl)c3)[C@@H](c3ccccc3Cl)[C@H]1C2 ZINC000072177611 KK Annotated Anodyne C=C(CC[C@H](OS(=O)(=O)O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 ZINC000072177676 KK Annotated Reactive CCOC(=O)CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072177739 KK Annotated Reactive O=[P@]1(C(/C=C/c2ccccc2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)Oc2ccccc2CN1c1ccc(F)c(Cl)c1 ZINC000072177769 KK Annotated Anodyne CS(=O)(=O)c1ccc2c(c1)CCN(CCC1CCC(/N=C(O)\C(=C/c3ccc(Cl)cc3Cl)c3ccc(-c4ccccc4)cc3)CC1)CC2 ZINC000072177798 KK Annotated Mild CCCCCCCCCCCCCCCC/C=C/[C@H](CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000072177903 KK Annotated Mild CCCCCCCCCCCCCCCC/C=C/[C@@H](CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1 ZINC000072177904 KK Annotated Mild CCCCCCCCCCn1cc(Cn2cnc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2=O)nn1 ZINC000072177986 KK Annotated Mild O=C(c1cccc(C(F)(F)F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000072178092 KK Annotated Reactive CC(=O)Oc1ccc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC(C)=O ZINC000072178123 KK Annotated Reactive O=C(c1ccc(C(F)(F)F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000072178200 KK Annotated Reactive COc1cc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC(C)=O ZINC000072178211 KK Annotated Reactive Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2-c1c(C)c(=O)n(-c2ccccc2)n1C ZINC000072178304 KK Annotated Anodyne COc1cc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1 ZINC000072178363 KK Annotated Reactive O=C(c1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072178417 KK Annotated Reactive O=C(c1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br ZINC000072178418 KK Annotated Reactive CCO/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1-c1c(C)c(=O)n(-c2ccccc2)n1C ZINC000072178452 KK Annotated Mild Cc1cc(NC(=O)Nc2cccc(Cl)c2Cl)ccc1-n1ccc2c(NC(=O)c3ccccc3)nccc21 ZINC000072178510 KK Annotated Anodyne Cc1c(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)n(C)n(-c2ccccc2)c1=O ZINC000072178538 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072178646 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072178647 KK Annotated Mild O=C(c1ccccc1F)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072178658 KK Annotated Reactive COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072178730 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072178731 KK Annotated Mild CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000072178811 KK Annotated Clean COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072178827 KK Annotated Mild COc1cc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)ccc1OC(C)=O ZINC000072178940 KK Annotated Reactive Cc1cc(=O)oc2c3c(ccc12)S[C@@H](C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000072179215 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072179305 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H](CC=C(C)C)c2cc(OC)c3c(c2OC)C(=O)C=CC3=O)cc1OC ZINC000072179394 KK Annotated Mild CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c3c(c21)Oc1c([C@H]2O[C@H](C)[C@@H](C)c4c(C)c(O)cc(O)c42)c(O)c(C)c2c1[C@H]3O[C@H](C)[C@H]2C ZINC000072179467 KK 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)c([C@H]4O[C@H](C)[C@@H](C)c5c(C)c(O)cc(O)c54)c(c21)O3 ZINC000072179468 KK 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)c([C@H]4O[C@H](C)[C@@H](C)c5c(C)c(O)cc(O)c54)c(c21)O3 ZINC000072179469 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@](C)([C@@H](O)CC[C@@H](CO)C2=CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 ZINC000072179649 KK Annotated Reactive CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1ccc(S(N)(=O)=O)cc1 ZINC000072179758 KK Annotated Clean CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1c1cccc(S(N)(=O)=O)c1 ZINC000072179759 KK Annotated Clean O=C(c1ccccc1C(F)(F)F)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000072179801 KK Annotated Reactive COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1OCCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072179884 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)CCc2csc(SC)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072179926 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1OCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072180017 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2c[nH]c(=S)[nH]2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072180056 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)CCc2c[nH]c(=S)[nH]2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072180057 KK Annotated Anodyne CCC[C@@](C)(c1ccc(OC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000072180058 KK Annotated Bother CCC[C@](C)(c1ccc(OC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000072180059 KK Annotated Bother COc1cc(/C=C/C(=O)c2cc(Cl)ccc2O)ccc1OCCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072180136 KK Annotated Mild Oc1c(Br)cc(Br)cc1/C=N/c1ccccc1NC(=S)Nc1ccccc1 ZINC000072180139 KK Annotated Mild O=[N+]([O-])c1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 ZINC000072180302 KK Annotated Bother O=S(=O)(/C=C/c1cccc(F)c1)Nc1cccc(OCc2cn(Cc3cc4ccccc4s3)nn2)c1 ZINC000072180395 KK Annotated Anodyne COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)c(=O)oc12 ZINC000072180490 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CN6CCCCC6)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000072180542 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)CCc2csc(N)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072180581 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(S)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072180582 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072180595 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCCCCCCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072180621 KK Annotated Anodyne Nc1cccc(/C=C/S(=O)(=O)Nc2cccc(OCc3cn(Cc4cc5ccccc5s4)nn3)c2)c1 ZINC000072180638 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CC(C)(C)C(=O)O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000072180649 KK Annotated Anodyne Cc1cc(=O)oc2c3c(ccc12)S[C@H](C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C ZINC000072180676 KK Annotated Anodyne O=C(CNc1ccc(S(=O)(=O)N2CCCCC2)cc1)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccccc1 ZINC000072180685 KK Annotated Anodyne COc1cc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000072180704 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)c6cc(O)c(O)c(O)c6)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000072180762 KK Annotated Clean CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CN)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000072180778 KK Annotated Anodyne O=S(=O)(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(-c2nnn(Cc3cccc(Cl)c3)n2)c1 ZINC000072180779 KK Annotated Anodyne O=S(=O)(/C=C/c1cccc(Br)c1)Nc1cccc(-c2nnn(Cc3cccc(Cl)c3)n2)c1 ZINC000072180780 KK Annotated Anodyne CC[C@@H](C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000072180806 KK Annotated Anodyne CSCC[C@H](NC(=O)c1ccc(NC(=O)CCc2csc(SC)n2)cc1-c1ccccc1C)C(=O)O ZINC000072180809 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072180827 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CC(C)(C)C(=O)O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000072180900 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CC/C=C\CCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072180991 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCCCCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072180997 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000072181110 KK Annotated Anodyne COc1c(CN(Cc2ccccc2)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc2c1OC(C)(C)C=C2 ZINC000072181246 KK Annotated Anodyne O=P(Oc1ccccc1)(Oc1ccccc1)C(Nc1ccc(F)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072181325 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45O[C@]4(CC[C@@H]4C(C)(C)[C@H](OC(=O)CC(C)(C)C(=O)O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000072181384 KK Annotated Anodyne CN(C)CCN(C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181402 KK Annotated Mild CN(C)CCN(C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181403 KK Annotated Mild CN(C)CCN(C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181404 KK Annotated Mild O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1[C@H]1CCCC[C@@H]1OP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000072181413 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccccc2O)ccc1OCCCn1cc(COc2cc3c(cc2OC)C(=O)N2CCC[C@H]2C=N3)nn1 ZINC000072181500 KK Annotated Mild O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000072181537 KK Annotated Anodyne CN(CCN(C)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181653 KK Annotated Mild COc1cc2c(cc1OCc1ccccc1)N=C[C@@H]1C[C@H](n3cc(COc4ccc(/C=C/C(=O)c5ccccc5O)cc4OC)nn3)CN1C2=O ZINC000072181750 KK Annotated Mild CNCCN(C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181772 KK Annotated Mild CNCCN(C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181773 KK Annotated Mild CNCCN(C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 ZINC000072181774 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)Cc2csc(SC)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072181775 KK Annotated Anodyne O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCCCCCOP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl ZINC000072181783 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1OC ZINC000072181856 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1OC ZINC000072181857 KK Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1OC ZINC000072181858 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2c(C)cccc2C)cc1OC ZINC000072181859 KK Annotated Anodyne CN(CCNC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1ccc(C(F)(F)F)c2nc(C(F)(F)F)ccc12 ZINC000072181913 KK Annotated Mild CN(CCNC[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C[C@H](O)c1ccc(C(F)(F)F)c2nc(C(F)(F)F)ccc12 ZINC000072181914 KK Annotated Mild CSCC[C@H](NC(=O)c1ccc(NC(=O)CCc2csc(S)n2)cc1-c1ccccc1C)C(=O)OC(C)C ZINC000072182093 KK Annotated Anodyne Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1CN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182177 KK Annotated Anodyne Cc1nn(Cc2ccccc2C(F)(F)F)c(C)c1CN(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000072182178 KK Annotated Anodyne c1cc2[nH]c(CCCCCc3nc4ccc(C5=N[C@H]6CCCC[C@@H]6N5)cc4[nH]3)nc2cc1C1=N[C@H]2CCCC[C@@H]2N1 ZINC000072182336 KK Annotated Anodyne O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cccc(Cl)c3)nn2)c1 ZINC000072182523 KK Annotated Anodyne CCCCCC(=O)NCCCCCCN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1cc(C)ccc1C)S(C)(=O)=O ZINC000072182777 KK Annotated Anodyne O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3cc4ccccc4[nH]3)nn2)c1 ZINC000072182787 KK Annotated Anodyne O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3nc4ccccc4s3)nn2)c1 ZINC000072182788 KK Annotated Anodyne O=[N+]([O-])c1ncc(NC(P(=O)(Oc2ccccc2)Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)s1 ZINC000072182898 KK Annotated Bother O=P(Oc1ccccc1)(Oc1ccccc1)C(Nc1cccc2ncsc12)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072182899 KK Annotated Anodyne Cc1c(OCCCN(C)C)ccc2cc(NC(=O)C/C=C/CC(=O)Nc3cc4ccc(OCCCN(C)C)c(C)c4oc3=O)c(=O)oc12 ZINC000072183013 KK Annotated Anodyne CCCCCCN(c1ccc(NC(=O)C2CCCCC2)cc1OCc1cc(C)ccc1C)S(C)(=O)=O ZINC000072183028 KK Annotated Anodyne Cc1ncc(NC(P(=O)(Oc2ccccc2)Oc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)s1 ZINC000072183036 KK Annotated Anodyne CC(C)(C)c1ccc(COc2cc(-c3ccc(C(=O)N4CCC[C@@H]4CN4CCCC4)cc3)cnc2N)cc1 ZINC000072183038 KK Annotated Clean O=S(=O)(/C=C/c1cccc(Cl)c1)Nc1cccc(OCc2cn(Cc3ccsc3Br)nn2)c1 ZINC000072183059 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000072183067 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000072183068 KK Annotated Anodyne COc1ccc([C@@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000072183069 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3Cc4cc(OC)c(OC)cc4C3=NN2C(=O)Nc2ccc(C)cc2C)cc1OC ZINC000072183070 KK Annotated Anodyne O=S(=O)(/N=C(\O)c1cccc(-c2ccc(Cl)c(Cl)c2)c1)c1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 ZINC000072183173 KK Annotated Mild COc1c(O)cc(C(=O)O[C@@H]2CC[C@]3(C)[C@H]4CC[C@H]5[C@@](C)(CC[C@H]6C(C)(C)[C@@H](OC)CC[C@]56C)CC4=CC[C@H]3C2(C)C)cc1O ZINC000072183227 KK Annotated Anodyne C[C@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl ZINC000072183320 KK Annotated Anodyne C[C@@H](Oc1cc(-c2ccc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc2)cnc1N)c1c(Cl)cccc1Cl ZINC000072183321 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCN2CCCCC2)C[C@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1 ZINC000072184188 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(CCN2CCCCC2)C[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)cc1 ZINC000072184189 KK Annotated Anodyne C/C=C(\C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000072184427 KK Annotated Anodyne O=C(NC1CCN([C@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000072184767 KK Annotated Anodyne O=C(NC1CCN([C@@H](c2cncnc2)c2ccc(Cl)cc2F)CC1)c1ccc(F)cc1C(F)(F)F ZINC000072184768 KK Annotated Anodyne COc1ccc(CN[C@@H](c2nc(Cc3ccccc3)c(N3CCCCC3)o2)C2CCCCC2)cc1OC ZINC000072184952 KK Annotated Anodyne COc1ccc(CN[C@H](c2nc(Cc3ccccc3)c(N3CCCCC3)o2)C2CCCCC2)cc1OC ZINC000072184953 KK Annotated Anodyne CC1=C([C@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCCC4(C)C ZINC000072185765 KK Annotated Clean CC1=C([C@@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@H]2c3ccc4c(c3C(=O)C(=O)[C@H]12)CCCC4(C)C ZINC000072185766 KK Annotated Clean CC1=C([C@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@H]2c3ccc4c(c3C(=O)C(=O)[C@@H]12)CCCC4(C)C ZINC000072185767 KK Annotated Clean CC1=C([C@@H](c2cccc(Cl)c2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)O[C@H]2c3ccc4c(c3C(=O)C(=O)[C@@H]12)CCCC4(C)C ZINC000072185768 KK Annotated Clean O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186168 KK Annotated Anodyne O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCC(N[C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 ZINC000072186169 KK Annotated Anodyne CC1=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(CNCC(=O)OCc4ccccc4)c(O)c(C)c3O)c(C)c2O)[C@@H](C)C(=O)[C@@H]1C(=O)O ZINC000072186842 KK Annotated Clean CCCc1cc(C)c(N(CC)c2nc(C)cc(N3CC=C[C@](F)(c4ccccc4)C3)n2)c(Br)c1 ZINC000072190085 KK Annotated Anodyne in-vivo CCCc1cc(C)c(N(CC)c2nc(C)cc(N3CC=C[C@@](F)(c4ccccc4)C3)n2)c(Br)c1 ZINC000072190086 KK Annotated Anodyne in-vivo COC(=O)[C@]12CCC(C)(C)C[C@@]1(C)[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 ZINC000072190152 KK Annotated Reactive investigational CCOC(=O)/N=C\Nc1ccc(OCc2cccc(COc3ccc(C(C)(C)c4ccc(O)cc4)cc3)c2)cc1 ZINC000072190230 KK Annotated Mild investigational CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H]([C@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC ZINC000072209394 KK Annotated Reactive in-man CCCCCCCCCCCCCCCC[N+](C)(CCCN1[C@@H](C)CC[C@@H]1C)CCCN1[C@@H](C)CC[C@H]1C ZINC000072266809 KK Annotated Mild in-man CCCCCCCCCCCCCCCC[N+](C)(CCCN1[C@@H](C)CC[C@H]1C)CCCN1[C@H](C)CC[C@H]1C ZINC000072266810 KK Annotated Mild in-man C/C(=C\Cc1c(C)c(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000072266936 KK Annotated Anodyne in-man C/C(=C\Cc1c(C)c(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000072266937 KK Annotated Anodyne in-man C/C(=C\Cc1c(C)c(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000072266938 KK Annotated Anodyne in-man C/C=C1\CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cc4[nH]c5c(c4cc3OC)CCN3C[C@@H]4C[C@H](CC)[C@H]3[C@@]5(C(=O)OC)C4)C[C@@H]1[C@@H]2C(=O)OC ZINC000072267020 KK Annotated Anodyne CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000072280197 KK Annotated Anodyne CCCc1ccc(S(=O)(=O)N(c2ccc3sc(C)nc3c2Cl)S(=O)(=O)c2ccc(CCC)cc2)cc1 ZINC000072283793 KK Annotated Anodyne C=C[C@H]1CN2CCc3c([nH]c4c([C@H]5CCCN5C)c(O)ccc34)[C@@H]2C[C@@H]1C[C@H]1Cc2[nH]c3ccccc3c2CN1C ZINC000072283878 KK Annotated Mild Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@@H]2C[C@@H]3C[C@H]2[C@H]2[C@@H](C(=O)O)[C@@H]32)cc1F ZINC000072284442 KK Annotated Anodyne Cc1ccc(CC(C)(C)NC[C@@H](O)CO[C@H](C)c2ccccc2[C@H]2C[C@@H]3C[C@H]2[C@H]2[C@@H](C(=O)O)[C@@H]32)cc1F ZINC000072284445 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CN(C[C@@H](CN3CCOCC3)OC(=O)CCC3CCCC3)C(=O)O5)[C@@H]1CCC2=O ZINC000072284450 KK Annotated Anodyne C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@]5(CC[C@@]43C)CN(C[C@H](CN3CCOCC3)OC(=O)CCC3CCCC3)C(=O)O5)[C@@H]1CCC2=O ZINC000072284453 KK Annotated Anodyne CCCCCCCCCCCCCCCC[C@]1(C)CCc2c(COC3=C(O)C(=O)O[C@@H]3[C@H](O)CO)c(O)c(C)c(C)c2O1 ZINC000072284492 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)CCc2c(COC3=C(O)C(=O)O[C@@H]3[C@H](O)CO)c(O)c(C)c(C)c2O1 ZINC000072284493 KK Annotated Mild CCCCCCCCCCCCCCCC[C@]1(C)CCc2c(COC3=C(O)C(=O)O[C@H]3[C@H](O)CO)c(O)c(C)c(C)c2O1 ZINC000072284494 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C)CCc2c(COC3=C(O)C(=O)O[C@H]3[C@H](O)CO)c(O)c(C)c(C)c2O1 ZINC000072284495 KK Annotated Mild COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)cc1)C(=O)C2 ZINC000072314933 KK Annotated Anodyne in-vitro Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1 ZINC000072315495 KK Annotated Anodyne CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(-c5ccc(C)nc5)ccn34)c12 ZINC000072315535 KK Annotated Anodyne CCc1nn(Cc2ccccc2)c2ccc(Cl)c(NC(=O)c3cnc4cc(OCCOC)ccn34)c12 ZINC000072315538 KK Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3cc(CC(=O)O)cn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000072316225 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@@H](NC(=O)/C=C/c1cc(Cl)ccc1C(C)=O)c1nc-2c[nH]1 ZINC000072316249 KK Annotated Anodyne COC(=O)Nc1ccc2c(c1)NC(=O)CCc1nc(ccc1F)C[C@H](NC(=O)/C=C/c1cc(Cl)ccc1C(C)=O)c1nc-2c[nH]1 ZINC000072316250 KK Annotated Anodyne CCCn1cc(-c2cc([C@@H]3C(=O)N(CC)c4ccc(C(F)(F)F)cc4N(c4ccccc4)C3=O)cc(OC)c2O)cn1 ZINC000072316333 KK Annotated Anodyne CCCn1cc(-c2cc([C@H]3C(=O)N(CC)c4ccc(C(F)(F)F)cc4N(c4ccccc4)C3=O)cc(OC)c2O)cn1 ZINC000072316334 KK Annotated Anodyne O=C(O)CN(C1(c2cccc(-c3cc(Cl)cc(Cl)c3)c2)CCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000072316385 KK Annotated Anodyne O=C(c1cnc2c(S(=O)(=O)/N=C(\O)C3CC3)cnn2c1Nc1ccccc1Cl)N1CCC(c2ccccc2)CC1 ZINC000072316548 KK Annotated Anodyne CC/C(O)=N/S(=O)(=O)c1cnn2c(Nc3cc(Cl)ccc3Cl)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12 ZINC000072316550 KK Annotated Anodyne CC/C(O)=N/S(=O)(=O)c1cnn2c(Nc3cc(C)c(F)cc3Cl)c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc12 ZINC000072316551 KK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2c1-c1ccccc1I ZINC000072316648 KK Annotated Mild COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CCC(OC)CC1 ZINC000072316843 KK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1 ZINC000072316844 KK Annotated Bother CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(C)=O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000072317108 KK Annotated Anodyne CCN1CCO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(C)=O)C(C)(C)O)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)C1 ZINC000072317111 KK Annotated Anodyne CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCC(C(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 ZINC000072317181 KK Annotated Mild C[C@@H]1c2nnc(-c3csc(-c4ccc(F)cc4F)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1 ZINC000072317372 KK Annotated Anodyne C[C@@H](Nc1nc(NC2(C(F)(F)F)CC2)c2nc(-c3cccc(S(C)(=O)=O)c3)ccc2n1)c1ccc(-n2cncn2)cc1 ZINC000072317472 KK Annotated Anodyne CC(=O)Nc1cc(COc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1 ZINC000072317521 KK Annotated Anodyne C[C@H](O)C(=O)N(C[C@@H]1CNC[C@@H]1F)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000072317540 KK Annotated Anodyne C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(-c2cc(F)ccc2F)sc1Cc1ccccc1)C(C)(C)C ZINC000072317541 KK Annotated Anodyne C[C@H](O)C(=O)N(CC[C@H](N)CF)[C@@H](c1nc(-c2cc(F)ccc2F)oc1Cc1ccccc1)C(C)(C)C ZINC000072317542 KK Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@H](c1cc(Cl)cc(Cl)c1)c1cccnc12 ZINC000072317817 KK Annotated Anodyne O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@@H](c1cc(Cl)cc(Cl)c1)c1cccnc12 ZINC000072317818 KK Annotated Anodyne O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O ZINC000072318109 KK Annotated Reactive CN(C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O ZINC000072318122 KK Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@H](C2CCN(C(=O)OC4CCCCC4)CC2)O3)CC1 ZINC000072318314 KK Annotated Anodyne CCCS(=O)(=O)N1CC=C(c2ccc3c(c2)C[C@@H](C2CCN(C(=O)OC4CCCCC4)CC2)O3)CC1 ZINC000072318315 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Oc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000072318673 KK Annotated Anodyne CN1C(=O)c2c(nn(Cc3ccc(-c4cccc(F)n4)cc3)c2Oc2ccc(F)cc2)N2C1=N[C@@H]1CCC[C@@H]12 ZINC000072318674 KK Annotated Anodyne COc1ncc(-c2ccc3c(Nc4cc(C(=O)O)cc([C@@H](C)C(C)C)c4)c(C(N)=O)cnc3c2)c(OC)n1 ZINC000072319549 KK Annotated Anodyne C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N/O[C@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000073048466 KK Annotated Mild COC(=O)[C@]1(C/C=C\c2ccccc2)C=C[C@@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000073062205 KK Annotated Anodyne COC(=O)[C@]1(C/C=C\c2ccccc2)C=C[C@H](C)[C@@H](c2ccccc2Br)N1C(=O)C(F)(F)F ZINC000073062209 KK Annotated Anodyne COCOc1c2c(c(OCOC)c3c(OCOC)cccc13)/C(=N\NS(=O)(=O)c1ccc(C)cc1)C1=C2CCCC1 ZINC000073062336 KK Annotated Mild COC(=O)[C@H]1CC[C@@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000073064133 KK Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C(/C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000073072914 KK Annotated Mild CCC/C=C\c1ccc(CN2[C@H](CC(C)C)C(=O)N(Cc3cn(CC4CCCCC4)nn3)CCS2(=O)=O)cc1 ZINC000073129245 KK Annotated Anodyne COc1ccc(-c2ncn(C)c2-c2cc(I)c(OC)c(I)c2)cc1F ZINC000073129616 KK Annotated Anodyne Cc1cc(F)ccc1-c1cc([C@@H]2CNC(=O)[C@@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138550 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@H]2CNC(=O)[C@@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138552 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@@H]2CNC(=O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138553 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@H]2CNC(=O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138555 KK Annotated Mild O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(F)c2)c2cccc(F)c12)C1CC1 ZINC000073138644 KK Annotated Anodyne Cc1cc(F)ccc1-c1cc([C@@H]2CC(=O)N[C@@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138982 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@H]2CC(=O)N[C@@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138986 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@@H]2CC(=O)N[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138991 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@H]2CC(=O)N[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073138994 KK Annotated Mild CC(C)(C)OC(=O)n1cc(CCC(=O)Nc2cc(C(=O)N[C@H](C#N)CCCCN)ccc2OCc2ccncc2)c2ccccc21 ZINC000073139417 KK Annotated Mild CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@@H]2O)C1(C)C ZINC000073139983 KK Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000073139985 KK Annotated Anodyne O=c1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1 ZINC000073140129 KK Annotated Mild N#C[C@H](CCCCN)NC(=O)c1ccc(OCc2ccncc2)c(NC(=O)CCc2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000073140244 KK Annotated Mild COc1ccc(C(=O)N[C@H](C#N)CCCCN)cc1NC(=O)CCc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000073140246 KK Annotated Mild O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccccc2)c2cccc(F)c12)C1CC1 ZINC000073140366 KK Annotated Anodyne O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2cccc(OC(F)F)c2)c2cccc(F)c12)C1CC1 ZINC000073140372 KK Annotated Anodyne O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(OC(F)F)cc2)c2cccc(F)c12)C1CC1 ZINC000073140377 KK Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@@H]2O)C1(C)C ZINC000073140386 KK Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000073140388 KK Annotated Anodyne O=C1C(SCCCCCCCCCO)=C(SCCCCCCCCCO)C(=O)c2ccccc21 ZINC000073140481 KK Annotated Mild O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073140608 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000073140610 KK Annotated Anodyne COc1ccc(S(=O)(=O)/N=C(\O)c2sccc2SCc2ccc(Cl)c(Cl)c2)cc1C(=O)O ZINC000073140965 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@@H]2CN(C)C(=O)[C@@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073141571 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@H]2CN(C)C(=O)[C@@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073141575 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@@H]2CN(C)C(=O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073141578 KK Annotated Mild Cc1cc(F)ccc1-c1cc([C@H]2CN(C)C(=O)[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073141581 KK Annotated Mild O=C1C2=C(SCCSCCSC3=C(SCCSCCS2)C(=O)c2ccccc2C3=O)C(=O)c2ccccc21 ZINC000073141681 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3CC(=O)c4ccccc4N3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000073142108 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3CC(=O)c4ccccc4N3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1 ZINC000073142111 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](OS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000073142208 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](OS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000073142211 KK Annotated Mild CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)cc(F)c3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000073156051 KK Annotated Anodyne COc1cc(C(=O)O)cc(NC(=O)c2nc3c(s2)CN(C(C)C)CC3)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000073156056 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@H](OS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000073156306 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@@H](OS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000073156313 KK Annotated Mild C=C(C)CC(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 ZINC000073156986 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3c(OC)cccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073157364 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3c(cccc3[N+](=O)[O-])C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073157367 KK Annotated Mild C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC ZINC000073157375 KK Annotated Anodyne CNC(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F ZINC000073157479 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F ZINC000073157488 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCC4)c(F)c3)ccc21 ZINC000073157799 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)c(F)c3)ccc21 ZINC000073157801 KK Annotated Anodyne Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@H]3CCC[C@@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000073157899 KK Annotated Mild Clc1ccc([C@H]2N[C@@H](c3ccc(Cl)cc3)[C@@H]3CCC[C@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000073157902 KK Annotated Mild CCN1C(=O)c2nc(-c3ccc(-c4ccc(OC)cc4)nc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C)N=C12 ZINC000073158208 KK Annotated Anodyne C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 ZINC000073158261 KK Annotated Mild N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2c1 ZINC000073158390 KK Annotated Mild C[C@H](C(=O)O)[C@]1(C(=O)C[C@@H](C)[C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC4)CO1 ZINC000073158527 KK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)NC(C)(C)C)[C@H]12 ZINC000073158715 KK Annotated Reactive CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073158800 KK Annotated Anodyne CCN1C(=O)c2nc(-c3ccc(-c4ccccc4OC)nc3)n(Cc3ccc(F)c(F)c3)c2N2CC(C)(C)N=C12 ZINC000073158959 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCC(F)(F)C4)c(Cl)c3)ccc21 ZINC000073159133 KK Annotated Anodyne COc1cc(N(Cc2ccccc2)c2nc(C)c(Cc3ccc(Cl)cc3)s2)ccc1-n1cnc(C)c1 ZINC000073159172 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@H](OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000073159279 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@@H](OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000073159284 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@H](OS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000073159287 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@@H](OS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000073159292 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](OS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000073159293 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](OS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000073159297 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000073159299 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](OS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000073159302 KK Annotated Mild CC(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000073159753 KK Annotated Anodyne COc1ccc(OC)c(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)c1 ZINC000073159760 KK Annotated Mild O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1 ZINC000073159868 KK Annotated Anodyne CN(C)[C@@H]1CCN(C(=O)[C@@H](COCc2ccccc2)NC(=O)c2cccnc2Oc2ccc(C(F)(F)F)cc2Cl)C1 ZINC000073159985 KK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)NCCCC)[C@H]12 ZINC000073160126 KK Annotated Reactive C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)/C1=C/CC1=C(C)CC[C@@]2(C(=O)OC)CCC(C)(C)C[C@@H]12 ZINC000073160193 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@H](OS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000073160512 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(Cl)c(Cl)c1)C[C@@H](OS(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000073160515 KK Annotated Mild Cc1cc(N2C(=O)CS[C@H]2c2c(Br)cncc2Br)nc(C)c1Br ZINC000073160595 KK Annotated Anodyne Cc1cc(N2C(=O)CS[C@@H]2c2c(Br)cncc2Br)nc(C)c1Br ZINC000073160598 KK Annotated Anodyne CC1=CC(C)(C)N(CC#Cc2ccc([N+](=O)[O-])cc2)c2cc(Oc3ccccc3)c(NS(C)(=O)=O)cc21 ZINC000073160921 KK Annotated Mild CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@]45OC(=O)[C@@]6(CCC(C)(C)C[C@H]64)CC[C@@]5(C)[C@]3(C)CC[C@H]2C1(C)C ZINC000073160994 KK Annotated Mild CN1C(C)(C)CC(Nc2cc(-c3ccccc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1(C)C ZINC000073161724 KK Annotated Anodyne [O-][n+]1ccc2c(-c3ccccc3Cl)cc(OC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl ZINC000073161727 KK Annotated Anodyne [O-][n+]1ccc2c(-c3ccc(F)cc3Cl)cc(C3CCNCC3)nc2c1-c1c(Cl)cccc1Cl ZINC000073162324 KK Annotated Anodyne Cc1noc(NC(=O)N2CCC3(CC2)C[C@H](c2cccc(Oc4ccc(C(F)(F)F)cn4)c2)CO3)c1C ZINC000073162831 KK Annotated Anodyne Cc1noc(NC(=O)N2CCC3(CC2)C[C@@H](c2cccc(Oc4ccc(C(F)(F)F)cn4)c2)CO3)c1C ZINC000073162834 KK Annotated Anodyne c1ccc(-c2cs/c(=N\N=C3[C@H]4CCC[C@@H]3[C@H](c3ccccc3)N[C@@H]4c3ccccc3)n2-c2ccccc2)cc1 ZINC000073162860 KK Annotated Mild c1ccc(-c2cs/c(=N\N=C3[C@H]4CCC[C@@H]3[C@@H](c3ccccc3)N[C@H]4c3ccccc3)n2-c2ccccc2)cc1 ZINC000073162862 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@H]3CCC[C@@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000073162866 KK Annotated Mild Fc1ccc([C@H]2N[C@@H](c3ccc(F)cc3)[C@@H]3CCC[C@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000073162869 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@H]3CCC[C@@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000073162871 KK Annotated Mild Fc1cccc([C@H]2N[C@@H](c3cccc(F)c3)[C@@H]3CCC[C@H]2C3=N/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c1 ZINC000073162875 KK Annotated Mild CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCOCC4)c(F)c3)ccc21 ZINC000073162878 KK Annotated Anodyne C=CCc1cc(/N=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000073162896 KK Annotated Mild COc1ccc(-c2c(OS(=O)(=O)c3ccc(C)cc3)c3cc(C#N)ccn3c2-c2ccc(OC)cc2)cc1 ZINC000073163139 KK Annotated Mild Cn1c(SCC(=O)[C@@]2(OC(=O)c3ccco3)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)nc2ccccc21 ZINC000073163478 KK Annotated Mild CCN(C(=O)c1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(-c2cnco2)cc1)C1CCCCC1 ZINC000073163573 KK Annotated Anodyne CN1CCC(c2cc(-c3ccc(F)cc3Cl)c3cc[n+]([O-])c(-c4c(Cl)cccc4Cl)c3n2)CC1 ZINC000073163664 KK Annotated Anodyne O=C(CBr)Nc1cccc(CN2C(=O)CN(c3ccc(OC(F)(F)F)cc3)C(=O)c3sccc32)c1 ZINC000073164174 KK Annotated Reactive COc1cccc(Oc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)c1 ZINC000073164788 KK Annotated Anodyne NC(=O)[C@@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000073165116 KK Annotated Anodyne NC(=O)[C@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000073165119 KK Annotated Anodyne CC(C)N1CCc2nc(C(=O)Nc3c(CCC(=O)Nc4ccc(Cl)cc4)cccc3C(=O)O)sc2C1 ZINC000073165162 KK Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O ZINC000073165192 KK Annotated Anodyne Cc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 ZINC000073165294 KK Annotated Clean Cc1nn2c(SCC(=O)Nc3ccc(C4C5CC6CC(C5)CC4C6)cc3)nc3ccccc3c2nc1=O ZINC000073165511 KK Annotated Bother CC(C)c1cc(C(C)C)c(S(=O)(=O)O[C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)c(C(C)C)c1 ZINC000073165581 KK Annotated Mild CC(C)c1cc(C(C)C)c(S(=O)(=O)O[C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)c2ccccc2)c(C(C)C)c1 ZINC000073165583 KK Annotated Mild CS(=O)(=O)c1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)cc1 ZINC000073166092 KK Annotated Mild CC(C)Oc1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1F ZINC000073166264 KK Annotated Anodyne NC(=O)[C@@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC000073166307 KK Annotated Anodyne NC(=O)[C@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 ZINC000073166310 KK Annotated Anodyne CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)ccc3CCC(=O)Nc3ccc(Br)cc3)sc2C1 ZINC000073166338 KK Annotated Anodyne CC(C)N1CCc2nc(C(=O)Nc3cc(C(=O)O)cc(C(F)(F)F)c3CCC(=O)Nc3ccc(Cl)cc3)sc2C1 ZINC000073166342 KK Annotated Anodyne COc1ccc([C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)OS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000073166379 KK Annotated Mild COc1ccc([C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)OS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000073166382 KK Annotated Mild Cc1ccc([C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)OS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000073166387 KK Annotated Mild Cc1ccc([C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)OS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000073166390 KK Annotated Mild Cc1ccc([C@@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)OS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000073166393 KK Annotated Mild Cc1ccc([C@H](CN(Cc2ccccc2)C(=O)OC(C)(C)C)OS(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000073166396 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2o1 ZINC000073166932 KK Annotated Mild O=C(N[C@H](COCc1ccccc1)C(=O)N[C@@H]1CN2CCC1CC2)c1cccnc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000073166941 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)N[C@H]1CN2CCC1CC2)c1cccnc1Oc1ccc(C(F)(F)F)cc1Cl ZINC000073166945 KK Annotated Anodyne CC1=CC(C)(C)N(CC#Cc2ccccc2[N+](=O)[O-])c2cc(Oc3ccccc3)c(NS(C)(=O)=O)cc21 ZINC000073167090 KK Annotated Mild COc1cccc(Oc2ccc3cc(NC(=O)c4ccc(OC)c(-c5cccc(OC)c5)c4)c(=O)oc3c2C)c1 ZINC000073167440 KK Annotated Anodyne COc1ccc(Nc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1 ZINC000073167448 KK Annotated Anodyne COCOc1ccc(Cc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1 ZINC000073167520 KK Annotated Anodyne CCOc1cc(C(=O)O)cc(NC(=O)c2nc3c(s2)CN(C(C)C)CC3)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000073167575 KK Annotated Anodyne CC(C)Oc1cc(C(=O)O)cc(NC(=O)c2nc3c(s2)CN(C(C)C)CC3)c1CCC(=O)Nc1ccc(Cl)cc1 ZINC000073167578 KK Annotated Anodyne CC1=CC(C)(C)N(CC#Cc2cccc([N+](=O)[O-])c2)c2cc(Oc3ccccc3)c(NS(C)(=O)=O)cc21 ZINC000073167967 KK Annotated Mild CC1=CC(C)(C)N(CC#Cc2ccccc2Cl)c2cc(Oc3ccccc3)c(NS(C)(=O)=O)cc21 ZINC000073167970 KK Annotated Mild COC(=O)c1ccccc1C#CCN1c2cc(Oc3ccccc3)c(NS(C)(=O)=O)cc2C(C)=CC1(C)C ZINC000073167976 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 ZINC000073168028 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nccc2ccccc12 ZINC000073168287 KK Annotated Mild CCCCCCCCCCCCCCCCCCSc1cccc([C@@]2(O)NC(=O)c3cnccc32)c1 ZINC000073168627 KK Annotated Mild CCCCCCCCCCCCCCCCCCSc1cccc([C@]2(O)NC(=O)c3cnccc32)c1 ZINC000073168629 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1ccc2ccccc2n1 ZINC000073168639 KK Annotated Mild C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1cnc2ccccc2n1 ZINC000073168642 KK Annotated Mild CCS(=O)(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@@H]3C(C)(C)C(=O)Nc2nncs2)cc1 ZINC000073168673 KK Annotated Anodyne COc1ccc(Cc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1 ZINC000073168691 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(Cc5ccccc5)c(C)c4oc3=O)ccc2OC)c1 ZINC000073168722 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)OCC/C(SSCc3ccccc3)=C(\C)N(C)C=O)ccc2c1 ZINC000073168734 KK Annotated Reactive C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)N3C(=O)CCC3=O)[C@H]12 ZINC000073168913 KK Annotated Reactive C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)COC(=O)c5ccccc5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000073168915 KK Annotated Mild CCCCCCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000073169014 KK Annotated Mild CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H]1[C@@H](O)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 ZINC000073169016 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=N\c5ccc(S(=O)(=O)N(CCO)c6ncccn6)cc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000073169092 KK Annotated Mild Cc1cc(NC(=O)C2CCN(CC(F)(F)F)CC2)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12 ZINC000073169237 KK Annotated Anodyne O=[N+]([O-])c1ccc(C[n+]2ccn(-c3ccc(-c4ccc(-n5cc[n+](Cc6ccc([N+](=O)[O-])cc6)c5)cc4)cc3)c2)cc1 ZINC000073169257 KK Annotated Bother Cc1cc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1cccc(-c2nnn[nH]2)c1 ZINC000073169457 KK Annotated Clean COc1ccc(S(=O)(=O)Oc2c(-c3ccccc3)c(-c3ccccc3)n3ccc(C#N)cc23)c(OC)c1 ZINC000073169773 KK Annotated Mild O=[N+]([O-])c1cccc(C(c2cc(Br)c(O)cc2O)c2cc(Br)c(O)cc2O)c1 ZINC000073169895 KK Annotated Bother O=C(NO)[C@@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073169949 KK Annotated Bother O=C(NO)[C@H](NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 ZINC000073169952 KK Annotated Bother N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OCOC(COCc3ccccc3)COCc3ccccc3)c2c1 ZINC000073170066 KK Annotated Mild CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@@H](C3)C3(OOC6(CCCCC6)O3)[C@H](C5)C4)cccc12 ZINC000073170082 KK Annotated Reactive CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@@H](C3)C3(OCC6(CCCCC6)O3)[C@H](C5)C4)cccc12 ZINC000073170084 KK Annotated Mild COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@](O)(/C=C\[C@@]13O[C@]1(C)CC[C@H]1C(C)(C)CCC[C@@]13C)[C@](C)(O)CC2 ZINC000073170092 KK Annotated Anodyne O=C(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073170150 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(Oc4ccc(C(C)(C)C)cc4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000073170155 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(Oc4ccc(C(C)(C)C)cc4)c(C)c3oc2=O)ccc1O ZINC000073170156 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCCC4)c(F)c3)ccc21 ZINC000073170171 KK Annotated Anodyne COCOc1ccc(Cc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1OC ZINC000073170176 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n3ccc(C#N)cc23)cc1 ZINC000073170192 KK Annotated Mild Cc1ccc(S(=O)(=O)Oc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n3ccc(C#N)cc23)cc1 ZINC000073170193 KK Annotated Mild O=C(NCCNc1nccc(-c2c(-c3cccc(O)c3)nc3sccn23)n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000073195594 KK Annotated Anodyne CC(C)=CC(=O)N/C=C/C(C)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1 ZINC000073195665 KK Annotated Anodyne COc1ccc(Oc2ccc3cc(NC(=O)c4ccc(OC(C)=O)c(CC=C(C)C)c4)c(=O)oc3c2C)cc1 ZINC000073195793 KK Annotated Anodyne COc1ccc(Cc2ccc3cc(NC(=O)c4ccc(OC)c(-c5cccc(OC)c5)c4)c(=O)oc3c2C)cc1 ZINC000073195883 KK Annotated Anodyne CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](OS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000073195969 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](OS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1 ZINC000073195970 KK Annotated Mild Oc1cc(O)c(C(c2cc(Br)c(O)cc2O)c2c(Cl)cccc2Cl)cc1Br ZINC000073196031 KK Annotated Anodyne O=[N+]([O-])c1ccc(C(c2cc(Br)c(O)cc2O)c2cc(Br)c(O)cc2O)cc1 ZINC000073196032 KK Annotated Bother CCc1cc(OCc2ccc([N+](=O)[O-])cc2)c(OC)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000073196057 KK Annotated Reactive C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)Oc3ccccc3)[C@H]12 ZINC000073196201 KK Annotated Reactive CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](OS(=O)(=O)c1cccc2ccccc12)c1ccccc1 ZINC000073196213 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](OS(=O)(=O)c1cccc2ccccc12)c1ccccc1 ZINC000073196214 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](OS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000073196215 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](OS(=O)(=O)c1ccccc1C(F)(F)F)c1ccccc1 ZINC000073196216 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@H](OS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000073196224 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccc(F)cc1)C[C@@H](OS(=O)(=O)c1cccc(Cl)c1Cl)c1ccccc1 ZINC000073196225 KK Annotated Mild COc1ccc(S(=O)(=O)Oc2c(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n3ccc(C#N)cc23)cc1 ZINC000073196288 KK Annotated Mild O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 ZINC000073196311 KK Annotated Bother Cc1ccc(-c2nn3c(SCC(=O)Nc4ccc(C5C6CC7CC(C6)CC5C7)cc4)nc4ccccc4c3nc2=O)cc1 ZINC000073196312 KK Annotated Bother COc1ccc(-c2nn3c(SCC(=O)Nc4ccc(C5C6CC7CC(C6)CC5C7)cc4)nc4ccccc4c3nc2=O)cc1 ZINC000073196313 KK Annotated Bother CC(C)[C@H](NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(=O)OCc1c(-c2ccccc2)no[n+]1[O-] ZINC000073196498 KK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)COC(=O)c5ccncc5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000073196505 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@H](OS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000073196553 KK Annotated Mild CC(C)(C)OC(=O)N(Cc1ccccc1)C[C@@H](OS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000073196554 KK Annotated Mild CCN(C)C(=O)c1ccc(-c2ccc3c(n2)Oc2ccccc2[C@H]3C(C)(C)C(=O)Nc2nncs2)cc1F ZINC000073196578 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H]1c2ccccc2Oc2nc(-c3ccc(C(=O)N4CCCCC4)cc3)ccc21 ZINC000073196580 KK Annotated Anodyne CCN(CC)CCCc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1Cl ZINC000073196676 KK Annotated Anodyne CC(C)C[C@H](NC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1)C(=O)OCc1c(-c2ccccc2)no[n+]1[O-] ZINC000073196806 KK Annotated Anodyne O=[N+]([O-])c1ncn(CCCN(Cc2ccc3cc(Br)ccc3n2)Cc2ccc3cc(Br)ccc3n2)n1 ZINC000073196887 KK Annotated Bother C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(OC(=O)c1ccco1)C(=O)CSc1nc2ccccc2s1 ZINC000073196932 KK Annotated Mild FC(F)(F)c1cc([C@@H]2O[C@@H](c3cccc(Cl)c3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000073196990 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3cccc(Cl)c3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000073196991 KK Annotated Anodyne O=C(Oc1ccc2c(c1)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000073197092 KK Annotated Reactive O=C(Oc1ccc2c(c1)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000073197093 KK Annotated Reactive CC(=O)O[C@@H](C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O)/C(C)=C/[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000073197101 KK Annotated Mild CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(=N\Nc1ccc(Cl)cc1)Sc1ccccc1 ZINC000073197236 KK Annotated Reactive CC(=N\NC(=O)COc1ccc2ccccc2c1)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000073197237 KK Annotated Reactive O=C(O)CCCSc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1 ZINC000073197303 KK Annotated Anodyne O=S1(=O)c2ccccc2N(c2ccccc2)c2nc(-c3cccnc3Nc3ccc(Cl)cc3Cl)nn21 ZINC000073197322 KK Annotated Anodyne O=S1(=O)c2ccccc2N(c2ccccc2)c2nc(-c3cccnc3Nc3ccc(Cl)cc3)nn21 ZINC000073197323 KK Annotated Anodyne C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)O)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000073197474 KK Annotated Anodyne COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(C5CCCCC5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073197551 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(C5CCCCC5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073197552 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(C5CCCCC5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073197553 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(C5CCCCC5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073197554 KK Annotated Mild COc1ccc2c(c1)C[C@@H]1[C@H](/C=C/c3ccc(Cl)cc3)c3cc(OC)ccc3O[C@]1(c1ccc(Cl)cc1)O2 ZINC000073197709 KK Annotated Anodyne COc1ccc2c(c1)C[C@@H]1[C@H](/C=C/c3ccc(C)cc3)c3cc(OC)ccc3O[C@]1(c1ccc(C)cc1)O2 ZINC000073197710 KK Annotated Anodyne CN1CCN(CCCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@@H](c2ccccc2)C3)CC1 ZINC000073197983 KK Annotated Anodyne CN1CCN(CCCN2CCC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000073197984 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000073198135 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@@H]2C(=O)N(c3ccc(C)cc3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000073198136 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000073198137 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@H]2C(=O)N(c3ccc(C)cc3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000073198138 KK Annotated Mild C[C@@H]1CCc2c(sc(NC(=O)Sc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)c2C#N)C1 ZINC000073198233 KK Annotated Mild C[C@H]1CCc2c(sc(NC(=O)Sc3nnc(-c4ccc(Cl)cc4)n3-c3ccccc3)c2C#N)C1 ZINC000073198234 KK Annotated Mild COc1cc(/C=C/c2cc(Br)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000073198314 KK Annotated Anodyne COCc1cc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(OC)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000073198315 KK Annotated Anodyne O=[N+]([O-])c1ccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)s1 ZINC000073198316 KK Annotated Bother O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)s1 ZINC000073198317 KK Annotated Bother COc1cc(Nc2nnc(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)s2)cc(OC)c1OC ZINC000073198406 KK Annotated Anodyne O=C(O)Cc1ccc([C@@H](C2CCCCC2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000073198414 KK Annotated Anodyne O=C(O)Cc1ccc([C@H](C2CCCCC2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000073198415 KK Annotated Anodyne O=C(O)Cc1ccc([C@@H](CC2CCCCC2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000073198416 KK Annotated Anodyne O=C(O)Cc1ccc([C@H](CC2CCCCC2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000073198417 KK Annotated Anodyne CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 ZINC000073198463 KK Annotated Anodyne COc1ccc(/C=C/[C@@H]2c3c(OC)cccc3O[C@]3(c4ccc(OC)cc4)Oc4cccc(OC)c4C[C@H]23)cc1 ZINC000073198471 KK Annotated Anodyne COc1cccc2c1C[C@@H]1[C@H](/C=C/c3ccc(C)cc3)c3c(OC)cccc3O[C@]1(c1ccc(C)cc1)O2 ZINC000073198472 KK Annotated Anodyne COc1cc(OC)c2c(c1OC)O[C@@H](c1ccccc1)[C@H]1[C@@H]2Oc2c(OC)c(OC)cc(OC)c2[C@@H]1/C=C/c1ccccc1 ZINC000073198473 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(Cl)C(=O)c4ccccc4C2=O)C3=O)O1 ZINC000073198477 KK Annotated Mild COc1cc2c(cc1OCCCCCn1c(=C(C#N)C#N)c3cccc4cccc1c43)N=C[C@@H]1CCCN1C2=O ZINC000073198585 KK Annotated Mild COc1cc2c(cc1OCCCCCCn1c(=C(C#N)C#N)c3cccc4cccc1c43)N=C[C@@H]1CCCN1C2=O ZINC000073198586 KK Annotated Mild C[C@H]1CC(=O)N(c2ccccc2C(=O)CC[C@@H]2CCCN(CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000073198748 KK Annotated Anodyne C[C@H]1CC(=O)N(c2ccccc2C(=O)CC[C@H]2CCCN(CCCCOc3ccc(C(F)(F)F)cc3)C2)C1=O ZINC000073198749 KK Annotated Anodyne O=C(Nc1ccc2c(c1)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000073198796 KK Annotated Reactive O=C(Nc1ccc2c(c1)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 ZINC000073198797 KK Annotated Reactive COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1 ZINC000073198893 KK Annotated Anodyne COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@H]2C(=O)N(C3CCCCC3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000073198915 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@@H]2C(=O)N(C3CCCCC3)[C@H]2/C=C/c2ccccc2)nn1 ZINC000073198916 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000073198917 KK Annotated Mild COc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1cn([C@@H]2C(=O)N(C3CCCCC3)[C@@H]2/C=C/c2ccccc2)nn1 ZINC000073198918 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(c5ccc(C)cc5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073198919 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(c5ccc(C)cc5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073198920 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(c5ccc(C)cc5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073198921 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(c5ccc(C)cc5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)cc1 ZINC000073198922 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](O)[C@]3(C)[C@@H]2CC[C@@H]2[C@@]4(C)CC[C@H](C(C)(C)O)[C@@H]4C[C@H](O)[C@]23C)C1(C)C ZINC000073199008 KK Annotated Anodyne in-vitro COc1cc(O)c([C@@H](/C=C/C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000073199109 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@H](/C=C/C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000073199110 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000073199112 KK Annotated Mild in-vitro biogenic O=[N+]([O-])c1ccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)o1 ZINC000073199126 KK Annotated Bother O=[N+]([O-])c1ccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)o1 ZINC000073199127 KK Annotated Bother C=CCO[C@@H]1O[C@H](Cn2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)[C@H]2OC3(CCCC3)O[C@@H]12 ZINC000073199142 KK Annotated Mild O=C(c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2cccc3cccnc23)cc1)N1CCOCC1 ZINC000073199166 KK Annotated Anodyne CN1CCN(C(=O)c2ccc(C(=C3CCN(Cc4cscn4)CC3)c3cccc4cccnc34)cc2)CC1 ZINC000073199167 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O ZINC000073199489 KK Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCNC(=O)CC2)c(NC(=O)Nc2ccc(F)c(Cl)c2Cl)s1 ZINC000073199494 KK Annotated Anodyne COCCOCCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2cccc(Cl)c2Cl)CCC1=O ZINC000073199497 KK Annotated Anodyne Cn1c(SCCCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000073199533 KK Annotated Anodyne Cc1cccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc12 ZINC000073199640 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc(C(C)(C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073199742 KK Annotated Anodyne CC(C)CC[C@H](c1ccc(C(C)(C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073199745 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc([C@@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073199746 KK Annotated Anodyne CC(C)CC[C@H](c1ccc([C@@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073199749 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc([C@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073199751 KK Annotated Anodyne CC(C)CC[C@H](c1ccc([C@H](CC(C)C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073199753 KK Annotated Anodyne Cc1noc2c(C(c3ccccc3)c3c(-c4ccccc4)c[n+]([O-])c4c(C)noc34)c(-c3ccccc3)c[n+]([O-])c12 ZINC000073199773 KK Annotated Anodyne Cc1ccccc1C(c1c(-c2ccccc2)c[n+]([O-])c2c(C)noc12)c1c(-c2ccccc2)c[n+]([O-])c2c(C)noc12 ZINC000073199775 KK Annotated Anodyne COc1ccccc1C(c1c(-c2ccccc2)c[n+]([O-])c2c(C)noc12)c1c(-c2ccccc2)c[n+]([O-])c2c(C)noc12 ZINC000073199781 KK Annotated Anodyne Cc1noc2c(C(c3ccccc3Cl)c3c(-c4ccccc4)c[n+]([O-])c4c(C)noc34)c(-c3ccccc3)c[n+]([O-])c12 ZINC000073199783 KK Annotated Anodyne CN(C)c1nc2c(Br)c(Br)c(Br)c(Br)c2n1CCCC(=O)O ZINC000073199823 KK Annotated Anodyne CC1(C)OC[C@H](CN2CCN(C(=O)c3cc(C(C)(C)C)sc3NC(=O)Nc3cccc(Cl)c3Cl)CCC2=O)O1 ZINC000073199889 KK Annotated Anodyne CC1(C)OC[C@@H](CN2CCN(C(=O)c3cc(C(C)(C)C)sc3NC(=O)Nc3cccc(Cl)c3Cl)CCC2=O)O1 ZINC000073199891 KK Annotated Anodyne O=C(Nc1c(C(=O)O)ncn1-c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc(Cl)cc1 ZINC000073200098 KK Annotated Anodyne COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4ccc(C(F)(F)F)cc43)noc2c1 ZINC000073200101 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc([C@@H](C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073200425 KK Annotated Anodyne CC(C)CC[C@H](c1ccc([C@@H](C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073200427 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc([C@H](C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073200429 KK Annotated Anodyne CC(C)CC[C@H](c1ccc([C@H](C)C(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000073200431 KK Annotated Anodyne c1ccc(-c2cc(-c3ccc(Oc4c(-c5cccc6ccccc56)nc5ccccc5c4-c4ccccc4)cc3)nc3ccccc23)cc1 ZINC000073200487 KK Annotated Anodyne c1ccc(-c2cc(-c3ccc(Oc4c(-c5ccc6ccccc6c5)nc5ccccc5c4-c4ccccc4)cc3)nc3ccccc23)cc1 ZINC000073200490 KK Annotated Anodyne Cn1c(SCCC(=O)O)nc2c(Br)c(Br)c(Br)c(Br)c21 ZINC000073200495 KK Annotated Anodyne CN(C)CCCNc1nc(NCCc2ccc(Cl)cc2Cl)nc(NCCc2ccc(Cl)cc2Cl)n1 ZINC000073200554 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(I)cc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000073218912 KK Annotated Anodyne CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4ccsc4c3=O)CC2)c1 ZINC000073218947 KK Annotated Anodyne COc1cc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000073219268 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000073219274 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000073219275 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000073219278 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000073219282 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@H](C)CO ZINC000073219446 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000073219449 KK Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000073219450 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)[C@@H](OC(C)=O)C(=O)C=C(C)C ZINC000073219454 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc([C@H](Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 ZINC000073219693 KK Annotated Anodyne O=C(O)CCNC(=O)c1ccc([C@@H](Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 ZINC000073219696 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccc(F)cc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073219768 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(F)ccc6[nH]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073219771 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000073219838 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000073219840 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000073219843 KK Annotated Bother COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc([N+](=O)[O-])cc12 ZINC000073219846 KK Annotated Bother CC(C)Oc1cc(CC/C(O)=N/S(=O)(=O)Cc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000073219992 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(C)(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073220052 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(SC)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073220055 KK Annotated Mild CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4F)n2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073220401 KK Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000073220404 KK Annotated Anodyne COc1ncc(-c2ccccc2CN(C(=O)c2ccc(-c3ccc(C#N)cc3)o2)c2ccc(N3CCNCC3)cc2)cn1 ZINC000073220585 KK Annotated Mild COc1ccccc1-c1ccccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1 ZINC000073220588 KK Annotated Mild COc1ccccc1-c1ncccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1 ZINC000073220590 KK Annotated Mild COc1ccncc1-c1ncccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1 ZINC000073220594 KK Annotated Mild CC(C)(N[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H](c2ccsc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000073220606 KK Annotated Bother C=CCOC[C@H](C)C(=C)C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000073220632 KK Annotated Anodyne S=C(N/N=C/c1ccc(Oc2ccc(Br)cc2)cc1)Nc1ccc(Br)cc1 ZINC000073220661 KK Annotated Mild Nc1cc(Cn2c(/C(O)=N/S(=O)(=O)c3cccc(Cl)c3)c(-c3ccc[nH]c3=O)c3cc(Cl)ccc32)ccn1 ZINC000073220723 KK Annotated Mild Nc1scc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1cccc(C(F)(F)F)c1 ZINC000073221117 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000073221190 KK Annotated Anodyne CC(C)(N[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)[C@@H](c2ccsc2)C1)c1ccc(Cl)cc1 ZINC000073221275 KK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000073221376 KK Annotated Anodyne O=C([C@@H]1CNC[C@]12CCCc1cc(Br)ccc12)N1CC[C@@H](c2ccccc2)C[C@H]1C1CCCCC1 ZINC000073221379 KK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000073221410 KK Annotated Anodyne CCCCOP(=O)(OCCCC)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000073221414 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@H]2C(=C[C@H](OC(C)=O)[C@@H]3[C@@]2(C)CC[C@]2(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(C)=O)CC[C@@]32C)C1(C)C ZINC000073221494 KK Annotated Anodyne in-vitro biogenic CC(C)=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O ZINC000073221647 KK Annotated Anodyne CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000073221667 KK Annotated Mild CCc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2c2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000073221669 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OC)c([N+](=O)[O-])cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073222044 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3ccc([N+](=O)[O-])cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073222047 KK Annotated Mild Cc1ccc(C(C)(C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4ccc(Cl)cn4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073222102 KK Annotated Anodyne COc1ccc(C(C)(C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5o4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073222105 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073222107 KK Annotated Anodyne COc1cc2c(=O)c(-c3nnc(Cc4ccc(Cl)cc4)o3)cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000073222239 KK Annotated Anodyne [N-]=[N+]=Nc1ccc(C(=O)NCCCCCCCCCCCCSC(=O)CC2CC(=O)NC(=O)C2)cc1 ZINC000073222332 KK Annotated Mild N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccccc3-c3cccnc3)c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000073222356 KK Annotated Mild O=C(O)CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S ZINC000073222374 KK Annotated Clean COc1ccc(-c2c(C#N)c(-c3ccc(Cl)cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073222474 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCN4CCCCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073222512 KK Annotated Mild CCCCc1cc2c(=O)c(-c3ccc(C(F)(F)F)cc3C)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073222696 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2N1c1ccccc1N1C(C(=O)OCC)=NN(c3ccc(Cl)cc3)[C@@]21C ZINC000073222700 KK Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073222785 KK Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073222787 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000073222823 KK Annotated Anodyne O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S ZINC000073222874 KK Annotated Clean CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccccc4)n2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073222989 KK Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(-c2nnc(Cc4ccccc4)o2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073222991 KK Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(-c2noc(Cc4ccc(F)cc4)n2)cn3Cc2ccc(Cl)cc2)CC1 ZINC000073222993 KK Annotated Anodyne CCc1cc(/C=C/C(=O)c2ccccc2N/C(O)=N/S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000073223087 KK Annotated Mild CCCCc1cc2c(=O)c(-c3ccc(COc4ccc(OC(F)(F)F)cc4)cc3)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073223116 KK Annotated Anodyne CCCCc1cc2c(=O)c(-c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3C)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073223118 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3c(NC(=O)[C@@H](N)C(C)C)cccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073223226 KK Annotated Mild CN1CCN(c2cc3c(cc2F)c(=O)c(-c2nnc(Cc4ccccc4)o2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073223331 KK Annotated Anodyne CN1CCN(c2cc3c(cc2F)c(=O)c(-c2nnc(Cc4ccc(F)cc4)o2)cn3Cc2ccc(C(F)(F)F)cc2F)CC1 ZINC000073223334 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccccc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073223373 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073223375 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(Cl)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073223377 KK Annotated Mild O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S ZINC000073223420 KK Annotated Clean Cc1ccc(O)c(-c2cc(-c3ccc(C#CCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)cc3)[nH]n2)c1 ZINC000073223431 KK Annotated Mild COc1ccc(C(C)(C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073223515 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6[nH]5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073223517 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000073223561 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3ccccc3N12 ZINC000073223563 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)F ZINC000073223575 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)F ZINC000073223577 KK Annotated Anodyne O=C1C(Sc2ccc(Br)cc2)=C(Sc2ccc(Br)cc2)C(=O)c2ncncc21 ZINC000073223738 KK Annotated Mild Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2N(C)S(C)(=O)=O)c1 ZINC000073223974 KK Annotated Anodyne Cc1nn(-c2ccc(C(=O)N[C@H]3CCCc4cc(CN5CCCCC5)ccc43)cc2)c(=O)c2ccccc12 ZINC000073223990 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6ccccc6s5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073224041 KK Annotated Anodyne Cc1ccc(S(=O)(=O)/N=C(\O)Nc2ccccc2C(=O)/C=C/c2c3ccccc3cc3ccccc23)cc1 ZINC000073224081 KK Annotated Mild CCCCc1cc2c(=O)c(-c3ccc(C(F)(F)F)cc3F)c(C)[nH]c2cc1OCCOc1ccccc1 ZINC000073224105 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc(NC(=O)[C@@H](N)C(C)C)cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224106 KK Annotated Mild C[C@]12[C@@H]3N(c4ccccc4)N=C(C(=O)c4ccccc4)N3c3ccccc3N1C(C(=O)c1ccccc1)=NN2c1ccccc1 ZINC000073224109 KK Annotated Anodyne Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000073224163 KK Annotated Reactive Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000073224164 KK Annotated Reactive Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O ZINC000073224165 KK Annotated Reactive Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O ZINC000073224166 KK Annotated Reactive COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nccs4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224169 KK Annotated Anodyne COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5s4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224171 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224173 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3cc(N4CCCCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224175 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(C)(C)O)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073224190 KK Annotated Mild CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C2=N[C@H](CO2)C(=O)N[C@H](C2CCCCC2)C(=O)O1 ZINC000073224192 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073224235 KK Annotated Mild CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4Cl)c4ccccc4c3=O)CC2)c1 ZINC000073224303 KK Annotated Anodyne C[C@@H]1CN(C(=O)/C=C/c2ccc(C[N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)cc2)c2cc(N)c3ccccc3c21 ZINC000073224392 KK Annotated Bother C[C@H]1CN(C(=O)/C=C/c2ccc(C[N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)cc2)c2cc(N)c3ccccc3c21 ZINC000073224393 KK Annotated Bother C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)/C(=N/O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000073224401 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C2CC2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000073224450 KK Annotated Mild CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4cc(Cl)c(Cl)cc4c3=O)CC2)c1 ZINC000073224501 KK Annotated Anodyne COc1ccc([C@@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000073224549 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000073224550 KK Annotated Anodyne COc1ccc([C@@H]2[C@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000073224551 KK Annotated Anodyne COc1ccc([C@H]2[C@H]3CSCN3[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000073224552 KK Annotated Anodyne CCCCCS(=O)(=O)/N=C(\O)CCc1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000073224594 KK Annotated Mild C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000073224606 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3cc(NCc4ccccc4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224610 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2Cc3cc(NC(=O)C(F)(F)F)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224611 KK Annotated Mild CN(Cc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1)Cc1ccc([N+](=O)[O-])n1C ZINC000073224639 KK Annotated Reactive CN(Cc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1)Cc1ccc([N+](=O)[O-])n1C ZINC000073224640 KK Annotated Reactive C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OC)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000073224657 KK Annotated Mild C[C@@H]1CN(C(=O)/C=C/c2ccc(C[N+](C)(C)Cc3ccc(S(C)(=O)=O)n3C)cc2)c2cc(N)c3ccccc3c21 ZINC000073224674 KK Annotated Bother C[C@H]1CN(C(=O)/C=C/c2ccc(C[N+](C)(C)Cc3ccc(S(C)(=O)=O)n3C)cc2)c2cc(N)c3ccccc3c21 ZINC000073224675 KK Annotated Bother Cn1c(C[N+](C)(C)CCCCCCC(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O ZINC000073224678 KK Annotated Reactive Cn1c(C[N+](C)(C)CCCCCCC(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O ZINC000073224679 KK Annotated Reactive C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC000073224787 KK Annotated Anodyne in-man O=C(Cn1cc(COc2cccc(NC(=O)Cn3sc4ccccc4c3=O)c2)nn1)Nc1cccc(Oc2ccccc2)c1 ZINC000073224793 KK Annotated Anodyne O=C(Cn1sc2ccccc2c1=O)Nc1cccc(OCc2cn(CC(=O)Nc3ccccc3Oc3ccccc3)nn2)c1 ZINC000073224794 KK Annotated Anodyne CC(C)Oc1cc(CC/C(O)=N/S(=O)(=O)C2CCCCC2)n(Cc2ccc(Cl)cc2Cl)n1 ZINC000073224816 KK Annotated Mild N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000073224837 KK Annotated Mild N#Cc1ccc(-c2ccc(C(=O)N(Cc3cccc(-c4ccccc4)c3)c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000073224838 KK Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CCCC2)n(Cc2ccccc2F)c2ccc(Cl)cc12 ZINC000073224865 KK Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)CCCCl)n(Cc2ccccc2F)c2ccc(Cl)cc12 ZINC000073224866 KK Annotated Reactive COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nc5ccccc5[nH]4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073224881 KK Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000073224924 KK Annotated Mild in-vitro CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000073224925 KK Annotated Mild in-vitro CC[C@@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000073224926 KK Annotated Mild in-vitro CC[C@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)C1=C2C3=COC([C@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O ZINC000073224927 KK Annotated Mild in-vitro O=C(O)CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2Cl)SC1=S ZINC000073225033 KK Annotated Clean COc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)nc3c2c(-c2cccnc2)nn3-c2ccccc2)cc1 ZINC000073225071 KK Annotated Mild COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(C)ccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073239778 KK Annotated Anodyne COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000073239958 KK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000073239960 KK Annotated Mild O=C(C1=NN(c2ccccc2)[C@@H]2[C@H]3N(c4ccccc4)N=C(C(=O)c4ccccc4)N3c3ccccc3N12)c1ccccc1 ZINC000073240018 KK Annotated Anodyne O=C(C1=NN(c2ccccc2)[C@H]2[C@@H]3N(c4ccccc4)N=C(C(=O)c4ccccc4)N3c3ccccc3N12)c1ccccc1 ZINC000073240021 KK Annotated Anodyne O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Br)cc1 ZINC000073240084 KK Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Br)cc1 ZINC000073240087 KK Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Br)cc1 ZINC000073240089 KK Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(Br)cc1 ZINC000073240091 KK Annotated Anodyne CC[C@@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)C[C@H]1C2=COC([C@H]3C(=O)C[C@H](O)C[C@@H]3C)=CC2=CC(=O)[C@]1(C)O ZINC000073240170 KK Annotated Mild in-vitro CC[C@H](C)C[C@@H](C)/C=C(C)/C=C/C(=O)C[C@H]1C2=COC([C@H]3C(=O)C[C@H](O)C[C@@H]3C)=CC2=CC(=O)[C@]1(C)O ZINC000073240174 KK Annotated Mild in-vitro CC[C@@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)C[C@H]1C2=COC([C@H]3C(=O)C[C@H](O)C[C@@H]3C)=CC2=CC(=O)[C@]1(C)O ZINC000073240178 KK Annotated Mild in-vitro CC[C@H](C)C[C@H](C)/C=C(C)/C=C/C(=O)C[C@H]1C2=COC([C@H]3C(=O)C[C@H](O)C[C@@H]3C)=CC2=CC(=O)[C@]1(C)O ZINC000073240180 KK Annotated Mild in-vitro COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nc6cc(F)ccc6o5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000073240551 KK Annotated Anodyne COc1ccncc1-c1ccccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1 ZINC000073240618 KK Annotated Mild COc1ccc(-c2ccccc2CN(C(=O)c2ccc(-c3ccc(C#N)cc3)o2)c2ccc(N3CCNCC3)cc2)cn1 ZINC000073240620 KK Annotated Mild O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000073240669 KK Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000073240671 KK Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000073240673 KK Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000073240674 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)OC(C)(C)C)c(CCC(=O)O)c2)cc1 ZINC000073240826 KK Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)NCCN(C)C)cccc34)cc2)n1 ZINC000073241238 KK Annotated Clean O[C@]1(C(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=CCCC1 ZINC000073241341 KK Annotated Mild O[C@@]1(C(Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Sc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C=CCCC1 ZINC000073241343 KK Annotated Mild Cc1ccccc1N1C(=O)/C(=C/c2ccc(N(CCC#N)CCC#N)cc2)N=C1c1cc([N+](=O)[O-])ccc1Cl ZINC000073241584 KK Annotated Mild CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000073241901 KK Annotated Reactive Br[C@@H](/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H](Br)c1ccccc1 ZINC000073242175 KK Annotated Reactive Br[C@@H](c1ccccc1)[C@H](Br)/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000073242177 KK Annotated Reactive CCCCCCCC[C@@H](c1nc2cc(C)c(C)cc2[nH]1)n1c(=O)c(-c2ccccc2Br)nc2ccccc21 ZINC000073242402 KK Annotated Mild CCCCCCCC[C@H](c1nc2cc(C)c(C)cc2[nH]1)n1c(=O)c(-c2ccccc2Br)nc2ccccc21 ZINC000073242404 KK Annotated Mild CCCCCCCCCCCCSC(=S)c1c(C)[nH]n(CCCCCCCCCCCC)c1=O ZINC000073242637 KK Annotated Mild C=C1[C@@H](O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H](C2=C)[C@]53O4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42O3 ZINC000073242956 KK Annotated Mild C=C1[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H](C2=C)[C@]53O4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42O3 ZINC000073242957 KK Annotated Mild C=C1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)O[C@@H](O[C@H]1O[C@@H]1O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H](C1=C)[C@]75O6)[C@]23O4 ZINC000073242958 KK Annotated Mild Cn1c(COC(=O)NC2CCCCC2)c(COC(=O)NC2CCCCC2)c2ccc3cc(Cl)c(Cl)cc3c21 ZINC000073242975 KK Annotated Anodyne CCOC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)[C@@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000073243003 KK Annotated Anodyne C[C@H](CSc1nc2c(c(=N)n1-c1ccccc1)c(=S)n(-c1ccccc1)c(=S)n2-c1ccccc1)CN(C)C ZINC000073243004 KK Annotated Anodyne COc1c(Br)cc2c(c1OC)[C@@H](Br)CCC(Br)(Br)C2=O ZINC000073243047 KK Annotated Reactive O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(Cc1ccccc1)Cc1ccccc1)C(C(F)(F)F)C(F)(F)F ZINC000073256766 KK Annotated Mild Cc1c(CCCl)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2c(nc3ccccc32)c1C#N ZINC000073257028 KK Annotated Reactive Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)NC(=O)Nc1ccccc1C ZINC000073257542 KK Annotated Mild C[C@@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@H](c1ccc(F)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2 ZINC000073257584 KK Annotated Anodyne C[C@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@H](c1ccc(F)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2 ZINC000073257585 KK Annotated Anodyne C[C@@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@@H](c1ccc(F)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2 ZINC000073257586 KK Annotated Anodyne C[C@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@@H](c1ccc(F)cc1)n1c(s/c(=C\c3ccc(Cl)cc3)c1=O)=N2 ZINC000073257587 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3cccs3)C2)cc1 ZINC000073257589 KK Annotated Bother COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C=C(N6CCCC6)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc(OC)c1OC ZINC000073257738 KK Annotated Mild N#Cc1c2c(c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)n3c1nc1ccccc13)CCCC2 ZINC000073257904 KK Annotated Reactive CCCCOc1c(Br)cc(/C=C2\CCC/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000073257944 KK Annotated Mild c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 ZINC000073258290 KK Annotated Reactive BrC[C@@](Br)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000073258344 KK Annotated Reactive BrC[C@](Br)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 ZINC000073258345 KK Annotated Reactive COc1ccc([C@]23CCC4(OCC(C)(C)CO4)[C@H]4CON(O[C@H](O[C@@H]5CCCC[C@@H]5C(C)(C)c5ccccc5)C2)[C@@H]43)cc1OC ZINC000073258443 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000073273262 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000073273265 KK Annotated Bother CCCCOc1c(Br)cc(/C=C2\CCC/C(=C\c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000073274471 KK Annotated Mild OC([C@H]1CCC/C1=N/N=C1/CCC[C@H]1C(O)(C(F)(F)Cl)C(F)(F)Cl)(C(F)(F)Cl)C(F)(F)Cl ZINC000073275009 KK Annotated Mild C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@]45C[C@]35CC[C@]12C)[C@@H](C)CO ZINC000073275145 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000073275422 KK Annotated Anodyne O=C(/C(=C\c1ccc(Br)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000073276090 KK Annotated Mild O=C(/C(=C\c1ccc(C(F)(F)F)cc1)S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000073276094 KK Annotated Mild CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@@H](C(C)(C)C)N2 ZINC000073276368 KK Annotated Mild CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@H](C(C)(C)C)N2 ZINC000073276374 KK Annotated Mild 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@H]1[C@H](C(C)(C)O)CC[C@]1(C)O ZINC000073276512 KK Annotated Anodyne O/N=C/[C@H]1[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)CN1Cc1ccccc1 ZINC000073277776 KK Annotated Mild CC1(C)[C@H]2C[C@@H]1[C@H](CCCCC[C@@H]1c3cc(-c4ccccn4)ncc3[C@@H]3C[C@H]1C3(C)C)c1cc(-c3ccccn3)ncc12 ZINC000073278225 KK Annotated Anodyne CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000073278467 KK Annotated Clean CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc1 ZINC000073278472 KK Annotated Clean c1ccc(COC[C@H]2[C@@H]3OC[C@@H]([C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)N2Cc2ccccc2)cc1 ZINC000073278679 KK Annotated Anodyne Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000073278889 KK Annotated Reactive Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000073278894 KK Annotated Reactive COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1=O ZINC000073279002 KK Annotated Mild CC1(C)OC[C@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCc2ccc(-c3nc4ccc(F)cc4s3)cc2)O1 ZINC000073279242 KK Annotated Anodyne O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(C(F)(F)F)C(F)(F)F ZINC000073279459 KK Annotated Reactive CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(OC)cc2)sc2c1[C@@H](Cc1ccccc1)C[C@@H](C(C)C)C2 ZINC000073280109 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(OC)cc2)sc2c1[C@@H](Cc1ccccc1)C[C@H](C(C)C)C2 ZINC000073280111 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(OC)cc2)sc2c1[C@H](Cc1ccccc1)C[C@@H](C(C)C)C2 ZINC000073280114 KK Annotated Anodyne CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(OC)cc2)sc2c1[C@H](Cc1ccccc1)C[C@H](C(C)C)C2 ZINC000073280116 KK Annotated Anodyne C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccc6c(c5)OCO6)cc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 ZINC000073280172 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](OC(C)=O)[C@H]([C@H](C)C(=O)C5=C(C)OC[C@H](C)C5)[C@@]4(C)C(=O)C[C@@H]32)C1 ZINC000073280439 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](OC(C)=O)[C@@H]2[C@H](C)C(=O)C2=C(C)OC[C@H](C)C2)C1 ZINC000073280441 KK Annotated Mild CCOC(=O)c1sc(NC(=O)NC/C=C/c2ccc(OC)cc2)c(C(=O)OCC)c1CCc1ccccc1 ZINC000073280444 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000073280882 KK Annotated Anodyne C=C(C(=O)C[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)[C@H](C)CO ZINC000073280885 KK Annotated Anodyne O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000073291874 KK Annotated Unstable C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C ZINC000073292173 KK Annotated Anodyne CN1CCN(CCCNc2nccc(-c3c(-c4ccc(C(F)(F)F)cc4)nn4cc(C(F)(F)F)ccc34)n2)CC1 ZINC000073292280 KK Annotated Anodyne CC(C)=CCN1c2cc(C(=O)c3ccccc3)ccc2Nc2c(C(N)=O)cc(C(=O)c3ccccc3)cc21 ZINC000073292609 KK Annotated Anodyne CCCN(CCC)CCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCN(CCC)CCC)cccc1C2=O ZINC000073293443 KK Annotated Clean CCCCCCCCCCCCCCCCNc1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000073293490 KK Annotated Mild CC1=NN(c2cccc(Cl)c2)[C@@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccc(N(C)C)cc1 ZINC000073293796 KK Annotated Clean CC1=NN(c2cccc(Cl)c2)[C@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccc(N(C)C)cc1 ZINC000073293802 KK Annotated Clean CN1O[C@@H]2OC(=O)O[C@@H]2[C@H]1[C@H]1O[C@H](c2ccccc2)O[C@]1(C)c1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000073294010 KK Annotated Anodyne CN1O[C@@H]2OC(=O)O[C@H]2[C@H]1[C@H]1O[C@H](c2ccccc2)O[C@]1(C)c1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000073294014 KK Annotated Anodyne CCCC[P+](CCCC)(CCCC)[C@H](C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000073294878 KK Annotated Mild CC(C)/C(Cl)=N\OC(NC(=O)P(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000073295014 KK Annotated Reactive CCCc1cc(I)c(O)c(-c2cc(CCC)cc(I)c2O)c1 ZINC000073295813 KK Annotated Anodyne CCCCc1cc(I)c(O)c(-c2cc(CCCC)cc(I)c2O)c1 ZINC000073295815 KK Annotated Anodyne CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3C(C(=O)OCCCCNC(=O)OCc4ccccc4)=C(C)N=C(N1)N23 ZINC000073295849 KK Annotated Mild CCCCCCCCC[C@@H]1C[C@@H]2CC[C@@H]3C(C(=O)OCCCCNC(=O)OCc4ccccc4)=C(C)N=C(N1)N23 ZINC000073295851 KK Annotated Mild C/C=C(\C[C@@H](C)CO)C(=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C ZINC000073295915 KK Annotated Mild O=C1C[C@H](N[C@@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000073295985 KK Annotated Anodyne O=C1C[C@@H](N[C@@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000073295987 KK Annotated Anodyne O=C1C[C@H](N[C@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000073295988 KK Annotated Anodyne CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N/N=C/c2ccc(F)cc2F)cc1 ZINC000073296340 KK Annotated Reactive CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2/C(N)=N/OC(=O)c2cccc(O)c2O)cc1 ZINC000073296349 KK Annotated Mild COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CCN2C)cc1 ZINC000073296553 KK Annotated Anodyne in-vitro biogenic CCCCCCCC(=O)OC[n+]1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)cc1 ZINC000073296779 KK Annotated Mild CC(C)(C)OC(=O)N1CCN(c2ccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)cc2)CC1 ZINC000073297186 KK Annotated Anodyne Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)NC(=O)Nc1ccc(Cl)cc1 ZINC000073297429 KK Annotated Mild C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000073298285 KK Annotated Mild C/C(=N\NS(=O)(=O)c1ccc(C)cc1)[C@H](CN1CCCCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O ZINC000073298288 KK Annotated Mild CC1(C)CCCC[C@H]1/C=C/C(CC(O)(C(F)(F)F)C(F)(F)F)=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000073298338 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N\OC[C@@H](O)COCc2ccco2)cc1 ZINC000073308222 KK Annotated Mild COc1cc(/C=C2\[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H](C(=O)N2Cc2ccccc2)N3C)c(OC)c(C)c1OC ZINC000073310434 KK Annotated Anodyne CCOC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000073310723 KK Annotated Anodyne CCN1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311062 KK Annotated Anodyne CCN1CC2=C(N=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000073311065 KK Annotated Anodyne COc1ccc(NC(=O)CC(=O)NN[C@H](Sc2ccccc2)c2cc(/N=N/c3ccc(Br)cc3)ccc2O)cc1 ZINC000073311270 KK Annotated Reactive CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(C)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000073311634 KK Annotated Anodyne CCC(c1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O ZINC000073311637 KK Annotated Anodyne CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2-c2noc(-c3cccc(O)c3O)n2)cc1 ZINC000073311961 KK Annotated Clean Cc1ccc([C@]2(C)CC/C(=N/N=C3/CC[C@](C)(c4ccc(C)c(C)c4)c4cc(C)c(C)cc43)c3cc(C)c(C)cc32)cc1C ZINC000073312145 KK Annotated Mild Cc1ccc([C@@]2(C)CC/C(=N/N=C3/CC[C@](C)(c4ccc(C)c(C)c4)c4cc(C)c(C)cc43)c3cc(C)c(C)cc32)cc1C ZINC000073312151 KK Annotated Mild COc1cc2nc(-c3cccs3)nc(N3C(c4ccc(O)cc4)=NNC(=O)c4ccccc43)c2cc1OC ZINC000073313744 KK Annotated Clean COc1ccc(C2=NNC(=O)c3ccccc3N2c2nc(-c3cccs3)nc3cc(OC)c(OC)cc23)cc1 ZINC000073313759 KK Annotated Anodyne [N-]=[N+]=Nc1ccccc1C(=O)N1C(=O)c2ccccc2C(=O)N(C(=O)c2ccccc2N=[N+]=[N-])c2ccccc21 ZINC000073314303 KK Annotated Mild C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000073314711 KK Annotated Reactive COc1ccc(/C=C/Cn2c(=O)[nH]c3sc4c(c3c2=O)[C@H](Cc2ccccc2)C[C@H](C(C)C)C4)cc1 ZINC000073314751 KK Annotated Anodyne COc1ccc(/C=C/Cn2c(=O)[nH]c3sc4c(c3c2=O)[C@H](Cc2ccccc2)C[C@@H](C(C)C)C4)cc1 ZINC000073314752 KK Annotated Anodyne COc1ccc(/C=C/Cn2c(=O)[nH]c3sc4c(c3c2=O)[C@@H](Cc2ccccc2)C[C@H](C(C)C)C4)cc1 ZINC000073314755 KK Annotated Anodyne COc1ccc(/C=C/Cn2c(=O)[nH]c3sc4c(c3c2=O)[C@@H](Cc2ccccc2)C[C@@H](C(C)C)C4)cc1 ZINC000073314758 KK Annotated Anodyne Cc1cc(C)c(-n2c(-c3ccc(Br)cc3)cs/c2=N\N=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)c(C)c1 ZINC000073314863 KK Annotated Mild C[C@@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073315016 KK Annotated Bother C[C@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)no1 ZINC000073315019 KK Annotated Bother CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2cc3ccccc3o2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000073315165 KK Annotated Anodyne COc1ccc(-c2cc(-c3ccc(Nc4ccnc5cc(C(F)(F)F)ccc45)cc3)nc(N)c2C#N)c2ccccc12 ZINC000073315319 KK Annotated Mild CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@@H]3c1ccc(OC)c(OC)c1 ZINC000073316455 KK Annotated Anodyne CCOC(=O)C(C(=O)c1ccccc1-c1ccccc1C(=O)O)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000073316548 KK Annotated Unstable CC1=NN(c2cccc(Cl)c2)[C@@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccccc1O ZINC000073316979 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccccc1O ZINC000073316982 KK Annotated Anodyne CCOC(=O)C[C@H](NCc1ccc(/N=C/c2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC ZINC000073329461 KK Annotated Mild CCOC(=O)C[C@@H](NCc1ccc(/N=C/c2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)cc1)C(=O)OCC ZINC000073329464 KK Annotated Mild C[C@@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@H](c1ccc(F)cc1)n1c(s/c(=C/c3cccc(Br)c3)c1=O)=N2 ZINC000073330059 KK Annotated Anodyne C[C@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@H](c1ccc(F)cc1)n1c(s/c(=C/c3cccc(Br)c3)c1=O)=N2 ZINC000073330062 KK Annotated Anodyne C[C@@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@@H](c1ccc(F)cc1)n1c(s/c(=C/c3cccc(Br)c3)c1=O)=N2 ZINC000073330063 KK Annotated Anodyne C[C@H]1CC/C(=C\c2ccc(F)cc2)C2=C1[C@@H](c1ccc(F)cc1)n1c(s/c(=C/c3cccc(Br)c3)c1=O)=N2 ZINC000073330067 KK Annotated Anodyne O=C(O)/C(=C/C=C/c1ccccc1)c1csc(-c2nc(/C(=C\C=C\c3ccccc3)C(=O)O)cs2)n1 ZINC000073330104 KK Annotated Anodyne O=C(c1c(F)c(F)c(F)c(F)c1F)n1c(=S)n(C(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc21 ZINC000073330213 KK Annotated Mild Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)C(=O)Nc1ccccc1Cl ZINC000073330859 KK Annotated Mild COc1ccc([C@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)cc1OC ZINC000073331250 KK Annotated Anodyne CC(=N/N=C/c1ccccn1)/C(C)=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N/N=C(C)/C(C)=N\N=C\c1ccccn1 ZINC000073331914 KK Annotated Mild CCOC(=O)CN(Cc1ccccc1)Cc1c(C(=O)c2ccccc2)c2ccccc2n1C(=O)c1ccccc1 ZINC000073331957 KK Annotated Anodyne C[C@@H](C[C@H]1OC(C)(C)O[C@@H]1C(C)(C)O)[C@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000073332165 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)Oc1ccc(N(CC)CC)cc1[C@]21Oc2ccccc2-c2c1c1ccccc1n2CC ZINC000073332462 KK Annotated Anodyne O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21 ZINC000073332794 KK Annotated Mild Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)NCCN(C)C)ccc(Cl)c34)cc2)n1 ZINC000073333350 KK Annotated Clean CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000073333454 KK Annotated Anodyne CO[C@@H]1O[C@H](Cc2nnc(C)o2)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000073333732 KK Annotated Anodyne CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@@](C)(C(C)(C)C)N2 ZINC000073334581 KK Annotated Mild CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@](C)(C(C)(C)C)N2 ZINC000073334585 KK Annotated Mild CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C ZINC000073334768 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@@]1(O2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C ZINC000073334771 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@]1(O2)[C@@H](C)CC[C@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C ZINC000073334776 KK Annotated Anodyne CC(=O)Oc1cc(C)c2c(c1OC(C)=O)C[C@@]1(O2)[C@@H](C)CC[C@H]2[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]21C ZINC000073334780 KK Annotated Anodyne COc1cccc([C@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)c1OC ZINC000073336532 KK Annotated Anodyne Cc1cccc(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000073336956 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(/C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000073347665 KK Annotated Mild Cc1ccc(C2=CC(=O)O[C@@](C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)O2)cc1 ZINC000073351169 KK Annotated Reactive Cc1ccc(C2=CC(=O)O[C@](C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)O2)cc1 ZINC000073351170 KK Annotated Reactive CCCCOC(=O)[C@@H](N[C@@H](C(=O)OCCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000073351205 KK Annotated Anodyne CCCCOC(=O)[C@@H](N[C@H](C(=O)OCCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000073351206 KK Annotated Anodyne CCCCOC(=O)[C@H](N[C@@H](C(=O)OCCCC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000073351207 KK Annotated Anodyne COc1cc2nc(-c3cccs3)nc(N3C(c4cc(OC)c(OC)c(OC)c4)=NNC(=O)c4ccccc43)c2cc1OC ZINC000073351273 KK Annotated Anodyne Cc1cc2nc(-c3cccc(Br)c3)c(Cc3cccc(Cl)c3)n2c(C)c1Br ZINC000073351276 KK Annotated Anodyne CN1CCc2cc3c4cc2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]1c2c(cc(O)c(c2O4)O3)CCN1C ZINC000073351284 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccc(Cl)cc1 ZINC000073351299 KK Annotated Anodyne CC1=NN(c2cccc(Cl)c2)[C@]2(SCC(=O)N2c2nc3ccccc3s2)/C1=C\c1ccc(Cl)cc1 ZINC000073351300 KK Annotated Anodyne CCCCCCCCCCn1cccc1/C=C/c1ccc(/C=C/c2cccn2CCCCCCCCCC)cc1 ZINC000073351353 KK Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1OC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000073351400 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1OC(F)(F)F)N1CCN(c2ccc(F)cc2)CC1 ZINC000073351401 KK Annotated Anodyne O=S(=O)(C1=C[C@@H](S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000073351459 KK Annotated Anodyne O=S(=O)(C1=C[C@H](S(=O)(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1cccc2ccccc12)c1ccccc1 ZINC000073351461 KK Annotated Anodyne COc1ccc(C2=NNC(=O)c3ccccc3N2c2nc(-c3cccs3)nc3ccc(Br)cc23)cc1 ZINC000073352023 KK Annotated Anodyne C[C@@H](CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000073352165 KK Annotated Bother O=C1c2ccccc2C(=O)N1/N=C1/SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000073352372 KK Annotated Mild CCCCCCCC(=O)OC[n+]1cccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2CCC3)c1 ZINC000073352595 KK Annotated Mild CSCCCCCCCCCCOc1ccc(C=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 ZINC000073352734 KK Annotated Reactive C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@]3(C)O[C@](C)(CC[C@@H]3I)[C@@H](I)C[C@@H]12 ZINC000073353113 KK Annotated Reactive CC(C)OP(=O)(CCCCCCCCC/C=C/c1ccc2c(c1)OCCOCCOCCOCCO2)OC(C)C ZINC000073353157 KK Annotated Anodyne Oc1cc(N2CCCC2)ccc1/C=N/N1C(=S)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 ZINC000073353767 KK Annotated Mild O=C1C2=C(C(c3ccccc3)=C1c1ccccc1)c1ccccc1[C@]1(c3ccccc3)C2=C(O)C(c2ccccc2)=C1c1ccccc1 ZINC000073353980 KK Annotated Mild O=C1C2=C(C(c3ccccc3)=C1c1ccccc1)c1ccccc1[C@@]1(c3ccccc3)C2=C(O)C(c2ccccc2)=C1c1ccccc1 ZINC000073353982 KK Annotated Mild O=C([C@@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000073355079 KK Annotated Anodyne O=C([C@@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000073355083 KK Annotated Anodyne O=C([C@@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@@H]1[C@@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000073355085 KK Annotated Anodyne O=C([C@@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1)[C@@H]1[C@H](c2ccccc2)N1C(c1ccccc1)c1ccccc1 ZINC000073355088 KK Annotated Anodyne N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2ccc(Nc3ccnc4cc(C(F)(F)F)ccc34)cc2)nc1N ZINC000073355238 KK Annotated Mild CCC(/C=C/[C@H]1OC(=O)C=C[C@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000073355441 KK Annotated Anodyne in-vitro CCC(/C=C/[C@H]1OC(=O)C=C[C@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000073355447 KK Annotated Anodyne in-vitro CCC(/C=C/[C@H]1OC(=O)C=C[C@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000073355452 KK Annotated Anodyne in-vitro CCC(/C=C/[C@H]1OC(=O)C=C[C@H]1C)=C\[C@H](C)C/C=C/C(C)=C/[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O ZINC000073355457 KK Annotated Anodyne in-vitro CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000073369165 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000073369166 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O ZINC000073369176 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O ZINC000073369177 KK Annotated Reactive C=CCCCCCCCCC[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000073369729 KK Annotated Reactive C=CCCCCCCCCC[P@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000073369731 KK Annotated Reactive COc1ccc2nc([C@H](c3ccc(C)cc3)n3c(-c4ccccc4Br)nc4ccccc43)[nH]c2c1 ZINC000073369735 KK Annotated Anodyne COc1ccc2nc([C@@H](c3ccc(C)cc3)n3c(-c4ccccc4Br)nc4ccccc43)[nH]c2c1 ZINC000073369738 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000073369812 KK Annotated Reactive Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1 ZINC000073370159 KK Annotated Mild CCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2OC(=O)/C=C/c2ccccc2)c(OC(=O)/C=C/c2ccccc2)c1 ZINC000073370222 KK Annotated Clean Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(/C=C\c2ccccc2)N(c2ccc(C(=O)O)cc2)C1=O ZINC000073370290 KK Annotated Mild O=[S@](C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000073370451 KK Annotated Unstable O=[S@@](C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000073370453 KK Annotated Unstable COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCCCCc1ccccc1 ZINC000073370461 KK Annotated Anodyne COc1cc(C2=NNC(=O)c3ccccc3N2c2nc(-c3cccs3)nc3ccc(Br)cc23)cc(OC)c1OC ZINC000073370695 KK Annotated Anodyne COc1cc([C@H]2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc(OC)c1OC ZINC000073370834 KK Annotated Anodyne CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@](c1ccccc1)(C(C)(C)C)N2 ZINC000073371184 KK Annotated Mild CC(C)(C)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)O[C@@](c1ccccc1)(C(C)(C)C)N2 ZINC000073371187 KK Annotated Mild C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)C=C)c4ccccc34)=C(OC(C)=O)C2=O)c2ccccc21 ZINC000073371204 KK Annotated Mild COc1ccc(/C=N/n2cnc3c(c2=O)S/C(=C2/SC(=S)N(c4ccc(C)cc4)C2=O)N3c2ccccc2)cc1 ZINC000073371244 KK Annotated Mild COC(=O)C(C)(C)OCc1ccc([C@@H]2NC(=O)N(c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000073371771 KK Annotated Anodyne COc1ccc([C@@H]2C=CCN(S(=O)(=O)/C=C\c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000073371885 KK Annotated Anodyne COc1ccc([C@@H]2/C=C/CN(S(=O)(=O)/C=C\c3ccccc3)[C@H](Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000073371886 KK Annotated Anodyne Cc1ccc(N2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3C)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000073372467 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCO[C@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000073386248 KK Annotated Mild CC(C)CC[C@@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(C)(C)C)CC1 ZINC000073386507 KK Annotated Anodyne CC(C)CC[C@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(C)(C)C)CC1 ZINC000073386510 KK Annotated Anodyne CC(C)(CN1CCCCC1)C(/C=C/c1ccccc1)=N\NC(=O)N/N=C(/C=C/c1ccccc1)C(C)(C)CN1CCCCC1 ZINC000073386921 KK Annotated Reactive Oc1c(Cl)c(Cl)c(O)c(-c2cnc(-c3ncc(-c4c(O)c(Cl)c(Cl)c(O)c4Cl)s3)s2)c1Cl ZINC000073387899 KK Annotated Anodyne COc1ccc([C@H]2N(c3ccc(C)c(N=C=O)c3)C(=O)N3[C@@H](c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 ZINC000073388307 KK Annotated Reactive COc1ccc([C@H]2N(c3ccc(C)c(N=C=O)c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 ZINC000073388310 KK Annotated Reactive COc1ccc([C@@H]2N(c3ccc(C)c(N=C=O)c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 ZINC000073388312 KK Annotated Reactive CCOC(=O)c1c(Nc2ccc(I)cc2Cl)sc2c1CC(C)(C)CNC2=O ZINC000073388483 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C(F)(F)F)nn2-c2ccccc2)cc1 ZINC000073388699 KK Annotated Anodyne COC(=O)n1c(=O)nc2c3c(ncn21)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000073389492 KK Annotated Anodyne CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12 ZINC000073389642 KK Annotated Anodyne O=C(OCC1=CCCN(CCCc2ccccc2)C1)c1ccccc1N1C(=O)C[C@@H](Cc2ccccc2)C1=O ZINC000073389842 KK Annotated Anodyne CCC1=NC(C(F)(F)F)(C(F)(F)F)N=C(NC(=N)N(C)[C@@H](C(C)C)P(=O)(OC(C)C)OC(C)C)O1 ZINC000073389950 KK Annotated Anodyne COc1ccc([C@@H](C)N[C@@H]2CC[C@H](C(=O)N3CCN(c4nnc(C(F)(F)F)s4)CC3)[C@@H](c3ccsc3)C2)cc1 ZINC000073390874 KK Annotated Anodyne C/C=C(\C)C(=O)[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)CC)[C@H](C)[C@H]1C ZINC000073391054 KK Annotated Mild C=CCc1cc(-c2cc(CC=C)c(O)c(CN(CCCl)CCCl)c2)cc(CN(CCCl)CCCl)c1O ZINC000073391129 KK Annotated Reactive O=Cc1ccc(OCc2cccc(COc3ccc(/C=N\Nc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)n2)cc1 ZINC000073391324 KK Annotated Mild CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5n[nH]c(C(F)(F)F)c5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000073394769 KK Annotated Anodyne FC(F)(F)c1ccccc1N1CCN(c2nc(-c3cccs3)nc3ccc(Br)cc23)CC1 ZINC000073402419 KK Annotated Anodyne COC[C@H]1N=C(c2cc(OC)c(OC)c(OC)c2-c2cc3c(cc2C2OCCCO2)OCO3)O[C@H]1c1ccccc1 ZINC000073403229 KK Annotated Anodyne O=C([C@H]1CNCC[C@]1(O)c1ccc(F)c(F)c1)N(Cc1cn(Cc2ccc(F)c(F)c2)c2cccc(F)c12)C1CC1 ZINC000073403432 KK Annotated Anodyne COc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(c3cc(F)c(Cl)cc3Cl)C2)cc1OC ZINC000073403890 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@H](O)C#C ZINC000073403969 KK Annotated Mild C#C/C=C\CCCCCCCCCCCCCC/C=C\CCCCC#C[C@H](O)C#CCCCC/C=C\CCCCCC/C=C/[C@@H](O)C#C ZINC000073403976 KK Annotated Mild COC(=O)C1=C(C(=O)OC)[C@]2(/N=C(\Nc3ccccc3)c3ccccc3)N(c3ccc(OC)cc3)C[C@H](c3ccccc3)N2O1 ZINC000073404869 KK Annotated Mild COC(=O)C1=C(C(=O)OC)[C@]2(/N=C(\Nc3ccccc3)c3ccccc3)N(c3ccc(OC)cc3)C[C@@H](c3ccccc3)N2O1 ZINC000073404874 KK Annotated Mild O=C1CN2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@]2(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1 ZINC000073404887 KK Annotated Bother CCOC(=O)c1nc2c3c(ncn2n1)Oc1c(c(-c2ccccc2)nn1-c1ccccc1)[C@@H]3c1ccc(Cl)cc1 ZINC000073408317 KK Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000073409086 KK Annotated Anodyne COCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000073409092 KK Annotated Anodyne CCCCCCCCCCCCOCCCCCCCCC/C=C/c1ccc2c(c1)OCCOCCOCCOCCO2 ZINC000073409723 KK Annotated Mild COc1cc([C@H]2SCC(=O)N2c2ccc(-c3ccc(-n4c(-c5ccccc5)nc5ccccc5c4=O)cc3)cc2)ccc1O ZINC000073409746 KK Annotated Anodyne CCCN1CCC(=O)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=S ZINC000073410275 KK Annotated Mild Cc1nnc(N2C(=O)/C(=C/c3ccc(Cl)cc3)N=C2c2ccc(Cl)cc2)nc1/C=C\c1ccc(N(C)C)cc1 ZINC000073410831 KK Annotated Clean O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21 ZINC000073410885 KK Annotated Mild CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Nc2nc(F)nc(-c3c4ccccc4c4n3CCS4)n2)cc1 ZINC000073417374 KK Annotated Anodyne C/C(=N/NC(=S)Nc1cccc(Cl)c1)c1cccc(/C(C)=N\NC(=S)Nc2cccc(Cl)c2)n1 ZINC000073417669 KK Annotated Mild FC(F)(F)c1cc(N(C2c3ccccc3C=Cc3ccccc32)P(Cl)Cl)cc(C(F)(F)F)c1 ZINC000073417682 KK Annotated Reactive O=c1/c(=C/c2ccc([N+](=O)[O-])o2)sc2n1[C@@H](c1ccc(Cl)cc1)C=C(c1cc(F)c(Cl)cc1Cl)N=2 ZINC000073417784 KK Annotated Bother CCCCP(CCCC)(CCCC)=C(C(=O)OC)C(C(=O)OC)=C1SC(C(=O)OC)=C(C(=O)OC)S1 ZINC000073417803 KK Annotated Unstable CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)c2ccccc2C(=O)c2c(OC(C)=O)ccc(OC(C)=O)c21 ZINC000073417826 KK Annotated Anodyne c1ccc2c(Cc3nnc4sc(SSc5nn6c(Cc7c[nH]c8ccccc78)nnc6s5)nn34)c[nH]c2c1 ZINC000073417852 KK Annotated Reactive CC(C)(C)C1=CC(O)(c2c3ccccc3c(C3(O)C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c3ccccc23)C=C(C(C)(C)C)C1=O ZINC000073417878 KK Annotated Mild O=C=NCCCCCCN1C(=O)N2[C@H](c3ccccc3)N(CCCCCCN=C=O)C(=O)N2[C@H]1c1ccccc1 ZINC000073417913 KK Annotated Reactive O=C=NCCCCCCN1C(=O)N2[C@@H](c3ccccc3)N(CCCCCCN=C=O)C(=O)N2[C@H]1c1ccccc1 ZINC000073417914 KK Annotated Reactive O=C=NCCCCCCN1C(=O)N2[C@H](c3ccccc3)N(CCCCCCN=C=O)C(=O)N2[C@@H]1c1ccccc1 ZINC000073417915 KK Annotated Reactive O=[P@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2Sc2c(ccc(Cl)c2Cl)O1 ZINC000073417941 KK Annotated Reactive CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000073417942 KK Annotated Reactive CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000073417943 KK Annotated Reactive CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000073417944 KK Annotated Reactive CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 ZINC000073417945 KK Annotated Reactive CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000077269217 KK Annotated Anodyne O=C(ON1C(=O)CCC1=O)c1cc(Cl)c2c(c1Cl)C1(OC2=O)c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21 ZINC000077865747 KK Annotated Mild in-vitro CC1(C)O[C@@H](CP(c2cccc3ccccc23)c2cccc3ccccc23)[C@H](CP(c2cccc3ccccc23)c2cccc3ccccc23)O1 ZINC000078095203 KK Annotated Reactive CCCCNC(=O)[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)Cc1nnc2c(CCC)nc(-c3cccnc3)cn12)C(C)C ZINC000079321021 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)C2=C(C(=O)c3ccccc3)[C@H](c3ccccc3)[C@@](O)(C(=O)OC)C(=O)N2[C@H]1c1ccccc1 ZINC000008017853 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C2=C(C(=O)c3ccccc3)[C@H](c3ccccc3)[C@@](O)(C(=O)OC)C(=O)N2[C@@H]1c1ccccc1 ZINC000008017863 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C2=C(C(=O)c3ccccc3)[C@@H](c3ccccc3)[C@@](O)(C(=O)OC)C(=O)N2[C@H]1c1ccccc1 ZINC000008017918 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)C2=C(C(=O)c3ccccc3)[C@@H](c3ccccc3)[C@@](O)(C(=O)OC)C(=O)N2[C@@H]1c1ccccc1 ZINC000008017924 KK Annotated Mild COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)[C@H](c1ccccc1)[C@@H]3C(=O)c1ccccc1 ZINC000008018180 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2)[C@]23O[C@](C(=O)OC)(C(=O)N2[C@@H]1c1ccccc1)[C@@H](c1ccccc1)[C@@H]3C(=O)c1ccccc1 ZINC000008018196 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@H](C)[C@H]3c3ccccc3Br)C(=O)N2[C@@H]1c1ccccc1Br ZINC000008018302 KK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008018874 KK Annotated Reactive aggregator COc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC ZINC000008018907 KK Annotated Reactive Cc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c(F)c1F ZINC000008018975 KK Annotated Reactive O=C(NCc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019035 KK Annotated Reactive O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019087 KK Annotated Reactive aggregator O=C(NCc1cc(F)cc2c1OCCO2)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019115 KK Annotated Reactive O=C(NCc1cccc2ccccc12)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019171 KK Annotated Reactive C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019271 KK Annotated Reactive aggregator C[C@@H](C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008019283 KK Annotated Reactive aggregator CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C2OC(C)(C)CC[C@@]2(CC=C(C)C)C1=O ZINC000008019373 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C2OC(C)(C)CC[C@]2(CC=C(C)C)C1=O ZINC000008019384 KK Annotated Mild C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1cccc(OC)c1 ZINC000008019435 KK Annotated Reactive C=C(CC(=O)OC)C[C@]1(CC(=O)OC)C[C@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(OC(=O)c3ccc(Br)cc3)[C@](CC=C(C)C)(C1)C2=O ZINC000008019545 KK Annotated Mild C=C(CC(=O)OC)C[C@]1(CC(=O)OC)C[C@@]2(CC=C(C)C)C(=O)C(C(=O)c3ccccc3)=C(OC(=O)c3ccc(Br)cc3)[C@@](CC=C(C)C)(C1)C2=O ZINC000008019549 KK Annotated Mild C[C@]1([C@@H](NS(=O)(=O)c2cccc3cccnc23)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000008019550 KK Annotated Anodyne aggregator COC(=O)[C@H](/C=C/[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OCc1ccccc1 ZINC000008019587 KK Annotated Anodyne COC(=O)[C@H](/C=C/[C@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OCc1ccccc1 ZINC000008019595 KK Annotated Anodyne COC(=O)[C@@H](/C=C/[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OCc1ccccc1 ZINC000008019605 KK Annotated Anodyne COC(=O)[C@@H](/C=C/[C@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OCc1ccccc1 ZINC000008019613 KK Annotated Anodyne CC1(C)O[C@H](C(O)(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)[C@H](C(O)(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)O1 ZINC000008019632 KK Annotated Mild CC1(C)O[C@@H](C(O)(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)[C@H](C(O)(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)O1 ZINC000008019640 KK Annotated Mild CC1(C)O[C@H](C(O)(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)[C@@H](C(O)(c2cc(F)c(F)c(F)c2)c2cc(F)c(F)c(F)c2)O1 ZINC000008019649 KK Annotated Mild CCCCCCC#Cc1cc(OC)c(OC)cc1C(N1C[C@H](C)c2ccccc21)N1C[C@H](C)c2ccccc21 ZINC000008019811 KK Annotated Mild CC#C[C@@H](C)[C@H](OCOC)[C@@H](C[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000008019906 KK Annotated Mild CC#C[C@H](C)[C@H](OCOC)[C@@H](C[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000008019917 KK Annotated Mild CC#C[C@@H](C)[C@@H](OCOC)[C@@H](C[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000008019926 KK Annotated Mild CC#C[C@H](C)[C@@H](OCOC)[C@@H](C[C@@H](C)Cc1cc(Br)cc(OCc2ccccc2)c1OC)OC ZINC000008019937 KK Annotated Mild CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccc(F)cc3)C=C21 ZINC000008021557 KK Annotated Mild aggregator CCCc1cc2c(n1Cc1ccc(OC)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@@](C)(C(=O)OC)[C@@H]21 ZINC000008021567 KK Annotated Anodyne CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccc(C(F)(F)F)cc3)C=C21 ZINC000008021594 KK Annotated Mild aggregator CC(C)=C1C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccc(C(F)(F)F)cc3)[C@H]21 ZINC000008021633 KK Annotated Mild CC(C)=C1C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@]3(Cc3ccccc3)[C@H]21 ZINC000008021686 KK Annotated Mild CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@@]3(Cc3ccccc3)C=C21 ZINC000008021716 KK Annotated Mild CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccccc1 ZINC000008022040 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccccc1 ZINC000008022052 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccccc1 ZINC000008022055 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccccc1 ZINC000008022063 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(O)cc1 ZINC000008022072 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(O)cc1 ZINC000008022079 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(O)cc1 ZINC000008022086 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(O)cc1 ZINC000008022092 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2-c2ccccc2)NC(=O)N1CCCCCC(=O)O ZINC000008022133 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2-c2ccccc2)NC(=O)N1CCCCCC(=O)O ZINC000008022145 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccccn1 ZINC000008022210 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccccn1 ZINC000008022215 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccccn1 ZINC000008022220 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccccn1 ZINC000008022231 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000008022254 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000008022261 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000008022266 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](C2CC2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000008022273 KK Annotated Anodyne CNc1ccc2oc(C[C@@H]3O[C@@]4(CC[C@H]3C)O[C@@H]([C@@H](C)C(=O)c3ccc[nH]3)[C@@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000008034879 KK Annotated Anodyne CC(=O)O[C@@H]1[C@H]([N+]2(C)CCCCC2)C[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@@]4(C)[C@H]3CC[C@@]12C ZINC000008035020 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@@H]4C[C@@H]([N+]5(C)CCCCC5)[C@@H](OC(C)=O)[C@@]4(C)CC[C@H]3[C@]2(C)C[C@H]1[N+]1(C)CCCCC1 ZINC000008035308 KK Annotated Anodyne COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc(OC)c(O)c4Oc4cccc(c4)C[C@H]3N(C)CC2)CC[N+]1(C)C ZINC000008035425 KK Annotated Bother CC[C@H](C(=O)[C@H](C)[C@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@@](O)(CC)[C@H](C)O2)C[C@H]1C ZINC000008035448 KK Annotated Anodyne COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO/N=C(/C)CCC(=O)OC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000008035606 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N/OCC[C@@H]2C=C[C@H](OC(C)=O)[C@H](COC(C)=O)O2)cc1 ZINC000008035611 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000008035614 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000008035619 KK Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(/C)CCC(=O)OC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)[C@@H](CO)O1 ZINC000008035625 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\OC[C@@H](O)COCc2ccco2)cc1 ZINC000008035627 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\O[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000008035631 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000008035637 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2COC(=O)CC/C(C)=N\OC[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000008035638 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO/N=C(/C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)cc1 ZINC000008035640 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1OC(C)=O ZINC000008035641 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000008035642 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)CN1CCCc2nc(C)c(C)cc21 ZINC000008035643 KK Annotated Mild C=CC[C@@H]1C=C[C@@H](O/N=C(/C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)[C@@H](CO)O1 ZINC000008035645 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/OC[C@@H](O)COCc1ccco1 ZINC000008035646 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)c1cn([C@H](CO)Cc2ccccc2)nn1 ZINC000008035648 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1 ZINC000008035649 KK Annotated Mild C/C(CCC(=O)OC[C@@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035650 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000008035664 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035665 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)cc1 ZINC000008035671 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035672 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000008035677 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C\c2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035678 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000008035680 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)CN2CCCc3nc(C)c(C)cc32)cc1 ZINC000008035681 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000008035686 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000008035687 KK Annotated Mild COC(=O)[C@@H]1CC[C@H](C)[C@@H](c2ccc(C)cc2)N1C(=O)c1ccc(/C=N\OC[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000008035688 KK Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000008035690 KK Annotated Mild COC(=O)C/C=C\[C@@H](C)[C@@H](/C=N\O[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1)NS(=O)(=O)c1ccc(C)cc1 ZINC000008035700 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@H]2CO/N=C2/c3cc(OC)ccc3O[C@@H](c3cccc(OC)c3)[C@H]2O)cc1 ZINC000008035703 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C2\c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@H]2O)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035704 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N/O[C@@H](C)CN3CCCCc4nc(C)c(C)cc43)[C@@H]2O)c1 ZINC000008035706 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N/O[C@@H](C)c3cc(-c4c(C)cc(C)cc4C)no3)[C@@H]2O)c1 ZINC000008035713 KK Annotated Mild COc1cccc([C@@H]2Oc3ccc(OC)cc3/C(=N/OC[C@@H](C)[C@H](OCc3ccccc3)C(C)C)[C@@H]2O)c1 ZINC000008035714 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C\[C@@H](C)[C@H](OCc2ccccc2)C(C)C)cc1 ZINC000008035738 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C\[C@@H](C)[C@H](OCc2ccccc2)C(C)C)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035739 KK Annotated Mild CCc1cc2c(nc1CC)CCN(CC/C(C)=N/OC[C@H]1O[C@H](c3ccccc3)C=C[C@@H]1Oc1ccc(OC)cc1)C2 ZINC000008035748 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCN2CCc3nc(CC)c(CC)cc3C2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035749 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008035756 KK Annotated Mild C/C(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=N\OC[C@@H](C)[C@H](OCc1ccccc1)C(C)C ZINC000008035762 KK Annotated Mild C[C@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@H](C)[C@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000008035774 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccc(Br)cc1 ZINC000008035775 KK Annotated Anodyne C[C@@H]1CC[C@H]2C(=O)N3[C@H](CC[C@@H](C)[C@@H]3c3ccc(-c4ccco4)cc3)C(=O)N2[C@H]1c1ccc(-c2ccco2)cc1 ZINC000008035776 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CO/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(c3cccc(Oc4ccccc4)c3)C(=O)[C@H]12 ZINC000008035825 KK Annotated Mild CC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@H](CC[C@@]4(C)[C@H](OC(C)=O)[C@H]([N+]5(C)CCCCC5)C[C@H]34)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000008036010 KK Annotated Anodyne CNc1ccc2oc(C[C@H]3O[C@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1C(=O)O ZINC000008036035 KK Annotated Anodyne C=CC[N+]12CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C/C7=C/CO)c7ccccc7N(C=C([C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 ZINC000008214356 KK Annotated Mild in-man CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000008214769 KK Annotated Anodyne in-man CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@@H](CC[C@]4(C)[C@@H]([C@H](C)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]2(C)C[C@@H]1O ZINC000008217848 KK Annotated Anodyne in-vitro CC(C)=CCC[C@@H](C)CCC[C@@H](C)C/C=C/C(C)=C/C=C/C=C(C)/C=C/C[C@@H](C)CCC[C@@H](C)CCC=C(C)C ZINC000008219870 KK 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@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1 ZINC000008221215 KK Annotated Bother in-vitro 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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000008221222 KK Annotated Bother in-vitro 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000008221226 KK Annotated Bother in-man endogenous 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=C(\C)CC/C=C(\C)CO ZINC000008221228 KK Annotated Bother in-vitro C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000008221256 KK Annotated Bother in-man endogenous C/C(C=C=C1C(C)(C)C[C@H](O)C[C@]1(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 ZINC000008221260 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000008221279 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@H]4O[C@@H]5C[C@@H](c6ccoc6)C(C)=C5[C@@]4(C)[C@@H](CC(=O)OC)[C@]1(C)[C@@H]32 ZINC000008221357 KK Annotated Anodyne C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N5C=C6[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/C)c7ccccc7N7C=C([C@H]1C[C@@H]32)[C@]54O[C@@]679 ZINC000008234262 KK Annotated Bother in-vitro CCCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c(CC3=C(O)C(C)(C)C(O)=C(C(=O)CCC)C3=O)c(O)c(C(=O)CCC)c2O)C1=O ZINC000008234354 KK Annotated Mild in-vitro biogenic CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000008237779 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1CO/C(=C2\C=CC=CC2=O)N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000008237795 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CO/C(=C2\C=CC=CC2=O)N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000008237810 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1CO/C(=C2\C=CC=CC2=O)N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000008237827 KK Annotated Mild in-vitro Cc1ccccc1/N=C(/N/N=C\c1ccc2ccc3ccc(/C=N\N/C(=N/c4ccccc4C)c4ccccn4)nc3c2n1)c1ccccn1 ZINC000008386436 KK Annotated Mild CCOc1ccc(C2=C(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000008400038 KK Annotated Mild CCOc1ccc(C2=C(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 ZINC000008400040 KK Annotated Mild Cc1ccc(Nc2nc(N/N=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000008427476 KK Annotated Mild CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]2(O)CC1=O)O[C@@]1(C=C[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000008436964 KK Annotated Mild in-vitro CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C(\C)[C@]3(O)CC(=O)C(C)=C[C@H]3C(=O)O1)O2 ZINC000008436974 KK Annotated Mild in-vitro CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000008437316 KK Annotated Bother in-vitro Cc1c(Cl)cccc1-c1ccc(/C=N\Nc2nncn2/N=C/c2ccc(-c3cccc(Cl)c3C)o2)o1 ZINC000008443234 KK Annotated Mild O=[N+]([O-])c1cc(-c2ccc(/C=N\n3cnnc3N/N=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)o2)ccc1Cl ZINC000008443286 KK Annotated Mild O=[S@@](Cc1cc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1)c1nc2cscc2[nH]1 ZINC000008463223 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCOC)[C@H]1OC[C@@H](OCCOC)[C@H]1OCCOC ZINC000080052525 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@@H](OCCOC)[C@H]1OC[C@@H](OCCOC)[C@H]1OCCOC ZINC000080052527 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@H](OCCOC)[C@@H]1OC[C@@H](OCCOC)[C@H]1OCCOC ZINC000080052530 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@@H](OCCOC)[C@@H]1OC[C@@H](OCCOC)[C@H]1OCCOC ZINC000080052534 KK Annotated Mild in-vitro Cc1c2cc(N)ccc2c2ccc(N)cc2[n+]1CCCNCCNCCC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000080077077 KK Annotated Bother in-vitro CCCCCC(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](C(=O)c2ccccc2)[C@@](C)(O)[C@H]1C)OCO3 ZINC000081185003 KK Annotated Anodyne C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@H](CC[C@H](C)/C=C(\C)[C@H](C)O)O3)CC[C@@H]2C)O1 ZINC000082011714 KK Annotated Mild CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@@](=O)c2ccccc2)=N1 ZINC000082011990 KK Annotated Reactive CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@@](=O)c2ccccc2)=N1 ZINC000082011992 KK Annotated Reactive C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C[C@H]12 ZINC000082051228 KK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C[C@H]12 ZINC000082051229 KK Annotated Mild C[C@@H](Cc1nsc(Nc2ccc(F)c(Cl)c2)n1)N(Cc1ccccc1)C(=S)Nc1cccnc1 ZINC000082051948 KK Annotated Anodyne C[C@H](Cc1nsc(Nc2ccc(F)c(Cl)c2)n1)N(Cc1ccccc1)C(=S)Nc1cccnc1 ZINC000082051950 KK Annotated Anodyne CS/C(=N\c1nn(Cc2ccccc2F)cc1Cl)Nc1nn(Cc2ccccc2F)cc1Cl ZINC000082052396 KK Annotated Mild CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc(C(C)(C)C)c1O ZINC000082052498 KK Annotated Reactive CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc(C(C)(C)C)c1O ZINC000082052500 KK Annotated Reactive Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@H](CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000082052741 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)O)CC[C@H](CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000082052745 KK Annotated Anodyne CC(C)(C)c1cc([C@@H](N(C(=O)CCc2ccccc2)c2ccccc2)P(=O)(O)O)cc(C(C)(C)C)c1O ZINC000082052760 KK Annotated Anodyne CC(C)(C)c1cc([C@H](N(C(=O)CCc2ccccc2)c2ccccc2)P(=O)(O)O)cc(C(C)(C)C)c1O ZINC000082052762 KK Annotated Anodyne CC(C)(C)c1cc(CN(CC2=CCNC=C2)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O ZINC000082052862 KK Annotated Anodyne C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5ccc(OCc6ccccc6)cc45)[C@H]3C[C@H]12 ZINC000082053020 KK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5ccc(OCc6ccccc6)cc45)[C@H]3C[C@H]12 ZINC000082053022 KK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4c(C)[nH]c5ccc(OCc6ccccc6)cc45)[C@H]3C[C@@H]12 ZINC000082053023 KK Annotated Mild C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCc4c(C)[nH]c5ccc(OCc6ccccc6)cc45)[C@H]3C[C@@H]12 ZINC000082053025 KK Annotated Mild CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)[CH-]C2=[N+](C(N)=C1C#N)C(C)(C)Cc1ccccc12 ZINC000082053137 KK Annotated Reactive CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)[CH-]C2=[N+](C(N)=C1C#N)C(C)(C)Cc1ccccc12 ZINC000082053139 KK Annotated Reactive CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCC2CCCC2)[C@@H](C(=O)N2CCOCC2)C[C@H](CC(=O)NCC24CC5CC(CC(C5)C2)C4)C(=O)N1CC3 ZINC000082055858 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(F)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065792 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(Cl)cc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065803 KK Annotated Mild CCN(c1nc(NCCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082065807 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3Cl)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065812 KK Annotated Mild CCCN(CC1CC1)c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065822 KK Annotated Anodyne CCOc1ccccc1CNc1nc(Oc2ccc(OC)cc2)nc(N(CCC#N)Cc2ccccc2)n1 ZINC000082065831 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082065851 KK Annotated Mild COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065859 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065860 KK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065870 KK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065871 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065890 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065892 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065893 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065899 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065900 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065901 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065907 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(OC)c3OC)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065908 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065910 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082065911 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082065912 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065937 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065938 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082065953 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065955 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082065956 KK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065964 KK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082065965 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(Br)c3)nc(N3CCC(C)CC3)n2)cc1 ZINC000082065972 KK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065979 KK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082065980 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066043 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC)c(OC)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066044 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066059 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(OC(F)(F)F)cc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066060 KK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066069 KK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccc(OC(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066070 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066113 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3ccc(OC)c(OC)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066114 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066127 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cccc(Cl)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066132 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066137 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066142 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066143 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066144 KK Annotated Anodyne CCCCN(CC)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066145 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066147 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066150 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066151 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(F)ccc2F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066153 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2c(C)cccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066154 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)c(OC)c(OC)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066158 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066168 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082066169 KK Annotated Anodyne C=CCN(CC=C)c1nc(NCCc2ccc(OC)c(Br)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066174 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066177 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccccc2OCC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066190 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066207 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(F)cc(F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066224 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066233 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccc(Cl)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066236 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2ccccc2Cl)nc(Oc2ccc(OC)cc2)n1 ZINC000082066247 KK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066262 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(Cl)c3Cl)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066275 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(F)cc(C(F)(F)F)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066279 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)cc3C(F)(F)F)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082066286 KK Annotated Anodyne COc1ccc(Oc2nc(NCCc3cc(OC)ccc3OC)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066301 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C(F)(F)F)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082066309 KK Annotated Anodyne CCCCCCN(C)c1nc(NCc2cc(F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066312 KK Annotated Anodyne CCCCCCN(C)c1nc(NCc2ccc(F)cc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1 ZINC000082066317 KK Annotated Anodyne C=CCN(c1nc(NCc2cc(OC)c(OC)c(OC)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066320 KK Annotated Mild C=CCN(c1nc(NCc2cccc(Cl)c2Cl)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066343 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082066351 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066352 KK Annotated Anodyne C=CCN(c1nc(NCc2cccc(OC)c2OC)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066355 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(C)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082066370 KK Annotated Anodyne C=CCN(c1nc(NCc2ccc(C(F)(F)F)cc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066373 KK Annotated Mild C=CCN(c1nc(NCCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066374 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccc(F)cc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082066380 KK Annotated Anodyne C=CCN(c1nc(NCc2ccccc2C(F)(F)F)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066383 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066390 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CCO)Cc3ccccc3)n2)cc1 ZINC000082066391 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066393 KK Annotated Mild COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066394 KK Annotated Mild COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066410 KK Annotated Mild COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066423 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066459 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066460 KK Annotated Anodyne CCN(c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066520 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066534 KK Annotated Mild COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N(CCC#N)Cc3ccccc3)n2)cc1 ZINC000082066535 KK Annotated Mild CCN(c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082066564 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(C)C3CCCCC3)n2)cc1 ZINC000082066565 KK Annotated Anodyne CCCN(CC1CC1)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066570 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066604 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000082066608 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000082066609 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066692 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066693 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066710 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)ccc3OC)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066711 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H](C)CCc3ccccc3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066725 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@H](C)CCc3ccccc3)nc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000082066726 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066732 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cc(OC)cc(OC)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066733 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N3CCC[C@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066785 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N3CCC[C@@H]4CCCC[C@@H]43)n2)cc1 ZINC000082066786 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066789 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3C[C@@H](C)C[C@H](C)C3)n2)cc1 ZINC000082066790 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N3C[C@H](C)C[C@@H](C)C3)n2)cc1 ZINC000082066791 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N3CCc4ccccc4C3)n2)cc1 ZINC000082066852 KK Annotated Anodyne CC[C@@H]1CCCCN1c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066862 KK Annotated Anodyne CC[C@H]1CCCCN1c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066863 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066908 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066909 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCc2ccco2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066911 KK Annotated Anodyne COc1ccc(Oc2nc(NC3CCCCC3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066922 KK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066933 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000082066944 KK Annotated Mild CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000082066945 KK Annotated Mild CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H](C)CC#N)nc(Oc2ccc(OC)cc2)n1 ZINC000082066946 KK Annotated Mild COc1ccc(Oc2nc(NCc3ccco3)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082066962 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066970 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066971 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066972 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1 ZINC000082066976 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066984 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066985 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCC2CCCCC2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066986 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066989 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066992 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066997 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066998 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NC[C@@H]2CCCO2)nc(Oc2ccc(OC)cc2)n1 ZINC000082066999 KK Annotated Anodyne COc1ccc(Oc2nc(NCC(C)(C)CO)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067015 KK Annotated Anodyne COc1ccc(Oc2nc(NCCCCCO)nc(N(CCc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067023 KK Annotated Anodyne CCN(Cc1ccccc1)c1nc(NCc2cccc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067029 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067059 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067060 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCC(C)(C)CO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067061 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067068 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067069 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(NCCCCCO)nc(Oc2ccc(OC)cc2)n1 ZINC000082067070 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(C(F)(F)F)c3)nc(N(CC(C)C)CC(C)C)n2)cc1 ZINC000082067075 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067079 KK Annotated Anodyne CCCCN(Cc1ccccc1)c1nc(N[C@H](C)CCc2ccccc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067080 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067089 KK Annotated Anodyne CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067090 KK Annotated Anodyne CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 ZINC000082067091 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067122 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067123 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(Br)cc3)nc(N(C)CCc3ccccc3)n2)cc1 ZINC000082067160 KK Annotated Anodyne CCCCCCN(C)c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067163 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@@H]3CCc4ccccc43)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067174 KK Annotated Anodyne COc1ccc(Oc2nc(N[C@H]3CCc4ccccc43)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067175 KK Annotated Anodyne COc1ccc(Oc2nc(NCC3CCCCC3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067186 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067213 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(F)c(C(F)(F)F)c3)nc(N(C)Cc3ccccc3)n2)cc1 ZINC000082067223 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccc(C)cc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067238 KK Annotated Anodyne C=CCN(C)c1nc(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067247 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067254 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082067255 KK Annotated Anodyne C=CCN(c1nc(NCc2ccc(Br)cc2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067261 KK Annotated Mild COc1ccc(Oc2nc(NCc3cccc(F)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067268 KK Annotated Anodyne C=CCN(c1nc(NCc2cc(OC)ccc2OC)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067275 KK Annotated Mild CCCCCCN(C)c1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Oc2ccc(OC)cc2)n1 ZINC000082067280 KK Annotated Anodyne C=CCN(c1nc(NCc2cc(OC)cc(OC)c2)nc(Oc2ccc(OC)cc2)n1)C1CCCCC1 ZINC000082067283 KK Annotated Mild COc1ccc(Oc2nc(NC[C@H](C)c3ccccc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067305 KK Annotated Anodyne COc1ccc(Oc2nc(NC[C@@H](C)c3ccccc3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082067306 KK Annotated Anodyne COc1cccc(CCNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)c1OC ZINC000082068582 KK Annotated Anodyne Cc1ccc(Oc2cncc(NCCc3ccc(Oc4ccccc4)cc3)n2)c(-n2nc3ccccc3n2)c1 ZINC000082068610 KK Annotated Anodyne CC1(C)C[C@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)C1 ZINC000082068762 KK Annotated Anodyne CC1(C)C[C@@H](O)C[C@@](C)(CNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)C1 ZINC000082068763 KK Annotated Anodyne CC1(C)C[C@H](O)C[C@](C)(CNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)C1 ZINC000082068764 KK Annotated Anodyne CC1(C)C[C@@H](O)C[C@](C)(CNc2cncc(Oc3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)n2)C1 ZINC000082068765 KK Annotated Anodyne FC(F)(F)c1ccc(Oc2ccc(Oc3cncc(NC4CCCCCCCCCCC4)n3)cc2)cc1 ZINC000082068799 KK Annotated Anodyne N#Cc1ccc(-c2ccc(Oc3cncc(NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)n3)cc2)cc1 ZINC000082068896 KK Annotated Mild FC(F)(F)c1cc(CNc2cncc(Oc3ccc4oc5ccccc5c4c3)n2)cc(C(F)(F)F)c1 ZINC000082068897 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](C(=O)NCCC4=CCCCC4)C3)co2)cc1 ZINC000082069310 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(=O)NCCC4=CCCCC4)C3)co2)cc1 ZINC000082069311 KK Annotated Anodyne CCCCNC(=O)c1ccc(CNC(=O)c2coc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000082069835 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCc1ccco1 ZINC000082070044 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCc1ccco1 ZINC000082070045 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCC1CCCCC1 ZINC000082070046 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCC1CCCCC1 ZINC000082070047 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082070381 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCC(C)(C)N(C)C ZINC000082070382 KK Annotated Anodyne CC(C)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCCCN(C)C ZINC000082070383 KK Annotated Anodyne CC(C)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCCCN(C)C ZINC000082070384 KK Annotated Anodyne CCCCOCCOC(=O)[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070392 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(C)C ZINC000082070393 KK Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCC1CCCCC1 ZINC000082070905 KK Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)OCCC1CCCCC1 ZINC000082070906 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2)n1 ZINC000082071307 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2)n1 ZINC000082071308 KK Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)co1 ZINC000082071397 KK Annotated Anodyne Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCCC2=CCCCC2)co1 ZINC000082071400 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071405 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccccc2C)n1 ZINC000082071406 KK Annotated Anodyne O=C(N[C@H](CO)CSCc1ccccc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082071476 KK Annotated Anodyne O=C(N[C@@H](CO)CSCc1ccccc1)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082071478 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000082071480 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)NCc2ccco2)cs1 ZINC000082071484 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2)n1 ZINC000082071699 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(-c2ccccc2)n1 ZINC000082071701 KK Annotated Anodyne CCC#CCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071869 KK Annotated Mild CCC#CCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2OCC)n1 ZINC000082071870 KK Annotated Mild O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072900 KK Annotated Anodyne O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082072903 KK Annotated Anodyne CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073589 KK Annotated Anodyne CCCCOCCOC(=O)[C@H]1CCCN1C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073591 KK Annotated Anodyne CN(CC(=O)NCCC1=CCCCC1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082073795 KK Annotated Anodyne CN(CC(=O)OCCC1CCCCC1)C(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082074102 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000082074329 KK Annotated Anodyne CCOc1ccccc1-c1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)NCCC2=CCCCC2)cs1 ZINC000082074330 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)c1csc(N(C(=O)NCc2ccccc2)c2ccccc2OC)n1 ZINC000082074907 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082075416 KK Annotated Bother O=C(N[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 ZINC000082075418 KK Annotated Bother CCCCN(CCCC)CCNC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081454 KK Annotated Anodyne CCCCN(CCCC)CCNC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc4ccccc4c3)n2)C1 ZINC000082081455 KK Annotated Anodyne O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(CNC(=O)c2coc(-c3cccs3)n2)cc1 ZINC000082081715 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cc3cnc(Nc4cccc(S(C)(=O)=O)c4)cc3n2Cc2ccccc2)cc1 ZINC000082083549 KK Annotated Anodyne CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2ccc(C(=O)N(C)C)cc2)n3Cc2ccccc2)cc1 ZINC000082083715 KK Annotated Anodyne COc1ccc(Nc2cc3c(cn2)cc(-c2ccc(C(=O)N(C)C)cc2)n3Cc2ccccc2)c(OC)c1 ZINC000082084007 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084485 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082084486 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084521 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)NCc1ccco1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084522 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084716 KK Annotated Anodyne CN(C)C(C)(C)COC(=O)[C@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082084717 KK Annotated Anodyne O=C(N[C@@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(Nc2ccccc2)n1 ZINC000082084742 KK Annotated Anodyne O=C(N[C@H](CSCc1ccccc1)C(=O)OCCc1ccccn1)c1csc(Nc2ccccc2)n1 ZINC000082084743 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085890 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000082085891 KK Annotated Anodyne O=C(N[C@@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085944 KK Annotated Anodyne O=C(N[C@H](COCc1ccccc1)C(=O)NCCC1=CCCCC1)c1coc(-c2ccc3ccccc3c2)n1 ZINC000082085945 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3F)nc(N(C)CCc3ccc(OC)c(OC)c3)n2)cc1 ZINC000082086460 KK Annotated Anodyne COc1ccc(Oc2nc(NCc3ccccc3C)nc(N(Cc3ccccc3)Cc3ccccc3)n2)cc1 ZINC000082086461 KK Annotated Anodyne FC(F)(F)c1cc(CNc2cncc(Oc3cccc(Nc4ccccc4)c3)n2)cc(C(F)(F)F)c1 ZINC000082087994 KK Annotated Anodyne FC(F)(F)c1cc(CNc2cncc(Oc3ccc(NCc4ccccc4)cc3)n2)cc(C(F)(F)F)c1 ZINC000082087996 KK Annotated Anodyne FC(F)(F)c1cc(Oc2cncc(NCC(c3ccccc3)c3ccccc3)n2)cc(C(F)(F)F)c1 ZINC000082088003 KK Annotated Anodyne C[C@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082088044 KK Annotated Anodyne C[C@@H](NC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NCCC1=CCCCC1 ZINC000082088045 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000082088078 KK Annotated Anodyne CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCc3cccc(OC)c3OC)co2)cc1 ZINC000082088079 KK Annotated Anodyne CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nn(S(=O)(=O)c6ccc(C)cc6)cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C ZINC000082110764 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H]([C@@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC ZINC000082117893 KK Annotated Reactive in-man CC[C@@H](COC)Nc1nc(N(C)CCN(C)C(=O)CCCCC2CCCCC2)nc2cc(OC)c(OC)cc12 ZINC000082118277 KK Annotated Anodyne CC[C@H](COC)Nc1nc(N(C)CCN(C)C(=O)CCCCC2CCCCC2)nc2cc(OC)c(OC)cc12 ZINC000082118278 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)c3cc(F)ccc3C)nc(NCc3cccs3)c2cc1OC ZINC000082118641 KK Annotated Anodyne COc1cc2nc(NCCCNC(=O)CCc3ccc(F)cc3)nc(NCc3cccs3)c2cc1OC ZINC000082118767 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCc3ccco3)c2cc1OC ZINC000082119439 KK Annotated Anodyne COc1cc2nc(NCC(C)(C)CNC(=O)c3cc(F)ccc3C)nc(NCc3ccccc3)c2cc1OC ZINC000082119458 KK Annotated Anodyne COc1cc2nc(NCCCCNC(=O)c3cc(F)ccc3C)nc(NCc3cccs3)c2cc1OC ZINC000082119831 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000082124638 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126110 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126113 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NC[C@H](C)c3ccccc3)c2cc1OC ZINC000082126136 KK Annotated Anodyne COc1cc2nc(NCCC(c3ccccc3)c3ccccc3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC ZINC000082126139 KK Annotated Anodyne COc1cccc(CCNc2nc(NCc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3n2)c1 ZINC000082126270 KK Annotated Anodyne COc1ccc(CCNc2nc(NCc3cccc(C(F)(F)F)c3)c3cc(OC)c(OC)cc3n2)cc1 ZINC000082126542 KK Annotated Anodyne COc1cc2nc(NCCCN(C)c3ccccc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082126546 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NC[C@H](C)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000082126707 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NC[C@@H](C)c3ccccc3)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000082126710 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(F)cc3)nc(NCc3cccc(C(F)(F)F)c3)c2cc1OC ZINC000082127237 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCC(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082127742 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCC(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082127746 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCC(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128043 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCC(c2ccccc2)c2ccccc2)nc2cc(OC)c(OC)cc12 ZINC000082128049 KK Annotated Anodyne COc1cccc(CCNc2nc(NCc3cccc(C(F)(F)F)c3)nc3cc(OC)c(OC)cc23)c1 ZINC000082128127 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCC(C)C)c2cc1OC ZINC000082128221 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128258 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(Oc3ccccc3)cc2)nc2cc(OC)c(OC)cc12 ZINC000082128261 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(N(C)CCc2ccc(OC)c(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082128281 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(N(C)CCc2ccc(OC)c(OC)c2)nc2cc(OC)c(OC)cc12 ZINC000082128283 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000082129163 KK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCc3c(F)cccc3F)c2cc1OC ZINC000082129322 KK Annotated Anodyne COc1ccccc1CCNc1nc(NCc2ccc(C(F)(F)F)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082129331 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCC(C)(C)C)c2cc1OC ZINC000082129409 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCC(c2ccccc2)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082129438 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCC(c2ccccc2)c2ccccc2)c2cc(OC)c(OC)cc2n1 ZINC000082129440 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(Oc4ccccc4)cc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082129460 KK Annotated Anodyne COc1ccc(CCN(C)c2nc(NCc3c(F)cccc3F)c3cc(OC)c(OC)cc3n2)cc1OC ZINC000082129533 KK Annotated Anodyne COc1cc2nc(NCCCN(C)c3ccccc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129543 KK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129556 KK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129558 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(F)cc3)nc(NCc3ccc(C(F)(F)F)cc3)c2cc1OC ZINC000082129963 KK Annotated Anodyne COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NCCc3ccc(F)cc3)c2cc1OC ZINC000082130334 KK Annotated Anodyne COc1cc2nc(NCCCOC(C)C)nc(NCCc3ccc(Oc4ccccc4)cc3)c2cc1OC ZINC000082130510 KK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCc3ccc(F)cc3)c2cc1OC ZINC000082130521 KK Annotated Anodyne COc1cc2nc(NCc3cccc(C(F)(F)F)c3)nc(NCCCN(C)c3ccccc3)c2cc1OC ZINC000082130551 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCc2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082130595 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCc2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2n1 ZINC000082130599 KK Annotated Anodyne COc1cc2nc(NCc3ccccc3Sc3ccccc3CO)nc(NCCC(C)C)c2cc1OC ZINC000082130756 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(F)cc3)nc(NCc3cc(OC)c(OC)c(OC)c3)c2cc1OC ZINC000082131001 KK Annotated Anodyne COc1cc2nc(NCCc3ccc(F)cc3)nc(NCCc3cccc(OC)c3OC)c2cc1OC ZINC000082131049 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(Cl)cc2Cl)c2cc(OC)c(OC)cc2n1 ZINC000082131821 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(Cl)cc2Cl)c2cc(OC)c(OC)cc2n1 ZINC000082131823 KK Annotated Anodyne COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NCCc3ccc(Cl)cc3Cl)c2cc1OC ZINC000082131830 KK Annotated Anodyne COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NCCc3ccc(Cl)cc3Cl)c2cc1OC ZINC000082131832 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccccc1 ZINC000082133045 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccccc3)n2)cc1OC ZINC000082134036 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)o1 ZINC000082134296 KK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134513 KK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134515 KK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082134517 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082134647 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082134649 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082134652 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082134655 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)NCC3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082134735 KK Annotated Bother C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134862 KK Annotated Bother C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134865 KK Annotated Bother C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134867 KK Annotated Bother C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCc2cccc(C(F)(F)F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082134869 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135241 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135292 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135293 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135294 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135295 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082135344 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135377 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135420 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135421 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135422 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135423 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135429 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(OC)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135430 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(OC)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135431 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(OC)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135432 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(OC)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082135433 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCc2ccccc2OC)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135486 KK Annotated Bother O=C(NCCc1cccc(F)c1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135853 KK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082135958 KK Annotated Bother C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135994 KK Annotated Bother C[C@H]1C[C@H](C)CN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135995 KK Annotated Bother C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)NCc3cccc(C(F)(F)F)c3)c(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000082135996 KK Annotated Bother CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136057 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082136170 KK Annotated Bother CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000082136182 KK Annotated Bother O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 ZINC000082136349 KK Annotated Anodyne Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136603 KK Annotated Anodyne Cc1nc(Oc2ccc(S(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@@H]2c2ccccc2)CC1 ZINC000082136604 KK Annotated Anodyne Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Oc2ccc(F)c(C(N)=O)c2)c2cccc(F)c2)CC1 ZINC000082136610 KK Annotated Anodyne Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)[C@H]2c2ccccc2)CC1 ZINC000082136614 KK Annotated Anodyne Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C(=O)[C@@H]2c2ccccc2)CC1 ZINC000082136615 KK Annotated Anodyne OCC[n+]1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cc[n+](CCO)cc6)c(C(F)(F)F)o5)cc4)cc3)oc2C(F)(F)F)cc1 ZINC000082136617 KK Annotated Anodyne Cc1nc(Oc2ccc(S(=O)(=O)C(C)C)cc2)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136639 KK Annotated Anodyne Cc1nc(Oc2ccc(S(C)(=O)=O)cc2F)ccc1CN1CCC(N2C(=O)N(c3cc(C(N)=O)c(F)cc3F)C[C@H]2c2ccccc2)CC1 ZINC000082136640 KK Annotated Anodyne Cc1cc(S(C)(=O)=O)ccc1Oc1ccc(CN2CCC(N3C(=O)N(c4cc(C(N)=O)c(F)cc4F)C[C@H]3c3ccccc3)CC2)c(C)n1 ZINC000082136641 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)NCCOC(=O)c4ccc(OCc5c(-c6ccccc6)no[n+]5[O-])cc4)cc3)ccc21 ZINC000082136670 KK Annotated Anodyne C=C(C(=O)[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O ZINC000082136672 KK Annotated Anodyne COc1cc2nc(NCC(c3ccccc3)c3ccccc3)nc(NCCCOC(C)C)c2cc1OC ZINC000082137197 KK Annotated Anodyne COc1cccc(CCNc2nc(NCc3ccc(C(F)(F)F)cc3)c3cc(OC)c(OC)cc3n2)c1 ZINC000082137225 KK Annotated Anodyne CCCCNc1nc(NCc2ccccc2Sc2ccccc2CO)nc2cc(OC)c(OC)cc12 ZINC000082137382 KK Annotated Anodyne CCCC[C@@H](CC)CNc1nc(NCCc2ccc(Oc3ccccc3)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082137754 KK Annotated Anodyne CCCC[C@H](CC)CNc1nc(NCCc2ccc(Oc3ccccc3)cc2)c2cc(OC)c(OC)cc2n1 ZINC000082137756 KK Annotated Anodyne C=C(C(=O)[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000082137934 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H]2[C@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000082137935 KK Annotated Anodyne CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H]2[C@@H]3N(c4ccc(Cl)cc4)N=C(C(=O)OCC)N3c3[nH]c(-c4ccccc4)cc3N12 ZINC000082137936 KK Annotated Anodyne C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4Cc5nc6c(nc5C[C@@]43C)C[C@@H]3CC[C@H]4[C@@H]5CC/C(=C\CO)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)C6)[C@@H]1CC/C2=C\CO ZINC000082137956 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC(=O)OCOC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C ZINC000082137962 KK Annotated Mild Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1CN1CCC(N(C(=O)Nc2cnc(C(N)=O)c(F)c2)c2cccc(F)c2)CC1 ZINC000082137965 KK Annotated Anodyne C=C(C(=O)[C@H](OC(=O)CCC(=O)O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O ZINC000082137970 KK Annotated Anodyne Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2Cl)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082138002 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1cccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c1)N=C[C@@H]1CCCN1C2=O ZINC000082138048 KK Annotated Anodyne Cc1cc(NC(=O)N(c2cccc(F)c2)C2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3C)CC2)cnc1C(N)=O ZINC000082138055 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1cccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c1)N=C[C@@H]1CCCN1C2=O ZINC000082138066 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O ZINC000082138094 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCN(CC)CC ZINC000082138098 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCl ZINC000082138099 KK Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)N1CCN(C)CC1 ZINC000082138103 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139268 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139270 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139273 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082139276 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082139527 KK Annotated Anodyne C=C(C(=O)[C@H](OC(=O)CCl)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O ZINC000082139753 KK Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)Nc1ccc(N(C)C)cc1 ZINC000082139759 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000082139764 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000082139767 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000082139769 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000082139773 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(F)cc2)C1 ZINC000082139823 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(F)cc2)C1 ZINC000082139826 KK Annotated Anodyne O=[N+]([O-])c1ncn(CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000082139846 KK Annotated Mild C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)OC)[C@H]12 ZINC000082139847 KK Annotated Reactive C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)COC(=O)c5ccc6ccccc6n5)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000082139900 KK Annotated Mild C=CC(=O)OC[C@H](C)C(=C)C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000082139937 KK Annotated Anodyne CC[C@H](C)[C@@H](Cn1cc(CO[P@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC000082139953 KK Annotated Mild CC[C@H](C)[C@@H](Cn1cc(CO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC000082139956 KK Annotated Mild CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)OCc4c(-c5ccccc5)no[n+]4[O-])cc3)ccc21 ZINC000082139960 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)N1CCN(C)CC1 ZINC000082139964 KK Annotated Anodyne Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(CN2CCC(N(C(=O)Nc3ccc(C(N)=O)nc3)c3cccc(F)c3)CC2)c(C)n1 ZINC000082139967 KK Annotated Anodyne COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082140026 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082140102 KK Annotated Bother COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(C5CCCCC5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140126 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(C5CCCCC5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140135 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(C5CCCCC5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140140 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(C5CCCCC5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140144 KK Annotated Mild Cc1noc2c1N=C(c1ccccc1)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccccc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082140148 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5ccccc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082140154 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccccc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082140156 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c(N)ncnc32)OCCCSC(=O)[C@@H](N)C(C)C)cc1 ZINC000082140221 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@@](=O)(COCCn2cnc3c(N)ncnc32)OCCCSC(=O)[C@@H](N)C(C)C)cc1 ZINC000082140225 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c(N)ncnc32)OCCCSC(=O)[C@@H](N)C(C)C)cc1 ZINC000082140227 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)C(=O)OCCCO[P@](=O)(COCCn2cnc3c(N)ncnc32)OCCCSC(=O)[C@@H](N)C(C)C)cc1 ZINC000082140229 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140232 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000082140235 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140237 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000082140241 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140384 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140386 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140391 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)OCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000082140394 KK Annotated Anodyne CC(C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140457 KK Annotated Anodyne CC(C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140460 KK Annotated Anodyne CC(C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140464 KK Annotated Anodyne CC(C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000082140468 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccc(Cl)cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082140478 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5ccc(Cl)cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082140481 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccc(Cl)cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082140485 KK Annotated Anodyne COc1ccc(C2=Nc3c(C)noc3C[C@@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(OC)cc6)=Nc6c(C)noc6C5)c4)ccc3O)C2)cc1 ZINC000082140489 KK Annotated Anodyne COc1ccc(C2=Nc3c(C)noc3C[C@@H](c3cc(Cc4ccc(O)c([C@H]5CC(c6ccc(OC)cc6)=Nc6c(C)noc6C5)c4)ccc3O)C2)cc1 ZINC000082140495 KK Annotated Anodyne COc1ccc(C2=Nc3c(C)noc3C[C@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(OC)cc6)=Nc6c(C)noc6C5)c4)ccc3O)C2)cc1 ZINC000082140498 KK Annotated Anodyne COc1cc2c(c3oc4cccc(F)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082140526 KK Annotated Bother C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Oc3ccc4c(c3)[C@@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000082140530 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Oc3ccc4c(c3)[C@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000082140534 KK Annotated Reactive CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3/N(CCCCCC(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCCC(=O)O)c2ccccc21 ZINC000082140546 KK Annotated Anodyne COC(=O)CCCCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCCCCC(=O)O)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21 ZINC000082140547 KK Annotated Anodyne COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(c5ccc(C)cc5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140573 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@@H]4C(=O)N(c5ccc(C)cc5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140577 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(c5ccc(C)cc5)[C@@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140580 KK Annotated Mild COc1ccc(C(=O)/C=C/c2ccc(OCc3cn([C@H]4C(=O)N(c5ccc(C)cc5)[C@H]4/C=C/c4ccccc4)nn3)c(OC)c2)c(OC)c1 ZINC000082140584 KK Annotated Mild C=CCOc1ccccc1[C@H](NC(=O)c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)c3c(cccc3OCC=C)CN2C1 ZINC000082140602 KK Annotated Mild C=CCOc1cccc2c1[C@H](OC(=O)c1ccccc1)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3CC=C)CN1C2 ZINC000082140607 KK Annotated Mild Cc1ccc(C2=Nc3c(C)noc3C[C@@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(C)cc6)=Nc6c(C)noc6C5)c4)ccc3O)C2)cc1 ZINC000082140624 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3C[C@@H](c3cc(Cc4ccc(O)c([C@H]5CC(c6ccc(C)cc6)=Nc6c(C)noc6C5)c4)ccc3O)C2)cc1 ZINC000082140628 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3C[C@H](c3cc(Cc4ccc(O)c([C@@H]5CC(c6ccc(C)cc6)=Nc6c(C)noc6C5)c4)ccc3O)C2)cc1 ZINC000082140633 KK Annotated Anodyne O=C(NCc1ccccc1Cl)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccc(F)cc1 ZINC000082140644 KK Annotated Anodyne COc1cc2c(c3oc4cc(C#N)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082140650 KK Annotated Mild COC(=O)CCCCCN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](CCCCCC(=O)OC)c4ccccc4C3(C)C)=C2Cl)C(C)(C)c2ccccc21 ZINC000082140682 KK Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@@H]2OC(C)=O)[C@H]13 ZINC000082140774 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082140817 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082140821 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082140828 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082141557 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082141722 KK Annotated Anodyne O=C(NCc1ccccc1C(F)(F)F)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccco1 ZINC000082142034 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccco1 ZINC000082142512 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccco3)n2)cc1OC ZINC000082143048 KK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccco1 ZINC000082143137 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143634 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143636 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143638 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143642 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143661 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143663 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143665 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143669 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143804 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143806 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143808 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)C1 ZINC000082143811 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCCC2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082143866 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082143868 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082143870 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082143872 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1cc(OC)c(OC)c(OC)c1 ZINC000082143874 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000082144995 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2C(=O)NCc2ccccc2C(F)(F)F)c1 ZINC000082144997 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000082145329 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2cccc(C)c2)n1 ZINC000082145330 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082145580 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1cccc(C)c1 ZINC000082145584 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc(C)c2)C1 ZINC000082145775 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc(C)c2)C1 ZINC000082145781 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc(C)c2)C1 ZINC000082145787 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc(C)c2)C1 ZINC000082145789 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082145991 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082146546 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082146548 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3cccc(C)c3)n2)cc1OC ZINC000082147413 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082147962 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082147964 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082147965 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082147967 KK Annotated Bother C[C@H]1[C@@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148068 KK Annotated Bother C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082148072 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082148275 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148347 KK Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148420 KK Annotated Bother COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082148425 KK Annotated Bother COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148509 KK Annotated Bother COc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148512 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148549 KK Annotated Bother Cc1ccc(CCNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082148551 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082148722 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148730 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148733 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148803 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148942 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148945 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148948 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCc3c(OC)cccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082148954 KK Annotated Bother CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082148988 KK Annotated Bother COc1cc(C[C@@H]2CCCC[C@@H]2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC ZINC000082149010 KK Annotated Bother CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149011 KK Annotated Bother COc1cc(C[C@H]2CCCC[C@@H]2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC ZINC000082149013 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149014 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149017 KK Annotated Bother COc1cc(C[C@@H]2CCCC[C@H]2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC ZINC000082149018 KK Annotated Bother CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000082149020 KK Annotated Bother COc1cc(C[C@H]2CCCC[C@H]2OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c(Br)c1OC ZINC000082149023 KK Annotated Bother COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000082149264 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082149530 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(C(=O)NCCc3cccc(F)c3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082149534 KK Annotated Bother COc1cc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc(OC)c1OC ZINC000082149562 KK Annotated Anodyne COc1cc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)cc(OC)c1OC ZINC000082149565 KK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149902 KK Annotated Bother CCN(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082149904 KK Annotated Bother CN1CCN(CCC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150139 KK Annotated Anodyne CN1CCN(CCC(=O)O[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150143 KK Annotated Anodyne CN1CCN(CCC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150146 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150167 KK Annotated Bother CN1CCN(CCCC(=O)O[C@@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150168 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@H]2CC3(N4CCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150175 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@@H]2CC3(N4CCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150178 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150188 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@H]2CC3(N4CCCCC4)C[C@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150192 KK Annotated Anodyne CN1CCN(CCCC(=O)O[C@@H]2CC3(N4CCCCC4)C[C@@H](c4ccccc4)C2[C@H](c2ccccc2)C3)CC1 ZINC000082150195 KK Annotated Anodyne COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000082150201 KK Annotated Anodyne COCOc1cc(/C=C/c2cc(CO)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc(OC)c1C/C=C(\C)CCC=C(C)C ZINC000082150204 KK Annotated Anodyne COCOc1cc(/C=C/c2cc(C=O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc(OC)c1C/C=C(\C)CCC=C(C)C ZINC000082150207 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082150295 KK Annotated Bother Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@@H](N5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150329 KK Annotated Anodyne CC(C)CN(CC(C)C)C(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082150335 KK Annotated Bother Clc1cc2nc([C@@H]3CCCN3c3cc(N4CCC[C@H](N5CCc6c(cccc6-c6cccnc6)C5)C4)ncn3)[nH]c2cc1Cl ZINC000082150341 KK Annotated Anodyne COc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082150367 KK Annotated Bother CC(C)CC[C@H](NC1CCC(C(C)(C)C)CC1)c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1 ZINC000082150387 KK Annotated Anodyne CC(C)CC[C@@H](NC1CCC(C(C)(C)C)CC1)c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1 ZINC000082150390 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000082150393 KK Annotated Anodyne CC(C)CC[C@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC(C(F)(F)F)CC1 ZINC000082150395 KK Annotated Anodyne CC(C)CC[C@@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000082150399 KK Annotated Anodyne CC(C)CC[C@H](c1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000082150402 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150450 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082150456 KK Annotated Anodyne C=CCOc1cccc2c1[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3CC=C)CN1C2 ZINC000082150576 KK Annotated Mild COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082150804 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccccc2F)n1 ZINC000082150807 KK Annotated Anodyne COc1cc2c(c3oc4cccc(O)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082151038 KK Annotated Bother COc1cc2c(c3oc4c(F)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082151044 KK Annotated Bother COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)cc1OC ZINC000082151103 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)cc1OC ZINC000082151107 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)cc1OC ZINC000082151110 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)cc1OC ZINC000082151114 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCO[C@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082151123 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCO[C@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082151126 KK Annotated Mild COc1cc(/C=C/c2cc3c(c(SC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000082151128 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000082151130 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151235 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccccc2F)C[C@H]2C[C@@H]1C2(C)C ZINC000082151237 KK Annotated Anodyne CN(C)c1ccc(/C=C/c2nc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3[s+]2C)c2ccccc12 ZINC000082151405 KK Annotated Clean CN(C)c1ccc(/N=N/c2nc3c(Cc4ccccc4)c(Cc4ccccc4)ccc3s2)c2ccccc12 ZINC000082151411 KK Annotated Clean Cc1noc2c1N=C(c1ccccc1O)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccccc5O)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151551 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1O)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5ccccc5O)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151558 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1O)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccccc5O)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151561 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccco5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151567 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5ccco5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151573 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccco5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151576 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5cccs5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151580 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5cccs5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151584 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5cccs5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000082151588 KK Annotated Anodyne O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)C1 ZINC000082151604 KK Annotated Anodyne CC(=O)c1ccc(Oc2c(-c3cccc(Br)c3)nc3ccc(Cl)cc3c2-c2ccccc2)cc1 ZINC000082151615 KK Annotated Anodyne CCOC(=O)c1ncn(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1NC(=O)c1ccc(Cl)cc1 ZINC000082151673 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccccc3F)n2)cc1OC ZINC000082151718 KK Annotated Anodyne COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082151844 KK Annotated Bother CCOC(=O)Nc1cc(NCCCCN(CC)CC)c2nc(-c3cccs3)c(-c3cccs3)nc2n1 ZINC000082151904 KK Annotated Anodyne O=S1(=O)c2ccccc2N(c2ccccc2)c2nc(-c3cccnc3Nc3cc(F)c(F)c(F)c3)nn21 ZINC000082151993 KK Annotated Anodyne COC1=CC(=O)O[C@]2(/C=C/c3ccc(C(C)(C)C)cc3)[C@H]1[C@H](c1ccc(C(C)(C)C)cc1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000082152193 KK Annotated Anodyne COc1cc(O)c([C@@H](/C=C/C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152292 KK Annotated Mild COc1cc(O)c([C@H](/C=C/C[C@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152295 KK Annotated Mild COc1cc(O)c([C@@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152296 KK Annotated Mild COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152298 KK Annotated Mild COc1cc(O)c([C@@H](/C=C/C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152299 KK Annotated Mild COc1cc(O)c([C@H](/C=C/C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152302 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152304 KK Annotated Mild COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000082152305 KK Annotated Mild in-vitro biogenic O=S(=O)(c1ccc(Br)cc1)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 ZINC000082152561 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1 ZINC000082152625 KK Annotated Anodyne Clc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1 ZINC000082152628 KK Annotated Anodyne Clc1ccc2nc(-c3ccc(Oc4c(-c5ccccc5)nc5ccc(Cl)cc5c4-c4ccccc4)cc3)cc(-c3ccccc3)c2c1 ZINC000082152630 KK Annotated Anodyne Cc1ccc(-c2nc3ccc(Cl)cc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1 ZINC000082152631 KK Annotated Anodyne Clc1ccc(-c2nc3ccc(Cl)cc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1 ZINC000082152634 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082152735 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082152739 KK Annotated Anodyne COc1ccc2c(c1)C[C@@H]1[C@H](/C=C/c3ccc(Br)cc3)c3cc(OC)ccc3O[C@]1(c1ccc(Br)cc1)O2 ZINC000082152855 KK Annotated Anodyne CCN(Cc1ccccc1)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccccc1F ZINC000082152882 KK Annotated Anodyne Cc1cc(=O)c2c(C)cc3c(c2o1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000082152907 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCO[C@@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082152940 KK Annotated Mild COc1cc(/C=C/c2ccc3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000082152947 KK Annotated Anodyne COc1cc(/C=C/c2cc(F)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc(O)c1C/C=C(\C)CCC=C(C)C ZINC000082152950 KK Annotated Anodyne CN(C)CCN1CCN(C(=O)c2cc(C(C)(C)C)sc2NC(=O)Nc2ccc(F)c(Cl)c2Cl)CCC1=O ZINC000082153061 KK Annotated Anodyne O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000082153068 KK Annotated Anodyne CCCCN(CCCC)c1ccc(-c2ccc(/C=C/c3cccc(/C=C/c4ccc(-c5ccc(N(CCCC)CCCC)s5)s4)[n+]3C)s2)s1 ZINC000082153110 KK Annotated Anodyne O=C(N[C@H]1c2ccccc2OCC/C=C/COc2cccc3c2[C@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000082153227 KK Annotated Anodyne C=CCCOc1ccccc1[C@H](NC(=O)c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)c3ccccc3)c3c(cccc3OCC=C)CN2C1 ZINC000082153228 KK Annotated Mild CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082153328 KK Annotated Anodyne CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082153331 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082153335 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)C1 ZINC000082153339 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCCCC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153345 KK Annotated Anodyne Cc1noc2c(C(c3ccc(Cl)cc3)c3c(-c4ccccc4)c[n+]([O-])c4c(C)noc34)c(-c3ccccc3)c[n+]([O-])c12 ZINC000082153426 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153431 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153435 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153437 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153485 KK Annotated Anodyne N#CCCN(CCC#N)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082153526 KK Annotated Mild CCOC(=O)Nc1nc(NCCCCN(CC)CC)c2c(n1)S[C@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153688 KK Annotated Anodyne CCOC(=O)Nc1nc(NCCCCN(CC)CC)c2c(n1)S[C@@H](c1ccccc1)C(c1ccccc1)=N2 ZINC000082153690 KK Annotated Anodyne CC(C)CCN(Cc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000082153703 KK Annotated Anodyne COc1cc2c(c3oc4ccc(C#N)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082153728 KK Annotated Mild CCOC(=O)Nc1cc(N[C@H](C)CCCN(CC)CC)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000082153901 KK Annotated Anodyne CCOC(=O)Nc1cc(N[C@@H](C)CCCN(CC)CC)c2nc(-c3ccco3)c(-c3ccco3)nc2n1 ZINC000082153903 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082153938 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082153940 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082154007 KK Annotated Mild CCCc1ccc(-c2cn([C@@H]3C[C@H](O)[C@@]4(C)CC[C@H]5[C@@H](CC[C@H]6C[C@@H](OC(C)=O)CC[C@@]65C)[C@H]34)nn2)cc1 ZINC000082154031 KK Annotated Anodyne COc1cccc2c1C[C@@H]1[C@H](/C=C/c3ccc(Br)cc3)c3c(OC)cccc3O[C@]1(c1ccc(Br)cc1)O2 ZINC000082154072 KK Annotated Anodyne COc1cccc2c1C[C@@H]1[C@H](/C=C/c3ccc(Cl)cc3)c3c(OC)cccc3O[C@]1(c1ccc(Cl)cc1)O2 ZINC000082154074 KK Annotated Anodyne O=C(N[C@H]1c2ccccc2C/C=C/COc2cccc3c2[C@@H](OC(=O)c2ccccc2)[C@@H]2C[C@@H](CN2C3)OC(=O)[C@@H]1O)c1ccccc1 ZINC000082154133 KK Annotated Anodyne O=S(=O)(c1ccc(Br)cc1)c1ccc(-c2n[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)cc1 ZINC000082154338 KK Annotated Anodyne COc1cc(-n2c(-c3ccc(S(=O)(=O)c4ccc(Br)cc4)cc3)n[nH]c2=S)cc(OC)c1OC ZINC000082154346 KK Annotated Anodyne CCCCCS(=O)(=O)NC(=O)CCc1cc(C(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000082154350 KK Annotated Anodyne CCCCCS(=O)(=O)NC(=O)CCc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl ZINC000082154355 KK Annotated Anodyne COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)cc1 ZINC000082154529 KK Annotated Anodyne COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082154595 KK Annotated Mild COc1ccccc1CCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082154603 KK Annotated Mild C[C@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082154632 KK Annotated Mild C[C@@H]1[C@@H](NC(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc(C#N)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082154634 KK Annotated Mild C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@@H](OC(=O)c4ccccc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000082154764 KK Annotated Mild CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@@H](O)/C=C(\C)C(=O)C[C@H]1C(C)(C)C(=O)C=C[C@]1(C)O ZINC000082154852 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082154946 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCOC[C@@H]1CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082154948 KK Annotated Mild COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082155036 KK Annotated Bother O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(C(c2ccccc2)c2ccccc2)CC1 ZINC000082155097 KK Annotated Anodyne O=C(CN1CCCC(c2ccc(F)cc2)(c2ccc(F)cc2)C1=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000082155162 KK Annotated Anodyne C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc4c(c3)[C@@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000082155185 KK Annotated Reactive C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc4c(c3)[C@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000082155186 KK Annotated Reactive COc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1 ZINC000082155190 KK Annotated Anodyne COc1ccc2c(-n3c(=O)n(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(C(F)(F)F)ccc43)noc2c1 ZINC000082155192 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4C(=O)N(C5CCCCC5)[C@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082155238 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@@H]4C(=O)N(C5CCCCC5)[C@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082155241 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4C(=O)N(C5CCCCC5)[C@@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082155244 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@@H]4C(=O)N(C5CCCCC5)[C@@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082155247 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@H]3C(=O)N(C4CCCCC4)[C@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082155248 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@@H]3C(=O)N(C4CCCCC4)[C@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082155251 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@H]3C(=O)N(C4CCCCC4)[C@@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082155254 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@@H]3C(=O)N(C4CCCCC4)[C@@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082155256 KK Annotated Mild Cc1ccc(-c2c[n+]([O-])c3c(C)noc3c2C(c2ccccc2)c2c(-c3ccc(C)cc3)c[n+]([O-])c3c(C)noc23)cc1 ZINC000082155274 KK Annotated Anodyne COc1ccc(-c2c[n+]([O-])c3c(C)noc3c2C(c2ccccc2)c2c(-c3ccc(OC)cc3)c[n+]([O-])c3c(C)noc23)cc1 ZINC000082155276 KK Annotated Anodyne Cc1noc2c(C(c3ccccc3)c3c(-c4ccccc4O)c[n+]([O-])c4c(C)noc34)c(-c3ccccc3O)c[n+]([O-])c12 ZINC000082155278 KK Annotated Anodyne Cc1noc2c(C(c3ccccc3)c3c(-c4ccc(Cl)cc4)c[n+]([O-])c4c(C)noc34)c(-c3ccc(Cl)cc3)c[n+]([O-])c12 ZINC000082155280 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H]2CC[C@H](C(C)(C)O)OC2)[C@@]1(C)C[C@H]3O ZINC000082155330 KK Annotated Anodyne Clc1cccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)c1 ZINC000082155353 KK Annotated Anodyne Brc1cccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)c1 ZINC000082155354 KK Annotated Anodyne CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(=N\Nc1ccc(Br)cc1)Sc1ccccc1 ZINC000082155935 KK Annotated Reactive O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000082155940 KK Annotated Anodyne Cc1noc2c(C(c3ccccc3)c3c(-c4ccc([N+](=O)[O-])cc4)c[n+]([O-])c4c(C)noc34)c(-c3ccc([N+](=O)[O-])cc3)c[n+]([O-])c12 ZINC000082155949 KK Annotated Bother CC(=O)O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@@H](O)/C=C(\C)[C@@H](O)C[C@@H]1C(C)=CCC(=O)C1(C)C ZINC000082155999 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@@H]4C(=O)N(c5ccc(C)cc5)[C@@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082156034 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@@H]4C(=O)N(c5ccc(C)cc5)[C@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082156038 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4C(=O)N(c5ccc(C)cc5)[C@@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082156042 KK Annotated Mild COc1ccc(/C=C/C(=O)c2ccc(OCc3cn([C@H]4C(=O)N(c5ccc(C)cc5)[C@H]4/C=C/c4ccccc4)nn3)cc2)cc1 ZINC000082156045 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@@H]3C(=O)N(c4ccc(C)cc4)[C@@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082156050 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@@H]3C(=O)N(c4ccc(C)cc4)[C@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082156052 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@H]3C(=O)N(c4ccc(C)cc4)[C@@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082156054 KK Annotated Mild COc1ccccc1/C=C/C(=O)c1ccc(OCc2cn([C@H]3C(=O)N(c4ccc(C)cc4)[C@H]3/C=C/c3ccccc3)nn2)cc1 ZINC000082156057 KK Annotated Mild FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccc(Cl)c(Cl)c3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000082156201 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3ccc(Cl)c(Cl)c3)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000082156206 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3ccc(Cl)cc3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000082156209 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3ccc(Cl)cc3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000082156212 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@@H](c3c(Cl)cccc3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000082156216 KK Annotated Anodyne FC(F)(F)c1cc([C@@H]2O[C@H](c3c(Cl)cccc3Cl)N3CCCC[C@H]23)c2cccc(C(F)(F)F)c2n1 ZINC000082156219 KK Annotated Anodyne COc1cc2c(cc1OCCCCCCN1c3cccc4cccc(c34)S1(=O)=O)N=C[C@@H]1CCCN1C2=O ZINC000082156234 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCO[C@@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082156353 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCO[C@@H]1CCC[C@H]1CO[P@@](=O)(O)OCC[N+](C)(C)C ZINC000082156357 KK Annotated Mild COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082156399 KK Annotated Bother COc1cc2c(c3oc4ccccc4/c(=N\O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000082156407 KK Annotated Bother CCCc1ccc(-c2cn([C@@H]3CC(=O)[C@@]4(C)CC[C@H]5[C@@H](CC[C@H]6C[C@@H](OC(C)=O)CC[C@@]65C)[C@H]34)nn2)cc1 ZINC000082156689 KK Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4ccccc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000082156696 KK Annotated Mild C[C@H](NC(=O)[C@@H](NC(=O)C(C)(C)N)[C@@H](C)c1ccc(OCC(F)(F)F)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000082156927 KK Annotated Anodyne COc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1OC ZINC000082157163 KK Annotated Anodyne COc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1OC ZINC000082157165 KK Annotated Anodyne CCOc1cccc([C@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1 ZINC000082157166 KK Annotated Anodyne CCOc1cccc([C@@H]2O[C@@H](c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)[C@H]3CCCCN23)c1 ZINC000082157169 KK Annotated Anodyne COc1ccc2c(-n3c(=O)n(Cc4cc([C@@]5(C)OC(=O)NC5=O)ccc4Cl)c4cc(C(F)(F)F)ccc43)noc2c1 ZINC000082157206 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C#N)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082157500 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc([N+](=O)[O-])cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082157502 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(N)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082157504 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082157506 KK Annotated Mild CCN1CCN(C[C@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157518 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157520 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157522 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(C)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082157524 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1C/C=C1/C(=O)OC[C@H]1O ZINC000082157606 KK Annotated Mild Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2N(C)S(C)(=O)=O)c1 ZINC000082157627 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157661 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157663 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157664 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157665 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157667 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157668 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157671 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000082157672 KK Annotated Anodyne COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccc(Br)cc34)c3ccc(F)cc32)cc1 ZINC000082157742 KK Annotated Reactive COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccc(Br)cc34)c3cc(OC)ccc32)cc1 ZINC000082157745 KK Annotated Reactive CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4F)c4ccccc4c3=O)CC2)c1 ZINC000082157813 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2N(C)S(C)(=O)=O)c1 ZINC000082157905 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000082157909 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000082157910 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000082157911 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 ZINC000082157912 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000082157918 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](NC(=O)C(C)(C)N)C(=O)N[C@@H](c1ccncc1)c1ccc(Cl)cc1 ZINC000082157919 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Cl)cc3Cl)ccc2N(C)S(C)(=O)=O)c1 ZINC000082157998 KK Annotated Anodyne O=C(O)Cc1cccc(-n2nc(C3CCCC3)cc2NC(=O)Nc2nc(CCOCc3ccccc3)cs2)c1 ZINC000082158120 KK Annotated Anodyne CCCCCS(=O)(=O)NC(=O)/C=C/c1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl ZINC000082158163 KK Annotated Anodyne COc1cc2c(=O)c(-c3noc(CCc4ccccc4)n3)cn(Cc3ccc(Cl)cc3)c2cc1OC ZINC000082158240 KK Annotated Anodyne O=C1N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000082158309 KK Annotated Anodyne O=C1N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000082158310 KK Annotated Anodyne O=C1N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000082158311 KK Annotated Anodyne O=C1N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000082158312 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nnc(C(F)(F)F)s5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000082158445 KK Annotated Anodyne COc1ccc(C2(N[C@@H]3CC[C@H](C(=O)N4CCN(c5nnc(Br)s5)CC4)[C@@H](c4ccsc4)C3)CCC2)cc1 ZINC000082158446 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C=O ZINC000082158452 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O ZINC000082158453 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCC(=O)O ZINC000082158454 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158859 KK Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158860 KK Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158861 KK Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082158914 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccccc3F)n2)cc1OC ZINC000082159063 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082159085 KK Annotated Anodyne Cc1ccc(CNc2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082159087 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159102 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)c2cnc(NC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159105 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000082159114 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)c(-c3ccc(-c4ccccc4)cc3)n2)CC1 ZINC000082159117 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159186 KK Annotated Mild C[C@@H]1[C@@H](Nc2ncc(C(=O)N(CCC#N)CCC#N)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159187 KK Annotated Mild C[C@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159226 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159227 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159228 KK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000082159259 KK Annotated Anodyne CC1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000082159260 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000082159350 KK Annotated Anodyne CC(=O)N1CCN(C(=O)c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)CC1 ZINC000082159351 KK Annotated Anodyne CCN(C)C(=O)c1cnc(N(C)CCc2ccc(OC)c(OC)c2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159362 KK Annotated Anodyne COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082159437 KK Annotated Mild COc1cccc(OC)c1CNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000082159438 KK Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000082159458 KK Annotated Mild CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc(C#N)cc1 ZINC000082159459 KK Annotated Mild CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(C#N)cc1 ZINC000082159465 KK Annotated Mild COc1ccc(CCN(C)c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082159481 KK Annotated Mild CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159791 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159792 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000082159793 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159801 KK Annotated Mild CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159802 KK Annotated Mild CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159803 KK Annotated Mild CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(C#N)cc2)C1 ZINC000082159804 KK Annotated Mild Cc1ccc(CCNc2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082159850 KK Annotated Bother CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082159909 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccccc1F ZINC000082159910 KK Annotated Anodyne CCN(Cc1cccc(C)c1)C(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccccc1F ZINC000082159925 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159949 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCc3ccccc3C(F)(F)F)c(-c3ccccc3F)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082159953 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)cc1OC ZINC000082159991 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3F)n2)cc1OC ZINC000082159992 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)cc1OC ZINC000082159993 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](CC)CC[C@@H]3C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082160122 KK Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](CC)CC[C@@H]3C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082160124 KK Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](CC)CC[C@H]3C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082160125 KK Annotated Mild CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](CC)CC[C@H]3C)c(-c3ccc(C#N)cc3)n2)cc1OC ZINC000082160126 KK Annotated Mild COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccccc3)s2)cc1 ZINC000082162470 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccccc3)s2)c1 ZINC000082162491 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3)s2)c1 ZINC000082162660 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3)s2)c1 ZINC000082162663 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccccc3)s2)c1 ZINC000082162699 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccccc3)s2)cc1 ZINC000082162723 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccccc3)s2)cc1Cl ZINC000082162776 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccccc3)s2)cc1 ZINC000082163101 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3ccccc3)s2)cc1 ZINC000082163120 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3ccccc3)s2)cc1 ZINC000082163141 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163157 KK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2)nc1-c1ccccc1 ZINC000082163160 KK Annotated Anodyne FC(F)(F)Oc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163169 KK Annotated Anodyne FC(F)(F)Oc1cccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)c1 ZINC000082163178 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3)n2)cc1OC ZINC000082163179 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3)n2)cc1OC ZINC000082163186 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccccc3)s2)c1 ZINC000082163200 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccccc3)s2)c1 ZINC000082163212 KK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082163279 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccccc3)s2)c1 ZINC000082163296 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2)n1 ZINC000082163298 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163321 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccccc3)s2)c1 ZINC000082163352 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccccc3)n2)cc1 ZINC000082163373 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccccc3)s2)c1 ZINC000082163384 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3)n2)cc1 ZINC000082163386 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163401 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2nc3ccccc3s2)c1 ZINC000082163402 KK Annotated Bother CCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163415 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163424 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163441 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082163443 KK Annotated Bother COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163461 KK Annotated Bother COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163463 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163472 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163506 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163507 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163508 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163509 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163518 KK Annotated Bother CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163520 KK Annotated Bother Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163530 KK Annotated Bother Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163531 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163536 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163537 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082163545 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082163547 KK Annotated Bother Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163570 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163573 KK Annotated Bother CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163578 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163617 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163618 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163625 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082163640 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163650 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082163652 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163695 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163696 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163697 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3cccc([N+](=O)[O-])c3)s2)c1 ZINC000082163719 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163725 KK Annotated Bother COc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1OC ZINC000082163726 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163732 KK Annotated Bother COc1ccc(OC)c(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000082163733 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163738 KK Annotated Bother COc1cc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc(OC)c1 ZINC000082163740 KK Annotated Bother CCOc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163743 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(OCC)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163748 KK Annotated Bother CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163754 KK Annotated Bother CCc1cnc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163758 KK Annotated Bother Cc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163759 KK Annotated Bother CCc1cnc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163762 KK Annotated Bother Cc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)sc1C ZINC000082163763 KK Annotated Bother CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc([N+](=O)[O-])c2)s1 ZINC000082163766 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082163767 KK Annotated Bother CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163807 KK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163808 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163828 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163842 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCc3cccc(C(F)(F)F)c3)ncc2-c2nc3ccccc3s2)c1 ZINC000082163846 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000082163866 KK Annotated Bother COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163897 KK Annotated Bother COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163900 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163908 KK Annotated Bother COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000082163913 KK Annotated Bother Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000082163914 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)oc1C ZINC000082163921 KK Annotated Bother O=[N+]([O-])c1cccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082163927 KK Annotated Bother COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000082163928 KK Annotated Bother Fc1ccc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082164000 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(F)cc2)n1 ZINC000082164042 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082164047 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164061 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164101 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)o1 ZINC000082164106 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164218 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164220 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164224 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164228 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164264 KK Annotated Anodyne Fc1ccc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164268 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164310 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164315 KK Annotated Anodyne Fc1ccc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164452 KK Annotated Anodyne Fc1ccc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164456 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164611 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164614 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164616 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164626 KK Annotated Anodyne CCCSc1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1 ZINC000082164628 KK Annotated Mild C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164629 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(SC(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164630 KK Annotated Mild C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)C1 ZINC000082164632 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(SC(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164634 KK Annotated Mild OC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccc(F)cc3)n2)CC1 ZINC000082164658 KK Annotated Anodyne O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c([C@@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000082164660 KK Annotated Anodyne in-vitro O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082164663 KK Annotated Anodyne in-vitro O=C(O)CCC[C@H](/C=C/c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082164665 KK Annotated Anodyne in-vitro O=C(O)CCC[C@@H](/C=C/c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082164668 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c([C@@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000082164671 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c([C@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000082164674 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c([C@@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000082164677 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@H](c1ccccc1)c1c(O)c([C@H](/C=C/c2ccccc2)CCCC(=O)O)c(O)c2c1O[C@H](c1ccccc1)CC2=O ZINC000082164680 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082164683 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082164689 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000082164691 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/c3ccccc3)CCCC(=O)O)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000082164694 KK Annotated Anodyne in-vitro COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)c1OC ZINC000082164697 KK Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COCOC(C)=O ZINC000082164698 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164701 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164704 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccc(F)cc2)oc1C ZINC000082164706 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164707 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccccc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164708 KK Annotated Anodyne C[C@H](c1nc2ncccc2c(=O)n1-c1ccc(F)cc1)N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(C(F)(F)F)c(F)c1 ZINC000082164717 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)c1OC ZINC000082164719 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)c1 ZINC000082164721 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccc(F)cc2)oc1C ZINC000082164731 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)c1 ZINC000082164743 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COP(=O)(OCC)OCC ZINC000082164745 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000082164746 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccc(F)cc2)oc1C ZINC000082164753 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)cc(OC)c1 ZINC000082164757 KK Annotated Anodyne O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(-c3csnn3)cc2)Cc2ccc3cc(F)c(C(F)(F)P(=O)(O)O)cc3c2)cc1 ZINC000082164765 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082164772 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccc(F)cc2)oc1C ZINC000082164776 KK Annotated Anodyne COc1cc2c(cc1OCCCCCCOc1cccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)c1)N=C[C@@H]1CCCN1C2=O ZINC000082164778 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1ccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc1)N=C[C@@H]1CCCN1C2=O ZINC000082164781 KK Annotated Anodyne COc1cc2c(cc1OCCCCCOc1ccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc1)N=C[C@@H]1CCCN1C2=O ZINC000082164784 KK Annotated Anodyne COc1cc2c(cc1OCCCCCCOc1ccc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)cc1)N=C[C@@H]1CCCN1C2=O ZINC000082164785 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccc(F)cc2)oc1C ZINC000082164786 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164792 KK Annotated Bother CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164794 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082164795 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(F)cc2)oc1C ZINC000082164798 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc4ccccc4s3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082164799 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164800 KK Annotated Bother CCN1CCN(C[C@@H]2S[C@H](c3ccccc3[N+](=O)[O-])N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164803 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(F)cc3)n2)cc1OC ZINC000082164805 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)/C(=N/OCc5ccccc5)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)CO ZINC000082164818 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164821 KK Annotated Anodyne C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCC(=O)O ZINC000082164823 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(S(=O)(=O)C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164827 KK Annotated Mild Cc1ccc(C([C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000082164835 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082164836 KK Annotated Anodyne Cc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000082164837 KK Annotated Anodyne COc1ccc(C([C@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000082164842 KK Annotated Anodyne COc1ccc(C([C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000082164844 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(Br)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164851 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(I)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164852 KK Annotated Mild Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@H]2C(c1ccc(Cl)cc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000082164865 KK Annotated Anodyne Cc1noc2c1N=C(c1ccccc1)C[C@H](c1ccccc1)[C@@H]2C(c1ccc(Cl)cc1)[C@@H]1c2onc(C)c2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000082164867 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000082164873 KK Annotated Anodyne Cc1noc2c1N=C(c1ccco1)C[C@H](c1ccccc1)[C@@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccco2)C[C@@H]1c1ccccc1 ZINC000082164876 KK Annotated Anodyne C=C(C(=O)[C@H](OC(=O)CCC(=O)O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CCC(=O)O ZINC000082164884 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COS(=O)(=O)O ZINC000082164886 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCCN4CCOCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082164890 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCCN4CCCCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082164893 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCCN4CCN(C)CC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082164895 KK Annotated Mild Fc1ccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082164898 KK Annotated Anodyne CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCO)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCCO)C2 ZINC000082164903 KK Annotated Anodyne Cc1noc2c1N=C(c1cccs1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2cccs2)C[C@@H]1c1ccccc1 ZINC000082164911 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164915 KK Annotated Anodyne CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1ccccc1C[C@H]1c3cc(-c4ccccn4)ncc3[C@H]3C[C@@H]1C3(C)C)c1cc(-c3ccccn3)ncc12 ZINC000082164924 KK Annotated Anodyne COc1cc(F)c(C(C)C)cc1-c1ccc(C2=CCCC2)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164937 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(C(C)(C)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082164941 KK Annotated Mild CCN1CCN(C[C@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164944 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164947 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164950 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(F)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082164953 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@H](C(c3ccccc3)[C@@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000082164967 KK Annotated Anodyne Cc1ccc(C2=Nc3c(C)noc3[C@@H](C(c3ccccc3)[C@@H]3c4onc(C)c4N=C(c4ccc(C)cc4)C[C@@H]3c3ccccc3)[C@@H](c3ccccc3)C2)cc1 ZINC000082164970 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082164979 KK Annotated Anodyne O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082165019 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000082165020 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@H](c1ccccc1)CC2=O ZINC000082165024 KK Annotated Anodyne in-vitro O=C(O)CCC/C=C/[C@@H](c1ccccc1)c1c(O)c2c(c([C@H](/C=C/CCCC(=O)O)c3ccccc3)c1O)O[C@@H](c1ccccc1)CC2=O ZINC000082165026 KK Annotated Anodyne in-vitro COc1cc(F)c(C(C)C)cc1-c1ccc(S(C)(=O)=O)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082165038 KK Annotated Mild CCCS(=O)(=O)c1ccc(-c2cc(C(C)C)c(F)cc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)c1 ZINC000082165041 KK Annotated Mild COc1cc(F)c(C(C)C)cc1-c1ccc(S(=O)(=O)C(C)C)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C ZINC000082165044 KK Annotated Mild CCN1CCN(C[C@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165061 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165064 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165069 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082165073 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3cccc(F)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165074 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165079 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165082 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165086 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(Cl)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165090 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165094 KK Annotated Bother CCN1CCN(C[C@@H]2S[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165101 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccc(F)cc3)s2)cc1 ZINC000082165103 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165105 KK Annotated Bother CCN1CCN(C[C@@H]2S[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082165109 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccc(F)cc3)n2)cc1 ZINC000082165131 KK Annotated Anodyne C=CCOC[C@H](C)C(=C)C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C ZINC000082165135 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COP(=O)(O)O ZINC000082165137 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccc(F)cc3)s2)c1 ZINC000082165157 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CN(C)C ZINC000082165163 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)Nc1ccc(CC(=O)Nc2ccc(OCC(=O)O)c(CCC(=O)NCCCCCCCCCCCCN)c2)cc1 ZINC000082165173 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccccc4C(F)(F)F)nc3-c3ccco3)s2)cc1 ZINC000082165220 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)N2CCc3cc(OCCCCN4CCOCC4)ccc3C2=O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000082165299 KK Annotated Mild COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccco3)s2)c1 ZINC000082165301 KK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000082165307 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccco3)s2)c1 ZINC000082165534 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccco3)s2)c1 ZINC000082165536 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082165542 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082165545 KK Annotated Anodyne Cc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2C(c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccc(C)cc2)cc1 ZINC000082165559 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccco3)s2)c1 ZINC000082165592 KK Annotated Anodyne Clc1cccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)c1 ZINC000082165596 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccco3)s2)c1 ZINC000082165615 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccco3)s2)c1 ZINC000082165653 KK Annotated Anodyne Clc1ccc(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccco3)s2)cc1Cl ZINC000082165657 KK Annotated Anodyne CC(=O)N1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)CC1 ZINC000082165749 KK Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C1 ZINC000082165829 KK Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)C1 ZINC000082165832 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(OC)c4OC)nc3-c3ccco3)s2)cc1 ZINC000082165942 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)ccc4OC)nc3-c3ccco3)s2)cc1 ZINC000082165961 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cc(OC)cc(OC)c4)nc3-c3ccco3)s2)cc1 ZINC000082165983 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccco3)s2)c1 ZINC000082166064 KK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)c1 ZINC000082166066 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccco3)s2)c1 ZINC000082166086 KK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082166091 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccco3)s2)c1 ZINC000082166243 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccco3)s2)c1 ZINC000082166332 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccco3)s2)c1 ZINC000082166363 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4cc(OC)ccc4OC)s3)c(-c3ccco3)n2)cc1 ZINC000082166392 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccco3)n2)cc1 ZINC000082166427 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082166475 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3C(F)(F)F)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC ZINC000082166477 KK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166509 KK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166511 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCCOCCC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166523 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082166535 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166546 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000082166582 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166584 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)o3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166594 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C)o3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166607 KK Annotated Anodyne COc1cc(-c2nc(NC3CCCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166642 KK Annotated Anodyne COc1cc(-c2nc(NC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166660 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166662 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166665 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166668 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166670 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166696 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166700 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166703 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166707 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166745 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166747 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166750 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166752 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000082166785 KK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082166787 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCC3CCCCC3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082166794 KK Annotated Anodyne COc1cc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082166808 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166823 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082166827 KK Annotated Anodyne CCc1cnc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166830 KK Annotated Anodyne CCc1cnc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166831 KK Annotated Anodyne COc1cc(-c2nc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166834 KK Annotated Anodyne COc1cc(-c2nc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082166838 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCC4CC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000082166869 KK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082166891 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000082167071 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167111 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167113 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167115 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167136 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167141 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167143 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082167170 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082167172 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082167174 KK Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167188 KK Annotated Anodyne COc1cc(-c2nc(N3CCC(C)CC3)ncc2-c2ncc(-c3ccccc3)s2)cc(OC)c1OC ZINC000082167203 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1OC ZINC000082167206 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000082167209 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1 ZINC000082167213 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000082167218 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000082167220 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2ncc(C)o2)cc(OC)c1OC ZINC000082167224 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(F)c3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167229 KK Annotated Anodyne COc1cc(-c2nc(NCCc3cccc(F)c3)ncc2-c2nc3ccccc3s2)cc(OC)c1OC ZINC000082167230 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167235 KK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167263 KK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167264 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167268 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccccc3F)ncc2-c2nc(-c3ccccc3)c(C)o2)cc(OC)c1OC ZINC000082167273 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167280 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167286 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(C)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082167296 KK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167313 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167321 KK Annotated Anodyne COc1cc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082167324 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)s1 ZINC000082167327 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 ZINC000082167328 KK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cc(OC)c(OC)c(OC)c2)n1 ZINC000082167333 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082167350 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082167352 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2cccc(C)c2)n1 ZINC000082167374 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2cccc(C)c2)n1 ZINC000082167378 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3cccc(C)c3)s2)c1 ZINC000082167395 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082167397 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082167400 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082167402 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082167404 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082167406 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082167409 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082167424 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082167434 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000082167452 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000082167454 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082167458 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082167460 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082167481 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082167482 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3cccc(C)c3)s2)c1 ZINC000082167489 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000082167490 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3cccc(C)c3)s2)c1 ZINC000082167491 KK Annotated Anodyne Cc1ccc(NC(=S)N(Cc2ccccc2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1Cl ZINC000082167492 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3cccc(C)c3)s2)c1 ZINC000082167493 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3cccc(C)c3)s2)c1 ZINC000082167496 KK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082167511 KK Annotated Anodyne CNC(=S)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082167512 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082167514 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)NCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082167515 KK Annotated Anodyne Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@H]5[C@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)cc1 ZINC000082170178 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170257 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170260 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170264 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(OC)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000082170266 KK Annotated Anodyne Oc1ccc2ccccc2c1NCn1nc(CCCCCCCCc2nn(CNc3c(O)ccc4ccccc34)c(=S)o2)oc1=S ZINC000082170319 KK Annotated Anodyne S=c1sc2c(s1)SCCCCSCCCCSc1sc(=S)sc1SCCCCSCCCCS2 ZINC000082170347 KK Annotated Anodyne C1CCC2(CC1)OC[C@H]1O[C@H](O[C@H]3O[C@@H]4COC5(CCCCC5)O[C@H]4[C@@H]4OC5(CCCCC5)O[C@H]43)[C@@H]3OC4(CCCCC4)O[C@H]3[C@@H]1O2 ZINC000082170364 KK Annotated Anodyne CCOC(OCC)[C@@H]1C[C@@H]2N(O1)O[C@H](O[C@@H]1CCCC1(c1ccccc1)c1ccccc1)[C@H](OC(C)=O)[C@@]2(CC)Cc1ccc(OC)c(OC)c1 ZINC000082170372 KK Annotated Anodyne CCOC(OCC)[C@@H]1C[C@@H]2N(O1)O[C@H](O[C@H]1CCCC1(c1ccccc1)c1ccccc1)[C@H](OC(C)=O)[C@@]2(CC)Cc1ccc(OC)c(OC)c1 ZINC000082170373 KK Annotated Anodyne O=C1c2ccccc2/C(=N\c2ccc3ccccc3c2)[C@@]1(C1=C(c2ccccc2)/C(=N/c2ccc3ccccc3c2)c2ccccc21)c1ccccc1 ZINC000082170417 KK Annotated Mild Cc1ccc2nc3ccccc3c([C@@H]3[C@@H]4C(=O)N(c5ccc(Br)cc5Cl)C(=O)[C@H]4ON3[C@H](C(N)=O)c3ccccc3)c2c1 ZINC000082170421 KK Annotated Anodyne CCOc1cc([C@@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O ZINC000082170441 KK Annotated Bother CCOc1cc([C@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O ZINC000082170443 KK Annotated Bother COc1ccc(/C=C(/c2ccc(OC)cc2)c2c(Cl)cc(Cl)c(/C(=C\c3ccc(OC)cc3)c3ccc(OC)cc3)c2/N=N/c2ccccc2)cc1 ZINC000082170448 KK Annotated Clean Cc1cc(C)c(S(=O)(=O)N(CCCCCCN)OCCCON(CCCCCCN)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 ZINC000082170486 KK Annotated Anodyne COc1c(Sc2c(SCSc3cnc4ccccc4c3Sc3cnc4ccccc4c3OC)cnc3ccccc23)cnc2ccccc12 ZINC000082170560 KK Annotated Anodyne C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)[C@@H](C(=C)C)c2cc(C)c(o2)[C@H]1O[C@@H]1c2oc(cc2C)[C@H](C(=C)C)[C@H]2C=C(CC[C@H]1C(=C)C)C(=O)O2 ZINC000082170567 KK Annotated Mild CCOP(=O)(OCC)[C@H](Nc1ccc(C(=O)O)cc1)c1ccc([C@@H](Nc2ccc(C(=O)O)cc2)P(=O)(OCC)OCC)cc1 ZINC000082170584 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(C(=O)O)cc1)c1ccc([C@H](Nc2ccc(C(=O)O)cc2)P(=O)(OCC)OCC)cc1 ZINC000082170586 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(C(=O)O)cc1)c1ccc([C@H](Nc2ccc(C(=O)O)cc2)P(=O)(OCC)OCC)cc1 ZINC000082170590 KK Annotated Anodyne CO/N=C(\C(=O)O/C(=N/C1CCCCC1)NC1CCCCC1)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1 ZINC000082170600 KK Annotated Mild COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc(OC)c1OC ZINC000082170607 KK Annotated Anodyne COc1cc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)SCC(=O)N3c2nc3ccccc3s2)cc(OC)c1OC ZINC000082170610 KK Annotated Anodyne O=C(N/C(=C\c1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3c(O)[nH]c(=S)nc3[nH]2)cc1)c1nc2c(O)nc(S)nc2[nH]1)c1ccccc1 ZINC000082170635 KK Annotated Anodyne COc1cc(/C=C2/C(=O)N(C(=O)OC(C)C)[C@@H](Cc3cc(OC)c(OC)c(C)c3OC)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000082170645 KK Annotated Anodyne O=C(CC(O)(C(F)(F)F)C(F)(F)F)c1cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)cc(CC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1 ZINC000082170797 KK Annotated Mild COc1cc(/C=C2/C(=O)N(C(=O)OCc3ccccc3)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000082170825 KK Annotated Anodyne COc1cc(/C=C2/C(=O)N(C(=O)OCc3ccccc3)[C@@H](Cc3cc(OC)c(OC)c(C)c3OC)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000082170828 KK Annotated Anodyne CCCCCCCCCCCCn1c(=O)cc(NCCCC)c2cc3c(NCCCC)cc(=O)n(CCCCCCCCCCCC)c3nc21 ZINC000082170860 KK Annotated Mild CN(CCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2)CCCNC(=O)c1nn(-c2ccccc2)c2c1Cc1ccccc1-2 ZINC000082170914 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082170948 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](N2C(=O)/C(=N\NC(N)=S)c3ccc([N+](=O)[O-])cc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082170952 KK Annotated Mild O=S(=O)(/N=C(\O)SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC(Cl)(Cl)Cl ZINC000082171013 KK Annotated Mild COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@@H](CC(=O)O)S[C@H]4c4cccs4)cc3)cs2)ccc1Cl ZINC000082171089 KK Annotated Clean COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@@H](CC(=O)O)S[C@@H]4c4cccs4)cc3)cs2)ccc1Cl ZINC000082171093 KK Annotated Clean COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@H](CC(=O)O)S[C@H]4c4cccs4)cc3)cs2)ccc1Cl ZINC000082171094 KK Annotated Clean COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@H](CC(=O)O)S[C@@H]4c4cccs4)cc3)cs2)ccc1Cl ZINC000082171096 KK Annotated Clean CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082171789 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2ccccc2F)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082171790 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082171801 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)CCc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082171805 KK Annotated Anodyne CC1(C)C[C@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082171820 KK Annotated Anodyne CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)COc2ccccc2)c2cc(C(=O)NC3CCCCC3)ccc2O1 ZINC000082171821 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082171936 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082171938 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082171987 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082171990 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172008 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172011 KK Annotated Anodyne COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082172021 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082172024 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082172026 KK Annotated Mild COCCCN(/C(S)=N/c1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082172027 KK Annotated Mild CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172124 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172127 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172129 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172132 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172137 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172140 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172142 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082172144 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172187 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 ZINC000082172191 KK Annotated Anodyne COCCCN(C(=S)Nc1ccc(C)c(Cl)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082172245 KK Annotated Anodyne COCCCN(C(=S)Nc1ccc(C)c(Cl)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082172247 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)Nc1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000082172248 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)Nc1ccc(C)c(Cl)c1)CC(C)(C)O2 ZINC000082172251 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172383 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172384 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172395 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172397 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000082172399 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000082172402 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000082172404 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000082172407 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172418 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172420 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172437 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172440 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082172442 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082172444 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082172446 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082172448 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172450 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172452 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172511 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172513 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172515 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172518 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172528 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172530 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000082172532 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3N)cc21 ZINC000082172535 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000082172539 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3F)cc21 ZINC000082172541 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172553 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082172556 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172567 KK Annotated Anodyne COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCc3ccccc3)cc21 ZINC000082172569 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172879 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172881 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172883 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172884 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172899 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172903 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172907 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=S)Nc1cccc(C)c1)CC(C)(C)O2 ZINC000082172911 KK Annotated Anodyne Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000082172919 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000082172921 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000082172923 KK Annotated Mild Cc1cccc(/N=C(\S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N[C@@H](C)CN(C)C)cc32)c1 ZINC000082172925 KK Annotated Mild Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000082172964 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000082172966 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000082172967 KK Annotated Anodyne Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN4CCCC4)cc32)cc1 ZINC000082172968 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082172995 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3CCCC[C@@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082172996 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082172998 KK Annotated Anodyne Cc1cccc(-c2nc(N[C@H]3CCCC[C@H]3C)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173001 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082173035 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082173037 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082173040 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Nc1cccc(SC)c1)CC(C)(C)O2 ZINC000082173045 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173070 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173073 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173168 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000082173217 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000082173220 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000082173223 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)Cc1cccc(OC)c1)CC(C)(C)O2 ZINC000082173226 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173426 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173428 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173430 KK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173439 KK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173441 KK Annotated Anodyne Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173443 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)c1OC ZINC000082173501 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2cccc(C)c2)oc1C ZINC000082173508 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc(C)c3)n2)c1OC ZINC000082173520 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)c1 ZINC000082173523 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2cccc(C)c2)oc1C ZINC000082173530 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000082173542 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2cccc(C)c2)oc1C ZINC000082173548 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc(C)c3)n2)cc(OC)c1 ZINC000082173558 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173582 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccc(OC(F)(F)F)cc3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173584 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2cccc(C)c2)oc1C ZINC000082173590 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3cccc(OC(F)(F)F)c3)ncc2-c2nc(-c3ccccc3)c(C)o2)c1 ZINC000082173601 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2cccc(C)c2)oc1C ZINC000082173606 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082173615 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2cccc(C)c2)oc1C ZINC000082173623 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3cccc(C)c3)n2)cc1OC ZINC000082173632 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173653 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3cccc(C)c3)s2)c1 ZINC000082173680 KK Annotated Anodyne Cc1cccc(-c2nc(NCc3ccccc3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082173750 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000082173771 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000082173775 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3cccc(C)c3)s2)c1 ZINC000082173777 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000082173778 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 ZINC000082173782 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000082173785 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000082173790 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000082173792 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC(C)(C)Oc3ccc(C(=O)NC[C@@H]4CCCO4)cc32)c1 ZINC000082173797 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3cccc(C)c3)s2)c1 ZINC000082173803 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173847 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3cccc(C)c3)n2)cc1 ZINC000082173851 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3cccc(C)c3)s2)cc1 ZINC000082173933 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3cccc(C)c3)s2)c1 ZINC000082173988 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3C(F)(F)F)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174017 KK Annotated Bother CCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174046 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174071 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174101 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NC3CCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082174105 KK Annotated Bother COCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174145 KK Annotated Bother COCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174149 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174169 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174232 KK Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082174233 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174235 KK Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082174237 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174238 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174241 KK Annotated Bother Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082174248 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCCN2CCCC2=O)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082174251 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082174259 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082174261 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174268 KK Annotated Bother CC(C)CN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174272 KK Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082174295 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174296 KK Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)c1ccccc1F)CC(C)(C)O2 ZINC000082174298 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174300 KK Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082174310 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174312 KK Annotated Bother CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174314 KK Annotated Bother CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCN1CCCC1=O)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082174316 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082174332 KK Annotated Bother C[C@@H]1[C@@H](Nc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082174334 KK Annotated Bother Cc1oc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174376 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174383 KK Annotated Bother CC(C)(C)c1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082174393 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@@H]4CCCO4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174474 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NC[C@H]4CCCO4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174477 KK Annotated Bother CCCCCc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174491 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000082174536 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(N3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082174541 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174636 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174638 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174640 KK Annotated Bother CCc1cnc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc([N+](=O)[O-])cc2)s1 ZINC000082174644 KK Annotated Bother COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000082174646 KK Annotated Bother CC1(C)O[C@@H](CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)[C@H](CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1 ZINC000082174717 KK Annotated Reactive CC[C@@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174728 KK Annotated Bother CC[C@H](C)Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174731 KK Annotated Bother COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/c5ccccc5[N+](=O)[O-])N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082174767 KK Annotated Clean Cc1ccc(S(=O)(=O)N(CCNC(=O)c2cccc(O)c2O)c2cc3c4c(c2)Oc2cccc5c2C4(C)c2c(cccc2O3)O5)cc1 ZINC000082174778 KK Annotated Clean CCCCCc1nc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174798 KK Annotated Bother COc1cc(/C=C2/C(=O)N(C(=O)OCC(C)C)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000082174799 KK Annotated Anodyne COc1cc(/C=C2/C(=O)N(C(=O)OCC(C)C)[C@@H](Cc3cc(OC)c(OC)c(C)c3OC)C(=O)N2Cc2ccccc2)c(OC)c(C)c1OC ZINC000082174803 KK Annotated Anodyne c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc23)cc1 ZINC000082174825 KK Annotated Reactive COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174827 KK Annotated Bother COCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174856 KK Annotated Bother COc1ccccc1CCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174858 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174867 KK Annotated Bother COc1ccccc1CCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000082174876 KK Annotated Bother Cc1oc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000082174879 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082174885 KK Annotated Bother COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000082174912 KK Annotated Bother Fc1ccccc1-c1nc(NCc2ccccc2C(F)(F)F)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082174963 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2F)n1 ZINC000082175014 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175020 KK Annotated Anodyne C/C=C1/CN2CC[C@@H]3c4ccccc4N4[C@H](C(=O)OC)[C@H]1C[C@H]2[C@]34/C=C/C1=COC[C@H]2[C@@H]3Cc4c(n(C)c5ccccc45)[C@H](C[C@@H]12)N3C ZINC000082175034 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccccc3F)s2)cc1 ZINC000082175042 KK Annotated Anodyne CCOc1cc([C@@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000082175078 KK Annotated Bother CCOc1cc([C@H]2CC(c3ccc(NS(=O)(=O)c4cc([N+](=O)[O-])ccc4C)cc3)=NN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)ccc1O ZINC000082175081 KK Annotated Bother COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)o4)nc3-c3ccccc3F)s2)c1 ZINC000082175100 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)o1 ZINC000082175106 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)/C(=C/C=C/c5ccccc5)N=C4c4ccccc4)cc3)cs2)ccc1Cl ZINC000082175112 KK Annotated Clean Nc1ccc(Cc2ccc(/N=C\c3ccc(OCc4cccc(COc5ccc(/C=N\c6ccc(Cc7ccc(N)cc7)cc6)cc5)n4)cc3)cc2)cc1 ZINC000082175143 KK Annotated Mild N#CCCN(CCCN(C(=O)Nc1ccc(NC(=O)N(CCCN(CCC#N)C(N)=O)c2ccccc2)cc1)c1ccccc1)C(N)=O ZINC000082175232 KK Annotated Mild COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccccc3F)s2)c1 ZINC000082175262 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccccc3F)s2)c1 ZINC000082175264 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccccc3F)s2)c1 ZINC000082175266 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccccc3F)s2)c1 ZINC000082175269 KK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175282 KK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175285 KK Annotated Anodyne O=S(=O)(c1ccc(I)cc1)N(c1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000082175286 KK Annotated Mild C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175288 KK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2F)n1 ZINC000082175293 KK Annotated Anodyne COc1cc(/C=C2\[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H](C(=O)N2Cc2ccccc2)N3C(=O)OCC(C)C)c(OC)c(C)c1OC ZINC000082175303 KK Annotated Anodyne COc1ccc(/N=N/C(=N/NC(=O)c2cc(Cl)ccc2C(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 ZINC000082175331 KK Annotated Reactive COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccccc3F)s2)c1 ZINC000082175346 KK Annotated Anodyne Fc1ccccc1-c1nc(NCC2CCCCC2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175350 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/NC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000082175390 KK Annotated Reactive CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C/C(=N/NC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C=C(C)[C@]4(C)[C@H]3CC[C@]12C ZINC000082175392 KK Annotated Reactive COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@H]4C)C5(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000082175397 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3F)s2)cc1 ZINC000082175398 KK Annotated Anodyne O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1[C@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccccc2O)N=C1c1ccccc1)S3 ZINC000082175438 KK Annotated Anodyne O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccccc2O)N=C1c1ccccc1)S3 ZINC000082175441 KK Annotated Anodyne O=C1/C(=C/c2ccccc2O)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@@H](N1C(=O)/C(=C/c2ccccc2O)N=C1c1ccccc1)S3 ZINC000082175445 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4cccc(Cl)c4)nc3-c3ccccc3F)s2)cc1 ZINC000082175454 KK Annotated Anodyne C=CCN1C(=O)C[C@H](Cc2ccccc2)NC(=O)C[C@H](Cc2ccccc2)N(CC=C)C(=O)C[C@H](Cc2ccccc2)NC(=O)C[C@@H]1Cc1ccccc1 ZINC000082175458 KK Annotated Mild COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCCCOc2nc(Nc3ccc(C#N)c(OCC=C(C)C)c3)nc(OC)n2)n1 ZINC000082175466 KK Annotated Mild COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccccc3F)s2)cc1 ZINC000082175484 KK Annotated Anodyne CC(C)(C)c1cc(COc2c3sc(=S)sc3c(OCc3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3sc(=S)sc23)cc(C(C)(C)C)c1 ZINC000082175493 KK Annotated Anodyne CCO[P@@](=O)(O)[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc([C@H](Nc2ccc(/N=N/c3ccccc3)cc2)[P@](=O)(O)OCC)c1 ZINC000082175575 KK Annotated Clean Fc1ccccc1-c1nc(NC[C@@H]2CCCO2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175598 KK Annotated Anodyne Fc1ccccc1-c1nc(NC[C@H]2CCCO2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175600 KK Annotated Anodyne O=C(CNCc1cccc(C(F)(F)F)c1)Nc1cccc2c1C(=O)c1c(NC(=O)CNCc3cccc(C(F)(F)F)c3)cccc1C2=O ZINC000082175668 KK Annotated Clean COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccccc3F)s2)c1 ZINC000082175782 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccccc3F)s2)c1 ZINC000082175784 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccccc3F)s2)c1 ZINC000082175786 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175791 KK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175793 KK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)C1 ZINC000082175795 KK Annotated Anodyne OC1CCN(c2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3F)n2)CC1 ZINC000082175811 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccccc2F)oc1C ZINC000082175833 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)c1OC ZINC000082175843 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)c1 ZINC000082175845 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccccc2F)oc1C ZINC000082175852 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000082175864 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccccc2F)oc1C ZINC000082175869 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc(OC)c1 ZINC000082175877 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082175890 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2F)oc1C ZINC000082175894 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2F)oc1C ZINC000082175902 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3F)n2)cc1OC ZINC000082175909 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccccc2F)oc1C ZINC000082175913 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3F)n2)cc1OC ZINC000082175919 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccccc3F)s2)cc1 ZINC000082175933 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccccc3F)s2)cc1 ZINC000082175948 KK Annotated Anodyne Fc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082175997 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccccc3F)s2)c1 ZINC000082176016 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccccc3F)s2)c1 ZINC000082176072 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccccc3F)s2)cc1 ZINC000082176136 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccccc3F)s2)cc1 ZINC000082176152 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccccc3F)n2)cc1 ZINC000082176174 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccccc3F)s2)c1 ZINC000082176192 KK Annotated Anodyne CCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176241 KK Annotated Anodyne CCCOCCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176246 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176260 KK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176262 KK Annotated Anodyne Fc1ccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176271 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)o1 ZINC000082176310 KK Annotated Anodyne COCCCNc1ncc(-c2ncc(-c3ccc(OC)cc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176329 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176352 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176353 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176355 KK Annotated Anodyne Cc1oc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176358 KK Annotated Anodyne C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176409 KK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176410 KK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176412 KK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176413 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N(C)CC(C)C)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000082176428 KK Annotated Anodyne Cc1oc(-c2cnc(NCC3CCCCC3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176431 KK Annotated Anodyne c1ccc(-c2ccc(-c3nc(NCC4CCCCC4)ncc3-c3ncc(-c4ccccc4)s3)cc2)cc1 ZINC000082176450 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176461 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176463 KK Annotated Anodyne C[C@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082176466 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082176468 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176503 KK Annotated Anodyne Clc1cccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000082176504 KK Annotated Anodyne CC(C)(C)c1ccc(CNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176517 KK Annotated Anodyne CCc1cnc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176520 KK Annotated Anodyne Cc1nc(-c2cnc(NCc3ccc(C(C)(C)C)cc3)nc2-c2ccc(-c3ccccc3)cc2)sc1C ZINC000082176522 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4CCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)c1 ZINC000082176541 KK Annotated Anodyne c1ccc(OCCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176555 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCCC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000082176661 KK Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176663 KK Annotated Anodyne Cc1oc(-c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176664 KK Annotated Anodyne NC(=O)[C@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176671 KK Annotated Anodyne NC(=O)[C@@H]1CCCN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176672 KK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176677 KK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176680 KK Annotated Anodyne Cc1oc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176683 KK Annotated Anodyne C[C@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176713 KK Annotated Anodyne C[C@H]1C[C@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176716 KK Annotated Anodyne C[C@@H]1C[C@@H](C)CN(c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)C1 ZINC000082176718 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(O)CC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000082176734 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCC(C)CC4)nc3-c3ccc(-c4ccccc4)cc3)s2)cc1 ZINC000082176751 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000082176755 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176757 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1OC ZINC000082176760 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000082176764 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176765 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000082176767 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000082176772 KK Annotated Anodyne CCc1cnc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccc(-c3ccccc3)cc2)s1 ZINC000082176774 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc(OC)c1 ZINC000082176775 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(CC)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176782 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3nc(C)c(C)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176784 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000082176794 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(C)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1OC ZINC000082176797 KK Annotated Anodyne Cc1oc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176799 KK Annotated Anodyne Fc1cccc(CCNc2ncc(-c3nc4ccccc4s3)c(-c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000082176809 KK Annotated Anodyne Cc1oc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176816 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176822 KK Annotated Anodyne Fc1ccccc1CCNc1ncc(-c2nc3ccccc3s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176824 KK Annotated Anodyne CC[C@@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176841 KK Annotated Anodyne CC[C@H](C)Nc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176843 KK Annotated Anodyne Cc1oc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 ZINC000082176868 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176875 KK Annotated Anodyne Fc1ccccc1CNc1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176886 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176887 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccccc3OC)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176895 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176913 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082176929 KK Annotated Anodyne COCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082176966 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccccc3OC)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082176973 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177003 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2ccc(-c3ccccc3)cc2)oc1C ZINC000082177008 KK Annotated Anodyne Cc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000082177015 KK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082177033 KK Annotated Anodyne CCN(C)c1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(-c3ccccc3)cc2)n1 ZINC000082177036 KK Annotated Anodyne CCCOCCCNc1ncc(-c2ncc(-c3cc(OC)ccc3OC)s2)c(-c2ccccc2C)n1 ZINC000082177093 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)o1 ZINC000082177144 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@@H]4C)nc3-c3ccccc3C)s2)c1 ZINC000082177255 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@@H]4C)nc3-c3ccccc3C)s2)c1 ZINC000082177257 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@@H]4CCCC[C@H]4C)nc3-c3ccccc3C)s2)c1 ZINC000082177259 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N[C@H]4CCCC[C@H]4C)nc3-c3ccccc3C)s2)c1 ZINC000082177260 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@@H]2C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177276 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2CCCC[C@@H]2C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177277 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@@H]2CCCC[C@H]2C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177280 KK Annotated Anodyne Cc1ccccc1-c1nc(N[C@H]2CCCC[C@H]2C)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177282 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3ccccc3C)s2)c1 ZINC000082177306 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCc4ccc(C(C)(C)C)cc4)nc3-c3ccccc3C)s2)cc1 ZINC000082177344 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCOc4ccccc4)nc3-c3ccccc3C)s2)c1 ZINC000082177366 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@@H](C)C4)nc3-c3ccccc3C)s2)c1 ZINC000082177478 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@@H](C)C[C@H](C)C4)nc3-c3ccccc3C)s2)c1 ZINC000082177479 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(N4C[C@H](C)C[C@@H](C)C4)nc3-c3ccccc3C)s2)c1 ZINC000082177480 KK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@@H](C)C2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177485 KK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@@H](C)C[C@H](C)C2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177486 KK Annotated Anodyne Cc1ccccc1-c1nc(N2C[C@H](C)C[C@@H](C)C2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177487 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)c1OC ZINC000082177510 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cccc(OC)c3OC)nc2-c2ccccc2C)oc1C ZINC000082177513 KK Annotated Anodyne COc1cccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)c1OC ZINC000082177517 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)c1 ZINC000082177518 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)ccc3OC)nc2-c2ccccc2C)oc1C ZINC000082177521 KK Annotated Anodyne COc1ccc(OC)c(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)c1 ZINC000082177525 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000082177526 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3cc(OC)cc(OC)c3)nc2-c2ccccc2C)oc1C ZINC000082177530 KK Annotated Anodyne COc1cc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)cc(OC)c1 ZINC000082177534 KK Annotated Anodyne CCOc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177543 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3ccc(OC(F)(F)F)cc3)nc2-c2ccccc2C)oc1C ZINC000082177547 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccc(OC(F)(F)F)cc2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082177551 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccccc3C)n2)cc1OC ZINC000082177557 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4cccc(F)c4)nc3-c3ccccc3C)s2)c1 ZINC000082177566 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccccc4F)nc3-c3ccccc3C)s2)c1 ZINC000082177576 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2ccccc2)ncc1-c1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000082177610 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4F)nc3-c3ccccc3C)s2)c1 ZINC000082177627 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccccc4OC)nc3-c3ccccc3C)s2)c1 ZINC000082177637 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCc4ccc(C)cc4)nc3-c3ccccc3C)s2)c1 ZINC000082177663 KK Annotated Anodyne Cc1ccc(CNc2ncc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177669 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccccc4OC)nc3-c3ccccc3C)s2)cc1 ZINC000082177715 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(NCCc4ccc(Cl)cc4)nc3-c3ccccc3C)s2)cc1 ZINC000082177725 KK Annotated Anodyne COc1ccc(CCNc2ncc(-c3ncc(-c4ccc(OC)cc4)s3)c(-c3ccccc3C)n2)cc1 ZINC000082177736 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(C)cc4)nc3-c3ccccc3C)s2)c1 ZINC000082177746 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082177766 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082177768 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082177771 KK Annotated Anodyne Cc1cccc(NC(=S)N(CCc2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082177773 KK Annotated Anodyne CC1(C)C[C@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000082177790 KK Annotated Anodyne CC1(C)C[C@@H](N(CCc2ccccc2F)C(=O)c2ccccc2F)c2cc(C(=O)N3CCCCC3)ccc2O1 ZINC000082177793 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082177797 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)CCc1ccccc1)CC(C)(C)O2 ZINC000082177799 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082177802 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082177804 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177870 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177871 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC(C)C)ncnc21 ZINC000082177872 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCCOC(=O)C(F)(F)F ZINC000082177888 KK Annotated Anodyne CC(C)CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082177918 KK Annotated Clean COc1ccc(CCN[C@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000082178042 KK Annotated Anodyne COc1ccc(CCN[C@@H]2CC(C)(C)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1OC ZINC000082178044 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC(C)(C)O2 ZINC000082178131 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=S)NC)CC(C)(C)O2 ZINC000082178133 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082178277 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)NCc1ccccc1)CC(C)(C)O2 ZINC000082178278 KK Annotated Anodyne COc1ccc(CN(C(=S)Nc2cccc(C)c2)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000082178282 KK Annotated Anodyne COc1ccc(CN(C(=S)Nc2cccc(C)c2)[C@H]2CC(C)(C)Oc3ccc(C(=O)N(C)C)cc32)cc1 ZINC000082178284 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082178288 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21)C(F)(F)F ZINC000082178295 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)c1ccc(C)cc1)CC(C)(C)O2 ZINC000082178297 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000082178302 KK Annotated Anodyne COc1ccc(CN(C(=O)c2ccccc2F)[C@@H]2CC(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 ZINC000082178307 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178320 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082178341 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=O)COc1ccccc1)CC(C)(C)O2 ZINC000082178344 KK Annotated Anodyne COc1ccc(/C=C/C(=N/NC(=O)N/N=C(/C=C/c2ccc(OC)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1 ZINC000082178359 KK Annotated Reactive O=C(CCNCc1cc(F)cc(F)c1)Nc1cccc2c1C(=O)c1c(NC(=O)CCNCc3cc(F)cc(F)c3)cccc1C2=O ZINC000082178376 KK Annotated Clean C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000082178410 KK Annotated Mild C=CCN1C(=O)/C(=C/c2ccccc2)N=C1S[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000082178413 KK Annotated Mild COc1nc(NCCNc2nc(Nc3ccc(C#N)c(OCC=C(C)C)c3)nc(OC)n2)nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1 ZINC000082178423 KK Annotated Mild COc1nc(NCCCNc2nc(Nc3ccc(C#N)c(OCC=C(C)C)c3)nc(OC)n2)nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)n1 ZINC000082178426 KK Annotated Mild Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082178436 KK Annotated Bother COc1cc(N(Cc2ccc3oc(=O)c(-c4ccccc4)nc3c2)Cc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc(OC)c1OC ZINC000082178466 KK Annotated Clean Clc1ccc(-c2ccc(-c3nc4c(NCc5ccccc5)ncnc4n3CCN3CCCCC3)o2)cc1 ZINC000082178472 KK Annotated Anodyne O=C1C(c2ccccc2)=C(c2ccccc2)[C@H](c2ccccc2)[C@]1(Cc1nnn(-c2ccc([N+](=O)[O-])cc2)c1N1CCOCC1)c1ccccc1 ZINC000082178483 KK Annotated Mild CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178486 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178488 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3)ncnc21 ZINC000082178493 KK Annotated Anodyne CC(C)(C)c1cc(OCc2nnc3sc(-c4ccc(Cl)cc4)nn23)c(Cl)cc1OCc1nnc2sc(-c3ccc(Cl)cc3)nn12 ZINC000082178494 KK Annotated Anodyne CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000082178527 KK Annotated Anodyne O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2n1[C@@H](c1ccc3c(c1)OCO3)C=C(c1cc(F)c(Cl)cc1Cl)N=2 ZINC000082178560 KK Annotated Anodyne C/C(=C1/N=C(c2cc([N+](=O)[O-])ccc2Cl)N(c2ccc(Br)cc2)C1=O)c1ccc(N(CCC#N)CCC#N)cc1C ZINC000082178590 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000082178628 KK Annotated Mild CCc1ccc(Cc2ccc(CC)c(NC(=O)C(=O)Cc3nc4ccccc4nc3C)c2CC)c(CC)c1NC(=O)C(=O)Cc1nc2ccccc2nc1C ZINC000082178643 KK Annotated Anodyne O=C(O)[C@H](CCC[C@H]1C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N1C(=O)OCc1ccccc1)N[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000082178645 KK Annotated Anodyne c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccc(-c3ccc([P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc2)cc1 ZINC000082178647 KK Annotated Reactive COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000082178713 KK Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000082178719 KK Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000082178721 KK Annotated Mild CCCS(=O)(=O)/C(=C(\c1ccc(Br)cc1)S(=O)(=O)CCC)c1ccc(Br)cc1 ZINC000082178730 KK Annotated Anodyne COc1ccc(/C=C(/c2ccccc2)c2c(C)cc(C)c(/C(=C\c3ccc(OC)cc3)c3ccccc3)c2/N=N/c2cc(C)cc(C)c2)cc1 ZINC000082178777 KK Annotated Clean COc1cc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCN2CCCCC2)ccc1O ZINC000082178788 KK Annotated Anodyne COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCOc2nc(Nc3ccc(C#N)c(OCC=C(C)C)c3)nc(OC)n2)n1 ZINC000082178789 KK Annotated Mild O=C(COc1ccc(OCC(=O)N2C(=O)CC/C2=N\c2ccc(Cl)cc2)cc1)N1C(=O)CS/C1=N\c1ccc(Cl)cc1 ZINC000082178791 KK Annotated Mild COc1cc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CCc2ccccn2)ccc1O ZINC000082178795 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082178796 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082178798 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](C)S[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082178800 KK Annotated Anodyne COc1cc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CC[C@H]2CCCN2C)ccc1O ZINC000082178801 KK Annotated Anodyne COc1cc(-c2nc3c(NCc4cccc(C(F)(F)F)c4)ncnc3n2CC[C@@H]2CCCN2C)ccc1O ZINC000082178802 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](C)S[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082178803 KK Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(N)(=O)=O)cc5)cccc34)cc2)n1 ZINC000082178824 KK Annotated Clean O=C1CCCN1CCCn1c(-c2cccs2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082178942 KK Annotated Anodyne CC(C)Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082178957 KK Annotated Anodyne FC(F)(F)c1cccc(CNc2ncnc3c2nc(CCc2ccccc2)n3CCc2ccccn2)c1 ZINC000082178963 KK Annotated Anodyne O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082179081 KK Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179094 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082179095 KK Annotated Anodyne C[C@H](Cc1nc2c(NCc3cccs3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082179096 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3CCN2CCCCC2)cc1 ZINC000082179145 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3CCc2ccccn2)cc1 ZINC000082179153 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3CCCN2CCCC2=O)cc1 ZINC000082179164 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCCN2CCCC2=O)cc1 ZINC000082179190 KK Annotated Clean Cc1ccc(CNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CCc2ccccn2)cc1 ZINC000082179251 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CC[C@@H]2CCCN2C)cc1 ZINC000082179254 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(-c2ccc(-c4ccc(Cl)cc4)o2)n3CC[C@H]2CCCN2C)cc1 ZINC000082179255 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(CCc2ccccc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179314 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@@H](C)c2ccccc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179345 KK Annotated Anodyne Cc1ccc(CNc2ncnc3c2nc(C[C@H](C)c2ccccc2)n3CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179346 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccccc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179432 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3C[C@@H]2CCCO2)c1 ZINC000082179503 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2cccc(OC(F)(F)F)c2)n3C[C@H]2CCCO2)c1 ZINC000082179504 KK Annotated Anodyne Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCN2CCCCC2)c1 ZINC000082179524 KK Annotated Clean Fc1cccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)c1 ZINC000082179528 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179531 KK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179532 KK Annotated Clean O=C(OCCCCn1c(-c2ccsc2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179577 KK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179596 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179600 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179601 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179602 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3cccc(F)c3)ncnc21 ZINC000082179603 KK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082179618 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCCc3cccc(F)c3)ncnc21)C(F)(F)F ZINC000082179636 KK Annotated Anodyne CCCCCn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000082179713 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082179785 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000082179814 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCc2ccccn2)c1 ZINC000082179834 KK Annotated Anodyne c1ccc(CCCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)cc1 ZINC000082179862 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179865 KK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179866 KK Annotated Clean O=C(OCCCCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000082179910 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179929 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179930 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179931 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCCc3ccccc3)ncnc21 ZINC000082179933 KK Annotated Anodyne Cc1ccc(-c2nc3c(NCCCc4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082179952 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21)C(F)(F)F ZINC000082179969 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000082180060 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2cc(Br)c(O)c(Br)c2)nc2c(NCC3CC3)ncnc21 ZINC000082180061 KK Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccccc4C)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082180124 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180167 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCN1CCCCC1 ZINC000082180169 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCc1ccccn1 ZINC000082180175 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CC[C@@H]1CCCN1C ZINC000082180178 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CC[C@H]1CCCN1C ZINC000082180179 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCCN1CCCC1=O ZINC000082180183 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCN1CCCC1=O ZINC000082180218 KK Annotated Clean Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCN1CCCCC1 ZINC000082180287 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCc1ccccn1 ZINC000082180291 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccccc3C)ncnc21 ZINC000082180293 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@@H]1CCCN1C ZINC000082180294 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CC[C@H]1CCCN1C ZINC000082180295 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21)C(F)(F)F ZINC000082180300 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180309 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180311 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180313 KK Annotated Anodyne CN(C)C(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180315 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082180316 KK Annotated Anodyne Cc1cccc(NC(=S)N(Cc2ccccc2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082180318 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180325 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccccc1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180326 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(CCc1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180392 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180433 KK Annotated Anodyne Cc1ccccc1CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCCCOC(=O)C(F)(F)F ZINC000082180435 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180443 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180445 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180446 KK Annotated Anodyne COCCCN(C(=O)NCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180448 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180458 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180460 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180462 KK Annotated Anodyne COCCCN(C(=O)NCCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180464 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180466 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)NCCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180468 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180470 KK Annotated Anodyne COCCCN(C(=S)Nc1cccc(C)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180471 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC1(CCCCC1)O2 ZINC000082180473 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=S)Nc1cccc(C)c1)CC1(CCCCC1)O2 ZINC000082180475 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180480 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180482 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180485 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180487 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180489 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180492 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180494 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180496 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180499 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180501 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180504 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180506 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180512 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180514 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180515 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180517 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180519 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180521 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180523 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180525 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180527 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180528 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000082180530 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCC(O)CC3)cc21 ZINC000082180533 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180535 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180537 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H](C)CN(C)C)cc21 ZINC000082180540 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H](C)CN(C)C)cc21 ZINC000082180541 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180544 KK Annotated Anodyne COCCCN(C(=O)Nc1cccc(SC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180548 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180553 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180555 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180557 KK Annotated Anodyne COCCCN(C(=O)CCc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082180559 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180561 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180563 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180565 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180567 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180568 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180570 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180576 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCCOC)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082180577 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccccc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180578 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180595 KK Annotated Anodyne COCCCN(C(=O)Cc1cccc(OC)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082180597 KK Annotated Anodyne CNC(=O)N(CCCOC)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082180666 KK Annotated Anodyne CNC(=O)N(CCCOC)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082180669 KK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2C[C@@H]1CCCO1 ZINC000082180678 KK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2C[C@H]1CCCO1 ZINC000082180679 KK Annotated Anodyne Fc1ccccc1CCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1 ZINC000082180702 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180705 KK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180706 KK Annotated Clean COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082180734 KK Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082180735 KK Annotated Anodyne COCCCN(C(C)=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000082180738 KK Annotated Anodyne COCCCN(C(C)=O)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc21 ZINC000082180740 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180741 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180743 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180745 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180746 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180748 KK Annotated Anodyne COCCCN(C(=O)c1ccc(C)cc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180749 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180750 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082180753 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180755 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 ZINC000082180757 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180760 KK Annotated Anodyne COCCCN(C(=O)c1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 ZINC000082180762 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccsc2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180780 KK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180800 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180810 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180811 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180813 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccccc3F)ncnc21 ZINC000082180817 KK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082180843 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCCc3ccccc3F)ncnc21)C(F)(F)F ZINC000082180869 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180948 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180949 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180951 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)NCc1ccccc1)CC1(CCCCC1)O2 ZINC000082180952 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082180959 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082180961 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082180963 KK Annotated Anodyne Cc1cccc(NC(=S)N(C[C@H]2CCCO2)[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)N(C)C)cc32)c1 ZINC000082180965 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180969 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180971 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180973 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180974 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180976 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccc(C)cc1)CC1(CCCCC1)O2 ZINC000082180977 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180980 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180982 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180984 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180987 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180992 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180994 KK Annotated Anodyne CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180996 KK Annotated Anodyne CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180997 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082180999 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082181001 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082181003 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)c1ccccc1F)CC1(CCCCC1)O2 ZINC000082181005 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082181014 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082181016 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082181019 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)CCc1ccccc1)CC1(CCCCC1)O2 ZINC000082181021 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082181028 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082181029 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082181031 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(C[C@H]1CCCO1)C(=O)COc1ccccc1)CC1(CCCCC1)O2 ZINC000082181032 KK Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082181171 KK Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082181173 KK Annotated Anodyne CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082181175 KK Annotated Anodyne CC(=O)N(C[C@H]1CCCO1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCN(C)c3ccccc3)cc21 ZINC000082181177 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccccc3C(C)C)C2)CC1 ZINC000082181518 KK Annotated Anodyne COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCCOc2nc(Nc3ccc(C#N)c(OCC=C(C)C)c3)nc(OC)n2)n1 ZINC000082181532 KK Annotated Mild CC(C)OP(=O)(OC(C)C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(P(=O)(OC(C)C)OC(C)C)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000082181566 KK Annotated Bother Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082181602 KK Annotated Bother CCOc1cc([C@@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@@H]5c5ccc(O)c(OCC)c5)nc4cc3s2)ccc1O ZINC000082181615 KK Annotated Anodyne CCOc1cc([C@@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@H]5c5ccc(O)c(OCC)c5)nc4cc3s2)ccc1O ZINC000082181617 KK Annotated Anodyne CCOc1cc([C@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@@H]5c5ccc(O)c(OCC)c5)nc4cc3s2)ccc1O ZINC000082181621 KK Annotated Anodyne O=C(N[C@@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 ZINC000082181623 KK Annotated Reactive O=C(N[C@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 ZINC000082181626 KK Annotated Reactive O=C(N[C@@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 ZINC000082181628 KK Annotated Reactive O=C(N[C@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 ZINC000082181629 KK Annotated Reactive CCCCCCC[C@@H]1c2cc3nc(cc3C)cc3[nH]c(cc4nc(cc([nH]2)[C@@]1(C)CC(=O)N(C)C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000082181631 KK Annotated Mild CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CC[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)[C@H]1CC3 ZINC000082181637 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@@H](C(C)(C)O)CC[C@@H]1[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)C[C@](C)(O)CC(=O)O)[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3 ZINC000082181639 KK Annotated Anodyne CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000082181646 KK Annotated Mild COC(=O)C1=C(C(=O)OC)SC(=C2SCSC3=C2SC(C(=O)OC)=C(C(=O)OC)C32SC3=C(CCCC3)S2)S1 ZINC000082181655 KK Annotated Anodyne O=C(c1ccccc1)c1nnn(Cc2ccccc2Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c1C(=O)c1ccccc1 ZINC000082181664 KK Annotated Anodyne NC1=N[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2O1 ZINC000082181677 KK Annotated Anodyne NC1=N[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2O1 ZINC000082181679 KK Annotated Anodyne C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082181681 KK Annotated Clean in-vitro C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082181682 KK Annotated Clean in-vitro C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082181683 KK Annotated Clean in-vitro C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@H](OC(C)=O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O ZINC000082181684 KK Annotated Clean in-vitro Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)Cc4c([N+](=O)[O-])ncn4C)c3nc12 ZINC000082181688 KK Annotated Bother COc1ccc(Br)c(-c2nnc3sc(-c4ccc(I)cc4I)nn23)c1 ZINC000082181693 KK Annotated Anodyne O=C1CC([C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)OCc2ccccc2)CC(=O)N1 ZINC000082181703 KK Annotated Anodyne CC(C)(CN1CCCCC1)C(/C=C/c1ccc(Cl)cc1)=N\NC(=O)N/N=C(/C=C/c1ccc(Cl)cc1)C(C)(C)CN1CCCCC1 ZINC000082181709 KK Annotated Reactive C[n+]1c(-c2ccc(/C=C/C=N\NC(=O)c3ccc(C(=O)N/N=C\C=C\c4ccc(-c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21 ZINC000082181711 KK Annotated Reactive O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/Cc3ccco3)N=C2c2ccccc2)c(N2C(=O)/C(=C/Cc3ccco3)N=C2c2ccccc2)c1 ZINC000082181718 KK Annotated Anodyne Oc1c(Cl)cc2cc1-c1cc(cc(Cl)c1O)CCc1c(cc(Cl)c(O)c1Cl)-c1cc(Cl)c(c(Cl)c1O)/C=C\2 ZINC000082181725 KK Annotated Anodyne in-vitro biogenic C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1c(O)ccc(O)c1C2=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000082181726 KK Annotated Clean Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCCNc1cc(C)[n+](CCCCCCCCCC[n+]2c(C)cc(N)c3ccccc32)c2ccccc12 ZINC000082181731 KK Annotated Anodyne COc1ccc2[nH]c3c(C)c4ccnc(NCCCN(C)CCCNc5ccc([N+](=O)[O-])c6[nH]c7ccccc7c(=O)c56)c4c(C)c3c2c1 ZINC000082181737 KK Annotated Bother CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ncc[nH]2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082181760 KK Annotated Anodyne CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082181782 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl ZINC000082181783 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082181784 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082181785 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl ZINC000082181786 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082181787 KK Annotated Reactive Fc1ccccc1CCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCN1CCCCC1 ZINC000082181794 KK Annotated Clean CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082181797 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2)c1ccccc1 ZINC000082181846 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CC1(CCCCC1)O2)c1ccccc1 ZINC000082181847 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082181856 KK Annotated Anodyne CNC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082181857 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccccc1F)C(=S)NC)CC1(CCCCC1)O2 ZINC000082181858 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccccc1F)C(=S)NC)CC1(CCCCC1)O2 ZINC000082181859 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082181860 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N3CCCCC3)cc21 ZINC000082181861 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082181862 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NCCCOC)cc21 ZINC000082181863 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000082181876 KK Annotated Anodyne CN(CCCNC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2)c1ccccc1 ZINC000082181877 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082181878 KK Annotated Anodyne CNC(=S)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082181879 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082181880 KK Annotated Anodyne CC(=O)N(CCc1ccccc1F)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)NC3CCCCC3)cc21 ZINC000082181881 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000082181886 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000082181887 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000082181888 KK Annotated Anodyne COCCCNC(=O)c1ccc2c(c1)[C@@H](N(CCc1ccc(OC)c(OC)c1)C(C)=O)CC1(CCCCC1)O2 ZINC000082181889 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082181892 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1cccc(C(F)(F)F)c1)C(=O)NC)CC1(CCCCC1)O2 ZINC000082181893 KK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082181894 KK Annotated Anodyne CNC(=S)N(Cc1cccc(C(F)(F)F)c1)[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N(C)C)cc21 ZINC000082181895 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082181924 KK Annotated Anodyne CCCCNC(=O)c1ccc2c(c1)[C@@H](N(Cc1ccc(OC)cc1)C(=S)NC)CC1(CCCCC1)O2 ZINC000082181925 KK Annotated Anodyne COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000082181932 KK Annotated Anodyne COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(=O)NCCCN(C)c4ccccc4)cc32)cc1 ZINC000082181933 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2cc3ccccc3o2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082182055 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(OCc2ccc(-c3ccccc3)cc2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082182059 KK Annotated Anodyne CCCCCCCCCC[C@@H](OC(C)=O)[C@@H]1CC[C@@H]([C@@H]2CC[C@@H]([C@@H](O)CC#C/C=C/CCCCCCC[C@@]3(Sc4ccccc4)C[C@H](C)OC3=O)O2)O1 ZINC000082182060 KK Annotated Mild O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 ZINC000082182078 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)C2CCCCC2)c1O ZINC000082182087 KK Annotated Anodyne Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCC(CNCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000082182107 KK Annotated Bother Cn1nc(/C=C\C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@H](CCl)c2c1cc(N)c1ccccc21 ZINC000082182110 KK Annotated Reactive Cn1nc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@H](CCl)c2c1cc(N)c1ccccc21 ZINC000082182111 KK Annotated Reactive Cn1nc(/C=C\C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@@H](CCl)c2c1cc(N)c1ccccc21 ZINC000082182112 KK Annotated Reactive Cn1nc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@@H](CCl)c2c1cc(N)c1ccccc21 ZINC000082182113 KK Annotated Reactive CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c2cccc3ccccc23)c1O ZINC000082182126 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccc(-c3ccccc3)cc2)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082182134 KK Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/c3cccc(Br)c3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000082182139 KK Annotated Anodyne O=C1CS[C@]2(CC(/C=C/c3cccc(Br)c3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000082182140 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C=O)c(O)c(C(c2ccc3c(c2)Cc2ccccc2-3)c2c(O)c(C=O)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082182157 KK Annotated Anodyne Nc1ccc(Oc2ccc(C34CC5CC(C3)CC(c3ccc(Oc6ccc(N)cc6C(F)(F)F)cc3)(C5)C4)cc2)c(C(F)(F)F)c1 ZINC000082182159 KK Annotated Anodyne Oc1ccc(Cl)cc1C1=NC(NCN2CCN(CNC3=N[C@H](c4ccccc4)CC(c4cc(Cl)ccc4O)=N3)CC2)=N[C@H](c2ccccc2)C1 ZINC000082182180 KK Annotated Anodyne Oc1ccc(Cl)cc1C1=NC(NCN2CCN(CNC3=N[C@@H](c4ccccc4)CC(c4cc(Cl)ccc4O)=N3)CC2)=N[C@H](c2ccccc2)C1 ZINC000082182181 KK Annotated Anodyne Oc1ccc(Cl)cc1C1=NC(NCN2CCN(CNC3=N[C@@H](c4ccccc4)CC(c4cc(Cl)ccc4O)=N3)CC2)=N[C@@H](c2ccccc2)C1 ZINC000082182182 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2cccs2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000082182195 KK Annotated Anodyne CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)C23CCC(C(=O)Nc4cc(CN(C)C)cc(N(CC)CCCl)c4)(CC2)CC3)c1 ZINC000082182197 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl ZINC000082182205 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl ZINC000082182206 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl ZINC000082182207 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl ZINC000082182208 KK Annotated Reactive ClCCCCCc1c2ccc(n2)c(CCCCCCl)c2ccc([nH]2)c(CCCCCCl)c2ccc(n2)c(CCCCCCl)c2ccc1[nH]2 ZINC000082182227 KK Annotated Reactive COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2c([C@@H](CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC ZINC000082182239 KK Annotated Reactive COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2c([C@@H](CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC ZINC000082182240 KK Annotated Reactive COc1ccc([C@H](NS(=O)(=O)c2ccc(C)cc2)c2c([C@H](CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC ZINC000082182241 KK Annotated Reactive COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2c([C@H](CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC ZINC000082182242 KK Annotated Reactive CC[C@H](C)[C@]12Oc3cc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)ccc3O[N+]1([O-])C(O)=C([C@H](C)CC)N(O)C2=O ZINC000082182245 KK Annotated Mild CC[C@H](C)[C@@]12Oc3cc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)ccc3O[N+]1([O-])C(O)=C([C@H](C)CC)N(O)C2=O ZINC000082182246 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1O ZINC000082182247 KK Annotated Mild O=C(OCCCCn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082184784 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccc(O)c2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082184861 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CCN2CCCCC2)cc1 ZINC000082184915 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000082184927 KK Annotated Anodyne COC(=O)c1ccc(-c2nc3c(NCc4ccc(Cl)cc4)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000082184929 KK Annotated Anodyne Clc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCN2CCCCC2)cc1 ZINC000082184938 KK Annotated Clean Clc1ccc(CNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)cc1 ZINC000082184945 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184948 KK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184949 KK Annotated Clean O=C1CCCN1CCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082184954 KK Annotated Clean O=C(OCCCCn1c(-c2cccnc2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082184972 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082185000 KK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082185033 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185046 KK Annotated Anodyne CCOC(=O)[C@@H]1[C@H](c2ccc(Br)cc2)N(Cc2ccccc2)[C@H](c2ccc(Br)cc2)[C@H](C(=O)OC)S1(=O)=O ZINC000082185047 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 ZINC000082185048 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)[C@@H]2C[C@@H](C(=O)OC)ON2O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000082185082 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)[C@@H]2C[C@@H](C(=O)OC)ON2O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000082185085 KK Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)c2cccnc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OCCC)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000082185127 KK Annotated Mild Cc1ccc(S(=O)(=O)N/N=C/C(=C/c2ccc(Cl)cc2)CC(/C=N/NS(=O)(=O)c2ccc(C)cc2)=C\c2ccc(Cl)cc2)cc1 ZINC000082185147 KK Annotated Mild CC(C)(C)OC(=O)C1=C(C(=O)OC(C)(C)C)SC2(S1)C(C(=O)OC(C)(C)C)=C(C(=O)OC(C)(C)C)Sc1c2ssc1=O ZINC000082185150 KK Annotated Anodyne CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2ccc(-c3csc(Cc4ccccc4)n3)cc2)c(Cl)c1 ZINC000082185151 KK Annotated Mild N#CCCN(CCC#N)c1ccc([C@H](Sc2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1 ZINC000082185157 KK Annotated Mild N#CCCN(CCC#N)c1ccc([C@@H](Sc2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1 ZINC000082185159 KK Annotated Mild N#CCCN(CCC#N)c1ccc([C@H](Sc2ccccc2)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1 ZINC000082185160 KK Annotated Mild N#CCCN(CCC#N)c1ccc([C@@H](Sc2ccccc2)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)Sc2ccccc2)cc1 ZINC000082185162 KK Annotated Mild CC(=O)OC[C@@H]1O[C@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185170 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](Oc2cc(C)c(O)cc2C/C=C(\C)CC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185172 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082185182 KK Annotated Anodyne C[C@H](Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1CCCN1CCCC1=O)c1ccccc1 ZINC000082185184 KK Annotated Anodyne O=C(OCCOC(=O)c1ccc2c(c1)C1(SCCS1)c1ccccc1-2)c1ccc2c(c1)C1(SCCS1)c1ccccc1-2 ZINC000082185185 KK Annotated Anodyne Cc1c(-c2ccc(O)cc2)n(CCCCCCNCCOC(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)c2ccc(O)cc12 ZINC000082185192 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082185256 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)CS[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082185259 KK Annotated Anodyne CN(/N=C/c1ccc(OCc2cccc(COc3ccc(C=O)cc3)n2)cc1)c1cnn(-c2ccc(Cl)cc2Cl)c(=O)c1Cl ZINC000082185266 KK Annotated Mild Cc1ccc2c(sc(-c3ccc4c(c3)sc(-c3ccc5c(c3)sc(-c3ccc(N(C)C)cc3)[n+]5C)[n+]4C)[n+]2C)c1S(=O)(=O)O ZINC000082185307 KK Annotated Clean Cc1cc(OCc2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccc(-c4ccc(Cl)cc4)o2)S3)ccc1Cl ZINC000082185336 KK Annotated Anodyne COc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082185412 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2ccc(C)cc2)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000082185447 KK Annotated Anodyne COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2C(c3ccc(OC)cc3)=Nc3c(nc(SC)n(C)c3=O)N[C@@H]2c2ccccc2)cc1 ZINC000082185451 KK Annotated Anodyne COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2C(c3ccc(OC)cc3)=Nc3c(nc(SC)n(C)c3=O)N[C@H]2c2ccccc2)cc1 ZINC000082185454 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)c([C@@H](O[C@H](c2ccccc2)c2c(-c3ccccc3)c(C(=O)OCC)n3ccccc23)c2ccccc2)c2ccccn12 ZINC000082185490 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)c([C@@H](O[C@@H](c2ccccc2)c2c(-c3ccccc3)c(C(=O)OCC)n3ccccc23)c2ccccc2)c2ccccn12 ZINC000082185493 KK Annotated Anodyne CCOC(=O)c1c(-c2ccccc2)c([C@H](O[C@H](c2ccccc2)c2c(-c3ccccc3)c(C(=O)OCC)n3ccccc23)c2ccccc2)c2ccccn12 ZINC000082185497 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@H](c3cccs3)C2)cc1 ZINC000082185537 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H](c3cccs3)C2)cc1 ZINC000082185540 KK Annotated Bother N#Cc1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCN(N1CCc3c(sc(NC(=S)Nc4ccc(Cl)cc4)c3C#N)C1)C2 ZINC000082185559 KK Annotated Mild C[C@@H](CC(=O)OCc1ccccc1)O[C@H]1O[C@@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000082185644 KK Annotated Anodyne C[C@@H](CC(=O)OCc1ccccc1)O[C@@H]1O[C@@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C ZINC000082185646 KK Annotated Anodyne CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082185647 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl ZINC000082185649 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082185652 KK Annotated Reactive CC(=O)OC[C@@H]1O[C@H](n2c(C)c(/N=N/c3ccc(Cl)cc3)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082185659 KK Annotated Clean O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCN(c1c(Cl)ssc1=O)c1c(Cl)ssc1=O ZINC000082185744 KK Annotated Anodyne CC(C)(C)c1ccc(S(=O)(=O)N2[C@H](C(=O)O)CC[C@H]2c2cccc([C@@H]3CC[C@@H](C(=O)O)N3S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 ZINC000082185774 KK Annotated Anodyne CCO[P@@](=O)(O)[C@H](Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc([C@H](Nc2ccc(/N=N/c3ccccc3)cc2)[P@](=O)(O)OCC)cc1 ZINC000082185784 KK Annotated Clean O=C(OCCCCn1c(CCc2ccccc2)nc2c(NCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082185865 KK Annotated Anodyne OCCCCCCCCCCCOc1ccc(C2OCC3(CO2)COC(c2ccc(OCCCCCCCCCCCO)cc2)OC3)cc1 ZINC000082185958 KK Annotated Anodyne O=c1c2cc(S(=O)(=O)O)ccc2nc(COc2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1C(=S)Nc1ccc(Cl)cc1 ZINC000082185980 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)S(=O)(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1OCCOCCOCCO2 ZINC000082186028 KK Annotated Anodyne Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@H](c3ccco3)C2)cc1 ZINC000082186076 KK Annotated Bother Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H](c3ccco3)C2)cc1 ZINC000082186080 KK Annotated Bother Cc1ccc(S(=O)(=O)n2cc(C=O)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3C=O)c2)cc1 ZINC000082186083 KK Annotated Anodyne c1ccc(C(N[C@H]2CCCC[C@H]2NCCN[C@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000082186085 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@@H](CC(=O)O)S[C@H]4c4ccccc4O)cc3)cs2)ccc1Cl ZINC000082186086 KK Annotated Clean COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@@H](CC(=O)O)S[C@@H]4c4ccccc4O)cc3)cs2)ccc1Cl ZINC000082186088 KK Annotated Clean c1ccc(C(N[C@H]2CCCC[C@@H]2NCCN[C@@H]2CCCC[C@@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000082186089 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@H](CC(=O)O)S[C@H]4c4ccccc4O)cc3)cs2)ccc1Cl ZINC000082186092 KK Annotated Clean c1ccc(C(N[C@H]2CCCC[C@H]2NCCN[C@@H]2CCCC[C@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000082186095 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)[C@H](CC(=O)O)S[C@@H]4c4ccccc4O)cc3)cs2)ccc1Cl ZINC000082186096 KK Annotated Clean c1ccc(C(N[C@H]2CCCC[C@H]2NCCN[C@@H]2CCCC[C@@H]2NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000082186099 KK Annotated Anodyne CSc1cc(-c2cccs2)sc1-c1cc(SC)c(-c2sc(-c3sc(-c4cccs4)cc3SC)cc2SC)s1 ZINC000082186120 KK Annotated Anodyne COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000082186257 KK Annotated Mild COc1ccc(/N=N/c2c(C)c(C#N)c(=S)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c2-c2ccccc2)cc1 ZINC000082186259 KK Annotated Mild CCCCCC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=C/C(=N/OC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000082186268 KK Annotated Mild CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2CCCCC ZINC000082186277 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2C[C@@H](C)CC ZINC000082186279 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1cc(Br)c(O)c(Br)c1)n2C[C@H](C)CC ZINC000082186281 KK Annotated Anodyne Fc1cc(C2=Nn3c(CNc4ccc(Cl)cc4)nnc3S/C2=C\c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl ZINC000082186338 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCCOC(=O)C(F)(F)F ZINC000082186395 KK Annotated Clean COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/c5cccs5)N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082186456 KK Annotated Clean COc1cc(/C=C2\[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H](C(=O)N2Cc2ccccc2)N3C(=O)OC(C)C)c(OC)c(C)c1OC ZINC000082186484 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)/C(=C\c5cccs5)N=C4c4ccccc4)cc3)cs2)ccc1Cl ZINC000082186490 KK Annotated Clean O=C(Nc1ccccc1S[C@H](/C=C/NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000082186555 KK Annotated Anodyne CCCCCNc1ncnc2c1nc(-c1ccc(-c3ccc(Cl)cc3)o1)n2CCCN1CCCC1=O ZINC000082186557 KK Annotated Anodyne O=C(Nc1ccccc1S[C@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000082186560 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4C)[C@H](c4ccc(Cl)cc4)C[C@@H]32)cc1 ZINC000082186611 KK Annotated Anodyne O=C1C=CC(=O)c2c1ccc1c3ccccc3n(CCCCCCCCCCCCn3c4ccccc4c4ccc5c(c43)C(=O)C=CC5=O)c21 ZINC000082186684 KK Annotated Mild O=c1c(Sc2c(SCSc3cnc4ccccc4c3Sc3c[nH]c4ccccc4c3=O)cnc3ccccc23)c[nH]c2ccccc12 ZINC000082186689 KK Annotated Anodyne c1ccc2c3[nH]c(c2c1)=Nc1ccc(cc1)-c1nc2ccc(cc2o1)N=c1[nH]c(c2ccccc12)=Nc1ccc2nc(oc2c1)-c1ccc(cc1)N=3 ZINC000082186716 KK Annotated Anodyne c1ccc(-c2sc(-c3ccccc3)c3c2C(c2ccccc2)c2c(-c4ccccc4)sc(-c4ccccc4)c2C3c2ccccc2)cc1 ZINC000082186813 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082186882 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082186885 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082186890 KK Annotated Reactive COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl ZINC000082186893 KK Annotated Reactive O=C(OCCCCn1c(-c2ccccc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187004 KK Annotated Anodyne Fc1ccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCN2CCCCC2)cc1 ZINC000082187193 KK Annotated Clean Fc1ccc(CCNc2ncnc3c2nc(-c2ccc(N4CCCC4)cc2)n3CCc2ccccn2)cc1 ZINC000082187202 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187208 KK Annotated Clean CN1CCC[C@H]1CCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187210 KK Annotated Clean O=C(OCCCCn1c(-c2ccsc2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187278 KK Annotated Anodyne O=C(OCCCCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187308 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187318 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187320 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187323 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCCc3ccc(F)cc3)ncnc21 ZINC000082187325 KK Annotated Anodyne FC(F)(F)Oc1cccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCN2CCCCC2)c1 ZINC000082187327 KK Annotated Anodyne Cc1ccc(-c2nc3c(NCCc4ccc(F)cc4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082187364 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCCc3ccc(F)cc3)ncnc21)C(F)(F)F ZINC000082187401 KK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082187783 KK Annotated Anodyne COc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082187785 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082187889 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082187891 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187955 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCN1CCCCC1)c1ccccc1 ZINC000082187958 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCc1ccccn1)c1ccccc1 ZINC000082187973 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CCc1ccccn1)c1ccccc1 ZINC000082187975 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187985 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082187987 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187989 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccc(OC(F)(F)F)c1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082187991 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188033 KK Annotated Clean C[C@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCN1CCCCC1)c1ccccc1 ZINC000082188035 KK Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188051 KK Annotated Clean C[C@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCc1ccccn1)c1ccccc1 ZINC000082188055 KK Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188069 KK Annotated Clean C[C@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@@H]1CCCN1C)c1ccccc1 ZINC000082188070 KK Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188072 KK Annotated Clean C[C@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CC[C@H]1CCCN1C)c1ccccc1 ZINC000082188074 KK Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188085 KK Annotated Clean C[C@H](CNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCCN1CCCC1=O)c1ccccc1 ZINC000082188088 KK Annotated Clean C[C@@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188268 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1ccsc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188269 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188357 KK Annotated Anodyne CCCCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188359 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188362 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188364 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188366 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 ZINC000082188367 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188369 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 ZINC000082188370 KK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082188419 KK Annotated Anodyne Cc1ccc(-c2nc3c(NC[C@H](C)c4ccccc4)ncnc3n2CCCCOC(=O)C(F)(F)F)o1 ZINC000082188420 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(-c1cccs1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188483 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(-c1cccs1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188486 KK Annotated Anodyne C[C@@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188604 KK Annotated Anodyne C[C@H](CNc1ncnc2c1nc(CCc1ccccc1)n2CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082188606 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)ccc1O ZINC000082189000 KK Annotated Anodyne COc1cc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)ccc1O ZINC000082189002 KK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189003 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189006 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189008 KK Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)c1 ZINC000082189025 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189030 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189035 KK Annotated Anodyne Clc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@@H]2CCCO2)cc1 ZINC000082189050 KK Annotated Anodyne Clc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2C[C@H]2CCCO2)cc1 ZINC000082189053 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189058 KK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189069 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189070 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189071 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189076 KK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189078 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189165 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189167 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189195 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189198 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189264 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189268 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189327 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(CCc2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189329 KK Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189337 KK Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21 ZINC000082189339 KK Annotated Anodyne CC(C)c1nc2c(NCCc3ccc(Cl)cc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082189382 KK Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCCc3ccc(Cl)cc3Cl)ncnc21)C(F)(F)F ZINC000082189484 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)cc1 ZINC000082189560 KK Annotated Anodyne CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189582 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189585 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189587 KK Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCN2CCCCC2)c1 ZINC000082189592 KK Annotated Anodyne Oc1cccc(-c2nc3c(NCCc4c(Cl)cccc4Cl)ncnc3n2CCc2ccccn2)c1 ZINC000082189601 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189608 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccc(O)c2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189610 KK Annotated Anodyne CC(=O)NCCn1c(-c2ccc(Cl)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189625 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NC3CCCCCC3)ncnc21 ZINC000082189633 KK Annotated Anodyne CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189639 KK Annotated Anodyne CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189640 KK Annotated Anodyne CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189641 KK Annotated Anodyne COCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189644 KK Annotated Clean CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189647 KK Annotated Clean CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189649 KK Annotated Clean CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189651 KK Annotated Clean COc1ccc(-c2nc3c(NC4CCCCCC4)ncnc3n2CCCCOC(=O)C(F)(F)F)cc1 ZINC000082189653 KK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1ccsc1)n2CCN1CCCCC1 ZINC000082189696 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189704 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccsc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189705 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189710 KK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(-c1cccs1)n2CCN1CCCCC1 ZINC000082189739 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189750 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2cccs2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189753 KK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(CCc1ccccc1)n2CCc1ccccn1 ZINC000082189789 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189794 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(CCc2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189795 KK Annotated Anodyne CC(=O)NCCn1c(C[C@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189820 KK Annotated Anodyne CC(=O)NCCn1c(C[C@@H](C)c2ccccc2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082189822 KK Annotated Anodyne CC(C)c1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082189863 KK Annotated Anodyne CCCc1nc2c(NCCc3c(Cl)cccc3Cl)ncnc2n1CCCCOC(=O)C(F)(F)F ZINC000082189892 KK Annotated Anodyne O=C(OCCCCn1c(C2CC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21)C(F)(F)F ZINC000082189950 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21)C(F)(F)F ZINC000082190112 KK Annotated Anodyne Cc1nc(Oc2ccc(NS(C)(=O)=O)cc2F)ccc1CN1CCC(N(C(=O)Nc2ccc(C(N)=O)nc2)c2cccc(F)c2)CC1 ZINC000082190129 KK Annotated Anodyne S=C(Nc1ccccc1)Nc1ccccc1S[C@H](/C=C/NNC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 ZINC000082190160 KK Annotated Anodyne S=C(Nc1ccccc1)Nc1ccccc1S[C@H](/C=C/NNC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1 ZINC000082190165 KK Annotated Anodyne NCc1ccccc1-c1c2ccc(n2)c(-c2ccccc2CN)c2ccc([nH]2)c(-c2ccccc2CN)c2ccc(n2)c(-c2ccccc2CN)c2ccc1[nH]2 ZINC000082190224 KK Annotated Bother ClC1=C(Cl)C(Cl)(Cl)c2c3c(c4c(c21)C(Cl)(Cl)C(Cl)=C4Cl)C(Cl)(Cl)C(Cl)=C3Cl ZINC000082190296 KK Annotated Anodyne c1ccc(C2=C(c3ccccc3)Sc3nnc(CCCCCCCCc4nnc5n4NC(c4ccccc4)=C(c4ccccc4)S5)n3N2)cc1 ZINC000082190299 KK Annotated Anodyne CC(C)(C)c1cc(C(OCCl)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC21c2ccccc2C(=O)c2ccccc21 ZINC000082190335 KK Annotated Reactive Fc1ccc(NCn2nc(COc3ccccc3Cl)n(/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2=S)cc1Cl ZINC000082190337 KK Annotated Mild C[N+](C)(CCNc1ccc(NCC[N+](C)(C)Cc2ccc([N+](=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000082190372 KK Annotated Clean CN1CCC[C@@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3cccs3)ncnc21 ZINC000082190427 KK Annotated Anodyne CN1CCC[C@H]1CCn1c(-c2ccc(-c3ccc(Cl)cc3)o2)nc2c(NCc3cccs3)ncnc21 ZINC000082190431 KK Annotated Anodyne CCCC[C@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@@H]1CC/C(C)=C/C(=O)O ZINC000082190571 KK Annotated Anodyne O=Cc1ccccc1COC(=O)c1cc(C(=O)OCc2ccccc2C=O)c(C(=O)OCc2ccccc2C=O)cc1C(=O)OCc1ccccc1C=O ZINC000082190624 KK Annotated Anodyne Cc1cccc2nc3cccc(C(=O)NCCC[N+](C)(CCCNC(=O)c4cccc5nc6cccc(C)c6nc45)Cc4ccc([N+](=O)[O-])n4C)c3nc12 ZINC000082190653 KK Annotated Bother Clc1ccc(-c2ccc(-c3nc4c(NC5CCCCCC5)ncnc4n3CCc3ccccn3)o2)cc1 ZINC000082190728 KK Annotated Anodyne CCCCc1c2c(nc3c1CCc1cc4cc5c(nc4nc1-3)-c1nc3c(c(CCCC)c1CC5)CCC/C3=C\c1ccccc1)/C(=C/c1ccccc1)CCC2 ZINC000082190765 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)Nc1ccccc1 ZINC000082190774 KK Annotated Anodyne O=C(O)COc1c(Cl)cc(Cl)c(C(c2c(Cl)cc(Cl)c(OCC(=O)O)c2Cl)C(Cl)(Cl)Cl)c1Cl ZINC000082190795 KK Annotated Anodyne CC(C)(C)c1ccc2c(c1)S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1OCCOCCOCCO2 ZINC000082190846 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)/C(=C/c5ccccc5)N=C4c4ccccc4)cc3)cs2)ccc1Cl ZINC000082190868 KK Annotated Clean COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCCOCCOc2nc(Nc3ccc(C#N)c(OCC=C(C)C)c3)nc(OC)n2)n1 ZINC000082190881 KK Annotated Mild Cc1ccc(Nc2nc3cc(C(=O)NCCC(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)c(C)c1 ZINC000082190891 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4C)[C@H](c4ccc(Cl)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000082190894 KK Annotated Anodyne NC(=O)CCNC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1cccc(Cl)c1 ZINC000082190911 KK Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2CCc1cccc(F)c1)C(N)=O ZINC000082191002 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc3n2CCc2cccc(F)c2)c(C)c1 ZINC000082191020 KK Annotated Anodyne Clc1ccc(-c2nn3c(COc4ccc(OCc5nnc6sc(-c7ccc(Cl)cc7)nn56)c(Cl)c4)nnc3s2)cc1 ZINC000082191047 KK Annotated Anodyne O=C1CS[C@]2(CC(/C=C/c3ccccc3Br)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000082191076 KK Annotated Anodyne O=C1CS[C@@]2(CC(/C=C/c3ccccc3Br)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 ZINC000082191078 KK Annotated Anodyne CN(CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc12)CCNC(=O)c1nn(-c2ccccc2)c2c1ccc1ccccc12 ZINC000082191132 KK Annotated Anodyne COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000082191215 KK Annotated Reactive CC[C@H](C)[C@]12Oc3cc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)ccc3O[N+]1([O-])C(O)=C([C@H](C)CC)N(O)C2=O ZINC000082191230 KK Annotated Mild CC[C@H](C)[C@@]12Oc3cc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)ccc3O[N+]1([O-])C(O)=C([C@H](C)CC)N(O)C2=O ZINC000082191233 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@@]2([C@@H](C)CC)C(=O)N1O ZINC000082191235 KK Annotated Mild C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1cccc(C(F)(F)F)c1)n2Cc1ccccc1Cl)C(N)=O ZINC000082191260 KK Annotated Anodyne C[C@H](NC(=O)c1ccc2c(c1)nc(Nc1ccc(Cl)c(Cl)c1)n2Cc1ccccc1Cl)C(N)=O ZINC000082191272 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2Cc2ccccc2Cl)c(C)c1 ZINC000082191291 KK Annotated Anodyne Cc1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2Cc2ccccc2Cl)cc1Cl ZINC000082191293 KK Annotated Anodyne CC(C)CS(=O)(=O)/C(=C(\c1ccc(Br)cc1)S(=O)(=O)CC(C)C)c1ccc(Br)cc1 ZINC000082191362 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/c5ccccc5)N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082191407 KK Annotated Clean CCCn1c(SCCSc2c3ccccc3c(-c3nc(F)nc(F)n3)n2CCC)c2ccccc2c1-c1nc(F)nc(F)n1 ZINC000082191410 KK Annotated Anodyne C=CC[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000082191417 KK Annotated Mild CC1(C)[C@@H]2C[C@H]1[C@@H](Cc1ccc(C[C@H]3c4cc(-c5ccccn5)ncc4[C@H]4C[C@@H]3C4(C)C)cc1)c1cc(-c3ccccn3)ncc12 ZINC000082191432 KK Annotated Anodyne O=C(C1=C(C(=O)c2ccccc2)SC2(S1)C(C(=O)c1ccccc1)=C(C(=O)c1ccccc1)Sc1c2ssc1=O)c1ccccc1 ZINC000082191440 KK Annotated Mild COc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1 ZINC000082191494 KK Annotated Bother CC(C)n1c(Nc2ccc(Br)cc2)nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc21 ZINC000082191515 KK Annotated Anodyne CC(=O)Nc1ccc(/N=C2\C(c3ccccc3)=C(SC3=C(c4ccccc4)/C(=N\c4ccc(NC(C)=O)cc4)c4ccccc43)c3ccccc32)cc1 ZINC000082191544 KK Annotated Mild Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@H](c3ccccc3O)C2)cc1 ZINC000082191599 KK Annotated Clean Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C2=NN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)[C@@H](c3ccccc3O)C2)cc1 ZINC000082191601 KK Annotated Clean CC(C)Cn1c(Nc2ccc(Br)cc2)nc2cc(C(=O)NCc3cccc(C(N)=O)c3)ccc21 ZINC000082191620 KK Annotated Anodyne COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)/C(=C/C=C\c5ccccc5)N=C4c4ccccc4)n3)cc2)cc1Cl ZINC000082191624 KK Annotated Anodyne CCCCc1c(C(=O)OC(C)(C)C)cc(C#Cc2cc(C(=O)OC(C)(C)C)c(CCCC)c(C(=O)OC(C)(C)C)c2)cc1C(=O)OC(C)(C)C ZINC000082191642 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@H]2O[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000082191688 KK Annotated Mild COc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000082191692 KK Annotated Mild Cc1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2Cc2ccccc2Cl)cc1C ZINC000082191751 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082191852 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082191856 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082191857 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082191861 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082192111 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082192114 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082192121 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082192124 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000082192775 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082192966 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082192970 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082192974 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082192978 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(I)cc2)cs1 ZINC000082193187 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(I)cc2)cs1 ZINC000082193190 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000082193240 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000082193245 KK Annotated Anodyne COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NCCC(c2ccccc2)c2ccccc2)n1 ZINC000082193258 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082193763 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082193767 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082193773 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082193775 KK Annotated Anodyne CSCC[C@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000082193968 KK Annotated Mild CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082194092 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082194095 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082194115 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@H](CCSC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082194117 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194473 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194475 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194477 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194479 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000082194491 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194585 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Cl)c(Cl)c2Cl)cs1 ZINC000082194586 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194589 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(F)c(Cl)cc2Cl)cs1 ZINC000082194590 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194897 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc3ccccc3o2)cs1 ZINC000082194900 KK Annotated Anodyne CSCC[C@@H](Nc1nc(-c2ccc(C#N)cc2)cs1)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000082195078 KK Annotated Mild CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082195155 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000082195157 KK Annotated Anodyne CCCC[C@@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195173 KK Annotated Anodyne CCCC[C@H](CC)CNC(=O)[C@@H](CCSC)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)cs1 ZINC000082195174 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@H](n2c(-c3ccccc3)c(C(C)=O)c(-c3ccc(Cl)cc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000082195303 KK Annotated Anodyne CCOC(=O)/C=C(\N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000082195349 KK Annotated Reactive CN1[C@@]2(c3ccccc3)C(C(=O)c3ccccc3)=C(C(=O)c3ccccc3)[C@]1(c1ccccc1)c1c(-c3ccccc3)sc(-c3ccccc3)c12 ZINC000082195376 KK Annotated Mild Clc1ccc(-c2cc3nc2c(-c2ccccc2)c2ccc([nH]2)c(-c2ccccc2)c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c3-c2ccccc2)cc1 ZINC000082195428 KK Annotated Bother COc1ccc(CN2C(=O)[C@@H](Cc3cc(OC)c(OC)c(C)c3OC)N(C(=O)OC(C)C)C(=O)/C2=C/c2cc(OC)c(OC)c(C)c2OC)cc1 ZINC000082195484 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)N(C(=O)OC(C)C)C(=O)/C2=C/c2cc(OC)c(OC)c(C)c2OC)cc1 ZINC000082195486 KK Annotated Anodyne COc1cc(S(=O)(=O)Nc2nc(-c3ccc(N4C(=O)/C(=C/c5ccccc5[N+](=O)[O-])N=C4c4ccccc4)cc3)cs2)ccc1Cl ZINC000082195490 KK Annotated Clean O=C1/C(=C/c2cccs2)N=C(c2ccccc2)N1[C@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2cccs2)N=C1c1ccccc1)S3 ZINC000082195541 KK Annotated Anodyne O=C1/C(=C/c2cccs2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2cccs2)N=C1c1ccccc1)S3 ZINC000082195543 KK Annotated Anodyne O=C1/C(=C/c2cccs2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@@H](N1C(=O)/C(=C/c2cccs2)N=C1c1ccccc1)S3 ZINC000082195544 KK Annotated Anodyne CN(C)c1ccc([C@@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@@H]5c5ccc(N(C)C)cc5)nc4cc3s2)cc1 ZINC000082195549 KK Annotated Clean CN(C)c1ccc([C@@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@H]5c5ccc(N(C)C)cc5)nc4cc3s2)cc1 ZINC000082195552 KK Annotated Clean CN(C)c1ccc([C@H]2SCC(=O)N2c2nc3cc4sc(N5C(=O)CS[C@@H]5c5ccc(N(C)C)cc5)nc4cc3s2)cc1 ZINC000082195553 KK Annotated Clean CC1(C)OC[C@H]([C@H]2OC(C)(C)O[C@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000082195558 KK Annotated Anodyne CC1(C)OC[C@@H]([C@H]2OC(C)(C)O[C@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000082195560 KK Annotated Anodyne CC1(C)O[C@@H]([C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)[C@H]([C@H]2COC(C)(C)O2)O1 ZINC000082195561 KK Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2[C@H]2O[C@]3(O)[C@H](OCc4ccccc4)[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]4C=CC[C@H]2[C@H]43)O1 ZINC000082195563 KK Annotated Anodyne Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@H]2O[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000082195583 KK Annotated Mild Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)n2[C@@H]2O[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OC(=O)c2ccccc2)cc1 ZINC000082195586 KK Annotated Mild [N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccc(CSC[C@H](N)C(=O)O)cc3)cc2)CC1 ZINC000082195587 KK Annotated Mild [N-]=[N+]=Nc1ccc2c(c1)Sc1ccccc1N2CCCCN1CCN(Cc2ccc(C(=O)c3ccc(CSC[C@@H](N)C(=O)O)cc3)cc2)CC1 ZINC000082195589 KK Annotated Mild CC(C)(C)OC(=O)[C@@H]1C(=O)NC(=O)C[C@@H]1[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1 ZINC000082195638 KK Annotated Anodyne CCCCc1c2c(nc3c1CCc1cc4c(nc1-3)-c1nc3c(c(CCCC)c1CC4)CCC/C3=C\c1ccccc1)/C(=C/c1ccccc1)CCC2 ZINC000082195641 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195813 KK Annotated Anodyne O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)s2)cs1 ZINC000082195814 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000082196558 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000082196559 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000082196560 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000082196561 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196588 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196589 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196590 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082196591 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082196602 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccccc3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082196603 KK Annotated Anodyne Clc1cccc(Cl)c1CCNc1ncnc2c1nc(C1CCCCC1)n2CCN1CCCCC1 ZINC000082196642 KK Annotated Anodyne CSc1ccc(/C=C2\N=C(c3ccccc3)N(NC(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3-c3nc4ccccc4[nH]3)C2=O)cc1 ZINC000082196686 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000082196706 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000082196707 KK Annotated Reactive O=S(=O)(Oc1ccc2oc3ccccc3c2c1-c1c(OS(=O)(=O)C(F)(F)F)ccc2oc3ccccc3c12)C(F)(F)F ZINC000082196725 KK Annotated Unstable O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1[C@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1)S3 ZINC000082196748 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1)S3 ZINC000082196750 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@@H](N1C(=O)/C(=C/c2ccccc2)N=C1c1ccccc1)S3 ZINC000082196752 KK Annotated Anodyne CCOC(=O)c1ccc(C(=O)OCC)n1-c1cc2cc(c1)CSCc1cc(cc(-n3c(C(=O)OCC)ccc3C(=O)OCC)c1)CSC2 ZINC000082196776 KK Annotated Anodyne COc1cc(/C=C2\CCC/C(=C\c3ccc(OC(=O)CCCC[C@H]4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCC[C@H]1CCSS1 ZINC000082196785 KK Annotated Reactive COc1cc(/C=C2\CCC/C(=C\c3ccc(OC(=O)CCCC[C@@H]4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCC[C@H]1CCSS1 ZINC000082196787 KK Annotated Reactive COc1cc(/C=C2\CCC/C(=C\c3ccc(OC(=O)CCCC[C@@H]4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCC[C@@H]1CCSS1 ZINC000082196790 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082196811 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl ZINC000082196813 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl ZINC000082196815 KK Annotated Reactive COc1ccc(CN2C(=O)[C@@H]3Cc4c(OC)c(C)c(OC)c(OC)c4[C@H](/C2=C\c2cc(OC)c(OC)c(C)c2OC)N3C(=O)OC(C)C)cc1 ZINC000082196876 KK Annotated Anodyne O=C1C[C@H](NCCCN[C@@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196877 KK Annotated Anodyne O=C1C[C@@H](NCCCN[C@@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196879 KK Annotated Anodyne O=C1C[C@H](NCCCN[C@H]2CC(=O)c3c(Br)sc(Br)c32)c2c(Br)sc(Br)c21 ZINC000082196880 KK Annotated Anodyne O=c1/c(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2n1[C@@H](c1ccc(Cl)cc1)C=C(c1cc(F)c(Cl)cc1Cl)N=2 ZINC000082196887 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000082196981 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000082196982 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1 ZINC000082196983 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CCc1ccccc1 ZINC000082196984 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082197050 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082197051 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082197052 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082197053 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197059 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197060 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197061 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197062 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197063 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197064 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197065 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197066 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197251 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197253 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197255 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1C1CCCCC1)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197257 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CCc2ccccn2)cc1 ZINC000082197280 KK Annotated Anodyne CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCCc3c(Cl)cccc3Cl)ncnc21 ZINC000082197393 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197426 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197427 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197428 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082197429 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197454 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197455 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197456 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082197457 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197621 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197622 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197623 KK Annotated Anodyne O=C(NCCc1c(Cl)cccc1Cl)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 ZINC000082197624 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082197727 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082197728 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082197729 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082197730 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000082197815 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000082197816 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000082197912 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000082197913 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000082197926 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000082197927 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197944 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197945 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197946 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082197947 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198104 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198105 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198106 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198107 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198208 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198209 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198210 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198211 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198280 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198281 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198282 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198283 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198284 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198285 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198286 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2OC)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198287 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198340 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198341 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198342 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CCc2ccccc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082198343 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198356 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198357 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198358 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082198359 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082198407 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082198408 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082198409 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082198410 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198419 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198420 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198421 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082198422 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198494 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198495 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198496 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2cccc3ccccc23)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198497 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198510 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198511 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198512 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082198513 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198554 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198555 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198556 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082198557 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198748 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198749 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198750 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cc(OC)ccc2OC)C1 ZINC000082198751 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198806 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198807 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198808 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2c(-c3ccccc3)noc2C)C1 ZINC000082198809 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198890 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198891 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198892 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082198893 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000082198924 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000082198925 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000082198926 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2cccnc2SC)C1 ZINC000082198927 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082198956 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082198957 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082198958 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082198959 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198960 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198961 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198962 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082198963 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199021 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199022 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199023 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199024 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199025 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199026 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199027 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2Br)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199028 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199033 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199034 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199035 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199036 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199076 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199077 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199078 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199079 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199108 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199109 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199110 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199111 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199112 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199113 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199114 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199115 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199120 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199121 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199122 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199123 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199250 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199251 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199252 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C2CCCCC2)N(C(=O)CP(=O)(OCC)OCC)C1 ZINC000082199253 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199448 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199449 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199450 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199451 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199452 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199453 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199454 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199455 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199464 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199465 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199466 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082199467 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199572 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199573 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199574 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2cccnc2Oc2ccccc2)C1 ZINC000082199575 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199604 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199606 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199608 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199611 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199642 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199644 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199645 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082199647 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199710 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199712 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199715 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2c(Cl)cccc2Cl)N(C(=O)/C=C/c2ccccc2OCC)C1 ZINC000082199717 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199781 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199784 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199785 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199787 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199789 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199791 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199793 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199797 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199813 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199815 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199819 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199821 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199823 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199825 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199827 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199828 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199829 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199832 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199837 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199840 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199842 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199844 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199845 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199847 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199848 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199850 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199852 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccc(C3CCCCC3)cc2)C1 ZINC000082199853 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200481 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200484 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200486 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200488 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200497 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200500 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200504 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 ZINC000082200506 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200640 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200642 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200643 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)C1 ZINC000082200645 KK Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000082204530 KK Annotated Anodyne O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082204747 KK Annotated Anodyne O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082204978 KK Annotated Anodyne O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000082205113 KK Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000082205117 KK Annotated Anodyne O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000082205268 KK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](Cc1ccccc1)N2 ZINC000082205271 KK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205279 KK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205282 KK Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082205306 KK Annotated Anodyne O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000082205441 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 ZINC000082205497 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](CC1CCCCC1)N2 ZINC000082205624 KK Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082205648 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N2 ZINC000082205778 KK Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)C[C@H](CC2CCCCC2)N3)c1 ZINC000082205804 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 ZINC000082205893 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 ZINC000082206040 KK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1cccc3ccccc13)C[C@H](CC1CCCCC1)N2 ZINC000082206334 KK Annotated Anodyne CC(C)[C@@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206348 KK Annotated Anodyne CC(C)[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 ZINC000082206351 KK Annotated Anodyne O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)C[C@H](CC1CCCCC1)N2 ZINC000082206558 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207238 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207241 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207245 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC(F)(F)F)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207248 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207291 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207293 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207295 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OCC)c2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207299 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207327 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082207331 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207344 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207351 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207354 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207356 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207366 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207369 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207377 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)Cc2ccccc2OCc2ccccc2)C1 ZINC000082207381 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207647 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207651 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207654 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccccc2F)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207657 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207668 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207673 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207676 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(F)cc2)N(C(=O)c2ccccc2OCc2ccccc2)C1 ZINC000082207678 KK Annotated Anodyne CCC(CC)CNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082208370 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082208748 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082208749 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082208751 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000082208753 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000082208755 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000082208758 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@H](CO)CC(C)C)ccc2c1 ZINC000082208760 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)N[C@@H](CO)CC(C)C)ccc2c1 ZINC000082208761 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208793 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208797 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208800 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082208805 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000082208815 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000082208818 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000082208822 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 ZINC000082208826 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)cc1 ZINC000082208850 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)cc1 ZINC000082208853 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@H](c1ccccc1)CN2 ZINC000082208855 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)cc1 ZINC000082208857 KK Annotated Anodyne O=c1c(NCc2cc3ccccc3o2)c2n(c(=O)n1Cc1cccc3ccccc13)[C@@H](c1ccccc1)CN2 ZINC000082208858 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)cc1 ZINC000082208863 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082208866 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082208869 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082208872 KK Annotated Anodyne COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082208876 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000082208879 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000082208882 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000082208884 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000082208887 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082208980 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082208983 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082208986 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082208988 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209068 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209073 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209075 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209079 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209081 KK Annotated Anodyne CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209084 KK Annotated Anodyne CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209086 KK Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@H](c1ccccc1)CN2 ZINC000082209102 KK Annotated Anodyne O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)[C@@H](c1ccccc1)CN2 ZINC000082209106 KK Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@H](c2ccccc2)CN3)c1 ZINC000082209109 KK Annotated Anodyne COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)[C@@H](c2ccccc2)CN3)c1 ZINC000082209111 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209126 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209128 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209131 KK Annotated Anodyne O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082209134 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000082209413 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000082209418 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000082209424 KK Annotated Anodyne COc1ccc(CCCC(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2F)cc1OC ZINC000082209427 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1CC1CCCCC1)[C@H](c1ccccc1)CN2 ZINC000082209478 KK Annotated Anodyne O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1CC1CCCCC1)[C@@H](c1ccccc1)CN2 ZINC000082209480 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@H](c2ccccc2)CN3)cc1 ZINC000082209579 KK Annotated Anodyne CCOc1ccc(CNc2c3n(c(=O)n(Cc4cccc5ccccc45)c2=O)[C@@H](c2ccccc2)CN3)cc1 ZINC000082209582 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082209764 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082209767 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082209989 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082209994 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082209997 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210001 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210220 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210224 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210227 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082210229 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210322 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210326 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210390 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210392 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210396 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cccnc1Oc1ccccc1 ZINC000082210398 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210449 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210453 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210457 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082210463 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000082210480 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000082210483 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000082210488 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 ZINC000082210491 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210586 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210589 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210592 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000082210595 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@H](c1ccccc1)CN2 ZINC000082210648 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 ZINC000082210654 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210689 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210692 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210695 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082210700 KK Annotated Anodyne C[C@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000082210705 KK Annotated Anodyne C[C@@H](NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000082210711 KK Annotated Anodyne C[C@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000082210714 KK Annotated Anodyne C[C@@H](NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1)c1ccc(F)cc1 ZINC000082210719 KK Annotated Anodyne O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082211483 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082211587 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082211592 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082211598 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCOc2ccccc2)cc1 ZINC000082211600 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082211641 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082211645 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082211648 KK Annotated Anodyne O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082211650 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c1 ZINC000082211937 KK Annotated Anodyne COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)c1 ZINC000082211942 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000082212363 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 ZINC000082212368 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@H]1C)C2(C)C ZINC000082212435 KK Annotated Anodyne CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C ZINC000082212438 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000082212467 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccccc2N)cc1 ZINC000082212472 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccccc2N)cc1 ZINC000082212476 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000082212479 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000082212481 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000082212484 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccccc2F)cc1 ZINC000082212488 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000082212491 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000082212494 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCc2ccc(N)cc2)cc1 ZINC000082212499 KK Annotated Clean CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000082212502 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000082212507 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000082212510 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCc2ccc(F)cc2)cc1 ZINC000082212515 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000082212533 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000082212536 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000082212540 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NCCCN(C)c2ccccc2)cc1 ZINC000082212546 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cc1 ZINC000082212550 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cc1 ZINC000082212552 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082212576 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccccc1F ZINC000082212580 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000082212583 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccccc1F ZINC000082212585 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082212605 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082212609 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082212613 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000082212616 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213110 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213111 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213112 KK Annotated Anodyne O=C(NCCc1ccccc1F)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213113 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213114 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213115 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213116 KK Annotated Anodyne O=C(NCCc1ccc(F)cc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213117 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213118 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213119 KK Annotated Anodyne O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213120 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082213121 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccc(C3CCCCC3)cc2)C[C@H]2C[C@@H]1C2(C)C ZINC000082213122 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082213259 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCc1ccccc1F ZINC000082213260 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082213261 KK Annotated Anodyne COc1ccccc1CC(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCc1ccccc1F ZINC000082213262 KK Annotated Anodyne C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213305 KK Annotated Anodyne C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213306 KK Annotated Anodyne C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213307 KK Annotated Anodyne C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213308 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082213399 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082213400 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082213401 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1c(-c2ccccc2)noc1C ZINC000082213402 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213411 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213412 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213413 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)N[C@@H]3CCCC[C@@H]3C3CCCCC3)N(C(=O)c3ccco3)C2)cc1 ZINC000082213414 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213434 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213435 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213436 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)Cc1ccccc1OC ZINC000082213437 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000082213494 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000082213495 KK Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000082213496 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3cccnc3Oc3ccccc3)C2)cc1 ZINC000082213497 KK Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213502 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213503 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213504 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082213505 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082213506 KK Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@@H]2C(=O)NCCC#N)cc1 ZINC000082213507 KK Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082213508 KK Annotated Mild CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccc(C(C)(C)C)cc3)C[C@H]2C(=O)NCCC#N)cc1 ZINC000082213509 KK Annotated Mild CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082213514 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccccc1OCC ZINC000082213515 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213528 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213529 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213530 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213531 KK Annotated Anodyne CC(C)(C)c1ccc(CO[C@@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213532 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213533 KK Annotated Mild CC(C)(C)c1ccc(CO[C@@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213534 KK Annotated Mild CC(C)(C)c1ccc(CO[C@H]2C[C@@H](C(=O)NCCC#N)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)cc1 ZINC000082213535 KK Annotated Mild C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082213557 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082213558 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082213559 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000082213560 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082213580 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082213581 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082213582 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cc(OC)c(OC)cc1Cl ZINC000082213583 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000082213592 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000082213593 KK Annotated Anodyne CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000082213594 KK Annotated Anodyne CCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)CCCc1ccc(OC)c(OC)c1 ZINC000082213595 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082213673 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082213674 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082213675 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1c(Cl)cccc1Cl ZINC000082213676 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082213689 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082213690 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082213691 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OCC)cc1 ZINC000082213692 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213697 KK Annotated Anodyne CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C1 ZINC000082213698 KK Annotated Anodyne C[C@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082213703 KK Annotated Anodyne C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2ccco2)C[C@H]2C[C@@H]1C2(C)C ZINC000082213704 KK Annotated Anodyne CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@@H]2C[C@H](OCc3ccc(C(C)(C)C)cc3)CN2C(=O)c2cnccn2)C1 ZINC000082213709 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082213728 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082213729 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082213730 KK Annotated Anodyne C/C=C(\C)C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCc1ccc(OC)c(OCC)c1 ZINC000082213731 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213884 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)NCc3ccccc3F)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213885 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213886 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCc3ccccc3F)N(C(=O)/C=C/c3ccc(C(C)C)cc3)C2)c1 ZINC000082213887 KK Annotated Anodyne CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213912 KK Annotated Anodyne CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213913 KK Annotated Anodyne CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213914 KK Annotated Anodyne CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082213915 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213916 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213917 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213918 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@H](C(=O)N[C@@H](CO)CC(C)C)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082213919 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214159 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214160 KK Annotated Anodyne CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214161 KK Annotated Anodyne CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2cccc(OC)c2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082214162 KK Annotated Anodyne CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214823 KK Annotated Bother CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214824 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCc3ccc(Cl)cc3)nc2-c2cccc([N+](=O)[O-])c2)C1 ZINC000082214825 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082214883 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082214884 KK Annotated Bother CCOc1ccc(CCNc2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc([N+](=O)[O-])c3)n2)cc1OC ZINC000082214886 KK Annotated Bother CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(F)cc2)C1 ZINC000082214987 KK Annotated Anodyne CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccc(F)cc2)C1 ZINC000082214988 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000082216691 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000082216692 KK Annotated Anodyne COc1cc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC ZINC000082216694 KK Annotated Anodyne CCOCCN(CCOCC)C(=O)c1cnc(N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082216896 KK Annotated Bother C[C@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082217280 KK Annotated Anodyne C[C@@H]1[C@@H](Nc2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(-c4ccccc4)cc3)n2)C[C@H]2C[C@@H]1C2(C)C ZINC000082217282 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218962 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218965 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218968 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082218970 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082219057 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082219058 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082219063 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082219066 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082219112 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082219114 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082219116 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082219118 KK Annotated Anodyne O=[N+]([O-])c1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ncc(-c3ccccc3)s2)c1 ZINC000082219616 KK Annotated Bother C[C@@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082219650 KK Annotated Anodyne C[C@H]1CCCC[C@@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082219652 KK Annotated Anodyne C[C@@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082219657 KK Annotated Anodyne C[C@H]1CCCC[C@H]1Nc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccc(F)cc2)n1 ZINC000082219660 KK Annotated Anodyne COc1ccccc1CNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccco2)n1 ZINC000082219754 KK Annotated Anodyne COc1cc(-c2nc(NCc3ccc(C(C)(C)C)cc3)ncc2-c2nc(C)c(C)s2)cc(OC)c1OC ZINC000082219756 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N4CCCC4)nc3-c3cc(OC)c(OC)c(OC)c3)s2)cc1 ZINC000082219802 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCCc3ccc(C)cc3)nc2-c2cc(OC)c(OC)c(OC)c2)oc1C ZINC000082219828 KK Annotated Anodyne CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219880 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCC4CCCCC4)nc3-c3cccc(C)c3)s2)c1 ZINC000082219881 KK Annotated Anodyne CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219885 KK Annotated Anodyne Cc1cccc(-c2nc(NCC3CCCCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c1 ZINC000082219887 KK Annotated Anodyne CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219888 KK Annotated Anodyne CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)N(C(=O)/C=C/c2ccc(C(C)C)cc2)C1 ZINC000082219892 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220149 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220153 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220157 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220160 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000082220190 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000082220193 KK Annotated Anodyne COc1ccc2cc([C@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000082220195 KK Annotated Anodyne COc1ccc2cc([C@@H](C)C(=O)N3C[C@@H](OCC4CCCCC4)C[C@@H]3C(=O)NCCCSC)ccc2c1 ZINC000082220198 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082220414 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082220417 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082220420 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000082220422 KK Annotated Anodyne C[C@@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220505 KK Annotated Anodyne C[C@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220508 KK Annotated Anodyne C[C@@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1ccc(C2CCCCC2)cc1 ZINC000082220510 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220609 KK Annotated Anodyne CSCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220611 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220612 KK Annotated Anodyne CSCCCNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000082220614 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC ZINC000082220663 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@@H]1C(=O)NCCCSC ZINC000082220665 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC ZINC000082220666 KK Annotated Anodyne CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccc(C(C)(C)C)cc2)C[C@H]1C(=O)NCCCSC ZINC000082220668 KK Annotated Anodyne COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082220744 KK Annotated Anodyne COc1cccc(CO[C@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3ccc(C4CCCCC4)cc3)C2)c1 ZINC000082220746 KK Annotated Anodyne O=[N+]([O-])c1ccc(-c2nc(N3CCOCC3)ncc2-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)cc1 ZINC000082221472 KK Annotated Bother O=[N+]([O-])c1ccc(-c2nc(NCCc3ccc(Cl)cc3)ncc2-c2ncc(-c3ccccc3)s2)cc1 ZINC000082221475 KK Annotated Bother COc1ccc(CCNc2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082221485 KK Annotated Bother CCCCCc1nc(-c2cnc(NCCc3ccc(OC)cc3)nc2-c2ccc([N+](=O)[O-])cc2)oc1C ZINC000082221491 KK Annotated Bother COc1ccc(CCNc2ncc(-c3ncc(-c4ccccc4)s3)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000082221498 KK Annotated Bother CCCOCCCNc1ncc(-c2ncc(-c3ccc(Cl)c(Cl)c3)s2)c(-c2ccccc2C)n1 ZINC000082221524 KK Annotated Anodyne COc1ccc(OC)c(-c2cnc(-c3cnc(NCCc4ccc(F)cc4)nc3-c3ccccc3C)s2)c1 ZINC000082221555 KK Annotated Anodyne COc1ccc(CCN(C)c2ncc(-c3nc(-c4ccccc4)c(C)o3)c(-c3ccccc3C)n2)cc1OC ZINC000082221557 KK Annotated Anodyne CCCCCc1nc(-c2cnc(N(C)CCc3ccc(OC)c(OC)c3)nc2-c2ccccc2C)oc1C ZINC000082221563 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000082221603 KK Annotated Anodyne COc1ccc(-c2cnc(-c3cnc(N[C@H]4C[C@H]5C[C@@H]([C@@H]4C)C5(C)C)nc3-c3ccccc3C)s2)cc1 ZINC000082221605 KK Annotated Anodyne CCCCCc1nc(-c2cnc(NCc3cccc(OC(F)(F)F)c3)nc2-c2ccccc2C)oc1C ZINC000082221610 KK Annotated Anodyne Cc1ccccc1-c1nc(NCc2cccc(OC(F)(F)F)c2)ncc1-c1ncc(-c2ccccc2)s1 ZINC000082221616 KK Annotated Anodyne C[C@@H](Cc1nc2c(NCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082221637 KK Annotated Anodyne C[C@H](Cc1nc2c(NCc3ccccc3)ncnc2n1CCCCOC(=O)C(F)(F)F)c1ccccc1 ZINC000082221639 KK Annotated Anodyne COCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082221691 KK Annotated Anodyne O=C1CCCN1CCCn1c(-c2ccsc2)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 ZINC000082221714 KK Annotated Anodyne O=C(OCCCCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21)C(F)(F)F ZINC000082222728 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@H]2CCCN2C)cc1 ZINC000082222779 KK Annotated Anodyne COc1ccc(-c2nc3c(NCCc4ccc(Cl)cc4Cl)ncnc3n2CC[C@@H]2CCCN2C)cc1 ZINC000082222780 KK Annotated Anodyne O=C(OCCCCn1c(-c2ccc(Cl)cc2)nc2c(NC3CCCCCC3)ncnc21)C(F)(F)F ZINC000082222791 KK Annotated Anodyne CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)C[C@H](CC1CCCCC1)N2 ZINC000082224427 KK Annotated Anodyne CC(C)N(Cc1ccccc1)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000082224941 KK Annotated Bother CC1=CC(O)=CC(=O)/C1=N\c1c(O)cc2oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c3c2c1C ZINC000082230495 KK Annotated Mild O=C(NCCCCc1nc2nc(N3CCC[C@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231712 KK Annotated Anodyne O=C(NCCCCc1nc2nc(N3CCC[C@@H]4CCCC[C@@H]43)ccc2[nH]c1=O)OCc1ccccc1Cl ZINC000082231713 KK Annotated Anodyne CCOc1ccccc1-c1onc(-c2ccc(OC)c(OCc3ccccc3)c2)c1C(=O)NCC(C)(C)CO ZINC000082235124 KK Annotated Anodyne CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(OS(=O)(=O)O)c(Br)c1 ZINC000082430252 KK Annotated Anodyne CC1=C([C@@H]2C[C@H](C)C(=O)O2)CC[C@]23CCCN=C2CC/C=C(\C)[C@@H]2O[C@@H](CC[C@H](O)/C(C)=C/[C@@H]13)C[C@H]2C ZINC000082874037 KK Annotated Anodyne CO[C@@H]1C(C)=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000083920723 KK Annotated Anodyne in-vitro CO[C@@H]1C(C)=C[C@@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]1[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000083920725 KK Annotated Anodyne in-vitro CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000083920893 KK Annotated Anodyne in-vitro CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000083920895 KK Annotated Anodyne in-vitro CC[C@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000083920896 KK Annotated Anodyne in-vitro CC(/C=C/C[C@H](C)/C=C(\C)CC[C@@H]1CC=CC(=O)O1)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000083921162 KK Annotated Anodyne in-vitro CC(/C=C/C[C@@H](C)/C=C(\C)CC[C@@H]1CC=CC(=O)O1)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000083921165 KK Annotated Anodyne in-vitro CC[C@@H]1C=CC(=O)O[C@H]1/C=C/[C@](O)(CCN)[C@@H](C[C@@H](O)/C=C\C=C/[C@@H]1CCC[C@H](OC(=O)CCCCCC(C)C)C1)OP(=O)(O)O ZINC000083921181 KK Annotated Anodyne in-vitro CC[C@H]1C=CC(=O)O[C@H]1/C=C/[C@](O)(CCN)[C@@H](C[C@@H](O)/C=C\C=C/[C@@H]1CCC[C@H](OC(=O)CCCCCC(C)C)C1)OP(=O)(O)O ZINC000083921184 KK Annotated Anodyne in-vitro CC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C3 ZINC000083921200 KK Annotated Anodyne in-vitro CC(/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)=C\C[C@H]1O[C@]2(CC[C@H](C)[C@H](/C=C/C(C)=C/C(=O)O)O2)CC[C@H]1C ZINC000083921377 KK Annotated Anodyne in-vitro CCC[C@H]1C[C@@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000083921656 KK Annotated Anodyne in-vitro CCC[C@H]1C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000083921658 KK Annotated Anodyne in-vitro CCC[C@H]1C[C@@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000083921660 KK Annotated Anodyne in-vitro CCC[C@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@@H](C[C@@H](CCC)N(C)C)O2)[C@H](C)[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1 ZINC000083921661 KK Annotated Anodyne in-vitro CC(/C=C/[C@H]1OC(=O)C=C[C@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000083921682 KK Annotated Anodyne in-vitro CC(/C=C/[C@H]1OC(=O)C=C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000083921685 KK Annotated Anodyne in-vitro CC(/C=C/[C@@H]1OC(=O)C=C[C@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000083921688 KK Annotated Anodyne in-vitro CC(/C=C/[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/CO ZINC000083921689 KK Annotated Anodyne in-vitro C=CC[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)/C=C/CC[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000083921751 KK Annotated Mild in-vitro C=CC[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)/C=C/CC[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000083921753 KK Annotated Mild in-vitro C=CC[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)/C=C/CC[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@H]1C ZINC000083921755 KK Annotated Mild in-vitro C=CC[C@H](C)/C=C(\C)[C@@H](O)[C@H](C)/C=C/CC[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@H]([C@@H](C)C(=O)O)CC[C@@H]1C ZINC000083921758 KK Annotated Mild in-vitro CC[C@]1([C@H]2O[C@@H]([C@H]3O[C@](C)(O)[C@@H](C)C[C@H]3C)C[C@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000083922182 KK Annotated Anodyne in-vitro CC[C@@]1([C@H]2O[C@@H]([C@H]3O[C@](C)(O)[C@@H](C)C[C@H]3C)C[C@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000083922183 KK Annotated Anodyne in-vitro CC[C@]1([C@H]2O[C@@H]([C@H]3O[C@](C)(O)[C@@H](C)C[C@H]3C)C[C@H]2C)CC[C@@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000083922186 KK Annotated Anodyne in-vitro CC[C@@]1([C@H]2O[C@@H]([C@H]3O[C@](C)(O)[C@@H](C)C[C@H]3C)C[C@H]2C)CC[C@@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@H](C)[C@H]([C@@H](C)[C@H](OC)[C@@H](C)C(=O)O)O3)O2)O1 ZINC000083922188 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@@](CC)([C@@H](C)O)O2)C[C@@H]1C ZINC000083922537 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](CC)([C@@H](C)O)O2)C[C@@H]1C ZINC000083922540 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@@](CC)([C@@H](C)O)O2)C[C@@H]1C ZINC000083922542 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@H]2CC[C@@](CC)([C@@H](C)O)O2)C[C@@H]1C ZINC000083922545 KK Annotated Anodyne in-vitro CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)C ZINC000083922615 KK Annotated Bother in-vitro CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@H]1C ZINC000083922791 KK Annotated Anodyne in-vitro CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H]1OC(=O)C=C[C@@H]1C ZINC000083922793 KK Annotated Anodyne in-vitro CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@H]1C ZINC000083922795 KK Annotated Anodyne in-vitro CC(=C/[C@@H](C)C/C=C/C(C)=C/[C@@H](CO)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C ZINC000083922797 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922850 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922852 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922854 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922856 KK Annotated Anodyne in-vitro CC[C@@H](C)C(=O)N[C@@H](C)C(=O)O[C@@H]1C/C=C\C=C\C=C\[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(\C)[C@H](O)[C@@H]1C ZINC000083922858 KK Annotated Anodyne in-vitro CC[C@H](C)C(=O)N[C@@H](C)C(=O)O[C@@H]1C/C=C\C=C\C=C\[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(\C)[C@H](O)[C@@H]1C ZINC000083922860 KK Annotated Anodyne in-vitro CC[C@@H](C)C(=O)N[C@H](C)C(=O)O[C@@H]1C/C=C\C=C\C=C\[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(\C)[C@H](O)[C@@H]1C ZINC000083922862 KK Annotated Anodyne in-vitro CC[C@H](C)C(=O)N[C@H](C)C(=O)O[C@@H]1C/C=C\C=C\C=C\[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(\C)[C@H](O)[C@@H]1C ZINC000083922863 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922943 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922944 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922946 KK Annotated Anodyne in-vitro CO[C@H]1/C=C/C=C/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C2=CCCCC2)[C@H](C)[C@@H](O)/C(C)=C/CCc2cc(O)cc(c2)NC(=O)C1 ZINC000083922947 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000083922984 KK Annotated Anodyne in-vitro C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000083922985 KK Annotated Anodyne in-vitro C=C1OC(=O)C(C(=O)[C@H](C)[C@H]2[C@@H](C)CCC[C@H]2/C=C(\CO)[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@H]([C@@H](C)OC)O3)CC[C@@H]2C)=C1O ZINC000083923126 KK Annotated Mild in-vitro C=C1OC(=O)C(C(=O)[C@H](C)[C@@H]2[C@@H](C)CCC[C@H]2/C=C(\CO)[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@H]([C@@H](C)OC)O3)CC[C@@H]2C)=C1O ZINC000083923129 KK Annotated Mild in-vitro C=C1OC(=O)C(C(=O)[C@H](C)[C@H]2[C@@H](C)CCC[C@H]2/C=C(\CO)[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@@H]([C@@H](C)OC)O3)CC[C@@H]2C)=C1O ZINC000083923130 KK Annotated Mild in-vitro C=C1OC(=O)C(C(=O)[C@H](C)[C@@H]2[C@@H](C)CCC[C@H]2/C=C(\CO)[C@H]2O[C@@H](/C=C/C[C@@H]3CC[C@@H]([C@@H](C)OC)O3)CC[C@@H]2C)=C1O ZINC000083923132 KK Annotated Mild in-vitro CO[C@H]1C[C@@]2(O)/C(CO)=C\C=C/[C@@H](C)C/C(C)=C\C[C@H]3C[C@@H](C[C@]4(CC[C@@H](C)[C@@H](C(C)C)O4)O3)OC(=O)[C@H]2C=C1C ZINC000083923347 KK Annotated Anodyne in-vitro CC(C)=CC(=O)OCC1=C[C@H]2C(=O)O[C@H]3C[C@H](C/C=C(/C)C[C@H](C)/C=C/C=C4/CO[C@@H]([C@H]1O)[C@@]42O)O[C@]1(CC[C@@H](C)[C@@H](C)O1)C3 ZINC000083923734 KK Annotated Anodyne in-vitro CCCCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O ZINC000083923856 KK Annotated Anodyne C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000083924019 KK Annotated Anodyne in-vitro C=C1CC[C@@H](Cl)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924185 KK Annotated Reactive in-vitro C=C1CC[C@H](Cl)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924190 KK Annotated Reactive in-vitro C=C1CC[C@@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924192 KK Annotated Reactive in-vitro C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924193 KK Annotated Reactive in-vitro CC1(C)[C@@H](Cl)CC[C@](C)(O)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924198 KK Annotated Reactive in-vitro C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@]2(C/C=C(\C)CC[C@H]1Cl)C3=O ZINC000083924202 KK Annotated Reactive in-vitro C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@H]1Cl)C3=O ZINC000083924203 KK Annotated Reactive in-vitro C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@H](Cl)C(C)(C)O[C@]2(C/C=C(\C)CC[C@H]1Cl)C3=O ZINC000083924204 KK Annotated Reactive in-vitro C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@H]1Cl)C3=O ZINC000083924205 KK Annotated Reactive in-vitro CC[C@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@@](CC)(C[C@@H](C)O)O2)C[C@H]1C ZINC000083924367 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@H]1O[C@](CC)([C@@H]2CC[C@@](CC)(C[C@@H](C)O)O2)C[C@H]1C ZINC000083924369 KK Annotated Anodyne in-vitro CC[C@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](CC)(C[C@@H](C)O)O2)C[C@H]1C ZINC000083924371 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)CCc1ccc(C)c(O)c1C(=O)O)[C@@H]1O[C@](CC)([C@@H]2CC[C@@](CC)(C[C@@H](C)O)O2)C[C@H]1C ZINC000083924374 KK Annotated Anodyne in-vitro Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O ZINC000083924482 KK Annotated Reactive in-vitro Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O ZINC000083924483 KK Annotated Reactive in-vitro Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O ZINC000083924485 KK Annotated Reactive in-vitro C=C1CC[C@@H](Br)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924489 KK Annotated Reactive in-vitro C=C1CC[C@H](Br)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924490 KK Annotated Reactive in-vitro C=C1CC[C@@H](Br)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924492 KK Annotated Reactive in-vitro C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000083924493 KK Annotated Reactive in-vitro CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(=O)OC(C)(C)C)[C@@H](C)N1C(=O)c1ccccc1 ZINC000084153820 KK Annotated Anodyne in-vitro biogenic CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](OC(=O)OC(C)(C)C)[C@@H](C)N1S(C)(=O)=O ZINC000084153827 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@H](OC(=O)CCC)C[C@@]23C(=C[C@H](O[CH2-])C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153860 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCCCCCCCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000084153880 KK Annotated Mild in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCCCCCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OCC)O[C@H]3OC(C)=O ZINC000084153883 KK Annotated Mild in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)C[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(=O)CCC ZINC000084153894 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=O)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(C)=O)O[C@H]3OC(=O)CCC ZINC000084153905 KK Annotated Anodyne in-vitro biogenic COc1cc(/C=C/C(=O)O[C@@H]2CC[C@H](CCCCCCCCCCCCC(C)=O)N[C@@H]2C)ccc1O ZINC000084153998 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)CCC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000084154233 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C\C[C@]1(C)[C@H](C)[C@@H](OC(=C)CCC)[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC)C[C@@H]12)[C@@H](OC(=O)CCC)O[C@H]3OC(C)=O ZINC000084154286 KK Annotated Mild in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccc(O)cc2)[C@]23C(=C[C@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000084154341 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]23C(=C[C@@H](OC(C)=O)C[C@H]12)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000084154382 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)c4ccccc4)C[C@H]12)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000084154431 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccccc2)[C@]23C(=C[C@H](O)C[C@H]12)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000084154455 KK Annotated Anodyne in-vitro biogenic C=C/C(C)=C/C[C@@]1(C)[C@@H](C)C[C@@H](OC(=O)/C=C/c2ccccc2)[C@]23C(=C[C@@H](O)C[C@H]12)[C@H](OC(C)=O)C[C@H]3OC(C)=O ZINC000084154468 KK Annotated Anodyne in-vitro biogenic C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](O)[C@H](OC(=O)/C=C/C=C/CCCCC)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000084154496 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@]1(C)[C@@H]2C[C@H](O)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@H](OC(=O)/C=C/C=C/CCCCC)[C@@H](O)[C@@H]1C ZINC000084154501 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/C=C/CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O ZINC000084154505 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@]1(C)[C@@H]2C[C@H](O)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@H](O)[C@@H](OC(=O)/C=C/C=C/CCCCC)[C@@H]1C ZINC000084154508 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@]1(C)[C@H](C)[C@@H](OC(=O)/C=C/C=C/CCCCC)[C@H](O)[C@@]23C(=C[C@H](O)C[C@@H]12)[C@@H](OC)O[C@@H]3OC(C)=O ZINC000084154512 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@]1(C)[C@@H]2C[C@H](O)C=C3[C@H](OC)O[C@@H](OC(C)=O)[C@@]32[C@H](O)[C@@H](OC(=O)/C=C/C=C/CCCCC)[C@@H]1C ZINC000084154517 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@@]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](C)CC)C=C3[C@@H](OC(=O)CCC)O[C@@H](OC(C)=O)[C@]32[C@@H](O)C[C@H]1C ZINC000084154558 KK Annotated Mild in-vitro biogenic COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=Cc5c(C#N)c(C#N)cc6c5C(=CC(=O)C6=O)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 ZINC000084154696 KK Annotated Mild in-vitro biogenic CC(=O)Oc1cc2c(cc1Cl)C(c1c(C(=O)O)cccc1C(=O)O)c1cc(Cl)c(OC(C)=O)cc1O2 ZINC000084385925 KK Annotated Anodyne C[C@H](N)c1ccc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)c(-c4ccncc4)n3C)CC2)cc1 ZINC000084394865 KK Annotated Clean O=C1c2cc(Cl)nnc2Oc2cc(C(F)(F)F)ccc2N1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000084403311 KK Annotated Anodyne O=C1c2cc(Cl)nnc2Oc2ccc(C(F)(F)F)cc2N1CCCN1CCN(Cc2ccccc2)CC1 ZINC000084403314 KK Annotated Anodyne C[C@H](C[C@](O)(CC(=O)O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@H](CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]2(C)CC1 ZINC000084403320 KK Annotated Anodyne C[C@H](C[C@](O)(CC(=O)O)[C@@H]1OC1(C)C)C1=C2C[C@H](O)[C@@H]3[C@H](CC[C@@H]4C(C)(C)C(=O)CC[C@@]43C)[C@@]2(C)CC1 ZINC000084403322 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@]1(C)c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(Br)c3c1[C@](C)(C2)N(C)CC3 ZINC000084403323 KK Annotated Anodyne O=C(CC(=O)Nc1cc(Br)c(O)c(Br)c1)Nc1cc(Br)c(O)c(Br)c1 ZINC000084415186 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000084462502 KK Annotated Anodyne CC(C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000084462503 KK Annotated Anodyne CC(C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCc1cc(O)ccc1O ZINC000084462504 KK Annotated Anodyne COc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(O)c3ncccc23)c2cccnc12 ZINC000084466484 KK Annotated Anodyne CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@](=O)c2ccccc2)=N1 ZINC000084495570 KK Annotated Reactive CC(C)[C@@H](Cn1cc(CO[P@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000084538166 KK Annotated Anodyne CC(C)[C@@H](Cn1cc(CO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C ZINC000084538168 KK Annotated Anodyne COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084541507 KK Annotated Bother COCCCNc1ccnc(NCc2cccc(CNC(=O)c3ccc(Cc4cc5c(cc4C)C(C)(C)CCC5(C)C)o3)c2)n1 ZINC000084544185 KK Annotated Anodyne C=C[C@]1(C)CCC2=C1C[C@H](O)[C@H]1[C@H]2CC[C@H]2Cc3nc4c(nc3C[C@@]21C)C[C@@H]1CC[C@H]2C3=C(C[C@H](O)[C@@H]2[C@@]1(C)C4)[C@](C)(C=C)CC3 ZINC000084544570 KK Annotated Mild C=C(C(=O)[C@H](O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CNC(=O)OC(C)(C)C ZINC000084544596 KK Annotated Anodyne C[C@H]1N[C@@H](CCCCCCCCCCC2=C[C@@H](CCCCCCCCCC[C@H]3CC[C@@H](O)[C@@H](C)N3)[C@@H]3CCCN3C2)CC[C@H]1O ZINC000084549411 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)[C@@H]2C[C@@H](C3OCCO3)ON2O[C@H](O[C@@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000084554848 KK Annotated Anodyne CC[C@]1(Cc2ccc(OC)c(OC)c2)[C@@H]2C[C@@H](C3OCCO3)ON2O[C@H](O[C@H]2CCCC2(c2ccccc2)c2ccccc2)[C@@H]1OC(C)=O ZINC000084554850 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CNC(=O)OC(C)(C)C ZINC000084559410 KK Annotated Anodyne c1ccc(-c2nc(-c3ccccc3SSc3ccccc3-c3nc(-c4ccccc4)nn3-c3ccccc3)n(-c3ccccc3)n2)cc1 ZINC000084564469 KK Annotated Reactive CC[C@H](C)[C@H](/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@H](C(=O)O)[C@@H](C)CC)c4c3O)c(O)c12)C(=O)O ZINC000084566846 KK Annotated Mild CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000084567124 KK Annotated Anodyne Clc1ccc2nc(-c3ccc(Oc4c(-c5ccc6ccccc6c5)nc5ccc(Cl)cc5c4-c4ccccc4)cc3)cc(-c3ccccc3)c2c1 ZINC000084567155 KK Annotated Anodyne O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1CCS(=O)(=O)O ZINC000084581645 KK Annotated Clean COP(=O)(CC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OC ZINC000084581978 KK Annotated Anodyne COP(=O)(CC(=O)[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OC ZINC000084581979 KK Annotated Anodyne O=C(N/N=C/c1ccc(O)cc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000084586541 KK Annotated Reactive CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)c1c(C)cnn1C ZINC000084586552 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1CCC(C)C ZINC000084586555 KK Annotated Mild CC(=O)[C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(=O)c5ccccc5)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000084586827 KK Annotated Anodyne COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084586831 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CC[C@H](c4ccccc4)CN(Cc4ccccc4)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084586834 KK Annotated Anodyne CC(C)(C)OC(=O)Cn1cc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c2ccccc21 ZINC000084586856 KK Annotated Reactive CC(C)(C)OC(=O)Cn1cc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c2ccccc21 ZINC000084586859 KK Annotated Reactive COc1ccccc1/C=C1\C(=O)c2cc(OC)c(OC)c(OC)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000084586935 KK Annotated Mild COc1ccccc1/C=C1\C(=O)c2cc(OC)c(OC)c(OC)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000084586938 KK Annotated Mild O=C(N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(C(F)(F)F)CC1 ZINC000084586991 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1 ZINC000084587297 KK Annotated Mild CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#CI)c1cccc(Oc2ccccc2)c1 ZINC000084587445 KK Annotated Mild CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#CBr)c1cccc(Oc2ccccc2)c1 ZINC000084587449 KK Annotated Mild CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#CCl)c1cccc(Oc2ccccc2)c1 ZINC000084587452 KK Annotated Mild CCn1nc(Cc2cccc(C#N)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084587672 KK Annotated Mild COc1ccc(-n2c(S[C@H](C)C(=O)Nc3nc(C)c(Br)cc3Br)nc3ccccc32)cc1 ZINC000084587692 KK Annotated Anodyne COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3nc(C)c(Br)cc3Br)nc3ccccc32)cc1 ZINC000084587694 KK Annotated Anodyne O=C(c1cccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)c1)N(C1CCCCCC1)C1CC1 ZINC000084587707 KK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)Nc2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 ZINC000084587992 KK Annotated Reactive O=C(N/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000084587994 KK Annotated Reactive O=C(N/N=C/c1ccc(Cl)cc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000084587998 KK Annotated Reactive O=C(N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(C(F)(F)F)CCCC1 ZINC000084588005 KK Annotated Anodyne O=C(N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(C(F)(F)F)CCC1 ZINC000084588008 KK Annotated Anodyne CCn1nc(Cc2ccc(OC(F)F)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595489 KK Annotated Anodyne CCn1nc(Cc2ccc(C(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595490 KK Annotated Anodyne CCn1nc(Cc2ccc(O)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000084595519 KK Annotated Anodyne FC(F)(F)c1cc(/N=C/c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc(C(F)(F)F)c1 ZINC000084596053 KK Annotated Mild CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#CCC(F)(F)F)c1cccc(Oc2ccccc2)c1 ZINC000084596168 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccc(OCc2ccccc2)cc1 ZINC000084596223 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccccc1 ZINC000084596224 KK Annotated Mild O=C(c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)N(C1CCCCCC1)C1CC1 ZINC000084596231 KK Annotated Anodyne CN(C(=O)c1ccc(CN2C(=O)Nc3ccc(Cl)cc3S2(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000084596234 KK Annotated Anodyne COC(=O)N[C@H](/C(F)=C1\CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5CCC/C5=C(/F)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)C(C)C ZINC000084596284 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCN(C)C ZINC000084596324 KK Annotated Mild COc1ccc([C@@H](Cc2ccc(-c3cc(C(=O)O)on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000084596402 KK Annotated Anodyne COc1ccc([C@H](Cc2ccc(-c3cc(C(=O)O)on3)cc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000084596403 KK Annotated Anodyne COc1ccc([C@@H](Cc2ccc(-c3nc(C(=O)O)cs3)cc2)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000084596406 KK Annotated Anodyne COc1ccc([C@H](Cc2ccc(-c3nc(C(=O)O)cs3)cc2)c2nc(-c3cccc(F)c3)no2)cc1 ZINC000084596407 KK Annotated Anodyne O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000084596441 KK Annotated Reactive O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccccc1/C=N/OCc1ccc(Cl)cc1Cl ZINC000084596443 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Cl)cc1/C=N\OCc1ccccc1F ZINC000084596447 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Cl)cc1/C=N\OCc1ccccc1Cl ZINC000084596449 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Cl)cc1/C=N\OCc1ccc(Cl)cc1Cl ZINC000084596451 KK Annotated Mild NS(=O)(=O)c1cc(Cl)cc(CNc2nc(NC3(C(F)(F)F)CC3)c3nc(-c4ccc(F)cc4)ccc3n2)c1 ZINC000084596549 KK Annotated Anodyne FC(F)(F)c1cc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc(C(F)(F)F)c1 ZINC000084596576 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@H](C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000084596595 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@H](NC(=O)C1CCCCC1)C(C)C)CC/C(C)=C/CC2 ZINC000084596596 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000084596597 KK Annotated Anodyne O=C(N/N=C/c1ccccc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000084596618 KK Annotated Reactive O[C@]1(c2ccc(F)c(F)c2)CCNC[C@@H]1c1onc(-c2cccc(Cl)c2Cl)c1Br ZINC000084596658 KK Annotated Anodyne CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1C[C@@H](C2CC2)N(C(=O)OC(C)C)c2ccc(C(F)(F)F)nc21 ZINC000084596662 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3 ZINC000084596696 KK Annotated Anodyne O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000084596708 KK Annotated Anodyne O=C([C@H]1C=C[C@@H](c2ccc3c(c2)OCO3)[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000084596709 KK Annotated Anodyne O=C([C@H]1C=C[C@H](c2ccc3c(c2)OCO3)[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000084596710 KK Annotated Anodyne O=C([C@H]1C=C[C@H](c2ccc3c(c2)OCO3)[C@H](/C=C/c2ccc3c(c2)OCO3)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 ZINC000084596711 KK Annotated Anodyne COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3ccc4ccccc4c3)nn2)ccc1-n1cnc(C)c1 ZINC000084596716 KK Annotated Anodyne COc1cc(-c2cn(CC(=O)N(CC(F)(F)F)c3cccc4ccccc34)nn2)ccc1-n1cnc(C)c1 ZINC000084596717 KK Annotated Anodyne CCNc1ccc2c(n1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)C[C@@H](CC)N2C(=O)OC(C)C ZINC000084596730 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N3CCCC3)ccc2N1C(=O)OC(C)C ZINC000084596731 KK Annotated Anodyne Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc(O)cc2)cc1 ZINC000084596821 KK Annotated Reactive O=C(/C=C/c1cc(Cl)cc(Cl)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000084596827 KK Annotated Mild O=C(/C=C/c1cccc(Br)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000084596828 KK Annotated Mild COc1cc(Br)c(C(=O)c2cc(OC)c(OC)c(Br)c2Br)cc1OC ZINC000084596837 KK Annotated Anodyne O=C(/C=C/c1cccc(Cl)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000084596843 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)CNC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000084596856 KK Annotated Anodyne c1ccc(NP2(Nc3ccccc3)=N[P@@]34=N[P@@]5(=N2)NCCCN5CCCCN3CCCN4)cc1 ZINC000084596861 KK Annotated Anodyne c1ccc(NP2(Nc3ccccc3)=N[P@@]34=N[P@]5(=N2)NCCCN5CCCCN3CCCN4)cc1 ZINC000084596862 KK Annotated Anodyne Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 ZINC000084596873 KK Annotated Reactive Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000084596874 KK Annotated Reactive COc1cc(/C=N/NC(=O)Nc2ccc(-n3c(C)nc4c(Br)cc(Br)cc4c3=O)cc2)ccc1O ZINC000084596875 KK Annotated Reactive O=C(/C=C/c1cccc(Cl)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000084596879 KK Annotated Mild O=C(/C=C/c1cc(Br)cc(Br)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000084596880 KK Annotated Mild O=C(/C=C/c1cc(Cl)cc(Cl)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000084596881 KK Annotated Mild O=C(/C=C/c1cccc(Br)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000084596882 KK Annotated Mild COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cc(Br)ccc3Br)nc3ccccc32)cc1 ZINC000084596896 KK Annotated Anodyne COc1ccc(-n2c(S[C@H](C)C(=O)Nc3cc(Br)ccc3Br)nc3ccccc32)cc1 ZINC000084596897 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)c5cc6ccccc6[nH]5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084596928 KK Annotated Anodyne COc1cc([C@H]2/C(=C/c3ccc(C(F)(F)F)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084596968 KK Annotated Mild COc1cc([C@@H]2/C(=C/c3ccc(C(F)(F)F)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084596969 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCO)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084596982 KK Annotated Mild CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2ccc(CCC(=O)O)c3c2ccn3C)s1 ZINC000084597017 KK Annotated Anodyne CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)c1nnc(-c2cccc3c2c(Cl)cn3CCC(=O)O)s1 ZINC000084597018 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)CN(C(=O)c2ccccc2C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)C/C1=C\c1ccccc1 ZINC000084597024 KK Annotated Mild COCCCC[C@@](O)(c1cccc(Cl)c1F)[C@@H]1CCCN(C(=O)NC[C@@H](N)CC2CCCCC2)C1 ZINC000084597066 KK Annotated Anodyne CC(=O)[C@]1(OC(=O)c2cccnc2)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084597104 KK Annotated Anodyne CC(C)[C@H](C(=O)N1CCC(NCCC2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084597194 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OCC(C)C)nn2)CC1 ZINC000084597561 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(OC(=O)c4cccnc4)CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084602033 KK Annotated Anodyne COc1cc2c(c3oc4cccc(C)c4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084602180 KK Annotated Bother O=[N+]([O-])c1ccc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084602262 KK Annotated Mild COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000084602463 KK Annotated Bother COc1ccc2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000084602465 KK Annotated Bother COc1ccc2oc3c4c(cc(OC)c3c(=O)c2c1)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]4OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000084602467 KK Annotated Bother COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)O)c3ccc(Br)cc3)c2)c(OC)c1 ZINC000084602528 KK Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)O)c3ccc(Br)cc3)c2)c(OC)c1 ZINC000084602531 KK Annotated Anodyne C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000084602781 KK Annotated Mild C=CCN1C(=O)/C(=C/c2cccs2)N=C1S[C@@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000084602784 KK Annotated Mild CC(C)[C@H](C(=O)N1CCC(N[C@H](C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602859 KK Annotated Anodyne CC(C)[C@H](C(=O)N1CCC(NC(C)(C)c2ccccc2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602861 KK Annotated Anodyne CC(C)[C@H](C(=O)N1CCC(N[C@H](C)C2CCCCC2)CC1)N1CC(=O)Nc2ccc(Oc3ccccc3)cc2C1=O ZINC000084602864 KK Annotated Anodyne FC(F)(F)c1nn(-c2ccccc2)c(-c2ccc(Cl)cc2)c1/C=N/c1ccc(Br)cc1 ZINC000084602867 KK Annotated Mild CCOC(=O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(=O)Nc2ccncc2)cc1C ZINC000084603186 KK Annotated Clean O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CC2)n(Cc2cc(F)ccc2F)c2ccc(CC(F)(F)F)cc12 ZINC000084603190 KK Annotated Mild COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@H](C(=O)O)c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000084603369 KK Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(N[C@@H](C(=O)O)c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000084603371 KK Annotated Anodyne CCCCCS(=O)(=O)/N=C(O)/C=C/c1ccc(OCCOC2CC2)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000084603484 KK Annotated Mild FC(F)(F)c1cc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc(C(F)(F)F)c1 ZINC000084603485 KK Annotated Mild COC(=O)c1cccc(-c2ccc(-c3ccc(CN(C(=O)CN(C)S(=O)(=O)c4ccc(C)cc4)c4ccc(C(=O)O)c(O)c4)cc3)cc2)c1 ZINC000084603608 KK Annotated Anodyne COC(=O)[C@]1(CCC(C)=O)C(=O)C=CN([C@H](C)c2ccccc2)[C@@H]1Cc1ccc(OC)c(OCc2ccccc2)c1I ZINC000084603644 KK Annotated Mild Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12 ZINC000084603735 KK Annotated Anodyne Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCC3)ccn2)cc2cn[nH]c12 ZINC000084603737 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@H]1C ZINC000084603751 KK Annotated Anodyne CCCCCS(=O)(=O)/N=C(\O)CCc1ccc(OCC(=O)N(CC)CC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000084603778 KK Annotated Mild CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)N=C(c2ccc(N(CC)CC)cc2)c2ccccc2C1=S ZINC000084603806 KK Annotated Clean CC(=O)C[C@@]1(O)C(=O)c2oc3cc4c(c(O)c3c(=O)c2C(CC=C(C)C)(CC=C(C)C)C1=O)C=CC(C)(C)O4 ZINC000084603940 KK Annotated Anodyne CC(=O)C[C@]1(O)C(=O)c2oc3cc4c(c(O)c3c(=O)c2C(CC=C(C)C)(CC=C(C)C)C1=O)C=CC(C)(C)O4 ZINC000084603942 KK Annotated Anodyne Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12 ZINC000084604084 KK Annotated Anodyne Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCCC3)ccn2)cc2cn[nH]c12 ZINC000084604086 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@@H]1C ZINC000084604091 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(=O)/C=C/c2ccccc2)[C@@H](C)[C@H]1C)OCO3 ZINC000084604092 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)/C=C\c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000084604094 KK Annotated Anodyne C/C=C(/C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)[C@H]2OC(=O)/C(C)=C\C ZINC000084604096 KK Annotated Anodyne CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N=C1c1ccccc1 ZINC000084604538 KK Annotated Clean CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)N=C(c2ccc(C)cc2)c2ccccc2C1=S ZINC000084604924 KK Annotated Clean CC1(c2ccc3c(c2)c(-c2ccc[nH]c2=O)c(/C(O)=N/S(=O)(=O)C2CC2)n3Cc2cc(F)ccc2F)CC1 ZINC000084605322 KK Annotated Mild COC(=O)c1ccc2[nH]cc(C3(c4c[nH]c5ccc(C(=O)OC)cc45)C(=O)Nc4ccc(Cl)cc43)c2c1 ZINC000084605440 KK Annotated Anodyne Cc1cccc(-n2c([C@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@H]3COC(C)(C)O3)nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000084610148 KK Annotated Anodyne Cc1cccc(-n2c([C@@H]3OC(C)(C)O[C@H]3[C@@H](O)[C@H]3COC(C)(C)O3)nc(-c3ccccc3)c2-c2ccccc2)c1 ZINC000084610149 KK Annotated Anodyne O=C1/C(=C/c2ccccc2)CN(C(=O)/C=C/C=C/C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)C/C1=C\c1ccccc1 ZINC000084614635 KK Annotated Mild CCCCCS(=O)(=O)/N=C(\O)CCc1ccc(OCCN2CCCC2=O)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000084614662 KK Annotated Mild O=C(NCc1cc([N+](=O)[O-])ccc1N1CCc2ccccc2C1)NCc1cc([N+](=O)[O-])ccc1N1CCc2ccccc2C1 ZINC000084614918 KK Annotated Bother COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Br)cc1 ZINC000084614958 KK Annotated Anodyne COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Br)cc1 ZINC000084614962 KK Annotated Anodyne O=S(=O)(Nc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1)c1ccc(Br)cc1 ZINC000084615245 KK Annotated Anodyne COc1cc2c(c3oc4c(C)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084615361 KK Annotated Bother COc1cc2c(c3oc4cc(C)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084615364 KK Annotated Bother COc1cc2c(c3oc4ccc(C)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084615365 KK Annotated Bother O=C(OCc1ccccc1)c1cccc(OC(=O)N2C(=O)[C@@H](Cc3ccc(O)cc3)[C@H]2C(=O)OCc2ccccc2)c1 ZINC000084615448 KK Annotated Anodyne CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)C3CC3)cc2)cc(C(=O)Nc2ncc(F)s2)c1 ZINC000084615542 KK Annotated Anodyne COC(=O)[C@@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Cl)cc1 ZINC000084615799 KK Annotated Anodyne COC(=O)[C@H](Nc1cc(CS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Cl)cc1 ZINC000084615801 KK Annotated Anodyne FC(F)(F)c1cc(-c2csc(N/N=C(/Cn3nnc4ccccc43)c3ccc(Br)cc3)n2)cc(C(F)(F)F)c1 ZINC000084615872 KK Annotated Mild O=S(=O)(Nc1ccc(-c2cc(Nc3cccc(C(F)(F)F)c3)ncn2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000084615908 KK Annotated Anodyne COc1cc([C@H]2/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084616188 KK Annotated Mild COc1cc([C@@H]2/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084616190 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(OCc2ccccc2)c1 ZINC000084616338 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1OCc1ccccc1 ZINC000084616394 KK Annotated Mild Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12 ZINC000084616487 KK Annotated Anodyne Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2cc(CN3CCCCC3)ccn2)cc2cn[nH]c12 ZINC000084616490 KK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000084616598 KK Annotated Mild COc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000084616599 KK Annotated Mild O=C(c1cc(O)c(O)c(Br)c1Br)c1c(Br)c(O)c(O)c(Br)c1Br ZINC000084616637 KK Annotated Clean COc1ccc(C(=O)NN2C3=C(C(=O)CC(C)(C)C3)C(c3ccccc3OCc3ccccc3)C3=C2CC(C)(C)CC3=O)c(OC)n1 ZINC000084616825 KK Annotated Mild COc1ccc(C(=O)NN2C3=C(C(=O)CC(C)(C)C3)C(c3cccc(OCc4ccccc4)c3)C3=C2CC(C)(C)CC3=O)c(OC)n1 ZINC000084616827 KK Annotated Mild CCCCCS(=O)(=O)/N=C(O)/C=C/c1ccc(OCCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000084617015 KK Annotated Mild CC(C)=CCC1(CC=C(C)C)C(=O)[C@@](O)(CC=C(C)C)C(=O)c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4 ZINC000084617164 KK Annotated Anodyne CC(C)=CCC1(CC=C(C)C)C(=O)[C@](O)(CC=C(C)C)C(=O)c2oc3cc4c(c(O)c3c(=O)c21)C=CC(C)(C)O4 ZINC000084617166 KK Annotated Anodyne COc1ccc([P+](CCCCCCCCCCC2=C(C)C(=O)c3ccccc3C2=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000084617179 KK Annotated Reactive CC1=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000084617181 KK Annotated Reactive COC(=O)N[C@H](/C(F)=C(\C)[C@@H](C)c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@H](C)/C(C)=C(\F)[C@@H](NC(=O)OC)C(C)C)n4)cc3)cc2)c[nH]1)C(C)C ZINC000084617267 KK Annotated Anodyne Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc(Cl)cc2)cc1 ZINC000084617299 KK Annotated Reactive O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000084617315 KK Annotated Reactive CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCN1CCOCC1 ZINC000084617319 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCN1CCN(C)CC1 ZINC000084617321 KK Annotated Mild O=C1CN(Cc2cc(-c3ccc(Cl)s3)on2)CCN1CCCCCCCCCCN1CCN(Cc2cc(-c3ccc(Cl)s3)on2)CC1=O ZINC000084617510 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2c(NC(=O)c3ccc4c(c3)C=CC(C)(C)O4)c(=O)n(C)c3ccccc23)cc1 ZINC000084617620 KK Annotated Anodyne CC[C@H]1C[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084617715 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N(C)C)ccc2N1C(=O)OC(C)C ZINC000084617718 KK Annotated Anodyne CC1=C(CCCCCCCCCC[P+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc2C1=O ZINC000084617961 KK Annotated Mild CCCC[P+](CCCC)(CCCC)CCCCCCCCCCC1=C(C)C(=O)c2ccccc2C1=O ZINC000084617962 KK Annotated Mild CC1=C(CCCCCCCCCC[P+](c2ccccc2C)(c2ccccc2C)c2ccccc2C)C(=O)c2ccccc2C1=O ZINC000084617964 KK Annotated Reactive Cc1cc2c(-c3ccc[nH]c3=O)c(/C(O)=N/S(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1C(F)(F)F ZINC000084618117 KK Annotated Mild O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)C2CC2)n(Cc2cc(F)ccc2F)c2cc(F)c(C(F)(F)F)cc12 ZINC000084618120 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N)ccc2N1C(=O)OC(C)C ZINC000084618354 KK Annotated Anodyne C#C[C@@H](OC(=O)[C@@H]1[C@H](C=C(Br)Br)C1(C)C)c1cccc(Oc2ccccc2)c1 ZINC000084618384 KK Annotated Mild O=C(C[C@@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccc(C3=NCCN3)cc2)CC1 ZINC000084618510 KK Annotated Anodyne O=C(C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccc(C3=NCCN3)cc2)CC1 ZINC000084618514 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(Br)ccc2N1C(=O)OC(C)C ZINC000084618570 KK Annotated Anodyne COc1cc2c(c3oc4c(F)cccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084618643 KK Annotated Bother COc1cc2c(c3oc4ccc(F)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084618644 KK Annotated Bother O=C1C=C(CCCCCCCCCC[P+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)C(=O)c2ccccc21 ZINC000084618703 KK Annotated Mild COc1cc2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000084618868 KK Annotated Bother CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC1CCOCC1 ZINC000084618882 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC1CCN(C)CC1 ZINC000084618884 KK Annotated Mild Nc1nc2ccccc2c2c1nc(CCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1 ZINC000084618886 KK Annotated Anodyne O=C(c1cnc(Cl)cc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084618983 KK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Br)cc(Br)cc1/C=N/OCc1ccc(Cl)cc1Cl ZINC000084619021 KK Annotated Mild O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000084619106 KK Annotated Reactive O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000084619108 KK Annotated Reactive O=C1C=C(CCCCCCCCCC[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)c2ccccc21 ZINC000084619172 KK Annotated Reactive O=C1C=C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000084619174 KK Annotated Reactive Cc1cc2c(-c3ccc[nH]c3=O)c(/C(O)=N/S(=O)(=O)C3CC3)n(Cc3cc(F)ccc3F)c2cc1Cl ZINC000084619304 KK Annotated Mild CC1(C)Oc2ccc3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000084619419 KK Annotated Bother CC1(C)Oc2cc(O)c3c(=O)c4ccccc4oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000084619421 KK Annotated Bother COc1cc(-c2cn([C@H]3C[C@@H](C(C)(C)C)CCN(CC45CC6CC(CC(C6)C4)C5)C3=O)nn2)ccc1-n1cnc(C)c1 ZINC000084619459 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCc1nnn[nH]1 ZINC000084619471 KK Annotated Mild CC1=C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000084619474 KK Annotated Reactive CC1=C(CCCCCCCCCC[P+](C2CCCCC2)(C2CCCCC2)C2CCCCC2)C(=O)c2ccccc2C1=O ZINC000084619476 KK Annotated Mild O=C(/C=C/c1cc(Br)cc(Br)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000084619542 KK Annotated Mild O=C(c1ccccc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084619545 KK Annotated Anodyne O=C(N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1(C(F)(F)F)CCCCC1 ZINC000084619549 KK Annotated Anodyne Cn1nc(C(F)(F)F)c(C(=O)N2CCC(c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1Cl ZINC000084619672 KK Annotated Anodyne COc1ccc2c(C(=O)N3CCC(c4cc(F)ccc4F)(S(=O)(=O)c4ccc(Cl)cc4)CC3)cn(C)c2c1 ZINC000084631995 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)c5ccc(Br)cn5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084632064 KK Annotated Anodyne Clc1ccc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084632297 KK Annotated Mild CC(C)=CCOc1cc(Oc2ccc(S(=O)(=O)N3CC[C@H](F)C3)cc2)cc(C(=O)Nc2ncc(F)s2)c1 ZINC000084632380 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](CC(C)C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000084632434 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCC1)CC/C(C)=C/CC2 ZINC000084632439 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](C)NC(C)=O)CC/C(C)=C/CC2 ZINC000084632444 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000084632523 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C#N)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000084632524 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000084632526 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cl)c2)c2nnn(C)n2)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000084632527 KK Annotated Anodyne FC(F)(F)c1cc(-c2csc(N/N=C(/Cn3nnc4ccccc43)c3ccc(Cl)cc3)n2)cc(C(F)(F)F)c1 ZINC000084632809 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N/OCc1ccccc1Cl ZINC000084632973 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N/OCc1ccc(Cl)cc1Cl ZINC000084632975 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Br)cc(Br)cc1/C=N\OCc1ccccc1 ZINC000084632977 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Br)cc(Br)cc1/C=N\OCc1ccccc1F ZINC000084632979 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Br)cc(Br)cc1/C=N\OCc1ccccc1Cl ZINC000084632982 KK Annotated Mild CC(C)(O)c1nc(C2(c3cccc4c3N(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)Cc3ccc(C(F)(F)F)nc3N4)CCC2)no1 ZINC000084633066 KK Annotated Anodyne NC(=O)C1(c2cccc3c2N(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)Cc2ccc(C(F)(F)F)nc2N3)CCC1 ZINC000084633068 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(Cc3cncc(C(F)(F)F)c3)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084633114 KK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Br)cc1/C=N\OCc1ccccc1F ZINC000084633165 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Br)cc1/C=N/OCc1ccccc1Cl ZINC000084633169 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Br)cc1/C=N\OCc1ccc(Cl)cc1Cl ZINC000084633172 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N\OCc1ccccc1 ZINC000084633174 KK Annotated Mild O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1c(Cl)cc(Cl)cc1/C=N\OCc1ccccc1F ZINC000084633180 KK Annotated Mild COC(=O)c1cc(OC)c2c(c1-c1c(/C=C/C(=O)c3cc(C)ccc3C)cc(OC)c3c1OCO3)OCO2 ZINC000084633199 KK Annotated Mild COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCCC1)CC/C(C)=C/CC2 ZINC000084633269 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C\C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000084633273 KK Annotated Anodyne COc1cc2cc(c1)NC(=O)CCCCCC/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C1CCCCC1)CC/C(C)=C\CC2 ZINC000084633275 KK Annotated Anodyne CCCCCS(=O)(=O)/N=C(\O)[C@@H]1C[C@@H]1c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000084633404 KK Annotated Mild CCCCCS(=O)(=O)/N=C(\O)[C@H]1C[C@H]1c1ccc(OCCOC)cc1Oc1ncc(C(F)(F)F)cc1Cl ZINC000084633406 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C)n[nH]2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084633515 KK Annotated Mild COc1cc([C@H]2/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084633609 KK Annotated Mild COc1cc([C@@H]2/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084633611 KK Annotated Mild COc1cc(/C=C2\C(=O)c3cc(OC)c(OC)c(OC)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000084633728 KK Annotated Mild COc1cc(/C=C2\C(=O)c3cc(OC)c(OC)c(OC)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000084633730 KK Annotated Mild COc1cc([C@H]2/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084633733 KK Annotated Mild COc1cc([C@@H]2/C(=C/c3ccc(OC)c(OC)c3OC)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084633734 KK Annotated Mild O=C(c1ncccc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084633788 KK Annotated Anodyne O=C(c1cnccc1C(F)(F)F)N1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000084633790 KK Annotated Anodyne NS(=O)(=O)c1cc(CNc2nc(NCC(F)(F)F)c3nc(-c4ccc(NC(=O)C5(C(F)(F)F)CC5)cc4)ccc3n2)cc(C(F)(F)F)c1 ZINC000084633808 KK Annotated Mild COc1cc([C@H]2/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084634105 KK Annotated Mild COc1cc([C@@H]2/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)c3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC ZINC000084634107 KK Annotated Mild CCCNc1nc(NCc2ccc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)c2ccccc2n1 ZINC000084634118 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)C(C)C ZINC000084634165 KK Annotated Mild CCCC(=O)N1c2ccc(C(F)(F)F)nc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1CC ZINC000084634167 KK Annotated Mild O=C(/C=C/c1cccc(Cl)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000084634182 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(NC)ccc2N1C(=O)OC(C)C ZINC000084634196 KK Annotated Anodyne O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Br)cc1/C=N\OCc1ccccc1 ZINC000084634230 KK Annotated Mild O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3nnc4ccccc43)c3ccc(Br)cc3)n2)cc1 ZINC000084634400 KK Annotated Mild COc1cc(Br)c(Cc2cc(OC)c(OC)c(Br)c2Br)cc1OC ZINC000084634492 KK Annotated Anodyne COc1cc(Cc2cc(OC)c(OC)c(Br)c2Br)c(Br)c(Br)c1OC ZINC000084634494 KK Annotated Anodyne COc1cc(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c(Br)c1OC ZINC000084634496 KK Annotated Anodyne CCCNc1nc(NCc2ccc(C(=O)N3CCC(C(=O)NCc4ccc(F)cc4)CC3)cc2)c2cc(C)ccc2n1 ZINC000084634540 KK Annotated Anodyne O=C(/C=C/c1cc(Br)cc(Br)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000084634599 KK Annotated Mild O=C(/C=C/c1cc(Cl)cc(Cl)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000084634601 KK Annotated Mild O=C(/C=C/c1cccc(Br)c1Oc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000084634603 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OP(=O)(Oc5ccccc5)Oc5ccccc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084634668 KK Annotated Anodyne C[C@H]1N[C@H](CCCCCCCCCC[C@@H]2C=C(CCCCCCCCCC[C@H]3CC[C@@H](O)[C@@H](C)N3)CN3CCC[C@@H]23)CC[C@@H]1O ZINC000084634724 KK Annotated Anodyne O=C(C[C@@H]1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 ZINC000084634866 KK Annotated Anodyne O=C(C[C@H]1c2ccccc2-c2ccccc2N1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccc(C2=NCCN2)cc1 ZINC000084634868 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@@H]2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1C ZINC000084634870 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)N2c3ccccc3-c3ccccc3[C@H]2CC(=O)NCCc2ccc(C3=NCCN3)cc2)cc1C ZINC000084634873 KK Annotated Anodyne CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000084634913 KK Annotated Anodyne COc1cc(-c2cn(CC(=O)N(Cc3ccc(F)cc3)C3C4CC5CC(C4)CC3C5)nn2)ccc1-n1cnc(C)c1 ZINC000084634933 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(OC)c(C)cc2N1C(=O)OC(C)C ZINC000084634964 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(N)c(C)cc2N1C(=O)OC(C)C ZINC000084634966 KK Annotated Anodyne CCOC(=O)N1c2c(C)cc(C(F)(F)F)nc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1CC ZINC000084634968 KK Annotated Mild Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccccc2)cc1 ZINC000084635073 KK Annotated Reactive Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000084635075 KK Annotated Reactive COc1cc(-c2cn(CC(=O)N(Cc3ccccc3)[C@H](C)c3ccccc3)nn2)ccc1-n1cnc(C)c1 ZINC000084635095 KK Annotated Anodyne COc1cc(-c2cn(CC(=O)N([C@H](C)c3ccccc3)[C@H](C)c3ccccc3)nn2)ccc1-n1cnc(C)c1 ZINC000084635098 KK Annotated Anodyne COc1cc(/C=N/NC(=O)Nc2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)ccc1O ZINC000084635293 KK Annotated Reactive COc1cc(OC)c(OC)cc1/C=C1\C(=O)c2cc(OC)c(OC)c(OC)c2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000084635334 KK Annotated Mild COc1cc(OC)c(OC)cc1/C=C1\C(=O)c2cc(OC)c(OC)c(OC)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000084635336 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(OC)ccc2N1C(=O)OC(C)C ZINC000084635371 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(Cl)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084635374 KK Annotated Anodyne Cc1ccc(C(=O)/C=C/c2cc(Br)cc(Br)c2Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000084635399 KK Annotated Mild Cc1ccc(C(=O)/C=C/c2cc(Cl)cc(Cl)c2Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000084635402 KK Annotated Mild Cc1ccc(C(=O)/C=C/c2cccc(Br)c2Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000084635404 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OC ZINC000084635453 KK Annotated Mild CCOC(=O)N1c2ccc(C(F)(F)F)nc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1CC ZINC000084635455 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCO ZINC000084635458 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCC(C)(C)C(=O)O ZINC000084635459 KK Annotated Mild C=CC(C)(C)[C@@]12C[C@H]3C(=O)N4[C@@H](C[C@@]5(C(C)(C)C=C)c6ccccc6N[C@@H]45)C(=O)N3[C@@H]1Nc1ccccc12 ZINC000084635600 KK Annotated Mild O=[N+]([O-])c1ccc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc1 ZINC000084635607 KK Annotated Mild FC(F)(F)c1cc(/C(Cn2nnc3ccccc32)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C(F)(F)F)c1 ZINC000084635611 KK Annotated Mild CC(C)=CCC/C(C)=C/C[C@@H]1C(C)(C)[C@@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000084635668 KK Annotated Clean O=C(CCCC(=O)c1cccs1)N[C@H](CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1 ZINC000084635765 KK Annotated Anodyne O=C(CCCC(=O)c1cccs1)N[C@@H](CNc1ccc(Oc2ccccc2)cc1)COCc1ccccc1 ZINC000084635767 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084635840 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(Br)ccc2N1C(=O)OC(C)C ZINC000084635842 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(C)ccc2N1C(=O)OC(C)C ZINC000084635844 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)c2nc(N(C)C)ccc2N1C(=O)OC(C)C ZINC000084635847 KK Annotated Anodyne CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1C[C@@H](C)N(C(=O)OC(C)C)c2ccc(C(F)(F)F)nc21 ZINC000084635849 KK Annotated Mild c1ccc2c(C(c3ccc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)s3)c3c[nH]c4ccccc34)c[nH]c2c1 ZINC000084635891 KK Annotated Anodyne CC(C)=CCC/C(C)=C/C[C@H]1C(C)(C)[C@@]2(CC=C(C)C)C(=O)c3c(oc4cc(O)c(O)cc4c3=O)[C@](CC=C(C)C)(C2=O)C1(C)C ZINC000084641236 KK Annotated Clean CCCOC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)C([C@H](C)SCCC(O)(CC)CC)=CC[C@H]23)C[C@H]1O ZINC000084641340 KK Annotated Anodyne CCCOC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)C([C@H](C)SCCC(O)(CC)CC)=CC[C@@H]23)C[C@H]1O ZINC000084641342 KK Annotated Anodyne CCCOC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)C([C@@H](C)SCCC(O)(CC)CC)=CC[C@H]23)C[C@H]1O ZINC000084641346 KK Annotated Anodyne CCCOC1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)C([C@@H](C)SCCC(O)(CC)CC)=CC[C@@H]23)C[C@H]1O ZINC000084641347 KK Annotated Anodyne O=C(CNc1ccc2c(=S)c3ccccc3[nH]c2c1)Nc1ccccc1-c1ccccc1NC(=O)CNc1ccc2c(=S)c3ccccc3[nH]c2c1 ZINC000084651822 KK Annotated Bother Brc1ccc(Oc2cc(Br)cc(Br)c2OCCCCCN2CCOCC2)c(Br)c1 ZINC000084651852 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(C)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084651904 KK Annotated Anodyne Cc1cc2c(cc1O)C1=C(C3=C4C(=CC(=O)c5cc(C)c(O)cc54)C(C)(C)C3=O)C(=O)C(C)(C)C1=CC2=O ZINC000084651905 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5F)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084651950 KK Annotated Anodyne COc1cc(OC)c(Cc2cc(OC)c(OC)c(Br)c2Br)c(OC)c1Br ZINC000084652069 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084652086 KK Annotated Anodyne CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084652087 KK Annotated Anodyne CCCCCC[C@@H](CN1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084652122 KK Annotated Anodyne CSC(=S)O[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084652131 KK Annotated Anodyne O=[P@]1(c2ccccc2)C[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 ZINC000084652132 KK Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652140 KK Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652141 KK Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652142 KK Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOCCOCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084652143 KK Annotated Clean CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCCCCOc3cc(C)cc4c3[C@H](C)CC[C@H]4[C@@H](C)CCC=C(C)C)cc(C)cc21 ZINC000084652161 KK Annotated Anodyne CCCCCCN(CCCCCC)c1ccc(/C=C(\C#N)C(=O)OCCCCCNC(=O)c2cc3ccc(OC)cc3oc2=O)s1 ZINC000084652182 KK Annotated Reactive CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084652225 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5C)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084652226 KK Annotated Anodyne O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2cccc(c2)COc2cccc1c2 ZINC000084652255 KK Annotated Anodyne O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2ccc(cc2)COc2cccc1c2 ZINC000084652256 KK Annotated Anodyne CCCCCCCCCCCSC(=S)C1=C(Nc2ccc(Cl)cc2Cl)CC(C)(C)CC1=O ZINC000084652314 KK Annotated Mild CC(=O)OC[C@H]1O[C@@H](SC(=S)C2=C(Nc3ccc(Cl)cc3Cl)CC(C)(C)CC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000084652317 KK Annotated Mild O=C(O)c1c(-c2cn[nH]n2)sc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000084652366 KK Annotated Anodyne Cn1cc(-c2sc3c(-c4cccc(C(F)(F)F)c4)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)nn1 ZINC000084652367 KK Annotated Anodyne Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652402 KK Annotated Anodyne Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccccc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652403 KK Annotated Anodyne Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@@H]3c2ccc(C)cc2)cc1 ZINC000084652427 KK Annotated Anodyne Cc1ccc(/C=C2\CN([C@H](C)c3ccccc3)CC3=C2OC(N)=C(c2nc(-c4ccc(Cl)cc4)no2)[C@H]3c2ccc(C)cc2)cc1 ZINC000084652428 KK Annotated Anodyne O=C(Nc1ccccc1)N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084652473 KK Annotated Anodyne CSC(=S)O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084652474 KK Annotated Anodyne CCCCCCC[C@@H](O)c1cccc(CN2CCC(COc3ccc(/C(=N\OC)c4ccc(Cl)cc4)c(Cl)c3)CC2)c1 ZINC000084652505 KK Annotated Mild O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)c1cn(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)nn1 ZINC000084652552 KK Annotated Anodyne O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N[C@H](Cc1ccccc1)c1cn(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)nn1 ZINC000084652553 KK Annotated Anodyne Oc1c(Br)cc([C@@H](O)c2nccc3c2[nH]c2ccc(Br)cc23)cc1Br ZINC000084652567 KK Annotated Anodyne Oc1c(Br)cc([C@H](O)c2nccc3c2[nH]c2ccc(Br)cc23)cc1Br ZINC000084652568 KK Annotated Anodyne O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2cc(cc([N+](=O)[O-])c2)COc2cccc1c2 ZINC000084652580 KK Annotated Bother O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2cccc(n2)COc2cccc1c2 ZINC000084652581 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)C(C)C)c1 ZINC000084652634 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cc(F)cc(OC)c3)cc2)C(C)C)c1 ZINC000084652635 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(c4ccccc4)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084652652 KK Annotated Mild O=C(O)c1c(-c2cn(Cc3ccccc3)nn2)sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000084652708 KK Annotated Anodyne CCCCCCCCCCCSC(=S)C1=C(Nc2ccc(Br)cc2)CC(C)(C)CC1=O ZINC000084652865 KK Annotated Mild Cc1c(-c2ccc(CN3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)nc2)[nH]c2ccccc2c1=O ZINC000084652923 KK Annotated Anodyne CC(=O)Oc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)cc1 ZINC000084652936 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)NCc1cn(CC(=O)c2ccc(Br)cc2)nn1 ZINC000084652950 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)OCc1cn(CC(=O)c2ccc(Cl)cc2)nn1 ZINC000084652952 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccc4ccccc4c3)cc2)C(C)C)c1 ZINC000084652996 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(C(C)=O)c3)cc2)C(C)C)c1 ZINC000084652998 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1cc(OC)c(OC)c(OC)c1 ZINC000084653129 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2sc3ccccc3n2c1-c1ccc(Cl)cc1 ZINC000084653131 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2sc3ccccc3n2c1-c1ccc(F)c(F)c1 ZINC000084653132 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2sc3ccccc3n2c1-c1ccc(Cl)c(Cl)c1 ZINC000084653133 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c2sc3ccccc3n2c1-c1ccc(F)c(Cl)c1 ZINC000084653134 KK Annotated Anodyne Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084653156 KK Annotated Anodyne Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084653157 KK Annotated Anodyne Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084653158 KK Annotated Anodyne Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084653159 KK Annotated Anodyne C=CCN[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084653244 KK Annotated Mild O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NCc1ccccc1 ZINC000084653245 KK Annotated Anodyne C=C(c1ccc(Br)cc1)[C@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653321 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653323 KK Annotated Reactive COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)ccc1OC(C)=O ZINC000084653335 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(OC(F)(F)F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084653336 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)NCc1cn(CC(=O)c2ccc(Cl)cc2)nn1 ZINC000084653338 KK Annotated Anodyne O=[P@@]1(c2cccc(F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000084653375 KK Annotated Anodyne O=[P@@]1(c2cccc(F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000084653376 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(OCC(C)C)c3)cc2)C(C)C)c1 ZINC000084653391 KK Annotated Anodyne COc1ccc(OC(=O)c2[nH]c(Br)c(-c3ccc(OC)c(OC)c3)c2Br)cc1 ZINC000084653398 KK Annotated Anodyne Fc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084653495 KK Annotated Anodyne Fc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084653496 KK Annotated Anodyne CC(C)C[P+](Cc1ccc(Cc2ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1)(CC(C)C)CC(C)C ZINC000084653574 KK Annotated Mild C=C(c1ccc(Br)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653689 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653690 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653691 KK Annotated Reactive C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 ZINC000084653692 KK Annotated Reactive O=[P@]1(c2cccc(F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000084653766 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084653785 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(c4ccc(C)cc4)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084653786 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084653787 KK Annotated Mild CC(C)(C)c1cc(CN2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084653798 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(F)c3)cc2)C(C)C)c1 ZINC000084653810 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(Br)c3)cc2)C(C)C)c1 ZINC000084653812 KK Annotated Anodyne O=C1COc2ccc3ccc(cc3c2)OCC(=O)NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CN1 ZINC000084653815 KK Annotated Anodyne O=C1COc2ccccc2-c2ccccc2OCC(=O)NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CN1 ZINC000084653816 KK Annotated Anodyne O=C1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)OCC(=O)NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CN1 ZINC000084653817 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(c4cccc(OC)c4)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084653852 KK Annotated Mild N/C(=N\S(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)s2)c(Cl)cc1SCc1ccc2c(c1)OCO2)NO ZINC000084653872 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)OCO5)N(C)CC4 ZINC000084653887 KK Annotated Anodyne O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1 ZINC000084653932 KK Annotated Bother CC(C)(C)c1cc(C(=O)N2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1 ZINC000084654084 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(OC(C)C)c3)cc2)C(C)C)c1 ZINC000084654259 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(-c4nnc(C)o4)c3)cc2)C(C)C)c1 ZINC000084654267 KK Annotated Anodyne COc1cc(CSc2cc(Cl)c(-c3nc(-c4ccc(Cl)cc4)no3)cc2S(=O)(=O)/N=C(\N)NO)cc(OC)c1OC ZINC000084654273 KK Annotated Mild N/C(=N\S(=O)(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)s2)c(Cl)cc1SCc1ccccc1)NO ZINC000084654274 KK Annotated Mild COc1ccc2c(c1)/C(=N\OC(C)=O)c1c-2c(Nc2ccc(/C(C)=N/OC(C)=O)cc2)nc2ccccc12 ZINC000084654361 KK Annotated Mild C(=C/C1=[N+](CCCc2ccccc2)c2cccc3cccc1c23)\C=c1/c2cccc3cccc(c32)n1CCCc1ccccc1 ZINC000084654378 KK Annotated Clean COc1ccc([C@H]2C(C#N)=C(/N=C/c3cccc(Br)c3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084654513 KK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3cccc(Br)c3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084654514 KK Annotated Reactive COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(F)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084654515 KK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(F)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084654516 KK Annotated Reactive O=C(O)c1ccc(S(=O)(=O)n2cc(-c3ccc(-c4ccccc4COc4cc(C(F)(F)F)ccc4Cl)cc3)nn2)cc1 ZINC000084654552 KK Annotated Anodyne COc1c(Br)cc(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC ZINC000084654553 KK Annotated Anodyne COc1ccc(C[n+]2cccc(CCCCCCCCCCCCCI)c2)cc1 ZINC000084654767 KK Annotated Reactive C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000084654865 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)N3CCN(c4ccc(F)cc4)CC3)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(C)=O ZINC000084655165 KK Annotated Mild CN1CCOCCN(C)S(=O)(=O)/N=C(\O)c2ccc3c(C4CCCCC4)c4n(c3c2)CC(=Cc2cc(Cl)ccc2-4)C1=O ZINC000084655333 KK Annotated Anodyne CN1CCCCN(C)S(=O)(=O)/N=C(\O)c2ccc3c(C4CCCCC4)c4n(c3c2)CC(=Cc2ccc(Cl)cc2-4)C1=O ZINC000084655336 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N/S(=O)(=O)N(C)CCCCNC1=O ZINC000084655382 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N/S(=O)(=O)NCCCCN(C)C1=O ZINC000084655384 KK Annotated Anodyne O=C(NCc1ccc(F)cc1)c1c(C(F)(F)F)nn(-c2ccc(F)cc2)c(=O)c1NCc1ccc(F)cc1 ZINC000084655435 KK Annotated Anodyne CNc1cccc(CCOc2c(C)cc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2C)n1 ZINC000084655500 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CN1CCN(c2ccc(C)cc2)CC1 ZINC000084668366 KK Annotated Mild O=C(O[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1)C(F)(F)F ZINC000084668413 KK Annotated Anodyne C=C(C)[C@H]1C=C[C@@H](OC(=O)c2ccccc2)[C@@]23CO[C@@](C)([C@H](OC(=O)c4cccnc4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(=O)CC)[C@@H]4[C@H]2OC(C)=O)[C@H]13 ZINC000084668415 KK Annotated Mild N/C(=N\S(=O)(=O)c1cc(-c2nc(-c3ccccc3)cs2)c(Cl)cc1SCc1ccc2c(c1)OCO2)NO ZINC000084668467 KK Annotated Mild N/C(=N\S(=O)(=O)c1cc(-c2nc(-c3ccc(Cl)cc3)cs2)c(Cl)cc1SCc1ccc2c(c1)OCO2)NO ZINC000084668468 KK Annotated Mild CC(C)(C)c1cc(C(=O)N2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084668472 KK Annotated Anodyne COc1c(C(C)(C)C)cc(CN2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C(C)(C)C ZINC000084668475 KK Annotated Anodyne Fc1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc1 ZINC000084668550 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084668590 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084668591 KK Annotated Anodyne COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(/C(C)=N/CCCCCCS(=O)(=O)O)=C(C)C2 ZINC000084668757 KK Annotated Mild CCCCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084668783 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084668784 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084668785 KK Annotated Anodyne CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(OCCCCCCOc3cc(C)cc4c3[C@H](C)CC[C@H]4[C@@H](C)CCC=C(C)C)cc(C)cc21 ZINC000084668850 KK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cn([C@H](CO)Cc4ccccc4)nn3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21 ZINC000084668929 KK Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C(=O)N(C)c1ccc(N3CCCCC3=O)cc1)C2 ZINC000084668945 KK Annotated Anodyne CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC=O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C ZINC000084668976 KK Annotated Anodyne c1cc2c[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCCc1ccc[n+](c1)CCCCCCCCCCCCC2 ZINC000084669072 KK Annotated Anodyne COc1ccc2c(c1)/C(=N\OC(C)=O)c1c-2c(Nc2cccc(/C(C)=N/OC(C)=O)c2)nc2ccccc12 ZINC000084669093 KK Annotated Mild COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccncc2)cc1)C(C)(C)C ZINC000084669157 KK Annotated Reactive COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccccn2)cc1)C(C)(C)C ZINC000084669158 KK Annotated Reactive CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7cnn(-c8ccccc8)c7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084669353 KK Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Br)C[C@@H]1[S@]2=O ZINC000084669412 KK Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccccc3Br)C[C@@H]1[S@@]2=O ZINC000084669413 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CN1CCN(c2ccc(F)cc2)CC1 ZINC000084669435 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CC#N)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084669491 KK Annotated Mild COC(=O)CC/C=C/[C@@H](O)C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](O)[C@@H](C)COCc1ccc(OC)cc1 ZINC000084669554 KK Annotated Anodyne COC(=O)CC/C(C)=C/[C@@H](O)C/C=C/C=C/C=C/C=C/C=C/C(C)=C/[C@@H](O)[C@@H](C)COCc1ccc(OC)cc1 ZINC000084669555 KK Annotated Anodyne COc1cc(CSc2cc(Cl)c(-c3nnc(-c4ccc(Cl)cc4)s3)cc2S(=O)(=O)/N=C(\N)NO)cc(OC)c1OC ZINC000084669565 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084669612 KK Annotated Anodyne CCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084669613 KK Annotated Anodyne NC1=Nc2ccc(Oc3ccccc3)cc2CN1[C@@H](CCC(=O)N(Cc1cn[nH]c1)C1CCCCC1)C1CCCCC1 ZINC000084669685 KK Annotated Anodyne COc1ccc([C@@]2(CC(=O)c3ccc(C)cc3)Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)S2)c(OC)c1 ZINC000084669748 KK Annotated Anodyne COc1ccc([C@]2(CC(=O)c3ccc(C)cc3)Nn3c(nnc3-c3cc(OC)c(OC)c(OC)c3)S2)c(OC)c1 ZINC000084669749 KK Annotated Anodyne O=[P@@]1(c2cccc(C(F)(F)F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000084669808 KK Annotated Anodyne O=[P@@]1(c2cccc(C(F)(F)F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000084669809 KK Annotated Anodyne O=[P@]1(c2cccc(C(F)(F)F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O ZINC000084669810 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5[N+](=O)[O-])CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084669838 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084669839 KK Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Br)C[C@@H]2[S@]3=O)ccc1O ZINC000084669892 KK Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4ccccc4Br)C[C@@H]2[S@@]3=O)ccc1O ZINC000084669893 KK Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4cccc5ccccc45)C[C@@H]2[S@]3=O)ccc1O ZINC000084669894 KK Annotated Anodyne Cc1cc(C2=C(c3ccc(O)c(C)c3)[C@H]3[C@@H](S(=O)(=O)Oc4cccc5ccccc45)C[C@@H]2[S@@]3=O)ccc1O ZINC000084669895 KK Annotated Anodyne O=[P@]1(c2cccc(F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000084669906 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084669933 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1cccc(c1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3 ZINC000084670007 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084670032 KK Annotated Anodyne CC1(C)Cc2c(ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c2OCc2ccccc2)O1 ZINC000084670034 KK Annotated Mild C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1 ZINC000084670039 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1 ZINC000084670040 KK Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(-c5ccn[nH]5)cc4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084670081 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](SC(=S)C2=C(Nc3ccc(Cl)cc3Cl)CC(C)(C)CC2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000084670165 KK Annotated Mild Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1 ZINC000084670175 KK Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(Br)cc3)C[C@@H]1[S@]2=O ZINC000084670186 KK Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3ccc(Br)cc3)C[C@@H]1[S@@]2=O ZINC000084670187 KK Annotated Anodyne O=[P@]1(c2cccc(C(F)(F)F)c2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O ZINC000084670194 KK Annotated Anodyne CC(C)(C)C(=O)[C@@H](C#N)Oc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br ZINC000084670205 KK Annotated Mild CC(C)(C)C(=O)[C@H](C#N)Oc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br ZINC000084670206 KK Annotated Mild CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCCCC3)c(=S)n2/N=C/c2c(O)on[n+]2-c2ccccc2)cc1 ZINC000084670392 KK Annotated Mild CC(C)Cc1ccc([C@H](C)c2nn(CN3CCCCC3)c(=S)n2/N=C/c2c(O)on[n+]2-c2ccccc2)cc1 ZINC000084670393 KK Annotated Mild C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084670394 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084670395 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000084670396 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000084670397 KK Annotated Anodyne COCc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1 ZINC000084670404 KK Annotated Anodyne FC(F)(F)c1cc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Cl)cc3)n2)cc(C(F)(F)F)c1 ZINC000084670409 KK Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc(COc4cccc5ccccc45)c3)cc(=O)n21 ZINC000084670467 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084670477 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OC(=O)OCC(Cl)(Cl)Cl)c(OC)cc3ccnc(c13)CC2 ZINC000084670519 KK Annotated Anodyne CCCCCC[C@H](CN1CCC(COc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084670535 KK Annotated Anodyne CCCCCC[C@H](CN1CCC(COc2cccc(/C(=N\OC)c3ccc(Cl)cc3)c2)CC1)OC(N)=O ZINC000084670536 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(Cl)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084670537 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(Cl)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084670538 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(Br)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084670555 KK Annotated Anodyne COc1ccccc1-n1nc(C2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000084670570 KK Annotated Anodyne CCN(CC)CCC(=O)Nc1cc(-n2cccn2)c2[nH]c3c(-n4cccn4)cc(NC(=O)CCN(CC)CC)cc3c2c1 ZINC000084670586 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc([C@H](O)c3nccc4c3[nH]c3ccc(Br)cc34)cc2Br)cc1 ZINC000084670618 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2ccc([C@@H](O)c3nccc4c3[nH]c3ccc(Br)cc34)cc2Br)cc1 ZINC000084670619 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn[nH]2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084670678 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084670679 KK Annotated Mild C/C1=C(\CCOC(=O)[C@@H](N)C(C)C)SS/C(CCOC(=O)[C@@H](N)C(C)C)=C(/C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000084670727 KK Annotated Reactive O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(COc3cccc(Oc4ccccc4)c3)cc(=O)n21 ZINC000084670819 KK Annotated Anodyne Cc1ccc(-[n+]2noc(O)c2/C=N/n2c([C@@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCCCC3)c2=S)cc1 ZINC000084670836 KK Annotated Mild Cc1ccc(-[n+]2noc(O)c2/C=N/n2c([C@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCCCC3)c2=S)cc1 ZINC000084670837 KK Annotated Mild CN1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084670863 KK Annotated Clean CN1C[C@@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)C12C(=O)c1ccccc1C2=O ZINC000084670865 KK Annotated Clean COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc3c(c2OCc2ccccc2)CC(C)(C)O3)cc1 ZINC000084670874 KK Annotated Mild CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084670896 KK Annotated Anodyne CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084670898 KK Annotated Anodyne O=[N+]([O-])c1ccc(/C(Cn2cncn2)=N\Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc1 ZINC000084670916 KK Annotated Mild [N-]=[N+]=N[C@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084670948 KK Annotated Clean CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(Br)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084670988 KK Annotated Anodyne [N-]=[N+]=N[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[P@@]1(=O)c1ccccc1 ZINC000084671038 KK Annotated Clean CCC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084671064 KK Annotated Mild CC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1C1CC1 ZINC000084671066 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(Cl)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084671184 KK Annotated Anodyne COc1c2c3c4c(c(OC)c(=O)c5c(O)cc(OC)c(c6c(OC)cc(O)c(c1=O)c63)c54)C(/C(C)=N/CCCCCS(=O)(=O)O)=C(C)C2 ZINC000084671272 KK Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(Cc3c4ccccc4cc4ccccc34)cc(=O)n21 ZINC000084671396 KK Annotated Bother Cn1cc(-c2c(COc3cccc(Oc4ccccc4)c3)cc(=O)n3c2SC[C@H]3C(=O)O)c2ccccc21 ZINC000084671397 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2/N=C/c2c(O)on[n+]2-c2ccccc2)cc1 ZINC000084671418 KK Annotated Mild CC(C)Cc1ccc([C@H](C)c2nn(CN3CCN(c4ccccc4)CC3)c(=S)n2/N=C/c2c(O)on[n+]2-c2ccccc2)cc1 ZINC000084671419 KK Annotated Mild COc1cc2[nH]c3ccc(O)c(-c4c(O)c(C)cc5c4[nH]c4ccc6c(c45)C=CC(C)(C)O6)c3c2cc1C ZINC000084671450 KK Annotated Anodyne FC(F)(F)c1cc(-c2csc(N/N=C(/Cn3cncn3)c3ccc(Br)cc3)n2)cc(C(F)(F)F)c1 ZINC000084671471 KK Annotated Mild CC(C)(C)c1ccc(Cn2c(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)nc3ccccc32)cc1 ZINC000084671739 KK Annotated Mild N=C(N)SCc1c(Br)ccc2c1sc1c(CSC(=N)N)c(Br)ccc12 ZINC000084671752 KK Annotated Anodyne CN(C(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cn1)[C@H]1CCN(C(=O)N(C)[C@@H]2CCN(C3CCC(C)(C)CC3)C2)C1 ZINC000084672063 KK Annotated Anodyne Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc(OCc3cn(Cc4ccc(Br)cc4)nn3)cc2O)n1 ZINC000084672362 KK Annotated Anodyne CC(C)c1ccc(-c2cc(-c3ccc(OCc4cn(Cc5ccc(Br)cc5)nn4)cc3O)nc(N)n2)cc1 ZINC000084672363 KK Annotated Anodyne c1cc(-c2cnc(-c3cccc(CN4CCCCC4)c3)o2)cc(-c2cnc(-c3cccc(CN4CCCCC4)c3)o2)c1 ZINC000084672428 KK Annotated Anodyne COC1=CC2=C3[C@H](Cc4cc5c(c(c4)Oc4ccc(cc4)C[C@H]4c6cc7c(cc6CCN4C)OC[C@@]3(O7)C1=O)OCO5)N(C)CC2 ZINC000084672597 KK Annotated Mild O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cc(Cl)cc(Cl)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084687257 KK Annotated Anodyne COc1cc(Nc2ccccc2)ccc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1 ZINC000084687336 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687355 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687356 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687357 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687358 KK Annotated Anodyne CCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084687385 KK Annotated Mild CC(C)N(Cc1ccc(-c2ncc(-c3cccc(-c4cnc(-c5ccc(CN(C(C)C)C(C)C)cc5)o4)c3)o2)cc1)C(C)C ZINC000084687442 KK Annotated Anodyne CCC(C)(C)C1C[C@@H]2C(=O)[C@H](C1)[C@@H](c1cc(OC)c(OC)c(OC)c1)N[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000084687463 KK Annotated Anodyne Clc1ccccc1Cn1cc(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)c2ccccc21 ZINC000084687626 KK Annotated Mild Clc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1 ZINC000084687628 KK Annotated Mild COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687662 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687663 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687664 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687665 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687666 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687667 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687668 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687669 KK Annotated Anodyne O=c1c(OC2CCCC2)c(N2CCN(S(=O)(=O)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)cnn1-c1cccc(Cl)c1 ZINC000084687749 KK Annotated Anodyne CC(C)c1ccc(/C=C/C(=O)c2ccc(OCc3cn(Cc4ccc(Br)cc4)nn3)cc2O)cc1 ZINC000084687765 KK Annotated Mild CCN(CC)CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(N)=O)cc4)cc3)SC2=S)cc1 ZINC000084687813 KK Annotated Clean C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)NCc3ccccc3)CC(C)=C[C@H]2C1 ZINC000084687858 KK Annotated Mild CCCCCCCCCCC(=O)N(CC(=O)O)C[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000084687954 KK Annotated Mild CCCCCCCCCCC(=O)N(CC(=O)O)C[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1 ZINC000084687955 KK Annotated Mild N=C(N)c1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1 ZINC000084688015 KK Annotated Anodyne COCOC[C@@]12C=C[C@@H](C(C)(C)C(=O)OCc3ccccc3)C[C@@H]1C=C(C)C[C@@H]2OCc1ccccc1 ZINC000084688189 KK Annotated Anodyne NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@@H](c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1 ZINC000084688222 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@H](c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1 ZINC000084688223 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)O1 ZINC000084688224 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccc(Br)cc23)[C@H](c2ccc(Cl)cc2Cl)c2c(ccc3ccccc23)O1 ZINC000084688225 KK Annotated Mild COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688294 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688295 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688296 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688297 KK 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(=O)[C@H]4NC(=S)Nc1cccc2ccccc12 ZINC000084688395 KK Annotated Anodyne O=C(/C=C/c1ccc(Br)cc1)c1ccc(OCc2cn(Cc3ccc(Br)cc3)nn2)cc1O ZINC000084688398 KK Annotated Mild CCc1c(CCN(C)CC(=O)O)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000084688433 KK Annotated Anodyne Nc1nc(-c2ccc(OCc3cn(Cc4ccccc4)nn3)cc2O)cc(-c2c(F)cccc2Cl)n1 ZINC000084688448 KK Annotated Anodyne O=C(/C=C/c1c(F)cccc1Cl)c1ccc(OCc2cn(Cc3ccc(Br)cc3)nn2)cc1O ZINC000084688715 KK 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](O)[C@H]4NC(=S)Nc1cccc2ccccc12 ZINC000084688717 KK 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](O)[C@H]4NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084688718 KK Annotated Anodyne COCOC[C@@]12C=C[C@@H](C(C)(C)C(=O)NCc3ccc(Br)cc3)C[C@@H]1C=C(C)C[C@@H]2OC(=O)NC1CCCCC1 ZINC000084688742 KK Annotated Anodyne COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000084688800 KK Annotated Anodyne CCc1c(CCN2CCC(C(=O)O)CC2)cccc1-c1nsc(-c2ccc(CC(C)C)c(C#N)c2)n1 ZINC000084688805 KK Annotated Mild C=C(C)CC[C@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@@]3(C[C@@H](C(C)(C)O)OC3=C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C ZINC000084689610 KK Annotated Mild C=C(C)CC[C@@H](C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@@]3(C[C@@H](C(C)(C)O)OC3=C(C(=O)c3ccc(O)c(O)c3)C1=O)C2=O)C(=C)C ZINC000084689611 KK Annotated Mild COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=S)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689649 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=S)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689650 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=S)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689653 KK Annotated Anodyne COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2NC(=S)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689654 KK Annotated Anodyne O=C(O[C@@H]1C=C[C@@]23c4cc5c(cc4CN(C[C@H]2OC(=O)c2ccc(Br)cc2)[C@H]3C1)OCO5)c1ccc(Br)cc1 ZINC000084689662 KK Annotated Anodyne CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(N)=O)c4)o3)SC2=S)cc1 ZINC000084689899 KK Annotated Clean C=C(C)CNC(=O)C(C)(C)[C@@H]1C=C[C@@]2(COCOC)[C@@H](OC(=O)NC3CCCCC3)CC(C)=C[C@H]2C1 ZINC000084689999 KK Annotated Mild COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690026 KK Annotated Anodyne COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690027 KK Annotated Anodyne COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690028 KK Annotated Anodyne COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2NC(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690029 KK Annotated Anodyne C=C(C)CC[C@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O)C(=C)C ZINC000084690340 KK Annotated Mild C=C(C)CC[C@@H](C[C@@]12C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C1=O)c1oc3cc(O)c(O)cc3c(=O)c1C2=O)C(=C)C ZINC000084690341 KK Annotated Mild C=C(C)CC[C@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)c3c1oc1cc(O)c(O)cc1c3=O)C2=O)C(=C)C ZINC000084690342 KK Annotated Mild C=C(C)CC[C@@H](C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)c3c1oc1cc(O)c(O)cc1c3=O)C2=O)C(=C)C ZINC000084690343 KK 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(=O)[C@H]4NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000084690423 KK Annotated Anodyne CC(C)c1ccc([C@@H]2CC(=O)c3ccc(OCc4cn(Cc5ccc(Br)cc5)nn4)cc3O2)cc1 ZINC000084690424 KK Annotated Anodyne CC(C)c1ccc([C@H]2CC(=O)c3ccc(OCc4cn(Cc5ccc(Br)cc5)nn4)cc3O2)cc1 ZINC000084690425 KK Annotated Anodyne CCCCCCCCCCCCCCC/C(O)=N/S(=O)(=O)OC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000084690635 KK Annotated Mild CC1(C)CC[C@]2(CC[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)C[C@@H](O)[C@H](OC(=O)/C=C/c4ccc(O)cc4)[C@@]3(C)CO)[C@H]2O)C1 ZINC000084690646 KK Annotated Anodyne CC1(C)CC[C@]2(CC[C@@H]3C(=CC[C@H]4[C@@]3(C)CC[C@@H]3[C@]4(C)C[C@@H](O)[C@H](OC(=O)/C=C\c4ccc(O)cc4)[C@@]3(C)CO)[C@H]2O)C1 ZINC000084690647 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2[C@H](O)C[C@]3(C)[C@H]4CC=C5[C@@H](O)[C@]6(CC[C@H]5[C@]4(C)CC[C@H]3[C@]2(C)CO)CCC(C)(C)C6)ccc1O ZINC000084690648 KK Annotated Anodyne CCC[P+](Cc1ccc(Cc2ccc(C[P+](CCC)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1 ZINC000084690657 KK Annotated Reactive CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(N)=O)cc4)o3)SC2=S)cc1 ZINC000084690783 KK Annotated Clean COc1cc(/C=C\C(=O)O[C@H]2[C@H](O)C[C@]3(C)[C@H]4CC=C5[C@@H](O)[C@]6(CC[C@H]5[C@]4(C)CC[C@H]3[C@]2(C)CO)CCC(C)(C)C6)ccc1O ZINC000084690902 KK Annotated Anodyne CCOc1ccc(N2C(=O)C(c3ccc(C)cc3)(c3ccc(C)cc3)[C@H]2c2cn(C)c3ccccc23)cc1 ZINC000084690968 KK Annotated Anodyne CCOc1ccc(N2C(=O)C(c3ccc(C)cc3)(c3ccc(C)cc3)[C@@H]2c2cn(C)c3ccccc23)cc1 ZINC000084690969 KK Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3cc(COC(C)(C)C(=O)O)nn3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084703787 KK Annotated Anodyne CCC(CC)(OCc1cn(CC[C@H]2O[C@H](c3cccc(OC)c3OC)c3cc(Cl)ccc3-n3cccc32)nn1)C(=O)O ZINC000084703793 KK Annotated Anodyne CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4ccccc4F)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084703916 KK Annotated Mild CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4cccc(F)c4)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084703919 KK Annotated Mild Cc1ccc([P+](Cc2ccc(Cc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000084703934 KK Annotated Reactive CCCC(=O)OCc1c(Br)c(OC)c2c(c1-c1c(COC(=O)CCC)c(Br)c(OC)c3c1OCO3)OCO2 ZINC000084703938 KK Annotated Anodyne COCOC[C@@]12C=C[C@@H](C(C)(C)C(=O)NCc3ccccc3)C[C@@H]1C=C(C)C[C@@H]2OC(=O)NC1CCCCC1 ZINC000084704021 KK Annotated Anodyne CCN(CC)CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccccc4C(N)=O)cc3)SC2=S)cc1 ZINC000084705105 KK Annotated Clean CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc(C(N)=O)cc4)cc3)SC2=S)cc1 ZINC000084705148 KK Annotated Clean CCC[P+](Cc1ccc(Oc2ccc(C[P+](CCC)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1 ZINC000084705294 KK Annotated Reactive Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3cc(C(F)(F)F)ncn3)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 ZINC000084705298 KK Annotated Anodyne Cc1noc(/C=C/c2ccccc2)c1N1CN=C2Oc3c(Br)cc(Br)cc3C=C2C1=O ZINC000084705322 KK Annotated Anodyne Cn1cc(-c2c(COc3cccc4ccccc34)cc(=O)n3c2SC[C@H]3/C(O)=N/S(C)(=O)=O)c2ccccc21 ZINC000084705332 KK Annotated Mild Cn1cc(-c2c(Cc3cccc(COc4cccc5ccccc45)c3)cc(=O)n3c2SC[C@H]3C(=O)O)c2ccccc21 ZINC000084705342 KK Annotated Anodyne O=C(O)c1c(-c2cn(Cc3ccccc3)nn2)sc2c(-c3cccc(C(F)(F)F)c3)c(Cc3cccc4ccccc34)cc(=O)n12 ZINC000084705804 KK Annotated Anodyne COC(=O)CCSC/C=C(\C)CCn1cc(CCc2ccc(-c3ccc(-c4ccccc4)cc3)cc2)nn1 ZINC000084705911 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084706059 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084706064 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084706066 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084706069 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084706072 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084706073 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(OC)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084706076 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(OC)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084706078 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084706582 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084706584 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl ZINC000084706586 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl ZINC000084706589 KK Annotated Reactive Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084706592 KK Annotated Reactive Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084706594 KK Annotated Reactive COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084706598 KK Annotated Reactive COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084706600 KK Annotated Reactive CS(=O)(=O)c1ccc(Cc2nnc3n2N=C(c2cc(Cl)cc4c2-c2ccc(Cl)cc2C4)CS3)cc1 ZINC000084706850 KK Annotated Anodyne COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(Cl)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084707102 KK Annotated Reactive COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(Cl)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084707104 KK Annotated Reactive FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1cc(COc2ccccc2-c2nc3ccccc3s2)nn1 ZINC000084707437 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084707734 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084707737 KK Annotated Reactive CC(C)(C)OC(=O)N1CCc2c(sc3c(I)c(-c4ccccc4)oc(=O)c23)C1 ZINC000084708032 KK Annotated Anodyne Cc1nn(-c2ccccc2Br)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084708217 KK Annotated Anodyne Cc1nn(-c2ccccc2Br)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084708222 KK Annotated Anodyne Cc1nn(-c2ccccc2Br)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084708224 KK Annotated Anodyne Cc1nn(-c2ccccc2Br)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084708228 KK Annotated Anodyne Cc1nn(-c2ccccc2I)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084708236 KK Annotated Anodyne Cc1nn(-c2ccccc2I)c2c1[C@@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084708239 KK Annotated Anodyne Cc1nn(-c2ccccc2I)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@@H](C)C(=O)N2 ZINC000084708241 KK Annotated Anodyne Cc1nn(-c2ccccc2I)c2c1[C@H](c1ccc(Oc3ccccc3)cc1)S[C@H](C)C(=O)N2 ZINC000084708244 KK Annotated Anodyne COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3sc4ccccc4n23)cc1 ZINC000084708250 KK Annotated Anodyne CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCCCC2=O)cc1 ZINC000084708315 KK Annotated Anodyne Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc([S@@](=O)C(F)(F)F)ccc1Cl ZINC000084708553 KK Annotated Mild Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc([S@](=O)C(F)(F)F)ccc1Cl ZINC000084708557 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)CC(C)(C)CCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000084709028 KK Annotated Mild Clc1ccc(-c2ccc(C3=NO[C@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084709050 KK Annotated Anodyne Clc1ccc(-c2ccc(C3=NO[C@@H](c4ccccc4-c4cncnc4)N3c3ccc(N4CCNCC4)cc3)o2)cc1 ZINC000084709052 KK Annotated Anodyne COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3sc4ccccc4n23)cc1OC ZINC000084709272 KK Annotated Anodyne COc1cc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3sc4ccccc4n23)cc(OC)c1OC ZINC000084709274 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084709469 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084709471 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084709473 KK Annotated Mild CCCCCCCCCCCCCCCCCCNC(=O)[C@H]1CS[C@@H]([C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)N1C(C)=O ZINC000084709475 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084709960 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl ZINC000084709961 KK Annotated Reactive CCCCCCC#Cc1ccc(-n2c(-c3ccccc3)cc(C(=O)OCC)c2C(=O)c2ccccc2)cc1 ZINC000084710076 KK Annotated Mild Cc1cc2c([nH]c3ccc4c(c32)C=CC(C)(C)O4)c(-c2c(O)c(C)cc3c2[nH]c2ccc4c(c23)C=CC(C)(C)O4)c1O ZINC000084710382 KK Annotated Anodyne COc1cc2[nH]c3c(CC=C(C)C)c(O)c(C=O)cc3c2c(-c2cc3c(cc2O)[nH]c2ccccc23)c1O ZINC000084710384 KK Annotated Anodyne O=C(O)c1ccc(Cn2cc(-c3ccc(-c4ccccc4COc4cc(C(F)(F)F)ccc4Cl)cc3)nn2)c([N+](=O)[O-])c1 ZINC000084710793 KK Annotated Bother Nc1cc(C(=O)O)ccc1Cn1cc(-c2ccc(-c3ccccc3COc3cc(C(F)(F)F)ccc3Cl)cc2)nn1 ZINC000084710800 KK Annotated Anodyne N#Cc1c(-c2ccc(O)cc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)n(Cc2ccccc2)c1=O ZINC000084710862 KK Annotated Mild Cc1nc(CN(C(=O)OC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1 ZINC000084711094 KK Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711202 KK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711204 KK Annotated Reactive COc1ccc([C@H]2C(C#N)=C(/N=C/C=C/c3ccccc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711214 KK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/C=C/c3ccccc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084711216 KK Annotated Reactive O=S(=O)(Nc1cccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)c1)c1ccc(Br)cc1OC(F)(F)F ZINC000084711500 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N/S(=O)(=O)N(C)CCCCCNC1=O ZINC000084711661 KK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084711868 KK Annotated Reactive COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084711871 KK Annotated Reactive Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(/C(O)=N/S(=O)(=O)C1CC1)n2Cc1cc(S(=O)(=O)C(F)(F)F)ccc1Cl ZINC000084712105 KK Annotated Mild COC(=O)C[C@H]1[C@]2(C)CC[C@@]3(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]3(C)[C@H]2CC[C@]1(C)[C@@H](C)C(=O)OC ZINC000084712113 KK Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4Cl)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084712350 KK Annotated Anodyne COc1cc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)c(Cl)c4)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)ncn1 ZINC000084712352 KK Annotated Anodyne Cc1nc(CCN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1 ZINC000084712449 KK Annotated Anodyne CC(C)c1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1 ZINC000084712451 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N\S(=O)(=O)N(C)CCCN(C)C1=O ZINC000084712461 KK Annotated Anodyne COc1cc(Cc2c(OC)c(Br)c(OC)c(Br)c2OC)c(Br)c(Br)c1OC ZINC000084712512 KK Annotated Anodyne CN1CCCCCNC(=O)COc2ccc(F)cc2-c2c(C3CCCCC3)c3ccc(cc3n2C)/C(O)=N/S1(=O)=O ZINC000084712516 KK Annotated Anodyne CN1CCCCCNC(=O)COc2cc(F)ccc2-c2c(C3CCCCC3)c3ccc(cc3n2C)/C(O)=N/S1(=O)=O ZINC000084712518 KK Annotated Anodyne CC(C)(C)OC(=O)N(C(=O)c1cccc(C2(C#N)CC2)c1Cl)c1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F ZINC000084712599 KK Annotated Mild O=C(O)[C@@H]1CSc2c(-c3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21 ZINC000084712600 KK Annotated Bother Cc1cccc(-c2sc3c(-c4ccc5c(c4)OCO5)c(COc4cccc5ccccc45)c(CN4CCOCC4)c(=O)n3c2C(=O)O)c1 ZINC000084712850 KK Annotated Anodyne O=C(O)[C@@H]1CSc2c(-c3cn(Cc4ccccc4)nn3)c(Cc3cccc4ccccc34)c(Br)c(=O)n21 ZINC000084713322 KK Annotated Anodyne Cc1ccc(Cn2cc(-c3c(Cc4cccc5ccccc45)c(Br)c(=O)n4c3SC[C@H]4C(=O)O)nn2)cc1 ZINC000084713323 KK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084713360 KK Annotated Reactive COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084713362 KK Annotated Reactive COc1ccc(/C=N/n2c(SCc3ccc(F)cc3)nnc2-c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000084713372 KK Annotated Mild COc1ccc(/C=N/n2c(SCc3ccccc3Cl)nnc2-c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000084713374 KK Annotated Mild COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000084713376 KK Annotated Mild COc1cc(-c2nnc3n2N[C@](CC(=O)c2ccc(C)cc2)(c2ccccc2)S3)cc(OC)c1OC ZINC000084713381 KK Annotated Anodyne COc1cc(-c2nnc3n2N[C@@](CC(=O)c2ccc(C)cc2)(c2ccccc2)S3)cc(OC)c1OC ZINC000084713383 KK Annotated Anodyne COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(OCc3ccccc3)c3c2OC(C)(C)C3)cc1 ZINC000084713405 KK Annotated Mild COc1cccc([C@H]2O[C@H](CCC(=O)N3CC(CC(=O)O)C3)c3cccn3-c3ccc(Cl)cc32)c1OC ZINC000084713768 KK Annotated Anodyne Cc1nc(CN(C(=O)CC[C@@H](C2CCCCC2)N2Cc3cc(Oc4ccccc4)ccc3N=C2N)C2CCCCC2)cs1 ZINC000084714086 KK Annotated Anodyne CCOC(=O)C1=C(O)C(C)(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]6OC[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)C1 ZINC000084714250 KK Annotated Anodyne COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccccc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084714535 KK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccccc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084714538 KK Annotated Reactive COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084714543 KK Annotated Reactive COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 ZINC000084714546 KK Annotated Reactive CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC(Br)(Br)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084714667 KK Annotated Anodyne CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(-c2ccc(Br)cc2)cs1)c1ccc(N2CCOCC2=O)cc1 ZINC000084722846 KK Annotated Anodyne CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)Cc7sc(Br)nc7C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 ZINC000084723243 KK Annotated Anodyne Fc1ccc([C@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)c(F)c1 ZINC000084723430 KK Annotated Anodyne Fc1ccc([C@@H]2ON=C(c3ccc(-c4ccc(Cl)cc4)o3)N2c2ccc(N3CCNCC3)cc2)c(F)c1 ZINC000084723433 KK Annotated Anodyne N#Cc1c(-c2ccccc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)n(Cc2ccccc2)c1=O ZINC000084723610 KK Annotated Mild Cn1c(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc(-c2ccc(Cl)cc2)c(C#N)c1=O ZINC000084723616 KK Annotated Mild CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(/C=C/C(=O)OC(C)(C)C)cc2)c1C(=O)c1ccccc1 ZINC000084723713 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccccc2)n(-c2ccc(-c3ccc(OC)cc3)cc2)c1C(=O)c1ccccc1 ZINC000084723719 KK Annotated Anodyne COC(=O)[C@H]1C(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)=Cc2cc(OC)c(OC)cc2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000084724194 KK Annotated Mild COC(=O)[C@H]1C(/C=C/C(=O)c2ccc(O)cc2)=Cc2cc(OC)c(OC)cc2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000084724199 KK Annotated Mild CS(=O)(=O)c1ccc2[nH]c(Cc3ccc(Br)cc3)c(Cc3ccc(Br)cc3)c2c1 ZINC000084724295 KK Annotated Anodyne COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(C)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084724519 KK Annotated Reactive COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(C)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084724523 KK Annotated Reactive Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(Cl)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084724527 KK Annotated Reactive Cc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(Cl)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 ZINC000084724531 KK Annotated Reactive Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084724539 KK Annotated Reactive Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084724541 KK Annotated Reactive C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724573 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724576 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724582 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000084724585 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084724587 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccccc4)no3)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 ZINC000084724590 KK Annotated Anodyne CC(C)C[P+](Cc1ccc(Oc2ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1)(CC(C)C)CC(C)C ZINC000084724627 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl ZINC000084724934 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl ZINC000084724935 KK Annotated Reactive Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084724942 KK Annotated Reactive Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084724946 KK Annotated Reactive O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1CCn1cnc2c(NCc3ccccc3)ncnc21 ZINC000084725034 KK Annotated Anodyne CC(C)(O)CCC[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](OC=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000084725055 KK Annotated Anodyne CCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084725078 KK Annotated Anodyne CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084725083 KK Annotated Anodyne CCC[C@H]1Cc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)C[C@H](CCC)OC6=O)c(O)cc(O)c3c(O)c2C(=O)O1 ZINC000084725171 KK Annotated Anodyne CCC[C@H](C)C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)[C@H](C)CCC)cc(OC)c3c1OCO3)OCO2 ZINC000084725362 KK Annotated Anodyne CCC[C@H](C)C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)[C@@H](C)CCC)cc(OC)c3c1OCO3)OCO2 ZINC000084725365 KK Annotated Anodyne CCC[C@@H](C)C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)[C@H](C)CCC)cc(OC)c3c1OCO3)OCO2 ZINC000084725369 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H](C(=O)N1CCCC1)C(/C=C/C(=O)c1ccc(-c3ccccc3)cc1)=C2 ZINC000084725507 KK Annotated Mild COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H](C(=O)N1CCCC1)C(/C=C/C(=O)c1ccc(C3CCCCC3)cc1)=C2 ZINC000084725574 KK Annotated Mild CC(=O)O[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C(=O)O)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C ZINC000084725765 KK Annotated Anodyne N#CC1(c2cccc(C(=O)N(C(=O)C3CC3)c3cc(Oc4ccc5nc(NC(=O)C6CC6)sc5n4)ccc3F)c2Cl)CC1 ZINC000084725932 KK Annotated Mild CCOC(=O)N(C(=O)c1cccc(C2(C#N)CC2)c1Cl)c1cc(Oc2ccc3nc(NC(=O)C4CC4)sc3n2)ccc1F ZINC000084725935 KK Annotated Mild CC(=O)N(c1ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc1)c1ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc1 ZINC000084725996 KK Annotated Mild CC(C)C[P+](Cc1ccc(S(=O)(=O)c2ccc(C[P+](CC(C)C)(CC(C)C)CC(C)C)cc2)cc1)(CC(C)C)CC(C)C ZINC000084725998 KK Annotated Mild COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084726184 KK Annotated Reactive COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000084726188 KK Annotated Reactive Cc1c(OCC(F)(F)F)ccnc1COc1cccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)c1 ZINC000084726332 KK Annotated Anodyne CC[C@H]1NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C1=O ZINC000084726609 KK Annotated Anodyne in-vitro Cc1ccc(-[n+]2noc(O)c2/C=N/n2c([C@@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCN(c4ccccc4)CC3)c2=S)cc1 ZINC000084726954 KK Annotated Mild Cc1ccc(-[n+]2noc(O)c2/C=N/n2c([C@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCN(c4ccccc4)CC3)c2=S)cc1 ZINC000084726960 KK Annotated Mild COc1ccc(-[n+]2noc(O)c2/C=N/n2c([C@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCCCC3)c2=S)cc1 ZINC000084726976 KK Annotated Mild COc1ccc(-[n+]2noc(O)c2/C=N/n2c([C@@H](C)c3ccc(CC(C)C)cc3)nn(CN3CCCCC3)c2=S)cc1 ZINC000084726980 KK Annotated Mild Cc1nccc(N2C(=O)N(c3ccc(-c4ccc(C(=O)O)cc4C)cc3)C(=O)C23CCN(Cc2ncccc2C)CC3)n1 ZINC000084727327 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(OC)c(OC)c1 ZINC000084727500 KK Annotated Anodyne CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084727633 KK Annotated Anodyne CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084727635 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084727637 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N/S(=O)(=O)N(C)CCCCCCN(C)C1=O ZINC000084727660 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N/S(=O)(=O)N(C)CCCCN(C)C1=O ZINC000084727663 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084727751 KK Annotated Anodyne COc1ccc2c(c1)C=C1Cn3c-2c(C2CCCCC2)c2ccc(cc23)/C(O)=N/S(=O)(=O)N(C(C)C)CCCCN(C)C1=O ZINC000084727890 KK Annotated Anodyne CCCCCCCCCCCCCCCCOCCCO[P@@]1(=O)CO[C@@H](Cn2cnc3c(=O)[nH]cnc32)CO1 ZINC000084728020 KK Annotated Mild CCCCCCCCCCCCCCCCOCCCO[P@]1(=O)CO[C@@H](Cn2cnc3c(=O)[nH]cnc32)CO1 ZINC000084728022 KK Annotated Mild FC(F)(F)c1cc(/C(Cn2cncn2)=N\Nc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)cc(C(F)(F)F)c1 ZINC000084728519 KK Annotated Mild CC1(C)Cc2c(OCc3ccccc3)ccc(C(=O)/C=C/c3cn(-c4ccccc4)nc3-c3ccccc3)c2O1 ZINC000084728638 KK Annotated Mild Cc1cc(C(=O)O)ccc1-c1ccc(N2C(=O)N(c3nccnc3C)C3(CCN(Cc4ncccc4C)CC3)C2=O)cc1 ZINC000084728703 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(Cl)c(Cl)c1 ZINC000084728818 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c2sc3ccccc3n2c1-c1ccc(F)c(Cl)c1 ZINC000084728822 KK Annotated Anodyne Cn1cc(-c2c(COc3cccc4ccccc34)cc(=O)n3c2S[C@H](c2ccccc2)[C@H]3C(=O)O)c2ccccc21 ZINC000084728969 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H](c2ccccc2)Sc2c(-c3ccc4c(c3)OCO4)c(COc3cccc4ccccc34)cc(=O)n21 ZINC000084728974 KK Annotated Anodyne CO[C@H]1Sc2c(-c3cn(C)c4ccccc34)c(COc3cccc4ccccc34)cc(=O)n2[C@@H]1C(=O)O ZINC000084728982 KK Annotated Anodyne COc1ccc2c(c1)OCC(=O)N(C)CCCCN(C)S(=O)(=O)/N=C(\O)c1ccc3c(C4CCCCC4)c-2n(C)c3c1 ZINC000084729081 KK Annotated Anodyne Clc1ccccc1Cn1c(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)nc2ccccc21 ZINC000084729626 KK Annotated Mild Clc1cccc(Cn2c(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)nc3ccccc32)c1Cl ZINC000084729631 KK Annotated Mild CCN(CC)CCCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccccc4C(N)=O)cc3)SC2=S)cc1 ZINC000084729842 KK Annotated Clean Fc1ccc(-c2csc(N/N=C(/Cn3cncn3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000084729944 KK Annotated Mild FC(F)(F)c1cc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Cl)cc3)cs2)cc(C(F)(F)F)c1 ZINC000084729947 KK Annotated Mild FC(F)(F)c1cc(/C(Cn2cncn2)=N\Nc2nc(-c3ccc(Br)cc3)cs2)cc(C(F)(F)F)c1 ZINC000084729951 KK Annotated Mild O=[N+]([O-])c1ccc(-c2csc(N/N=C(/Cn3cncn3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 ZINC000084729954 KK Annotated Mild CC(C)[P+](Cc1ccc(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)C(C)C)cc2)cc1)(c1ccccc1)c1ccccc1 ZINC000084730079 KK Annotated Reactive N[C@H]1N=C(c2ccc(Cl)cc2Cl)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084730577 KK Annotated Clean N[C@@H]1N=C(c2ccc(Cl)cc2Cl)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 ZINC000084730580 KK Annotated Clean CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5c(F)c(F)c(F)c(F)c5F)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084730602 KK Annotated Anodyne CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000084730653 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)CN3CCCCC3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084730695 KK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OC)c(OCCCCNc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000084730703 KK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OC)c(OCCCCNc2nc(-c3ccccc3)c(C)s2)c1 ZINC000084730705 KK Annotated Mild O=C1C(Sc2ccccc2)=C(Sc2ccccc2)C(=O)C(Sc2ccccc2)=C1Sc1ccccc1 ZINC000084731014 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C1)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)[C@@H](CCC(C)(C)OC(C)=O)OC(C)=O)CC[C@@]12O ZINC000084731045 KK Annotated Anodyne O=S(=O)(Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12)c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F ZINC000084731066 KK Annotated Clean CC1=CCC[C@@H](C)[C@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c(C=O)ccc(O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000084731109 KK Annotated Anodyne C/C1=C(\CCOC(=O)[C@@H](N)CCCCN)SS/C(CCOC(=O)[C@@H](N)CCCCN)=C(/C)N(C=O)CCCCCCCCCCCCN1C=O ZINC000084731375 KK Annotated Reactive CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000084731411 KK Annotated Mild CCCCCCCCCCCCCC[N+](C)(C)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084731422 KK Annotated Mild CCCCCCCCCCCCCCC/C(O)=N/S(=O)(=O)Oc1ccc(CCNC(=O)OC(C)(C)C)cc1 ZINC000084731485 KK Annotated Mild COc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2)c(-c2c(COC(=O)c3ccc([N+](=O)[O-])cc3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084731721 KK Annotated Bother COc1cc(COC(=O)c2ccc(C#N)cc2)c(-c2c(COC(=O)c3ccc(C#N)cc3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084731726 KK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OCc2ccccc2)cc1OCCc1csc(-c2ccccc2)n1 ZINC000084731769 KK Annotated Mild COC(=O)c1ccc(NC(=O)CSc2nc3cnccc3n2-c2c(C)cc(C)cc2C)c(Br)c1 ZINC000084731911 KK Annotated Anodyne CCOC(=O)c1ccc(NC(=O)CSc2nc3cnccc3n2-c2c(C)cc(C)cc2C)c(Br)c1 ZINC000084731915 KK Annotated Anodyne CC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2-c2c(C)cc(C)cc2C)c(Br)c1 ZINC000084731953 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)CN(CC)CC)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084732104 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)CN(CCC)CCC)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084732110 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)CN(CCCC)CCCC)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084732114 KK Annotated Mild CC(C)C[C@@H](N)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000084732173 KK Annotated Bother COc1cc(COC(=O)c2ccc(C(F)(F)F)nc2)c(-c2c(COC(=O)c3ccc(C(F)(F)F)nc3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084732270 KK Annotated Anodyne COc1cc(COC(=O)c2ccc3ccccc3n2)c(-c2c(COC(=O)c3ccc4ccccc4n3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084732275 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084732412 KK Annotated Mild C=C(C)[C@@H](O)Cc1c(O)c(C(C)=O)c(O)c([C@@H](CC(C)C)c2c(O)c(CC=C(C)C)c(OC)c(C(C)=O)c2O)c1O ZINC000084732458 KK Annotated Mild C=C(C)[C@@H](O)Cc1c(O)c(C(C)=O)c(O)c([C@H](CC(C)C)c2c(O)c(CC=C(C)C)c(OC)c(C(C)=O)c2O)c1O ZINC000084732460 KK Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(C(C)=O)c(O)c([C@@H](CC(C)C)c2c(O)c(CC=C(C)C)c(OC)c(C(C)=O)c2O)c1O ZINC000084732464 KK Annotated Mild C=C(C)[C@H](O)Cc1c(O)c(C(C)=O)c(O)c([C@H](CC(C)C)c2c(O)c(CC=C(C)C)c(OC)c(C(C)=O)c2O)c1O ZINC000084732468 KK Annotated Mild Clc1cccc(Cn2c(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)nc3ccccc32)c1 ZINC000084732548 KK Annotated Mild Clc1ccc(Cn2c(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)nc3ccccc32)cc1 ZINC000084732551 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)CN3CCCC3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084732638 KK Annotated Mild CSCC[C@@H](N)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000084732711 KK Annotated Bother CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccccc3)c(C)s2)c(OC)c1 ZINC000084732879 KK Annotated Mild Clc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1Cl ZINC000084733226 KK Annotated Mild CC(C)(C)c1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)cc1 ZINC000084733243 KK Annotated Mild C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1 ZINC000084733516 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2cccc3ccccc23)/C(=C/c2cccc3ccccc23)C1 ZINC000084733520 KK Annotated Anodyne Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)C(Sc3ccc(C)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1 ZINC000084738752 KK Annotated Mild CC[C@H](C)C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)[C@H](C)CC)cc(OC)c3c1OCO3)OCO2 ZINC000084738872 KK Annotated Anodyne CC[C@H](C)C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)[C@@H](C)CC)cc(OC)c3c1OCO3)OCO2 ZINC000084738874 KK Annotated Anodyne CC[C@@H](C)C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)[C@H](C)CC)cc(OC)c3c1OCO3)OCO2 ZINC000084738876 KK Annotated Anodyne CCOc1cccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)c1 ZINC000084738992 KK Annotated Anodyne NCCCCN(CCCN)C(=O)CCCCCCCCCCCOCc1ccc2c(c1)[C@@H]1C[C@]3(CCCCO3)N=C3N[C@]4(CCCCO4)C[C@H]2N31 ZINC000084739045 KK Annotated Anodyne COc1cc(COC(=O)CC(C)C)c(-c2c(COC(=O)CC(C)C)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084739205 KK Annotated Anodyne CCCCC(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)CCCC)cc(OC)c3c1OCO3)OCO2 ZINC000084739207 KK Annotated Anodyne C/C=C/C=C/C(=O)OCc1cc(OC)c2c(c1-c1c(COC(=O)/C=C/C=C/C)cc(OC)c3c1OCO3)OCO2 ZINC000084739465 KK Annotated Anodyne COc1cc(COC(=O)C(C)(C)C)c(-c2c(COC(=O)C(C)(C)C)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084739513 KK Annotated Anodyne Clc1ccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c(Cl)c1 ZINC000084739638 KK Annotated Mild Clc1cccc(Cl)c1Cn1cc(/C=N/Nc2nc(N3CCOCC3)c3sccc3n2)c2ccccc21 ZINC000084739640 KK Annotated Mild CCCCCCCC[N+](C)(CCCCCCCC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084739694 KK Annotated Mild CCCCCCCCCC[N+](C)(CCCCCCCCCC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084739696 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2-c2c(C)cc(C)cc2C)c(Br)c1 ZINC000084739816 KK Annotated Anodyne CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084740031 KK Annotated Mild CCCCCCCCCCCC[N+](C)(C)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000084740114 KK Annotated Mild CN(C)c1ccc2cc(S(=O)(=O)Nc3ccc(-c4ccc(-c5cn(Cc6ccc(C(=O)O)cc6[N+](=O)[O-])nn5)cc4)cc3)ccc2c1 ZINC000084740121 KK Annotated Bother CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1C ZINC000084740378 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1C ZINC000084740383 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2cc(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000084740387 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2cc(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000084740390 KK Annotated Anodyne CCCc1c(CC)cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c1C ZINC000084740394 KK Annotated Anodyne CCCc1c(CC)cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c1C ZINC000084740396 KK Annotated Anodyne CN(C)c1ccc(-c2cc(-c3ccc(C(=S)N4CCCCC4)s3)cc(-c3ccc(N(C)C)cc3)[s+]2)cc1 ZINC000084740492 KK Annotated Anodyne CN(C)c1ccc(-c2cc(-c3ccc(C(=O)N4CCCCC4)s3)cc(-c3ccc(N(C)C)cc3)[s+]2)cc1 ZINC000084740495 KK Annotated Anodyne CC(C)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)C3=CC[C@]12C ZINC000084740675 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)c7c([C@H](O)C(=O)O)ccc(O)c7C[C@H]6[C@]5(C)CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000084740678 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)c7c([C@@H](O)C(=O)O)ccc(O)c7C[C@H]6[C@]5(C)CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000084740681 KK Annotated Anodyne CC1=CCC[C@@H](C)[C@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c([C@H](O)C(=O)O)ccc(O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000084740683 KK Annotated Anodyne CC1=CCC[C@@H](C)[C@]1(C)CC[C@]1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@]4(C)c5c([C@@H](O)C(=O)O)ccc(O)c5C[C@H]4[C@]3(C)CC[C@@H]12 ZINC000084740685 KK Annotated Anodyne CC1(C)CCC[C@]2(C)O[C@H]3CC[C@]4(C)[C@H]5CC[C@]6(C)c7c(C=O)ccc(O)c7C[C@H]6[C@]5(C)CC[C@H]4[C@]3(C)CC[C@@H]12 ZINC000084740688 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1CC(C)C ZINC000084740762 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1CC(C)C ZINC000084740765 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(CC(=O)O)c(C)c2I)c(C)c1I ZINC000084740805 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(C)c(C)c(C[C@H](N)C(=O)O)c(C)c2C)c(C)c1I ZINC000084740806 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(C)c(C)c(C[C@@H](N)C(=O)O)c(C)c2C)c(C)c1I ZINC000084740809 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1C(C)C ZINC000084740867 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1C(C)C ZINC000084740870 KK Annotated Anodyne COc1cc(COC(=O)C2CCCC2)c(-c2c(COC(=O)C3CCCC3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084741013 KK Annotated Anodyne COc1cc(COC(=O)C2CCCCC2)c(-c2c(COC(=O)C3CCCCC3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084741016 KK Annotated Anodyne CCc1cc(C)c(Oc2cc(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000084741073 KK Annotated Anodyne CCc1cc(C)c(Oc2cc(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000084741075 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1Br ZINC000084741077 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1Br ZINC000084741079 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1C(C)(C)C ZINC000084741103 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1C(C)(C)C ZINC000084741105 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1[C@@H](C)CC ZINC000084741107 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1[C@H](C)CC ZINC000084741109 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1[C@@H](C)CC ZINC000084741112 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1[C@H](C)CC ZINC000084741114 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000084741120 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1I ZINC000084741122 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1Cl ZINC000084741139 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1Cl ZINC000084741141 KK Annotated Anodyne CC1(C)O[C@H]2C[C@@]3(C)[C@@H](C[C@H]2O1)C(=O)C=C1[C@@H]3CC[C@]2(C)[C@@H]([C@@]3(C)OC(C)(C)O[C@@H]3CC[C@]3(C)COC(C)(C)O3)CC[C@@]12O ZINC000084741283 KK Annotated Anodyne CC1(C)O[C@H]2C[C@@]3(C)[C@@H](C[C@H]2O1)C(=O)C=C1[C@@H]3CC[C@]2(C)[C@@H]([C@@]3(C)OC(C)(C)O[C@@H]3CC[C@@]3(C)COC(C)(C)O3)CC[C@@]12O ZINC000084741285 KK Annotated Anodyne CC[C@H](C[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O ZINC000084741288 KK Annotated Anodyne CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084741323 KK Annotated Mild CCc1cc(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1C(=O)c1ccccc1 ZINC000084741349 KK Annotated Anodyne CCc1cc(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1C(=O)c1ccccc1 ZINC000084741352 KK Annotated Anodyne CCc1c(C)c(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1C ZINC000084741355 KK Annotated Anodyne CCc1c(C)c(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1C ZINC000084741357 KK Annotated Anodyne C=CCc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000084741508 KK Annotated Mild CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084741651 KK Annotated Mild CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4cccc(Cl)c4Cl)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084741653 KK Annotated Mild CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](OC(=O)c4ccc(Br)cc4)N(C[C@H]2OC(=O)c2ccc(Br)cc2)[C@H]3C1)OCO5 ZINC000084741673 KK Annotated Anodyne CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](OC(=O)c4ccc(Br)cc4)N(C[C@H]2OC(=O)c2ccc(Br)cc2)[C@H]3C1)OCO5 ZINC000084741675 KK Annotated Anodyne C[N+](C)(C)[C@@H]1CCC[C@@H]1O[P@@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000084741711 KK Annotated Bother C[N+](C)(C)[C@H]1CCC[C@H]1O[P@@](=O)(O)OCCCCCCCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000084741714 KK Annotated Bother COc1cc(COC(=O)c2ccccc2)c(-c2c(COC(=O)c3ccccc3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084741789 KK Annotated Anodyne COc1cc(COC(=O)c2ccc(C)cc2)c(-c2c(COC(=O)c3ccc(C)cc3)cc(OC)c3c2OCO3)c2c1OCO2 ZINC000084741791 KK Annotated Anodyne CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000084741914 KK Annotated Mild CC(=O)c1ccc(NC(=O)CSc2nc3cnccc3n2-c2c(C)cc(C)cc2C)c(Br)c1 ZINC000084742124 KK Annotated Anodyne N[C@@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccccc1 ZINC000084742205 KK Annotated Bother C=C[C@]1(C)C[C@@H](OC(=O)CSCc2csc(NC(=O)CNC3CCCCC3)n2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000084742249 KK Annotated Mild CCOS(=O)(=O)/C=C/c1ccc(OCCCCNc2nc(-c3cccc4ccccc34)cs2)cc1 ZINC000084742254 KK Annotated Mild CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4cccc(C#N)c4)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084742429 KK Annotated Mild CC(C)(O)c1cc2nc(N/N=C/c3cn(Cc4ccc(C#N)cc4)c4ccccc34)nc(N3CCOCC3)c2s1 ZINC000084742432 KK Annotated Mild COC(=O)[C@@]1(O)[C@]2(Oc3cc4c(cc(OC)c5cc(C)c(O)cc54)c(C)c3O2)c2c(cc(OC)c3cc(C)c(O)cc23)[C@@]1(C)O ZINC000084757256 KK Annotated Bother COC(=O)[C@]1(O)[C@](C)(O)c2cc(OC)c3cc(C)c(O)cc3c2[C@]12Oc1cc3c(cc(OC)c4cc(C)c(O)cc43)c(C)c1O2 ZINC000084757259 KK Annotated Bother Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Oc3nc(Cl)c(Cl)cc3Cl)c1)C(C#N)=C(N)O2 ZINC000084757263 KK Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Oc3nc(Cl)c(Cl)cc3Cl)c1)C(C#N)=C(N)O2 ZINC000084757265 KK Annotated Reactive CN1CCN(C(=O)N2Cc3c(NC(=O)c4cccc(Oc5ccccc5)c4)n[nH]c3C2(C)C)[C@@H](Cc2ccccc2)C1 ZINC000084757268 KK Annotated Anodyne COc1c(C(C)(C)C)cc(C(=O)N2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H](C)C2)cc1C(C)(C)C ZINC000084757404 KK Annotated Anodyne CCCCCCC[C@H](O)c1cccc(CN2CCC(COc3ccc(/C(=N\OC)c4ccc(Cl)cc4)c(Cl)c3)CC2)c1 ZINC000084757423 KK Annotated Mild BrCCCCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br ZINC000084757435 KK Annotated Reactive CC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C3CCNCC3)n2)C[C@H]1C ZINC000084757441 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cc(F)cc(F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084757471 KK Annotated Anodyne CCOC(=O)C(C)(C)Oc1ccc(C(c2cn(CC)c3ccccc23)c2cn(CC)c3ccccc23)cc1 ZINC000084757513 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084757725 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084757728 KK Annotated Anodyne BrCCCCCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br ZINC000084757730 KK Annotated Reactive CN1CCN(CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000084757732 KK Annotated Anodyne CC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C3CNC3)n2)C[C@H]1C ZINC000084757736 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(F)c(F)c5F)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084757761 KK Annotated Anodyne COc1ccccc1/C=C/C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]2(C)[C@](O)(C(C)=O)CC[C@]32O)C1 ZINC000084757848 KK Annotated Anodyne CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC=O)C[C@@H]1[C@@]3(C)CC[C@H](OC=O)C(C)(C)[C@@H]3CC[C@]12C ZINC000084757964 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(Cl)cc5Cl)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758036 KK Annotated Anodyne O=C(CCC(=O)Oc1ccccc1C(=O)Oc1ccc(-c2cc(=S)ss2)cc1)OCCCCO[N+](=O)[O-] ZINC000084758070 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(Cl)c3)cc2)C(C)C)c1 ZINC000084758086 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)C(C)C)c1 ZINC000084758089 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C(C)C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084758133 KK Annotated Mild COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)C ZINC000084758148 KK Annotated Reactive COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2cccnc2)cc1)C(C)(C)C ZINC000084758149 KK Annotated Reactive CCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(=O)CCCC)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084758157 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758176 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5C(F)(F)F)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758177 KK Annotated Anodyne CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCCN(C)C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084758186 KK Annotated Mild CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(OCC)c3)cc2)C(C)C)c1 ZINC000084758203 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)cc2)C(C)C)c1 ZINC000084758204 KK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)nc2cc(Cl)ccc2c1OP(=O)(O)O ZINC000084758220 KK Annotated Anodyne Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)nc2cc(Cl)ccc2c1OC(=O)N1CCOCC1 ZINC000084758221 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)cc1 ZINC000084758225 KK Annotated Anodyne CCCCCCC[C@@H](O)c1cccc(CN2CCC(COc3cccc(/C(=N\OC)c4ccc(Cl)cc4)c3)CC2)c1 ZINC000084758253 KK Annotated Mild CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCCN)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C ZINC000084758300 KK Annotated Mild CCOc1ccccc1/C=C/C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@]3(O)[C@@H]2C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]2(C)[C@](O)(C(C)=O)CC[C@]32O)C1 ZINC000084758311 KK Annotated Anodyne O=C(CN1c2ccccc2Sc2ccccc21)OCc1cn(CC(=O)c2ccc(Br)cc2)nn1 ZINC000084758327 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)cc1OC ZINC000084758345 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)cc(OC)c1 ZINC000084758346 KK Annotated Anodyne CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C)=O)C[C@H]1CC ZINC000084758351 KK Annotated Mild O=C(O)c1ccccc1-n1cc(C(=O)O)c(=O)c2cc(Cc3c(F)cc(F)cc3Cl)c(Cl)cc21 ZINC000084758409 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(F)c(C(F)(F)F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758415 KK Annotated Anodyne CCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084758499 KK Annotated Anodyne CCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084758500 KK Annotated Anodyne CC(C)(C)c1cc(CNC[C@@H]2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758696 KK Annotated Anodyne CC(C)(C)c1cc(CNC[C@H]2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1O ZINC000084758697 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(OC(=O)Oc3ccccc3)c(OC)cc3c1[C@H](CC2)N(C)CC3=O ZINC000084758733 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758770 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(F)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758771 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5Cl)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084758773 KK Annotated Anodyne O=C(CCN1c2ccccc2Sc2ccccc21)OCc1cn(CC(=O)c2ccc(Br)cc2)nn1 ZINC000084758775 KK Annotated Anodyne CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)CCC(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)n2)n1 ZINC000084758827 KK Annotated Reactive in-man CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)CCC(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)n2)n1 ZINC000084758829 KK Annotated Reactive in-man CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@](C)(O)CCCC(C)(C)O)[C@@H]12 ZINC000084758864 KK Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc4ccccc34)C[C@@H]1[S@]2=O ZINC000084758873 KK Annotated Anodyne Cc1cc(O)ccc1C1=C(c2ccc(O)cc2C)[C@H]2[C@@H](S(=O)(=O)Oc3cccc4ccccc34)C[C@@H]1[S@@]2=O ZINC000084758874 KK Annotated Anodyne CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084758889 KK Annotated Clean CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCOC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc1C2=O ZINC000084758890 KK Annotated Clean Cc1ccc(S(=O)(=O)/N=C(\O)[C@H](Cc2ccccc2)NC2=NC(=O)/C(=C/c3ccccc3Cl)S2)cc1 ZINC000084758950 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(F)c5F)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084759180 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C(C)C)c1 ZINC000084759201 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(C)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084759221 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(C=O)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084759222 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(F)c(F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084759312 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3ccc4[nH]ccc4c3)cc2)C(C)C)c1 ZINC000084759335 KK Annotated Anodyne O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2ccccc2COc2cccc1c2 ZINC000084759340 KK Annotated Anodyne O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2ccccc2-c2ccccc2COc2cccc1c2 ZINC000084759341 KK Annotated Anodyne C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CN1CCN(c2ccc(Cl)cc2)CC1 ZINC000084759344 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC(=O)CN1CCN(c2ccccc2)CC1 ZINC000084759345 KK Annotated Mild CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(N(C)C)c3)cc2)C(C)C)c1 ZINC000084759357 KK Annotated Anodyne Cc1nc(C(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2CNC(=O)c2cccc3occc23)c(-c2ccccc2)s1 ZINC000084759402 KK Annotated Anodyne COc1cccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)c1 ZINC000084759424 KK Annotated Anodyne CC(C)N(Cc1cccc(OCCCCCC(=O)O)c1)C(=O)c1ccc(-c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 ZINC000084759439 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)cc2)C(C)C)c1 ZINC000084759442 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cc4ccccc4n3S(=O)(=O)c3ccccc3)cc2)C(C)C)c1 ZINC000084759443 KK Annotated Anodyne FC(F)(F)c1cccc(Cn2cc(/C=N/Nc3nc(N4CCOCC4)c4sccc4n3)c3ccccc32)c1 ZINC000084759444 KK Annotated Mild CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(=O)CC)[C@@H]2[C@@H]([C@](C)(O)CCCC(C)(C)O)CC[C@]23C)C1(C)C ZINC000084759457 KK Annotated Anodyne COc1ccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)c(OC)c1OC ZINC000084759480 KK Annotated Anodyne COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](O)(C(C)=O)CC[C@]43O)C2)cc(OC)c1OC ZINC000084759481 KK Annotated Anodyne CC(C)(C)c1cc(C(=O)N2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(C(C)(C)C)c1O ZINC000084759504 KK Annotated Anodyne CCOC(=O)CCCCCOc1cccc(CN(C(=O)c2ccc(-c3cccc(CC#N)c3)cc2)C(C)C)c1 ZINC000084759525 KK Annotated Mild CC(=O)OCC/C1=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(C)=O)SS1 ZINC000084759546 KK Annotated Reactive CCCCCC[C@@H](CN1CCC(COc2ccc(/C(=N\OC)c3ccc(Cl)cc3)c(Cl)c2)CC1)OC(N)=O ZINC000084759562 KK Annotated Mild CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(C(F)(F)F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084759563 KK Annotated Anodyne CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(C(F)(F)F)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000084759564 KK Annotated Anodyne CCCC[C@]12O[C@@]34CCCC=C3C(=O)O[C@]43[C@@H](CCC)[C@@H]4C=C(C(=O)N1[C@H](C)c1ccccc1)[C@@]32CC4 ZINC000084759565 KK Annotated Anodyne CCCC[C@@]12O[C@]34CCCC=C3C(=O)O[C@@]43[C@H](CCC)[C@H]4C=C(C(=O)N1[C@H](C)c1ccccc1)[C@@]23CC4 ZINC000084759566 KK Annotated Anodyne C[C@@H]1N[C@H](CCCCCCCCCC[C@@H]2C=C(CCCCCCCCCC[C@H]3CC[C@@H](O)[C@@H](C)N3)CN3CCC[C@@H]23)CC[C@H]1O ZINC000084822178 KK Annotated Anodyne C[C@@H]1N[C@H](CCCCCCCCCCc2cc(CCCCCCCCCC[C@H]3CC[C@@H](O)[C@@H](C)N3)c[n+]3c2CCC3)CC[C@H]1O ZINC000084840288 KK Annotated Anodyne C=C(CCC=C(C)C)CC/C=C(\C)CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c(c2)O[C@@H](c2ccc(OC)c(OC)c2)CC3=O)[C@H](O)[C@@H](O)[C@@H]1O ZINC000084848717 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000084848720 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCO ZINC000084858034 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCO ZINC000084858035 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCO ZINC000084858036 KK Annotated Mild C/C(=C\CCC#C/C=C/[C@@H](C)[C@@H](O)/C(C)=C/CCc1cccc2ccccc12)C(=O)NCCOCCOCCOCCOCCOCCO ZINC000084858037 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000084858056 KK Annotated Mild C=C1CCCC2=NC[C@H](C)CC[C@@]23CCC([C@@H]2C[C@@H](C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@H]2O[C@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)C[C@H]2C ZINC000084858060 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)O2 ZINC000084868313 KK Annotated Mild COCCN(C(=O)c1sccc1Cl)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000084884063 KK Annotated Anodyne COCCN(C(=O)c1sccc1Cl)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000084884064 KK Annotated Anodyne COCCN(C(=O)c1sccc1Cl)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000084884065 KK Annotated Anodyne COCCN(C(=O)c1sccc1Cl)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000084884066 KK Annotated Anodyne COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000084884070 KK Annotated Anodyne COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2C=C[C@@H]1N1CCN(c2ccccc2)CC1 ZINC000084884071 KK Annotated Anodyne COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000084884072 KK Annotated Anodyne COCCN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H]1c2ccccc2C=C[C@H]1N1CCN(c2ccccc2)CC1 ZINC000084884073 KK Annotated Anodyne C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCc3ccccc3)CN(CCCc3ccccc3)C2)C1=O ZINC000084923890 KK Annotated Anodyne CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000008552265 KK Annotated Bother in-vitro CCC[C@@H](NC(=O)N1C(=O)C(CC)(CC)[C@@H]1Oc1ccc(C[P@@](=O)(O)c2ccccc2)cc1)c1ccc(C)cc1 ZINC000008568224 KK Annotated Anodyne CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008582337 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C(\C)CCN2CCCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008582338 KK Annotated Mild CCCNC(=O)OC[C@H]1O[C@@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008582354 KK Annotated Mild CCCNC(=O)OC[C@@H]1O[C@@H](CCO/N=C(\C)CCN2CCCc3nc(C)c(C)cc32)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000008582355 KK Annotated Mild CC(=O)OC[C@@H]1O[C@@H](CCO/N=C(\C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)C=C[C@@H]1OC(C)=O ZINC000008582410 KK Annotated Mild O=C(NCCC[N+]1=CC=N[C@@H]1c1ccccc1)N1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000008582436 KK Annotated Anodyne Cc1cc2c(nc1C)CCCN2C[C@@H](O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21 ZINC000008582437 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000008585127 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000008585130 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585158 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585162 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008585191 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008585194 KK Annotated Anodyne aggregator COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)c1 ZINC000008585198 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)c1 ZINC000008585202 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccccc2)cc1 ZINC000008585217 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccccc2)cc1 ZINC000008585220 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585224 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585240 KK Annotated Anodyne COc1ccc(O[C@@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2/c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000008585425 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C2/c3cc(OC)ccc3O[C@H](c3cccc(OC)c3)[C@@H]2O)cc1 ZINC000008585426 KK Annotated Mild COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008585808 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2cccnc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008585810 KK Annotated Anodyne C/C(CCC(=O)OC[C@H]1O[C@@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N/O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000008585959 KK Annotated Mild COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008586095 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008586102 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@@H]3c2ccc(Cl)nc2)cc1 ZINC000008586113 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008586115 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccccc2)c1 ZINC000008586121 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccccc2)c1 ZINC000008586123 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008586129 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008586131 KK Annotated Anodyne CCCCn1c(=NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 ZINC000008591399 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccc4F)CC3)cnn2-c2ccccc2Cl)CC1 ZINC000008596450 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2cnn(-c3ccccc3Cl)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008596573 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn(C(C)(C)C)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000008596665 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[C@H](c4ccccc4)C3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000008596679 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CC[C@@H](c4ccccc4)C3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000008596682 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4)[C@H](C)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597096 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4)[C@@H](C)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597099 KK Annotated Anodyne COC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597212 KK Annotated Anodyne CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597271 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597377 KK Annotated Anodyne COc1cc(OC)c(NC(=O)c2cnn(-c3cccc(Cl)c3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC000008597419 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597600 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)NCCCN3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597745 KK Annotated Anodyne COc1ccc(OC)c(CCNC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597762 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)NCCN3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597797 KK Annotated Anodyne Cc1ccc(-n2ncc(C(=O)NCCc3ccsc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597804 KK Annotated Anodyne aggregator Cc1cccc(-n2ncc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597928 KK Annotated Anodyne COc1ccc(-c2noc(N(c3cccc(Cl)c3)c3nc(-c4ccc(OC)c(OC)c4)no3)n2)cc1OC ZINC000008603499 KK Annotated Anodyne C[C@@]1([C@H](NS(=O)(=O)c2cccc3cccnc23)c2ccc(-c3ccccc3)cc2)C[C@H]1C1CCCCC1 ZINC000008607501 KK Annotated Anodyne COC[C@H]1[C@@H](C)C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000008607772 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](CO)[C@@H]1CO ZINC000008607787 KK Annotated Anodyne CC1(C)C(=O)C(c2ccccc2)=C2CN3C(=O)N(CCc4ccccc4)C(=O)[C@@]3(Cc3ccc(C(F)(F)F)cc3)C=C21 ZINC000008607805 KK Annotated Mild CCCc1cc2c(n1Cc1cc(F)cc(F)c1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000008607814 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@@H]12 ZINC000008607817 KK Annotated Anodyne CC[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@@H](COC)[C@H]1COC ZINC000008607824 KK Annotated Anodyne COC[C@H]1[C@@H](C)C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(OC)cc5)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]1COC ZINC000008607832 KK Annotated Anodyne CCCc1cc2c(n1CCc1ccc(Cl)cc1)[C@H](C)[C@@H]1CN(C(=O)c3ccccc3)[C@](C)(C(=O)OC)[C@H]21 ZINC000008628896 KK Annotated Anodyne C[C@H]1C2=C3[C@@H](CC[C@H]4[C@@H](OCc5ccc(F)cc5C(F)(F)F)OC[C@](C)([C@@H]34)N(C(=O)OC(C)(C)C)C2)[C@H]2COC(=O)OC[C@@H]12 ZINC000008628910 KK Annotated Anodyne O=C(O)CSc1nnc(Cc2cccc3ccccc23)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000008649483 KK Annotated Anodyne CC1(C)CCC(C)(C)c2cc(-c3csc(C4CCN(Cc5ccc(N(CCC#N)CCC#N)cc5)CC4)n3)ccc21 ZINC000008663611 KK Annotated Mild CC(=O)c1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000008666531 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccccc4C)[C@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1OC ZINC000008667073 KK Annotated Anodyne COc1ccc([C@@H]2CC3=NC(C)=C(C(=O)Nc4ccccc4C)[C@@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1OC ZINC000008667074 KK Annotated Anodyne COc1ccc([C@H]2CC3=NC(C)=C(C(=O)Nc4ccccc4C)[C@H](c4coc5ccc(C)cc5c4=O)C3=C(O)C2)cc1OC ZINC000008667075 KK Annotated Anodyne COc1cccc(N(C(=O)c2ccco2)c2nc(-c3sc(NC(=O)c4ccco4)nc3C)cs2)c1 ZINC000008672333 KK Annotated Anodyne aggregator O=C1C2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000008672601 KK Annotated Anodyne aggregator O=C1C2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000008672602 KK Annotated Anodyne aggregator O=C1C2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000008672603 KK Annotated Anodyne aggregator O=C1C2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000008672604 KK Annotated Anodyne aggregator CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(/CCC=C(C)C)C(=O)O ZINC000008674157 KK Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000008679850 KK Annotated Mild CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N\CCc3c[nH]c4ccccc34)OC(=O)N2C1=O ZINC000008679851 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\Cc3ccccc3)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000008679857 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(CC(=O)OC)C(=O)[C@H]12 ZINC000008679862 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000008679880 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(CC)C(=O)[C@H]12 ZINC000008679883 KK Annotated Mild CCC1=C2CC[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@H]2[C@@]2(Cc3ccccc3)/C(=N\Cc3ccccc3)OC(=O)N2C1=O ZINC000008679891 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(C)C(=O)[C@H]12 ZINC000008679892 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(C)[C@H]2C1=CC[C@H]1C(=O)N=C(O)[C@H]12 ZINC000008679895 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 ZINC000008679896 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N\CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N=C(O)[C@H]12 ZINC000008679897 KK Annotated Mild CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CC3CC3)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N=C(O)[C@H]12 ZINC000008679899 KK Annotated Mild FC(F)(F)c1ccc([C@@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008679903 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008679905 KK Annotated Mild Clc1ccc([C@@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cn1 ZINC000008679914 KK Annotated Anodyne aggregator FC(F)(F)c1ccc([C@@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2ccccc2)C4)cc1 ZINC000008679915 KK Annotated Anodyne COC(=O)c1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)cc1 ZINC000008679921 KK Annotated Anodyne aggregator O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1 ZINC000008680086 KK Annotated Anodyne aggregator Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(F)cc2)c1 ZINC000008680087 KK Annotated Anodyne aggregator COc1ccccc1[C@@H]1C(c2cccc(Cl)c2)=NN(c2ccc(Br)cc2)[C@H]1C(=O)N1CCOC1=O ZINC000008680088 KK Annotated Anodyne aggregator Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3cccc(C(F)(F)F)c3)Cc3ccccc3)CC2)cc1 ZINC000008680159 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3cccc(C(F)(F)F)c3)Cc3ccccc3)CC2)cc1 ZINC000008680160 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccc(C(F)(F)F)cc3)Cc3ccccc3)CC2)cc1 ZINC000008680165 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccc(C(F)(F)F)cc3)Cc3ccccc3)CC2)cc1 ZINC000008680166 KK Annotated Anodyne CC(C)C[C@@H](COCc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O ZINC000008680173 KK Annotated Anodyne CC(C)C[C@H](COCc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O ZINC000008680174 KK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=O)N([C@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680179 KK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=O)N([C@@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680180 KK Annotated Anodyne CC(C)C[C@@H](COCc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CCC1=O ZINC000008680181 KK Annotated Anodyne CC(C)C[C@H](COCc1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CCC1=O ZINC000008680182 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@H](COCc2cccc(Cl)c2)Cc2ccccc2)CC1 ZINC000008680185 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@@H](COCc2cccc(Cl)c2)Cc2ccccc2)CC1 ZINC000008680186 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680187 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680188 KK Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@H](COCc3cccc(C(F)(F)F)c3)Cc3ccccc3)CC2)c1 ZINC000008680195 KK Annotated Anodyne Cc1cccc(C(=O)N2CCC(=O)N([C@@H](COCc3cccc(C(F)(F)F)c3)Cc3ccccc3)CC2)c1 ZINC000008680196 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCC(=O)N([C@H](COCc2cccc(Cl)c2)Cc2ccccc2)CC1 ZINC000008680201 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCC(=O)N([C@@H](COCc2cccc(Cl)c2)Cc2ccccc2)CC1 ZINC000008680202 KK Annotated Anodyne Cc1cccc(COC[C@@H](Cc2ccccc2)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)c1 ZINC000008680205 KK Annotated Anodyne Cc1cccc(COC[C@H](Cc2ccccc2)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CCC2=O)c1 ZINC000008680206 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccc(Cl)c(Cl)c3)Cc3ccccc3)CC2)cc1 ZINC000008680207 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccc(Cl)c(Cl)c3)Cc3ccccc3)CC2)cc1 ZINC000008680208 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccc(Cl)cc3Cl)Cc3ccccc3)CC2)cc1 ZINC000008680209 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccc(Cl)cc3Cl)Cc3ccccc3)CC2)cc1 ZINC000008680210 KK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=O)N([C@H](COCc2ccc(C(F)(F)F)cc2)Cc2ccccc2)CC1 ZINC000008680213 KK Annotated Anodyne O=C(c1ccc(C(F)(F)F)cc1)N1CCC(=O)N([C@@H](COCc2ccc(C(F)(F)F)cc2)Cc2ccccc2)CC1 ZINC000008680214 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@H](COCc2cccc(C(F)(F)F)c2)Cc2ccccc2)CC1 ZINC000008680240 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@@H](COCc2cccc(C(F)(F)F)c2)Cc2ccccc2)CC1 ZINC000008680241 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@H](COCc2ccc(Cl)cc2)Cc2ccccc2)CC1 ZINC000008680242 KK Annotated Anodyne O=C(c1ccc(Cl)c(Cl)c1)N1CCC(=O)N([C@@H](COCc2ccc(Cl)cc2)Cc2ccccc2)CC1 ZINC000008680243 KK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CCC(=O)N([C@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680244 KK Annotated Anodyne O=C(c1cc(Cl)cc(Cl)c1)N1CCC(=O)N([C@@H](COCc2ccccc2)Cc2ccccc2)CC1 ZINC000008680245 KK Annotated Anodyne Cc1cccc(COC[C@@H](Cc2ccccc2)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CCC2=O)c1 ZINC000008680246 KK Annotated Anodyne Cc1cccc(COC[C@H](Cc2ccccc2)N2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CCC2=O)c1 ZINC000008680247 KK Annotated Anodyne O=c1cc(-c2ccccc2Cl)oc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)ccc(O)c12 ZINC000008680788 KK Annotated Clean aggregator CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@H]2C(C)(C)CCC[C@@]32C)cc2c1CC[C@H]1C(C)(C)CCC[C@@]21C ZINC000008681240 KK Annotated Anodyne CC(C)c1c(O)c(-c2cc3c(c(C(C)C)c2O)CC[C@@H]2C(C)(C)CCC[C@@]32C)cc2c1CC[C@@H]1C(C)(C)CCC[C@@]21C ZINC000008681243 KK Annotated Anodyne CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@@]3(C)CC[C@@]12C ZINC000008681498 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@]12C ZINC000008681798 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(=CC[C@H]3[C@@H]3CO[C@@H](C(C)(C)O)[C@H](O)C3)[C@@]21C ZINC000008681800 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000008681880 KK Annotated Anodyne aggregator COc1ccc2c(c1)C(=O)[C@@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681886 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000008681887 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O ZINC000008681894 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681897 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)NCCc1ccc(OC)c(OC)c1)C2=O ZINC000008681899 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)Nc2cc(OC)c(OC)c(OC)c2)c1 ZINC000008681902 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)C2=O ZINC000008681914 KK Annotated Anodyne aggregator COc1ccc2c(c1)C(=O)[C@H](OC(=O)Nc1ccc(OC(F)F)cc1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681922 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)C2=O ZINC000008681923 KK Annotated Anodyne aggregator COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000008681929 KK Annotated Anodyne aggregator COc1ccc2c(c1)C(=O)[C@H](OC(=O)Nc1ccc(C)c(Br)c1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681938 KK Annotated Anodyne aggregator COc1cccc([C@@H]2Oc3ccc(OC)cc3C(=O)[C@H]2OC(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000008681963 KK Annotated Anodyne Cc1ccc(NC(=O)O[C@@H]2C(=O)c3cc(Br)ccc3O[C@H]2c2ccc3c(c2)OCO3)cc1Br ZINC000008681981 KK Annotated Anodyne aggregator COc1ccc2c(c1)C(=O)[C@@H](OC(=O)NCCc1ccc(OC)c(OC)c1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681982 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)N[C@H]1CCCc3ccccc31)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681986 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)N[C@H]1CCCc3ccccc31)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000008681988 KK Annotated Anodyne aggregator COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000008682006 KK Annotated Anodyne COc1ccc2c(c1)O[C@@H](c1cccc(C(F)(F)F)c1)[C@H](OC(=O)Nc1ccc(OC(F)F)cc1)C2=O ZINC000008682018 KK Annotated Anodyne aggregator COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)Nc2ccc(C)c(Br)c2)c1 ZINC000008682026 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@@H](OC(=O)Nc1ccc(C)c(Br)c1)[C@H](c1ccc(OC)c(Br)c1)O2 ZINC000008682031 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000008682035 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C(=O)[C@H]2OC(=O)NCCc2ccc(OC)c(OC)c2)c1 ZINC000008682040 KK Annotated Anodyne O=C(N[C@H]1CCCc2ccccc21)O[C@@H]1C(=O)c2cc(Br)ccc2O[C@H]1c1ccc2c(c1)OCO2 ZINC000008682042 KK Annotated Anodyne COc1ccc2c(c1)C(=O)[C@H](OC(=O)NCCc1ccc(OC)c(OC)c1)[C@@H](c1ccc(OC)c(Br)c1)O2 ZINC000008682044 KK Annotated Anodyne COc1cccc([C@@H]2Oc3ccc(Br)cc3C[C@H]2OC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000008682057 KK Annotated Anodyne aggregator Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@H]4CC=C[C@H]34)cc2)c(Br)c1 ZINC000008685317 KK Annotated Reactive Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H]4CC=C[C@H]34)cc2)c(Br)c1 ZINC000008685318 KK Annotated Reactive Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@H]4CC=C[C@@H]34)cc2)c(Br)c1 ZINC000008685319 KK Annotated Reactive CCCn1c(O)nnc1SCC(=O)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@H]1c1ccc(OC)cc1 ZINC000008685489 KK Annotated Anodyne CCCn1c(O)nnc1SCC(=O)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000008685490 KK Annotated Anodyne CCCn1c(O)nnc1SCC(=O)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 ZINC000008685491 KK Annotated Anodyne CCCn1c(O)nnc1SCC(=O)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000008685492 KK Annotated Anodyne CC(C)(C)[C@H]([C@H](Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000008686070 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(/N=C(\S)Nc3ccc(SC(F)F)cc3)c2)cc1 ZINC000008686731 KK Annotated Mild aggregator CC(=O)c1ccc(N(C(=O)Cc2c[nH]c3ccccc23)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 ZINC000008687022 KK Annotated Anodyne O=C(Oc1cccc(/N=C2\C(=O)c3ccccc3C(O)=C2n2nnc3ccccc32)c1)c1cccc([N+](=O)[O-])c1 ZINC000008687118 KK Annotated Mild CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 ZINC000008687690 KK Annotated Reactive aggregator CCn1c2ccccc2c2cc(/N=C3\S[C@@H](CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000008687871 KK Annotated Mild CCn1c2ccccc2c2cc(/N=C3\S[C@H](CC(=O)Nc4ccccc4OC)C(=O)N3CCOC)ccc21 ZINC000008687872 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)CN2CCCCc3nc(C)c(C)cc32)cc1 ZINC000008688080 KK Annotated Mild C/C(CCC(=O)OC[C@H]1O[C@H](C#Cc2ccccc2)C=C[C@@H]1Oc1ccc(C)cc1)=N\O[C@@H](C)CN1CCCCc2nc(C)c(C)cc21 ZINC000008688083 KK Annotated Mild CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc12 ZINC000008689932 KK Annotated Anodyne CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc12 ZINC000008689933 KK Annotated Anodyne CC[C@@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc12 ZINC000008689934 KK Annotated Anodyne CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccc(OC)cc12 ZINC000008689935 KK Annotated Anodyne FC(F)(F)c1ccc(CN2C[C@@H]3[C@@H](c4ccc(Cl)nc4)C4(c5cccnc5)CC3(C4)[C@H]2c2ccccc2)cc1 ZINC000008690091 KK Annotated Anodyne c1ccc(-c2ccc(CN3C[C@@H]4[C@@H](c5ccccc5)C5(c6cccnc6)CC4(C5)[C@H]3c3ccccc3)cc2)cc1 ZINC000008690093 KK Annotated Anodyne Clc1ccc([C@@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cn1 ZINC000008690095 KK Annotated Anodyne FC(F)(F)c1ccc([C@@H]2[C@H]3CN(CC4CCCCC4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008690096 KK Annotated Anodyne FC(F)(F)c1ccc([C@@H]2[C@H]3CN(Cc4ccc(-c5ccccc5)cc4)[C@H](c4ccccc4)C34CC2(c2cccnc2)C4)cc1 ZINC000008690098 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C(F)(F)F)nc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008692094 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccccn4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008692096 KK Annotated Anodyne Cn1cnnc1SCc1ccc(C(=O)/N=N\c2c(O)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 ZINC000008693907 KK Annotated Clean COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N/OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000008801826 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2CO/N=C(\C)CCC(=O)OC[C@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)cc1 ZINC000008801842 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/OC[C@@H](O)COCc2ccco2)cc1 ZINC000008801844 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)c2cn([C@H](CO)Cc3ccccc3)nn2)cc1 ZINC000008801846 KK Annotated Mild COc1ccc(O[C@H]2C=C[C@@H](c3ccccc3)O[C@@H]2COC(=O)CC/C(C)=N/O[C@@H](C)c2cc(-c3c(C)cc(C)cc3C)no2)cc1 ZINC000008801847 KK Annotated Mild C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(Br)cc1 ZINC000008801853 KK Annotated Anodyne CC(C)C[C@@H](COCc1cccc(Cl)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008801900 KK Annotated Anodyne CC(C)C[C@H](COCc1cccc(Cl)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008801901 KK Annotated Anodyne CC(C)C[C@@H](COCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008801902 KK Annotated Anodyne CC(C)C[C@H](COCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CCC1=O ZINC000008801903 KK Annotated Anodyne COc1ccc(COC[C@H](CC(C)C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000008801906 KK Annotated Anodyne COc1ccc(COC[C@@H](CC(C)C)N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000008801907 KK Annotated Anodyne Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H](c1ccccc1)[C@]1(C)C[C@H]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000008829499 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829516 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829527 KK Annotated Anodyne CC1=C(C(=O)OCC(Br)(Br)Br)[C@H](c2ccc(Br)cc2)NC(=O)N1CCCC(=O)O ZINC000008829528 KK Annotated Anodyne CC1=C(C(=O)OCC(Br)(Br)Br)[C@@H](c2ccc(Br)cc2)NC(=O)N1CCCC(=O)O ZINC000008829529 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccc(O)cc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829541 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1CCCCCC(=O)O ZINC000008829548 KK Annotated Anodyne CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1CCCCCC(=O)O ZINC000008829549 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(C)o4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829551 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829553 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(Cc4ccc(OC(F)(F)F)cc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829556 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4c[nH]c5ccc(OC)cc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829561 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(O)c(O)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829570 KK Annotated Clean O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000008829572 KK Annotated Reactive aggregator COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829573 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccc(OC)c(OC)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000008829594 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(P(=O)(c2ccccc2)c2ccccc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008860371 KK Annotated Reactive COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccc(C(F)(F)F)cc2)c1 ZINC000008860372 KK Annotated Anodyne COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(-c5ccccc5)cc2)C[C@@H]4[C@H]3c2ccccc2)c1 ZINC000008860375 KK Annotated Anodyne N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 ZINC000008860376 KK Annotated Mild COC(=O)c1cccc(C23CC4(C2)[C@@H](c2ccccc2)N(Cc2ccc(C(F)(F)F)cc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)c1 ZINC000008860377 KK Annotated Anodyne O=[N+]([O-])c1cccc(/C=N/Nc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)nc(Nc3cccc4ccccc34)n2)c1 ZINC000008872696 KK Annotated Mild CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000008925877 KK Annotated Mild CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000008925878 KK Annotated Mild CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000008925964 KK Annotated Mild CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O ZINC000085425899 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000085426970 KK Annotated Anodyne in-vitro C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085487029 KK Annotated Mild in-vitro biogenic CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c1O ZINC000085487129 KK Annotated Anodyne in-vitro biogenic COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3O)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C ZINC000085487133 KK Annotated Anodyne in-vitro biogenic CC1=C(/C=C\C(C)=C/C=C\C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000085487593 KK Annotated Bother in-vitro biogenic CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000085487594 KK Annotated Bother in-vitro biogenic C[C@@H]1N[C@H]([C@@H]2CC[C@@H]3CCC4(CCCC4)CC[C@@](O)(CC(=O)O)CN[C@@]4(C)C[C@@H](N)N[C@@H](Cc5cccc(c5)C[C@H]3C2)C4)CC[C@H]1O ZINC000085487821 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H]([C@@H]2CC[C@@H]3CCC4(CCCC4)CC[C@@](O)(CC(=O)O)CN[C@@]4(C)C[C@H](N[C@@H](N)C4)C4(CCCCC4)c4cccc(c4)C[C@@H]3C2)CC[C@H]1O ZINC000085487831 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H]([C@H]2CC[C@@H]3CCCCC[C@@](O)(CC(=O)O)CN[C@@]4(C)C[C@H](N)N[C@H](C4)C4(CCCCC4)c4cccc(c4)C[C@H]3C2)CC[C@H]1O ZINC000085487872 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CC[C@H]2CCCCCC[C@@](O)(CC(=O)O)CN[C@@]3(C)C[C@@H](N)N[C@@H](C3)C3(CCCCC3)c3cccc(c3)C2)CC[C@H]1O ZINC000085487894 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CC[C@@H]2CCCC3(CCCC3)CC[C@@](O)(CC(=O)O)CN[C@]3(C)CCN[C@H](Cc4cccc(c4)C2)C3)CC[C@H]1O ZINC000085488019 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CC[C@H]2CCCCCC[C@@](O)(CC(=O)O)CN[C@@]3(C)CCN[C@H](C3)C3(CCCCC3)c3cccc(c3)C2)CC[C@H]1O ZINC000085488064 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)[C@H](OC(C)=O)[C@@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085488309 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@]1(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085488666 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@]1(O)C[C@H](O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085488669 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000085488672 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)C[C@@H](NC)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000085488679 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/[C@H](C(O)(O)CC=O)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488740 KK Annotated Mild in-vitro biogenic Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(O)c(-c4c(O)cc(O)c5c4Oc4c(O)cc(O)c(Oc6cc(O)cc(O)c6)c4O5)c2O3)c1 ZINC000085488745 KK Annotated Anodyne in-vitro biogenic Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(cc(O)c(-c4c(O)cc5c(c4O)Oc4c(Oc6cc(O)cc(O)c6)c(O)cc(O)c4O5)c2O)O3)c1 ZINC000085488749 KK Annotated Anodyne in-vitro biogenic CC1(C)C=Cc2c(ccc3c(=O)c4c(O)cc(O[C@H]5c6c(cc(O)c7c(=O)c8ccc(O)c(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1 ZINC000085488756 KK Annotated Clean in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/[C@H](C(O)(O)CC=O)[C@H](C(=O)O)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488762 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/[C@H](C(O)O)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488767 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@@H](C(=O)O)[C@H](C(O)O)/C=C/C[C@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488793 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@@H](C(=O)O)[C@H](CO)/C=C/C[C@@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488798 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/[C@H](CO)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488810 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@@H]2Cc3ccc4c(c3)[C@]3(C[C@@H]5C(O)=c6ccccc6=C[C@@H]5C[C@@H]3C=C4)[C@H](C(=O)O)C/C=C/C[C@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488828 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@@H](C(=O)O)C/C=C/C[C@@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488835 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@@H](C(=O)O)[C@H](CO)/C=C/C[C@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488838 KK Annotated Mild in-vitro biogenic Cc1cc2c(c(O)c1-c1c(C)cc(O)c3c1C(=O)C=CC3=O)C(=O)C(C1=CC(=O)c3cc(C)c(-c4c(C)cc(O)c5c4C(=O)C=CC5=O)c(O)c3C1=O)=CC2=O ZINC000085488845 KK Annotated Mild in-man endogenous NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C=C/C[C@H](C(=O)O)[C@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085488851 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)[C@]34C[C@@H]5C(O)=c6ccccc6=C[C@@H]5C[C@@H]3C=Cc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488854 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/C[C@H](C(=O)O)[C@]34C[C@@H]5C(O)=c6ccccc6=C[C@@H]5C[C@H]3CCc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488857 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/[C@H](CO)[C@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488866 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCC[C@H](C=O)[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488870 KK Annotated Mild in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488874 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1[C@H](C(O)O)/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C(O)[C@@H]1C2 ZINC000085488878 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@H]1C/C=C/[C@@H](CO)[C@H](C(=O)O)[C@@]2(CC[C@@H]3C=c4ccccc4=C(O)[C@@H]3C2)c2cccc(c2)C[C@@H]1c1ccc(O)cc1)[C@@H]1C=C(CO)CC1 ZINC000085488881 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085488884 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@@H]2C/C=C/C[C@@H](C(=O)O)[C@@]34C[C@@H]5C=c6ccccc6=C[C@@H]5C[C@@H]3C=Cc3ccc(cc34)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085488887 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)[C@@]34C[C@@H]5C=c6ccccc6=C[C@@H]5C[C@@H]3CCc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488894 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@H](C(=O)O)[C@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085488904 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/C[C@@H](C(=O)O)[C@@]34C[C@@H]5C(O)=c6ccccc6=C[C@@H]5C[C@@H]3C=Cc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488911 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/C[C@H](C(=O)O)[C@]34C[C@@H]5C(O)=c6ccccc6=C[C@@H]5C[C@H]3CCc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085488916 KK Annotated Anodyne in-vitro biogenic CNC[C@H](O)[C@@H]1/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]2(CC[C@@H]3C=c4ccccc4=C(O)[C@@H]3C2)[C@H]1C(=O)O ZINC000085488919 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)[C@@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@@H](C(=O)O)[C@H](CO)/C=C/C[C@H]2CCCCCC[C@@H]2C=C(CO)CC2)ccc1O ZINC000085488921 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085488924 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@H]1C/C=C/C[C@@H](C(=O)O)[C@@]2(CC[C@@H]3C=c4ccccc4=C(O)[C@@H]3C2)c2cccc(c2)C[C@H]1c1ccc(O)cc1)[C@@H]1C=C(CO)CC1 ZINC000085488931 KK Annotated Mild in-vitro biogenic O=C(O)[C@H]1[C@H](CO)/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C(O)[C@@H]1C2 ZINC000085488933 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1[C@H](CO)/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12C[C@@H]1C(O)=c4ccccc4=C[C@@H]1C[C@@H]2C=C3 ZINC000085488936 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1[C@H](CO)/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12C[C@@H]1C(O)=c4ccccc4=C[C@@H]1C[C@@H]2CC3 ZINC000085488940 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)[C@@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085488946 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C(O)[C@@H]4C3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=C(CO)CC2)ccc1O ZINC000085488954 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/C[C@@H](C(=O)O)[C@@]34C[C@@H]5C=c6ccccc6=C[C@@H]5C[C@@H]3C=Cc3ccc(cc34)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085488962 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@H]1C/C=C/C[C@@H](C(=O)O)[C@@]2(CC[C@@H]3C=c4ccccc4=C[C@@H]3C2)c2cccc(c2)C[C@H]1c1ccc(O)cc1)[C@@H]1C=C(CO)CC1 ZINC000085488968 KK Annotated Mild in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12CC[C@@H]1C=c3ccccc3=C(O)[C@@H]1C2 ZINC000085488975 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H]1C(O)=c4ccccc4=C[C@@H]1C[C@@H]2C=C3 ZINC000085488979 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12C[C@@H]1C(O)=c4ccccc4=C[C@@H]1C[C@H]2CC3 ZINC000085488982 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1[C@H](CO)/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C[C@@H]1C2 ZINC000085488987 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=C(CO)CC2)ccc1O ZINC000085488990 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C[C@@H]1C2 ZINC000085488994 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H]1C=c4ccccc4=C[C@@H]1C[C@@H]2C=C3 ZINC000085488997 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12C[C@@H]1C=c4ccccc4=C[C@@H]1C[C@@H]2CC3 ZINC000085489001 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@H]1C/C=C/C[C@@H](C(=O)O)[C@@]2(CC[C@@H]3C=c4ccccc4=C[C@@H]3C2)c2cccc(c2)C[C@H]1c1ccc(O)cc1)[C@@H]1C=CCC1 ZINC000085489003 KK Annotated Mild in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12CC[C@@H]1C=c3ccccc3=C(O)[C@@H]1C2 ZINC000085489006 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CC[C@@H]4C=c5ccccc5=C[C@@H]4C3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000085489009 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CC[C@@H]1C=c3ccccc3=C[C@@H]1C2 ZINC000085489012 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H]1C=c4ccccc4=C[C@@H]1C[C@@H]2C=C3 ZINC000085489019 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12C[C@@H]1C=c4ccccc4=C[C@@H]1C[C@@H]2CC3 ZINC000085489025 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/C[C@@H](C(=O)O)[C@@]3(CCC[C@@H](O)C3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085489032 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)C3(CCCCC3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085489034 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/[C@H](CO)[C@H](C(=O)O)C3(CCCCC3)c3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085489040 KK Annotated Anodyne in-vitro biogenic CNC[C@@H]1CCC[C@@]2(C1)c1cccc(c1)C[C@@H](c1ccc(O)cc1)[C@H](CCCCCC[C@@H]1C=C(CCN)CC1)C/C=C/C[C@H]2C(=O)O ZINC000085489042 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@@H]1C/C=C/C[C@@H](C(=O)O)[C@@]2(CCC[C@@H](O)C2)c2cccc(c2)C[C@H]1c1ccc(O)cc1)[C@@H]1C=C(CO)CC1 ZINC000085489050 KK Annotated Mild in-vitro biogenic O=C(O)[C@@H]1[C@@H](CO)/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@@]12CCC[C@H](O)C2 ZINC000085489054 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C3=C\C[C@@H](C(=O)O)C4(CCCCC4)c4cccc(c4)C[C@]2(c2ccc(O)cc2)CC3)CC1 ZINC000085489064 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CCC[C@@H](O)C3)[C@H](C(=O)O)C/C=C/C[C@H]2CCCCCC[C@@H]2C=C(CO)CC2)ccc1O ZINC000085489066 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)C3(CCCCC3)c3cccc(c3)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085489072 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@@H](C(=O)O)[C@]34CCCC[C@@H]3CCc3ccc(cc34)C[C@@H]2c2ccc(O)cc2)CC1 ZINC000085489074 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H]([C@@H](C=O)CCCCC[C@H]2C/C=C/C[C@H](C(=O)O)Cc3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085489080 KK Annotated Mild in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@@H]2C/C=C/[C@H](CO)[C@H](C(=O)O)Cc3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085489082 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)C[C@@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085489087 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CCC[C@@H](O)C2 ZINC000085489093 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H](O)CC[C@@H]2C=C3 ZINC000085489100 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H](O)CC[C@@H]2CC3 ZINC000085489107 KK Annotated Anodyne in-vitro biogenic NCCC1=C[C@@H](CCCCCC[C@H]2C/C=C/C[C@H](C(=O)O)Cc3cccc(c3)C[C@H]2c2ccc(O)cc2)CC1 ZINC000085489125 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2Cc3cccc(c3)[C@]3(CCC[C@@H](O)C3)[C@H](C(=O)O)C/C=C/C[C@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000085489131 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@@H]2CC/C(=C\CCC(=O)O)C[C@H]2CCCCCC[C@@H]2C=C(CCN)CC2)ccc1O ZINC000085489133 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)C12CCCCC2 ZINC000085489137 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@H]1C/C=C/C[C@H](C(=O)O)C2(CCCCC2)c2cccc(c2)C[C@@H]1c1ccc(O)cc1)[C@@H]1C=CCC1 ZINC000085489142 KK Annotated Mild in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)[C@]12CCC[C@@H](O)C2 ZINC000085489146 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@@H](O)CC[C@@H]2C=C3 ZINC000085489148 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@@]12C[C@H](O)CC[C@@H]2CC3 ZINC000085489152 KK Annotated Anodyne in-vitro biogenic CNC[C@@H]1CCC[C@@]2(C1)c1cccc(c1)C[C@@H](c1ccc(O)cc1)[C@H](CCCCCC[C@@H]1C=CCC1)C/C=C/C[C@H]2C(=O)O ZINC000085489165 KK Annotated Anodyne in-vitro biogenic CCCCCc1cc([C@H]2Cc3cccc(c3)C3(CCCCC3)[C@H](C(=O)O)C/C=C/C[C@@H]2CCCCCC[C@@H]2C=CCC2)ccc1O ZINC000085489176 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=C(CO)CC2)[C@H](c2ccc(O)cc2)Cc2cccc(c2)C1 ZINC000085489181 KK Annotated Anodyne in-vitro biogenic O=C[C@@H](CCCCC[C@H]1C/C=C/C[C@H](C(=O)O)Cc2cccc(c2)C[C@H]1c1ccc(O)cc1)[C@@H]1C=CCC1 ZINC000085489198 KK Annotated Mild in-vitro biogenic O=C(O)[C@@H]1C/C=C2/CC[C@@](c3ccc(O)cc3)(Cc3cccc(c3)C13CCCCC3)[C@H](CCCCCC[C@@H]1C=CCC1)C2 ZINC000085489199 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2cccc(c2)C12CCCCC2 ZINC000085489201 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12CCCC[C@@H]2C=C3 ZINC000085489203 KK Annotated Anodyne in-vitro biogenic O=C(O)[C@@H]1C/C=C/C[C@H](CCCCCC[C@@H]2C=CCC2)[C@@H](c2ccc(O)cc2)Cc2ccc3c(c2)[C@]12CCCC[C@@H]2CC3 ZINC000085489204 KK Annotated Anodyne in-vitro biogenic COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1OC)Oc1ccc(cc1)CC3=NCC2)N(C)CC4 ZINC000085489327 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H](C)[C@H](C)[C@@H]2C3=CC[C@@H]4[C@@]56CC[C@@](O)(OC5)C(C)(C)[C@H]6CC[C@@]4(C)[C@]3(C)CC[C@H]2[C@@H]1C(=O)O ZINC000085489369 KK Annotated Anodyne in-vitro biogenic CC1=C[C@@H](/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C)[C@H](C)CC1=O ZINC000085489584 KK Annotated Mild in-vitro biogenic CC1=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)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085489682 KK Annotated Mild in-vitro biogenic CC(=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)/C=C/C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ZINC000085489706 KK Annotated Mild in-vitro biogenic 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@H]1C(C)=CCCC1(C)C ZINC000085489882 KK Annotated Bother in-vitro biogenic CC1=CCCC(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=C/[C@@]12O[C@]1(C)CCCC2(C)C ZINC000085489895 KK Annotated Bother in-vitro biogenic CC1=CCCC(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=C/[C@H]1C(C)=CCCC1(C)C ZINC000085489900 KK Annotated Bother in-vitro biogenic CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)CC=C1 ZINC000085490142 KK Annotated Bother in-vitro biogenic C[N+]1(CC(=O)C[N+]2(C)Cc3c(ccc4c3OCO4)-c3ccc4cc5c(cc4c32)OCO5)Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4 ZINC000085490309 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H]2N[C@@H](C)CCC[C@@H]2CC(=O)O)N[C@@H]([C@@](C)(O)C2(c3ccc(O)cc3)CCCCC2)CC#Cc2ccccc2CC1 ZINC000085490335 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H]2N[C@@H](C)CCC[C@@H]2CC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2CCO)CC#Cc2c(CC)cccc2CC1 ZINC000085490342 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H]2N[C@@H](C)CCC[C@@H]2CC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2CCO)CC#Cc2ccccc2CC1 ZINC000085490355 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@H]2CCCC2(CC(=O)O)CCCC2)c2ccccc2CC1 ZINC000085490361 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H]2N[C@@H](C)CCC[C@H]2CC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2c(CC)cccc2CC1 ZINC000085490368 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H]2N[C@H](C)CCC[C@@H]2CC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490373 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2ccccc2CC1 ZINC000085490379 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3CCO)C#C[C@H](C[C@@H]2CCCCCC(=O)O)c2c(CC)cccc2CC1 ZINC000085490396 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)C2(c3ccc(O)cc3)CCCCC2)CC#Cc2ccccc2CC1 ZINC000085490399 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H]2NC[C@@](C)(O)[C@H](c3ccc(O)cc3)C#C[C@H](C[C@@H]2CCCC2(CC(=O)O)CCCC2)c2ccccc2CC1 ZINC000085490408 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)[C@H](CCCO)c2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490411 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)C2(c3ccc(O)cc3)CCCCC2)CC#Cc2ccccc2CC1 ZINC000085490414 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@H]2[C@@H](C#Cc3ccccc3CC1)C=CC[C@]2(O)Cc1ccc(O)cc1 ZINC000085490418 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCC2(CC(=O)O)CCCC2)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490430 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)[C@H](CCCO)c2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490443 KK Annotated Mild in-vitro biogenic 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@H]1C=C2C(C)(C)C[C@@H](O)C[C@@]2(C)O1 ZINC000085490449 KK Annotated Bother in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@H]2[C@@H](C#Cc3ccccc3CC1)C=CC[C@]2(O)Cc1ccc(O)cc1 ZINC000085490453 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](NCC)C2(CC(=O)O)CCCC2)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490457 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2c(CC)cccc2CC1 ZINC000085490461 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490464 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2c(CC)cccc2CC1 ZINC000085490477 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H](CCC(=O)O)CCC(C)C)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490479 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490484 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@@](C)(O)[C@H](CCC(C)C)c2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490490 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2)[C@@H](CCCCCC(=O)O)CCc2ccccc2CC1 ZINC000085490493 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)C2(c3ccc(O)cc3)CCCCC2)CC#Cc2ccccc2CC1 ZINC000085490497 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@H]2[C@@H](C#Cc3ccccc3CC1)C=CC[C@]2(O)Cc1ccc(O)cc1 ZINC000085490502 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2)[C@@H](CC[C@H](CCC(=O)O)NCC)CCc2ccccc2CC1 ZINC000085490509 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)[C@H](CCCO)c2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490514 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCC2(CC(=O)O)CCCC2)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490516 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2CCO)CC#Cc2ccccc2CC1 ZINC000085490524 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2c(CC)cccc2CC1 ZINC000085490529 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)C2(c3ccc(O)cc3)CCCCC2)[C@@H](CCCCCC(=O)O)CCc2ccccc2CC1 ZINC000085490534 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2)[C@@H](CCCC2(CC(=O)O)CCCC2)CCc2ccccc2CC1 ZINC000085490542 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490547 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2CCO)[C@@H](CCCCCC(=O)O)CCc2ccccc2CC1 ZINC000085490550 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@@H](CCC[C@@H](CCC(=O)O)CCC(C)C)N[C@@H]([C@@](C)(O)Cc2ccc(O)cc2)CC#Cc2ccccc2CC1 ZINC000085490551 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2)[C@@H](CCCCCC(=O)O)CCc2c(CC)cccc2CC1 ZINC000085490556 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@](C)(O)c2cccc(O)c2)CC#Cc2c(CC)cccc2CC1 ZINC000085490559 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2)[C@@H](CCCCCC(=O)O)CCc2ccccc2CC1 ZINC000085490573 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)N[C@@H]([C@](C)(O)c2cccc(O)c2)CC#Cc2ccccc2CC1 ZINC000085490579 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](NC[C@@](C)(O)Cc2ccc(O)cc2)[C@@H](CC[C@@H](CCC(=O)O)CCC(C)C)CCc2ccccc2CC1 ZINC000085490580 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@@](C)(O)Cc1ccc(O)cc1 ZINC000085490587 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)NC[C@@](C)(O)Cc1ccc(O)cc1 ZINC000085490590 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@H](CCC(=O)O)NCC)N[C@@H]([C@H](C)O)CC#Cc2c(CC)cccc2CC1 ZINC000085490606 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@@](C)(O)C1(c2ccc(O)cc2)CCCCC1 ZINC000085490619 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@@](C)(O)[C@H](CCCO)c1ccc(O)cc1 ZINC000085490623 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCC1(CC(=O)O)CCCC1)NC[C@@](C)(O)Cc1ccc(O)cc1 ZINC000085490640 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1cccc(CC)c1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@@](C)(O)Cc1ccc(O)cc1 ZINC000085490648 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@@](C)(O)Cc1ccc(O)cc1CCO ZINC000085490652 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCCCC2(CC(=O)O)CCCC2)N[C@@H]([C@H](C)O)CC#Cc2c(CC)cccc2CC1 ZINC000085490663 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@@H](CCCCC2(CC(=O)O)CCCC2)N[C@@H]([C@H](C)O)CC#Cc2ccccc2CC1 ZINC000085490670 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@@](C)(O)Cc1ccc(O)cc1 ZINC000085490675 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCC[C@@H](CCC(=O)O)CCC(C)C)NC[C@@](C)(O)Cc1ccc(O)cc1 ZINC000085490684 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H](CCC(=O)O)CCC(C)C)N[C@@H]([C@H](C)O)CC#Cc2c(CC)cccc2CC1 ZINC000085490695 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCCCCCC(=O)O)NC[C@](C)(O)c1cccc(O)c1 ZINC000085490698 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C1=C(\C[C@H](O)CO)[C@H](CCC[C@@H](CCC(=O)O)CCC(C)C)N[C@@H]([C@H](C)O)CC#Cc2ccccc2CC1 ZINC000085490708 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)O)CCc2c(CC)cccc2CC1 ZINC000085490713 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](O)[C@H](O)/C=C/C1=C(\C[C@H](O)CO)C[C@H](CCCCCC(=O)O)CCc2ccccc2CC1 ZINC000085490731 KK Annotated Anodyne in-vitro biogenic C/C(=C\C(=O)O[C@@H](C)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C)C(C)C ZINC000085490770 KK Annotated Anodyne C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085490783 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)/C=C/C(CCc1ccccc1)=C(\C[C@H](O)CO)[C@H](CCC[C@@H](CCC(=O)O)CCC(C)C)NC[C@H](C)O ZINC000085490839 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](O)/C=C/C(Cc1cccc(O)c1)=C(/CCCC[C@@H](CCC(=O)O)CCC(C)C)C[C@H](O)CO ZINC000085490919 KK Annotated Anodyne in-vitro biogenic C/C=C1\C[N+]2(C)CC[C@@]34c5ccccc5[N+]5=C[C-]6[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C\C)c7ccccc7[N+]7=C[C-]([C@H]1C[C@@H]32)[C@]54O[C@@]679 ZINC000085491721 KK Annotated Bother in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3Cc3ccc(C(C)C)cc3)n2)[C@H](O)C1 ZINC000085492166 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]cc(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@H](O)C1 ZINC000085492171 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(-c4ccccc4)c(-c4cc(O)cc(O)c4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000085492174 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492177 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@H](O)C1 ZINC000085492185 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)c(-c3cc(O)cc(O)c3Cc3ccccc3)n2)[C@H](O)C1 ZINC000085492187 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]c(-c5ccccc5)c(-c5cc(O)cc(O)c5)n4)[C@]3(O)C2)[C@H](O)C1 ZINC000085492195 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]c(-c5ccccc5)c(-c5cc(O)cc(O)c5)n4)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492212 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492221 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](C3(c4ccnc(N)c4)CCCC3)C[C@H]2Cc2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492229 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(-c3ccccc3)c(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492232 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085492236 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]cc(-c4cc(O)cc(O)c4)n3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000085492240 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]cc(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492243 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]cc(-c5cc(O)cc(O)c5)n4)[C@]3(O)C2)[C@H](O)C1 ZINC000085492262 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]cc(-c5cc(O)cc(O)c5)n4)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492267 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(Cc4ccc(O)cc4)cn3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000085492271 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085492272 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492274 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)c(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492276 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](C3(c4ccnc(N)c4)CCCC3)C[C@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492280 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(-c3cc(O)cc(O)c3)n2)[C@H](O)C1 ZINC000085492294 KK Annotated Anodyne in-vitro biogenic C=C(C)O[C@@H](C(=O)O[C@H]1C[C@H](O)[C@]2(C)[C@H](C[C@H]3C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C3(C)C)C1=C)[C@H](c1ccccc1)N(C)C ZINC000085492297 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]c(Cc3ccc(O)cc3)cn2)[C@@H](O)C1 ZINC000085492308 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]c(Cc5ccc(O)cc5)cn4)[C@]3(O)C2)[C@H](O)C1 ZINC000085492310 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]c(Cc5ccc(O)cc5)cn4)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492313 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(Cc3ccc(O)cc3)cn2)[C@H](O)C1 ZINC000085492330 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](C3(c4ccnc(N)c4)CCCC3)C[C@H]2Cc2[cH-]c(Cc3ccc(O)cc3)cn2)[C@H](O)C1 ZINC000085492340 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)c(-c3cccc(O)c3)n2)[C@H](O)C1 ZINC000085492344 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(Cc3ccc(O)cc3)cn2)[C@H](O)C1 ZINC000085492347 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000085492349 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)Cc3ccccc3)cn2)[C@H](O)C1 ZINC000085492362 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)C[C@H](C)C3CCC(=O)CC3)cn2)[C@H](O)C1 ZINC000085492367 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(Cc3cc(C)cc(C)c3)n2)[C@H](O)C1 ZINC000085492374 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(Cc3ccccc3)n2)[C@H](O)C1 ZINC000085492376 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)c3cnc(CC)[cH-]3)cn2)[C@H](O)C1 ZINC000085492380 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCC[C@H]2CC[C@@H](c3[cH-]c(CC)cn3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@H](O)C1 ZINC000085492383 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(-c3cccc(O)c3)n2)[C@H](O)C1 ZINC000085492384 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(-c3ccccc3)cn2)[C@H](O)C1 ZINC000085492396 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CN[C@@H](C)/C=C/c3ccccc3)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492402 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@H](CCCC[C@H]2CC[C@@H](c3[cH-]ccn3)[C@@H]3C[C@H](Cc4ccnc(N)c4)C[C@@]3(O)CC[C@H](O)[C@H]2C(=O)O)[C@@H](O)C1 ZINC000085492406 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@@H]2Cc2[cH-]c3c(n2)CC[C@H](C(C)C)[C@H]3C)[C@H](O)C1 ZINC000085492408 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]c([C@H](C)CC(C)C)cn2)[C@H](O)C1 ZINC000085492410 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@H]2CC2=Cc3cc4c(cc3=N2)N=CC=4)[C@H](O)C1 ZINC000085492414 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)CC(C)C)c(CCCO)n2)[C@H](O)C1 ZINC000085492424 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]c(CC)cn2)[C@H](O)C1 ZINC000085492428 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]c(CC)cn4)[C@]3(O)C2)[C@H](O)C1 ZINC000085492429 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CCC(C)C)cn2)[C@H](O)C1 ZINC000085492432 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CNCCCc3ccccc3)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492436 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)c(CCCO)n2)[C@H](O)C1 ZINC000085492442 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CN[C@H](C)CCc3ccccc3)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492448 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]c(CC)cn4)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492452 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)c(CCO)n2)[C@H](O)C1 ZINC000085492455 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)CC(C)C)cn2)[C@H](O)C1 ZINC000085492458 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)C[C@H](C)C3CCCCC3)cn2)[C@H](O)C1 ZINC000085492461 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@@]2(O)Cc2[cH-]ccn2)[C@H](O)C1 ZINC000085492462 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2[C@H](O)c2[cH-]ccn2)[C@H](O)C1 ZINC000085492464 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)C[C@@H](C)C3CCCC3)cn2)[C@H](O)C1 ZINC000085492467 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)CCc3ccccc3)cn2)[C@H](O)C1 ZINC000085492472 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2CC[C@@H]3[C@@H](Cc4ccnc(N)c4)C[C@H](Cc4[cH-]ccn4)[C@]3(O)C2)[C@H](O)C1 ZINC000085492476 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(CCCO)n2)[C@H](O)C1 ZINC000085492482 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)cn2)[C@H](O)C1 ZINC000085492483 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@@H](Cc4ccnc(N)c4)C[C@@H](Cc4[cH-]ccn4)[C@@]3(O)C2)[C@H](O)C1 ZINC000085492484 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(CCO)n2)[C@H](O)C1 ZINC000085492488 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c([C@H](C)CC(C)C)cn2)[C@H](O)C1 ZINC000085492492 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CNCCCC(=O)c3ccccc3)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492501 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](C3(c4ccnc(N)c4)CCCC3)C[C@H]2Cc2[cH-]c(CC)cn2)[C@H](O)C1 ZINC000085492503 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@H](Cc3ccnc(N)c3)C3(CCCC3)[C@H]2O)[C@H](O)C1 ZINC000085492505 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]ccn2)[C@H](O)C1 ZINC000085492508 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]c(CC)cn2)[C@H](O)C1 ZINC000085492512 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]cc(CCc3ccccc3)n2)[C@H](O)C1 ZINC000085492515 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](C3(c4ccnc(N)c4)CCCC3)C[C@H]2Cc2[cH-]ccn2)[C@H](O)C1 ZINC000085492530 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)[C@H]3CC[C@@H](c4ccnc(N)c4)[C@H]3C[C@H]2O)[C@H](O)C1 ZINC000085492537 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@H](Cc3ccnc(N)c3)C[C@H]2Cc2[cH-]ccn2)[C@H](O)C1 ZINC000085492547 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2CC[C@H]3[C@H](Cc4ccnc(N)c4)[C@@H](CNCC)C[C@@]3(O)C2)[C@H](O)C1 ZINC000085492554 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CN[C@H](C)Cc3cccc(O)c3)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492557 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2C=C[C@H]3[C@H](Cc4ccnc(N)c4)[C@@H](CNCC)C[C@]3(O)C2)[C@H](O)C1 ZINC000085492571 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2CC[C@H]3[C@H](Cc4ccnc(N)c4)CC[C@]3(O)C2)[C@H](O)C1 ZINC000085492576 KK Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](Cc2ccnc(N)c2)C[C@H]1Cc1[cH-]cc(-c2cccc(O)c2)n1 ZINC000085492583 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2C=C[C@H]3[C@H](Cc4ccnc(N)c4)CC[C@@]3(O)C2)[C@H](O)C1 ZINC000085492587 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](Cc3ccnc(N)c3)C3(CCCC3)C2)[C@H](O)C1 ZINC000085492593 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)CC[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492604 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CCCO)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492611 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CNC3(C)CCCC3)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492616 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CNCC)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492621 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)CC[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492627 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@@H]2CC[C@H]3[C@H](CC4=C[CH+]N=C4)CC[C@]3(O)C2)[C@H](O)C1 ZINC000085492634 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)[C@H]2C=C[C@H]3[C@H](CC4=C[CH+]N=C4)CC[C@@]3(O)C2)[C@H](O)C1 ZINC000085492639 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]2(O)C[C@@H](CC3=C[CH+]N=C3)C3(CCCC3)C2)[C@H](O)C1 ZINC000085492642 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@@H](C(=O)O)[C@@H](O)CC[C@@]2(O)C[C@@H](CN[C@@H](C)CCCCC)[C@H](Cc3ccnc(N)c3)C2)[C@H](O)C1 ZINC000085492648 KK Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(-c2cccc(O)c2Cc2ccccc2)n1 ZINC000085492651 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]2(O)CC[C@H](CC3=C[CH+]N=C3)C2)[C@H](O)C1 ZINC000085492653 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CCCO)[C@H](CC3=C[CH+]N=C3)C2)[C@H](O)C1 ZINC000085492658 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)CC[C@H](C3(C4=C[CH+]N=C4)CCCCC3)C2)[C@H](O)C1 ZINC000085492661 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)C[C@@H](CNCC)[C@H](CC3=C[CH+]N=C3)C2)[C@H](O)C1 ZINC000085492667 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)CCC[C@H]2Cc2[cH-]cc(-c3cccc(O)c3)n2)[C@H](O)C1 ZINC000085492670 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)CC[C@H](CC3=C[CH+]N=C3)C2)[C@H](O)C1 ZINC000085492674 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](Cc2ccnc(N)c2)C[C@H]1Cc1[cH-]ccn1 ZINC000085492679 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(-c2cc(O)cc(O)c2)n1 ZINC000085492683 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)[C@@H]1CC[C@H]2[C@H](Cc3ccnc(N)c3)CC[C@]2(O)C1 ZINC000085492690 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCC[C@H]1CC[C@H](c2[cH-]cc(-c3cccc(O)c3)n2)[C@@H]2CCC[C@@]2(O)CC[C@@H](O)[C@H]1C(=O)O ZINC000085492693 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](Cc2ccnc(N)c2)C2(CCCC2)C1 ZINC000085492696 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]1(O)CC[C@@H](Cc2ccnc(N)c2)C1 ZINC000085492701 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(-c2cc(O)cc(CCCO)c2)n1 ZINC000085492704 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CCCO)[C@H](Cc2ccnc(N)c2)C1 ZINC000085492705 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CNCC)[C@H](Cc2ccnc(N)c2)C1 ZINC000085492708 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CC2=C[CH+]N=C2)C[C@H]1Cc1[cH-]ccn1 ZINC000085492718 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]c(Cc2ccc(O)cc2)cn1 ZINC000085492723 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CC[C@@H](Cc2ccnc(N)c2)C1 ZINC000085492726 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1[C@H](O)c1[cH-]cc(-c2cccc(O)c2)n1 ZINC000085492730 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)[C@@H]1CC[C@H]2CC[C@@H](Cc3[cH-]cc(-c4cccc(O)c4)n3)[C@@]2(O)C1 ZINC000085492738 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)[C@H]1CC[C@H]2[C@H](CC3=C[CH+]N=C3)CC[C@@]2(O)C1 ZINC000085492743 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CC2=C[CH+]N=C2)C2(CCCC2)C1 ZINC000085492746 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]c2c(n1)-c1cccc(O)c1CC2 ZINC000085492751 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(-c2cccc(O)c2)n1 ZINC000085492752 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C=C[C@@H](CCCCC[C@H](C(=O)O)[C@H](O)CC[C@]2(O)CCC[C@H]2Cc2[cH-]ccn2)[C@H](O)C1 ZINC000085492756 KK Annotated Anodyne in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CCC2(CCCC2)[C@@H]1Cc1[cH-]cc(-c2cccc(O)c2)n1 ZINC000085492761 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@]1(O)CC[C@@H](CC2=C[CH+]N=C2)C1 ZINC000085492766 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(Cc2cc(C)cc(C)c2)n1 ZINC000085492770 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CCCO)[C@H](CC2=C[CH+]N=C2)C1 ZINC000085492774 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CCC[C@@H]1Cc1[cH-]cc(Cc2ccccc2)n1 ZINC000085492779 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CC[C@@H](C2(C3=C[CH+]N=C3)CCCCC2)C1 ZINC000085492785 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)C[C@@H](CNCC)[C@H](CC2=C[CH+]N=C2)C1 ZINC000085492790 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(-c2cccc(O)c2)n1 ZINC000085492801 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]c(-c2ccccc2)cn1 ZINC000085492811 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCC[C@@H]1CC[C@@H](c2[cH-]ccn2)[C@@H]2CCC[C@@]2(O)CC[C@H](O)[C@H]1C(=O)O ZINC000085492815 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1CC1=Cc2cc3c(cc2=N1)N=CC=3 ZINC000085492822 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]c(CCC(C)C)cn1 ZINC000085492837 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1[C@H](O)c1[cH-]ccn1 ZINC000085492853 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)[C@@H]1CC[C@H]2CC[C@@H](Cc3[cH-]ccn3)[C@@]2(O)C1 ZINC000085492877 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(CCCO)n1 ZINC000085492886 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(CCO)n1 ZINC000085492897 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]c(CC)cn1 ZINC000085492901 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CNC)[C@@]1(O)CCC[C@H]1Cc1[cH-]ccn1 ZINC000085492913 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CCC2(CCCC2)[C@@H]1Cc1[cH-]ccn1 ZINC000085492921 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@@]1(O)CCC[C@H]1Cc1[cH-]cc(CCc2ccccc2)n1 ZINC000085492936 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)CCCCCC[C@H](C(=O)O)[C@H](O)CC[C@]1(O)CC[C@@H](Cc2cccc(O)c2)C1 ZINC000085492952 KK Annotated Mild in-vitro biogenic COc1ccc(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000085493078 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)NCC3 ZINC000085493292 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(ccc(OC)c3Oc3c(OC)c(OC)cc4c3[C@@H](C2)[N+](C)(CCl)CC4)CC[N+]1(C)CCl ZINC000085493553 KK Annotated Reactive in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1C[C@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C ZINC000085493572 KK Annotated Mild in-vitro biogenic Oc1cc(O)cc(Oc2c(O)cc(O)c3c2Oc2c(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)c6c5Oc5c(O)cc(O)cc5O6)cc4O)cc2O3)c1 ZINC000085493573 KK Annotated Anodyne biogenic in-vivo COc1c(O)c(OC)c2c(O)c(-c3c(C)cc4c(C(C)C)c(OC)c(O)c(OC)c4c3O)c(C)cc2c1C(C)C ZINC000085493813 KK Annotated Anodyne in-vitro biogenic 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=C\[C@@H]1[C@@H](C)C(=O)[C@@H](O)CC1(C)C ZINC000085504524 KK Annotated Bother in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)C[C@@H](O)[C@@H]1CCN ZINC000085505416 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)CC[C@@H]1CCN ZINC000085505424 KK Annotated Reactive in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1[C@@H](O)C(=O)O ZINC000085505432 KK Annotated Reactive in-vitro biogenic NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@@H]1[C@@H](O)C(=O)O ZINC000085505436 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](C/C=C\[C@H](O)[C@H](O)C2CCCCC2)CC[C@@H]1CCN ZINC000085505443 KK Annotated Reactive in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O ZINC000085505451 KK Annotated Reactive in-vitro biogenic NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@@H]1CC(=O)O ZINC000085505454 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@@H](Cc2cccc(CO)c2)[C@H](C/C=C\[C@H](O)CC2CCCCC2)CC[C@H]1CCN ZINC000085505461 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@H](C/C=C\[C@H](O)CC1CCCCC1)C2 ZINC000085505463 KK Annotated Reactive in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O ZINC000085505474 KK Annotated Reactive in-vitro biogenic NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)[C@H](O)C3CCCCC3)C2)[C@@H]1CC(=O)O ZINC000085505478 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@@H](C/C=C\CCC2CCCCC2)CC[C@@H]1CCN ZINC000085505483 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@H](C/C=C\CCC1CCCCC1)C2 ZINC000085505486 KK Annotated Reactive in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)CC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O ZINC000085505500 KK Annotated Reactive in-vitro biogenic NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)CC3CCCCC3)C2)[C@@H]1CC(=O)O ZINC000085505504 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@@H](Cc2ccccc2)[C@H](C/C=C\[C@H](O)CC2CCCCC2)CC[C@H]1CCN ZINC000085505510 KK Annotated Reactive in-vitro biogenic NC[C@H]1C=C[C@H](C(=O)O)[C@@H]2[C@@H]1[C@@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1cccc(CO)c1)C=C[C@@H]2[C@@]1(c2ccccc2)CCC[C@H](Cc2cccc(O)c2)C1 ZINC000085505515 KK Annotated Anodyne in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\CCC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O ZINC000085505521 KK Annotated Reactive in-vitro biogenic NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\CCC3CCCCC3)C2)[C@@H]1CC(=O)O ZINC000085505525 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@@H](C/C=C\CCC2CCCCC2)CC[C@@H]1CCN ZINC000085505529 KK Annotated Reactive in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1ccccc1)[C@H](C/C=C\CCC1CCCCC1)C2 ZINC000085505531 KK Annotated Reactive in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)CC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O ZINC000085505542 KK Annotated Reactive in-vitro biogenic NC[C@H]1C=C[C@@H](C(=O)O)[C@H]2[C@@H]1[C@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)C=C[C@@H]2[C@@]1(c2ccccc2)CCC[C@H](Cc2cccc(O)c2)C1 ZINC000085505546 KK Annotated Anodyne in-vitro biogenic NC[C@H]1C=C[C@@H](C(=O)O)[C@H]2[C@@H]1[C@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1cccc(CO)c1)C=C[C@@H]2C1(c2ccccc2)CCCCC1 ZINC000085505548 KK Annotated Anodyne in-vitro biogenic NCC[C@@H]1CC[C@@H](C/C=C\CCC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O ZINC000085505552 KK Annotated Reactive in-vitro biogenic NC[C@H]1C=C[C@@H](C(=O)O)[C@@H]2[C@@H]1[C@H](C[C@@H](C/C=C\[C@H](O)CC1CCCCC1)CCc1ccccc1)C=C[C@H]2C1(c2ccccc2)CCCCC1 ZINC000085505562 KK Annotated Anodyne in-vitro biogenic NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3ccccc3)[C@H](C/C=C\CCC3CCCCC3)C2)[C@@H]1CC(=O)O ZINC000085505565 KK Annotated Reactive in-vitro biogenic NCC[C@H]1CC[C@@H](C/C=C\CCC2CCCCC2)C[C@@H](c2ccccc2)CC#C[C@H]2CCCC[C@@]2(c2ccccc2)C[C@H]1CC(=O)O ZINC000085505567 KK Annotated Mild in-vitro biogenic NCC[C@H]1[C@H]2C=C[C@H]([C@@H]1CC(=O)O)[C@]1(c3ccccc3)CCCC[C@H]1C#CC[C@@H](c1ccccc1)C[C@H](C/C=C\CCC1CCCCC1)C2 ZINC000085505571 KK Annotated Mild in-vitro biogenic NCC[C@@H]1[C@H](CC(=O)O)[C@@H]([C@@]2(c3ccccc3)CCC[C@@H](Cc3cccc(O)c3)C2)C=C[C@@H]1C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1 ZINC000085505573 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H](CCC/C=C\[C@H](O)CC2CCCCC2)C=C[C@H]1Cc1ccccc1 ZINC000085505578 KK Annotated Anodyne in-vitro biogenic NC[C@@H]1C=C[C@H](C(=O)O)[C@@H]2[C@@H]3C=C[C@@](C[C@@H](C/C=C\CCC4CCCCC4)CCc4ccccc4)(CC[C@@H]4CCCC[C@@]43c3ccccc3)[C@H]21 ZINC000085505583 KK Annotated Anodyne in-vitro biogenic NCC[C@H]1[C@@H](C[C@@H](C/C=C\CCC2CCCCC2)CCc2cccc(CO)c2)C=C[C@H](C2(c3ccccc3)CCCCC2)[C@@H]1CC(=O)O ZINC000085505586 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H]1[C@H](CCN)[C@H](C[C@@H](C/C=C\CCC2CCCCC2)CCc2ccccc2)C=C[C@H]1C1(c2ccccc2)CCCCC1 ZINC000085505590 KK Annotated Anodyne in-vitro biogenic NC[C@H]1C=C[C@@H](C(=O)O)[C@H]2[C@@H]1[C@@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)C=C[C@@H]2[C@]1(c2ccccc2)CCCC2(CCCC2)C1 ZINC000085505594 KK Annotated Anodyne in-vitro biogenic NC[C@@H]1C=C[C@@H](C(=O)O)[C@H]2[C@@H]1[C@@H](C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)C=C[C@@H]2C1(c2ccccc2)CCCCC1 ZINC000085505600 KK Annotated Anodyne in-vitro biogenic CNC[C@@]1(CCC/C=C\CCC2CCCCC2)C=C[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@H]1CCN ZINC000085505604 KK Annotated Anodyne in-vitro biogenic NCC[C@@H]1[C@H](C[C@@H](C/C=C\[C@H](O)CC2CCCCC2)CCc2ccccc2)C=C[C@@H](C2(c3ccccc3)CCCCC2)[C@H]1CC(=O)O ZINC000085505607 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H](CCC/C=C\CCC2CCCCC2)C=C[C@H]1C1(c2ccccc2)CCCCC1 ZINC000085505620 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H](CCN)[C@@H](CCC/C=C\CCC2CCCCC2)C=C[C@H]1C1(c2ccccc2)CCCC1 ZINC000085505623 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)[C@H](CC(=O)O)C[C@@]1(c2ccccc2)CCC[C@H](Cc2cccc(O)c2)C1 ZINC000085505631 KK Annotated Anodyne in-vitro biogenic NCC[C@@H]1[C@@H](CC(=O)O)[C@H]2C=C[C@]1(C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)CC[C@H]1CCCC[C@@]21c1ccccc1 ZINC000085505639 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\CCC1CCCCC1)CCc1cccc(CO)c1)[C@H](CC(=O)O)CC1(c2ccccc2)CCCCC1 ZINC000085505643 KK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\C[C@H](CCc1ccccc1)C[C@H]1CC[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@@H]1CCN ZINC000085505650 KK Annotated Mild in-vitro biogenic CC(C)CC[C@H](C/C=C\CCC1CCCCC1)C[C@H]1C=C[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@@H]1CCN ZINC000085505663 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H](CC1(c2ccccc2)CCCCC1)[C@H](CCN)CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1 ZINC000085505665 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H](CCc1ccccc1)[C@H](CCN)CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1 ZINC000085505673 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C/C=C\CCC1CCCCC1)C[C@@H]1C=C[C@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@@H]1CCN ZINC000085505677 KK Annotated Anodyne in-vitro biogenic NCC[C@@H]1[C@@H](C[C@@H](C/C=C\CCC2CCCCC2)CCc2ccccc2)C=C[C@H](C2(c3ccccc3)CCCCC2)[C@@H]1CC(=O)O ZINC000085505680 KK Annotated Anodyne in-vitro biogenic NCC[C@H]1[C@@H](C[C@@H](C/C=C\CCC2CCCCC2)CCc2ccccc2)CC[C@@H](C2(c3ccccc3)CCCCC2)[C@@H]1CC(=O)O ZINC000085505682 KK Annotated Anodyne in-vitro biogenic NCC[C@H]1[C@H](C[C@@H](C/C=C\CCC2CCCCC2)CCc2ccccc2)C=C[C@@H]([C@]2(c3ccccc3)CCCC3(CCCC3)C2)[C@@H]1CC(=O)O ZINC000085505692 KK Annotated Anodyne in-vitro biogenic NCC[C@@H]1[C@@H](CC(=O)O)[C@H](Cc2ccccc2)CC[C@@H]1C[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1 ZINC000085505696 KK Annotated Anodyne in-vitro biogenic NCC[C@H]1[C@H](C[C@@H](C/C=C\CCC2CCCCC2)CCc2ccccc2)C=C[C@H](Cc2ccccc2)[C@@H]1CC(=O)O ZINC000085505698 KK Annotated Anodyne in-vitro biogenic CNC[C@H](CCC/C=C\CCC1CCCCC1)[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505705 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\[C@H](O)CC1CCCCC1)CCc1ccccc1)[C@H](CC(=O)O)CC1(c2ccccc2)CCCCC1 ZINC000085505707 KK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@]1(CNC)CC[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@@H]1CCN ZINC000085505715 KK Annotated Mild in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H](CC1(c2ccccc2)CCCCC1)[C@H](CCN)CCCC/C=C\CCC1CCCCC1 ZINC000085505722 KK Annotated Anodyne in-vitro biogenic C[C@H](O)[C@H](C(=O)O)[C@H](CC1(c2ccccc2)CCCC1)[C@H](CCN)CCCC/C=C\CCC1CCCCC1 ZINC000085505724 KK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\CCC[C@H]1CC[C@@H](C2(c3ccccc3)CCCCC2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@@H]1CCN ZINC000085505736 KK Annotated Mild in-vitro biogenic CC(C)CC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505746 KK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\C[C@H](CCC(C)C)C[C@@H]1CC[C@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@H]1CCN ZINC000085505757 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@@H](CCc1ccccc1)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505762 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](C/C=C\CCC1CCCCC1)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505765 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)[C@H](CC(=O)O)CC1(c2ccccc2)CCCCC1 ZINC000085505768 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)[C@H](CC(=O)O)C[C@]1(c2ccccc2)CCCC2(CCCC2)C1 ZINC000085505774 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505778 KK Annotated Anodyne in-vitro biogenic NCC[C@H](CC[C@@H](C/C=C\CCC1CCCCC1)CCc1ccccc1)[C@H](CCc1ccccc1)CC(=O)O ZINC000085505782 KK Annotated Anodyne in-vitro biogenic CCCCCC/C=C\C[C@H](CCCCC)C[C@H]1CC[C@@H](Cc2ccccc2)[C@H]([C@H](C(=O)O)[C@H](C)O)[C@H]1CCN ZINC000085505783 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCC[C@H](CCN)[C@H](CC1(c2ccccc2)CCCCC1)[C@H](C(=O)O)[C@H](C)O ZINC000085505800 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCC(C)C)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505833 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCCCC)CC[C@H](CCN)[C@H](CCc1ccccc1)[C@H](C(=O)O)[C@H](C)O ZINC000085505847 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@@H](CCc1ccccc1)CC[C@H](CCN)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505851 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\CCCC[C@H](CCN)[C@H](CC(=O)O)C[C@]1(c2ccccc2)CCC2(CCCC2)C1 ZINC000085505877 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCC(C)C)CC[C@H](CCN)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505889 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCCCC)CC[C@H](CCN)[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1 ZINC000085505902 KK Annotated Mild in-vitro biogenic CCCCCC/C=C\C[C@H](CCC[C@H](CC(=O)O)CC1(c2ccccc2)CCCC1)CCc1ccccc1 ZINC000085505972 KK Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3cc[n+](C)c(c13)C2 ZINC000085506031 KK Annotated Anodyne in-vitro biogenic 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)C1=C2C(C)(C)C[C@H](O)C[C@@]2(C)OC1 ZINC000085506201 KK Annotated Bother in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC21CCCC1)C(=O)O ZINC000085506519 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC21CCCC1 ZINC000085506549 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)C[C@H]2CC)C(=O)O ZINC000085506555 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)c4c3-c3cccc(O)c3CCC4)cc12)C(=O)O ZINC000085506563 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC2)C(=O)O ZINC000085506564 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)c2c1-c1cccc(O)c1CCC2)C(=O)O ZINC000085506567 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)C[C@@H]2CC ZINC000085506571 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2ccc(-c3cc(O)c(O)c4c3-c3cccc(O)c3CCC4)cc12 ZINC000085506576 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC2 ZINC000085506583 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)c2c1-c1cccc(O)c1CCC2 ZINC000085506611 KK Annotated Clean in-vitro biogenic CCNCCC[C@@H]1CC(c2cc(O)c(O)c3c2-c2cccc(O)c2CCC3)=Cc2c(/C=C/C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c3cc(O)c(O)c(O)c3)cc(O)c(O)c21 ZINC000085506618 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)C[C@H]2CCCNC)C(=O)O ZINC000085506623 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC21CCCC1)C(=O)O ZINC000085506630 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)CC21CCCC1 ZINC000085506634 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)C[C@H]2CC)C(=O)O ZINC000085506644 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC2)C(=O)O ZINC000085506651 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)c4c3-c3cccc(O)c3CCC4)cc12)C(=O)O ZINC000085506658 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)c2c1-c1cccc(O)c1CCC2)C(=O)O ZINC000085506661 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1ccc(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)c3c1-c1cccc(O)c1CCC3)CC2 ZINC000085506665 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1ccc(O)c(O)c1)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)c2c1-c1cccc(O)c1CCC2 ZINC000085506669 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)C[C@H]2CC ZINC000085506676 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12)C(=O)O ZINC000085506685 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12 ZINC000085506693 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)CC2 ZINC000085506697 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1-c1cccc(O)c1 ZINC000085506700 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12)C(=O)O ZINC000085506712 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)CC2)C(=O)O ZINC000085506717 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1ccc(O)c(O)c1)c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12 ZINC000085506722 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1ccc(O)c(O)c1)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1-c1cccc(O)c1 ZINC000085506725 KK Annotated Clean in-vitro biogenic CNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12)C(=O)O ZINC000085506737 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNC)c1ccc(O)c(O)c1)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1-c1cccc(O)c1 ZINC000085506745 KK Annotated Clean in-vitro biogenic O=C(/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)c4c3-c3cccc(O)c3CCC4)cc12)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O ZINC000085506748 KK Annotated Clean in-vitro biogenic O=C(/C=C/c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12)O[C@H](Cc1cc(O)c(O)c(O)c1)C(=O)O ZINC000085506757 KK Annotated Clean in-vitro biogenic O=C(/C=C/c1cc(O)c(O)c2c1C=C(c1cc(O)c(O)cc1-c1cccc(O)c1)CC2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O ZINC000085506772 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cc(O)c(O)c2ccc(-c3cc(O)c(O)cc3-c3cccc(O)c3)cc12 ZINC000085506776 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1-c1cccc(O)c1 ZINC000085506781 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@@H](C(=O)O)[C@H](CNCC)c1ccc(O)c(O)c1)c1cc(O)c(O)cc1/C=C/c1ccc(O)c(O)c1 ZINC000085506811 KK Annotated Clean in-vitro biogenic CCNC[C@@H](c1ccc(O)c(O)c1)[C@@H](OC(=O)/C=C/c1cc(O)c(O)c(CCC(C)C)c1/C=C/c1ccc(O)c(O)c1)C(=O)O ZINC000085506815 KK Annotated Clean in-vitro biogenic CCCCC/C(=C\C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)c1cc(O)c(O)cc1/C=C/c1cc(O)c(O)cc1CCCO ZINC000085506854 KK Annotated Clean in-vitro biogenic CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1cc(OC)c2c(c1C=O)O[C@](C)(CC(=O)C=C(C)C)CC2 ZINC000085508033 KK Annotated Mild in-vitro biogenic C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000085508527 KK Annotated Mild COc1cc2c3c4c1OCc1cc(ccc1O4)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C ZINC000085508975 KK Annotated Anodyne in-vitro biogenic COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C ZINC000085509425 KK Annotated Anodyne in-vitro biogenic NCCOc1ccc(/C=C/C(=O)CO[C@@]2(C(=O)O)C[C@@H](O)[C@H]3OC[C@@H](CCc4ccccc4)C[C@@H](C(=O)/C=C/c4ccc(O)c(O)c4)O[C@]3(CNC3CCCCC3)C2)cc1O ZINC000085509491 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](Nc2[cH-]ccn2)[C@H]2CC[C@@H]3C[C@H]2[C@@H](CCC[C@@H](N)CC[C@H](C=O)CCCO)c2cc4cc(CC=O)ccc4cc23)CCN1 ZINC000085509900 KK Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CC[C@@H]1C=C[C@H]2[C@@H]3CC[C@H]([C@@H](Nc4[cH-]ccn4)/C(=C/C(=O)O)CN=C(N)N)[C@H]2[C@H]1c1cc2cc(CC=O)ccc2cc13 ZINC000085509913 KK Annotated Mild in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](C[C@@H]2[C@@H]3c4cc5cc(CC=O)ccc5cc4C[C@H]2C=C[C@@H]3CCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)C[C@H](CO)N1 ZINC000085509921 KK Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@H]1CCNC(N)=N1 ZINC000085509945 KK Annotated Mild in-vitro biogenic C[C@H](C=O)CC[C@H](N)CCC[C@H]1c2cc3cc(CC=O)ccc3cc2[C@@H]2CC[C@@H]([C@@H](Nc3[cH-]ccn3)/C(=C/C(=O)O)CN=C(N)N)[C@H]1C2 ZINC000085509960 KK Annotated Mild in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](C[C@H]2CCc3cc4ccc(CC=O)cc4cc3[C@@H]2CCCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)C[C@H](CO)N1 ZINC000085509961 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](Nc2[cH-]ccn2)[C@H]2CC[C@@H]3c4cc5ccc(CC=O)cc5cc4[C@H]4[C@H](CCCCC[C@H](C=O)CCCO)C=C[C@@H]3[C@H]42)CCN1 ZINC000085509974 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@@H]2[C@@H]3c4cc5cc(CC=O)ccc5cc4C[C@H]2C=C[C@@H]3CCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085509982 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@@H](C[C@@H]1C=Cc2cc3ccc(CC=O)cc3cc2[C@H]1CCC[C@H](N)CCCCCCO)Nc1[cH-]ccn1 ZINC000085509989 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CC[C@H]1C=C[C@@H]2Cc3cc4ccc(CC=O)cc4cc3[C@H]1[C@H]2C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085509998 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](Nc2[cH-]ccn2)[C@@H]2CC[C@@H]3C[C@H]2[C@@H](CCCCCC[C@H](C=O)CCCO)c2cc4cc(CC=O)ccc4cc23)CCN1 ZINC000085510003 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@H]1CCNC(N)=N1 ZINC000085510004 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@@H]2C=Cc3cc4ccc(CC=O)cc4cc3[C@H]2CCCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085510008 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@H]2CCc3cc4ccc(CC=O)cc4cc3[C@@H]2CCCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085510009 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H]1c2cc3cc(CC=O)ccc3cc2[C@@H]2CC[C@@H]([C@@H](Nc3[cH-]ccn3)/C(=C/C(=O)O)CN=C(N)N)[C@H]1C2 ZINC000085510021 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510022 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H]1c2cc3cc(CC=O)ccc3cc2CC[C@@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510029 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@@H](C[C@@H]1C=Cc2cc3ccccc3cc2[C@H]1CCC[C@H](N)CCCCCCO)Nc1[cH-]ccn1 ZINC000085510042 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@@H](C[C@H]1CCc2cc3ccccc3cc2[C@@H]1CCC[C@H](N)CCCCCCO)Nc1[cH-]ccn1 ZINC000085510045 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CC[C@@H]1C=C[C@@H]2Cc3cc4ccccc4cc3[C@H]1[C@@H]2C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510046 KK Annotated Mild in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCC[C@H](C=O)CCCO)c2ccc3ccc(CC=O)cc3c2)Nc2[cH-]ccn2)C[C@H](CO)N1 ZINC000085510049 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@H]1CCNC(N)=N1 ZINC000085510054 KK Annotated Anodyne in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](C[C@H]2C=Cc3cc4ccccc4cc3[C@@H]2CCCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085510059 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@H]2CCc3cc4ccccc4cc3[C@@H]2CCCCCC[C@H](C=O)CCCO)Nc2[cH-]ccn2)CCN1 ZINC000085510063 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H]1c2cc3ccccc3cc2[C@@H]2CC[C@@H]([C@@H](Nc3[cH-]ccn3)/C(=C/C(=O)O)CN=C(N)N)[C@H]1C2 ZINC000085510073 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510078 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H]1c2cc3ccccc3cc2CC[C@@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510083 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCC[C@H](C=O)CCCO)c2ccc3ccc(CC=O)cc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510086 KK Annotated Mild in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCC[C@H](C=O)CCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)C[C@H](CO)N1 ZINC000085510090 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@@H]1c2cc3cc(CC=O)ccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510091 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@@H]1c2cc3cc(CC=O)ccc3cc2CC[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510096 KK Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N+](C)([O-])[C@H]5C2)CCN1C ZINC000085510100 KK Annotated Bother in-vitro biogenic C[C@H](C=O)CCCCCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510108 KK Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCCC[C@H]1c2cc3ccccc3cc2CC[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510113 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@@H]2C=Cc3cc4ccccc4cc3[C@H]2CCCCCCCCCCO)Nc2[cH-]ccn2)CCN1 ZINC000085510117 KK Annotated Anodyne in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](C[C@H]2CCc3cc4ccccc4cc3[C@@H]2CCCCCCCCCCO)Nc2[cH-]ccn2)CCN1 ZINC000085510119 KK Annotated Anodyne in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@@H](CC[C@@H](CCC[C@H](N)CCCCCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510132 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](O)CCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510142 KK Annotated Mild in-vitro biogenic CCCC[C@H](O)CCC[C@H]1c2cc3ccccc3cc2CC[C@@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510145 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](C[C@@H]1C=Cc2cc3ccccc3cc2[C@H]1CCCCCCCCCCO)Nc1[cH-]ccn1 ZINC000085510150 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](C[C@H]1CCc2cc3ccccc3cc2[C@@H]1CCCCCCCCCCO)Nc1[cH-]ccn1 ZINC000085510152 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@@H](CC[C@@H](CCC[C@H](N)CCCCCCO)c1ccc2ccccc2c1)Nc1[cH-]ccn1 ZINC000085510156 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H]1C=C[C@@H]2Cc3cc4ccccc4cc3[C@H]1[C@H]2C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510157 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@H]1CCNC(N)=N1 ZINC000085510161 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCCCCCCO)c2ccc3ccc(CC=O)cc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510164 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCC[C@H](C=O)CCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510167 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H]1c2cc3ccccc3cc2[C@@H]2CC[C@@H]([C@@H](Nc3[cH-]ccn3)/C(=C/C(=O)O)CN=C(N)N)[C@H]1C2 ZINC000085510174 KK Annotated Mild in-vitro biogenic NC1=N[C@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCCCCCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)C[C@H](CO)N1 ZINC000085510178 KK Annotated Anodyne in-vitro biogenic CCCCCCCC[C@@H]1c2cc3ccccc3cc2C=C[C@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510181 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H]1c2cc3ccccc3cc2CC[C@@H]1C[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510185 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)c1ccc2ccccc2c1 ZINC000085510187 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCC[C@H](O)CCCCCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510189 KK Annotated Anodyne in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCCCCCCO)c1ccc2ccc(CC=O)cc2c1)Nc1[cH-]ccn1 ZINC000085510196 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCC[C@H](C=O)CCCO)c1ccc2ccccc2c1)Nc1[cH-]ccn1 ZINC000085510201 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](CC[C@H](CCC[C@H](O)CCCCCCO)c1ccc2ccccc2c1)Nc1[cH-]ccn1 ZINC000085510204 KK Annotated Mild in-vitro biogenic NC(N)=N[C@@H](CCO)/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCCCCCCO)c1ccc2ccccc2c1)Nc1[cH-]ccn1 ZINC000085510205 KK Annotated Mild in-vitro biogenic C[C@H](C=O)CCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)c1ccc2ccccc2c1 ZINC000085510207 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)c1ccc2ccc(CC=O)cc2c1 ZINC000085510210 KK Annotated Mild in-vitro biogenic NC1=N[C@@H](/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCCCCCCO)c2ccc3ccccc3c2)Nc2[cH-]ccn2)CCN1 ZINC000085510214 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](O)CCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)c1ccc2ccccc2c1 ZINC000085510215 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](CC[C@H](CCCCCCCCCCO)c1ccc2ccccc2c1)Nc1[cH-]ccn1 ZINC000085510218 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@H]1CCNC(N)=N1)c1ccc2ccccc2c1 ZINC000085510226 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)c1ccc2ccccc2c1 ZINC000085510232 KK Annotated Mild in-vitro biogenic CCCC[C@H](N)CCC[C@H](/C=C/c1ccccc1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@@H]1CCNC(N)=N1 ZINC000085510236 KK Annotated Anodyne in-vitro biogenic C[C@H](C=O)CCCCCC[C@H](/C=C/c1ccccc1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510250 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](/C=C/c1cccc(CC=O)c1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N ZINC000085510251 KK Annotated Mild in-vitro biogenic NC(N)=NC/C(=C\C(=O)O)[C@H](CC[C@H](/C=C/c1ccccc1)CCCCCCCCCCO)Nc1[cH-]ccn1 ZINC000085510260 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](/C=C/c1ccccc1)CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)[C@@H]1CCNC(N)=N1 ZINC000085510267 KK Annotated Mild in-vitro biogenic CCCCCCCC[C@H](CC[C@@H](Nc1[cH-]ccn1)/C(=C/C(=O)O)CN=C(N)N)Cc1cccc(C#N)c1 ZINC000085510292 KK Annotated Mild in-vitro biogenic C[C@@H]1N[C@H](CCCCCCCCCCCC2=C[C@@H](CCCCCCCCC[C@@H]3CC[C@H](O)[C@H](C)N3)[C@@H]3CCCN3C2)CC[C@@H]1O ZINC000085510384 KK Annotated Anodyne in-vitro biogenic CNC[C@](/C=C/C(=O)O)(CCC[C@H](CCCCC[C@@H](C)C=O)Cc1ccc(O)cc1)Cc1cccc(O)c1 ZINC000085510440 KK Annotated Mild in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085510938 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511017 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511037 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511042 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511062 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511096 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511119 KK Annotated Reactive in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(C[C@H]5C6=C(CC=C6[C@]6(CCCO)COC[C@H]7CCC[C@H]5[C@H]76)CO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511137 KK Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511143 KK Annotated Reactive in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5CCC[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511149 KK Annotated Reactive in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H](C)[C@@H]5CCOC[C@@]5(CCCO)CSSCO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511192 KK Annotated Reactive in-vitro biogenic CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O ZINC000085511197 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511240 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCCO)COC[C@@H]7CCC[C@@H]5[C@H]76)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511246 KK Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511259 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCO)COC[C@@H]7CCC[C@@H]5[C@H]76)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511265 KK Annotated Anodyne in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511269 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511294 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@]6(CCCO)COCC[C@H]6[C@@H]5C)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511298 KK Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCO)CSSCO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511320 KK Annotated Reactive in-vitro biogenic Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O ZINC000085511352 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@H](CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511365 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(C[C@@H]5C6=C(CC=C6[C@H]6COC[C@H]7CCC[C@@H]5[C@H]76)CO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511372 KK Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 ZINC000085511400 KK Annotated Reactive in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@](O)(CCC(C)C)[C@H](O)[C@H]3O)c2c(O)c1C(=O)C[C@@H]1CC[C@@H](Cc2ccccc2)c2ccccc21 ZINC000085511475 KK Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](C4(O)CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)C[C@@H]1CC[C@@H](Cc2ccccc2)c2ccccc21 ZINC000085511481 KK Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@](O)(CCC(C)C)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1 ZINC000085511593 KK Annotated Anodyne in-vitro biogenic Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](C4(O)CCCCC4)[C@@H](O)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1CCc1ccccc1 ZINC000085511597 KK Annotated Anodyne in-vitro biogenic 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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000085511645 KK Annotated Bother in-vitro biogenic CC(/C=C\C=C(/C)CC/C=C(/C)CO)=C/C=C\C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CO ZINC000085511760 KK Annotated Bother in-vitro biogenic 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=C(\C)CC/C=C(\C)CO ZINC000085511794 KK Annotated Bother in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)C[C@H]3CCC[C@H](C[C@H](OC(C)=O)CC2)N31 ZINC000085511844 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000085511857 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1OC)[C@H]1C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3CCC[C@@H](C[C@H](OC(C)=O)CC2)N31 ZINC000085511861 KK Annotated Anodyne in-vitro biogenic C=CCc1ccc(O)c(-c2cc([C@H](O)[C@H](O)COc3ccc(CC=C)cc3-c3cc(CC=C)ccc3O)ccc2O)c1 ZINC000085511933 KK Annotated Mild in-vitro biogenic C=CCc1ccc(Oc2c(O)c(O)cc(CC=C)c2C[C@@H](O)[C@@H](O)c2cc(O)c(O)c(Oc3cccc(/C=C\C)c3)c2)cc1 ZINC000085511935 KK Annotated Mild in-vitro biogenic C=CCc1ccc(Oc2cc(CC=C)c3c(c2O)O[C@@H](CO)[C@H]3c2ccc(O)c(-c3cc(CC)ccc3O)c2)cc1 ZINC000085511938 KK Annotated Mild in-vitro biogenic C=CCc1ccc(O)c(-c2cc(O)cc3c2O[C@H](c2ccc(O)c(-c4cc(CC=C)ccc4O)c2C)[C@H]3CO)c1 ZINC000085511943 KK Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c4c3Oc3c(cc5c(c3OC)C(=NCC5)C2)O4)CCN1C ZINC000085529923 KK Annotated Anodyne in-vitro biogenic C/C=C/CCCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@@H](CC)OC)C(C)=O ZINC000085529956 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(C=O)c2c(O)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O)c(C)cc2c1C(C)C ZINC000085529975 KK Annotated Clean in-vitro biogenic COc1ccc(C)cc1Oc1ccc(C[C@H]2c3c(ccc4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CCN2C)cc1 ZINC000085530164 KK Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCCC2)[C@@H]3CC[C@@]2(C)[C@H](C3=C[CH+][O+]=C3CCC3CCC(C4=NC=N[CH+]4)CC3)OC(=O)[C@H]3O[C@]321 ZINC000085530218 KK Annotated Mild in-vitro biogenic CC1(C)O[C@H]2C3(CCCC3)C(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCCC2)[C@@H]3CC[C@@]2(C)[C@H](C3=C[CH+][O+]=C3CCCCCCC3=NC=N[CH+]3)OC(=O)[C@H]3O[C@]321 ZINC000085530255 KK Annotated Mild in-vitro biogenic CC1(C)O[C@H]2C3(CCCC3)C(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCC2)[C@@H]3CC[C@@]2(C)[C@H](C3=C[CH+][O+]=C3CCCCCCC3=NC=N[CH+]3)OC(=O)[C@H]3O[C@]321 ZINC000085530257 KK Annotated Mild in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000085530353 KK Annotated Bother in-vitro biogenic CC1(C)O[C@H]2C3(CCCC3)C(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3CCCCCCCCO)OC(=O)[C@H]3O[C@]321 ZINC000085530364 KK Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCCC2)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3CCCCCCCO)OC(=O)[C@H]3O[C@]321 ZINC000085530397 KK Annotated Anodyne in-vitro biogenic CC1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCCC2)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3CCCCCCCCO)OC(=O)[C@H]3O[C@]321 ZINC000085530402 KK Annotated Anodyne in-vitro biogenic CCCCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3C4(CCCC4)C(=O)OC[C@@]231 ZINC000085530414 KK Annotated Mild in-vitro biogenic CCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3C4(CCCC4)C(=O)OC[C@@]231 ZINC000085530417 KK Annotated Anodyne in-vitro biogenic CCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@]32CC=C[C@@]3(C(=O)[C@H]2O)C(C)(C)O[C@H]2C4(CCCC4)C(=O)OC[C@@]213 ZINC000085530418 KK Annotated Anodyne in-vitro biogenic CCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C2CCCCC2)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3C4(CCCC4)C(=O)OC[C@@]231 ZINC000085530438 KK Annotated Anodyne in-vitro biogenic CCCCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C2CCCCC2)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]321 ZINC000085530450 KK Annotated Mild in-vitro biogenic CCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C2CCCC2)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3C4(CCCC4)C(=O)OC[C@@]231 ZINC000085530455 KK Annotated Anodyne in-vitro biogenic CCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C2CCCCC2)[C@H](O)C(=O)[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@]321 ZINC000085530463 KK Annotated Anodyne in-vitro biogenic CCCCCc1occc1[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@H]1[C@@]3(C)[C@H](O)C(=O)[C@@H]2[C@](C)(CCC(C)C)O[C@H]3CC(=O)OC[C@]321 ZINC000085530500 KK Annotated Anodyne in-vitro biogenic CC(C)CC[C@]1(C)O[C@H]2CC(=O)OC[C@@]23[C@@H]1C(=O)[C@@H](O)[C@]1(C2CCCCC2)[C@@H]3CC[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]321 ZINC000085530518 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@]35CO ZINC000085530650 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@H](O)[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)CO2 ZINC000085530662 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@]67CCC[C@@]4(CC[C@@]1(CO2)[C@@H]35)[C@@]6(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]17 ZINC000085530674 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@]67CC=C[C@@]4(CC[C@@]1(CO2)[C@@H]35)[C@@]6(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]17 ZINC000085530680 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@H](O)[C@H]3[C@]4(C)CC[C@]56CCC[C@@]4(CC[C@@]31CO2)[C@@]5(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]16 ZINC000085530684 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@H](O)[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31[C@H](Cc1ccccc1)O2 ZINC000085530687 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@]34C=CC[C@@]56[C@H](CC3)C[C@@]3(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]3(C)[C@H]5CC[C@@]1(CO2)[C@@]46CO ZINC000085530688 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@H](O)[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)[C@H](Cc1ccccc1)O2 ZINC000085530692 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1(CO2)[C@]3(CO)[C@]45C ZINC000085530696 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]34CC=C[C@@]5(O)C[C@]6(O)OC[C@@](CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)([C@H]6CCC)[C@@]54CO ZINC000085530699 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@H]35 ZINC000085530702 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(C[C@H](O)[C@]43CO)[C@@H]5CCC)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12 ZINC000085530704 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@]35CO ZINC000085530707 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)CC[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)[C@H](Cc1ccccc1)O2 ZINC000085530709 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@]56CCC[C@@]7(CC[C@@]1(CO2)[C@@H]3[C@]47C)[C@@]5(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]16 ZINC000085530712 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@H](O)[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31CO2 ZINC000085530720 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H](O)[C@H]3[C@]4(C)CC[C@]56CCC[C@@]4(CC[C@@]31[C@H](Cc1ccccc1)O2)[C@@]5(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]16 ZINC000085530722 KK Annotated Anodyne in-vitro biogenic COCCc1ccc(C[C@@H]2O[C@@]3(O)CC[C@H]4[C@]5(C)CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]5CC[C@@]24[C@H]3C)cc1 ZINC000085530729 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@H]3C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@]35CO ZINC000085530732 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@]34C=CC[C@]56[C@H]3[C@@]1(CC[C@@H]5[C@@]1(C)CC[C@@]3(C)CC[C@@](C)(C(=O)O)C[C@H]3[C@]1(C)C[C@H]6CC4)CO2 ZINC000085530735 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@]67CCC[C@@]4(CC[C@@]1(CO2)[C@@H]35)[C@@]6(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]17 ZINC000085530737 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12C[C@@H]3CC[C@H]4C[C@]5(O)OC[C@@]6(CC[C@H]([C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@]3(C)[C@]46CO)[C@H]5CCC ZINC000085530741 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(C)CC3 ZINC000085530743 KK Annotated Bother in-vitro biogenic CCC[C@H]1[C@]2(O)CC[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)CO2 ZINC000085530744 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1(CO2)[C@@H]3[C@]45C ZINC000085530746 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H]2N(C)CC3 ZINC000085530748 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@]34C=CC[C@@]56[C@H](CC3)C[C@@]3(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]3(C)[C@H]5CC[C@@]1(CO2)[C@@]46CO ZINC000085530749 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@H](O)[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31[C@@H](Cc1ccccc1)O2 ZINC000085530752 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]34CC=C[C@@]5(O)C[C@]6(O)OC[C@](CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)([C@@H]54)[C@H]6CCC ZINC000085530754 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1(CO2)[C@]3(CO)[C@]45C ZINC000085530756 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@@]3(C)[C@@H]4[C@@H](O)C[C@]5(O)OC[C@@]4(CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5CCC ZINC000085530758 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(C[C@@H](O)[C@]43CO)[C@@H]5C)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12 ZINC000085530761 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31[C@H](Cc1ccccc1)O2 ZINC000085530762 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)CC[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)[C@H](Cc1ccccc1)O2 ZINC000085530770 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@]3(O)C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@H]35 ZINC000085530771 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H]3CC[C@H]4C[C@]56CCC[C@@]7(CC[C@@]1(CO2)[C@@H]3[C@]47C)[C@@]5(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]16 ZINC000085530774 KK Annotated Anodyne in-vitro biogenic 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=C=C=C=C=C=C=C=C=C=C=C=C=C(C)C[C@@H](C)CCC(=O)CCC ZINC000085530776 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H]3CC[C@@H]4C[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]5CC[C@@]1([C@H](Cc1ccccc1)O2)[C@@H]3[C@@]54C ZINC000085530783 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(CC[C@]43CO)[C@@H]5CCC)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12 ZINC000085530784 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1CC#C[C@]23CC[C@@]45CO[C@@](O)(CC[C@H]4[C@]2(C)CC[C@@]2(CC1)[C@@H]1C[C@](C)(C(=O)O)CC[C@]1(C)CC[C@@]23C)[C@@H]5C ZINC000085530789 KK Annotated Mild in-vitro biogenic CCC[C@H]1[C@]2(O)C[C@@H]3C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@H]35 ZINC000085530793 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12C[C@@H]3CC[C@@H]4C[C@]5(O)OC[C@@]6(CC[C@@H]([C@]3(C)[C@H]46)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5CCC ZINC000085530795 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@H]3C=CC[C@@]45CC[C@@]6(C)[C@@H]7C[C@](C)(C(=O)O)CC[C@]7(C)CC[C@]6(C)[C@H]4CC[C@@]1(CO2)[C@@]35CO ZINC000085530796 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]34CCC[C@@]1(CC[C@@]15CO[C@@](O)(C[C@H](O)[C@@H]21)[C@@H]5CCC)[C@@]3(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]14 ZINC000085530801 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@]2(O)CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31CO2 ZINC000085530803 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@@]34C=CC[C@]56[C@H]3[C@@]1(CC[C@@H]5[C@@]1(C)CC[C@@]3(C)CC[C@@](C)(C(=O)O)C[C@H]3[C@]1(C)C[C@H]6CC4)CO2 ZINC000085530811 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12C[C@@H]3CC[C@@H]4C[C@]5(O)OC[C@@]6(CC[C@H]([C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@]3(C)[C@]46CO)[C@H]5C ZINC000085530812 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)CC[C@]3(CO)[C@@]1(CC[C@@H]1[C@@]4(C)CC[C@@]5(C)CC[C@@](C)(C(=O)O)C[C@H]5[C@]4(C)CC[C@]13C)CO2 ZINC000085530814 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)C[C@H]3C=CC[C@@]45CC[C@]67CC=C[C@@]4(CC[C@@]1(CO2)[C@@H]35)[C@@]6(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]17 ZINC000085530826 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@@]3(C)[C@@H]4[C@H](O)C[C@]5(O)OC[C@@]4(CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5C ZINC000085530828 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)CC[C@H]3[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31[C@H](Cc1ccccc1)O2 ZINC000085530829 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@@]3(C)[C@@H]4CC[C@]5(O)OC[C@@]4(CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5CCC ZINC000085530831 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]3(C)[C@H](CC[C@@]45CO[C@@](O)(CC[C@]43CO)[C@@H]5C)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12 ZINC000085530834 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12C[C@@H]3CC[C@H]4C[C@]5(O)OC[C@@]6(CC[C@@H]([C@]3(C)[C@H]46)[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5C ZINC000085530837 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]34CCC[C@@]1(CC[C@@]15CO[C@@](O)(C[C@H](O)[C@@H]21)[C@@H]5C)[C@@]3(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]14 ZINC000085530839 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@]34CC=C[C@H]5C[C@]6(O)OC[C@](CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)([C@@H]54)[C@H]6C ZINC000085530843 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)CC[C@H]3[C@]4(C)CC[C@@]5(CCCCCC6CCCCC6)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31CO2 ZINC000085530844 KK Annotated Anodyne in-vitro biogenic C[C@H]1[C@]2(O)CC[C@H]3[C@]4(C)CC[C@@]5(CCCCCC6CCCC6)[C@@H]6C[C@](C)(C(=O)O)CC[C@]6(C)CC[C@]5(C)[C@H]4CC[C@@]31CO2 ZINC000085530846 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@@]3(C)[C@@H]4CC[C@]5(O)OC[C@@]4(CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5C ZINC000085530847 KK Annotated Anodyne in-vitro biogenic CCCCCC[C@@]12CC[C@@]3(CCCCCC)[C@@H]4CC[C@]5(O)OC[C@@]4(CC[C@@H]3[C@@]1(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]12)[C@H]5C ZINC000085530849 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@H](C(=O)c4ccc5c(c4O)CCC(C)(C)O5)[C@@H]3c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000085530899 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](c2c(O)ccc3c(=O)c(CCC(C)(C)O)c(-c4ccc(O)cc4O)oc23)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](Oc2ccc(O)cc2O)C1 ZINC000085530901 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H]2c3c(O)cc([C@@H]4Cc5ccc(O)cc5O4)cc3O[C@@]3(Cc4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@H]23 ZINC000085530915 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H]2c3c(O)cc([C@@H]4Cc5ccc(O)cc5O4)cc3O[C@@]3(Cc4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000085530916 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H]2c3c(O)cc([C@@H]4Cc5ccc(O)cc5O4)cc3O[C@@]3(Cc4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000085530919 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H]2c3c(O)cc([C@@H]4Cc5ccc(O)cc5O4)cc3O[C@@]3(Cc4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@@H]23 ZINC000085530921 KK Annotated Anodyne in-vitro biogenic CC1=C[C@@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000085530924 KK Annotated Anodyne in-vitro biogenic CC(/C=C\C=C(C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000085530988 KK Annotated Bother in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@@H](COC(C)=O)[C@]1(C)C1=C(C)[C@H](c4ccoc4)C[C@@H]1OC(C)=O)[C@@H]23 ZINC000085530998 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](OC(=O)/C=C/c4ccccc4)[C@@]4(C)C5=CC[C@@H](c6ccoc6)[C@]5(C)CC[C@H]4[C@]1(C)[C@@H]32 ZINC000085531004 KK Annotated Anodyne COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531025 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531032 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531037 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531039 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531044 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531046 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531051 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531052 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1c(cc3c(c1OC)C(=NCC3)C2)O4 ZINC000085531053 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531055 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531058 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531062 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531064 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000085531067 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531068 KK Annotated Anodyne in-vitro biogenic C[C@@H]1CC[C@@H](c2ccoc2)N2[C@H]1CC[C@]1(C[C@@]3(CC[C@H]4[C@H](C)CC[C@@H](c5ccoc5)N4[C@@H]3O)CS1)[C@@H]2O ZINC000085531073 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000085531076 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531079 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)CC[C@@H]2c2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531080 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)C[C@H]5O)OC(C)(C)[C@H]2OC1=O ZINC000085531085 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531087 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531089 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531091 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000085531092 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531095 KK Annotated Anodyne in-vitro biogenic CCNCC[C@]1(C)CCc2c1c(=O)oc1c3c(ccc21)OC(C)(C)[C@H]1OC(=O)C(=C(C)C)CCc2ccc(cc2)C[C@H](CCc2cccc(Cc4ccccc4)c2)CC(=O)O[C@H]31 ZINC000085531099 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531101 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531103 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531106 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531111 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531116 KK Annotated Anodyne in-vitro biogenic CCNCC[C@@H](C)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531118 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531122 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4cccc(Cc5ccccc5)c4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531126 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531136 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531140 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)/C(=C(/C)CO)CC4 ZINC000085531146 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531149 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc(CCOCO)c(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531153 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)OC(C)(C)[C@H]2OC1=O ZINC000085531154 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c6c(c(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O)C(C)(C)CC6 ZINC000085531156 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531160 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531161 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CC/C(=C(\C)CO)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531165 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531169 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531172 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)c(C(C)C)c(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531174 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)cc(=O)oc5c4[C@@H](OC(=O)C[C@H]4C[C@@H](c5cccc(Cc6ccccc6)c5)CC[C@H]34)[C@@H]2OC1=O ZINC000085531180 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531184 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531185 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531192 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000085531196 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531198 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531200 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531203 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531205 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531209 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531210 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531213 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531217 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531220 KK Annotated Anodyne in-vitro biogenic CCNCC[C@@H](C)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2cccc(Cc4ccccc4)c2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531222 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531224 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531225 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531227 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)cc(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531229 KK Annotated Mild in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531231 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)[C@@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531233 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531234 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531238 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5cc(C(C)C)c(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531240 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531244 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531248 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531250 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531253 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531258 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531260 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531262 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531270 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531271 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2CC[C@H](c3cccc(Cc4ccccc4)c3)C[C@@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531274 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531275 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531279 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531281 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531283 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000085531285 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3ccccc3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531289 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531290 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531292 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531295 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531298 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000085531300 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531302 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531303 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531305 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531306 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531308 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531311 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531315 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCCC3)[C@H]2OC1=O ZINC000085531319 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCCC4)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531321 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@H]2CC[C@@H](c3cccc(Cc4ccccc4)c3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000085531323 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(C3CCCC3)[C@H]2OC1=O ZINC000085531325 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C4CCCC4)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531327 KK Annotated Mild in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531329 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531331 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531332 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531334 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000085531336 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4c5c(c(=O)oc34)C(C)(C)CC5)OC(C)(C)[C@H]2OC1=O ZINC000085531338 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4c(CO)c(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531342 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000085531344 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3ccccc3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531346 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000085531348 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)CCCC(=O)O[C@@H]2c3c(ccc4cc([C@H](CCO)COCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531352 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531354 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000085531357 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)CC2(CCCC2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531361 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)CC2(CCCC2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531362 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(CCCc4ccccc4)Oc4ccc5ccc(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4cccc(Cc5ccccc5)c4)C3)[C@@H]2OC1=O ZINC000085531364 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2cccc(Cc3ccccc3)c2)CC(=O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@](C)(CCCc3ccccc3)[C@H]2OC1=O ZINC000085531366 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCC(C)C)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531369 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531371 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)[C@@H]2C=C[C@@H](c3ccccc3)C[C@H]2CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531373 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCC(C)C)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531375 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCC1)O3 ZINC000085531379 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H]2C[C@H](c4ccccc4)C=C[C@H]2c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(CCCc1ccccc1)O3 ZINC000085531381 KK Annotated Anodyne in-vitro biogenic CCNCC[C@@H](C)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@@H](CCc2ccccc2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531384 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531386 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000085531388 KK Annotated Mild in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531390 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc4cc2CC#CC[C@@](C)(O3)[C@H]1OC(=O)C(=C(C)C)CC4 ZINC000085531392 KK Annotated Mild in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531394 KK Annotated Anodyne in-vitro biogenic C/C(CO)=C1\CCc2ccc(cc2)C[C@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4cc(C(C)C)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531399 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531402 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)CCCc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1[C@](C)(C1CCCCC1)O3 ZINC000085531405 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCc2ccccc2)CC(=O)O[C@@H]2c3c(ccc4c(CO)cc(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531409 KK Annotated Anodyne in-vitro biogenic CC(C)=C1CCc2ccc3c(c2)CC#CC[C@@]2(C)Oc4ccc5c(CO)cc(=O)oc5c4[C@@H](OC(=O)C[C@H](CCc4ccccc4)C3)[C@@H]2OC1=O ZINC000085531411 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)CC2(CCCC2)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531413 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@]2(CC[C@@H](CC(C)C)C2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531414 KK Annotated Anodyne in-vitro biogenic COCCc1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)C[C@]2(CC[C@@H](CCC(C)C)C2)Cc2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531417 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@H]1OC(=O)CC[C@H](Cc2ccccc2)c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531418 KK Annotated Anodyne in-vitro biogenic COC[C@@H](CCO)c1cc2ccc3c(c2oc1=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)C(=C(C)C)CCc2cccc(c2)CC#CC[C@@]1(C)O3 ZINC000085531419 KK Annotated Mild in-vitro biogenic CC(C)=C1CCc2ccc(cc2)C[C@H](CCC(C)C)CC(=O)O[C@@H]2c3c(ccc4cc(CCOCO)c(=O)oc34)OC(C)(C)[C@H]2OC1=O ZINC000085531424 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@H]1OC(=O)CC[C@@H](Cc2ccccc2)c2ccc(cc2)CCC(=C(C)C)C(=O)O[C@@H]1C(C)(C)O3 ZINC000085531426 KK Annotated Anodyne in-vitro biogenic COCCc1c(CO)c2ccc3c(c2oc1=O)[C@@H](OC(C)=O)[C@@H]1OC(=O)C(=C(C)C)CCc2cccc(c2)CC#CC[C@@]1(C)O3 ZINC000085531433 KK Annotated Mild in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C5CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3C[C@@H](C)C=C[C@@H]4C[C@@H]1[C@@H](C)CC=C[C@H]51 ZINC000085531882 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C5CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCCCc1cccc(c1)C[C@@H](C4)[C@@H]1[C@H]5C=CC[C@H]1C ZINC000085531903 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C5CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3C[C@@H](C)CCC4=C[C@@H]1[C@@H]5C=CC[C@H]1C ZINC000085531906 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C(=C\CCCC4CCCCC4)[C@@]2(CCC2=C3C=C[C@@H]3[C@@H](C)CC=C[C@@H]23)[C@]12OC(=O)c1c(CCCN)cccc12 ZINC000085531914 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C(=C\CCCC4CCCCC4)[C@@]2(CCC2=C3CC[C@@H]3[C@@H](C)CC=C[C@@H]23)[C@]12OC(=O)c1c(CCCN)cccc12 ZINC000085531917 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C(=C\CCC4CCCCC4)[C@@]2(CCC2=C3C=C[C@@H]3[C@@H](C)CC=C[C@@H]23)[C@]12OC(=O)c1c(CCCN)cccc12 ZINC000085531927 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C(=C\CCC4CCCCC4)[C@@]2(CCC2=C3CC[C@H]3[C@@H](C)CC=C[C@@H]23)[C@]12OC(=O)c1c(CCCN)cccc12 ZINC000085531929 KK Annotated Anodyne in-vitro biogenic CC[C@H](C)C[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C\[C@@H]1CC[C@@H]2CC[C@@H]3C=CC=C[C@]32C1 ZINC000085531937 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C(=C\CCC4CCCC4)[C@@]2(CCC2=C3C=C[C@@H]3[C@@H](C)CC=C[C@@H]23)[C@]12OC(=O)c1c(CCCN)cccc12 ZINC000085531943 KK Annotated Anodyne in-vitro biogenic CCC[C@H]1[C@@]23C(=O)O/C(=C\CCC4CCCC4)[C@@]2(CCC2=C3CC[C@@H]3[C@H]2C=CC[C@H]3C)[C@]12OC(=O)c1c(CCCN)cccc12 ZINC000085531945 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=CC[C@H](C)[C@H]1C=C4 ZINC000085531950 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=CC[C@H]2CC=CC(=C4)[C@H]21 ZINC000085531951 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=C[C@H]2CC[C@@H](C4)[C@@H]1[C@H]2C ZINC000085531953 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=CC[C@H]2CCC[C@@H](C4)[C@H]12 ZINC000085531957 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)[C@@]23C4=C(CC[C@@]12[C@]1(OC(=O)c2c(CCCN)cccc21)[C@H]3CCC)[C@@H]1C=CC[C@@H](C)[C@@H]1CC4 ZINC000085531959 KK Annotated Anodyne in-vitro biogenic CC[C@H](C)C[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C\[C@H]1C=C[C@H]2CC[C@H]3C=CC=C[C@@]32C1 ZINC000085531971 KK Annotated Anodyne in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@]12/C(=C/[C@@H]1CC[C@@H]2CC[C@@H]4C=CC=C[C@]42C1)OC3=O ZINC000085531980 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C\[C@H]1CC[C@@H]2CC[C@@H]3C=CC=C[C@]32C1 ZINC000085531982 KK Annotated Anodyne in-vitro biogenic NCCCc1cccc2c1C(=O)O[C@@]21[C@@H](CCC2CCCCC2)[C@]23C=CCC[C@]12/C(=C/[C@H]1C=C[C@H]2CC[C@H]4C=CC=C[C@@]42C1)OC3=O ZINC000085531986 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1[C@@]2(OC(=O)c3c(CCCN)cccc32)[C@@]23CCC=C[C@@]12C(=O)O/C3=C\[C@H]1C=C[C@H]2CC[C@H]3C=CC=C[C@@]32C1 ZINC000085531989 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1CO ZINC000085532205 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)N3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@@H]3C2)c1 ZINC000085532228 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5N4[C@H]3C[C@@H]3CCC4=CC[C@H](C)C[C@@H]4[C@@]35O)[C@H]2[C@@H]1C ZINC000085532241 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3C[C@@H]4CCC5=CC[C@@H](C)C[C@@H]5[C@]4(O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532243 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532248 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)N3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](CO)[C@@H]4[C@@H]3C2)c1 ZINC000085532251 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)N3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532284 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532291 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C5CCCC5)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532293 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)N3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532307 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)[C@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532309 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C)C4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532312 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC3(CCCC3)CN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532323 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@]3(CCCC4(CCCC4)C3)CN3[C@H]([C@@H](O)[C@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532330 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 ZINC000085532332 KK Annotated Reactive in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532342 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)([C@@H]4C=CC[C@@H](C5CCCC5)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532345 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CC[C@](O)([C@H]4C=CC[C@@H](C)C4)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 ZINC000085532350 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C)C3)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532357 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@H]2CC3(CCCC3)[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(CO)=C1OC)[C@H]3C ZINC000085532359 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532363 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CSSC[C@@H]4CCC5(CCCC5)[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 ZINC000085532367 KK Annotated Reactive in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4C5(CCCC5)CCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532371 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]5N4[C@H]3CC[C@]5(O)[C@@H]3C=CC[C@H](C)C3)[C@H]2[C@@H]1C ZINC000085532379 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCC3)CN3[C@H]([C@@H](O)[C@@H]4C=CC[C@@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532386 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C5CCCC5)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532390 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)[C@H]4CC[C@@H](c5ccccc5)[C@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532393 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)[C@@H]5C=CC[C@@H](C6CCCC6)C5)N4C3)[C@H]2[C@@H]1C ZINC000085532397 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)[C@@H]1C=CC[C@H](C2CCCC2)C1 ZINC000085532400 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)[C@@H]4C=CC[C@H](C)C4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532404 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)[C@@H]1C=CC[C@H](C)C1 ZINC000085532407 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CSSC[C@H]4CCC5(CCCC5)[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 ZINC000085532409 KK Annotated Reactive in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@@H]4CCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532413 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)[C@H]4CC[C@@H](c5ccccc5)[C@@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532414 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)[C@H]4CC[C@H](c5ccccc5)[C@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532416 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@H]2CC3(CCCC3)[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532423 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@@H]4CCCCC45CCCC5)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532429 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532431 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc([C@@H]2CC[C@@H]3[C@H]2C[C@H]2[C@@H]4C(=CCCN2[C@@H]3[C@@H](O)CC)O/C(=C2/OC(=O)C(CO)=C2OC)[C@H]4C)c1 ZINC000085532440 KK Annotated Anodyne in-vitro biogenic COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532444 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)[C@H]4CC[C@H](c5ccccc5)[C@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532447 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@@H]1[C@H]2CC[C@H](c3ccccc3)[C@H]2C[C@H]2[C@@H]3C(=CCCN12)O/C(=C1/OC(=O)C(C)=C1OC)[C@H]3C ZINC000085532453 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)C[C@@H]3CCCC34CCCC4)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532455 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCC4)[C@H]4CC[C@H](c5ccccc5)[C@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532468 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)[C@H]4CC[C@H](c5ccccc5)[C@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532471 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CSSC[C@@H]4CCC[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 ZINC000085532475 KK Annotated Reactive in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@](O)(C[C@@H]4CCCC45CCCC5)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N34 ZINC000085532477 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC4(C(C)C)CCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532480 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)[C@H]4CC[C@H](c5ccccc5)[C@H]4C[C@H]3[C@H]2[C@@H]1C ZINC000085532482 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4C5(CCCC5)CCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532484 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)N3CCC=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532485 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532493 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)C[C@H]4CCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532496 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@H]5[C@@H](O)C[C@H]6CCC[C@@H]6CSSC[C@H]3N54)[C@H]2[C@@H]1C ZINC000085532501 KK Annotated Reactive in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CSSC[C@H]4CCC[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 ZINC000085532505 KK Annotated Reactive in-vitro biogenic CCCCCc1cccc([C@@H]2CC[C@@H]3[C@H]2C[C@H]2[C@@H]4C(=CCCN2[C@@H]3[C@@H](O)CC)O/C(=C2/OC(=O)C(C)=C2OC)[C@H]4C)c1 ZINC000085532511 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCC4)C[C@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532515 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CC4CCCCC4)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532517 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=C[C@@H]3C=C[C@]4(CCC[C@@H]([C@@H](O)C[C@@H]5CCCC56CCCC6)N4C3)[C@H]2[C@@H]1C ZINC000085532519 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CC[C@@H]4CC[C@@H]([C@H]2[C@@H]1C)N3[C@@H]4[C@@H](O)C[C@@H]1CCCC12CCCC2 ZINC000085532521 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)C[C@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532524 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@@H]4CCCCC45CCCC5)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532527 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CCCC(C)C)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532530 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532537 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@H]4CCCC[C@H]4CCC(C)C)C[C@@H](Cc4ccccc4)C[C@H]3[C@H]2[C@@H]1C ZINC000085532543 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC3CCCCC3)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532550 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)CC3CCCC3)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000085532552 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)CCCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532563 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)CC4CCCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532588 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)CN3[C@H]([C@@H](O)CC4CCCC4)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532591 KK Annotated Anodyne in-vitro biogenic COC1=C(C)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)C[C@H]4CCCC[C@@H]4CCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C ZINC000085532616 KK Annotated Anodyne in-vitro biogenic C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1cnc[nH]1 ZINC000085537056 KK Annotated Mild in-man C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@@H](C)[C@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1cnc[nH]1 ZINC000085537058 KK Annotated Mild in-man C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@H](C)[C@@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1cnc[nH]1 ZINC000085537059 KK Annotated Mild in-man C=C1C[C@H](C(C)=O)CCCNC(=O)C[C@H]([C@@H](C)C(=O)[C@@H](Cc2ccccc2)NC)C(=C)[C@@H](C)[C@@H](CCCCN)C(=O)C[C@H](Cc2ccccc2)C(=O)[C@H](C)[C@@H]1Cc1cnc[nH]1 ZINC000085537061 KK Annotated Mild in-man CC1=C[C@H]2C(=O)O[C@H]3C[C@@H](C/C=C(\C)[C@H](OCCc4ccc(N(C)S(C)(=O)=O)cc4)[C@@H](C)/C=C/C=C4\CO[C@H]([C@@H]1O)[C@@]42O)O[C@@]1(CC[C@H](C)[C@@H](C)O1)C3 ZINC000085537083 KK 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=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000085540113 KK Annotated Bother in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC)C3=C(C)C[C@H](OC(=O)[C@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000085540133 KK Annotated Mild in-vitro biogenic CCC(=O)OC[C@]1(O)O[C@H]([C@H]2C[C@H](C)[C@H]([C@]3(C)CC[C@H]([C@]4(C)CC[C@]5(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC(=O)CC)[C@H](C)C(=O)O)O5)O4)O3)O2)[C@@H](C)C[C@H]1C ZINC000085540148 KK Annotated Anodyne in-man C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OCCC)c(CCC(=O)OCCO)c4C)[C@]1(C)C3=CC=C(C(=O)OC)[C@@H]1C(=O)OC ZINC000085540165 KK Annotated Bother in-man C=C1[C@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@H](OC(=O)/C=C\c4ccccc4)C[C@@]3(C(C)(C)O)[C@H](OC(C)=O)[C@H]12 ZINC000085540287 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000085540300 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](OC(C)=O)[C@H]3C[C@@H](OC(C)=O)C(C)=C([C@H](OC(C)=O)[C@H](OC(C)=O)[C@]2(C)CC[C@H]1OC(=O)/C=C\c1ccccc1)C3(C)C ZINC000085540399 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3=C(C)[C@H](OC(C)=O)C[C@H]([C@H](OC(C)=O)[C@H]12)C3(C)C ZINC000085540407 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000085540581 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@]123)C4(C)C ZINC000085540594 KK Annotated Mild in-vitro biogenic CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(\C)[C@@H](OC(C)=O)C[C@@H]1OC(=O)/C=C/c1ccccc1)C2(C)C ZINC000085540690 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1cccc(c1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)N(C)CC5)OCO4)CCN1C ZINC000085540986 KK Annotated Anodyne in-vitro biogenic COc1cc2c3c(c1OC)Oc1cc4c(c(OC)c1OC)CCN(C)[C@H]4Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]2N(C)CC3 ZINC000085540988 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C)N(CC3)C2 ZINC000085541007 KK Annotated Anodyne in-vitro biogenic COc1ccc(C[C@H]2c3cc(OC)c(OC)c(O)c3CC[N+]2(C)C)cc1Oc1ccc(C[C@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000085541012 KK Annotated Bother in-vitro biogenic COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@H]4c5cc6c(c(OC)c5CCN4C)OCO6)cc3)c1)N(C)CC2 ZINC000085541015 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@@H](C2)N(C)CC5)OCO4)CCN1C ZINC000085541022 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@@H](C2)N(C)CC3)OCO4 ZINC000085541026 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000085541030 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1C(=[N+](C)CC3)C2 ZINC000085541200 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN(C)[C@@H]3C2 ZINC000085541288 KK Annotated Anodyne in-vitro biogenic CC(=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)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000085541654 KK Annotated Bother in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CC3)CC[C@@H](CCc3ccccc3)C4)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085541669 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@](O)(CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CC[C@@](C)(C4CCC5(CC4)CC[C@H](CCc4ccccc4)C5)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541683 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CC3)C[C@H](CCc3ccccc3)C3(CCCC3)C4)[C@H]12 ZINC000085541688 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CC3)CC[C@@H](CCc3ccccc3)C4)[C@H]12 ZINC000085541700 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@@H]1[C@H]1C[C@](C)(C#CC[C@]3(CCCC4(CCCC4)C3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085541796 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)([C@H]1CCC4(CCCC4)C1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541816 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)([C@H]3CCC4(CCCC4)C3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085541821 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCC3(CC1)CCC1(CCCC1)C3)CC[C@H]2O ZINC000085541830 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)([C@H]3CCC4(CCCC4)C3)[C@@H]1[C@H]1C[C@](C)(C#CCC3(CCCCC3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085541837 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)(C1CCC4(CC1)CCC1(CCCC1)C4)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541843 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCC4(CCCCC4)C(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCC3(CCCC3)CC1)CC[C@H]2O ZINC000085541850 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)C(C)(C)CC[C@H]2O ZINC000085541853 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCCCC1)CC[C@H]2O ZINC000085541855 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)(C1CCC4(CCCC4)CC1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541862 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCC4(CCCCC4)C(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCCCC1)CC[C@H]2O ZINC000085541867 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541877 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541881 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085541884 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCC4(CCCCC4)C(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCCC1)CC[C@H]2O ZINC000085541896 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)(C1CCCC1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541902 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@]1(O)C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)([C@@H]4CCC5(CCCC5)C4)CC[C@@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541907 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@@]1(O)C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C4CCC5(CCCC5)CC4)CC[C@@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541925 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)([C@@H]3CCC4(CCCC4)C3)[C@H]12 ZINC000085541935 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@]1(O)C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C4CCCCC4)CC[C@@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541936 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CC3)CCC3(CCCC3)C4)[C@H]12 ZINC000085541943 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@]3(C)[C@@H]1[C@]1(C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1)NN[C@@H]1CC2(CCCC2)C[C@@H]13 ZINC000085541946 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CCC(C)(C)[C@H]12 ZINC000085541955 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CCCC4)CC3)[C@H]12 ZINC000085541959 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@]1(O)C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C4CCCC4)CC[C@@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085541962 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H]1[C@](C)(C1CCCCC1)CC[C@H]2O ZINC000085541972 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085541991 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)([C@@H]3CCC4(CCCC4)C3)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085541995 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@@]12[C@@H](O)CC[C@@]3(C)[C@@H]4CCC[C@@H]4NN[C@@]4(C[C@](C)(C#CCCC(=O)O4)[C@]1(O)CCC1=CC(=O)OC1)[C@@H]32 ZINC000085542001 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@@]12[C@@H](O)CC[C@@]3(C)[C@@H]4CCC[C@@H]4NN[C@@]4(C[C@](C)(C#CCC5(CCCCC5)C(=O)O4)[C@]1(O)CCC1=CC(=O)OC1)[C@@H]32 ZINC000085542008 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)([C@H]3CC[C@@]4(CCC5(CCCC5)C4)C3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542011 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)([C@H]3CCC4(CCCC4)C3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542015 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)([C@H]3CCC4(CCCC4)C3)[C@@H]1[C@H]1C[C@](C)(C#CCC3(CCCCC3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542017 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CCCC4)CC3)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542021 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@H](CC[C@H](C)CCCc3ccccc3)[C@]3([C@@H]1[C@](C)([C@H]1CCC4(CCCC4)C1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542031 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542034 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)C(C)(C)CC[C@H]2O ZINC000085542050 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)(C3CCC4(CCCC4)CC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542054 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@H](O)[C@]12[C@@H](O)CC[C@@](C)(C3CCCC3)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542057 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542060 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CC[C@@](C)(C4CCC5(CCCC5)CC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542064 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H]([C@H]3C[C@](C)(C#CCC4(CCCCC4)C(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCCCC1)CC[C@H]2O ZINC000085542069 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542074 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542077 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)(C3CCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542095 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H]([C@H]3C[C@](C)(C#CCC4(CCCCC4)C(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCCC1)CC[C@H]2O ZINC000085542104 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CC[C@H](C)CCCc3ccccc3)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542113 KK Annotated Anodyne in-vitro biogenic CC(C)CC[C@H](O)[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)[C@](C)(C1CCCCC1)CC[C@H]2O ZINC000085542145 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CCC(C)C)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542148 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@](O)(CC[C@@H](C)CCC(C)C)[C@@]3([C@@H](O)CCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542159 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@@H]1C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C4CCCCC4)CC[C@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542164 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CCC(C)C)[C@]3([C@@H]1[C@](C)(C1CCCC1)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542167 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCC4(CCCC4)CC3)[C@H]12 ZINC000085542185 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CC[C@@H]1C=C[C@@]2(C)C[C@@H](OC(=O)C3CCCCC3)[C@H]3[C@](C)(C4CCCC4)CC[C@H](O)[C@]31[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542191 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(CCC[C@H](C)CCCc3ccccc3)[C@@H]1C(C)(C)CC[C@H]2O ZINC000085542195 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542210 KK Annotated Anodyne in-vitro biogenic C[C@@]12C=C[C@@H](O)[C@@]34[C@H](O)CC[C@@]5(C)CCCC(=CO[C@]13CCC1=CC(=O)OC1)[C@]54[C@H](OC(=O)C1CCCCC1)C2 ZINC000085542215 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@H](C)CCCc3ccccc3)[C@@H](O)CC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542263 KK Annotated Anodyne in-vitro biogenic CC(C)CCC[C@H](C)CC[C@H](O)[C@]12[C@@H](O)CCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542283 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CCC(C)C)[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542284 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@](O)(CC[C@@H](C)CCCC(C)C)[C@@]3([C@@H](O)CCC(C)(C)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542300 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@@H]1[C@H](OC(=O)C1CCCCC1)C[C@@H](C)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542307 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1CC[C@@H]([C@]2(C)CC[C@@H](O)[C@@]3(CCC[C@H](C)CCCc4ccccc4)[C@H]2[C@H]2C[C@](C)(C#CCCC(=O)O2)[C@]3(O)CCC2=CC(=O)OC2)C1 ZINC000085542311 KK Annotated Mild in-vitro biogenic C[C@@]1(C2CCCCC2)CC[C@H](O)[C@]23[C@H]1[C@H](OC(=O)C1CCCCC1)C[C@](C)(C=C[C@H]2O)[C@]3(O)CCC1=CC(=O)OC1 ZINC000085542323 KK Annotated Anodyne in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12CCCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542325 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12CCC[C@@](C)(C3CCCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542328 KK Annotated Mild in-vitro biogenic CC(C)CCC[C@]12[C@@H](O)CCC(C)(C)[C@@]13C=CO[C@]2(CCC1=CC(=O)OC1)[C@@]1(C)C#CCCC(=O)O[C@@H]3C1 ZINC000085542333 KK Annotated Mild in-vitro biogenic C[C@H](CCCc1ccccc1)CCC[C@]12CCC[C@@](C)(C3CCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542336 KK Annotated Mild in-vitro biogenic C[C@@]1(C2CCC3(CCCC3)CC2)CC[C@@H](O)[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542354 KK Annotated Mild in-vitro biogenic C[C@@]1(C2CCCCC2)CC[C@@H](O)[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCC3(CCCCC3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542364 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CCC(C)C)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542366 KK Annotated Anodyne in-vitro biogenic CC(C)CCC[C@]12[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542371 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2([C@@H](O)CC[C@@H](C)CCCC(C)C)[C@@H](O)CCC(C)(C)[C@H]12 ZINC000085542377 KK Annotated Anodyne in-vitro biogenic CC(C)CC[C@H](C)CCC[C@]12[C@@H](O)CCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542389 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CC[C@@H](C)CCC(C)C)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542398 KK Annotated Anodyne in-vitro biogenic CC(C)CCC[C@]12[C@@H](O)CC[C@@](C)(C3CCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542402 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CCC(C)C)[C@@]3([C@@H](O)CC[C@@](C)(C4CCCC4)[C@H]13)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542405 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@H](C)CCCc3ccccc3)CCCC(C)(C)[C@H]12 ZINC000085542406 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(C)[C@@H]1[C@](C)([C@H]1CCC3(CCCC3)C1)CC[C@H]2O ZINC000085542426 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@H](C)CCCc3ccccc3)CCC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542436 KK Annotated Anodyne in-vitro biogenic CC(C)CCC[C@H](C)CCC[C@]12[C@@H]([C@H]3C[C@](C)(C#CCCC(=O)O3)[C@]1(O)CCC1=CC(=O)OC1)C(C)(C)CC[C@H]2O ZINC000085542443 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(C)[C@@H](O)CC[C@@](C)(C3CCC4(CCCC4)CC3)[C@H]12 ZINC000085542449 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](CC[C@@H](C)CCCC(C)C)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 ZINC000085542453 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(CCC[C@@H](C)CCC(C)C)[C@@H]1C(C)(C)CC[C@H]2O ZINC000085542457 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCCC(C)C)[C@@H](O)CC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542464 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCCC(C)C)[C@@H](O)CC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542480 KK Annotated Anodyne in-vitro biogenic CC(C)CCC[C@]12CCCC(C)(C)[C@@]13C=CO[C@]2(CCC1=CC(=O)OC1)[C@@]1(C)C#CCCC(=O)O[C@@H]3C1 ZINC000085542485 KK Annotated Mild in-vitro biogenic C[C@@]1(C2CCC3(CCCC3)CC2)CCC[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542495 KK Annotated Mild in-vitro biogenic C[C@@H]1C[C@@H](OC(=O)C2CCCCC2)[C@H]2[C@](C)(C3CCCCC3)CC[C@H](O)[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000085542499 KK Annotated Anodyne in-vitro biogenic C[C@@]1(C2CCCCC2)CCC[C@@]2(C)[C@H]1[C@H]1C[C@](C)(C#CCC3(CCCCC3)C(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542519 KK Annotated Mild in-vitro biogenic CC(C)CCC[C@]12CCC[C@@](C)(C3CCCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542523 KK Annotated Mild in-vitro biogenic CC(C)CC[C@H](C)CCC[C@]12CCCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542526 KK Annotated Mild in-vitro biogenic C[C@@H]1C[C@@H](OC(=O)C2CCCCC2)[C@H]2[C@](C)(C3CCCC3)CC[C@H](O)[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000085542533 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@]2(CCC[C@@H](C)CCCC(C)C)[C@@H]1C(C)(C)CC[C@H]2O ZINC000085542536 KK Annotated Anodyne in-vitro biogenic CC(C)CCC[C@]12CCC[C@@](C)(C3CCCC3)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542542 KK Annotated Mild in-vitro biogenic CC(C)CCC[C@H](C)CCC[C@]12CCCC(C)(C)[C@@H]1[C@H]1C[C@](C)(C#CCCC(=O)O1)[C@]2(O)CCC1=CC(=O)OC1 ZINC000085542554 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1CC[C@@H]([C@]2(C)CC[C@@H](O)[C@@]3(C)[C@H]2[C@H](OC(C)=O)C[C@@H](C)[C@]3(O)CCC2=CC(=O)OC2)C1 ZINC000085542556 KK 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)(C3CCC4(CCCC4)CC3)[C@H]12 ZINC000085542561 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCCC(C)C)CCC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000085542564 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@@H](C)CCC(C)C)CCCC(C)(C)[C@H]12 ZINC000085542567 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCCC(C)C)CCC[C@@](C)(C3CCCC3)[C@H]12 ZINC000085542575 KK Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H](OC(=O)C2CCCCC2)[C@H]2[C@](C)(C3CCCCC3)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000085542578 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@@H](C)CCCC(C)C)CCCC(C)(C)[C@H]12 ZINC000085542581 KK Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@@H](OC(=O)C2CCCCC2)[C@H]2[C@](C)(C3CCCC3)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1 ZINC000085542585 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1CC[C@@H]([C@]2(C)CCC[C@@]3(C)[C@H]2[C@H](OC(C)=O)C[C@@H](C)[C@]3(O)CCC2=CC(=O)OC2)C1 ZINC000085542587 KK Annotated Anodyne in-vitro biogenic C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@H]3C[C@H]4[C@]5(CCC[C@@]46CC[C@H](O)C[C@@H]6[C@@H](O)C5)[C@@H]3C[C@H]3C[C@@H]4C=CO[C@@]2(C4)[C@H]13 ZINC000085542913 KK Annotated Anodyne in-vitro biogenic C[C@]12CC[C@H](COC3CCCC3)[C@]34CC[C@@H](CO)[C@](N)([C@@H]5C#CCc6cc(O)ccc6C[C@H]6C[C@@H](CC7(CCCC7)C6)[C@@]5(C3)O1)[C@@H]42 ZINC000085542942 KK Annotated Mild in-vitro biogenic C[C@]12CC[C@H](COCCO)[C@]34CC[C@@H](CO)[C@](N)([C@@H]5C#CCc6cc(O)ccc6C[C@H]6C[C@@H](CC7(CCCC7)C6)[C@@]5(C3)O1)[C@@H]42 ZINC000085542945 KK Annotated Mild in-vitro biogenic COC[C@H]1CC[C@@]2(C)O[C@@]34C[C@@]15CC[C@@H](CO)[C@](N)([C@@H]3C#CCc1cc(O)ccc1C[C@H]1C[C@H]4CC3(CCCC3)C1)[C@@H]52 ZINC000085542962 KK Annotated Mild in-vitro biogenic COC[C@@H]1CC[C@@]2(C)O[C@@]34C[C@@]15CC[C@@H](CO)[C@](N)([C@@H]3C#CC1(CCCCC1)c1cc(O)ccc1C[C@H]1C[C@H]4CC3(CCCC3)C1)[C@@H]52 ZINC000085542966 KK Annotated Mild in-vitro biogenic C[C@]12CC[C@@H](C=O)[C@]34CC[C@@H](CO)[C@](N)([C@@H]5C#CCc6cc(O)ccc6C[C@H]6C[C@@H](CC7(CCCC7)C6)[C@@]5(C3)O1)[C@H]24 ZINC000085542986 KK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23C[C@@H]4[C@H]5C=C[C@](CO)(C5)[C@](N)([C@@H]2C#C[C@@H]2C=C[C@H](c5ccc(O)cc52)[C@@H]2C[C@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000085542999 KK Annotated Mild in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#CC2(CCCCC2)c2cc(O)ccc2C[C@@H]2C[C@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000085543005 KK Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@]34CC[C@@H](CO)[C@@](N)([C@@H]31)[C@H]1C#CC3(CCCCC3)c3cc(O)ccc3C[C@H]3C[C@H](CC5(CCCC5)C3)[C@@]1(C4)O2 ZINC000085543008 KK Annotated Mild in-vitro biogenic CC1(C)O[C@@]23C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]2C#CCc2cc(O)ccc2C[C@H]2C[C@H]3CC3(CCCC3)C2)[C@@H]41 ZINC000085543010 KK Annotated Mild in-vitro biogenic C[C@@]12CCC[C@@]34CC[C@H](CO)[C@@](N)([C@@H]31)[C@H]1C#CCc3cc(O)ccc3C[C@@H]3C[C@@H](CC5(CCCC5)C3)[C@@]1(C4)O2 ZINC000085543015 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@@H]1CCC[C@H](C1)[C@]13C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]1C#CC2)[C@@H]4[C@@](C)(C1CCCCC1)O3 ZINC000085543023 KK Annotated Mild in-vitro biogenic CC1(C)O[C@]23C[C@@]4(N)[C@@H](CO)CC[C@@H]([C@@H]2c2ccc5cccc6c5c2[C@@H]2[C@H](CC5(CCCC5)C[C@@H]23)[C@H]6c2ccc(N)nc2)[C@@H]14 ZINC000085543038 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc2c1C[C@@H]1CCC[C@H](C1)[C@]13C[C@@H]4CC[C@H](CO)[C@](N)([C@@H]1C#CC2)[C@@H]4[C@@](C)(C1CCCC1)O3 ZINC000085543045 KK Annotated Mild in-vitro biogenic CC(C)C[C@@H]1CC[C@@]2(C1)C[C@@H]1Cc3ccc(O)cc3CC#C[C@@H]3[C@@]4(C[C@@H]5CC[C@@H](CO)[C@@]3(N)[C@@H]5C(C)(C)O4)[C@H](C1)C2 ZINC000085543051 KK Annotated Mild in-vitro biogenic CC(C)C[C@@H]1CC[C@@]2(C1)C[C@@H]1C[C@@H](Cc3ccc(O)cc3CC#C[C@H]3[C@]4(N)[C@@H](CO)CC[C@@]56CCC[C@@](C)(O[C@]13C5)[C@H]64)C2 ZINC000085543058 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@@H]1C[C@H](C[C@H](CCC(C)C)C1)[C@]13C[C@@H]4CC[C@@H](CO)[C@](N)([C@@H]1C#CC2)[C@@H]4C(C)(C)O3 ZINC000085543064 KK Annotated Mild in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@H]3CC2(CCCC2)C1 ZINC000085543073 KK Annotated Mild in-vitro biogenic C[C@]12CCC[C@@H]3C[C@@]4(O1)[C@H]1C[C@H](Cc5ccc(O)cc5CC#C[C@@H]4[C@@](N)(CCO)[C@@H]32)CC2(CCCC2)C1 ZINC000085543076 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@H]1CCC[C@@H](C1)[C@]13CC[C@H]([C@@](N)(CCO)[C@H]1C#CC2)[C@@](C)(C1CCCCC1)O3 ZINC000085543083 KK Annotated Mild in-vitro biogenic C[C@]1(C2CCCC2)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@@H]3CC2(CCCC2)C1 ZINC000085543097 KK Annotated Mild in-vitro biogenic CC(C)C[C@H]1CC[C@]2(C[C@H]3Cc4ccc(O)cc4CC#C[C@H]4[C@@](N)(CCO)[C@H]5CC[C@@]4(OC5(C)C)[C@H](C3)C2)C1 ZINC000085543104 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc2c1C[C@@H]1C[C@@H](CCC(C)C)C[C@H](C1)[C@@]13CC[C@@H](C(C)(C)O1)[C@@](N)(CCO)[C@@H]3C#CC2 ZINC000085543112 KK 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]1C[C@@H]3CC2(CCCC2)C1 ZINC000085543135 KK Annotated Mild in-vitro biogenic C[C@]1(C2CCCCC2)O[C@@]2([C@@H]3C[C@@H](Cc4ccc(N)nc4)CC4(CCCC4)C3)CC[C@@H]1[C@](N)(CCO)C2 ZINC000085543143 KK Annotated Anodyne in-vitro biogenic CC1(C)O[C@@]23CC[C@@H]1[C@](N)(CCO)[C@H]2C#CCc1cc(O)ccc1C[C@@H]1C[C@H]3CC[C@@H]1Cc1ccccc1 ZINC000085543145 KK Annotated Mild in-vitro biogenic CNC[C@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)C[C@@]12CCC1(CCCC1)C2 ZINC000085543421 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSSC[C@H](C3)C[C@@H]12 ZINC000085543424 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@]12C[C@H]4C3 ZINC000085543430 KK Annotated Reactive in-vitro biogenic CNC[C@H]1C[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 ZINC000085543442 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1C[C@@]2(C[C@H]3[C@@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSS[C@H]5C=C[C@@]3(C[C@H]5C4)[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 ZINC000085543445 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@@]1(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@H](C4)C[C@H]32)C[C@H](CNC2CCCCC2)C2(CCCC2)C1 ZINC000085543453 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@]5(C)CC[C@@H](SSC5)[C@@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)C1 ZINC000085543456 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@]1(C=CC[C@H](C)C1)C2 ZINC000085543459 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSS[C@H]5C=C[C@]3(C[C@@H]5C4)[C@]3(C=CC[C@H](C)C3)C2)C1 ZINC000085543462 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@@H](CNC3CCCCC3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 ZINC000085543465 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 ZINC000085543468 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@]12C[C@H]4C3 ZINC000085543470 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@]4(C)CC[C@H](SSC4)[C@@H](C3)C[C@H]12 ZINC000085543473 KK Annotated Reactive in-vitro biogenic CCCCCCNC[C@H]1C[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 ZINC000085543476 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSSC[C@@H](C3)C[C@@H]12 ZINC000085543478 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSS[C@H]4C=C[C@]12C[C@H]4C3 ZINC000085543481 KK Annotated Reactive in-vitro biogenic CCCCCCNC[C@H]1CC[C@]2(C1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@H](C3)C[C@H]1[C@]1(C=CC[C@H](C)C1)C2 ZINC000085543486 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@@H]4Cc5cc(O)cc(c5)Cc5ccccc5CC[C@H]([C@H](C)O)CSSC[C@@H](C4)C[C@@H]32)C1 ZINC000085543493 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#Cc3c(O)cc4cc3C[C@H]3C[C@@H]5C[C@@]2(C=C[C@@H]5SSC[C@H](C)NCc2ccccc2C4)[C@@H]3C1 ZINC000085543494 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSS[C@H]5C=C[C@]32C[C@H]5C4)C1 ZINC000085543500 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSSC[C@H](C4)C[C@@H]32)C1 ZINC000085543501 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3CSSC[C@@H]([C@H](C)O)CCc4ccccc4Cc4cc(O)cc(c4)C[C@H](C3)C2)C1 ZINC000085543504 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2C[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4[C@H]4CC[C@@H](SSC[C@H](C3)C2)[C@H]([C@H](C)O)C4)C1 ZINC000085543507 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@H](SSC4)[C@@H](C2)C3)C1 ZINC000085543509 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@@]23C=C[C@H]4SSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@@H](C[C@@H]4C2)C3)C1 ZINC000085543512 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2C[C@@H]3Cc4cc(O)cc(c4)[C@@H]4CC[C@H](N[C@H](C)CSSC[C@H](C3)C2)c2ccccc24)C1 ZINC000085543515 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H](C3)C2)C1 ZINC000085543518 KK Annotated Reactive in-vitro biogenic C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3CSSC[C@@H]([C@H]4C=c5ccccc5=CC4)CCc4ccccc4Cc4cc(O)cc(c4)C[C@H](C3)C2)C1 ZINC000085543520 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@@H]1[C@H]2CCC[C@@]12C=CC[C@H](C)C2 ZINC000085543523 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@@H]2C[C@H](CSSC1)C[C@H]([C@@]1(C)C=CC[C@H](C)C1)C2 ZINC000085543527 KK Annotated Reactive in-vitro biogenic CC(C)CC[C@H](C)N[C@H]1CC[C@@H](c2cc(O)cc(C[C@H]3CCC[C@@H]([C@@]4(C)C=CC[C@H](C)C4)C3)c2)c2ccccc21 ZINC000085543533 KK Annotated Anodyne in-vitro biogenic CCN[C@@H]1CC[C@H](c2cc(O)cc(C[C@H]3C[C@H]([C@@]4(C)C=CC[C@H](C)C4)CC4(CCCC4)C3)c2)c2ccccc21 ZINC000085543536 KK Annotated Anodyne in-vitro biogenic CC(C)CC[C@H](C)NCc1ccccc1Cc1cc(O)cc(C[C@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543547 KK Annotated Anodyne in-vitro biogenic C[C@H]1CC=C[C@](C)([C@@H]2CCC[C@H](Cc3cc(O)cc(Cc4ccccc4CCC[C@@H]4C=c5ccccc5=CC4)c3)C2)C1 ZINC000085543552 KK Annotated Anodyne in-vitro biogenic CC(C)CCCCCCCc1ccccc1Cc1cc(O)cc(C[C@@H]2CCC[C@H]([C@@]3(C)C=CC[C@H](C)C3)C2)c1 ZINC000085543617 KK Annotated Anodyne in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)CCOC ZINC000085544261 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](CCOC)C1CCCCC1 ZINC000085544273 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC ZINC000085544290 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(C/C=C(\C)CN[C@H](C)CCOC)CCCC1 ZINC000085544301 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544370 KK Annotated Reactive in-vitro biogenic CNCC[C@@]1(O)C[C@@H]2C=C[C@@H](CCO)[C@@H](/C2=C(/C)C=O)[C@@]12CC[C@@H](/C(=C\C=C\C(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O ZINC000085544380 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)Cc1ccccc1 ZINC000085544381 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)C)CCCC1 ZINC000085544398 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC ZINC000085544417 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC1CCCCC1 ZINC000085544421 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)C ZINC000085544441 KK Annotated Reactive in-vitro biogenic CC(C)=CCCC(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 ZINC000085544451 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(C/C=C(\C)CNCC)CCCC1 ZINC000085544455 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CCCC(C)C ZINC000085544461 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 ZINC000085544467 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CC/C=C(\C)CNCC ZINC000085544498 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544505 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544507 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C ZINC000085544509 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C ZINC000085544534 KK Annotated Reactive in-vitro biogenic CNCC[C@@]1(O)CC/C(=C(\C)C=O)[C@H](CCCO)[C@@]12CC[C@@H](/C(=C\C=C\C(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O ZINC000085544545 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)C)CCCC1 ZINC000085544564 KK Annotated Reactive in-vitro biogenic CC(C)=CCCC(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 ZINC000085544577 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@]23[C@H](/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H](CCO)CC[C@@]13O)CCC=C(C)C ZINC000085544588 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CC/C=C(\C)CNCC ZINC000085544593 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C ZINC000085544596 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 ZINC000085544602 KK Annotated Reactive in-vitro biogenic CC(C)=CCCC(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 ZINC000085544604 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CCCC(C)C ZINC000085544610 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@@]4(CCO)C=C[C@@]12O)C[C@@]3(C)O)CCC=C(C)C ZINC000085544615 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@@]2(C)O)CCC=C(C)C ZINC000085544628 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 ZINC000085544632 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544645 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@H]3C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544653 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C ZINC000085544658 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C ZINC000085544663 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C ZINC000085544684 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]23[C@H](/C(=C(/C)C=O)CC[C@@]2(C)O)[C@H](CCO)CC[C@@]13O)CCC=C(C)C ZINC000085544686 KK Annotated Reactive in-vitro biogenic CC(C)=CCCC(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 ZINC000085544690 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C ZINC000085544694 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 ZINC000085544698 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO[C@@H](CO)CCCCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544704 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@H]3C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085544716 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C ZINC000085544723 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C ZINC000085544728 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C ZINC000085544733 KK Annotated Reactive in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@@]2([C@H]1CC[C@@H]2C=C[C@H]3[C@@H](OC=C[C@@H]3O)[C@@H]2C1)[C@@H](N)C=O ZINC000085544824 KK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@]2([C@@H](N)C=O)[C@H]1C=C[C@@H]2C[C@H](CNc3ccccc3)C[C@@H]2C1 ZINC000085544844 KK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2([C@@H](N)C=O)[C@H]1C=C[C@@H]2C[C@H](CNc3ccccc3)C[C@@H]2C1 ZINC000085544847 KK Annotated Mild in-vitro biogenic C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@@]2(CC[C@@H]1CC[C@H](CNc2ccccc2)C1)[C@@H](N)C=O ZINC000085544915 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]34CC[C@H](CCCO)[C@]3(CO)C=C[C@H]3C=C[C@@]5([C@@H]1C5(C)C)[C@]2(C)[C@@H]34 ZINC000085545076 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]3(CC[C@H](CCCO)[C@H]3CO)[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545081 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]3(CC[C@@H](CCCO)[C@@H]3CO)[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545085 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]34CCC[C@]3(CO)C=C[C@@H]3C=C[C@@]5([C@@H]1C5(C)C)[C@]2(C)[C@@H]34 ZINC000085545088 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]3(CCC[C@@H]3CO)[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545090 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@@]3(CC[C@@H](CCCO)C3)[C@@H]3CC=C[C@@]4([C@@H]1C4(C)C)[C@@]23C ZINC000085545104 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@@]3(CC[C@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@@H]3[C@@H](CO)CC[C@@H]4C=C[C@@]5([C@@H]1C5(C)C)[C@]2(C)[C@H]34 ZINC000085545109 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@@](C)([C@H]3CCC[C@H](CO)[C@@H]3C[C@]23CC[C@H](C[C@H](CC2=C[CH+]N=C2)[C@@H](O)CNC)C3)[C@H]2[C@@H]1C2(C)C ZINC000085545123 KK Annotated Mild in-vitro biogenic C=C1C=C2[C@]3(CC[C@@H](C[C@H](CO)CC4=C[CH+]N=C4)C3)C[C@]3(CC[C@H](CCCO)C3)[C@H](C)[C@@]2(C)[C@H]2[C@@H]1C2(C)C ZINC000085545126 KK Annotated Mild in-vitro biogenic C/C=C(\C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](OC)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C ZINC000085545359 KK Annotated Anodyne CC1(C)C[C@@H]2C3=CC(=O)[C@@H]4[C@]56CCCC[C@]4(CC[C@@H]5[C@](C)([C@H](O)CO)[C@@H](O)CC6)[C@]3(C)C[C@H](O)[C@@]2(CO)C2(CCCC2)C1 ZINC000085545945 KK Annotated Mild in-vitro biogenic CC1(C)C[C@@H]2C3=CC(=O)[C@@H]4[C@]56CCCC[C@]4(CC[C@@H]5[C@](C)(CO)[C@@H](O)CC6)[C@]3(C)C[C@H](O)[C@@]2(CO)C2(CCCC2)C1 ZINC000085546040 KK Annotated Mild in-vitro biogenic CCCCCC[C@]12CC[C@H](O)[C@@](C)(CO)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@]4(C)CCC#C[C@@H](O)[C@@]3(CC4)[C@@H](O)C[C@]21C ZINC000085546076 KK Annotated Mild in-vitro biogenic C[C@]12CCC#C[C@H](O)[C@@]3(CC1)[C@@H](O)C[C@]1(C)C(=CC(=O)[C@@H]4[C@@]5(C6CCCCC6)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]41C)[C@H]3C2 ZINC000085546082 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@]4(CC[C@@H](O)C4)[C@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C)[C@]2(O)OC ZINC000085546111 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@]4(CC[C@H](CNC)C4)[C@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C)[C@@]2(O)OC ZINC000085546121 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@@]4(CC[C@H](CNCCCC(C)C)C4)[C@@H](CO)c4ccc5ccc(cc5c4)C[C@]13C)[C@]2(O)OC ZINC000085546126 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@@]4(CCC5(CCCC5)C4)[C@@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C)[C@@]2(O)OC ZINC000085546134 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C4(CCCC4)[C@@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C)[C@@]2(O)OC ZINC000085546138 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc5c4C=C[C@H]4CCC[C@]54[C@@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C)[C@@]2(O)OC ZINC000085546140 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc5c4CC[C@@H]4CCC[C@]54[C@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C)[C@]2(O)OC ZINC000085546146 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@H]4C=C[C@@H]5Cc6cc7ccc(cc7cc6[C@H]4[C@H]5O)C[C@]13C)[C@@]2(O)OC ZINC000085546154 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@@H]4c5cc6cc(ccc6cc5C=C[C@H]4O)C[C@]13C)[C@]2(O)OC ZINC000085546157 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@H]4c5cc6cc(ccc6cc5CC[C@H]4O)C[C@]13C)[C@@]2(O)OC ZINC000085546166 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)[C@H]4CC[C@H]5Cc6cc7ccc(cc7cc6[C@@H]4[C@H]5O)C[C@]13C)[C@]2(O)OC ZINC000085546170 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@H]4c5cc6cc7c(cc6cc5C=C[C@@H]4O)C=CC[C@@]13C7)[C@@]2(O)OC ZINC000085546173 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)[C@H]3CCC[C@@]14Cc1ccc5cc6c(cc5c1)[C@@H](Cc1cccc(c1)CCC(=O)[C@]34[C@]2(O)OC)[C@@H](O)C=C6 ZINC000085546177 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)[C@H]3CCC[C@@]14Cc1ccc5cc6c(cc5c1)[C@@H](Cc1cccc(c1)CCC(=O)[C@]34[C@@]2(O)OC)[C@H](O)CC6 ZINC000085546182 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C4(CCCC4)[C@H](CO)c4ccc5ccc(cc5c4)C[C@]13C)[C@@]2(O)OC ZINC000085546187 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C4(CCCC4)[C@@H]4c5cc6cc(ccc6cc5C=C[C@H]4O)C[C@]13C1CCCCC1)[C@]2(O)OC ZINC000085546197 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@H]4c5cc6cc(ccc6cc5C=C[C@@H]4O)C[C@]13C1CCCCC1)[C@@]2(O)OC ZINC000085546208 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@]3(C(=O)CCc4cccc(c4)C[C@H]4c5cc6cc(ccc6cc5CC[C@@H]4O)C[C@]13C1CCCCC1)[C@]2(O)OC ZINC000085546212 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)[C@H]3CCC[C@@]14Cc1ccc5ccc(cc5c1)[C@@H](CO)Cc1cccc(c1)CCC(=O)[C@]34[C@]2(O)OC ZINC000085546217 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(-c4ccc([C@H](CNC)c5ccc(O)cc5)c(O)c4)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546223 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(-c4cc(O)c(Cc5ccc(O)cc5)c(CNC)c4)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546226 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)(C1(C)C)[C@]2(O)OC ZINC000085546231 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)[C@H]3CCC[C@]1(C)[C@@]3(C(=O)CCc1cccc(-c3ccc(Cc4ccc(O)cc4)c(O)c3)c1)[C@]2(O)OC ZINC000085546238 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNCCCc5ccccc5)c4)c3)(C1(C)C)[C@]2(O)OC ZINC000085546244 KK Annotated Mild in-vitro biogenic CC(/C=C/C=C(\C)[C@H](O)[C@@H](C)[C@@H]1C[C@H](O)/C(C)=C/C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2)=C\c1coc(C)n1 ZINC000085546247 KK Annotated Anodyne C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)([C@]1(C)C1CCCCC1)[C@]2(O)OC ZINC000085546250 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)([C@@]2(O)OC)[C@]1(C)C1CCCC1 ZINC000085546255 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNCCc5ccccc5)c4)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546264 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@@](C(=O)CCc3cccc(-c4cc(O)cc(CNCCCC(C)C)c4)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546274 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3cccc(-c4ccc([C@H](CNC)c5ccc(O)cc5)c(O)c4)c3)([C@@H]2OC)C1(C)C ZINC000085546279 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@](C(=O)CCc3cccc(-c4cc(O)cc(CNC)c4)c3)([C@@]2(O)OC)[C@]1(C)C1CCCCC1 ZINC000085546288 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@@](C(=O)CCc3cccc(-c4cccc(O)c4)c3)([C@]1(C)C1CCCCC1)[C@]2(O)OC ZINC000085546311 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@@H](CO)C[C@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)([C@H]2OC)C1(C)C ZINC000085546319 KK Annotated Mild in-vitro biogenic C=C1[C@@H]2[C@H](OC)[C@@]3(C(=O)CCc4cccc(-c5ccc(Cc6ccc(O)cc6)c(O)c5)c4)[C@H](CCC[C@@]13C)[C@H]2CO ZINC000085546323 KK Annotated Mild in-vitro biogenic C=C1[C@@H]2[C@H](OC)[C@@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)(C[C@H]2CO)[C@]1(C)C1CCCCC1 ZINC000085546336 KK Annotated Mild in-vitro biogenic C=C1[C@H]2[C@H](CO)C[C@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)([C@@H]2OC)[C@]1(C)C1CCCC1 ZINC000085546341 KK Annotated Mild in-vitro biogenic C=C1[C@H]2CC[C@@](C(=O)CCc3cccc(-c4ccc(Cc5ccc(O)cc5)c(O)c4)c3)(C1(C)C)[C@@]2(O)OC ZINC000085546354 KK Annotated Mild in-vitro biogenic CC[C@@H]1O[C@@]2([C@]3(C)C[C@H](C)[C@@H]([C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]4O[C@](C)(O)[C@H](CC)[C@H](O)[C@@H]4C)O3)O[C@]1(CC)C[C@H]2C ZINC000085546356 KK Annotated Anodyne C=CC(C)(C)n1cc(C2=C(O)C(=O)C(c3cc4ccccc4n3C(C)(C)C=C)=C(O)C2=O)c2ccccc21 ZINC000085546750 KK Annotated Mild CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)[C@@H](O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085546753 KK Annotated Anodyne CC1=C[C@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085546759 KK Annotated Anodyne in-man COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5c(c(O)c4c3OC)C(=O)C[C@@](C)(O)O5)c2c1 ZINC000085546865 KK Annotated Bother in-man biogenic C=C1C[C@@]2(CC[C@@H](CC[C@@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@H](O)NC(=N)NC)C1 ZINC000085546975 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H](CNC(=N)NC)C1 ZINC000085547024 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H]1C[C@@H]2C=C[C@](O)([C@H](C)O)[C@@H]2C1 ZINC000085547066 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H](O)[C@H](C)O)C1 ZINC000085547070 KK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H]([C@H]3C[C@]4(O)C[C@@H](O)CC[C@H]4CC34CCCC4)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 ZINC000085547074 KK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@@H]([C@@H]3C[C@@H](CCOC)[C@H]4CC[C@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C)C[C@H]1[C@@H]23 ZINC000085547085 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H](CCCO)C1 ZINC000085547094 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H](CNC)C1 ZINC000085547110 KK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@H]([C@@H]3CC[C@H]4CC[C@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)C[C@@H]2CCC[C@@]3(C4CCCCC4)C[C@H]1[C@@H]23 ZINC000085547114 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H]1CCC[C@@H]1Cc1ccc(O)cc1 ZINC000085547118 KK 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@@]23C[C@@H](CNCCC(C)C)C[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C ZINC000085547121 KK 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@]2(C)C[C@H]2CCC[C@@]3(C4CCCCC4)C[C@H]1[C@@H]23 ZINC000085547155 KK 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]1C[C@@]2(C)C1CCCCC1 ZINC000085547158 KK 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@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C1CCCCC1)C1CCCC1 ZINC000085547163 KK Annotated Mild in-vitro biogenic C=C1C[C@@]2(CC[C@H](CCC3(O)CCCCC3)C2)[C@@H]2O[C@@]23C[C@@H](CNCCC(C)C)C[C@@H](C3)[C@@H]2[C@@H]1CC2(C)C ZINC000085547185 KK Annotated Mild in-vitro biogenic CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]43C[C@@H](CCC[C@H](C)NCC(C)C)C[C@H]3[C@@H]2N1 ZINC000085547385 KK Annotated Anodyne in-vitro biogenic CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]43C[C@@H](CCC[C@H](C)CNCCCC(C)C)C[C@H]3[C@@H]2N1 ZINC000085547414 KK Annotated Anodyne in-vitro biogenic CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]43C[C@@H](CCC[C@H](O)CCc4ccccc4)C[C@H]3[C@@H]2N1 ZINC000085547425 KK Annotated Anodyne in-vitro biogenic CNC[C@H]1CC[C@H]2C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@@]43C[C@@H](CCCCCCc4ccccc4)C[C@H]3[C@@H]2N1 ZINC000085547516 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCC[C@H]1C[C@H]2[C@@H]3N[C@@H](CNC)CC[C@H]3C[C@@]34[C@@H](O)C[C@]5(C)CCC[C@@](O)(C5)[C@@H]3C[C@]24C1 ZINC000085547609 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1CCC[C@H]([C@H](c2ccc(C=O)cc2)[C@H]2C[C@@H]([C@@H]3CC[C@H]4[C@@H](O)CC[C@H]4N3)[C@@]3(O)CN23)C1 ZINC000085547684 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1CCC[C@H]([C@H](c2ccc(C=O)cc2)[C@H]2[C@@H]3C=C[C@@H]4N2[C@]4(O)[C@H]3[C@@H]2CC[C@H]3[C@@H](O)CC[C@H]3N2)C1 ZINC000085547688 KK Annotated Anodyne in-vitro biogenic CCO[C@H]1CC[C@@H]2CC[C@@]3(C[C@@H](C)[C@]45CCC(C)=C4C[C@]34[C@]36C=C[C@@]7(C=CC3=CC[C@]54C)[C@H](CCCO)CC[C@@]73CN36)[C@H]2C1 ZINC000085548056 KK Annotated Anodyne in-vitro biogenic CCO[C@@H]1CC[C@H]2CC[C@]3(C[C@@H](C)[C@]45CCC(C)=C4C[C@]34[C@]3(C=CC[C@]54C)C=C[C@@H]4[C@H](CCCO)CC[C@@]45CN53)[C@H]2C1 ZINC000085548063 KK Annotated Anodyne in-vitro biogenic CCCCCCCOCC[C@@H]1CCC[C@@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@]24C=C[C@@]5(C=CC2=CC[C@]31C)[C@H](CCCO)CC[C@]51CN41 ZINC000085548077 KK Annotated Mild in-vitro biogenic CCCCCCCOCC[C@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@@]2(C=CC[C@]31C)C=C[C@H]1[C@H](CCCO)CC[C@]13CN32 ZINC000085548080 KK Annotated Mild in-vitro biogenic CCOCC[C@@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@@]2(C=CC[C@]31C)C=C[C@H]1[C@H](CCCO)CC[C@]13CN32 ZINC000085548214 KK Annotated Anodyne in-vitro biogenic CCOCC[C@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@@H]2C=C[C@@]4(CC#CC[C@@]31C)[C@H](CCCO)CC[C@@]41CN21 ZINC000085548222 KK Annotated Mild in-vitro biogenic CCOCC[C@@]12CCC[C@@]13C[C@@H](C)[C@]14CCC(C)=C1C[C@]31[C@@H](CC2)N2C[C@]23CC[C@H](CCCO)[C@H]3CC#CC[C@@]41C ZINC000085548227 KK Annotated Mild in-vitro biogenic CCOCC[C@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21CN2C[C@@]24CC[C@H](CCCO)[C@H]4CC#CC[C@@]31C ZINC000085548231 KK Annotated Mild in-vitro biogenic CCOCC[C@H]1CCC[C@]12C[C@@H](C)[C@]13CCC(C)=C1C[C@]21[C@]24C=C[C@@]5(C=CC2=CC[C@]31C)[C@@H](CCCO)CC[C@]51CN41 ZINC000085548236 KK Annotated Anodyne in-vitro biogenic CO[C@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2Cl)OC1(C)C ZINC000085548285 KK Annotated Anodyne C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@]2(C[C@@H](C)C=C[C@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000085548855 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1/C=C1\NC(=O)[C@@]2(C[C@H](C)C=C[C@H]2/C=C/c2c(O)cc(CC=C(C)C)c(O)c2C=O)NC1=O ZINC000085548868 KK Annotated Mild CC[C@H](O)[C@@H]1SSC[C@H]2CC3=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC3=O)[C@@]5(C)CCSSC[C@@]3(C2)N=C(N)NC[C@H]3Cc2cc1ccc2CO ZINC000085549182 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@H](CSS[C@@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549186 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@](CO)(Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549189 KK Annotated Reactive in-vitro biogenic CNCc1ccc(CO)c([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC4(CCCCC4)[C@]34N=C(N)NC[C@H]24)c1 ZINC000085549191 KK Annotated Reactive in-vitro biogenic CNCc1ccc(CO)c([C@H]2CC[C@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37N=C(N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 ZINC000085549202 KK Annotated Reactive in-vitro biogenic CNCc1ccc(CO)c(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 ZINC000085549207 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@@]34C[C@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549215 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549220 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]34N=C(N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549227 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@H](Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549241 KK Annotated Reactive in-vitro biogenic CC(C)Cc1ccc(CO)c(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 ZINC000085549247 KK Annotated Reactive in-vitro biogenic CNCc1cccc([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@@H]24)c1 ZINC000085549252 KK Annotated Reactive in-vitro biogenic CNCc1cccc([C@H]2CC[C@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37N=C(N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 ZINC000085549254 KK Annotated Reactive in-vitro biogenic CNCc1cccc([C@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@H]24)c1 ZINC000085549261 KK Annotated Reactive in-vitro biogenic CNCc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 ZINC000085549268 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cccc([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@@H]24)c1 ZINC000085549276 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cccc([C@H]2CC[C@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37N=C(N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 ZINC000085549281 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cccc([C@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@H]24)c1 ZINC000085549286 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@@]34C[C@H](CSSCc5cccc(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549290 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@H](CSSCc5cccc(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549295 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@H](Cc5ccccc5)c5cccc(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549297 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 ZINC000085549303 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 ZINC000085549307 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1cccc(C2CCCCC2)c1 ZINC000085549316 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCC4(CCCC4)CC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549324 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]34N=C(N)NC[C@H]3[C@H](c3ccccc3)C=C[C@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549331 KK Annotated Reactive in-vitro biogenic C[C@]12CCSS[C@@H]3CC[C@H](c4ccccc4)[C@H]4CNC(N)=N[C@]43CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549333 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]34N=C(N)NC[C@@H]3[C@@H](c3ccccc3)CC[C@@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549337 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)N=C(N)NC[C@H]3Cc1ccccc1 ZINC000085549340 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(N)=N3 ZINC000085549344 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 ZINC000085549350 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 ZINC000085549365 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549370 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5[C@H]6CC[C@](CO)(C[C@H]61)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549375 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 ZINC000085549381 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)N=C(N)NC[C@H]3Cc1ccccc1 ZINC000085549384 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549400 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(N)=N3 ZINC000085549404 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](C1CCCC1)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549432 KK Annotated Reactive in-vitro biogenic C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CSSCC[C@]2(C)[C@]31CC4=O)N=C(N)NC[C@H]5Cc1ccccc1 ZINC000085549436 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549439 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 ZINC000085549446 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549450 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@@]52CC4=O)N=C(N)NC[C@H]3Cc1ccccc1 ZINC000085549458 KK Annotated Reactive in-vitro biogenic CCCCCc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 ZINC000085549468 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549475 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 ZINC000085549479 KK Annotated Reactive in-vitro biogenic CCCCCC[C@@H]1[C@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549501 KK Annotated Reactive in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CSSCC[C@]2(C)[C@]31CC4=O)N=C(N)NC[C@H]5Cc1ccccc1 ZINC000085549515 KK Annotated Reactive in-vitro biogenic C[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O ZINC000085549526 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@@]42CC3=O ZINC000085549533 KK Annotated Reactive in-vitro biogenic C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@H](N=C(N)N)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O ZINC000085549537 KK Annotated Reactive in-vitro biogenic C[C@]12CCSSC3(CCCCC3)[C@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@@]42CC3=O ZINC000085549551 KK Annotated Reactive in-vitro biogenic CCCCCC[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549561 KK Annotated Reactive in-vitro biogenic CCCCCC[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@H](N=C(N)N)CSSCC[C@]2(C)[C@]31CC4=O ZINC000085549571 KK Annotated Reactive in-vitro biogenic C=C/C=C(\C)CC[C@H]1C/C=C\C=C(\C)[C@@H](OP(=O)(O)O)CCC/C=C\C=C/C=C/[C@@H](O)[C@@H](C)C(=C)CC(=O)O1 ZINC000085549579 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccc(C)c(C)c2C1=O ZINC000085549694 KK Annotated Mild C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nccs1)C(Cl)(Cl)Cl ZINC000085549733 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@@H]4C[C@@H]5C[C@H]6C[C@@H](NC[C@H](C)O)[C@H](O)C[C@H]6[C@@H]5[C@]4(C)N3)=CC(C)=C2C1 ZINC000085549958 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@@]56[C@@H](C[C@@H]7C[C@H](NC[C@H](C)O)[C@@H](O)C[C@H]75)C[C@@H](CC3)[C@@]6(C)N4)=CC(C)=C2C1 ZINC000085549986 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@]34CC[C@@H]5C[C@H]6C[C@H]7C[C@H](NC[C@H](C)O)[C@H](O)C[C@@H]7[C@@]6(CC3)[C@]5(C)N4)=CC(C)=C2C1 ZINC000085550004 KK Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC2=C(C)C=C([C@@H]3CC[C@@H]4C[C@@H]5C[C@H]6C[C@H](O)[C@@H](O)C[C@@H]6[C@@H]5[C@]4(C)N3)C[C@]2(C)C2(CCCC2)C1 ZINC000085550014 KK Annotated Mild in-vitro biogenic C=C(C)[C@H]1CC2=C(C)C=C([C@@H]3CC[C@@H]4C[C@@H]5C[C@H]6C[C@@H](NC)[C@H](O)C[C@H]6[C@@H]5[C@]4(C)N3)C[C@]2(C)C2(CCCC2)C1 ZINC000085550025 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@]34C=C[C@@]56[C@@H](C[C@@H]7C[C@H](NC)[C@@H](O)C[C@H]75)C[C@@H](CC3)[C@@]6(C)N4)=CC(C)=C2C1 ZINC000085550027 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]2(C)CC([C@]34CC[C@@H]5C[C@H]6C[C@H]7C[C@@H](NC)[C@@H](O)C[C@@H]7[C@@]6(CC3)[C@]5(C)N4)=CC(C)=C2C1 ZINC000085550032 KK 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]6C[C@H](NC7CCCCC7)[C@H](O)C[C@H]6[C@@H]5[C@@]4(C)N3)=CC(C)=C2C1 ZINC000085550036 KK 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]6CC7(CCCC7)[C@H](O)C[C@H]6[C@H]5[C@]4(C)N3)=CC(C)=C2C1 ZINC000085550039 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1CC[C@@]23CC=C[C@@H]4[C@@H]([C@@]5(O)[C@H](CCc6ccccc6)CCC56CCCC6)CC[C@@]42C=CC(C)=C3C1 ZINC000085550084 KK Annotated Mild in-vitro biogenic COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)O[C@@](C)(O)CC3=O ZINC000085550327 KK Annotated Bother in-man biogenic COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc6oc(C)cc(=O)c6c(O)c5c4OC)c2c1)O[C@](C)(O)CC3=O ZINC000085550330 KK Annotated Bother in-man biogenic COc1cc(O)c2c(OC)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc5oc(C)cc(=O)c5c(OC)c4c3O)c2c1 ZINC000085550996 KK Annotated Bother in-man biogenic CCc1ccc(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)c(C(=O)O)c1O ZINC000085551237 KK Annotated Anodyne CC[C@H](C(=O)[C@H](CC)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O ZINC000085551239 KK Annotated Anodyne CC[C@H]1C[C@@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)O[C@@H]1[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O ZINC000085551241 KK Annotated Anodyne CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)[C@@H](C)NC(=O)C2CCCCC2)[C@H](C)[C@@H](O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1 ZINC000085551810 KK Annotated Anodyne C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000085551862 KK Annotated Reactive C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O ZINC000085551878 KK Annotated Reactive C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@@H]1Cl)C3=O ZINC000085551889 KK Annotated Reactive COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000085552202 KK Annotated Mild in-man endogenous CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000085552340 KK Annotated Anodyne Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)[C@]2(C)OO[C@@]1(C)c2cc(O)c(C(=O)O)c(C)c2C(=O)c2c1ccc(C)c2O ZINC000085552414 KK Annotated Reactive C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C ZINC000085552605 KK Annotated Mild COC1=C(O)C(=O)C(C)=C(C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000085552749 KK Annotated Mild in-man endogenous C=C1CC[C@H](C/C=C(\C)CO)C(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=C/[C@@H]1C(=C)CC[C@H](C/C=C(\C)CO)C1(C)C ZINC000085553735 KK Annotated Mild CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O[C@@H]2C[C@@H](O)[C@H](O)[C@H](C)O2)/C=C/[C@H](C)C[C@H]1C ZINC000085555371 KK Annotated Anodyne C=CC(C)(C)n1cc(C2=C(OC)C(=O)C(c3cc4ccccc4n3C(C)(C)C=C)=C(OC)C2=O)c2ccccc21 ZINC000085557984 KK Annotated Mild CC1=C[C@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085558024 KK Annotated Anodyne C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)N[C@H](C)c1nccs1)C(Cl)(Cl)Cl ZINC000085558658 KK Annotated Anodyne C[C@@H](CC(=O)N(C)[C@H](C[C@H](C)C(Cl)(Cl)Cl)C(=O)NCc1nccs1)C(Cl)(Cl)Cl ZINC000085558661 KK Annotated Anodyne C/C=C(\C)c1c(Br)c(OCC=C(C)C)c(C)c2c1Oc1c(C=O)c(OC)c(Br)c(/C(C)=C/C)c1C(=O)O2 ZINC000085559466 KK Annotated Anodyne C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c([nH]c6cc7c(cc56)[C@@H](O)[C@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)C2=C[C@H]1O ZINC000085559986 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000085561055 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC=C(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000085561061 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C[C@H]1OC1(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000085561066 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCC(=O)O[C@H](C[C@H]1OC1(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000085561073 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCC(=O)O[C@@H](C[C@@H]1OC1(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000085561079 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCC(=O)O[C@H](C[C@@H]1OC1(C)C)/C(C)=C/COc1ccc(CCNC(=O)c2ccccc2)cc1 ZINC000085561085 KK Annotated Mild in-man endogenous CC[C@@H]1/C=C/C=C/C[C@H](C)[C@@H](O)[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)/C=C/C(=O)O[C@@H]2C[C@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)O[C@H](CC1)[C@@H]2C ZINC000085561127 KK Annotated Anodyne C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6ccc7c8c6c5[C@@H](OC(C)(C)[C@H]5C[C@H](C(=C)C7)[C@]85O)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O ZINC000085561484 KK Annotated Mild C=C1Cc2c(Cl)cc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000085561489 KK Annotated Mild C=C1Cc2ccc3[nH]c4c5c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O[C@H]5[C@@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@H](C(=C)C)O[C@H]3CC[C@]2(C)[C@@]41C ZINC000085561491 KK Annotated Mild COc1cc2oc(=O)ccc2cc1[C@@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085561862 KK Annotated Bother COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(OC)cc2c(c1O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085561868 KK Annotated Bother in-man COc1cc2oc(=O)ccc2cc1[C@@H](C=C(C)C)c1c(OC)cc2c(c1O)c(=O)c1ccc(OC)c(OC)c1n2C ZINC000085561875 KK Annotated Bother in-man COc1cc2oc(=O)ccc2cc1[C@@H](C=C(C)C)c1c(OC)cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c1O ZINC000085561887 KK Annotated Bother COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(O)cc2c(c1O)c(=O)c1ccc(O)c(OC)c1n2C ZINC000085561895 KK Annotated Bother COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(OC)cc2c(c1O)c(=O)c1ccc(O)c(OC)c1n2C ZINC000085561906 KK Annotated Bother COc1cc2oc(=O)ccc2cc1[C@H](C=C(C)C)c1c(OC)cc2[nH]c3c(OC)c(O)ccc3c(=O)c2c1O ZINC000085561919 KK Annotated Bother CC(=O)c1c(O)c(CC=C(C)C)c(O)c(C(CC(C)C)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c1O ZINC000085562051 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@@]2(C=CC[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000085562324 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=CC[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000085562332 KK Annotated Anodyne COc1cc2c(C)c3c(cc2c2cc(O)c(C)cc12)O[C@H]1c2c(cc(O)c4cc(C)c(O)cc24)C(C)(C)C(=O)[C@@]1(OC)O3 ZINC000085562520 KK Annotated Bother COc1cc2c(C)c3c(cc2c2cc(O)c(C)cc12)O[C@H]1c2c(cc(O)c4cc(C)c(O)cc24)C(C)(C)C(=O)[C@]1(OC)O3 ZINC000085562527 KK 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=C/C2=C(C)C(=O)[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000085566023 KK Annotated Mild CC[C@@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)C(C)C)c2O)c1O ZINC000085566807 KK Annotated Anodyne CC[C@@H](C)C(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c(O)c(Cc2c(O)c(C)c(OC)c(C(C)=O)c2O)c1O ZINC000085566816 KK Annotated Anodyne CO/C(C)=C/C(=O)N(C)C/C=C/CC/C=C\C=C/C[C@H](C)c1nc(C[C@H](C)[C@@H]2OC(=O)c3c(ccc(C)c3O)[C@H]2O)co1 ZINC000085567008 KK Annotated Anodyne C=C(C/C=C\C=C/CC/C=C/CN(C)C(=O)/C=C(\C)OC)c1nc(C[C@H](C)[C@@H]2OC(=O)c3c(ccc(C)c3O)[C@H]2O)co1 ZINC000085567016 KK Annotated Mild C=C(/C=C/C=C(/CO)[C@H]1[C@@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4cccc5c4CC(=O)N[C@@H]5N)[C@@H](CCCO)[C@]3(C2)[C@@H]1O)CCC=C(C)C ZINC000085567073 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1[C@@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)[C@@H](CCCO)[C@]3(C2)[C@@H]1O)CCC=C(C)C ZINC000085567082 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4cccc5c4CC(=O)N[C@H]5N)[C@@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C ZINC000085567088 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)[C@@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C ZINC000085567093 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C ZINC000085567098 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C3=C(\C)C(=O)Cc4cccc(C(N)N)c4CC#C[C@H]3C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C ZINC000085567107 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1[C@@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4cccc(C(N)N)c4)[C@@H](CCCO)[C@]3(C2)[C@@H]1O)CCC=C(C)C ZINC000085567126 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CCC[C@@]3(O)CC/C(=C(/C)C(=O)Cc4ccc(O)cc4)[C@@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C ZINC000085567150 KK Annotated Mild in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1[C@@H]2CCC[C@@]3(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@]3(C2)[C@@H]1O)CCC=C(C)C ZINC000085567174 KK Annotated Reactive in-vitro biogenic C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CCC[C@@]3(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C ZINC000085567181 KK Annotated Reactive in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2CC[C@](C)(C3CCCC3)c3ccccc32)c1)CO4 ZINC000085567373 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@H](CO)[C@H]3CCC(C)(C)c4ccccc43)c2)CO5)CCCCC1 ZINC000085567377 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2c3ccccc3[C@@]3(C)CCC[C@@H]2C3)c1)CO4 ZINC000085567379 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@H]2CCC(C)(C)c3ccccc32)c1)CO4 ZINC000085567383 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2c3ccccc3[C@@]3(C)CC=C[C@@H]2C3)c1)CO4 ZINC000085567385 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@H]2CCC(C)(C)c3ccccc32)c1)CO4 ZINC000085567387 KK Annotated Anodyne in-vitro biogenic CCC[C@@]1(C)CC[C@@H]([C@H](CO)COc2cc([C@@H]3COc4cc5c6c(c4[C@H]3O)CCc3c(OC)cc(OCNCC)c(c3-6)[C@@H](O)N5)cc(OC)c2O)c2ccccc21 ZINC000085567388 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)C2(c3ccccc3)C[C@@H]3C=c5ccccc5=C[C@@H]3C2)c1)CO4 ZINC000085567391 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@]2(c3ccccc3)CCC3(CCCC3)C2)c1)CO4 ZINC000085567393 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2C(C)(C)CO)c1)CO4 ZINC000085567395 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@@]23CCC[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000085567398 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2[C@H](C)C2CCCC2)c1)CO4 ZINC000085567401 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@]23CCCC[C@@H]2C=Cc2ccccc23)c1)CO4 ZINC000085567404 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)[C@]23CCC[C@H]2CCc2ccccc23)c1)CO4 ZINC000085567406 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]2(c3ccccc3)CCCC[C@@H]2CC=O)c1)CO4 ZINC000085567407 KK Annotated Mild in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCC3(CCCC3)CC2)c1)CO4 ZINC000085567408 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)[C@@]23CCCC[C@@H]2CCc2ccccc23)c1)CO4 ZINC000085567410 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@H](CO)C3(c4ccccc4)CCCCC3)c2)CO5)CCCCC1 ZINC000085567412 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@@H](CO)C3(c4ccccc4)CCCC3)c2)CO5)CCCCC1 ZINC000085567415 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCCCC2)c1)CO4 ZINC000085567418 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)C2(c3ccccc3)CCCC2)c1)CO4 ZINC000085567421 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC[C@H](CO)Cc3ccccc3C(C)C)c2)CO5)CCCCC1 ZINC000085567425 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OCCNC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2C(C)C)c1)CO4 ZINC000085567428 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)C2(c3ccccc3)CCCCC2)c1)CO4 ZINC000085567430 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@@H](CO)C2(c3ccccc3)CCCC2)c1)CO4 ZINC000085567432 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC[C@H](CO)Cc2ccccc2C(C)C)c1)CO4 ZINC000085567434 KK Annotated Anodyne in-vitro biogenic CCC[C@H](C)c1ccccc1C[C@H](CO)COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(OCNCC)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567439 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36CCCC[C@H]3CC[C@@H](C)N6)c(c2-5)[C@@H](O)N4)cc(OCCCO)c1O ZINC000085567446 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc(O[C@]23CCCC[C@H]2CC[C@@H](C)N3)c2c3c1CCc1c-3c(cc3c1[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3)N[C@@H]2O ZINC000085567448 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@H](C)N6)c(c2-5)[C@H](O)N4)cc(OCCCO)c1O ZINC000085567450 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(OC36NC7(C)C=C[C@@H]3CCC[C@@H]6C=C7)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567452 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36N[C@]7(C)C=C[C@H]3CCC[C@H]6CC7)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567453 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@]36CCCC[C@H]3CC[C@@H](C)N6)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567455 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCC[C@@H](CCC(C)C)[C@@H]3CC[C@H](C)N6)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567457 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc(O[C@@]23CCCC[C@@H]2C=C[C@H](C)N3)c2c3c1CCc1c-3c(cc3c1[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3)N[C@H]2O ZINC000085567460 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@H](C)N6)c(c2-5)[C@H](O)N4)cc(OC)c1O ZINC000085567464 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36C[C@@H](CCC(C)C)CC[C@@H]3C=C[C@H](C)N6)c(c2-5)[C@@H](O)N4)cc(OC)c1O ZINC000085567465 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O[C@@]36CCCC[C@@H]3C=C[C@@H](C)N6)c(c2-5)[C@H](O)N4)cc(OC2CCCC2)c1O ZINC000085567468 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OCCCO)c2)CO5)CCCCC1 ZINC000085567470 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OCCNC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567484 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567487 KK Annotated Anodyne in-vitro biogenic CCN[C@]1(Oc2cc(OC)c3c4c2[C@@H](O)Nc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCC[C@H](CCC(C)C)C1 ZINC000085567489 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](O)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567499 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@H](CNC1CCCCC1)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO4 ZINC000085567502 KK Annotated Anodyne in-vitro biogenic CCCCCCNCCOc1cc(OCNCC)c2c3c1CCc1c-3c(cc3c1[C@@H](O)[C@H](c1cc(OC)c(O)c(OC)c1)CO3)N[C@@H]2O ZINC000085567516 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)c(c2-5)[C@@H](O)N4)cc(OC2CCCC2)c1O ZINC000085567525 KK Annotated Clean in-vitro biogenic CCNCOc1cc(OC)c2c3c1[C@@H](CNC)Nc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567528 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c4c2CNc2cc5c(c(c2-4)CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO5)CCCCC1 ZINC000085567542 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c3c1CNc1cc4c(c(c1-3)CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO4 ZINC000085567555 KK Annotated Anodyne in-vitro biogenic CCNC1(Oc2cc(OC)c3c(c2)-c2c(O)cc4c(c2CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO4)CCCCC1 ZINC000085567560 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c(c1)-c1c(O)cc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO3 ZINC000085567570 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)c(c2-5)CN4)cc(OC)c1O ZINC000085567573 KK Annotated Clean in-vitro biogenic CCNC1(Oc2cc(OC)c3c(c2)-c2ccc4c(c2CC3)[C@@H](O)[C@H](c2cc(OC)c(O)c(OC)c2)CO4)CCCCC1 ZINC000085567592 KK Annotated Anodyne in-vitro biogenic CCNCOc1cc(OC)c2c(c1)-c1ccc3c(c1CC2)[C@@H](O)[C@H](c1cc(OC)c(O)c(OC2CCCC2)c1)CO3 ZINC000085567611 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3cc4c5c(c3[C@H]2O)CCc2c(OC)cc(O)c(c2-5)CN4)cc(OC2CCCC2)c1O ZINC000085567618 KK Annotated Clean in-vitro biogenic COc1cc([C@@H]2COc3cc(O)c4c(c3[C@H]2O)CCc2c(OC)cc(O)cc2-4)cc(OC2CCCC2)c1O ZINC000085567622 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3ccc4c(c3[C@H]2O)CCc2c(OCc3cccc(CO)c3)cc(O)cc2-4)cc(OC)c1O ZINC000085567625 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2COc3ccc4c(c3[C@H]2O)CCc2c(OC)cc(O)cc2-4)cc(OC2CCCC2)c1O ZINC000085567640 KK Annotated Anodyne in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(CCO)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O ZINC000085567643 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C=CC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O ZINC000085567646 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c1O ZINC000085567650 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@H](CC[C@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)c1O ZINC000085567653 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]3CC[C@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H](C)CCSS3)[C@H]2O)c1O ZINC000085567655 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c1O ZINC000085567659 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O ZINC000085567662 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c1O ZINC000085567664 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@H]4SS[C@H]5C=CC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O ZINC000085567665 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c(O)c(OC)c1O ZINC000085567669 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c1O ZINC000085567672 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c(O)c(OC)c1O ZINC000085567673 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O ZINC000085567676 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc2c1CC#C[C@H]1SSCC[C@@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 ZINC000085567679 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]3CC[C@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O ZINC000085567682 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)c(O)c(OC)c1O ZINC000085567684 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)c(O)c(OC)c1O ZINC000085567687 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5Cc6c(c(OCCO)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)c1O ZINC000085567688 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O ZINC000085567690 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@@H]3CCC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c1O ZINC000085567692 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@H](CC[C@@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 ZINC000085567694 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCCC2)cc2c1CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 ZINC000085567695 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@@H]3C=CC[C@@H](CC[C@@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 ZINC000085567697 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c1O ZINC000085567702 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 ZINC000085567706 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O ZINC000085567710 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 ZINC000085567711 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5Cc6c(c(OCCO)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O ZINC000085567714 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@@H](C)CCSS[C@H]1CC[C@@](c5cc(OCCC(C)C)c(O)c(OC)c5O)(O2)[C@H](O)[C@@H]31)C4 ZINC000085567716 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)cc(OC)c1O ZINC000085567718 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O ZINC000085567720 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H]1CCC[C@H](C1)SSC[C@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 ZINC000085567721 KK Annotated Reactive in-vitro biogenic COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O ZINC000085567724 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O ZINC000085567726 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H]1CC=C[C@H](C1)SSC[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 ZINC000085567729 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)cc(OC)c1O ZINC000085567732 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000085567734 KK Annotated Anodyne in-man COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC2CCCCC2)c1O ZINC000085567735 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000085567736 KK Annotated Anodyne in-man endogenous COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c(O)c(OC)c1O ZINC000085567738 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)cc(OC)c1O ZINC000085567741 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 ZINC000085567745 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC)c1O ZINC000085567747 KK Annotated Reactive in-vitro biogenic CC1=C[C@H](c2c(O)cc(O)c3c(=O)c(CCC(C)(C)O)c(-c4ccc(O)cc4O)oc23)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085567748 KK Annotated Anodyne COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O ZINC000085567750 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@@H]5Cc6c(c(OC)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O ZINC000085567753 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085567755 KK Annotated Anodyne in-man endogenous COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3Cc4c(c(OCCO)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 ZINC000085567757 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085567758 KK Annotated Anodyne in-man COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O ZINC000085567759 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085567761 KK Annotated Anodyne in-man endogenous COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OCCC(C)C)c(O)c5OC)[C@H](O2)[C@H](O)[C@H]31)C4 ZINC000085567762 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2)C4 ZINC000085567767 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O ZINC000085567769 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OCCC(C)C)c1O ZINC000085567772 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c(O)c(OC)c1O ZINC000085567776 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(/C=C/[C@@]3(C)CC(C)=C[C@H](c4c(O)cc(O)c5c(=O)c(CC=C(C)C)c(-c6ccc(O)cc6O)oc45)C3)c(O)cc(O)c2c1=O ZINC000085567777 KK Annotated Anodyne in-man COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OC3CCCC3)c(O)c(OC)c1O)O2)C4 ZINC000085567778 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(/C=C/[C@@]3(C)CC(C)=C[C@@H](c4c(O)cc(O)c5c(=O)c(CC=C(C)C)c(-c6ccc(O)cc6O)oc45)C3)c(O)cc(O)c2c1=O ZINC000085567779 KK Annotated Anodyne in-man COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5Cc6c(c(OCCO)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O ZINC000085567780 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OC6CCCCC6)c(O)c5OC)[C@H](O2)[C@H](O)[C@H]31)C4 ZINC000085567782 KK Annotated Reactive in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(/C=C/[C@]3(C)CC(C)=C[C@H](c4c(O)cc(O)c5c(=O)c(CC=C(C)C)c(-c6ccc(O)cc6O)oc45)C3)c(O)cc(O)c2c1=O ZINC000085567783 KK Annotated Anodyne in-man CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c(/C=C/[C@]3(C)CC(C)=C[C@@H](c4c(O)cc(O)c5c(=O)c(CC=C(C)C)c(-c6ccc(O)cc6O)oc45)C3)c(O)cc(O)c2c1=O ZINC000085567785 KK Annotated Anodyne in-man COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@@H]3CCC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O ZINC000085567787 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O ZINC000085567788 KK Annotated Reactive in-vitro biogenic COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3Cc4c(c(OC)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 ZINC000085567791 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O ZINC000085567793 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC)c1O ZINC000085567797 KK Annotated Reactive in-vitro biogenic COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OC6CCCC6)c(O)c5OC)[C@H](O2)[C@H](O)[C@H]31)C4 ZINC000085567799 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OCCC(C)C)c1O ZINC000085567801 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCC2)c1O ZINC000085567803 KK Annotated Reactive in-vitro biogenic COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@@H]5Cc6c(c(OC)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O ZINC000085567808 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O ZINC000085567811 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O ZINC000085567816 KK Annotated Reactive in-vitro biogenic COc1cc2c(c3c1-c1ccc(O)cc1[C@H](CCC(C)C)C3)C[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 ZINC000085567818 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O ZINC000085567820 KK Annotated Reactive in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC)c1O ZINC000085567824 KK Annotated Reactive in-vitro biogenic Cc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1O[C@]3(c1ccc(O)cc1O)Oc1cc(O)ccc1-2 ZINC000085567825 KK Annotated Anodyne in-man endogenous CCCCC[C@@H]1c2c(cc(OCCO)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OC)c2O)[C@@H]1O ZINC000085567828 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCC2)c1O ZINC000085567833 KK Annotated Reactive in-vitro biogenic CCCCC[C@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OCCC(C)C)c(O)c(OC)c2O)[C@@H]1O ZINC000085567836 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1ccc(O)cc1[C@H](CCC(C)C)C3)C[C@@H](O)[C@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2 ZINC000085567837 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)c(O)c(OC)c1O ZINC000085567840 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC3CCCCC3)c(O)c(OC)c2O)[C@@H]1O ZINC000085567842 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1ccc(O)cc1[C@@H](CCC(C)C)C3)C[C@@H](O)[C@H](c1cc(OC3CCCC3)c(O)c(OC)c1O)O2 ZINC000085567845 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OC)c2O)[C@@H]1O ZINC000085567846 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC3CCCC3)c(O)c(OC)c2O)[C@@H]1O ZINC000085567849 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)[C@H](Cc2ccccc2)Cc2cc(O)ccc2-4)c(O)c(OC)c1O ZINC000085567854 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)cc(OC)c1O ZINC000085567857 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1ccc(O)cc1CC3)C[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 ZINC000085567860 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)cc(OCCC(C)C)c1O ZINC000085567862 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1c2c(cc(OCCO)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1O ZINC000085567866 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OCCC(C)C)c2)[C@@H]1O ZINC000085567868 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1ccc(O)cc1CC3)C[C@@H](O)[C@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2 ZINC000085567870 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)cc(OC2CCCCC2)c1O ZINC000085567873 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)cc(OC)c1O ZINC000085567876 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@H](CCC(C)C)c2cc(O)ccc2-4)cc(OC2CCCC2)c1O ZINC000085567879 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OC3CCCCC3)c2)[C@@H]1O ZINC000085567883 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1O ZINC000085567887 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1c2c(cc(OC)c3c2CCc2cc(O)ccc2-3)O[C@@H](c2cc(OC)c(O)c(OC3CCCC3)c2)[C@@H]1O ZINC000085567890 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CC2(CCCC2)c2cc(O)ccc2-4)cc(OC)c1O ZINC000085567893 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)[C@@H](Cc2ccccc2)Cc2cc(O)ccc2-4)cc(OC)c1O ZINC000085567896 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(OCCC(C)C)c1O ZINC000085567902 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(OC2CCCCC2)c1O ZINC000085567905 KK Annotated Anodyne in-vitro biogenic CNCO[C@]1(CNCNC[C@@](C)(O)CC(C)C)Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000085567907 KK Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNCCCc1ccccc1)=C2 ZINC000085567939 KK Annotated Mild in-vitro biogenic CNCO[C@]1(CNCCCc2ccccc2)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCCO)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085567960 KK Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C(CNC)=C2 ZINC000085567963 KK Annotated Mild in-vitro biogenic CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@@H](CO)CC5)O[C@H](c2ccc(O)c(OC)c2)[C@H](OCNC2CCCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000085567971 KK Annotated Mild in-vitro biogenic CNCC1=Cc2c(O)ccc3c2[C@H](Cc2c4c(c5c(c2-3)O[C@@H](CO)CC5)O[C@H](c2ccc(O)c(OC)c2)[C@H](OCNC2CCCC2)C4)[C@H]1c1ccc2c(c1)=C[CH+]N=2 ZINC000085567978 KK Annotated Mild in-vitro biogenic CNC[C@@]1(OCNC2CCCCC2)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCCO)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085567981 KK Annotated Mild in-vitro biogenic CNCO[C@]1(CNC)Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@@H](CO)O4)-c1ccc(O)cc1[C@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085567997 KK Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)c2c1[C@H](C3)[C@@H](c1ccc3c(c1)=C[CH+]N=3)C=C2 ZINC000085568000 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2OCNC2CCCCC2)cc(CCCO)c1O ZINC000085568005 KK Annotated Mild in-vitro biogenic CNC[C@@]1(OCNC2CCCCC2)Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085568013 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)c5c3[C@H](C4)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C=C5)C[C@H]2OCNC2CCCCC2)ccc1O ZINC000085568019 KK Annotated Mild in-vitro biogenic CNC[C@@]1(OCNC2CCCC2)Cc2c3c(c4c(c2O[C@@H]1c1ccc(O)c(OC)c1)CC[C@H](CO)O4)-c1ccc(O)cc1[C@@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085568021 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)c5c3[C@H](C4)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C=C5)C[C@H]2OCNC2CCCC2)ccc1O ZINC000085568026 KK Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c3c(c4c(c2O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1)CC[C@@H](CO)O4)-c1ccc(O)cc1[C@H](Cc1ccc2c(c1)=C[CH+]N=2)C3 ZINC000085568033 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2OCNC2CCCCC2)ccc1O ZINC000085568047 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2OCNC2CCCC2)ccc1O ZINC000085568049 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CC[C@H](CO)O5)-c3ccc(O)cc3[C@@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2O)cc(CCc2ccccc2)c1O ZINC000085568076 KK Annotated Mild in-vitro biogenic CNCO[C@@H]1Cc2c(cc(OCCO)c3c2C[C@@H](Cc2ccc4c(c2)=C[CH+]N=4)c2cc(O)ccc2-3)O[C@@H]1c1cc(CCc2ccccc2)c(O)c(OC)c1 ZINC000085568090 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2OCNC2CCCCC2)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)ccc1O ZINC000085568102 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2OCNC2CCCC2)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)ccc1O ZINC000085568106 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568127 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CCCO5)-c3ccc(O)c5c3[C@H](C4)[C@@H](c3ccc4c(c3)=C[CH+]N=4)C=C5)C[C@H]2O)ccc1O ZINC000085568136 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H](C[C@H](C)C1=C2C[C@H](O)[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]43C)[C@]2(C)CC1)[C@H]1OC1(C)C ZINC000085568140 KK Annotated Anodyne COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)[C@@H](CC[n+]2cc[nH]c2)Cc2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568141 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(c4c(c5c3CCCO5)-c3ccc(O)cc3[C@H](Cc3ccc5c(c3)=C[CH+]N=5)C4)C[C@H]2O)cc(CCc2ccccc2)c1O ZINC000085568144 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)C[C@@H](Cc2ccc3c(c2)=C[CH+]N=3)c2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568180 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)[C@H](CC[n+]2cc[nH]c2)Cc2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568204 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3cc(OCCO)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568207 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)[C@H](CC2([n+]3cc[nH]c3)CCCC2)Cc2cc(O)ccc2-4)ccc1O ZINC000085568208 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3cc(OC)c4c(c3C[C@H]2O)CCc2cc(O)ccc2-4)cc(CCc2ccccc2)c1O ZINC000085568233 KK Annotated Anodyne in-vitro biogenic CNC[C@@H]1Oc2c(O)cc3c(c2C=C[C@@H]1NC1CCCCC1)[C@H]1Oc2c(ccc4c2[C@@]2(CC[C@@H](Cc5ccc(N)nc5C#CC3)C2)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000085568238 KK Annotated Mild in-vitro biogenic CNC[C@@H]1Oc2c(O)cc3c(c2C=C[C@@H]1NC)[C@H]1Oc2c(ccc4c2[C@]2(CC[C@@H](Cc5ccc(N)nc5C#CC3)C2)Cc2cc(O)cc(OCO)c2-4)[C@@H]1COC(C)=O ZINC000085568240 KK Annotated Mild in-vitro biogenic CNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@H](NC)[C@H](CNC)O2 ZINC000085568242 KK Annotated Mild in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@@H](NC1CCCCC1)CO2)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc2cc(O)cc(OCO)c2-3)C1 ZINC000085568244 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H](N[C@@H]3CCCC4(CCCC4)C3)CO6)C1)C2 ZINC000085568245 KK Annotated Mild in-vitro biogenic CNC[C@@H]1Oc2c(O)cc3c(c2C=C[C@@H]1NCCC(C)C)[C@H]1Oc2c(ccc4c2[C@]2(CC[C@@H](Cc5ccc(N)nc5C#CC3)C2)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000085568248 KK Annotated Mild in-vitro biogenic CNC[C@H]1Oc2c(O)cc3c(c2C=C[C@@H]1NC)[C@H]1Oc2c(ccc4c2[C@@]2(CC[C@@H](Cc5ccc(N)nc5C#CC3)C2)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000085568251 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@H](NC)[C@H](CNC)O3 ZINC000085568255 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H](NC1CCCCC1)CO3 ZINC000085568258 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H](NC3CCCCC3)CO6)C1)C2 ZINC000085568260 KK Annotated Mild in-vitro biogenic CN[C@@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@H](Cc6ccc(N)nc6C#CC3)C4)Cc3cc(O)cc(OCO)c3-5)[C@@H]2COC(C)=O)OC1 ZINC000085568264 KK Annotated Mild in-vitro biogenic CCNc1ccccc1C[C@@H]1C=Cc2cc(N)nc3c2[C@@H]1[C@@H]1CC[C@@]2(Cc4cc(O)cc(OC)c4-c4ccc5c(c42)O[C@H](c2cc(OC)c(O)cc2CC#C3)[C@H]5COC(C)=O)C1 ZINC000085568265 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OC)cc2[C@H]2Oc3c(ccc4c3[C@@]3(CC[C@H]1C3)Cc1cc(O)cc(OCO)c1-4)[C@@H]2COC(C)=O ZINC000085568267 KK Annotated Mild in-vitro biogenic CNC[C@H](CNC1CCCCC1)Oc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568269 KK Annotated Mild in-vitro biogenic CNC[C@H](CNC1CCCC1)Oc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568272 KK Annotated Mild in-vitro biogenic CNCc1c(O)c(OC(CNC)CNC)cc2c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568274 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H](NCCC(C)C)CO6)C1)C2 ZINC000085568276 KK Annotated Mild in-vitro biogenic CN[C@@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@@]4(CC[C@@H](C4)[C@H](CCc4ccccc4)c4ccc(N)nc4C#CC3)Cc3cc(O)cc(OC)c3-5)[C@@H]2COC(C)=O)OC1 ZINC000085568277 KK Annotated Mild in-vitro biogenic CN[C@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@]4(CC[C@H](Cc6ccc(N)nc6C#CC3)C4)Cc3cc(O)cc(OC)c3-5)[C@@H]2COC(C)=O)OC1 ZINC000085568279 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2cc(CC)c(N)nc2C#CCc2cc(O)c(OC)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000085568281 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H](NC)CO3 ZINC000085568285 KK Annotated Mild in-vitro biogenic CCNc1ccccc1CC[C@H]1c2ccc(N)nc2C#CCc2cc(O)c(OC)cc2[C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]1C3)Cc1cc(O)cc(OC)c1-4)[C@@H]2COC(C)=O ZINC000085568287 KK Annotated Mild in-vitro biogenic CNC[C@H](CNCCC(C)C)Oc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568290 KK Annotated Mild in-vitro biogenic CNCC(CNC)Oc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CCc1ccccc1)[C@@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568294 KK Annotated Mild in-vitro biogenic CNCC(CNC)Oc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568297 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c(OC(CNC)CNC)cc1[C@H]1Oc3c(ccc4c3[C@@]3(CC[C@H](C2)C3)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000085568302 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@]1(CC[C@@H](Cc5ccc(N)nc5C#CCc5cc(O)c(OCCNC6CCCCC6)cc5[C@@H](O4)[C@H]3COC(C)=O)C1)C2 ZINC000085568304 KK Annotated Mild in-vitro biogenic CNCCOc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OCO)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568310 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@]1(CC[C@@H](Cc5ccc(N)nc5C#CCc5cc(O)c(OCCNC6CCCC6)cc5[C@@H](O4)[C@H]3COC(C)=O)C1)C2 ZINC000085568312 KK Annotated Mild in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c(OCCNCCC(C)C)cc5[C@@H](O4)[C@H]3COC(C)=O)C1)C2 ZINC000085568314 KK Annotated Mild in-vitro biogenic CNCCOc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CCc1ccccc1)[C@@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568316 KK Annotated Mild in-vitro biogenic CNCCOc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568320 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c(OCCNC)cc1[C@H]1Oc3c(ccc4c3[C@@]3(CC[C@H](C2)C3)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000085568323 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)cc3c1[C@@H]([C@@H](Cc1ccccc1)C=C3)[C@@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568324 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c(OC)cc1[C@H]1Oc3c(ccc4c3[C@@]3(CC[C@H](C2)C3)Cc2cc(O)cc(OCO)c2-4)[C@@H]1COC(C)=O ZINC000085568327 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OCO)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568330 KK Annotated Mild in-vitro biogenic CCc1cc2c(nc1N)C#CCc1cc(O)c(OC)cc1[C@H]1Oc3c(ccc4c3[C@]3(CC[C@H](C3)[C@H]2CCc2ccccc2)Cc2cc(O)cc(OC)c2-4)[C@@H]1COC(C)=O ZINC000085568332 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CC1(c3ccccc3)CCCC1)[C@@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568335 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1[C@H](CCc1ccccc1)[C@@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568338 KK Annotated Mild in-vitro biogenic CN[C@H]1C=Cc2c([C@H]3Oc4c(ccc5c4[C@]4(CC[C@H](Cc6ccc(N)nc6)C4)Cc4cc(O)cc(OC)c4-5)[C@@H]3COC(C)=O)ccc(O)c2OC1 ZINC000085568341 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568344 KK Annotated Mild in-vitro biogenic CNCC(CNC)Oc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568349 KK Annotated Anodyne in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c(c1[C@@]1(CC[C@@H](Cc4ccc(N)nc4)C1)C2)O[C@H](c1ccc(O)c(OCCNC2CCCCC2)c1)[C@H]3COC(C)=O ZINC000085568351 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568355 KK Annotated Anodyne in-vitro biogenic CC(=O)OC[C@H]1c2ccc3c(c2O[C@@H]1c1ccc(O)c(OCO)c1)[C@@]1(CC[C@@H](Cc2ccc(N)nc2)C1)Cc1cc(O)cc(OCO)c1-3 ZINC000085568358 KK Annotated Anodyne in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c(c1[C@@]1(CC[C@@H](Cc4ccc(N)nc4)C1)C2)O[C@H](c1ccc(O)c(OCCNC2CCCC2)c1)[C@H]3COC(C)=O ZINC000085568360 KK Annotated Anodyne in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c(c1[C@]1(CC[C@@H](Cc4ccc(N)nc4)C1)C2)O[C@H](c1ccc(O)c(OCCNCCC(C)C)c1)[C@H]3COC(C)=O ZINC000085568364 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H]([C@H](CCc5ccccc5)c5ccc(N)nc5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568367 KK Annotated Anodyne in-vitro biogenic CCc1cc(C[C@H]2CC[C@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H](c3ccc(O)c(OCCNC)c3)[C@H]5COC(C)=O)C2)cnc1N ZINC000085568371 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568374 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H]([C@H](CCc5ccccc5)c5ccc(N)nc5)C3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568377 KK Annotated Anodyne in-vitro biogenic CCc1cc(C[C@@H]2CC[C@]3(Cc4cc(O)cc(OCO)c4-c4ccc5c(c43)O[C@H](c3ccc(O)c(OC)c3)[C@H]5COC(C)=O)C2)cnc1N ZINC000085568380 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568383 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3[C@]3(CC[C@@H]([C@H](CCc5ccccc5)c5ccc(N)nc5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568384 KK Annotated Anodyne in-vitro biogenic CCc1cc(C[C@@H]2CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H](c3ccc(O)c(OC)c3)[C@H]5COC(C)=O)C2)cnc1N ZINC000085568387 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3[C@@]3(CC[C@@H](Cc5ccc(N)nc5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568392 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cc(CO)ccc2CO)cc1O ZINC000085568395 KK Annotated Anodyne in-vitro biogenic CN[C@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@@H](CSSC3)Cc3cc(O)cc(OC)c3-5)[C@@H]2COC(C)=O)OC1 ZINC000085568397 KK Annotated Reactive in-vitro biogenic CNCCOc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568400 KK Annotated Anodyne in-vitro biogenic CNCC(CNC)Oc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O ZINC000085568401 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568402 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3C[C@@H](CCO)c3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568405 KK Annotated Anodyne in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNC5CCCCC5)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 ZINC000085568408 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@@H](c2cccc(CO)c2)C2CCCCC2)cc1O ZINC000085568410 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@H]1CCO ZINC000085568413 KK Annotated Reactive in-vitro biogenic COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNC5CCCC5)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 ZINC000085568415 KK Annotated Reactive in-vitro biogenic CNCCOc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O ZINC000085568418 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@H](C)c2cccc(CO)c2)cc1O ZINC000085568421 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O ZINC000085568423 KK Annotated Reactive in-vitro biogenic COc1cc2c(cc1O)CSSC[C@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 ZINC000085568427 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CN[C@@H](c2cccc(CO)c2)C2CCCC2)cc1O ZINC000085568429 KK Annotated Anodyne in-vitro biogenic CNCCOc1cc([C@H]2Oc3c(ccc4c3C3(CCCC3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568431 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@H]1CCO ZINC000085568433 KK Annotated Reactive in-vitro biogenic COc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O ZINC000085568438 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3C3(CCCC3)Cc3cc(O)cc(OCO)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568439 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3[C@]3(CCC5(CCCC5)C3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568444 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CNCC2CCCCC2)cc1O ZINC000085568450 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O ZINC000085568454 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3C3(CCCC3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568456 KK Annotated Anodyne in-vitro biogenic CCNCc1cc(O)c(OC)cc1[C@H]1Oc2c(ccc3c2[C@@H](Cc2ccccc2)Cc2cc(O)cc(OC)c2-3)[C@@H]1COC(C)=O ZINC000085568459 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3CCc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)c(CNCC2CCCC2)cc1O ZINC000085568471 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(ccc4c3[C@@H](Cc3ccccc3)Cc3cc(O)cc(OC)c3-4)[C@@H]2COC(C)=O)ccc1O ZINC000085568474 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCC[C@@H](CO)[C@@H]3CCN=C(N)N)c2)O4)C=C[C@H]1CCO ZINC000085568478 KK Annotated Mild in-vitro biogenic CC[C@H]1C[C@H]([C@@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@@H]2C[C@H](CO)CC[C@@H]2CC#CO3)O4)C=C[C@H]1CCO ZINC000085568481 KK Annotated Mild in-vitro biogenic CC[C@H]1C[C@@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@@H]2[C@H](CC#CO3)CCC[C@H]2CCN=C(N)N)O4)C=C[C@@H]1CCO ZINC000085568482 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCCC[C@@H]3C[C@H]3CCNC(N)=N3)c2)O4)C=C[C@H]1CCO ZINC000085568485 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@@H]3[C@@H]5C=C[C@@H](CN=C(N)N)[C@H]3CCC5)c2)O4)C=C[C@H]1CCO ZINC000085568487 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3[C@H]5CCC[C@@H]3[C@H](CN=C(N)N)CC5)c2)O4)C=C[C@H]1CCO ZINC000085568490 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@@H]3CCCC5(CCCC5)[C@@H]3CCN=C(N)N)c2)O4)C=C[C@H]1CCO ZINC000085568492 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCC[C@@H](CO)C3)c2)O4)C=C[C@@H]1CCO ZINC000085568494 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCC[C@H](CO)C3)c2)O4)C=C[C@H]1CCO ZINC000085568496 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@H]3CCCC[C@@H]3CCN=C(N)N)c2)O4)C=C[C@H]1CCO ZINC000085568500 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@@H]2CCCC[C@@H]2CC#CO3)O4)C=C[C@H]1CCO ZINC000085568503 KK Annotated Mild in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@@H](CO)[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568505 KK Annotated Mild in-vitro biogenic CC[C@H]1C[C@H]([C@@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(O[C@@H]3CCCC5(CCCC5)C3)c2)O4)C=C[C@@H]1CCO ZINC000085568506 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc2c(c1)O[C@@H]1[C@H](CC#CO2)CC[C@H](CO)[C@H]1CCN=C(N)N)O3 ZINC000085568510 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@@H](CO)[C@@H]2C[C@H]2CCNC(N)=N2)c1)O3 ZINC000085568511 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc3c(c2)O[C@@H]2CCCC[C@@H]2CC#CO3)O4)C=C[C@@H]1CCO ZINC000085568513 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2[C@H]4C=C[C@@H](CN=C(N)N)[C@@H]2[C@@H](CO)CC4)c1)O3 ZINC000085568515 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]2[C@@H]4[C@@H](CO)CC[C@H]2CC[C@@H]4CN=C(N)N)c1)O3 ZINC000085568516 KK Annotated Mild in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc2c(c1)O[C@@H]1C[C@@H](CO)CC[C@@H]1CC#CO2)O3 ZINC000085568518 KK Annotated Mild in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(OC3CCCCC3)c2)O4)C=C[C@H]1CCO ZINC000085568520 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@@H](CO)[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568521 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]2CCC4(CCCC4)[C@H](CO)[C@H]2CCN=C(N)N)c1)O3 ZINC000085568523 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(OC3CCCCC3)c2)O4)C=C[C@H]1CCO ZINC000085568525 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C)CCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@@H](CO)[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568526 KK Annotated Mild in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@H](CO)C2)c1)O3 ZINC000085568527 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(OC3CCCC3)c2)O4)C=C[C@H]1CCO ZINC000085568528 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc2c(c1)O[C@@H]1C[C@@H](CO)CC[C@@H]1CC#CO2)O3 ZINC000085568530 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@H](CO)C2)c1)O3 ZINC000085568532 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(OC)c2)O4)C=C[C@H]1CCO ZINC000085568534 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1C[C@H]([C@@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c3c2CCCO3)O4)C=C[C@@H]1CCO ZINC000085568535 KK Annotated Anodyne in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCCC[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568537 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc2c(c1)O[C@H]1[C@@H](CC#CO2)CCC[C@@H]1CCN=C(N)N)O3 ZINC000085568539 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]2CCCC[C@@H]2C[C@H]2CCNC(N)=N2)c1)O3 ZINC000085568542 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]2[C@@H]4C=C[C@@H](CN=C(N)N)[C@H]2CCC4)c1)O3 ZINC000085568547 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2[C@H]4CCC[C@@H]2[C@H](CN=C(N)N)CC4)c1)O3 ZINC000085568549 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]2CCCC4(CCCC4)[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568552 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@H]1C[C@H]([C@H]2Cc3cc(O)c(CC(C)C)cc3-c3c(OC)cc4c(c32)C[C@@H](O)[C@H](c2ccc(O)c(OC)c2)O4)C=C[C@H]1CCO ZINC000085568555 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@H](CO)C2)c1)O3 ZINC000085568556 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C)CCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCC[C@H](CO)C2)c1)O3 ZINC000085568559 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCCC[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568562 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]2CCCC[C@@H]2CCN=C(N)N)c1)O3 ZINC000085568568 KK Annotated Mild in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC2CCCCC2)c1)O3 ZINC000085568571 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc3c(c1)O[C@H]1C[C@H](CO)CC[C@@H]1CC#CO3)O2 ZINC000085568574 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc2c(c1)O[C@@H]1CCCC[C@@H]1CC#CO2)O3 ZINC000085568577 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]2CCCC4(CCCC4)C2)c1)O3 ZINC000085568579 KK Annotated Anodyne in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC2CCCC2)c1)O3 ZINC000085568582 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC2CCCCC2)c1)O3 ZINC000085568585 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]3CCC[C@@H](CO)C3)c1)O2 ZINC000085568588 KK Annotated Anodyne in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC)c1)O3 ZINC000085568590 KK Annotated Anodyne in-vitro biogenic CC[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c2c1CCCO2)O3 ZINC000085568592 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C)CCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC2CCCCC2)c1)O3 ZINC000085568594 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c3ccccc3c2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC2CCCCC2)c1)O3 ZINC000085568597 KK Annotated Anodyne in-vitro biogenic CC[C@H](CCCO)CC[C@@H]1Cc2cc(O)c3ccccc3c2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC)c1)O3 ZINC000085568599 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C)[C@H](CCCO)CC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC)c1)O3 ZINC000085568602 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(O[C@H]3CCCC[C@@H]3CCN=C(N)N)c1)O2 ZINC000085568605 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC2CCCC2)c1)O3 ZINC000085568607 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc3c(c1)O[C@@H]1CCCC[C@@H]1CC#CO3)O2 ZINC000085568609 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c2c1CCCO2)O3 ZINC000085568611 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(O[C@@H]3CCCC4(CCCC4)C3)c1)O2 ZINC000085568612 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@]1(O)CC(=O)c2c(O)cc(O)cc2O1 ZINC000085568613 KK Annotated Mild CCCCC[C@H](C)CCC[C@H]1Cc2cc(O)c(CC(C)C)cc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c(OC)c1)O3 ZINC000085568618 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)c3ccccc3c2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c2c1CCCO2)O3 ZINC000085568622 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c(OC3CCCCC3)c1)O2 ZINC000085568630 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3c1-c1cc(CC(C)C)c(O)cc1CC3)C[C@@H](O)[C@H](c1ccc(O)c3c1CCCO3)O2 ZINC000085568649 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H]1Cc2cc(O)ccc2-c2c(OC)cc3c(c21)C[C@@H](O)[C@H](c1ccc(O)c2c1CCCO2)O3 ZINC000085568663 KK Annotated Anodyne in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@@]14CCC[C@H]1c1[cH-]cnc1C1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000085568672 KK Annotated Clean in-vitro biogenic Cc1cc(O)c2c(c1)C(=O)c1c(c3cc4c(nccc14)NC[C@H](O)[C@@]14CCC[C@H]1CCC1=C[C@@]5(O3)O[C@@]3(C1=C4C[C@@]1(CCC4(CCCC4)C1)[C@H]3O)[C@@H](O)[C@H](O)[C@H]5O)C2=O ZINC000085568676 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc4c(c3)C=CC3=CC5=C[C@H]6CCC[C@]67CC[C@]68CCC[C@H]6C=C[C@H](O)[C@@H]8[C@]7(C6=N[CH+]N=C6)[C@@H]5N[C@H]34)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569023 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc4c(c3)CCC3=CC5=C[C@H]6CCC[C@]67CC[C@]68CCC[C@H]6C=C[C@@H](O)[C@H]8[C@@]7(C6=N[CH+]N=C6)[C@@H]5N[C@@H]34)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569026 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc([C@@H]4C=CC5=C[C@@H]6CCC[C@]67CC[C@@]68CCC[C@@H]6C=C[C@H](O)[C@@H]8[C@]7(C6=N[CH+]N=C6)[C@H]5N4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569031 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4C=C[C@H]5CC[C@@H]6CCC7=N[CH+]N=C7[C@@]47[C@H]4[C@H](O)C=C[C@@H]8CCC[C@@]84CC[C@]567)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569039 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CC[C@@H]5CC[C@H]6CCC7=N[CH+]N=C7[C@]47[C@@H]4[C@@H](O)C=C[C@@H]8CCC[C@]84CC[C@]657)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569041 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]45C6=N[CH+]N=C6[C@H]6C=C[C@]7(CCC[C@@]74CC[C@]47CCC[C@H]4C=C[C@@H](O)[C@H]75)C6)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569045 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@@]45C6=N[CH+]N=C6CC[C@@H]6CCC[C@]64CC[C@@]46CCC[C@H]4C=C[C@H](O)[C@H]65)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569048 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4C=C[C@H]5CCC[C@]56CC[C@@]57CCC[C@H]5C=C[C@H](O)[C@@H]7[C@]46C4=N[CH+]N=C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569053 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CC[C@H]5CCC[C@]56CC[C@@]57CCC[C@@H]5C=C[C@H](O)[C@H]7[C@]46C4=N[CH+]N=C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569055 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4C[C@@H]5O[C@]6(C4)[C@@H]4C[C@H]5C=C[C@H]4CC[C@]64CC[C@@H](O)C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569058 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]4(C5=N[CH+]N=C5)CCC[C@@]56CCC[C@@H]5C=C[C@@H](O)[C@@H]46)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569068 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@@]4(C5=N[CH+]N=C5)C[C@@H]5C=C[C@H]6CC[C@H]7C=C[C@H](O)[C@@H]4[C@@]76C5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569069 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@@]4(C5=N[CH+]N=C5)[C@@H]5[C@@H](O)C=C[C@@H]6CC[C@@H]7C=C[C@H](C[C@]675)C45CCCC5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569071 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]4(C5=N[CH+]N=C5)[C@H]5[C@H](O)C=C[C@@H]6CCC[C@@]65CCC45CCCC5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569074 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]4(C5=N[CH+]N=C5)CCC[C@@]56CCC[C@@H]5CC[C@H](O)[C@H]46)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569076 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]4(C5=N[CH+]N=C5)C[C@H]5C=C[C@H]6CC[C@H]7CC[C@@H](O)[C@H]4[C@]76C5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569078 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]4(C5=N[CH+]N=C5)[C@@H]5[C@@H](O)CC[C@H]6CCC[C@]65CCC45CCCC5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569080 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4C[C@H]5CC[C@H]6CCC[C@]7(CC[C@H](O)C7)[C@]6(C4)O5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569082 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4C[C@H]5CC[C@@H]6CCC[C@@]78C[C@H](O)C[C@@H]7CC[C@H]4[C@@]68O5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569085 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4CCO[C@]5(CCCC[C@@]56CC[C@H](O)C6)C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569088 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CCO[C@]56CCCC[C@]57C[C@H](O)C[C@@H]7C=C[C@H]46)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569091 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4CCO[C@@]5(C4)C4(CCCC4)CCC[C@]54CC[C@@H](O)C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569094 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1C[C@@H]2O[C@]3(C1)[C@@H]1C[C@H]2C=C[C@H]1CC[C@]31CC[C@H](O)C1 ZINC000085569096 KK Annotated Clean in-vitro biogenic OC[C@H]1CC[C@@H]2C=C[C@@H]3C[C@H]2[C@]12C[C@@H](NCc1ccc(CCc4c(O)c(O)c5c(O)cccc5c4/C=C/c4ccc(O)c(O)c4)cc1)C[C@@H]3O2 ZINC000085569100 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@@]1(C2=N[CH+]N=C2)C[C@@H]2C=C[C@H]3CC[C@H]4C=C[C@H](O)[C@@H]1[C@@]43C2 ZINC000085569103 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@@]1(C2=N[CH+]N=C2)[C@@H]2[C@H](O)C=C[C@@H]3CCC[C@]32CCC12CCCC2 ZINC000085569106 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@]1(C2=N[CH+]N=C2)CCC[C@@]23CCC[C@@H]2C=C[C@H](O)[C@@H]13 ZINC000085569107 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@@]1(C2=N[CH+]N=C2)CCC[C@@]23CCC[C@@H]2CC[C@@H](O)[C@@H]31 ZINC000085569108 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@H]1C[C@H]2CC[C@H]3CCC[C@]4(CC[C@H](O)C4)[C@]3(C1)O2 ZINC000085569114 KK Annotated Clean in-vitro biogenic OC[C@@H]1CCC[C@H]2CC[C@@H]3C[C@@H](NCc4ccc(CCc5c(O)c(O)c6c(O)cccc6c5/C=C/c5ccc(O)c(O)c5)cc4)C[C@]12O3 ZINC000085569115 KK Annotated Clean in-vitro biogenic OC[C@H]1C2(CCCC2)CCC[C@@]1(CNCc1ccc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)cc1)C1=N[CH+]N=C1 ZINC000085569116 KK Annotated Mild in-vitro biogenic OC[C@H]1C2(CCCC2)CCC2(CCCC2)[C@]1(CNCc1ccc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)cc1)C1=N[CH+]N=C1 ZINC000085569117 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1CCO[C@@]2(CCCC[C@@]23CC[C@@H](O)C3)C1 ZINC000085569118 KK Annotated Clean in-vitro biogenic OC[C@@H]1CCCC[C@@]12C[C@H](NCc1ccc(CCc3c(O)c(O)c4c(O)cccc4c3/C=C/c3ccc(O)c(O)c3)cc1)CCO2 ZINC000085569120 KK Annotated Clean in-vitro biogenic OC[C@H]1CCCC2(CCCC2)[C@]12C[C@@H](NCc1ccc(CCc3c(O)c(O)c4c(O)cccc4c3/C=C/c3ccc(O)c(O)c3)cc1)CCO2 ZINC000085569122 KK Annotated Clean in-vitro biogenic OC[C@H]1CCCC[C@]1(CNCc1ccc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)cc1)C1=N[CH+]N=C1 ZINC000085569125 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4C[C@@H]5CC[C@H]6CCCC7(CCCC7)[C@@]6(C4)O5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569126 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CCO[C@@]5(CCCCC56CCCC6)C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569128 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CCO[C@@]56CCCC[C@@]57CCC[C@@H]7C=C[C@@H]46)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569130 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CCOC5(C4)C4(CCCC4)CCCC54CCCC4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569132 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@]4(C5=N[CH+]N=C5)CCC[C@@H]5C=CC=C[C@H]54)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569134 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1C[C@H]2CC[C@@H]3CCC[C@@H](CO)[C@]3(C1)O2 ZINC000085569138 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@]1(C2=N[CH+]N=C2)CCCC2(CCCC2)[C@@H]1CO ZINC000085569139 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1CCO[C@]2(CCCC[C@H]2CO)C1 ZINC000085569144 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC[C@@]4(C5=N[CH+]N=C5)CCCCC45CCCC5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569147 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC[C@]1(C2=N[CH+]N=C2)CCCC[C@@H]1CO ZINC000085569152 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1CCO[C@@]2(CCCCC23CCCC3)C1 ZINC000085569155 KK Annotated Clean in-vitro biogenic OCCC[C@@H]1C[C@H](NCc2ccc(CCc3c(O)c(O)c4c(O)cccc4c3/C=C/c3ccc(O)c(O)c3)cc2)CCO1 ZINC000085569158 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@H]4C[C@@H]5CC[C@@H]6CCCC[C@@]6(C4)O5)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569161 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CCOC5(CCCCC5)C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569164 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNCC4(C5=N[CH+]N=C5)CCCCC4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569168 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNCC4(C5=N[CH+]N=C5)CCCC4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569169 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNCCC4=N[CH+]N=C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569172 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CN[C@@H]4CCOC5(CCCC5)C4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569174 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1CCO[C@H](CCCO)C1 ZINC000085569177 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC4CCOCC4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569178 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CN[C@@H]1CCOC2(CCCCC2)C1 ZINC000085569181 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNCC1(C2=N[CH+]N=C2)CCCCC1 ZINC000085569184 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNCCC1=N[CH+]N=C1 ZINC000085569187 KK Annotated Mild in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC1CCOCC1 ZINC000085569190 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC4CCCCC4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569208 KK Annotated Clean in-vitro biogenic Oc1ccc(/C=C/c2c(CCc3ccc(CNC4CCCC4)cc3)c(O)c(O)c3c(O)cccc23)cc1O ZINC000085569213 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CNC ZINC000085569224 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CCc2c(O)c(O)c3c(O)cccc3c2/C=C/c2ccc(O)c(O)c2)ccc1CCCO ZINC000085569226 KK Annotated Clean in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O ZINC000085569299 KK Annotated Reactive in-vitro biogenic CN[C@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H]5CC[C@H](O)CSSCCC[C@@H]5O)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000085569301 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@H](O)[C@@]5(CCC[C@@H](CC=O)C5)SSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569305 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2CC[C@@H](O)[C@]3(CCCC[C@H]3CC#C4)SSCCC[C@H]2O)cc(Cc2cccc(O)c2)c1O ZINC000085569307 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569311 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569313 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2[C@@H](CC[C@@H](O)[C@@H]2CO)[C@@H]4CCCO)cc(Cc2cccc(O)c2)c1O ZINC000085569316 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CCCO)[C@H](O)CC5CCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000085569318 KK Annotated Reactive in-vitro biogenic CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CCCO)[C@H](O)CC5CCCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000085569319 KK Annotated Reactive in-vitro biogenic CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000085569321 KK Annotated Mild in-man endogenous CO[C@H]1CC(C)=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@H](OC)CC2(C)C)C(C)(C)C1 ZINC000085569327 KK Annotated Mild CC[C@H](O)[C@H](CCCO)Oc1cc(O)cc2oc(-c3cc(CC(C)C)c(O)c4c3CSSC[C@H](NC)c3cccc(c3)C4)c(O)c(=O)c12 ZINC000085569341 KK Annotated Reactive in-vitro biogenic CN[C@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CO)CCCO)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 ZINC000085569345 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CO)CCCO)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 ZINC000085569351 KK Annotated Reactive in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CCCO)[C@H](O)CC4CCCC4)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569354 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CCCO)[C@H](O)CC4CCCCC4)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569365 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@H](CCCO)Oc1cc(O)cc2oc(-c3cc(Cc4cccc(O)c4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569368 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(OC[C@H](CO)C4(O)CCCCC4)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569370 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@H](CCCO)Oc1cc(O)cc2oc(-c3cc(Cc4cccc(CNC)c4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569372 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)COc1cc(O)cc2oc(-c3cc(Cc4cccc(O)c4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569381 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H](CCO)CC4)cc(Cc2cccc(O)c2)c1O ZINC000085569383 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(OCCC4(O)CCCCC4)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O ZINC000085569386 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CO)CCCO)c3c(=O)c2O)cc(Cc2cccc(CNC3CCCCC3)c2)c1O ZINC000085569391 KK Annotated Anodyne in-vitro biogenic CC[C@H](O)[C@H](CCCO)Oc1cc(O)cc2oc(-c3cc(Cc4ccccc4)c(O)c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569394 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H](CCO)CC4)cc(Cc2ccccc2)c1O ZINC000085569415 KK Annotated Anodyne in-vitro biogenic CC(C)Cc1cc(-c2oc3cc(O)cc(OCCC4(O)CCCCC4)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569417 KK Annotated Anodyne in-vitro biogenic 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@]2(O)[C@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085570403 KK Annotated Mild in-man endogenous 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@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085570407 KK Annotated Mild in-man endogenous 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@@]2(O)[C@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085570411 KK Annotated Mild in-man 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@@]2(O)[C@@H](C)CC(=O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085570414 KK Annotated Mild in-man CCCCCC(=O)OC/C(C#CC1=C(C)C[C@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@]1(O)[C@H](C)CC(=O)CC1(C)C ZINC000085570417 KK Annotated Mild in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@@]1(O)[C@H](C)CC(=O)CC1(C)C ZINC000085570421 KK Annotated Mild in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@]1(O)[C@@H](C)CC(=O)CC1(C)C ZINC000085570425 KK Annotated Mild in-man endogenous CCCCCC(=O)OC/C(C#CC1=C(C)C[C@H](O)CC1(C)C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(/C)C(=O)C[C@@]1(O)[C@@H](C)CC(=O)CC1(C)C ZINC000085570442 KK Annotated Mild in-man endogenous CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](O)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571137 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](O)[C@H](CCCCO)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571139 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571140 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000085571143 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSSC[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571146 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4C4(CCCC4)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571148 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3Cc3ccnc(c3)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000085571150 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CCCO)c4ccnc(c4)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571151 KK Annotated Reactive in-vitro biogenic CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3Cc3ccnc(c3)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 ZINC000085571153 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@@H](O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000085571157 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CCCO)c4ccnc(c4)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571159 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSSC[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571161 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C([C@H]3c4ccnc(N)c4CC[C@@H]3N3C(=O)C=CC3=O)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571163 KK Annotated Anodyne in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4[C@H](CN4C(=O)C=CC4=O)c4ccnc(N)c4)C(=O)O/C5=C\CCC4CCCCC4)[C@@H]32)CCCC1 ZINC000085571165 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C([C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(C5(CC)CCCC5)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571167 KK Annotated Anodyne in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4[C@H](CN4C(=O)C=CC4=O)c4ccnc(N)c4)C(=O)O/C5=C\C[C@H](C)CNC)[C@@H]32)CCCC1 ZINC000085571169 KK Annotated Anodyne in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 ZINC000085571170 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C([C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571172 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000085571175 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000085571176 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSS[C@@H](O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000085571178 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C([C@H](CCCO)c3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571180 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CCCO)c3ccnc(c3)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000085571182 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSSC[C@@H](C3CCCCC3)C/C=C/4OC5=O)[C@@H]21 ZINC000085571184 KK Annotated Reactive in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4Cc4ccnc(N)c4)C(=O)O/C5=C\CCC4CCCCC4)[C@@H]32)CCCC1 ZINC000085571185 KK Annotated Anodyne in-vitro biogenic CCCC1=C2OC(=O)C3=C2[C@@H](CC1)C[C@H]1[C@@H]2CC[C@@]4(C5=C2Cc2ccnc(c2)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]31 ZINC000085571188 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C(C3(c4ccnc(N)c4)CCCC3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571191 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(Cc3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(C5(CC)CCCC5)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571193 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H]3c5ccnc(N)c5CC[C@@H]3N3C(=O)C=CC3=O)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571195 KK Annotated Anodyne in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C(=C4Cc4ccnc(N)c4)C(=O)O/C5=C\C[C@H](C)CNC)[C@@H]32)CCCC1 ZINC000085571198 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C([C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571201 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)C(=O)O/C4=C\CCC3CCCCC3)[C@@H]21 ZINC000085571203 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(Cc3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571208 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 ZINC000085571210 KK Annotated Reactive in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(N)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571212 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CCCO)c3ccnc(N)c3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571213 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(CC3=C[CH+]N=C3)[C@H]3CC[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571215 KK Annotated Mild in-vitro biogenic CCC/C=C1\OC(=O)C2=C(Cc3ccnc(N)c3)[C@H]3CC[C@]21[C@H]1C2=C4C(=C(CCC)CC[C@@H]4C[C@@H]31)OC2=O ZINC000085571217 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3Cc3ccnc(N)c3)C(=O)O/C4=C\CCC3CCCCC3)[C@@H]21 ZINC000085571219 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3Cc3ccnc(N)c3)C(=O)O/C4=C\C[C@H](C)CNC)[C@@H]21 ZINC000085571221 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C[C@H]3C[C@@H](CCN=C(N)N)[C@]21[C@H]1C2=C(CC[C@@H]31)/C(=C/C1(CC)CCCC1)OC2=O ZINC000085571224 KK Annotated Mild in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3[C@H](CCCO)C3=C[CH+]N=C3)C(=O)O/C4=C\CCC)[C@@H]21 ZINC000085571226 KK Annotated Mild in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3CC3=C[CH+]N=C3)C(=O)O/C4=C\CCC3CCCCC3)[C@@H]21 ZINC000085571230 KK Annotated Mild in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C(=C3CC3=C[CH+]N=C3)C(=O)O/C4=C\C[C@H](C)CNC)[C@@H]21 ZINC000085571231 KK Annotated Mild in-vitro biogenic CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@H]4C=C5C(=O)O/C(=C\CCC6CCCCC6)[C@@]5(CC4)[C@@H]32)CCCC1 ZINC000085571233 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2ccc(O)cc2C2=C3C(=O)O/C(=C\[C@H](CCO)Cc4ccccc4)[C@@]34CC[C@@H]2[C@@H]2CCC3=C(C(=O)O/C3=C\C[C@H](CO)[C@@H]3CCN[C@H](NC)C3)[C@@H]24)c1 ZINC000085571256 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)[C@@H]1CCN[C@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000085571262 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2ccc(O)cc2C2=C3C(=O)O/C(=C\[C@H](CCO)Cc4ccccc4)[C@@]34CC[C@@H]2[C@@H]2CCC3=C(C(=O)O/C3=C\CC3([C@@H]5CCN[C@H](NC)C5)CCCC3)[C@@H]24)c1 ZINC000085571264 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1C[C@H]([C@H](CO)C/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2ccccc2)=C3C(=O)O/C4=C\[C@H](CCO)Cc2ccccc2)CCN1 ZINC000085571266 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC1([C@@H]3CCN[C@H](NC)C3)CCCC1)OC2=O)Cc1ccccc1 ZINC000085571268 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2ccc(O)cc2C2=C3C(=O)O/C(=C\[C@H](CCO)Cc4ccccc4)[C@@]34CC[C@@H]2[C@@H]2CCC3=C(C(=O)O/C3=C\CC[C@@H]3CCN[C@H](NC)C3)[C@@H]24)c1 ZINC000085571271 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@@H](NC)CC[C@@]45CCC6=C(C(=O)O/C6=C\CC[C@@H]6CCN[C@@H](NC)C6)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571274 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2ccc(O)cc2C2=C3C(=O)O/C(=C\[C@H](CCO)Cc4ccccc4)[C@@]34CC[C@@H]2[C@@H]2CCC3=C(C(=O)O/C3=C\C[C@H](CO)C3CCNCC3)[C@@H]24)c1 ZINC000085571277 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)[C@@H]1CCN[C@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000085571280 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@@H](NC)/C=C/[C@@]45CCC6=C(C(=O)O/C6=C\C[C@H](CO)C6CCNCC6)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571282 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@H](NC)CC[C@@]45CCC6=C(C(=O)O/C6=C\C[C@H](CO)C6CCNCC6)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571283 KK Annotated Anodyne in-vitro biogenic CC(C)CCCN[C@@H]1C[C@H]([C@H](CO)C/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2ccccc2)=C3C(=O)O/C4=C\[C@H](CCO)Cc2ccccc2)CCN1 ZINC000085571284 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC[C@@H]1CCN[C@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000085571287 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNCCCCO)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC[C@@H]1CCN[C@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000085571288 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571290 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC[C@@H]1CCN[C@@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000085571292 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)[C@@H]1CCN[C@H](NCCCC(C)C)C1)OC2=O)Cc1ccccc1 ZINC000085571295 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C[C@H]([C@H](CO)C/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2cccc(CNC)c2)=C3C(=O)O/C4=C\[C@H](CC)Cc2ccccc2)CCN1 ZINC000085571297 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC1([C@@H]3CCN[C@H](NC)C3)CCCC1)OC2=O)Cc1ccccc1 ZINC000085571299 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1C[C@H](CC/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2ccccc2)=C3C(=O)O/C4=C\[C@H](CCO)Cc2ccccc2)CCN1 ZINC000085571301 KK Annotated Anodyne in-vitro biogenic CNCc1cccc(-c2ccc(O)cc2C2=C3C(=O)O/C(=C\[C@H](CCO)Cc4ccccc4)[C@@]34CC[C@@H]2[C@@H]2CCC3=C(C(=O)O/C3=C\C[C@H](C)CO)[C@@H]24)c1 ZINC000085571304 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)CCCCO)OC2=O)Cc1ccccc1 ZINC000085571306 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@@H](NC)/C=C/[C@@]45CCC6=C(C(=O)O/C6=C\C[C@H](C)CO)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571307 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C3c4cc(O)ccc4-c4cccc(c4)[C@H](NC)CC[C@@]45CCC6=C(C(=O)O/C6=C\C[C@H](C)CO)[C@@H]4[C@]21CC[C@@H]35)Cc1ccccc1 ZINC000085571309 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571310 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC[C@@H]1CCN[C@H](NCCCC(C)C)C1)OC2=O)Cc1ccccc1 ZINC000085571312 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571314 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)CCO)OC2=O)Cc1ccccc1 ZINC000085571316 KK Annotated Anodyne in-vitro biogenic O=C1O/C(=C\C[C@H](CO)C2CCNCC2)C2=C1[C@H]1[C@@H](CC2)[C@H]2CC[C@]13C(=C2c1cc(O)ccc1-c1ccccc1)C(=O)O/C3=C\[C@@H](CCO)Cc1ccccc1 ZINC000085571318 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571320 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC[C@@H]1CCN[C@H](NC)C1)OC2=O)Cc1ccccc1 ZINC000085571321 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571323 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571324 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC4CCCC4)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571326 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C[C@H]([C@H](CO)C/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2ccccc2)=C3C(=O)O/C4=C\[C@H](CC)Cc2ccccc2)CCN1 ZINC000085571328 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571331 KK Annotated Anodyne in-vitro biogenic C[C@H](CO)C/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\[C@H](CCO)Cc1ccccc1 ZINC000085571332 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)CCCCO)OC2=O)Cc1ccccc1 ZINC000085571334 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC[C@@H]1CCN[C@H](NCCCC(C)C)C1)OC2=O)Cc1ccccc1 ZINC000085571336 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)CCO)OC2=O)Cc1ccccc1 ZINC000085571338 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1cccc(CNC)c1)=C2C(=O)O/C3=C\[C@H](CCO)Cc1ccccc1 ZINC000085571339 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)Cc1ccccc1 ZINC000085571341 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)Cc1ccccc1 ZINC000085571342 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@]13/C=C/[C@H](NC)c4cccc(c4)-c4ccc(O)cc4C4=C5C(=O)O/C(=C\[C@H](CC)Cc6ccccc6)[C@]5(CC[C@@H]41)[C@@H]23 ZINC000085571344 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@]13CC[C@@H](NC)c4cccc(c4)-c4ccc(O)cc4C4=C5C(=O)O/C(=C\[C@H](CC)Cc6ccccc6)[C@]5(CC[C@@H]41)[C@@H]23 ZINC000085571345 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CC1(C3CCNCC3)CCCC1)OC2=O)Cc1ccccc1 ZINC000085571347 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCCCC1)OC2=O)Cc1ccccc1 ZINC000085571349 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571350 KK Annotated Anodyne in-vitro biogenic O=C1O/C(=C\CCC2CCNCC2)C2=C1[C@H]1[C@@H](CC2)[C@H]2CC[C@]13C(=C2c1cc(O)ccc1-c1ccccc1)C(=O)O/C3=C\[C@@H](CCO)Cc1ccccc1 ZINC000085571351 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@@H](CO)C1CCCC1)OC2=O)Cc1ccccc1 ZINC000085571352 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1cccc(CNC)c1)=C2C(=O)O/C3=C\[C@H](CC)Cc1ccccc1 ZINC000085571354 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571356 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)CCC(C)C ZINC000085571359 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1cccc(CNC4CCCCC4)c1)=C2C(=O)O/C3=C\[C@H](CC)Cc1ccccc1 ZINC000085571361 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1C[C@H](CC/C=C2\OC(=O)C3=C2CC[C@@H]2[C@H]3[C@]34CC[C@H]2C(c2cc(O)ccc2-c2ccccc2)=C3C(=O)O/C4=C\[C@H](CC)Cc2ccccc2)CCN1 ZINC000085571364 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\[C@H](CCO)Cc1ccccc1 ZINC000085571369 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1cccc(CNC)c1)=C2C(=O)O/C3=C\[C@H](CC)CCC(C)C ZINC000085571374 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)Cc1ccccc1 ZINC000085571376 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)Cc1ccccc1 ZINC000085571379 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)CCC(C)C ZINC000085571384 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O)Cc1ccccc1 ZINC000085571389 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3cccc(CNC)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O ZINC000085571391 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\[C@H](CC)Cc1ccccc1 ZINC000085571393 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\[C@H](CCO)CCC(C)C ZINC000085571397 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)CCC(C)C ZINC000085571399 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)CCC(C)C ZINC000085571402 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCNCC1)OC2=O ZINC000085571404 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O)CCC(C)C ZINC000085571407 KK Annotated Anodyne in-vitro biogenic C[C@H](CO)C/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\CCCO ZINC000085571409 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)CCCCO)OC2=O ZINC000085571413 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\[C@H](CC)CCC(C)C ZINC000085571416 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)CCO)OC2=O ZINC000085571419 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](CO)C1CCCCC1)OC2=O ZINC000085571422 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O ZINC000085571424 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571425 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@@H](CO)C1CCCC1)OC2=O ZINC000085571428 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1cccc(CNC)c1)=C2C(=O)O/C3=C\CCC ZINC000085571432 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O ZINC000085571435 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571438 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cccc(O)c3)C(=O)O/C4=C\[C@H](CC)Cc3ccccc3)[C@@]21CCO ZINC000085571442 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)CCC(C)C ZINC000085571445 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O ZINC000085571448 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\CCCO ZINC000085571457 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O ZINC000085571459 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)Cc1ccccc1 ZINC000085571463 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cccc(O)c1)=C2C(=O)O/C3=C\[C@H](CCO)Cc1ccccc1 ZINC000085571466 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)Cc1ccccc1 ZINC000085571469 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)CCC(C)C ZINC000085571471 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cccc(O)c3)C(=O)O/C4=C\[C@H](CC)CCC(C)C)[C@@]21CCO ZINC000085571473 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cc(O)ccc3-c3ccccc3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O ZINC000085571477 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O)Cc1ccccc1 ZINC000085571479 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cc(O)ccc1-c1ccccc1)=C2C(=O)O/C3=C\CCC ZINC000085571482 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cccc(O)c1)=C2C(=O)O/C3=C\[C@H](CC)Cc1ccccc1 ZINC000085571486 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cccc(O)c1)=C2C(=O)O/C3=C\[C@H](CCO)CCC(C)C ZINC000085571488 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)CCC(C)C ZINC000085571491 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)CCC(C)C ZINC000085571494 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O)CCC(C)C ZINC000085571498 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C(c1cccc(O)c1)=C2C(=O)O/C3=C\[C@H](CC)CCC(C)C ZINC000085571500 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O ZINC000085571506 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]3CC[C@]4(C(=C3c3cccc(O)c3)C(=O)O/C4=C\CCC)[C@@]21CCO ZINC000085571509 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O ZINC000085571510 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O ZINC000085571515 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O ZINC000085571519 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/C[C@H](C)CO)OC2=O)Cc1ccccc1 ZINC000085571523 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C(c3cccc(O)c3)[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O ZINC000085571525 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3C=C4C(=O)O/C(=C\[C@H](CC)Cc5ccccc5)[C@]4(CC3)[C@@]21CCO ZINC000085571532 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)Cc1ccccc1 ZINC000085571535 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)Cc1ccccc1 ZINC000085571542 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)Cc1ccccc1 ZINC000085571545 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCNCC1)OC2=O)CCC(C)C ZINC000085571547 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O)Cc1ccccc1 ZINC000085571551 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@]1(Cc3ccccc3)[C@@H]3C=C4C(=O)O/C(=C\[C@H](CC)Cc5ccccc5)[C@]4(CC3)[C@@H]21 ZINC000085571553 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCC1)OC2=O)CCC(C)C ZINC000085571559 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCCCCCO)OC2=O)CCC(C)C ZINC000085571560 KK Annotated Anodyne in-vitro biogenic CC[C@H](/C=C1\OC(=O)C2=C[C@@H]3CC[C@@]21[C@H]1C2=C(CC[C@H]13)/C(=C/CCC1CCCCC1)OC2=O)CCC(C)C ZINC000085571563 KK Annotated Anodyne in-vitro biogenic CCC/C=C1\OC(=O)C2=C1CC[C@@]1(Cc3ccccc3)[C@@H]3C=C4C(=O)O/C(=C\[C@H](CC)CCC(C)C)[C@]4(CC3)[C@@H]21 ZINC000085571565 KK Annotated Anodyne in-vitro biogenic CC[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@@H]2Cc2cccc(c2)C2(CCCC2)[C@H](O)/C=C2/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@@H]4CC(=O)Oc5cc(O)c(cc54)C[C@@H](OC2=O)[C@]13O ZINC000085571595 KK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@@H]2Cc2ccc4c(c2)C[C@H](O)/C(=C2/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@@H](OC2=O)[C@]13O)CC4 ZINC000085571597 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@@H](O)/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6c5cc(c(O)c6CC)C[C@H]1OC3=O)CC4)C2 ZINC000085571601 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@@H]2CCC(=O)[C@H](Cc3cccc(c3)C[C@H](O)/C=C3/C[C@@H](c4cc(O)cc(CO)c4)C#C[C@@H]4CC(=O)Oc5c4cc(c(O)c5CC)C[C@H]1OC3=O)C2 ZINC000085571606 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3/C[C@@H](c5cc(CO)cc(NC[C@H](C)O)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000085571614 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3ccc4c(c3)C[C@H](O)/C(=C3/C[C@@H](c5cc(O)cc(CO)c5)C#C[C@H]5CC(=O)Oc6cc(O)c(cc65)C[C@H]1OC3=O)CC4)C2 ZINC000085571617 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NCC)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O ZINC000085571655 KK Annotated Mild in-vitro biogenic CCC[C@]1(O)[C@H]2CCC(=O)[C@@H](Cc3cccc(c3)CC/C=C3/C[C@@H](c4cccc(CO)c4)C#C[C@H]4CC(=O)Oc5cc(O)c(cc54)C[C@H]1OC3=O)C2 ZINC000085571657 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)c(CCCCC)c(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@H]3CC(=O)CC[C@H]32)OC1=O ZINC000085571665 KK Annotated Mild in-vitro biogenic CC(C)CC/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000085571681 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@@](C)(O)[C@@H]2CCC(=O)C3(CCCC3)C2)OC1=O ZINC000085571687 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cccc(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@](O)(CCC)C2CCC(=O)CC2)OC1=O ZINC000085571707 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2ccc(CCCCC)c(CO)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@]2(O)CCC[C@@H]3CC(=O)CC[C@@H]32)OC1=O ZINC000085571709 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)c(CCCCC)c(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O ZINC000085571713 KK Annotated Mild in-vitro biogenic C/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](O)C3CCCCC3)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O ZINC000085571716 KK Annotated Mild in-vitro biogenic CC(C)CC/C=C1/C[C@@H](c2cc(CO)cc(NC[C@H](C)O)c2)C#C[C@H]2CC(=O)Oc3cc(O)c(cc32)C[C@H]([C@@](C)(O)C2CCC(=O)CC2)OC1=O ZINC000085571719 KK Annotated Mild in-vitro biogenic Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C(/N=c1\c(=O)c3c(O)cc(C)c4c5c(c(O)c(c1=O)c43)C(C)(C)[C@H](C)O5)=C2O ZINC000085575710 KK Annotated Mild O=C(OCc1cc(OC(=O)c2ccccc2)c2c(c1)C(=O)c1cccc(OC(=O)c3ccccc3)c1C2=O)c1ccccc1 ZINC000085584018 KK Annotated Clean CC(C)=CCc1c(O)c(C(=O)C[C@H](C)COC(=O)/C=C/c2ccccc2)c(O)c2c(-c3ccccc3)cc(=O)oc12 ZINC000085584117 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=CC[C@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C ZINC000085586014 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C ZINC000085586031 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000085586041 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000085586044 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@@H](C)CC/C=C(\C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000085586066 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000085586070 KK Annotated Anodyne CC(=O)O[C@@](C)(CCCC(C)C)[C@H]1[C@@H]2C[C@@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]13C(=O)O2 ZINC000085586139 KK Annotated Anodyne COc1ccc(-c2oc3cc(O)ccc3c(=O)c2-c2cc([C@@H]3COc4cc(O)ccc4C3)c(O)cc2OC)c(O)c1 ZINC000085588273 KK Annotated Anodyne COc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2c2cc([C@H]3COc4cc(O)ccc4C3)c(O)cc2OC)c(O)c1 ZINC000085588285 KK Annotated Anodyne COC1=C(O)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000085592140 KK Annotated Mild in-man CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)c6c3N[C@@H]([C@H](C)O)C=C6)C[C@@H]4NC(=N)NC)[C@]3(CCC[C@@H]3CO)C5)s2)s1 ZINC000085592264 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@H]([C@H](O)CO)[C@H](C5)C3(C#Cc5c(cc(O)c6c5N[C@@H]([C@H](C)O)C=C6)C[C@H]4NC(=N)NC)CCCC3)s2)s1 ZINC000085592266 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4C[C@]35C[C@@H]([C@@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6)C3)C[C@@H]4NC(=N)NC)[C@H]([C@H](O)CO)C5)s2)s1 ZINC000085592267 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4C[C@]35C[C@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@H]4NC(=N)NC)[C@]3(CC[C@@H](CNC)[C@H]3CO)C5)s2)s1 ZINC000085592268 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@H]([C@H](O)CO)[C@@H](CC#Cc3c(cc(O)c6c3N[C@H]([C@H](C)O)C=C6)C[C@@H]4NC(=N)NC)C5)s2)s1 ZINC000085592269 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@H]4NC(=N)NC)[C@@]3(CCC[C@H]3CO)C5)s2)s1 ZINC000085592270 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4C[C@]35C[C@@H]([C@@H]3C#Cc6c(cc(O)cc6NC[C@@](C)(O)Cc6cccc(c6)C3)C[C@@H]4NC(=N)NC)C3(CCCC3)C5)s2)s1 ZINC000085592271 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@]35C[C@@H]([C@H](O)CO)[C@@](CCCCC)(CC#Cc3c(cc(O)c6c3N[C@@H]([C@H](C)O)C=C6)C[C@@H]4NC(=N)NC)C5)s2)s1 ZINC000085592272 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)c6c3N[C@@H]([C@H](C)O)C=C6)C[C@H]4NC(=N)NC)C3(CCCC3)C5)s2)s1 ZINC000085592273 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4C[C@]35C[C@@](CCCCC)(CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@H]4NC(=N)NC)[C@@]3(CCC[C@@H]3CO)C5)s2)s1 ZINC000085592274 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@@]35C[C@@H]([C@H](O)CO)[C@@H](C5)C3(C#Cc5c(cc(O)cc5NC[C@H](C)O)C[C@@H]4NC(=N)NC)CCCC3)s2)s1 ZINC000085592275 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@@]35C[C@@H]([C@H](O)CO)[C@@H](C5)C3(C#Cc5c(cc(O)cc5NC[C@H](C)O)C[C@H]4NC(=N)NC)CCCCC3)s2)s1 ZINC000085592276 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)[C@H]([C@H](O)CO)C5)s2)s1 ZINC000085592277 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)[C@]3(CC[C@@H](CNC)C3)C5)s2)s1 ZINC000085592278 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@]4([C@@H](Cc5cc(O)c6c(c5)N[C@H]([C@H](C)O)C=C6)NC(=N)NC)CC[C@@H]5C[C@@H]([C@H](O)CO)C[C@]53C4)s2)s1 ZINC000085592279 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@@]35C[C@@H]([C@H](O)CO)[C@](CCCCC)(CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)C5)s2)s1 ZINC000085592280 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@]4([C@@H](Cc5cc(O)c6c(c5)N[C@H]([C@H](C)O)C=C6)NC(=N)NC)C=C[C@H]5C[C@@H]([C@H](O)CO)C[C@]35C4)s2)s1 ZINC000085592281 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC4CCCCC4)C[C@@]34CC[C@H]([C@H](O)CO)C4)s2)s1 ZINC000085592282 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC4CCCC4)C[C@@]34CC[C@H]([C@H](O)CO)C4)s2)s1 ZINC000085592283 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4C[C@@]35C[C@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@H]4NC(=N)NC)C3(CCCC3)C5)s2)s1 ZINC000085592284 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC)C[C@@]34CC[C@H]([C@H](O)CO)C4)s2)s1 ZINC000085592285 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)[C@H](CCO)C5)s2)s1 ZINC000085592286 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]4C[C@]35CC[C@H](CC#Cc3c(cc(O)c6c3N[C@H]([C@H](C)O)C=C6)C[C@H]4NC(=N)NC)C5)s2)s1 ZINC000085592287 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4[C@H]5C(=c6ccccc6=C[C@@H]53)CC[C@H](c3cc(O)c5c(c3)N[C@H]([C@H](C)O)C=C5)[C@@H]4NC(=N)NC)s2)s1 ZINC000085592288 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4[C@@H](NC(=N)NC)[C@H](c5cc(O)cc(NC[C@H](C)O)c5)CCC5=c6ccc(CNC)cc6=C[C@H]3[C@@H]54)s2)s1 ZINC000085592289 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@@]35CC3(CCCC3)[C@](CCCCC)(CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@H]4NC(=N)NC)C5)s2)s1 ZINC000085592290 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC)C[C@@]34C[C@H](CCCCC)[C@@H]([C@H](O)CO)C4)s2)s1 ZINC000085592291 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@]35C[C@@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)[C@H](CCCO)C5)s2)s1 ZINC000085592292 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@]4([C@@H](Cc5cc(O)cc(NC[C@H](C)O)c5)NC(=N)NC)CC[C@@H]5C[C@@H]([C@H](O)CO)C[C@]53C4)s2)s1 ZINC000085592293 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC4CCCCC4)C[C@@]34CC[C@H]([C@H](O)CO)C4)s2)s1 ZINC000085592294 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CC[C@H]([C@H](O)CO)C4)s2)s1 ZINC000085592295 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC4CCCC4)C[C@@]34CC[C@H]([C@H](O)CO)C4)s2)s1 ZINC000085592297 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4C[C@@]35CC[C@H](CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@@H]4NC(=N)NC)C5)s2)s1 ZINC000085592299 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4[C@H](NC(=N)NC5CCCCC5)[C@H](c5cc(O)cc(NC[C@H](C)O)c5)CCC5=c6ccccc6=C[C@H]3[C@H]54)s2)s1 ZINC000085592300 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]4[C@H](NC(=N)NC5CCCC5)[C@H](c5cc(O)cc(NC[C@H](C)O)c5)CCC5=c6ccccc6=C[C@H]3[C@H]54)s2)s1 ZINC000085592301 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4[C@H](NC(=N)NC)[C@@H](c5cc(O)cc(NC[C@H](C)O)c5)CCC5=c6ccccc6=C[C@H]3[C@H]54)s2)s1 ZINC000085592302 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592303 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)[C@@H]4C=c5ccc(CNC)cc5=C[C@H]43)s2)s1 ZINC000085592304 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34C[C@H](CCCCC)[C@@H]([C@H](O)CO)C4)s2)s1 ZINC000085592305 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CCC3(CCCC3)C4)s2)s1 ZINC000085592306 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H]4C[C@@]35CC[C@](CCCCC)(CC#Cc3c(cc(O)cc3NC[C@H](C)O)C[C@H]4NC(=N)NC)C5)s2)s1 ZINC000085592307 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CC[C@H](CCO)C4)s2)s1 ZINC000085592308 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC)CC34CCCC4)s2)s1 ZINC000085592309 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CC[C@@H](CNCC)C4)s2)s1 ZINC000085592310 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CC[C@H](CNC)C4)s2)s1 ZINC000085592311 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC4CCCCC4)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592313 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592314 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC4CCCC4)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592315 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CC[C@H](CCCO)C4)s2)s1 ZINC000085592316 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@]4([C@@H](Cc5cc(O)cc(NC[C@H](C)O)c5)NC(=N)NC)CC[C@@H]5CCC[C@]53C4)s2)s1 ZINC000085592317 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC4CCCCC4)CC34CCCC4)s2)s1 ZINC000085592318 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)CC34CCCC4)s2)s1 ZINC000085592319 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@H](Cc4cc(O)c5c(c4)N[C@@H]([C@H](C)O)C=C5)NC(=N)NC4CCCCC4)CC3)s2)s1 ZINC000085592320 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@@H](Cc4cc(O)c5c(c4)N[C@H]([C@H](C)O)C=C5)NC(=N)NC)CC3)s2)s1 ZINC000085592321 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@@H](Cc4cc(O)cc(O)c4)NC(=N)NC)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592322 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)C[C@@]34CC[C@H](CCCCC)C4)s2)s1 ZINC000085592323 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cc(O)cc(O)c4)NC(=N)NC)CC34CCCC4)s2)s1 ZINC000085592324 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H]4[C@H]5C(=c6ccccc6=C[C@@H]53)CC[C@H](c3cccc(O)c3)[C@@H]4NC(=N)NC)s2)s1 ZINC000085592325 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC4CCCCC4)CC3)s2)s1 ZINC000085592326 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@@H](Cc4cc(O)cc(NC[C@H](C)O)c4)NC(=N)NC)CC3)s2)s1 ZINC000085592327 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cccc(O)c4)NC(=N)NC)[C@@H]4C=c5ccc(CNC)cc5=C[C@@H]43)s2)s1 ZINC000085592328 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@H](Cc4cc(O)cc(O)c4)NC(=N)NC4CCCCC4)CC3)s2)s1 ZINC000085592329 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cccc(O)c4)NC(=N)NC4CCCCC4)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592330 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@@H](Cc4cc(O)cc(O)c4)NC(=N)NC)CC3)s2)s1 ZINC000085592331 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@H](Cc4cccc(O)c4)NC(=N)NC4CCCC4)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592332 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H]([C@@H](Cc4cccc(O)c4)NC(=N)NC)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592333 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H]([C@@H](Cc4cccc(O)c4)NC(=N)NC)CC34CCCC4)s2)s1 ZINC000085592336 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@@H](CNC(=N)NC)C[C@@]34CCC3(CCCC3)C4)s2)s1 ZINC000085592337 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=N)NC)C[C@@]34CC[C@H](CNCC)C4)s2)s1 ZINC000085592339 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=N)NC)C[C@@]34CC[C@H](CCCO)C4)s2)s1 ZINC000085592341 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](C4(NC(=N)NC)CCCC4)[C@@H]4C=c5ccccc5=C[C@@H]34)s2)s1 ZINC000085592342 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@H](CNC(=N)NC4CCCCC4)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592343 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@H](Cc4cccc(O)c4)NC(=N)NC4CCCCC4)CC3)s2)s1 ZINC000085592347 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H](CNC(=N)NC4CCCCC4)CC34CCCC4)s2)s1 ZINC000085592348 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC([C@@H](Cc4cccc(O)c4)NC(=N)NC)CC3)s2)s1 ZINC000085592349 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@H]3CC[C@H](CNC(=N)NC)C[C@@]34CC[C@H](CCCCC)C4)s2)s1 ZINC000085592351 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)[C@@H]3CC[C@@H](CNCc4ccccc4)[C@@H]4C=c5ccccc5=C[C@H]43)s2)s1 ZINC000085592352 KK Annotated Mild in-vitro biogenic CC#Cc1ccc(-c2ccc(C(=O)C3CCC(CN[C@@H](CCCCC)c4ccccc4)CC3)s2)s1 ZINC000085592361 KK Annotated Mild in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CCC5(CCCC5)C4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 ZINC000085592380 KK Annotated Reactive in-vitro biogenic O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(C3CCCCC3)=C[C@H]12 ZINC000085592405 KK Annotated Reactive in-vitro biogenic COc1cc2cc(C3CCCC3)c3c(O)c2c2c1/C=C/[C@H](C1=C4C(O)=CC=C[C+]4N=C1)OC[C@H]1O[C@H](O2)[C@H](O)[C@@H](OC#CCc2cccc4c2CN(CC3=O)C4=O)[C@@H]1O ZINC000085592445 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c4c(O)c2c2c1/C=C/[C@H](C1=C5C=CC=C[C+]5N=C1)OC[C@H]1O[C@H](O2)[C@H](O)[C@@H](OC#CCc2cccc5c2CN(CC4=O)C5=O)[C@@H]1O)[C@@H]1CCC[C@@H]1C=C3 ZINC000085592446 KK Annotated Mild in-vitro biogenic COc1cc2c3c(O)c(c4c(c3c1)C=C[C@H]1CCC[C@@H]41)C(=O)CN1Cc3c(cccc3C1=O)CC#CO[C@H]1[C@H](O)[C@@H](COCC3=C4C=CC=C[C+]4N=C3)O[C@H](O2)[C@@H]1O ZINC000085592455 KK Annotated Mild in-vitro biogenic COc1cc2c3c(O)c(c4c(c3c1)CC[C@@H]1CCC[C@H]41)C(=O)CN1Cc3c(cccc3C1=O)CC#CO[C@H]1[C@H](O)[C@@H](COCC3=C4C=CC=C[C+]4N=C3)O[C@H](O2)[C@@H]1O ZINC000085592456 KK Annotated Mild in-vitro biogenic CCN[C@H]1C=C2C=CC[C@@H]3CCCC[C@@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc(NCNC)c4)C5=O)C(=O)OC[C@@H]1C[C@@H]23 ZINC000085592560 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C[C@H]2C=CC[C@@H]3CCCC[C@](C)(Cc4ccc(N)nc4)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc(NCNC)c4)C5=O)C(=O)OC[C@H]1C[C@H]32 ZINC000085592561 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc3c1CC[C@@H](NC)N3)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000085592562 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc3c1CC[C@H](NC)N3)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000085592563 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000085592564 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000085592565 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)(C)Cc3ccc(N)nc3)c1C2=O ZINC000085592566 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CC[C@H]3CCCC[C@@H](C)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc(NCNC)c4)C5=O)C(=O)OC[C@@H]1C[C@@H]23 ZINC000085592567 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CC[C@@H]3CCCC[C@@H](C)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C=C(\C)C[C@@H](NC(=N)NC)c4ccnc(NCNC)c4)C5=O)C(=O)OC[C@@H]1C[C@@H]23 ZINC000085592568 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C[C@H]2C=CC[C@@H]3CCCC[C@H](C)Cc4cccc5c4C(=O)[C@]4(O[C@@]4(C/C(CO)=C(\C)CCc4ccnc(NCNC)c4)C5=O)C(=O)OC[C@H]1C[C@H]32 ZINC000085592569 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(NCNC)c1)C(=O)c1cccc(C[C@@]3(C)C=CC=CC3)c1C2=O ZINC000085592570 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(C[C@]3(C)C=CC=CC3)c1C2=O ZINC000085592571 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C[C@H]2C=CCC[C@@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(C[C@]3(C)C=CC=CC3)c1C2=O ZINC000085592572 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc3c1CC[C@H](NC)N3)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592573 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc3c1CC[C@H](NC)N3)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592574 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@]1(c3ccnc(NCNC)c3)CCCN=C(NC)N1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592575 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(NCNC)c3)CCCCC1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592576 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc3c1CC[C@H](NC)N3)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592577 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592578 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CCC[C@H]2C[C@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592579 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(NCNC)c3)CCCCC1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592580 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=N)NC)c3ccnc(NCNC)c3)CCCC1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592581 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1[C@H](CCCO)OC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592582 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592583 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592584 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(NCNC)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592585 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(NCNC)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592589 KK Annotated Clean in-vitro biogenic CNCNc1cc([C@H](C/C(C)=C/C[C@@]23O[C@]2(C(=O)OC[C@@H]2C[C@@H]4CCC=CC4=C[C@@H]2NCC2CCCCC2)C(=O)c2c(CC(C)C)cccc2C3=O)NC(=N)NC)ccn1 ZINC000085592590 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(NCNC)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592594 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=N)NC)c3ccnc(NCNC)c3)CCCC1)C(=O)c1ccccc1C2=O ZINC000085592595 KK Annotated Clean in-vitro biogenic CNCNc1cc([C@H](C/C(C)=C/C[C@@]23O[C@]2(C(=O)OC[C@@H]2C[C@@H]4CCC=CC4=C[C@H]2NCC2CCCCC2)C(=O)c2ccccc2C3=O)NC(=N)NC)ccn1 ZINC000085592600 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592601 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@H]2C[C@@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592602 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592604 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592605 KK Annotated Clean in-vitro biogenic CCN[C@H]1C[C@H]2C=CCC[C@@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592608 KK Annotated Clean in-vitro biogenic CCN[C@H]1C=C2C=CCC[C@H]2C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=N)NC)c3ccnc(N)c3)CCCC1)C(=O)c1ccccc1C2=O ZINC000085592611 KK Annotated Clean in-vitro biogenic CNC(=N)N[C@@H](C/C(C)=C/C[C@@]12O[C@]1(C(=O)OC[C@@H]1C[C@@H]3CCC=CC3=C[C@H]1NCC1CCCCC1)C(=O)c1ccccc1C2=O)c1ccnc(N)c1 ZINC000085592618 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592619 KK Annotated Clean in-vitro biogenic CCN[C@@H]1CC[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592620 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592621 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592622 KK Annotated Clean in-vitro biogenic CCN[C@H]1CC[C@@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592623 KK Annotated Clean in-vitro biogenic CCN[C@@H]1C=C[C@H](CC)C[C@H]1COC(=O)[C@]12O[C@@]1(C/C=C(\C)C1([C@@H](NC(=N)NC)c3ccnc(N)c3)CCCC1)C(=O)c1ccccc1C2=O ZINC000085592628 KK Annotated Clean in-vitro biogenic CC[C@@H]1C=C[C@@H](NCC2CCCCC2)[C@H](COC(=O)[C@]23O[C@@]2(C/C=C(\C)C[C@@H](NC(=N)NC)c2ccnc(N)c2)C(=O)c2ccccc2C3=O)C1 ZINC000085592635 KK Annotated Clean in-vitro biogenic C/C(CC1(c2ccnc(N)c2)CCCCC1)=C(/CO)C[C@@]12O[C@]1(C(=O)OC[C@H](O)CCc1ccccc1)C(=O)c1ccccc1C2=O ZINC000085592639 KK Annotated Clean in-vitro biogenic CCCC[C@H](CNCC)COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592643 KK Annotated Clean in-vitro biogenic CCCC[C@H](CNCC)COC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592646 KK Annotated Clean in-vitro biogenic CCCC[C@H](CNCC1CCCCC1)COC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592655 KK Annotated Clean in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592658 KK Annotated Clean in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC)c1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592660 KK Annotated Clean in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C(CO)=C(\C)CC1(c3ccnc(N)c3)CCCCC1)C(=O)c1ccccc1C2=O ZINC000085592661 KK Annotated Clean in-vitro biogenic CCCCCC1(OC(=O)[C@]23O[C@@]2(C/C=C(\C)C[C@@H](NC(=N)NC)c2ccnc(N)c2)C(=O)c2ccccc2C3=O)CCCC1 ZINC000085592673 KK Annotated Clean in-vitro biogenic CCCCCC1(OC(=O)[C@]23O[C@@]2(C/C(CO)=C(\C)CCc2ccnc(N)c2)C(=O)c2ccccc2C3=O)CCCC1 ZINC000085592676 KK Annotated Clean in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@@H](NC(=N)NC1CCCCC1)c1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592686 KK Annotated Clean in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)C[C@H](Cc1ccc(O)cc1)c1ccnc(N)c1)C(=O)c1ccccc1C2=O ZINC000085592692 KK Annotated Clean in-vitro biogenic CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)CCc1ccnc(N)c1)C(=O)c1cccc(CC(C)C)c1C2=O ZINC000085592694 KK Annotated Clean in-vitro biogenic CCCCCC1(OC(=O)[C@]23O[C@@]2(C/C=C(\C)CCc2ccnc(N)c2)C(=O)c2ccccc2C3=O)CCCC1 ZINC000085592699 KK Annotated Clean in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c5c6c(c7cc(O)ccc47)OCC[C@@H]6CCO[C@@H]52)[C@@H]3O)cc1O ZINC000085592773 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2OCCCO)[C@@H]3O)cc1O ZINC000085592775 KK Annotated Anodyne in-vitro biogenic CNC[C@H](CCO)O[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592777 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(c5c(c6cc(O)ccc46)OCCC5)[C@@H]2O)[C@@H]3O)cc1O ZINC000085592779 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2OCNC)[C@@H]3O)cc1O ZINC000085592781 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC5CCCC5)c5cc(O)ccc45)[C@@H]2O)[C@@H]3O)cc1O ZINC000085592784 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4c(c5c(c6cc(O)ccc46)OCC[C@H]5CNC)[C@@H]2O)[C@@H]3O)cc1O ZINC000085592786 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4c(cc(OC5CCCCC5)c5cc(O)ccc45)[C@@H]2O)[C@@H]3O)cc1O ZINC000085592789 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(c3c(c4cc(O)ccc24)OCCC3)[C@H](OCCCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592791 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2O)[C@@H]3O)cc1O ZINC000085592793 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2c3c4c(c5cc(O)ccc25)OCC[C@H]4CCO[C@@H]3[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592795 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](OCCCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592797 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(c3c(c4cc(O)ccc24)OCCC3)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592798 KK Annotated Anodyne in-vitro biogenic CNCCNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592801 KK Annotated Anodyne in-vitro biogenic CNCO[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592803 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC3CCCC3)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592804 KK Annotated Anodyne in-vitro biogenic CNC[C@H]1CCOc2c1c1c(c3ccc(O)cc23)O[C@H](CCCOC)[C@@H]([C@H]2COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]2O)[C@H]1O ZINC000085592806 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592809 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC3CCCCC3)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592811 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4cc(CNC)c(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592812 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](OCCCO)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592813 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(c3c1OCCC3)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592815 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC1CCCC1)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592817 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4cc(CCCO)c(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592818 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4ccc5c(c4[C@@H]2O)CCCO5)[C@@H]3O)cc1O ZINC000085592821 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592823 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC1CCCCC1)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592825 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4ccc(OC5CCCC5)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592827 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4ccc(OC5CCCCC5)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592829 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592830 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](NC)c1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592832 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2cc(CCCO)c(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592835 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc3c(c2[C@H](O)[C@@H]1[C@H]1COc2c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc2[C@H]1O)CCCO3 ZINC000085592836 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592839 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592841 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592844 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4c(cc(OC)c5cc(O)ccc45)[C@@H]2O)[C@@H]3O)cc1O ZINC000085592846 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](OCCCO)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592847 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(c3c(c4cc(O)ccc24)OCCC3)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592848 KK Annotated Anodyne in-vitro biogenic CNCCNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592849 KK Annotated Anodyne in-vitro biogenic CNCO[C@H]1c2cc(OC)c3cc(O)ccc3c2O[C@H](CCCOC)[C@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592853 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC3CCCCC3)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592855 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592860 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4cc(CNC)c(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592862 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](OCCCO)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592865 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(c3c1OCCC3)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592867 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592870 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC1CCCCC1)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592871 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OC[C@H]([C@@H]2[C@H](CCCOC)Oc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592875 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](NC)c1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592877 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2cc(CCCO)c(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592879 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc3c(c2[C@H](O)[C@@H]1[C@H]1COc2c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC)cc2[C@H]1O)CCCO3 ZINC000085592882 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c3ccc(O)cc13)OC[C@@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@H]2O ZINC000085592884 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592887 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cc(O)ccc3-c3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592889 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC)cc2[C@H](OCCc2ccnc(N)c2)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592890 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592892 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592895 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2COc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592897 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1CCCO)OC[C@@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@H]2O ZINC000085592901 KK Annotated Anodyne in-vitro biogenic Oc1cccc(-c2ccc(O)cc2Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2COc4ccc5c(c4[C@@H]2O)CCCO5)[C@@H]3O)c1 ZINC000085592903 KK Annotated Anodyne in-vitro biogenic CNCc1cc2c(cc1OC)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)[C@@H](CCCOC)O2 ZINC000085592906 KK Annotated Anodyne in-vitro biogenic Oc1cccc(-c2ccc(O)cc2Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2COc4ccc(OC5CCCC5)cc4[C@@H]2O)[C@@H]3O)c1 ZINC000085592908 KK Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3c(Cc4cc(O)ccc4-c4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592910 KK Annotated Anodyne in-vitro biogenic Oc1cccc(-c2ccc(O)cc2Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2COc4ccc(OC5CCCCC5)cc4[C@@H]2O)[C@@H]3O)c1 ZINC000085592913 KK Annotated Anodyne in-vitro biogenic CCc1ccc(Cc2cc(OC3CCCC3)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592914 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2cc(CCCO)c(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592916 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc3c(c2[C@H](O)[C@@H]1[C@H]1COc2c(Cc4cccc(O)c4)cc(OC4CCCC4)cc2[C@H]1O)CCCO3 ZINC000085592919 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592920 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592921 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC3CCCC3)cc2[C@H]1O ZINC000085592922 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cc(O)ccc2-c2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3c(cc(OC)c4cc(O)ccc34)[C@@H]1O)CO2 ZINC000085592923 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](OCCc2ccnc(N)c2)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592926 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592929 KK Annotated Anodyne in-vitro biogenic CCc1cc(-c2cccc(O)c2)c(Cc2cc(OC)cc3c2OC[C@H]([C@@H]2COc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592931 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cc(O)ccc2-c2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3cc(CCCO)c(OC)cc3[C@@H]1O)CO2 ZINC000085592932 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cc(O)ccc2-c2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc4c(c3[C@@H]1O)CCCO4)CO2 ZINC000085592933 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cc(O)ccc2-c2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1O)CO2 ZINC000085592935 KK Annotated Anodyne in-vitro biogenic COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](OCCc2ccnc(N)c2)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592936 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cc(O)ccc2-c2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC4CCCCC4)cc3[C@@H]1O)CO2 ZINC000085592937 KK Annotated Anodyne in-vitro biogenic CCc1ccc(Cc2cc(OC)cc3c2OC[C@H]([C@@H]2[C@@H](CCCOC)Oc4ccc(OC)cc4[C@@H]2O)[C@@H]3O)cc1O ZINC000085592938 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2c(cc(OC)c3cc(O)ccc23)[C@H](O)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592939 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2c(Cc3cccc(O)c3)cc(OC)cc2[C@H]1O ZINC000085592945 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592957 KK Annotated Anodyne in-vitro biogenic COCCC[C@H]1Oc2ccc(OC3CCCCC3)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC3CCCC3)cc2[C@H]1O ZINC000085592958 KK Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@H](O)[C@H]([C@H]1COc3c(Cc4cccc(O)c4)cc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592962 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC)cc3[C@@H]1OCCc1ccnc(N)c1)CO2 ZINC000085592968 KK Annotated Anodyne in-vitro biogenic COc1ccc2c(c1)[C@H](OCCc1ccnc(N)c1)[C@H]([C@H]1COc3ccc(OC4CCCC4)cc3[C@H]1O)CO2 ZINC000085592982 KK Annotated Anodyne in-vitro biogenic COc1cc(Cc2cccc(O)c2)c2c(c1)[C@@H](O)[C@@H]([C@@H]1COc3ccc(OC4CCCCC4)cc3[C@@H]1O)CO2 ZINC000085593001 KK Annotated Anodyne in-vitro biogenic CC(=O)Oc1ccc2c(c1/C=C/c1ccccc1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O)c(Cc3cccc(C4(O)CCCCC4)c3)c(O)c1C2=O ZINC000085593386 KK Annotated Clean in-vitro biogenic Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c(O)c2c(=O)c1C ZINC000085593625 KK Annotated Bother Cc1oc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)O[C@H](C)[C@@H](C)C6=O)c(O)cc(O)c3c(O)c2c(=O)c1C ZINC000085593627 KK Annotated Bother CNC[C@@H]1C[C@@H]2CC[C@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)OC(C)(C)[C@@H]1OC(=O)[C@@]21O[C@@H]1CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000085593826 KK Annotated Anodyne in-vitro biogenic CNC[C@@H]1C[C@@H]2CC[C@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)OC(C)(C)[C@@H]1OC(=O)[C@]21O[C@@H]1CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000085593828 KK Annotated Anodyne in-vitro biogenic CNC[C@@H]1CC[C@]2(O[C@@H]2CCc2cc(N)nc3c2CCCc2c-3cc(C[N+]3=CC4=CC=NC4=C3)nc2N)C(=O)O[C@@H]2[C@H](C1)c1c(cc3oc(C)cc(=O)c3c1O)OC2(C)C ZINC000085593830 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CC[C@@H](CNC)C[C@@H]3c5c(cc6oc(C)cc(=O)c6c5O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593833 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]34CC[C@@H](CNC)C[C@@H]3c5c(cc6oc(C)cc(=O)c6c5O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593835 KK Annotated Anodyne in-vitro biogenic CNCC[C@@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O ZINC000085593839 KK Annotated Reactive in-vitro biogenic CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O ZINC000085593841 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O ZINC000085593843 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCC[C@H]3[C@H]1OC4=O ZINC000085593845 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(CCCO)C(=O)O[C@@H]1C3 ZINC000085593846 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(CCCO)C(=O)O[C@@H]1C3 ZINC000085593848 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS2 ZINC000085593850 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS2 ZINC000085593852 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 ZINC000085593855 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)[C@@H]2C=C[C@@H](CC2)[C@H]31 ZINC000085593876 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)[C@@H]2C=C[C@@H](CC2)[C@H]31 ZINC000085593878 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)C2CCC(CC2)[C@@H]31 ZINC000085593880 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)C2CCC(CC2)[C@@H]31 ZINC000085593883 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C[N+]3=CC4=CC=NC4=C3)c2)c1 ZINC000085593886 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1CCCc1c-2cc(C[N+]2=CC3=CC=NC3=C2)nc1N ZINC000085593889 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CCCC[C@@H]3c5c(cc6oc(C)cc(=O)c6c5O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593891 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]34CCCC[C@@H]3c5c(cc6oc(C)cc(=O)c6c5O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593892 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)[C@@H]2C=C[C@@H](C2)[C@H]31 ZINC000085593894 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4cc(N)nc(C[N+]5=CC6=CC=NC6=C5)c4)c2)[C@@H]2C=C[C@@H](C2)[C@H]31 ZINC000085593896 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@]12CC[C@@H](C[C@H]31)C[C@]1(O[C@@H]1CCc1cc(N)nc(-c3cc(N)nc(C[N+]4=CC5=CC=NC5=C4)c3)c1)C(=O)O2 ZINC000085593903 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@]12CC[C@@H](C[C@H]31)C[C@@]1(O[C@@H]1CCc1cc(N)nc(-c3cc(N)nc(C[N+]4=CC5=CC=NC5=C4)c3)c1)C(=O)O2 ZINC000085593905 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1CCc1c-2cc(C[N+]2=CC3=CC=NC3=C2)nc1N ZINC000085593908 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1CCCc1c-2cc(C[N+]2=CC3=CC=NC3=C2)nc1N ZINC000085593910 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CCC[C@H]3c5c(cc6oc(C)cc(=O)c6c5O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593912 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 ZINC000085593924 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCC[C@H]3[C@H]1OC4=O ZINC000085593929 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CCc1cc(N)nc(-c2cc(N)nc(C(C)C)c2)c1 ZINC000085593939 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 ZINC000085593942 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1ccnc(N)c1CSS2 ZINC000085593948 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1ccnc(N)c1CSS2 ZINC000085593950 KK Annotated Reactive in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 ZINC000085593951 KK Annotated Reactive in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc(=O)c5c4O)OC3(C)C)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593953 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc(=O)c5c4O)OC3(C)C)cc(N)n2)cc(C[N+]2=CC3=CC=NC3=C2)n1 ZINC000085593956 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31 ZINC000085593971 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(O[C@@H]2CCc2cc(N)nc(-c4ccnc(N)c4)c2)C2CCC(CC2)[C@@H]31 ZINC000085593972 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2CC1(c2cc(N)nc(-c3ccnc(N)c3)c2)CCCC1 ZINC000085593975 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1CCCc1c-2ccnc1N ZINC000085593980 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]34CCCC[C@H]3c5c(cc6oc(C)cc(=O)c6c5O)OC(C)(C)[C@@H]3OC4=O)cc(N)n2)ccn1 ZINC000085593982 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CCc1cc(N)nc2c1ccc1ccccc12 ZINC000085594005 KK Annotated Bother in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CC1(c2cc(N)nc(-c4ccnc(N)c4)c2)CCCC1)C3 ZINC000085594012 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CC1(c2cc(N)nc(-c4ccnc(N)c4)c2)CCCC1)C3 ZINC000085594017 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc(=O)c5c4O)OC3(C)C)cc(N)n2)ccn1 ZINC000085594028 KK Annotated Anodyne in-vitro biogenic CCCCCNc1cc(-c2cc(CC[C@H]3O[C@@]3(C)C(=O)O[C@@H]3Cc4c(cc5oc(C)cc(=O)c5c4O)OC3(C)C)cc(N)n2)ccn1 ZINC000085594030 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCCC[C@@H]31)O[C@@H]2CC1(c2ccnc(N)c2)CCCC1 ZINC000085594048 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCCC[C@H]31)O[C@@H]2Cc1cccc([C@@H](N)NCCC(C)C)c1 ZINC000085594050 KK Annotated Anodyne in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc2c1ccc1ccccc12)C3 ZINC000085594065 KK Annotated Bother in-vitro biogenic Cc1cc(=O)c2c(O)c3c(cc2o1)OC(C)(C)[C@H](OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc2c1ccc1ccccc12)C3 ZINC000085594066 KK Annotated Bother in-vitro biogenic CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000085594119 KK Annotated Anodyne C[C@@]1(O)CCC[C@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(N=C(N)N)CSS[C@@H]4CO)O[C@@H]21 ZINC000085594332 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)CC[C@@]6(O)C[C@@](CO)(N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594336 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)C=C[C@@]6(O)C3(CCCC3)[C@@](CO)(N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594338 KK Annotated Reactive in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@@](CO)(N=C(N)N)CSSC3)O1 ZINC000085594350 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@@]6(O)C[C@@H](N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594352 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@@]6(O)C[C@H](N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594354 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@@H](N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594358 KK Annotated Reactive in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)CC[C@@]5(O)C[C@@H](N=C(N)N)CSSC3)O1 ZINC000085594361 KK Annotated Reactive in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@@H](N=C(N)N)CSSC3)O1 ZINC000085594363 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@H]2c3c(c4c5oc(cc(=O)c5c3OC3CCCC3)[C@H](O)C3(CCCC3)[C@H](N=C(N)N)CSSC4)O[C@@H]21 ZINC000085594377 KK Annotated Reactive in-vitro biogenic CC(C)CCc1c2oc3c(c4c(c(OC5CCCC5)c3c1=O)[C@H]1CCC[C@@](C)(O)[C@H]1O4)CSSC[C@H](N=C(N)N)C[C@H]2O ZINC000085594383 KK Annotated Reactive in-vitro biogenic C[C@@]1(O)CCC[C@@H]2c3c(cc4oc5c(c(=O)c4c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@@H]5O)O[C@@H]21 ZINC000085594389 KK Annotated Anodyne in-vitro biogenic C[C@@]1(O)CCC[C@H]2c3c(cc4oc5c(c(=O)c4c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)CC[C@@H]5O)O[C@@H]21 ZINC000085594391 KK Annotated Anodyne in-vitro biogenic CC(C)c1c2c(c(OC3CCCC3)c3c(=O)c4c(oc13)[C@H](O)C=C[C@H]4c1ccc(NO)cc1)C[C@@H](C(C)(C)O)O2 ZINC000085594397 KK Annotated Anodyne in-vitro biogenic CC(C)c1c2c(c(OC3CCCC3)c3c(=O)c4c(oc13)[C@@H](O)CC[C@@H]4c1ccc(NO)cc1)C[C@@H](C(C)(C)O)O2 ZINC000085594399 KK Annotated Anodyne in-vitro biogenic CC(C)(O)[C@@H]1Cc2c(cc3oc4c(c(=O)c3c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)CC2(CCCC2)[C@@H]4O)O1 ZINC000085594407 KK Annotated Anodyne in-vitro biogenic CC(C)c1c2c(c(OC3CCCC3)c3c(=O)c(Cc4ccc(NO)cc4)c(CO)oc13)C[C@@H](C(C)(C)O)O2 ZINC000085594415 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@H]3C[C@@H]4C(=O)C=C[C@H]5[C@H]([C@@H]3N5C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2)[C@H]4NC ZINC000085594529 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCCO)c(=O)oc5cc1O2)[C@H]34 ZINC000085594536 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 ZINC000085594550 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]34 ZINC000085594560 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC2=C3CSS[C@@H]4C[C@H](C#CC2)[C@H](NC)[C@@H]2CN(C(=O)Cc5cnc(N)cc5[C@@H]3[C@]13Cc1cc5ccc(=O)oc5cc1O3)[C@@H]24 ZINC000085594568 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 ZINC000085594571 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 ZINC000085594574 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 ZINC000085594577 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]34 ZINC000085594578 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594583 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 ZINC000085594586 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594592 KK Annotated Reactive in-vitro biogenic C/C=C(\CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594594 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594598 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@H]3[C@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594601 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 ZINC000085594602 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 ZINC000085594604 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 ZINC000085594605 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594606 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594607 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594610 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 ZINC000085594612 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594613 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594616 KK Annotated Reactive in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@H](c2cc(N)ncc2CC(=O)N2C[C@@H](CNC)[C@@H]2CCC(C)C)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594626 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@H](c2ccc(N)nc2)[C@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 ZINC000085594636 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)nc2)[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 ZINC000085594644 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@H](c2ccc(N)nc2)[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 ZINC000085594646 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC=C[C@@H](c2cc(N)ncc2CC(=O)N2CC[C@@H]2CCC(C)C)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594651 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)nc2)[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 ZINC000085594653 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@]1(C)Cc2ccccc2[C@@H](c2ccc(N)nc2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594661 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@]1(C)CC[C@@H](CCCOC)[C@H](c2ccnc(N)c2)[C@]12Cc1cc3ccc(=O)oc3cc1O2 ZINC000085594664 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)OC(C)(C)[C@]1(Cc2cc(N)ncc2CC(=O)N2CC[C@@H]2CCC(C)C)Cc2cc3ccc(=O)oc3cc2O1 ZINC000085594671 KK Annotated Anodyne in-vitro biogenic CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)C[C@H](O)[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C ZINC000085594745 KK Annotated Anodyne C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@@H]2CCc4cc(NCC)ncc4C[C@@H]2[C@]1(C)O3 ZINC000085595081 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2cnc4c(c2)CC[C@H](C)N4)[C@]1(C)O3 ZINC000085595082 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2cnc4c(c2)C=C[C@@H](C)N4)[C@]1(C)O3 ZINC000085595083 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000085595085 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2cnc4c(c2)CC[C@H](C)N4)[C@]1(C)O3 ZINC000085595088 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2cnc4c(c2)C=C[C@@H](C)N4)[C@]1(C)O3 ZINC000085595090 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3)C1(O)CCCC1 ZINC000085595091 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000085595093 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3 ZINC000085595096 KK Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(NCC)nc2)[C@]1(C)O3 ZINC000085595098 KK Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)[C@@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3 ZINC000085595099 KK Annotated Anodyne in-vitro biogenic C/C=C(/CO)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](c4c2ccnc4N)[C@@H]2CCc4cc(N)ncc4C[C@H]2[C@]1(C)O3 ZINC000085595101 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@@H](C[C@H](Cc4cnc5c(c4)C=C[C@@H](C)N5)[C@]1(C)O3)c1c2ccnc1N ZINC000085595103 KK Annotated Anodyne in-vitro biogenic C/C=C(/CNCC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595104 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595106 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3)C1CCCC1 ZINC000085595107 KK Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]2c4ccnc(N)c4[C@@H](CCc4ccc(O)cc4[C@H]2CO)C[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595109 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@H](c4c2ccnc4N)[C@@H]2CCc4cc(N)ncc4C[C@H]2[C@]1(C)O3 ZINC000085595112 KK Annotated Anodyne in-vitro biogenic C/C=C(/CCNC)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@@H](C[C@H](Cc4ccc(NCC)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000085595113 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]([C@H](CO)c2cccc(O)c2)c2ccnc(N)c2C[C@H]2CCc4cc(N)ncc4C[C@@H]2[C@]1(C)O3 ZINC000085595116 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@H]2Cc4cc(O)ccc4CC[C@@H](C[C@H](Cc4ccc(N)nc4)[C@]1(C)O3)c1c2ccnc1N ZINC000085595119 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@](CO)(c2cccc(O)c2)C#CC[C@H](Cc2ccc(N)nc2)[C@]1(C)O3)C1CCCC1 ZINC000085595126 KK Annotated Mild in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H]([C@H](CO)c2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3)C1CCCC1 ZINC000085595127 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@@H](c3ccnc(N)c3)[C@H](CO)c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595138 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@H](c2cccc(O)c2)C#CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595148 KK Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](Cc2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3 ZINC000085595150 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](c2ccnc(N)c2)[C@@H](c2cccc(O)c2)C#CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3)C1CCCC1 ZINC000085595151 KK Annotated Mild in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)[C@@H](Cc2cccc(O)c2)c2ccnc(N)c2CC[C@@H](Cc2ccc(N)nc2)[C@]1(C)O3)C1CCCC1 ZINC000085595152 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595161 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c(c([C@@H](c3ccnc(N)c3)[C@H](CO)c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595163 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@@H](c3ccnc(N)c3)[C@H](CO)c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)nc1 ZINC000085595169 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@@H]3c4ccnc(N)c4C=C[C@H]3c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595170 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595183 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2ccnc(N)c2C2=CC4(CCCCC4)C4=C2[C@H](Cc2cnc(N)cc2C4)[C@]1(C)O3 ZINC000085595185 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595187 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2ccnc(N)c2C2=CC4(CCCC4)C4=C2[C@H](Cc2cnc(N)cc2C4)[C@]1(C)O3 ZINC000085595191 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)nc1 ZINC000085595193 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595202 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c3c(c4oc(CO)cc(=O)c4c2O)Cc2ccnc(N)c2C2=CCC4=C2[C@H]([C@H](CCCCC)c2cnc(N)cc2C4)[C@]1(C)O3 ZINC000085595211 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595217 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c([C@@H]3c4ccnc(N)c4C=C[C@H]3c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)OC1(C)C ZINC000085595237 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(Cc3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)nc1 ZINC000085595249 KK Annotated Anodyne in-vitro biogenic C/C=C(\C(=O)O[C@@H]1Cc2c(c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c3oc(CO)cc(=O)c3c2O)OC1(C)C)C1CCCC1 ZINC000085595256 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(=O)c3c2O)O[C@@]1(C)[C@H](CCc1ccccc1)Cc1ccc(N)nc1 ZINC000085595264 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C1CCCCC1 ZINC000085595267 KK Annotated Anodyne in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1Cc2c(c(-c3cccc(O)c3)c3oc(CO)cc(=O)c3c2O)O[C@@]1(C)C1CCCC1 ZINC000085595270 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)cc(-c4ccccc4)c3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595436 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)cc(-c5ccccc5)c4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595438 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)cc(-c5ccccc5)c4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(c3ccc4ccccc4c3)C2)ccc1O ZINC000085595440 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5cccc(CO)c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000085595443 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(=O)Cc5ccc6cc(O)ccc6c5)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000085595445 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2cccc(CO)c2)C[C@H]2c3cc(OC)c(O)cc3C[C@H](CCCO)[C@H]21 ZINC000085595447 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)ccc3c2)C[C@@H]2c3cc(OC)c(O)cc3C[C@@H](CCCO)[C@H]21 ZINC000085595448 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2cccc(CO)c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595451 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(c3ccc4ccccc4c3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2cccc(CO)c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595452 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)C2(c3ccc4cc(O)ccc4c3)CCCC2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595454 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)ccc3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595457 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(c3ccc4ccccc4c3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2ccc3cc(O)ccc3c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595459 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3cccc(CO)c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@@H](CO)[C@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595461 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)ccc4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@@H](CO)[C@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595463 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@H]2Cc3cc(OC)c(O)cc3C[C@]2(/C=C/c2ccccc2)[C@H]2CCc3cc(O)c(OC)cc3[C@@H]2C1)c1cccc(CO)c1 ZINC000085595465 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1CC[C@@H]3Cc4cc(O)c(OC)cc4[C@H]4C[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@H](C2)[C@]1(/C=C/c1ccccc1)[C@@H]43 ZINC000085595467 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@H]2c3cc(OC)c(O)cc3C[C@@H](CCCO)[C@H]21 ZINC000085595469 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3cccc(CO)c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595471 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3cccc(CO)c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(c3ccc4ccccc4c3)C2)ccc1O ZINC000085595473 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)C3(c4ccc5cc(O)ccc5c4)CCCC3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595475 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)CCc2ccccc2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595476 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595477 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(c3ccc4ccccc4c3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595478 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)ccc4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595479 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)C2CCCC2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595482 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)ccc4c3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(c3ccc4ccccc4c3)C2)ccc1O ZINC000085595483 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@@]1(/C=C/c3ccccc3)[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)C2CCCCC2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595484 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4[C@@H](CO)[C@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595486 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C(=O)O[C@H]1C[C@@H](c2ccc(O)c(OC)c2)C[C@]2(/C=C/c3ccccc3)Cc3cc(O)c(OC)cc3C[C@H]2[C@H](OC(C)=O)C1)c1cccc(CO)c1 ZINC000085595487 KK Annotated Anodyne in-vitro biogenic CCCCCCC(=O)O[C@@H]1C[C@@H](OC(C)=O)[C@H]2Cc3cc(OC)c(O)cc3C[C@]2(/C=C/c2ccccc2)[C@H]2CCc3cc(O)c(OC)cc3[C@@H]2C1 ZINC000085595490 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595492 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)CCc3ccccc3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595493 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(c3ccc4ccccc4c3)C2)ccc1O ZINC000085595494 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)C3CCCC3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595495 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)C3CCCCC3)C[C@@H](OC(C)=O)[C@@H]3Cc4cc(OC)c(O)cc4C[C@@]3(/C=C/c3ccccc3)C2)ccc1O ZINC000085595496 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C[C@H]1[C@H](C2)[C@H](OC(C)=O)C[C@@H](OC(=O)Cc2cccc(CO)c2)C[C@H]2c3cc(OC)c(O)cc3CC[C@@H]21 ZINC000085595498 KK Annotated Anodyne in-vitro biogenic CCCCCCC(=O)O[C@H]1C[C@@H](c2ccc(O)c(OC)c2)C[C@]2(/C=C/c3ccccc3)Cc3cc(O)c(OC)cc3C[C@H]2[C@H](OC(C)=O)C1 ZINC000085595501 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@]23CC[C@]4(Cc5cc(O)c(OC)cc5C[C@@H]4[C@H](OC(C)=O)C[C@@H](OC(=O)Cc4cccc(CO)c4)C2)C3)ccc1O ZINC000085595503 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C#CCc3cc(O)c(OC)cc3CC[C@H](OC(C)=O)C[C@@H](OC(=O)Cc3ccc4cc(O)ccc4c3)C2)ccc1O ZINC000085595511 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)Cc3ccc4cc(O)ccc4c3)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4C[C@H]3C2)ccc1O ZINC000085595513 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C(=O)O[C@@H]1C[C@@H](OC(C)=O)CCc2cc(OC)c(O)cc2CC#C[C@@H](c2ccc(O)c(OC)c2)C1)c1cccc(CO)c1 ZINC000085595518 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)O[C@H]1C[C@H](c2ccc(O)c(OC)c2)C[C@H]2Cc3cc(O)c(OC)cc3C[C@H]2[C@H](OC(C)=O)C1)c1cccc(CO)c1 ZINC000085595521 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C#CCc3cc(O)c(OC)cc3CC[C@H](OC(C)=O)C[C@@H](OC(=O)CCc3ccccc3)C2)ccc1O ZINC000085595524 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)CCc3ccccc3)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4C[C@H]3C2)ccc1O ZINC000085595525 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C#CCc3cc(O)c(OC)cc3CC[C@H](OC(C)=O)C[C@@H](OC(=O)C3CCCC3)C2)ccc1O ZINC000085595530 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)C3CCCC3)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4C[C@H]3C2)ccc1O ZINC000085595532 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C#CCc3cc(O)c(OC)cc3CC[C@H](OC(C)=O)C[C@@H](OC(=O)C3CCCCC3)C2)ccc1O ZINC000085595534 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2C[C@H](OC(=O)C3CCCCC3)C[C@@H](OC(C)=O)[C@H]3Cc4cc(OC)c(O)cc4C[C@H]3C2)ccc1O ZINC000085595536 KK Annotated Anodyne in-vitro biogenic CCCCCCC(=O)O[C@@H]1C[C@@H](OC(C)=O)CCc2cc(OC)c(O)cc2CC#C[C@@H](c2ccc(O)c(OC)c2)C1 ZINC000085595540 KK Annotated Mild in-vitro biogenic CCCCCCC(=O)O[C@H]1C[C@@H](c2ccc(O)c(OC)c2)C[C@@H]2Cc3cc(O)c(OC)cc3C[C@@H]2[C@H](OC(C)=O)C1 ZINC000085595542 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595561 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@H]5CNCCC#C[C@@]6(C=CC[C@H](C)C6)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595564 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@H]5CNCCC#C[C@H](CC(C)C)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000085595566 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1[C@H]1C=CC[C@H](C)C1 ZINC000085595572 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H]5CNCCC#C[C@H](CC(C)C)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595574 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(C[C@@H](NC[C@H](C)O)C[C@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000085595576 KK Annotated Reactive in-vitro biogenic CNC[C@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1[C@H]1C=CC[C@@H](C)C1 ZINC000085595581 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1[C@H]1CCC[C@@H](C)C1 ZINC000085595583 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1CCC(C)C ZINC000085595585 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1CCC(C)C ZINC000085595588 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC[C@]12CC[C@@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc1cc(OC)c(O)c(OCO)c1)[C@H](O)C[C@@H](OCO)CC3)C2 ZINC000085595589 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(CCC[C@@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000085595596 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H](CNC5CCCCC5)[C@H](CCC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595600 KK Annotated Reactive in-vitro biogenic CCCCC[C@H]1CC[C@]2(CC[C@@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@@H](OCO)CC4)C2)C1 ZINC000085595602 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O ZINC000085595617 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595626 KK Annotated Reactive in-vitro biogenic COc1cc(C[C@@H]2[C@@H](O)CSSC3(CCCCC3)c3cc(O)c(OC4CCCCC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O ZINC000085595641 KK Annotated Reactive in-vitro biogenic COc1cc(CC[C@H](O)C2([C@H](CCc3ccc(O)c(OC4CCCCC4)c3)OCO)CCCC2)cc(OC)c1O ZINC000085595687 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C[C@H](CCc2ccc(O)c(O[C@H]3CCC4(CCCC4)C3)c2)OCO)cc(OC)c1O ZINC000085595701 KK Annotated Anodyne in-vitro biogenic CC[C@H](Cc1ccc(O)c(OC2CCCCC2)c1)[C@@H](C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1)OCO ZINC000085595710 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](O)C2([C@@H](O)CCc3ccc(O)c(OC4CCCCC4)c3)CCCC2)cc(OC)c1O ZINC000085595722 KK Annotated Anodyne in-vitro biogenic CC[C@H](Cc1ccc(O)c(OC2CCCCC2)c1)[C@H](O)C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1 ZINC000085595741 KK Annotated Anodyne in-vitro biogenic CC[C@@H](O)NCC1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595763 KK Annotated Anodyne in-vitro biogenic CCCNCC1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595764 KK Annotated Anodyne in-vitro biogenic CCCN[C@H]1CCCc2c(O)c(OC)cc3c2C1=C[C@@H]1CCCC[C@H]1[C@H]3CC(=O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085595766 KK Annotated Anodyne in-vitro biogenic CCCN[C@@H](CNC)C1=C[C@H]2CCCC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595769 KK Annotated Anodyne in-vitro biogenic CCCNCC1=C[C@H]2CC[C@H](CCO)C[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595772 KK Annotated Anodyne in-vitro biogenic CCCNCC1=C[C@H]2CC3(CCCC3)CC[C@@H]2[C@@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595774 KK Annotated Anodyne in-vitro biogenic CCCNCC1=C2C=C[C@H]3CC[C@H]([C@@H]2C3)[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595776 KK Annotated Anodyne in-vitro biogenic CCCNCC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595779 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C(CNC3CCCCC3)=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595786 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1CCCc2c(O)c(OC)cc3c2C1=C[C@H]1CCCC[C@H]1[C@H]3CC(=O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O ZINC000085595788 KK Annotated Anodyne in-vitro biogenic CNCC1=C[C@H]2CC[C@H](CCO)C[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595789 KK Annotated Anodyne in-vitro biogenic CNCC1=C[C@H]2CC3(CCCC3)CC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595791 KK Annotated Anodyne in-vitro biogenic CNCC1=C2C=C[C@H]3CC[C@H]([C@@H]2C3)[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595793 KK Annotated Anodyne in-vitro biogenic CNCC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595795 KK Annotated Anodyne in-vitro biogenic CNCCNCC1=C[C@H]2CCCC[C@@H]2[C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OC)c2)OC(C)=O)c2cc(OC)c(O)cc21 ZINC000085595797 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C(CNCCC(C)C)=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595800 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)C=C[C@H]1CCCC[C@@H]1[C@H]2CC(=O)C[C@@H](CCc1ccc(O)c(OCCO)c1)OC(C)=O ZINC000085595804 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C(CCCO)=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595809 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C=C3C=C[C@H]4CC[C@@H]2[C@@H]3C4)OC(C)=O)ccc1O ZINC000085595813 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C=C[C@H]3CC[C@@H](CCO)C[C@@H]32)OC(C)=O)ccc1O ZINC000085595815 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)C2CCC3(CCCC3)CC2)ccc1O ZINC000085595819 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C=C[C@H]3CC4(CCCC4)CC[C@@H]32)OC(C)=O)ccc1O ZINC000085595823 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](O)[C@H](CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2CCC3(CCCC3)CC2)OC(C)=O)ccc1O ZINC000085595825 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H](CC(=O)C[C@@H](CCc2ccc(O)c(OCCO)c2)OC(C)=O)C2CCCCC2)ccc1O ZINC000085595828 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@H]2c3cc(OC)c(O)cc3C=C[C@H]3CCCC[C@@H]32)OC(C)=O)ccc1O ZINC000085595830 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@@H](c2ccc(O)c(OC)c2)[C@@H]2CCC[C@H](CCO)C2)OC(C)=O)ccc1O ZINC000085595835 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2CCC3(CCCC3)CC2)OC(C)=O)ccc1O ZINC000085595840 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1OCc1c(C(O)O)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595884 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)c4c5c(c(O)cc6c5c3C=C[C@@H]6C)[C@H](C#CO2)CC4)c1 ZINC000085595886 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(C(O)O)cc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000085595889 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1C[C@H](CO)CCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595892 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CC[C@H](CO)C[C@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@@H]5C)CC#CO2)c1 ZINC000085595893 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)c3c4c(c(O)cc5c4c1C=C[C@@H]5C)[C@H](C#CO[C@@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2)CC3 ZINC000085595894 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@@H]4C)CC#CO[C@@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595897 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)c4c5c(c(O)cc6c5c3C=C[C@@H]6C)[C@H](C#CO2)CC4)c1 ZINC000085595899 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@@H]5C)CC#CO2)c1 ZINC000085595901 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3c(CO)cc4c(c(O)cc5c4c3C=C[C@@H]5C)CC#CO2)c1 ZINC000085595904 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595906 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3cc4c5c(c(O)cc6c5c3C=C[C@H]6C)[C@H](C#CO2)CC4)c1 ZINC000085595909 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=C(CCCO)C(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000085595910 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@@H]5C)C3(C#CO2)CCCC3)c1 ZINC000085595911 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@@H]4C)C1(C#CO[C@@H](C[C@@H]3C=C(O)C=C[C@@H]3CCCCc3cccc(NC[C@H](C)O)c3)CC(=O)CC2)CCCC1 ZINC000085595912 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595914 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000085595917 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)[C@H](Cc3ccccc3)C#CO2)c1 ZINC000085595919 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c1c(O)cc1c3c2C=C[C@H]1C ZINC000085595923 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3cc4c5c(c(O)cc6c5c3C=C[C@@H]6C)[C@H](C#CO2)CC4)c1 ZINC000085595926 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@H]2C=C(CCCO)C(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@@H]5C)CC#CO2)c1 ZINC000085595928 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NCCCC(C)C)c1)CC(=O)CC2 ZINC000085595929 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)C3(C#CO2)CCCC3)c1 ZINC000085595931 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)c1 ZINC000085595933 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(O)c1)CC(=O)CC2 ZINC000085595936 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)cccc1NC(=N)NC ZINC000085595939 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1c(CO)cc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085595940 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NCCCCC(C)C)c1)CC(=O)CC2 ZINC000085595942 KK Annotated Mild in-vitro biogenic CCC[C@@H]1OC(=O)/C(C)=C/[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085595944 KK Annotated Anodyne COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@@H]4C)CC#CO[C@@H](C[C@]1(CCO)C=C(O)C=C[C@@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085595945 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3cc(CO)c(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC(=N)NC)c1)OC#CC2 ZINC000085595947 KK Annotated Mild in-vitro biogenic CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCCCCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085595948 KK Annotated Anodyne CCc1cc(O)c2c3cc(CO)c(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)OC#CC2 ZINC000085595951 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)[C@H](Cc1ccccc1)C#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085595953 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1CC[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595955 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)OC#CC2 ZINC000085595957 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3CC[C@H]5C)CC#CO2)c1 ZINC000085595959 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)cc5c4c3C=C[C@H]5C)CC#CO2)cccc1NCC ZINC000085595963 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3c4c(c(O)cc5c4c1C=C[C@@H]5C)[C@H](C#CO[C@@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1ccccc1)CC(=O)CC2)CC3 ZINC000085595965 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC(=N)NC)c1)OC#C[C@@H]2Cc1ccccc1 ZINC000085595966 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)C1(C#CO[C@@H](C[C@H]3C=C(O)C=C[C@H]3CCCCc3ccccc3)CC(=O)CC2)CCCC1 ZINC000085595970 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1C=C[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085595971 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3c4cc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)OC#C[C@H]2CC4 ZINC000085595974 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(NC(=N)NC)c1)OC#CC2 ZINC000085595976 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)OC#CC2 ZINC000085595979 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)OC#CC21CCCC1 ZINC000085595981 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC(=N)NC)c1)OC#CC21CCCC1 ZINC000085595983 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@@H]1CCCCc1cccc(NC(=N)NC)c1)OC#CC2 ZINC000085595985 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c1c(O)cc(CC)c3c2 ZINC000085595987 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3ccc(O)c(c3cc1CO)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085595989 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3cc4ccc(O)c(c4cc3CO)CC#CO2)c1 ZINC000085595991 KK Annotated Mild in-vitro biogenic CCCCCc1ccccc1CCCC[C@@H]1C=CC(O)=C[C@H]1C[C@H]1CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(c(O)cc4c3c2C=C[C@H]4C)CC#CO1 ZINC000085595994 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000085595996 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)[C@H](Cc3ccccc3)C#CO2)c1 ZINC000085596000 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3cc(CO)c(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@@H]1CCCCc1ccccc1)OC#CC2 ZINC000085596001 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@]1(CCO)C=C(O)C=C[C@H]1CCCCc1ccccc1)OC#CC2 ZINC000085596002 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3c4c(c(O)ccc4c1)[C@@H](C#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2)CC3 ZINC000085596003 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)cc4c3c1CC[C@H]4C)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085596004 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085596006 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3cc4c5c(c(O)ccc5c3)[C@@H](C#CO2)CC4)c1 ZINC000085596007 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCC[C@H]2C=C(CCCO)C(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)c1 ZINC000085596010 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)C3(C#CO2)CCCC3)c1 ZINC000085596012 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)C1(C#CO[C@@H](C[C@H]3C=C(O)C=C[C@H]3CCCCc3cccc(NC[C@H](C)O)c3)CC(=O)CC2)CCCC1 ZINC000085596014 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085596016 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)OC#C[C@H]2Cc1ccccc1 ZINC000085596019 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)c1 ZINC000085596021 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c1c(O)ccc3c2 ZINC000085596024 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C(CCCO)=C[C@H]1CCCCc1ccccc1)OC#CC2 ZINC000085596026 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)OC#CC21CCCC1 ZINC000085596028 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)OC#CC2 ZINC000085596030 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)c1 ZINC000085596032 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#COC1(CCC(CCCCc3cccc(NC[C@H](C)O)c3)CC1)CC(=O)CC2 ZINC000085596034 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1cccc(O)c1)CC(=O)CC2 ZINC000085596036 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCC2CCC3(CC2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc4c(c(O)ccc4c2)CC#CO3)c1 ZINC000085596037 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@]1(C=C[C@H](CCCCc3cccc(NC[C@H](C)O)c3)CC1)CC(=O)CC2 ZINC000085596040 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](CCCCCCCc1cccc(NC[C@H](C)O)c1)OC#CC2 ZINC000085596042 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C[C@]3(CC2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc4c(c(O)ccc4c2)CC#CO3)c1 ZINC000085596043 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](CCCCCCCc1cccc(NC(=N)NC)c1)OC#CC2 ZINC000085596045 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3ccc(O)c(c3cc1CO)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085596048 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@@]1(CCO)C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085596049 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3ccc(O)c(c3cc1CO)CC#CO[C@@H](CCCCCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085596052 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3cc4ccc(O)c(c4cc3CO)CC#CO2)c1 ZINC000085596053 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)[C@@H](Cc1ccccc1)C#CO[C@@H](C[C@H]1C=C(O)C=C[C@@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085596055 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](CC1(CCCCCc3cccc(NC[C@H](C)O)c3)CCCC1)CC(=O)CC2 ZINC000085596057 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCC2(C[C@H]3CC(=O)CCc4ccc(OC)c(c4)OCc4ccc5c(c(O)ccc5c4)CC#CO3)CCCC2)c1 ZINC000085596060 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](CCCCCCCc1cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c1)CC(=O)CC2 ZINC000085596062 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)[C@@H](CCO)C#CO[C@@H](CCCCCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085596065 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)[C@H](CCO)C#CO2)c1 ZINC000085596068 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)[C@@H](Cc3ccccc3)C#CO2)c1 ZINC000085596069 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@@H]1C=C(O)C(CCCO)=C[C@@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085596071 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)C1(C#CO[C@@H](C[C@@H]3C=C(O)C=C[C@@H]3CCCCc3ccccc3)CC(=O)CC2)CCCC1 ZINC000085596073 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@@H]1C=C(O)C=C[C@H]1CCCCc1ccccc1)CC(=O)CC2 ZINC000085596074 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](CCCCCCCc1cccc(NC[C@H](C)O)c1)CC(=O)CC2 ZINC000085596077 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)c1 ZINC000085596079 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#CO[C@@H](CCCCCCCc2cccc(NC[C@H](C)O)c2)CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c1c(O)ccc3c2 ZINC000085596080 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#COC1(CCC(CCCCc3ccccc3)CC1)CC(=O)CC2 ZINC000085596081 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@]1(C=C[C@H](CCCCc3ccccc3)CC1)CC(=O)CC2 ZINC000085596083 KK Annotated Mild in-vitro biogenic CCc1cc(O)c2c3ccc(cc13)COc1cc(ccc1OC)CCC(=O)C[C@H](CCCCCCCc1ccccc1)OC#CC2 ZINC000085596084 KK Annotated Mild in-vitro biogenic CCNc1cccc(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)c1 ZINC000085596085 KK Annotated Mild in-vitro biogenic CCCCCc1ccccc1CCCC[C@@H]1C=CC(O)=C[C@H]1C[C@H]1CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(c(O)ccc3c2)CC#CO1 ZINC000085596087 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](CCCCCCCc1cccc(O)c1)CC(=O)CC2 ZINC000085596089 KK Annotated Mild in-vitro biogenic CCCCCc1c(CCCCCCC[C@H]2CC(=O)CCc3ccc(OC)c(c3)OCc3ccc4c(c(O)ccc4c3)CC#CO2)cccc1NC(=N)NC ZINC000085596090 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1cc3ccc(O)c(c3cc1CO)CC#CO[C@@H](CCCCCCCc1ccccc1)CC(=O)CC2 ZINC000085596092 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](C[C@H](CCO)CCCCCc1ccccc1)CC(=O)CC2 ZINC000085596094 KK Annotated Mild in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](CC1(CCCCCc3ccccc3)CCCC1)CC(=O)CC2 ZINC000085596095 KK Annotated Mild in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@H]2C=C(O)C=C[C@H]2CCCCc2cccc(NC[C@H](C)O)c2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596097 KK Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=CC(O)=C[C@H]2C[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)c1 ZINC000085596100 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)[C@H](Cc1ccccc1)C#CO[C@@H](CCCCCCCc1ccccc1)CC(=O)CC2 ZINC000085596102 KK Annotated Mild in-vitro biogenic CCc1cc(O)cc2ccc(COc3cc(CCC(=O)C[C@@H](O)C[C@@H]4C=C(O)C=C[C@H]4CCCCc4ccccc4)ccc3OC)cc12 ZINC000085596105 KK Annotated Anodyne in-vitro biogenic CCNc1cccc(CCCC[C@@H]2C=CC(O)=C[C@@H]2C[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)c1 ZINC000085596108 KK Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cccc(CCCCC2CCC(O)(CC(=O)CCc3ccc(OC)c(OCc4ccc5cc(O)ccc5c4)c3)CC2)c1 ZINC000085596110 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@@H]2C=C(O)C=C[C@H]2CCCCc2cccc(O)c2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596112 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1OCc1ccc3c(c(O)ccc3c1)CC#CO[C@@H](CCCCCCCc1ccccc1)CC(=O)CC2 ZINC000085596116 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@H]2C=C[C@@](O)(CC(=O)CCc3ccc(OC)c(OCc4ccc5cc(O)ccc5c4)c3)CC2)c1 ZINC000085596117 KK Annotated Anodyne in-vitro biogenic CCc1cc(O)cc2ccc(COc3cc(CCC(=O)C[C@@H](O)CCCCCCCc4cccc(NC(=N)NC)c4)ccc3OC)cc12 ZINC000085596119 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@@H]2C=C(O)C=C[C@H]2CCCCc2ccccc2)cc1OCc1cc2ccc(O)cc2cc1CO ZINC000085596121 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@]2(CCO)C=C(O)C=C[C@@H]2CCCCc2ccccc2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596124 KK Annotated Anodyne in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3cc4ccc(O)cc4cc3CO)c2)c1 ZINC000085596127 KK Annotated Mild in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCC2(C[C@H](O)CC(=O)CCc3ccc(OC)c(OCc4ccc5cc(O)ccc5c4)c3)CCCC2)c1 ZINC000085596129 KK Annotated Mild in-vitro biogenic CCCCCc1ccccc1CCCCCCC[C@H]1CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(c(O)ccc3c2)CC#CO1 ZINC000085596130 KK Annotated Mild in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@H]2C=C(O)C(CCCO)=C[C@@H]2CCCCc2ccccc2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596132 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@H]2C=C(O)C=C[C@@H]2CCCCc2ccccc2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596135 KK Annotated Anodyne in-vitro biogenic CCCNCC1=C[C@@H](CCCCc2ccccc2)[C@@H](C[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)C=C1O ZINC000085596138 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2cccc(NC[C@H](C)O)c2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596144 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)CC2(O)CCC(CCCCc3ccccc3)CC2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596146 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@]2(O)C=C[C@H](CCCCc3ccccc3)CC2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596147 KK Annotated Anodyne in-vitro biogenic CCc1cc(O)cc2ccc(COc3cc(CCC(=O)C[C@@H](O)CCCCCCCc4ccccc4)ccc3OC)cc12 ZINC000085596150 KK Annotated Anodyne in-vitro biogenic CCCCCc1ccccc1CCCC[C@@H]1C=CC(O)=C[C@H]1C[C@H](O)CC(=O)CCc1ccc(OC)c(OCc2ccc3cc(O)ccc3c2)c1 ZINC000085596152 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2cccc(O)c2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596156 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)CC2(O)CCC(CCCCc3cccc(NC[C@H](C)O)c3)CC2)cc1OC ZINC000085596159 KK Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cccc(CCCCC2CCC(O)(CC(=O)CCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000085596160 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@]2(O)C=C[C@H](CCCCc3cccc(NC[C@H](C)O)c3)CC2)cc1OC ZINC000085596162 KK Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cccc(CCCC[C@@H]2C=C[C@@](O)(CC(=O)CCc3ccc(OC)c(OC)c3)CC2)c1 ZINC000085596164 KK Annotated Anodyne in-vitro biogenic CCCCCc1c(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)cccc1NC(=N)NC ZINC000085596166 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2ccccc2)cc1OCc1cc2ccc(O)cc2cc1CO ZINC000085596169 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CC2(CCCCCc3ccccc3)CCCC2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596172 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)C[C@H](CCO)CCCCCc2ccccc2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596175 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CC2(CCCCCc3cccc(NC[C@H](C)O)c3)CCCC2)cc1OC ZINC000085596177 KK Annotated Anodyne in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCC2(C[C@H](O)CC(=O)CCc3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000085596181 KK Annotated Mild in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2cccc(N[C@H](Cc3ccccc3)[C@H](C)O)c2)cc1OC ZINC000085596182 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2cccc3c2CC[C@H]([C@H](C)O)N3)cc1OC ZINC000085596184 KK Annotated Anodyne in-vitro biogenic C/N=C(\N)Nc1cccc(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OC3CCCCC3)c2)c1 ZINC000085596195 KK Annotated Mild in-vitro biogenic CCCCCC[C@H]1CC(=O)CCc2ccc(OC)c(c2)OCc2ccc3c(c(O)ccc3c2)CC#CO1 ZINC000085596204 KK Annotated Mild in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCCCc2cccc(NC[C@H](C)O)c2)cc1OCCCC(C)C ZINC000085596223 KK Annotated Anodyne in-vitro biogenic CNC(=N)Nc1cccc(CCCCCCC[C@H](O)CC(=O)CCc2ccc(OC)c(OCCCC(C)C)c2)c1 ZINC000085596225 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1C=CC(O)=C[C@@H]1C[C@H](O)CC(=O)CCc1ccc(OC)c(OCc2ccc3cc(O)ccc3c2)c1 ZINC000085596227 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCC[C@H](C)CCO)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596245 KK Annotated Anodyne in-vitro biogenic CCCCC1(C[C@H](O)CC(=O)CCc2ccc(OC)c(OCc3ccc4cc(O)ccc4c3)c2)CCCC1 ZINC000085596249 KK Annotated Anodyne in-vitro biogenic COc1ccc(CCC(=O)C[C@@H](O)CCCCCC2CCCCC2)cc1OCc1ccc2cc(O)ccc2c1 ZINC000085596256 KK Annotated Anodyne in-vitro biogenic CCOCCCNCC[C@H]1CC[C@@H]([C@H](O)CCc2ccccc2)[C@@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596270 KK Annotated Clean in-vitro biogenic CNCC[C@H]1CC[C@@H]([C@H](O)CC2(c3ccccc3)CCCC2)[C@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596272 KK Annotated Clean in-vitro biogenic CNCC[C@@H]1CC[C@@H]([C@H](O)CC2(c3ccccc3)CCCCC2)[C@H](c2cc([C@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596274 KK Annotated Clean in-vitro biogenic CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(C)c(O)c(Cl)c1 ZINC000085596276 KK Annotated Mild CNCC[C@@H]1CC[C@H]([C@H](O)CCC2(O)CCCC2)[C@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596277 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@@H]5C[C@@H](C)CC[C@H]5[C@H](O)CC5(c6ccccc6)CCCCC5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596279 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@H](c4ccc(O)c([C@@H]5C[C@H](C)CC[C@@H]5[C@H](O)CCC5(O)CCCC5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596281 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@H](c4ccc(O)c([C@H]5C[C@H](C6CCCC6)CC[C@H]5[C@H](O)CCC5(O)CCCC5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596284 KK Annotated Clean in-vitro biogenic CNCC[C@@H]1CC[C@@H]([C@H](O)CCc2ccccc2)[C@@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596285 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5C[C@@H](C)CC[C@H]5[C@H](O)CCc5ccccc5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596289 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@@H]5C[C@H](C6CCCC6)CC[C@H]5[C@H](O)CCc5ccccc5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596291 KK Annotated Clean in-vitro biogenic CCOCCCN[C@H]1C=C[C@@H]2[C@H](CC=C[C@H]2c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596292 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5C=CC[C@H]6C[C@H]7NCCCC7=C[C@H]65)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596293 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@H](c4ccc(O)c([C@@H]5C=CC[C@H]6C[C@@H]7NCC=CC7=C[C@H]65)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596294 KK Annotated Clean in-vitro biogenic CN[C@@H]1C=C[C@@H]2[C@@H](CC=C[C@H]2c2cc([C@@H]3CC[C@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596297 KK Annotated Clean in-vitro biogenic CNCC[C@@H]1CC[C@H]([C@H](O)CCCO)[C@H](c2cc([C@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596299 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@H]5C[C@H](C)CC[C@@H]5[C@H](O)CCCO)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596300 KK Annotated Clean in-vitro biogenic CCOCCCN[C@@H]1C=C[C@@H]2[C@@H](CC=C[C@@H]2c2cc([C@@H]3CC[C@H]4[C@@H](O)C[C@@H](c5cc(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596307 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@H]5C[C@H](C)CC=C5CO)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596309 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@@H]5C[C@@H](C)CC[C@@H]5CO)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596310 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@H](c4ccc(O)c([C@@H]5C[C@H](C6CCCC6)CC=C5CO)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596312 KK Annotated Clean in-vitro biogenic CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(O)cc1 ZINC000085596313 KK Annotated Bother COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@H](c4ccc(O)c([C@H]5C=CC[C@@H]6C[C@H](NC7CCCCC7)C=C[C@@H]56)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596314 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@H]5C=CC[C@H]6C[C@H]7NCCCC7=C[C@H]65)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596317 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@H]5C[C@@H](C6CCCC6)CC[C@@H]5CO)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596319 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@@H]5C=CC[C@@H]6C[C@@H]7NCC=CC7=C[C@H]65)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596321 KK Annotated Clean in-vitro biogenic CN[C@H]1C=C[C@@H]2[C@@H](CC=C[C@H]2c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5cc(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596323 KK Annotated Clean in-vitro biogenic CN[C@H]1CC[C@H]2[C@H](CC=C[C@@H]2c2cc([C@@H]3CC[C@H]4[C@@H](O)C[C@@H](c5cc(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596324 KK Annotated Clean in-vitro biogenic CNCC[C@@H]1CC=C[C@@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596326 KK Annotated Clean in-vitro biogenic CNCC[C@H]1CCC[C@H](c2cc([C@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5c(CO)c(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596328 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@@H]5C=CC[C@@H](C)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596329 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5CCC[C@@H](C)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596330 KK Annotated Clean in-vitro biogenic CC(C)CCCCCCCCc1c(O)cc(CCCC(C)C)cc1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(O)c(Cl)c1 ZINC000085596331 KK Annotated Bother CCOCCCNCC[C@@H]1CC=C[C@@H](c2cc([C@@H]3CC[C@H]4[C@@H](O)C[C@@H](c5cc(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596332 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5C=CC[C@@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596335 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@H]5CCC[C@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596338 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@H]5C=CC[C@H]6C[C@H](NC7CCCCC7)C=C[C@H]65)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596340 KK Annotated Clean in-vitro biogenic CNCC[C@@H]1CC=C[C@H](c2cc([C@@H]3CC[C@H]4[C@@H](O)C[C@@H](c5cc(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596342 KK Annotated Clean in-vitro biogenic CNCC[C@@H]1CCC[C@H](c2cc([C@@H]3CC[C@@H]4[C@@H](O)C[C@@H](c5cc(O)c(O)c(OC)c5Cc5cnc[cH-]5)O[C@H]4C3)ccc2O)C1 ZINC000085596343 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@H]5C=CC[C@@H](C)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596348 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c([C@@H]5CCC[C@H](C)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596349 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@@H]5C=CC[C@@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596351 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@H]5CCC[C@H](C6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596353 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@@H](c4ccc(O)c(CCC(C)C)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596355 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)c(CO)c([C@@H]2C[C@H](O)[C@H]3CC[C@H](c4ccc(O)c([C@H](CCCO)CC(C)C)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596356 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@H]5C=CC[C@@H](CCNC6CCCCC6)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596359 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c([C@H]5C=CC[C@H](CCNC6CCCC6)C5)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596362 KK Annotated Clean in-vitro biogenic CCCCCc1cc([C@@H]2CC[C@@H]3[C@@H](O)C[C@@H](c4c(CO)c(O)c(O)c(OC)c4Cc4cnc[cH-]4)O[C@H]3C2)ccc1O ZINC000085596364 KK Annotated Clean in-vitro biogenic CNCC[C@H](C)CCc1cc([C@@H]2CC[C@@H]3[C@@H](O)C[C@@H](c4cc(O)c(O)c(OC)c4Cc4cnc[cH-]4)O[C@H]3C2)ccc1O ZINC000085596366 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@@H](c4ccc(O)c(CCC(C)C)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596370 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc([C@@H]2C[C@H](O)[C@@H]3CC[C@H](c4ccc(O)c([C@H](CCCO)CC(C)C)c4)C[C@@H]3O2)c1Cc1cnc[cH-]1 ZINC000085596371 KK Annotated Clean in-vitro biogenic CCCCCc1cc([C@@H]2CC[C@@H]3[C@H](C2)O[C@@H]2c4c(c(OC)c(O)c(O)c4CO)C=C[C@H]2[C@@H]3O)ccc1O ZINC000085596376 KK Annotated Clean in-vitro biogenic CCCCCc1cc([C@@H]2CC[C@@H]3[C@@H](O)C[C@@H](c4cc(O)c(O)c(OC)c4Cc4cnc[cH-]4)O[C@H]3C2)ccc1O ZINC000085596377 KK Annotated Clean in-vitro biogenic C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2cn(C(C)(C)C=C)c3ccccc23)=C(OC)C1=O ZINC000085596382 KK Annotated Mild C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(OC)C(=O)C(c2c(C(C)(C)C=C)[nH]c3c(CC=C(C)C)cccc23)=C(OC)C1=O ZINC000085596383 KK Annotated Mild COc1c(O)c(O)cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)c(CCC(C)C)c3)O2)c1Cc1cnc[cH-]1 ZINC000085596397 KK Annotated Clean in-vitro biogenic CCCCCc1cc(CC[C@H]2C[C@@H](O)C[C@@H](c3cc(O)c(O)c(OC)c3Cc3cnc[cH-]3)O2)ccc1O ZINC000085596404 KK Annotated Clean in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H]([C@]23CC4(CCCC4)C[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 ZINC000085596422 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]23CC4(CCCC4)C[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 ZINC000085596424 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H]([C@]1([n+]3cc[nH]c3)CCC3(CCCC3)C1)c1cc2cnc1N ZINC000085596427 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@@]2([n+]3cc[nH]c3)CCC3(CCCC3)C2)SSC1 ZINC000085596428 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H]([C@@]23CCC[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 ZINC000085596430 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H]([C@]2([n+]3cc[nH]c3)CCC3(CCCC3)C2)SSC1 ZINC000085596432 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H]([C@@]13CCC[C@@H]1C=Cc1c[nH]c[n+]13)c1cc2cnc1N ZINC000085596434 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H]([C@@]23CCC[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 ZINC000085596435 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](C1([n+]3cc[nH]c3)CCCCC1)c1cc2cnc1N ZINC000085596436 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2([n+]3cc[nH]c3)CCCCC2)SSC1 ZINC000085596437 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](C2([n+]3cc[nH]c3)CCCCC2)SSC1 ZINC000085596438 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](C[n+]2cc[nH]c2)(SSC1)[C@@H](CCc1ccccc1)CN3 ZINC000085596439 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](C1([n+]3cc[nH]c3)CCCC1)c1cc2cnc1N ZINC000085596440 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2([n+]3cc[nH]c3)CCCC2)SSC1 ZINC000085596442 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](C2([n+]3cc[nH]c3)CCCC2)SSC1 ZINC000085596445 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(c3ccccc3)CCCCC2)SSC1 ZINC000085596448 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(c3ccccc3)CCCC2)SSC1 ZINC000085596449 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C[n+]2cc[nH]c2)SSC1 ZINC000085596450 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](C[n+]1cc[nH]c1)c1cc2cnc1N ZINC000085596451 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](Cc2ccccc2)(CCN3)SSC1 ZINC000085596452 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](C[n+]2cc[nH]c2)SSC1 ZINC000085596453 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](C[n+]2cc[nH]c2)(SSC1)[C@H](Cc1ccccc1)CN3 ZINC000085596454 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](Cc2ccccc2)SSC1 ZINC000085596455 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](Cc1ccccc1)c1cc2cnc1N ZINC000085596456 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](Cc2ccccc2)SSC1 ZINC000085596458 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](c2cccc(O)c2)(CCN3)SSC1 ZINC000085596460 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](c2cccc(O)c2)SSC1 ZINC000085596462 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCCC2)SSC1 ZINC000085596464 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@H](CCN3)SSC1 ZINC000085596466 KK Annotated Reactive in-vitro biogenic CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCC2)SSC1 ZINC000085596467 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C\[C@H]1SSCc1cc2cnc1N ZINC000085596469 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SSCc1cc2cnc1N ZINC000085596471 KK Annotated Reactive in-vitro biogenic CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)CSSC1 ZINC000085596474 KK Annotated Reactive in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085596481 KK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085596484 KK Annotated Mild in-vitro biogenic CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)c([N+]2=CC3=NC=C(Cc4cc(C)cc(C)c4)C3=C2)c1 ZINC000085596487 KK Annotated Mild in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)[C@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@H](C)CC5(CCCC5)[C@]45[C@H](c4ccnc(N)c4)C=C[C@H]5C(=O)O)c3)O2)ccc1O ZINC000085596515 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)[C@@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@H](C)C[C@@]56CCC[C@@H]5C5(CCCC5)C[C@H](c5ccnc(N)c5)[C@@]46CC(=O)O)c3)O2)ccc1O ZINC000085596516 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OCO)c3)C[C@H](O)[C@@H]2CCO)cc(OC[C@@H]2N[C@@H](C)C[C@]34CCC[C@H]3CC[C@@H](c3ccnc(N)c3)[C@]24CC(=O)O)c1O ZINC000085596517 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)[C@@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@@H]4N[C@@H](C)C[C@]56CCC[C@H]5CC[C@@H](c5ccnc(N)c5)[C@]46CC(=O)O)c3)O2)ccc1O ZINC000085596519 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)[C@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@@H]4N[C@@H](C)CC5(CCCC5)[C@@]4(CC(=O)O)Cc4ccnc(N)c4)c3)O2)ccc1O ZINC000085596533 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCO)c3)O2)cc(OC[C@@H]2N[C@H](C)CC3(CCCC3)[C@]23[C@H](C(=O)O)C=C[C@@H]3c2ccnc(N)c2)c1O ZINC000085596536 KK Annotated Anodyne in-vitro biogenic COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OCNC[C@H](C)O)c3)O2)cc(OC[C@H]2N[C@@H](C)CC3(CCCC3)[C@]23[C@@H](C(=O)O)C=C[C@H]3c2ccnc(N)c2)c1O ZINC000085596539 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@@H](C)CC5(CCCC5)[C@]45[C@H](C(=O)O)C=C[C@@H]5c4ccnc(N)c4)c3)O2)ccc1O ZINC000085596543 KK Annotated Anodyne in-vitro biogenic CCCCC/C=C/C=C/C(=O)O[C@@H]1[C@@H](O)C[C@@H](c2ccc3c(c2O)C(=O)c2cc4c(O)cc(C)cc4c(O)c2C3=O)O[C@H]1C ZINC000085596545 KK Annotated Clean COc1cc(CC[C@H]2C[C@H](O)[C@H](CCO)[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@@H](C)CC[C@]4(Cc4ccnc(N)c4)C4(C(=O)O)CCCCC4)c3)O2)ccc1O ZINC000085596549 KK Annotated Anodyne in-vitro biogenic CCCCC/C=C/C=C/C(=O)O[C@@H]1[C@@H](O)C[C@@H](c2ccc3c(c2O)C(=O)c2ccc4cc(C)cc(O)c4c2C3=O)O[C@H]1C ZINC000085596554 KK Annotated Clean COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@@H](C)CC5(CCCC5)[C@@]4(CC(=O)O)Cc4ccnc(N)c4)c3)O2)ccc1O ZINC000085596571 KK Annotated Anodyne in-vitro biogenic CCN[C@H](COc1cc([C@H]2O[C@@H](CCc3ccc(O)c(OC)c3)C[C@H](O)[C@@H]2CCO)cc(OC)c1O)[C@H](Cc1ccnc(N)c1)C1(C(=O)O)CCCCC1 ZINC000085596575 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(OC[C@H]4N[C@@H](C)CC[C@]4(Cc4ccnc(N)c4)C4(C(=O)O)CCCCC4)c3)O2)ccc1O ZINC000085596577 KK Annotated Anodyne in-vitro biogenic CCN[C@H](COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O)[C@H](Cc1ccnc(N)c1)C1(C(=O)O)CCCCC1 ZINC000085596599 KK Annotated Anodyne in-vitro biogenic CCN[C@H](COc1cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)c(OC)c3)O2)cc(OC)c1O)CC1(C(=O)O)CCCCC1 ZINC000085596625 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596632 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596633 KK Annotated Anodyne CCC[C@@H]1OC(=O)/C(C)=C/[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\C)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596679 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\C)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596682 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCCCCC[C@@H](C)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596685 KK Annotated Anodyne COc1cc(CC[C@H]2C[C@H](O)C[C@@H](c3cc(OC)c(O)c(O[C@H]4CC[C@H](CC(C)C)C4)c3)O2)ccc1O ZINC000085596686 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCCCCC[C@@H](C)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596689 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H](C[C@H](C)O)CC#C[C@@H]2C[C@@H]3c4c(ccc(O)c4OC[C@H]3C3(CO)CCCC3)[C@@H]2C2(CCNCC2)[C@H](OC(=O)[C@@]23CCCC[C@@H]2CC2(CCCC2)C(=O)N3)C1 ZINC000085596690 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1C[C@H](C[C@H](C)O)CC#C[C@@H]2C[C@@H]3c4c(ccc(O)c4OC[C@H]3C3(CO)CCCC3)[C@@H]2C2(CCNCC2)[C@H](OC(=O)[C@@]23CCCC[C@@H]2CCC(=O)N3)C1 ZINC000085596692 KK Annotated Mild in-vitro biogenic CN[C@H]1CSSC[C@@](C)(O)CC[C@@H]([C@H](C[C@@H](OC(=O)[C@]23CCCC[C@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4CCOc5c(O)ccc3c54)CCNCC2)OC(C)=O)CC[C@H]1O ZINC000085596695 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@H]3c4c2ccc(O)c4OC[C@@H]3C2(CO)CCCC2)CCNCC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596696 KK Annotated Anodyne in-vitro biogenic CN[C@@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@@H](OC(=O)[C@@]34CCCC[C@@H]3CCC(=O)N4)C3(Cc4ccc(O)c5c4CCCO5)CCNCC3)OC(C)=O)CC[C@](C)(O)CSS2)[C@H]1O ZINC000085596698 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](C2(CO)CCCC2)CO3)CCNCC1)[C@H](CC[C@H](C)O)CC[C@H](O)CCCO ZINC000085596699 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c3c2C[C@@H](C2(CO)CCCC2)CO3)CCNCC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596700 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CC1(CCCC1)C(=O)N2)C1([C@@H]2CC[C@H]3c4c2ccc(O)c4OC[C@H]3C2(CO)CCCC2)CCNCC1 ZINC000085596702 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](C2(CO)CCCC2)CO3)CCNCC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596703 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@H]3c4c2ccc(O)c4OC[C@@H]3C2(CO)CCCC2)CCNCC1 ZINC000085596704 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](C2(CO)CCCC2)CO3)CCNCC1 ZINC000085596707 KK Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H]3CC[C@@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC3)OC(=O)[C@@]34CCCC[C@@H]3CCC(=O)N4)CCNCC2)ccc1O ZINC000085596708 KK Annotated Reactive in-vitro biogenic CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCCCC(=O)CCC[C@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596710 KK Annotated Anodyne CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCCCC(=O)CCC[C@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@H](O)CNC1=O ZINC000085596712 KK Annotated Anodyne CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596723 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)[C@@H](CCCO)CC[C@H](C)O ZINC000085596727 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1 ZINC000085596734 KK Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CCCO)CC[C@H](C)O)OC(=O)[C@@]34CCCC[C@@H]3CC3(CCCC3)C(=O)N4)CCNCC2)ccc1O ZINC000085596738 KK Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CC[C@H](C)O)CC[C@H](O)CNCCc3ccccc3)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)ccc1O ZINC000085596741 KK Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CC[C@H](C)O)CC[C@H](O)CNC3CCCCC3)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)ccc1O ZINC000085596744 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCC[C@H](C)O)C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1 ZINC000085596747 KK Annotated Anodyne in-vitro biogenic COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H](CC[C@H](C)O)CC[C@H](O)CNCCCC(C)C)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)ccc1O ZINC000085596751 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1Cl)NC(=O)C[C@H](OC(=O)C(C)C)/C(C)=C/[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 ZINC000085596758 KK Annotated Anodyne in-vitro COc1cc(CC2([C@@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(=O)[C@]34CCCC[C@@H]3CC3(CCCC3)C(=O)N4)CCNCC2)ccc1O ZINC000085596760 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)OC(C)=O ZINC000085596761 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](CC[C@H](O)CCCO)[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596769 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596771 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)OC(C)=O ZINC000085596778 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@H]1CC1(CCCC1)C(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596782 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596791 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)C1CCCCC1)[C@]1(Cc2ccc(O)c(OC)c2)CCN[C@H](O)C1)OC(C)=O ZINC000085596806 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)C1(CCOC)CCCCC1)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596809 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](OC(C)=O)C1([C@@H](OC(=O)C2CCCCC2)C2(Cc3ccc(O)c(OC)c3)CCNCC2)CCCC1 ZINC000085596818 KK Annotated Anodyne in-vitro biogenic CCCC[C@H](CCCO)[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596819 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)OC(C)=O ZINC000085596830 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596835 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)C1CCCCC1)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596837 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(=O)CNC)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596840 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](OC(C)=O)C1([C@@H](OC(C)=O)C2(Cc3ccc(O)c(OC)c3)CCNCC2)CCCC1 ZINC000085596846 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](CCC)C[C@H](C[C@@H](OC(C)=O)C1(Cc2ccc(O)c(OC)c2)CCNCC1)OC(C)=O ZINC000085596865 KK Annotated Anodyne in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OCCCO)C1 ZINC000085596898 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSS[C@@H]2C=C[C@@H]4CC[C@H]2[C@@]4(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC)C1 ZINC000085596899 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC)C1 ZINC000085596900 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)/N=C(/NC)NC#CC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)C3)CC[C@H](C[C@H](O)OC)C1 ZINC000085596901 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC2CCCCC2)C1 ZINC000085596902 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)/N=C(/NC)NC#CC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)C3)CC[C@H](CCOCNC[C@H](C)O)C1 ZINC000085596903 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C1 ZINC000085596908 KK Annotated Reactive in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)C3)CC[C@H](C[C@H](O)OC)C1 ZINC000085596911 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OCCCO)C1 ZINC000085596912 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)/N=C(/NC)NC#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](C[C@H](O)OC2CCCCC2)C1 ZINC000085596915 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OC)C1 ZINC000085596917 KK Annotated Reactive in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OC2CCCCC2)C1 ZINC000085596918 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)/N=C(/NC)NC#CC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)C3)CC[C@H](CCOC)C1 ZINC000085596921 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](CCOCNC[C@H](C)O)C1 ZINC000085596922 KK Annotated Reactive in-vitro biogenic C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOCNC(=N)NC)C3)c2)N1 ZINC000085596924 KK Annotated Reactive in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)/N=C(/NC)NC#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](CCOCCCO)C1 ZINC000085596925 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2O)C1 ZINC000085596928 KK Annotated Reactive in-vitro biogenic C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 ZINC000085596929 KK Annotated Reactive in-vitro biogenic CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](CCOCCCO)C1 ZINC000085596931 KK Annotated Reactive in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)/N=C(\NC)NC#CC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC2CCCC2)C1 ZINC000085596932 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc(C3(C/C=C/C(=O)C4(Cc5ccc(O)c(OC)c5)CCCC4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](C[C@H](O)OC)C1 ZINC000085596935 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)C1(c2cc(NC(=N)NC)c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2)CCCC1 ZINC000085596937 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC)C1 ZINC000085596939 KK Annotated Reactive in-vitro biogenic C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC4CCCC4)C3)c2)N1 ZINC000085596941 KK Annotated Reactive in-vitro biogenic C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC4CCCCC4)C3)c2)N1 ZINC000085596942 KK Annotated Reactive in-vitro biogenic CNC[C@]12C[C@H](CC#COc3c(NC(=N)NC)cc(C4(C/C=C/C(=O)CCc5ccc(O)c(OC)c5)CCCC4)cc3O1)[C@H](C[C@H](O)OC)C2 ZINC000085596944 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C3(C/C=C/C(=O)CCc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](C[C@H](O)OC)C1 ZINC000085596950 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C3(C/C=C/C(=O)CCc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](C[C@H](O)OC2CCCCC2)C1 ZINC000085596952 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](C[C@H](O)OC)C1 ZINC000085596955 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(O[C@]2(CNC)CC[C@H](C[C@H](O)OC)C2)c1 ZINC000085596958 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc(C3(C/C=C/C(=O)CCc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@@H](CCOCNC[C@H](C)O)C1 ZINC000085596962 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@@H](CCOCNC[C@H](C)O)C1 ZINC000085596963 KK Annotated Mild in-vitro biogenic CC[C@@]1([C@@H]2O[C@@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@@H](OC)[C@H](C)C(=O)O)O3)O2)O1 ZINC000085596965 KK Annotated Anodyne CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(O[C@]2(CNC)CC[C@H](CCOCNC[C@H](C)O)C2)c1 ZINC000085596969 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@H](CCOCNC[C@H](O)Cc2ccc3cc(O)ccc3c2)C1 ZINC000085596974 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)C1(Cc2ccc(O)c(OC)c2)CCCC1)Cc1cc(NC(=N)NC)c(O)c(O[C@]2(CNC)CC[C@@H](CCOC)C2)c1 ZINC000085596981 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C[C@H](/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)C(C)C)cc(NC(=N)NC)c2O)CC[C@H](CCOC)C1 ZINC000085596982 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@@H](CCOC2(NC[C@H](C)O)CCCCC2)C1 ZINC000085596984 KK Annotated Mild in-vitro biogenic CC(C)=C[C@H]1O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5(C)c6[nH]c7ccc8c(c7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C[C@H]2[C@@H](C8=O)C(C)(C)OC2(C)C)C(C)(C)O1 ZINC000085596989 KK Annotated Anodyne CC(C)=C[C@H]1O[C@@H]2[C@H](O[C@H]3CC[C@]4(C)[C@@]5(C)c6[nH]c7ccc8c(c7c6C[C@@H]5CC[C@@]4(O)[C@]34O[C@H]24)C[C@@H]2[C@H](C8=O)C(C)(C)OC2(C)C)C(C)(C)O1 ZINC000085596990 KK Annotated Anodyne CNC[C@@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@H](C[C@H](O)OC2CCCCC2)C1 ZINC000085596991 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@@H](CCOCCCO)C1 ZINC000085596993 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](CCOC)C1 ZINC000085596997 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](CCOC2CCCC2)C1 ZINC000085596998 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C3(C/C=C/C(=O)CCc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@H](CCC(=O)O)C1 ZINC000085597001 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CC[C@@H](CCOC2CCCCC2)C1 ZINC000085597003 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(O[C@]2(CNC)CC[C@H](CCOC)C2)c1 ZINC000085597005 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C[C@H](/C=C/C(=O)CCc3ccc(O)c(OC)c3)C(C)C)cc(NC(=N)NC)c2O)CC[C@H](CCOC)C1 ZINC000085597007 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@H](CCOCNC[C@H](O)CCCc2ccccc2)C1 ZINC000085597010 KK Annotated Mild in-vitro biogenic CNCC1(Oc2cc(C[C@H](/C=C/C(=O)CCc3ccc(O)c(OC)c3)[C@H](C)CCCC(C)C)cc(NC(=N)NC)c2O)CCCC1 ZINC000085597012 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(O[C@]2(CNC)CC[C@H](CCC(=O)O)C2)c1 ZINC000085597016 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(C[C@H](/C=C/C(=O)CCc3ccc(O)c(OC)c3)C(C)C)cc(NC(=N)NC)c2O)CC[C@@H](CCC(=O)O)C1 ZINC000085597019 KK Annotated Mild in-vitro biogenic CNC[C@@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@@H](CCOC2CCCCC2)C1 ZINC000085597030 KK Annotated Mild in-vitro biogenic CNC[C@]1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC)c2O)CC[C@@H](CC2(C(=O)O)CCCCC2)C1 ZINC000085597033 KK Annotated Mild in-vitro biogenic CNCCOc1cc(C[C@H](/C=C/C(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(NC(=N)NC)c1O ZINC000085597036 KK Annotated Mild in-vitro biogenic CNCCOc1cc(C[C@H](/C=C/C(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCC[C@H](C)CCNC)cc(NC(=N)NC)c1O ZINC000085597039 KK Annotated Mild in-vitro biogenic CNCC1(Oc2cc(CC/C=C/C(=O)C3(Cc4ccc(O)c(OC)c4)CCCC3)cc(NC(=N)NC)c2O)CCCC1 ZINC000085597041 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(OC2(CNC)CCCC2)c1 ZINC000085597043 KK Annotated Mild in-vitro biogenic CNCC1(Oc2cc(C[C@H](/C=C/C(=O)CCc3ccc(O)c(OC)c3)C(C)C)cc(NC(=N)NC)c2O)CCCC1 ZINC000085597046 KK Annotated Mild in-vitro biogenic CNCCOc1cc(C[C@H](/C=C/C(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(NC(=N)NC2CCCCC2)c1O ZINC000085597049 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cc(C[C@H](/C=C/C(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(OCO)c1O ZINC000085597051 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cc(C[C@H](/C=C/C(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)[C@H](C)CCCC(C)C)cc(OC)c1O ZINC000085597052 KK Annotated Mild in-vitro biogenic C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC)C(=C)CC[C@H]21 ZINC000085597053 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(CCC[C@@]2(C)CO)[C@H]1CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CO[C@@H](C(=O)OC)[C@H](CC(=O)O)C(=O)OC)C(=C)CC[C@H]21 ZINC000085597054 KK Annotated Mild CC[C@@H](CC=O)CC[C@H](/C=C/C(=O)C1(Cc2ccc(O)c(OC)c2)CCCC1)Cc1cc(NC(=N)NC)c(O)c(OC)c1 ZINC000085597056 KK Annotated Mild in-vitro biogenic CCC[C@H](C)CCC[C@H](C)[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(OCCNC)c1 ZINC000085597061 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cc(C[C@H](/C=C/C(=O)CCc2ccc(O)c(OC)c2)[C@H](C)CCCC(C)C)cc(OC)c1O ZINC000085597065 KK Annotated Mild in-vitro biogenic CNCC1(Oc2cc(CC/C=C/C(=O)CCc3ccc(O)c(OC)c3)cc(NC(=N)NC3CCCCC3)c2O)CCCC1 ZINC000085597069 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)/C=C/[C@H](Cc2cc(NC(=N)NC3CCCCC3)c(O)c(OC)c2)[C@H](C)CCCC(C)C)ccc1O ZINC000085597072 KK Annotated Mild in-vitro biogenic CC[C@@H](CC=O)CC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC2CCCCC2)c(O)c(OC)c1 ZINC000085597074 KK Annotated Mild in-vitro biogenic CCC[C@H](C)CCC[C@H](C)[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC)c(O)c(OC)c1 ZINC000085597079 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)C1(Cc2ccc(O)c(OC)c2)CCCC1)Cc1cc(NC(=N)NC)c(O)c(OC)c1 ZINC000085597083 KK Annotated Mild in-vitro biogenic CNC(=N)Nc1cc(C[C@H](/C=C/C(=O)C2(Cc3ccc(O)c(OC)c3)CCCC2)C(C)C)cc(OC)c1O ZINC000085597084 KK Annotated Mild in-vitro biogenic CCCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OC)c1)Cc1cc(NC(=N)NC2CCCCC2)c(O)c(OC)c1 ZINC000085597101 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)/C=C/[C@H](Cc2cc(NC(=N)NC3CCCCC3)c(O)c(OC)c2)C(C)C)ccc1O ZINC000085597104 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CC#C[C@H]3[C@H](CCC[C@@]34CCN=C(NCCCc3ccnc(N)c3)N4)Oc3cc(ccc3O)C2)C1 ZINC000085597138 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CC#C[C@H]3[C@@H](NC(=N)NCCCc4ccnc(N)c4)CCC[C@H]3Oc3cc(ccc3O)C2)C1 ZINC000085597140 KK Annotated Mild in-vitro biogenic CNC[C@H]1CN=C(NCCCc2ccnc(N)c2)N[C@]12CCC[C@H](Oc1cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc1O)C2 ZINC000085597144 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@]34C[C@H](CCCCNC(=N)N3)C[C@H](C4)Oc3cc(ccc3O)C[C@H]12 ZINC000085597148 KK Annotated Reactive in-vitro biogenic CNC[C@H]1SS[C@@H]2CC[C@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]3[C@@H]2Cc2ccc(O)c(c2)O[C@@H]2CCC[C@]1(NC(=N)NC)C2 ZINC000085597150 KK Annotated Reactive in-vitro biogenic CNC1=NCC[C@H]2SS[C@@H]3CC[C@H]4[C@@H](OC(C)=O)C[C@@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)O[C@H]4[C@H]3Cc3ccc(O)c(c3)O[C@@H]3CCC[C@]2(C3)N1 ZINC000085597152 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCCCO)CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 ZINC000085597154 KK Annotated Reactive in-vitro biogenic CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]1[C@H](CC[C@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]31)SSC21CCCCC1 ZINC000085597156 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCCO)CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 ZINC000085597159 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCO)CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 ZINC000085597161 KK Annotated Reactive in-vitro biogenic CNC(=N)N[C@]12CCC[C@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@@H](CC[C@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]31)SSC2 ZINC000085597163 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@@H]3CCC[C@@]4(CCN=C(NCCCc5ccnc(N)c5)N4)C3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597165 KK Annotated Clean in-vitro biogenic CNC(=N)N[C@]12CCC[C@H](C1)Oc1cc(ccc1O)C[C@H]1[C@H](C=C[C@@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]31)SSC2 ZINC000085597167 KK Annotated Reactive in-vitro biogenic CNC[C@H]1SSC[C@@H]([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@@H]2CCC[C@]1(NC(=N)NC)C2 ZINC000085597172 KK Annotated Reactive in-vitro biogenic CNC1=NCC[C@@H]2SSC[C@H]([C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)Cc3ccc(O)c(c3)O[C@@H]3CCC[C@@]2(C3)N1 ZINC000085597173 KK Annotated Reactive in-vitro biogenic CNC(=N)N[C@H]1CCC[C@H]2Oc3cc(ccc3O)C[C@H]3[C@@H]4O[C@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)C[C@H](OC(C)=O)[C@@H]4CC[C@H]3C#C[C@@H]12 ZINC000085597175 KK Annotated Mild in-vitro biogenic CNC(=N)N[C@]12CCC[C@H](C1)Oc1cc(ccc1O)C[C@@H]([C@H]1C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC21CCCCC1 ZINC000085597177 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597180 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@H]3CCC[C@H](NC(=N)NCCCc4ccnc(N)c4)C3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597182 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597185 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597192 KK Annotated Reactive in-vitro biogenic CNC(=N)N[C@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@H]1C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC2 ZINC000085597194 KK Annotated Reactive in-vitro biogenic CCCCC[C@@]12Cc3ccc(O)c(c3)O[C@@H]3CCC[C@](NC(=N)NC)(CSS[C@@H]1CC[C@H]1[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]12)C3 ZINC000085597196 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(O[C@H]2CCC[C@H](NC(=N)NCCCc3ccnc(N)c3)C2)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597199 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CC#C[C@H]3[C@@H](NC(=N)NC4CCCCC4)CCC[C@H]3Oc3cc(ccc3O)C2)C1 ZINC000085597203 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@H]3CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 ZINC000085597205 KK Annotated Reactive in-vitro biogenic CCCCC[C@@]1([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@@]2(NC(=N)NC)CCC[C@@H](C2)Oc2cc(ccc2O)C1 ZINC000085597207 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1C=C[C@@H]1SSC[C@H]3CCC[C@H](C3)Oc3cc(ccc3O)C[C@@H]12 ZINC000085597209 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(CO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597210 KK Annotated Reactive in-vitro biogenic CNC[C@@H]1SSC[C@H]([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@H]1C2 ZINC000085597212 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC3(CCCCC3)[C@H]3CCC[C@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597215 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1C#C[C@@H]3CCCC[C@@H]3Oc3cc(ccc3O)C[C@@H]21 ZINC000085597216 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2Cc3ccc(O)c(c3)O[C@H]3CCCC[C@@H]3C#C[C@@H]2CCCO)C1 ZINC000085597217 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@@H]4CCCC[C@H]4C#C[C@H]3C=C[C@H]12 ZINC000085597218 KK Annotated Mild in-vitro biogenic CNC1=NCC[C@]2(CCC[C@@H](Oc3cc(CC[C@H]4C[C@@H](OC(C)=O)C[C@@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)O4)ccc3O)C2)N1 ZINC000085597219 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597221 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CC#C[C@@H]3[C@@H](CO)CCC[C@@H]3Oc3cc(ccc3O)C2)C1 ZINC000085597223 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSS[C@H](CCO)[C@@H]3CCC[C@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597224 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSS[C@@H](CCCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 ZINC000085597226 KK Annotated Reactive in-vitro biogenic CNC(=N)N[C@@H]1CCC[C@H](Oc2cc(CC[C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)ccc2O)C1 ZINC000085597228 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@H]3CCC[C@H](NC(=N)NC4CCCCC4)C3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597231 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CC#C[C@H]3CCCC[C@H]3Oc3cc(ccc3O)C2)C1 ZINC000085597235 KK Annotated Mild in-vitro biogenic CCCCC[C@@]1([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@H]2CCC[C@@H](C2)Oc2cc(ccc2O)C1 ZINC000085597237 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(O[C@H]2CCC[C@H](NC(=N)NC)C2)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597239 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(O[C@H]3CCC[C@H](CO)C3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597241 KK Annotated Clean in-vitro biogenic COc1cc(C[C@@H]2CC#C[C@@H]3CCC[C@@]34CC[C@H](C4)Oc3cc(cc(O)c3O)[C@@H]3C[C@H](OC(C)=O)C[C@H]2O3)ccc1O ZINC000085597244 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597249 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 ZINC000085597251 KK Annotated Clean in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597256 KK Annotated Clean in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(OC2CCCCC2)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O1 ZINC000085597257 KK Annotated Clean in-vitro biogenic COc1cc(C[C@H](CCCCC2CCCC2)[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)ccc1O ZINC000085597261 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(O[C@@H]4CC[C@@]5(CCC6(CCCC6)C5)C4)c3)O2)ccc1O ZINC000085597263 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(O[C@@H]4CCC5(CCCC5)C4)c3)O2)ccc1O ZINC000085597267 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(O[C@H]4CC[C@]5(CC[C@H](Cc6ccccc6)C5)C4)c3)O2)ccc1O ZINC000085597269 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(O[C@@H]3CCC4(CCCC4)C3)c2)C1 ZINC000085597273 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCC(CC=O)CC4)c3)O2)ccc1O ZINC000085597278 KK Annotated Mild in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(O[C@@H]3CCC4(CCCC4)C3)c2)O1 ZINC000085597281 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC4CCCCC4)c3)O2)ccc1O ZINC000085597283 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(OC3CCCCC3)c2)C1 ZINC000085597289 KK Annotated Clean in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OC3CCCCC3)c2)O1 ZINC000085597291 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCCC3)c2)O[C@H](c2cc(O)c(O)c(OC3CCCC3)c2)C1 ZINC000085597294 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@H]1C[C@H](CCc2ccc(O)c(OC3CCCC3)c2)O[C@H](c2cc(O)c(O)c(OC3CCCCC3)c2)C1 ZINC000085597296 KK Annotated Clean in-vitro biogenic CCCCC[C@H](Cc1ccc(O)c(OC)c1)[C@H]1C[C@@H](OC(C)=O)C[C@@H](c2cc(O)c(O)c(OC3CCCC3)c2)O1 ZINC000085597299 KK Annotated Clean in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 ZINC000085597305 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597307 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597308 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597310 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@@H]1C[C@@H]2O)c1ccc(NCC(C)=O)c(CO)c1 ZINC000085597312 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 ZINC000085597314 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 ZINC000085597316 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@@H]1C[C@@H]2O)c1ccc(NC[C@H](C)O)c(CO)c1 ZINC000085597317 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@H](C)O)CCCC2)c(CO)c1 ZINC000085597319 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@H]1C[C@@H](O)CSS2)c1ccc(NC[C@H](C)O)c(CO)c1 ZINC000085597321 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1O)[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597323 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597325 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@H](C)O)c(CO)c1 ZINC000085597327 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597328 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597329 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NCCCCO)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 ZINC000085597330 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 ZINC000085597332 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@H]3CC[C@@H]2C[C@@H]3O)c1 ZINC000085597334 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 ZINC000085597336 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 ZINC000085597337 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597339 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NCC(C)=O)c(CO)c1 ZINC000085597340 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 ZINC000085597341 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC2CCCCC2)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 ZINC000085597343 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 ZINC000085597345 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NC[C@H](C)O)c(CO)c1 ZINC000085597346 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@H](C)O)CCCC2)c(CO)c1 ZINC000085597349 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@H](C)O)c(CO)c1 ZINC000085597351 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597353 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 ZINC000085597355 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NCCCCO)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 ZINC000085597357 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 ZINC000085597359 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSSC3CCC2CC3)c1 ZINC000085597362 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 ZINC000085597364 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 ZINC000085597365 KK Annotated Reactive in-vitro biogenic CNCc1cc(O)cc([C@@H](NC2CCCCC2)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 ZINC000085597368 KK Annotated Reactive in-vitro biogenic CNCc1ccc([C@@H](NC)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)cc1CO ZINC000085597370 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 ZINC000085597373 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(O)c(CO)c1 ZINC000085597374 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 ZINC000085597376 KK Annotated Reactive in-vitro biogenic CN[C@@H](Cc1ccc(O)cc1)O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 ZINC000085597378 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1cccc(CO)c1)CC(=O)CC2 ZINC000085597380 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1cccc(O)c1)CC(=O)CC2 ZINC000085597383 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(CO)c1 ZINC000085597385 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(O)c1 ZINC000085597387 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@H]1CCCSS2)c1cccc(CO)c1 ZINC000085597389 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 ZINC000085597390 KK Annotated Reactive in-vitro biogenic CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 ZINC000085597392 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNCCCCO)CC(=O)CC2 ZINC000085597394 KK Annotated Reactive in-vitro biogenic CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@H]2O ZINC000085597396 KK Annotated Reactive in-vitro biogenic CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@H]1C[C@@H](O)CSS2 ZINC000085597397 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNCCc1cccc(O)c1)CC(=O)CC2 ZINC000085597399 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCC1)c1cccc(CO)c1)CC(=O)CC2 ZINC000085597401 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1cccc(CO)c1)CC(=O)CC2 ZINC000085597403 KK Annotated Reactive in-vitro biogenic CNCO[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 ZINC000085597404 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCC1)c1cccc(O)c1)CC(=O)CC2 ZINC000085597406 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1cccc(O)c1)CC(=O)CC2 ZINC000085597408 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O)CC(=O)CC2 ZINC000085597409 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O)CC(=O)CC2 ZINC000085597410 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNCCc1ccccc1)CC(=O)CC2 ZINC000085597413 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O)CC(=O)CC2 ZINC000085597415 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNC1CCCC1)CC(=O)CC2 ZINC000085597417 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNC1CCCCC1)CC(=O)CC2 ZINC000085597418 KK Annotated Reactive in-vitro biogenic CN[C@@H](Cc1ccc(O)cc1)O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 ZINC000085597420 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1CCCO)[C@@H](O)CC(=O)CC2 ZINC000085597422 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNCCCCO)CC(=O)CC2 ZINC000085597424 KK Annotated Reactive in-vitro biogenic CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2 ZINC000085597426 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@@H]1C[C@H]3C=C[C@@H]1C[C@H]3[C@@H](O)CC(=O)CC2 ZINC000085597428 KK Annotated Reactive in-vitro biogenic CNCO[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 ZINC000085597430 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNCCc1cccc(O)c1)CC(=O)CC2 ZINC000085597434 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC1CCC(CC1)[C@@H](O)CC(=O)CC2 ZINC000085597436 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](CCCSS1)[C@@H](O)CC(=O)CC2 ZINC000085597438 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCC[C@@H]1CCO[C@@H](CC(=O)CC2)C1 ZINC000085597440 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNCCc1ccccc1)CC(=O)CC2 ZINC000085597442 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNC1CCCC1)CC(=O)CC2 ZINC000085597446 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNC1CCCCC1)CC(=O)CC2 ZINC000085597447 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](C)C[C@@H](Cc3ccc(O)cc3)O2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597450 KK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(CCC(=O)C[C@H]2C[C@@H](C)CC3(CCCCC3)O2)c1-c1ccc2ccc(O)cc2c1 ZINC000085597457 KK Annotated Anodyne in-vitro biogenic CCC(=O)[C@@H](C)[C@@H](O)[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O)/C=C/[C@H](C)C[C@H]1C ZINC000085597853 KK Annotated Anodyne CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 ZINC000085597995 KK Annotated Reactive CC1=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)CCCC(C)(C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C(C)(C)CCC1=O ZINC000085598188 KK 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=C/C=C(\C)CCCC(C)(C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1=O ZINC000085598193 KK Annotated Mild C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000085598424 KK Annotated Mild C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000085598425 KK Annotated Mild C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000085598426 KK Annotated Mild C=CCCCCCCCCCCCCCC/C=C/C=C/[C@H](CCCCCC)O[C@@H](/C=C\CCCCCC)[C@H](O)CCCCCCCCCCCCCCCC=C ZINC000085598471 KK Annotated Mild CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H]([N+](C)(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000085598482 KK Annotated Bother CC(=O)N[C@@H](COC(=O)CCCCCCCCCCCCC(C)C)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 ZINC000085598497 KK Annotated Anodyne in-man CC(=O)N[C@H](COC(=O)CCCCCCCCCCCCC(C)C)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 ZINC000085598498 KK Annotated Anodyne in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](OS(=O)(=O)O)CC2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000085598587 KK Annotated Mild C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1C/C=C1\CCOC1=O ZINC000085598602 KK Annotated Mild Brc1ccc2c(-c3c(Br)[nH]c4cc(Br)ccc34)c(Br)[nH]c2c1 ZINC000085598697 KK Annotated Anodyne CNC(=O)c1nc([C@]2(C)CSC([C@]3(C)CSC([C@]4(C)CSC(/C=C/c5ccccc5)=N4)=N3)=N2)oc1C ZINC000085598850 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](O)[C@@H](C)[C@H](O)/C(C)=C/[C@@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000085598855 KK Annotated Anodyne COc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)CO[C@@H](C)C5)c2c1)C[C@H](C)OC3 ZINC000085599087 KK Annotated Anodyne C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)[C@H](C(=O)OC)C(=c5[nH]c(c(C)c5CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)=C2)C4=N3)C(CC)=C1C ZINC000085599233 KK Annotated Anodyne in-vitro C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[nH]c4c(c3C)=C(O)[C@H](C(=O)OC)C=4C3=NC(=C2)[C@@H](C)[C@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C ZINC000085599264 KK Annotated Anodyne in-vitro C/C=C(\C)C(=O)N[C@H](C)C(=O)O[C@H]1C/C=C/C=C/C=C/[C@H](OC)CC(=O)Nc2cc(O)cc(c2)CC/C=C(/C)[C@H](O)[C@H]1C ZINC000085599314 KK Annotated Anodyne CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)OC)C[C@H]([N+](C)(C)C)[C@H]3O)[C@@H]2C)CC=C1C ZINC000085599466 KK Annotated Bother CC[C@H]1O[C@@H](/C(C)=C/[C@H](C)/C=C/[C@@H]2[C@@H](/C=C/[C@@H]3O[C@H](CC(=O)O)C[C@H]([N+](C)(C)[O-])[C@H]3O)[C@@H]2C)CC=C1C ZINC000085599471 KK Annotated Bother C=CC(C)(C)c1ccc2[nH]c3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C ZINC000085599497 KK Annotated Mild CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 ZINC000085599626 KK Annotated Reactive CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](OS(=O)(=O)O)C1 ZINC000085599703 KK Annotated Anodyne CCCCC/C=C/C=C/CCCCCCCCC(=O)OC[C@@H](CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2)NC(C)=O ZINC000085599788 KK Annotated Anodyne in-man endogenous CCCCC/C=C/C=C/CCCCCCCCC(=O)OC[C@H](CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2)NC(C)=O ZINC000085599790 KK Annotated Anodyne in-man endogenous CC(=O)N[C@@H](COC(=O)CCCCCCCCCCCCCCC(C)C)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 ZINC000085599796 KK Annotated Anodyne in-man CC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2 ZINC000085599799 KK Annotated Anodyne in-man CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]1(C)C[C@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000085599982 KK Annotated Mild in-man endogenous C=C1Cc2ccc3[nH]c4c(c3c2[C@H]2[C@@H]1C[C@@H]2C(C)(C)O)C[C@@H]1CC[C@@]2(O)[C@@]35O[C@@H]3[C@@H](O)[C@@H](C(=C)C)O[C@H]5CC[C@]2(C)[C@@]41C ZINC000085600090 KK Annotated Mild CCCCC[C@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CC#CNC(NC)=Nc2cc(cc3c2OC#CC[C@H]2C[C@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 ZINC000085600124 KK Annotated Mild in-vitro biogenic CNC(=O)c1nc([C@]2(C)CSC([C@]3(C)CSC([C@]4(C)CSC([C@]5(C)CSC(C(C)C)=N5)=N4)=N3)=N2)oc1C ZINC000085600136 KK Annotated Anodyne CCc1oc([C@H](C)[C@H](O)[C@@H](C)[C@@H](O)/C(C)=C/[C@H](C)c2oc([C@@H](C)[C@@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000085600151 KK Annotated Anodyne C/C(=C\C=C\C=C\C=C\[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H](O)/C(C)=C/[C@@H](C)CCc1ccccc1)C(=O)N[C@@H](C)CO ZINC000085600264 KK Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C1=C2O[C@H]2C=C3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H](O)C[C@]23O1 ZINC000085600436 KK Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)C1=C2O[C@H]2C=C3[C@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]3[C@@]3(C)CC[C@H](O)C[C@]23O1 ZINC000085600438 KK Annotated Anodyne COC1=C(N)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000085600462 KK Annotated Mild in-vitro CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)O[C@](C)(CC(=O)C=C(C)C)CC2 ZINC000085600845 KK Annotated Mild CC(C)c1c(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)c(C(C)C)c(O)c8c(c1O)c2c(c34)c(c65)c78 ZINC000085600855 KK Annotated Bother C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](OC(=O)/C=C/C(=O)O)[C@@H]1C ZINC000085600961 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@H]1O[C@@](O)(CC)[C@H](C)C[C@@H]1C)[C@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@@H]1C ZINC000085601355 KK Annotated Anodyne CCc1oc([C@@H](C)/C=C(\C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)c2oc([C@H](C)[C@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000085601524 KK Annotated Anodyne CCc1oc([C@@H](C)[C@@H](O)[C@H](C)[C@H](O)/C(C)=C/[C@@H](C)c2oc([C@@H](C)[C@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000085601526 KK Annotated Anodyne CCc1oc([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@@H](C)c2oc([C@H](C)[C@H](O)CC)c(C)c(=O)c2C)c(C)c(=O)c1C ZINC000085601529 KK Annotated Anodyne Brc1ccc2[nH]c(Br)c(-c3c(Br)[nH]c4ccc(Br)cc34)c2c1 ZINC000085601606 KK Annotated Anodyne Brc1ccc2c(c1)c(Br)c(Br)n2-c1c(Br)[nH]c2ccc(Br)c(Br)c12 ZINC000085601610 KK Annotated Anodyne COc1cc(Br)c(-c2c(Br)[nH]c3ccc(Br)cc23)c2c(Br)c[nH]c12 ZINC000085601612 KK Annotated Anodyne COc1cc(Br)c(-n2cc(Br)c3cc(Br)ccc32)c2c(Br)c[nH]c12 ZINC000085601614 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000085602274 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000085602287 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O ZINC000085602354 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O ZINC000085602357 KK Annotated Mild in-man endogenous CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O ZINC000085602362 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000085602392 KK Annotated Mild C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000085602431 KK Annotated Mild CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)/C(C)=C/C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2 ZINC000085602690 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000085603189 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000085603193 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000085603205 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000085603207 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@@H](C)CCC[C@@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O ZINC000085603217 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000085603231 KK Annotated Mild CC1=C(C/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000085603243 KK Annotated Mild CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H]2O[C@H]2[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]52)CC[C@@]43C)C1(C)C ZINC000085605566 KK Annotated Anodyne in-man CC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H]2O[C@H]2[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]52)CC[C@@]43C)C1(C)C ZINC000085605569 KK Annotated Anodyne in-man CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H]2O[C@H]2[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]52)CC[C@@]43C)C1(C)C ZINC000085605571 KK Annotated Anodyne in-man CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H]2O[C@H]2[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]52)CC[C@@]43C)C1(C)C ZINC000085605574 KK Annotated Anodyne in-man CC(=O)O[C@@H]1[C@H](OC(C)=O)C2=C(CC[C@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C ZINC000085609356 KK Annotated Anodyne O=C(Cc1ccccc1)Oc1c(-c2ccc(O)c(O)c2)c(OC(=O)Cc2ccccc2)c2oc3cc(O)c(O)cc3c2c1OC(=O)Cc1ccccc1 ZINC000085610912 KK Annotated Clean in-vitro biogenic CCCCCCCCCCCCCCC/C=C\C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CO/C(=C2/C(=O)C=CC=C2C)N1)C(=O)O[C@@H](CC)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000085617865 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000085617919 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000085617927 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000085617931 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCN(O)C1=O ZINC000085617938 KK Annotated Mild in-vitro C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6cc(CO)ccc6[C@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624040 KK Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@H](CCN)CCC[C@H](C)CNC(=N)NC)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624046 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CC[C@H](O)CCc5ccnc(N)c5)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C2 ZINC000085624057 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6ccccc6[C@H]5O)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C2 ZINC000085624060 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CC[C@H](O)CCc5ccnc(N)c5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624063 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)C[C@@H]5C=Cc6ccccc6[C@H]5O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624066 KK Annotated Mild in-vitro biogenic CCCC[C@@H]1CC[C@@H](N)C[C@H]1CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624068 KK Annotated Mild in-vitro biogenic CC(=O)CC[C@@H](O)CC[C@@H](N)CCCCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624070 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@H](CCN)CCC[C@H](C)CCCO)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624073 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@@H]5CC[C@@H](CCO)[C@H](N)C5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624076 KK Annotated Mild in-vitro biogenic CC(C)CC[C@H](O)CC[C@H](N)CCCCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@@H]3CCC[C@@H]3[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624079 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624080 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)[C@H]3C=C[C@@]5(CCC[C@H]5C3)[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624083 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CCCO)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000085624088 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624090 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC5(CCN)CCCC5)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000085624093 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624095 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CCCO)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C2 ZINC000085624099 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C21CCCC1 ZINC000085624102 KK Annotated Mild in-vitro biogenic CNC[C@H](NC[C@H](C)O)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000085624109 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H](CCCO)[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CCCO)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624111 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCC[C@H](N)CCCO)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624114 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@@H]12 ZINC000085624118 KK Annotated Mild in-vitro biogenic CCN[C@@H](COc1cc(CCc2c[c-](CO)c(CCCCCCCN)[o+]2)ccc1O)[C+]1C=C2C(=N1)CC1(CCCC1)[C@H]1CCC[C@H]1[C@@H]2CNC[C@H](C)O ZINC000085624120 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC5(CCN)CCCC5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@@H]21 ZINC000085624124 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC[C@H](CN)Cc5ccccc5)[o+]4)ccc3O)N=C2CC2(CCCC2)[C@H]2CCC[C@H]21 ZINC000085624129 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2[C@H]2C=C[C@@]13CCC[C@@H]3C2 ZINC000085624132 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)[C@@H]3C=C[C@]5(CCC[C@@H]5C35CCCC5)[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624135 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)[C@@H]3C=C[C@]5(CCC[C@@H]5C35CCCC5)[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624138 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC3(CCCC3)[C@@H]3CCC[C@@H]3[C@@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624141 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)CC3(CCCC3)[C@@H]3CCC[C@@H]3[C@@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624143 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@H]4[C@H](CCCO)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624149 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)CC3(CCCC3)[C@@H]3CCC[C@@H]3[C@@H]4[C@H](CCCO)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624152 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC3(C)CCCC3)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624155 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624156 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)CC3(CCCC3)[C@@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624160 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624163 KK Annotated Mild in-vitro biogenic CCN[C@@H](COc1cc(CCc2c[c-](CO)c(CCCCCCCN)[o+]2)ccc1O)[C+]1C=C2C(=N1)CC[C@H]1CCC[C@@H]1[C@@H]2CNC[C@H](C)O ZINC000085624166 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624168 KK Annotated Mild in-vitro biogenic CN[C@@H](COc1cc(CCc2c[c-](CO)c(CCCCCCCN)[o+]2)ccc1O)[C+]1C=C2C(=N1)CC[C@H]1CCC[C@@H]1[C@@H]2CNC[C@H](C)O ZINC000085624172 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)[C@H]3C=C[C@@]5(CCC[C@@H]5C3)[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624174 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)[C@H]3C=C[C@@]5(CCC[C@@H]5C3)[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624177 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC[C@H](CN)Cc5ccccc5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624180 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624184 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CCCO)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624186 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CCCO)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624188 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C4C(=N3)[C@H]3C=C[C@@]5(CCC[C@@H]5C3)[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624191 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624196 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624199 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CCCO)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624202 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624206 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C4C(=N3)CC3(CCCC3)[C@@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624208 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+](CCOc3cc(CCc4c[c-](CO)c(CCCCCCCN)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085624211 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC3CCCCC3)[C+]3C=C4C(=N3)CC[C@@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624212 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC3([C+]4C=C5C(=N4)CC[C@H]4CCC[C@@H]4[C@@H]5CNC[C@H](C)O)CCCCC3)c2)c[c-]1CO ZINC000085624216 KK Annotated Mild in-vitro biogenic CCN[C@@H](COc1cc(CCc2c[c-](CO)c(CCCCCCCN)[o+]2)ccc1O)[C+]1C=C([C@H](CNC[C@H](C)O)C2CCCC2)C=N1 ZINC000085624222 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C4C(=N3)[C@H]3C=C[C@@]5(CCC[C@@H]5C3)[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624224 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@H]4[C@H](CNC)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624226 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4[C@H](CCCO)NC[C@H](C)O)c2)c[c-]1CO ZINC000085624229 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](C4CCCC4)[C@H](CCCO)NC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624239 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085624243 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C([C@H](CNC[C@H](C)O)[C@@H]4CCCC45CCCC5)C=N3)c2)c[c-]1CO ZINC000085624249 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NC3(C)CCCC3)[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)c[c-]1CO ZINC000085624252 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)c[c-]1CO ZINC000085624255 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC3([C+]4C=C([C@H](CNC[C@H](C)O)C5CCCC5)C=N4)CCCC3)c2)c[c-]1CO ZINC000085624267 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H](C1=C[C+](CCOc2cc(CCc3c[c-](CO)c(CCCCCCCN)[o+]3)ccc2O)N=C1)C1CCCC1 ZINC000085624270 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC3([C+]4C=C([C@H](CNC[C@H](C)O)C5CCCC5)C=N4)CCCCC3)c2)c[c-]1CO ZINC000085624275 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C4CCCC4)[C@H](CNC)NC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624292 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C4CCCC4)[C@H](CCCO)NC[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624299 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)c[c-]1CO ZINC000085624302 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)[o+]1 ZINC000085624305 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)[o+]1 ZINC000085624309 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC3([C+]4C=C([C@H](C)CNC[C@H](C)O)C=N4)CCCCC3)c2)c[c-]1CO ZINC000085624322 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OC[C@H](NCC)[C+]3C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624355 KK Annotated Mild in-vitro biogenic CCCCc1[o+]c(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N3)c2)c[c-]1CO ZINC000085624358 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](CNC[C@H](C)O)C4CCCC4)C=N3)c2)[o+]1 ZINC000085624364 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@H](C)C1=C[C+](CCOc2cc(CCc3c[cH-]c(CCCCCCCN)[o+]3)ccc2O)N=C1 ZINC000085624380 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](CC[C@H](O)[C@H](C)O)C4CCCC4)C=N3)c2)[o+]1 ZINC000085624383 KK Annotated Mild in-vitro biogenic C[C@@H](CC[C@@H](O)[C@H](C)O)C1=C[C+](CCOc2cc(CCc3c[cH-]c(CCCCCCCN)[o+]3)ccc2O)N=C1 ZINC000085624385 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC3([C+]4C=C([C@H](C)CNC[C@H](C)O)C=N4)CCCCC3)c2)[o+]1 ZINC000085624388 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC3([C+]4C=C([C@H](C)CC[C@H](O)[C@H](C)O)C=N4)CCCCC3)c2)[o+]1 ZINC000085624396 KK Annotated Mild in-vitro biogenic CCCCc1[cH-]cc(CCc2ccc(O)c(OCC[C+]3C=C([C@H](C)[C@H](CCCO)NC[C@H](C)O)C=N3)c2)[o+]1 ZINC000085624405 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(O)c(OC)c2)C#CCNc2cc(ccn2)[C@H](c2cccc(O)c2)CC2=C(C=N[CH+]2)C1 ZINC000085624501 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2C#CCNc3cc(ccn3)[C@@H](c3cccc(O)c3)CC3=C(C=N[CH+]3)C[C@]3(C=CC=C[C@H]3C)CC[C@@H](OC(C)=O)CC(=O)C2)ccc1O ZINC000085624504 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)C#CCNc2cc(ccn2)[C@H](c2cccc(O)c2)CC2=C(C=N[CH+]2)C1 ZINC000085624507 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2C#CCNc3cc(ccn3)[C@H](c3cccc(O)c3)CC3=C(C=N[CH+]3)[C@H]3C=CCC[C@H]3CC[C@@H](OC(C)=O)CC(=O)C2)ccc1O ZINC000085624510 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2cc(CNC)c(O)c(OC)c2)C#CCNc2cc(ccn2)[C@H](c2cccc(O)c2)CC2=C(C=N[CH+]2)C1 ZINC000085624513 KK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C#CC2(CCCC2)Nc2cc(ccn2)[C@@H](c2cccc(O)c2)CC2=C(C=N[CH+]2)C1 ZINC000085624516 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)[C@H](c2cccc(O)c2)CC2=C(C=N[CH+]2)C1 ZINC000085624519 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)C#CCNc2cc(ccn2)CCC2=C(C=N[CH+]2)C1 ZINC000085624522 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2C#CCNc3cc(ccn3)CCC3=C(C=N[CH+]3)C[C@]3(C=CC=C[C@@H]3C)CC[C@@H](OC(C)=O)CC(=O)C2)ccc1O ZINC000085624525 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)[C@H](CCCOC)CC2=C(C=N[CH+]2)C1 ZINC000085624528 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)C#CCNc2cc(ccn2)CCC2=C(C=N[CH+]2)C1 ZINC000085624530 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)[C@H](CCO)CC2=C(C=N[CH+]2)C1 ZINC000085624533 KK Annotated Mild in-vitro biogenic CC[C@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)C2(CCCCC2)CC2=C(C=N[CH+]2)C1 ZINC000085624535 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)[C@H](CCCO)CC2=C(C=N[CH+]2)C1 ZINC000085624537 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@H](c2cc(CNC)c(O)c(OC)c2)C#CCNc2cc(ccn2)CCC2=C(C=N[CH+]2)C1 ZINC000085624542 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)C#CCNc2cc(ccn2)CCC2=C(C=N[CH+]2)C1 ZINC000085624545 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CSSC[C@@H](C3=C[CH+]N=C3)[C@H](C[C@H]3C=CC=C[C@@H]3C)[C@@H](OC(C)=O)CC(=O)C2)cc(O)c1O ZINC000085624547 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C=C[C@@]2(C3=C[CH+]N=C3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 ZINC000085624550 KK Annotated Reactive in-vitro biogenic CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1C1=C[CH+]N=C1 ZINC000085624552 KK Annotated Reactive in-vitro biogenic CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@H]2c3cc(OC)c(O)c(O)c3CC[C@H]2SSC[C@H]1C1=C[CH+]N=C1 ZINC000085624557 KK Annotated Reactive in-vitro biogenic CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)C2(CCCC2)SSC[C@@H]1C1=C[CH+]N=C1 ZINC000085624560 KK Annotated Reactive in-vitro biogenic CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(O)c(OC)c2)CSSC[C@H]1C1=C[CH+]N=C1 ZINC000085624563 KK Annotated Reactive in-vitro biogenic COc1cc([C@H]2CSSC[C@@H](C3=C[CH+]N=C3)[C@H](C[C@H]3C=CC=C[C@@H]3C)[C@@H](OC(C)=O)CC(=O)C2)ccc1O ZINC000085624566 KK Annotated Reactive in-vitro biogenic CC[C@H]1CC[C@]2(C3=C[CH+]N=C3)CSSC[C@@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 ZINC000085624571 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C=C[C@@]2(C3=C[CH+]N=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 ZINC000085624572 KK Annotated Reactive in-vitro biogenic CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CSSC[C@@H]1C1=C[CH+]N=C1 ZINC000085624575 KK Annotated Reactive in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(CCc2ccnc(NCCC(C)=O)c2)[CH+]N=C1 ZINC000085624578 KK Annotated Mild in-vitro biogenic CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@H]2c3cc(OC)c(O)cc3CC[C@H]2SSC[C@@H]1C1=C[CH+]N=C1 ZINC000085624581 KK Annotated Reactive in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(C[C@H](c2cccc(O)c2)c2ccnc(N)c2)[CH+]N=C1 ZINC000085624584 KK Annotated Mild in-vitro biogenic CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2(CCCC2)SSC[C@H]1C1=C[CH+]N=C1 ZINC000085624588 KK Annotated Reactive in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1cc(O)c(O)c(OC)c1)OC(C)=O)CC1=C(CCc2ccnc(N)c2)[CH+]N=C1 ZINC000085624589 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@@H](CC[C@]2(CC3=C(CCc4ccnc(N)c4)[CH+]N=C3)C=CC=C[C@@H]2C)OC(C)=O)ccc1O ZINC000085624592 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(C[C@H](CCCOC)c2ccnc(N)c2)[CH+]N=C1 ZINC000085624595 KK Annotated Mild in-vitro biogenic CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)CSSC[C@H]1C1=C[CH+]N=C1 ZINC000085624604 KK Annotated Reactive in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(Oc2cccc(O)c2)c(OC)c1)OC(C)=O)CC1=C(CCc2ccnc(N)c2)[CH+]N=C1 ZINC000085624611 KK Annotated Mild in-vitro biogenic CC[C@@H]1CC[C@@H](C2=C[CH+]N=C2)[C@@H]([C@H](CC(=O)CCc2ccc(Oc3cccc(O)c3)c(OC)c2)OC(C)=O)C1 ZINC000085624618 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(C[C@H](CCO)c2ccnc(N)c2)[CH+]N=C1 ZINC000085624623 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(CC2(c3ccnc(N)c3)CCCCC2)[CH+]N=C1 ZINC000085624626 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(C[C@H](CCCO)c2ccnc(N)c2)[CH+]N=C1 ZINC000085624631 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1cc(OC)c(O)cc1CNC)OC(C)=O)CC1=C(CCc2ccnc(N)c2)[CH+]N=C1 ZINC000085624634 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(CC2(c3ccnc(N)c3)CCCC2)[CH+]N=C1 ZINC000085624638 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(CCc2ccnc(N)c2)[CH+]N=C1 ZINC000085624651 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(Oc2cccc(O)c2)c(OC)c1)OC(C)=O)CC1=C[CH+]N=C1 ZINC000085624690 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(CCc2ccccc2)[CH+]N=C1 ZINC000085624715 KK Annotated Mild in-vitro biogenic CC[C@H](CC[C@H](CC(=O)CCc1ccc(O)c(OC)c1)OC(C)=O)CC1=C(Cc2ccccc2)[CH+]N=C1 ZINC000085624720 KK Annotated Mild in-vitro biogenic CC[C@@H]1C(CO)=C(C(=O)CCc2cc(OC3CCCC3)c(O)c3c2C#CC[C@H](N=C(N)N)C[C@H]2C=C4[C@@H](c5cccc(O)c5)C[C@@H](C)C[C@H]4[C@H]3[C@H]2COC)CC[C@H]1CO ZINC000085624756 KK Annotated Mild in-vitro biogenic COC[C@H]1[C@@H]2C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@H]3[C@@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C(\CO)[C@H]3CCC=C[C@@H]3CO)c1C#CC[C@H](N=C(N)N)C2 ZINC000085624758 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](c4cccc(O)c4)C[C@H](C)C[C@]34CC[C@H](OC)[C@H]1[C@H]24)CO ZINC000085624763 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@]1(CO)C=C3[C@@H](c4cccc(O)c4)C[C@H](C)C[C@@H]3[C@@H]2[C@H]1COC)CO ZINC000085624770 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@H]3[C@H]2[C@H]1COC)CO ZINC000085624775 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@H](c4cccc(O)c4)C[C@@H](C)C[C@]34CC[C@@H](OC)[C@H]1[C@H]24)CO ZINC000085624778 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@H](N=C(N)N)[C@H]3C[C@H](COC)[C@@H]2CC[C@@H](C)CC#C[C@@]12Cc1ccccc1CC1=C2C3=CC1)CO ZINC000085624780 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@@H](Cc3ccccc3)C#CC[C@@H](C)C[C@@H]3CC[C@H](OC)[C@H](CC[C@H]1N=C(N)N)[C@@H]23)CO ZINC000085624783 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](C[C@H](C)C[C@H]3c3cccc(O)c3)[C@@H]2[C@H]1COC1CCCCC1)CO ZINC000085624787 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@H](Cc3ccccc3)C#CC[C@H](C)CC[C@@H]2[C@H](COC)CC[C@@H]1N=C(N)N)CO ZINC000085624790 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)[C@H]1C=C[C@@H](OC)[C@@H]3[C@@H]2[C@@H]2C[C@H](C)C[C@@H](c4cccc(O)c4)C2=C[C@@H]31)CO ZINC000085624793 KK Annotated Mild in-vitro biogenic COC[C@H]1[C@@H]2C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@H]3[C@@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C(\CO)CCC3CCCC3)c1C#CC[C@H](N=C(N)N)C2 ZINC000085624799 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@@H](N=C(N)N)[C@H]3C=C[C@H](OC)[C@H](C3)[C@@H]2CC[C@@H](C)CC#C[C@@H]1Cc1ccccc1)CO ZINC000085624804 KK Annotated Mild in-vitro biogenic COC[C@@H]1CC[C@@H](N=C(N)N)[C@H]2C#Cc3c(CCC(=O)/C=C(\CO)CCC4CCCC4)cc(OC4CCCC4)c(O)c3[C@@H]1CC[C@@H](C)CC#C[C@H]2Cc1ccccc1 ZINC000085624807 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@]1(CO)C=C3[C@@H](c4cccc(O)c4)C[C@H](C)C[C@@H]3[C@@H]2[C@H]1COC)CO ZINC000085624812 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@H]3[C@H]2[C@H]1COC)CO ZINC000085624815 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H]1C[C@H]3C=C4[C@@H](C[C@H](C)C[C@@H]4[C@@H]2[C@@H]3COC)c2cc(O)cc(c2)Cc2cccc(c2)CN/C(N)=N/1 ZINC000085624818 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@H](Cc3ccccc3)C#CC[C@H](C)CC[C@@H]2[C@@H](COC)[C@H](CO)C[C@H]1N=C(N)N)CO ZINC000085624821 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CC[C@H](C)CC#C[C@@H]1Cc1ccccc1)CO ZINC000085624824 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3CC[C@@H](C)C[C@@]34CC[C@@H](OC)[C@@H]1[C@@H]24)CO ZINC000085624827 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1[C@H](N=C(N)N)CC[C@@H](COC)[C@H]2CC[C@@H](C)CC#C[C@H]1C1(c2ccccc2)CCCCC1)CO ZINC000085624830 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1CC#CC[C@H](C)CC[C@@H]2[C@@H](COC)CC[C@@H]1N=C(N)N)CO ZINC000085624831 KK Annotated Mild in-vitro biogenic CC[C@@H](CCO)/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3CC[C@@H](C)C[C@H]3[C@H]2[C@@H]1COC)CO ZINC000085624833 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](C[C@H](C)C[C@H]3c3cccc(O)c3)[C@@H]2[C@H]1COC)CCO ZINC000085624835 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)C[C@H]1C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@@]34CC[C@@H](OC)[C@@H]1[C@@H]24 ZINC000085624837 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](CNC)C[C@H](C)C[C@@H]3[C@@H]2[C@H]1COC)CO ZINC000085624840 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@H]3[C@H]2[C@H]1COC1CCCCC1)CO ZINC000085624843 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@H](CCCO)C#CC[C@H](C)CC[C@@H]2[C@H](COC)CC[C@H]1N=C(N)N)CO ZINC000085624846 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1CC#CC[C@H](C)CC[C@H]2[C@H]2C[C@H](C=C[C@@H]2OC)[C@H]1N=C(N)N)CO ZINC000085624848 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)[C@H]1C=C[C@H](OC)[C@H]3[C@@H]2[C@@H]2C[C@@H](C)CCC2=C[C@H]13)CO ZINC000085624853 KK Annotated Mild in-vitro biogenic COC[C@H]1CC[C@H](N=C(N)N)[C@@H]2C#Cc3c(CCC(=O)/C=C(\CO)CCC4CCCC4)cc(OC4CCCC4)c(O)c3[C@@H]1CC[C@@H](C)CC#CC2 ZINC000085624856 KK Annotated Mild in-vitro biogenic COC[C@@H]1[C@@H]2C=C3CC[C@H](C)C[C@H]3[C@@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C(\CO)CCC3CCCC3)c1C#CC[C@H](N=C(N)N)C2 ZINC000085624862 KK Annotated Mild in-vitro biogenic COC[C@H]1[C@@H]2C=C3[C@@H](c4cccc(O)c4)C[C@H](C)C[C@H]3[C@@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C/CCC3CCCC3)c1C#CC[C@H](N=C(N)N)C2 ZINC000085624867 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)[C@H]1C=C[C@@H](OC)[C@@H]3[C@@H]2[C@@H]2C[C@H](C)C[C@@H](c4cccc(O)c4)C2=C[C@@H]31 ZINC000085624873 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1CC#CC[C@H](C)CC[C@H]2[C@H](COC)[C@H](CO)C[C@@H]1N=C(N)N)CO ZINC000085624877 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)C[C@]1(CO)C=C3CC[C@H](C)C[C@@H]3[C@@H]2[C@H]1COC)CO ZINC000085624881 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1CC#CC[C@H](C)CC[C@@H]2[C@@H](COC)CC[C@@H]1N=C(N)N)CO ZINC000085624885 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)C[C@H]1C=C3CC[C@H](C)C[C@H]3[C@@H]2[C@H]1COC)CO ZINC000085624888 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](C[C@H](C)C[C@H]3c3cccc(O)c3)[C@H]2[C@@H]1COC ZINC000085624890 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@H](Cc3ccccc3)C#CC[C@H](C)CC[C@@H]2[C@H](COC)CC[C@@H]1N=C(N)N ZINC000085624893 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3CC[C@H](C)C[C@@]34CC[C@@H](OC)[C@@H]1[C@H]24 ZINC000085624902 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1CC#CC[C@H](C)CC[C@@H]2[C@@H](COC)CC[C@@H]1N=C(N)N)CCO ZINC000085624905 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3CC[C@@H](C)C[C@H]3[C@H]2[C@@H]1COC)CCO ZINC000085624907 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)C[C@H]1C=C3CC[C@H](C)C[C@H]3[C@@H]2[C@@H]1COC1CCCCC1)CO ZINC000085624909 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](CNC)C[C@H](C)C[C@@H]3[C@@H]2[C@H]1COC ZINC000085624916 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3[C@@H](c4cccc(O)c4)C[C@@H](C)C[C@H]3[C@H]2[C@H]1COC1CCCCC1 ZINC000085624921 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CC[C@H](C)CC#C[C@@H]1CCCO ZINC000085624924 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@H]1CC#CC[C@H](C)CC[C@H]2[C@H]2C[C@H](C=C[C@@H]2OC)[C@H]1N=C(N)N ZINC000085624928 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)[C@H]1C=C[C@H](OC)[C@H]3[C@@H]2[C@@H]2C[C@@H](C)CCC2=C[C@H]13 ZINC000085624932 KK Annotated Mild in-vitro biogenic COC[C@H]1CC[C@H](N=C(N)N)[C@@H]2C#Cc3c(CCC(=O)/C=C/CCC4CCCC4)cc(OC4CCCC4)c(O)c3[C@@H]1CC[C@@H](C)CC#CC2 ZINC000085624933 KK Annotated Mild in-vitro biogenic COC[C@@H]1[C@@H]2C=C3CC[C@@H](C)C[C@H]3[C@@H]1c1c(O)c(OC3CCCC3)cc(CCC(=O)/C=C/CCC3CCCC3)c1C#CC[C@H](N=C(N)N)C2 ZINC000085624938 KK Annotated Mild in-vitro biogenic COC[C@@H]1CC[C@@H](N=C(N)N)CC#Cc2c(CCC(=O)/C=C(\CO)CCC3CCCC3)cc(OC3CCCC3)c(O)c2[C@@H]1CCC(C)=O ZINC000085624947 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H](c1cccc(O)c1)[C@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)=O)CO ZINC000085624951 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H]1CC#CC[C@H](C)CC[C@@H]2[C@@H](COC)CC[C@@H]1N=C(N)N ZINC000085624956 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3CC[C@@H](C)C[C@H]3[C@H]2[C@@H]1COC ZINC000085624957 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)CC[C@@H]1[C@@H]2[C@@H](CC(C)C)CC[C@H]1OC ZINC000085624963 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@H]3C[C@H](C)CCC3=C[C@H](CCN=C(N)N)[C@H]2COC)c1)CO ZINC000085624965 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@@H]2[C@H]3C[C@@H](C)C[C@H](c4cccc(O)c4)C3=C[C@H](CCN=C(N)N)[C@H]2COC)c1 ZINC000085624966 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@H](N=C(N)N)C[C@H]1C=C3CC[C@@H](C)C[C@H]3[C@H]2[C@@H]1COC1CCCCC1 ZINC000085624968 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)C)CO ZINC000085624970 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)=O)CCO ZINC000085624971 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@@H]2[C@H]3[C@H](OC)C=C[C@H](CN=C(N)N)[C@H]3C=C3CC[C@H](C)C[C@@H]32)c1 ZINC000085624973 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@@H]2[C@@H]3C[C@@H](C)CCC3=C3CC[C@H](N=C(N)N)C[C@@H]3[C@@H]2COC)c1 ZINC000085624975 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@H]3[C@H](CCN=C(N)N)C=C4CC[C@@H](C)C[C@]42CC[C@H]3OC)c1 ZINC000085624977 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@@H]3C[C@H](C)CCC3=C[C@@H](CCN=C(N)N)[C@@H]2COC)c1)CCO ZINC000085624981 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@@H]3C[C@@H](C)C[C@H](CNC)C3=C[C@H](CCN=C(N)N)[C@@H]2COC)c1 ZINC000085624983 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)C)CCO ZINC000085624989 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)[C@H]1C=C[C@@H](OC)[C@H](C1)[C@@H]2CCC(C)=O ZINC000085624991 KK Annotated Mild in-vitro biogenic COC[C@H]1CC[C@H](N=C(N)N)CC#Cc2c(CCC(=O)/C=C/CCC3CCCC3)cc(OC3CCCC3)c(O)c2[C@@H]1CCC(C)=O ZINC000085624993 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H](c1cccc(O)c1)[C@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)=O ZINC000085624997 KK Annotated Mild in-vitro biogenic COC[C@@H]1[C@@H](c2cc(CCC(=O)/C=C/CCC3CCCC3)cc(OC3CCCC3)c2O)[C@@H]2C[C@H](C)CCC2=C[C@H]1CCN=C(N)N ZINC000085625000 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)[C@H]1C=C[C@H](OC)[C@H](C1)[C@@H]2CCC(C)C ZINC000085625005 KK Annotated Mild in-vitro biogenic COC[C@@H]1CC[C@@H](N=C(N)N)CC#Cc2c(CCC(=O)/C=C/CCC3CCCC3)cc(OC3CCCC3)c(O)c2[C@@H]1CCC(C)C ZINC000085625009 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H](c1cccc(O)c1)[C@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)C ZINC000085625013 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)=O ZINC000085625015 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@@H]3C[C@H](C)CCC3=C[C@@H](CCN=C(N)N)[C@@H]2COC)c1 ZINC000085625018 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#CC[C@@H](N=C(N)N)CC[C@H](COC)[C@H]2CCC(C)C ZINC000085625020 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@@H]3C[C@H](C)CCC3=C[C@@H](CCN=C(N)N)[C@@H]2COC2CCCCC2)c1 ZINC000085625023 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H]2[C@H](CC(C)C)CC[C@H](OC)[C@@H]2CCCN=C(N)N)c1 ZINC000085625025 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H](Cc1ccccc1)[C@H](N=C(N)N)CC[C@H](COC)C2 ZINC000085625030 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)=O)[C@@H]2C[C@H](CN=C(N)N)C=C[C@H]2OC)c1 ZINC000085625033 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1CC[C@H](CCN=C(N)N)[C@@H](COC)[C@H]2CCC(C)=O ZINC000085625040 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H](CCc1ccccc1)[C@H](N=C(N)N)CC[C@H](COC)C2 ZINC000085625044 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)C)[C@@H]2C[C@H](CN=C(N)N)C=C[C@H]2OC)c1 ZINC000085625049 KK Annotated Mild in-vitro biogenic CCC/C(=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)C)[C@H](CCCN=C(N)N)COC)c1)CO ZINC000085625055 KK Annotated Mild in-vitro biogenic COC[C@H]1CC[C@@H](N=C(N)N)CC#Cc2c(CCC(=O)/C=C/CCC3CCCC3)cc(OC3CCCC3)c(O)c2C1 ZINC000085625066 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c2c1C#C[C@@H](c1cccc(O)c1)[C@H](N=C(N)N)CC[C@H](COC)C2 ZINC000085625070 KK Annotated Mild in-vitro biogenic CC[C@H](/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)C)[C@H](CCCN=C(N)N)COC)c1)CCO ZINC000085625073 KK Annotated Mild in-vitro biogenic COC[C@H](CCCN=C(N)N)[C@H](CCC(C)=O)c1cc(CCC(=O)/C=C/CCC2CCCC2)cc(OC2CCCC2)c1O ZINC000085625076 KK Annotated Mild in-vitro biogenic COC[C@H](CCCN=C(N)N)[C@H](CCC(C)C)c1cc(CCC(=O)/C=C/CCC2CCCC2)cc(OC2CCCC2)c1O ZINC000085625083 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)=O)[C@H](CCCN=C(N)N)COC)c1 ZINC000085625087 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)C)[C@H](CCCN=C(N)N)COC)c1 ZINC000085625090 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)=O)[C@H](CCCN=C(N)N)COC2CCCCC2)c1 ZINC000085625092 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCC(C)C)[C@H](CCCN=C(N)N)COC2CCCCC2)c1 ZINC000085625094 KK Annotated Mild in-vitro biogenic COC[C@H](CCCN=C(N)N)Cc1cc(CCC(=O)/C=C/CCC2CCCC2)cc(OC2CCCC2)c1O ZINC000085625110 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(C[C@H](CCCN=C(N)N)COC2CCCCC2)c(O)c(OC2CCCC2)c1 ZINC000085625121 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC2CCCCC2)CCC(C)=O)c1 ZINC000085625150 KK Annotated Mild in-vitro biogenic CCC/C=C/C(=O)CCc1cc(OC2CCCC2)c(O)c([C@H](CCOC2CCCCC2)CCC(C)C)c1 ZINC000085625161 KK Annotated Mild in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3O)[C@H]3C[C@H]4C[C@H](Cc5ccccc5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625221 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H]([C@]45CC6(CCCC6)CC[C@@H]4c4[cH-]cnc4-c4ccccc45)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625222 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](Cc3ccc(O)cc3)[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625225 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@H]2C[C@H](Cc3ccc(O)cc3)[C@H]3C[C@H]4C[C@@H](Cc5ccccc5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625230 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@H]3[C@H]4[C@H](C=C[C@@H]3C3=C[CH+]N=C3)[C@@H]3C[C@@H](Cc5ccccc5)[C@@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c53)[C@@H]4[C@H]2O)ccc1O ZINC000085625233 KK Annotated Mild in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](CC3=C[CH+]N=C3)[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625236 KK Annotated Mild in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@@H](CC3=C[CH+]N=C3)[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625240 KK Annotated Mild in-vitro biogenic CC[C+]1C=C(C[C@@H]2C[C@@H](C(=O)CCc3ccc(O)c(OCN)c3)[C@H](O)[C@H]3[C@H]4c5cc(O)c(O)c(OCc6cccc(O)c6)c5[C@H](C[C@@H]4Cc4ccccc4)C[C@H]23)C=N1 ZINC000085625243 KK Annotated Mild in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2C[C@H](CC3=C[CH+]N=C3)[C@H]3C[C@H]4C[C@@H](Cc5ccccc5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625246 KK Annotated Mild in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@@H]([C@]45CCCC[C@H]4c4[cH-]cnc4-c4ccccc45)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625249 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@H]2C=C[C@H]3C[C@H]([C@@]45c6c7cccc6-c6nc[cH-]c6[C@H]4CCC[C@H]5CC7)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625254 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2CC[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625256 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2CC[C@H]3C[C@H]4C[C@H](C5(c6ccccc6)CCCC5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625261 KK Annotated Clean in-vitro biogenic CC(C)CC[C@@H]1CCC[C@]2([C@H]3C[C@@H]4C=C[C@@H]([C@@H](O)CC(=O)CCc5ccc(O)c(OCN)c5)[C@H]3c3cc(O)c(O)c(OCc5cccc(O)c5)c34)c3ccccc3-c3nc[cH-]c3[C@@H]12 ZINC000085625266 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@H]2C=C[C@H]3C[C@H]([C@]4(c5ccccc5)CCCC5(CCCC5)C4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625269 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)[C@@H]2CC[C@H]3C[C@H]4C[C@H](Cc5ccccc5)[C@H](c5cc(O)c(O)c(OCc6cccc(O)c6)c54)[C@@H]3[C@H]2O)ccc1O ZINC000085625274 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H]([C@@]45CCCC[C@@H]4CCc4ccccc45)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625277 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](C4(c5ccccc5)CCCCC4)[C@@H]2c2cc(O)c(O)c(O[C@@H]4CCNCC45CCCC5)c23)ccc1O ZINC000085625280 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@H]2C=C[C@H]3C[C@H](C4(c5ccccc5)CCCCC4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625286 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(O[C@@H]4CCNCC45CCCC5)c23)ccc1O ZINC000085625289 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2CC[C@H]3C[C@H](C4(c5ccccc5)CCCCC4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625294 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](C4(c5ccccc5)CCCC4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625298 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(O[C@@H]4CC5(CCCC5)NCC45CCCC5)c23)ccc1O ZINC000085625303 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2CC[C@H]3C[C@H](C4(c5ccccc5)CCCC4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625308 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(O[C@H]4C[C@@H](Cc5ccccc5)NCC45CCCC5)c23)ccc1O ZINC000085625312 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625317 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2CC[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625321 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](C4(c5ccccc5)CCCCC4)[C@@H]2c2cc(O)c(O)c(OC4CCNCC4)c23)ccc1O ZINC000085625326 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@H]2C[C@@H](Cc3ccccc3)[C@H]3C[C@@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)ccc1O ZINC000085625329 KK Annotated Clean in-vitro biogenic CC(C)CC[C@H]1CCC[C@@](c2ccccc2)([C@H]2C[C@@H]3C=C[C@@H]([C@@H](O)CC(=O)CCc4ccc(O)c(OCN)c4)[C@H]2c2cc(O)c(O)c(OCc4cccc(O)c4)c23)C1 ZINC000085625332 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2CC[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(OC4CCNCC4)c23)ccc1O ZINC000085625338 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@@H]2c3cc(O)c(O)c(O[C@@H]4CCNCC45CCCC5)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625342 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3CC[C@H]2C2(c3ccccc3)CCCCC2)ccc1O ZINC000085625345 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)[C@@H]2C=C[C@H]3C[C@H](Cc4ccccc4)[C@@H]2c2cc(O)c(O)c(O[C@@H]4CCN[C@H](Cc5ccccc5)C4)c23)ccc1O ZINC000085625349 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3CC[C@H]2C2(c3ccccc3)CCCC2)ccc1O ZINC000085625353 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625361 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OC4CCNCC4)c3CC[C@@H]2C2(c3ccccc3)CCCCC2)ccc1O ZINC000085625369 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(O[C@@H]4CCN[C@H](Cc5ccccc5)C4)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625372 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3[C@H](CCc3ccccc3)C[C@H]2Cc2ccccc2)ccc1O ZINC000085625382 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(O[C@@H]3CCNCC34CCCC4)c2)ccc1O ZINC000085625387 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@@H]3CC4(CCCC4)NCC34CCCC4)c2)ccc1O ZINC000085625392 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@H]3C[C@@H](Cc4ccccc4)NCC34CCCC4)c2)ccc1O ZINC000085625399 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@@H]3CCNCC34CCCC4)c2)ccc1O ZINC000085625404 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2CCCO)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625406 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625415 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCC2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625421 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OC3CCNCC3)c2)ccc1O ZINC000085625428 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625432 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(O[C@@H]3CCN[C@H](Cc4ccccc4)C3)c2)ccc1O ZINC000085625437 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc2c1CC[C@H](C1(c3ccccc3)CCCCC1)[C@H]2C[C@@H](O)CC(=O)CCc1ccc(O)c(OCN)c1 ZINC000085625439 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc2c1CC[C@H](C1(c3ccccc3)CCCC1)[C@H]2C[C@@H](O)CC(=O)CCc1ccc(O)c(OCN)c1 ZINC000085625445 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCc4cccc(O)c4)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625447 KK Annotated Clean in-vitro biogenic COc1c(O)c(O)cc2c1[C@H](CCc1ccccc1)C[C@@H](Cc1ccccc1)[C@H]2C[C@@H](O)CC(=O)CCc1ccc(O)c(OCN)c1 ZINC000085625450 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H]2c3cc(O)c(O)c(OCCc4ccccc4)c3CC[C@H]2Cc2ccccc2)ccc1O ZINC000085625453 KK Annotated Clean in-vitro biogenic CNCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625459 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2CCCO)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625467 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625470 KK Annotated Clean in-vitro biogenic COc1cc([C@H](C[C@@H](O)CC(=O)CCc2ccc(O)c(OCN)c2)CC2(c3ccccc3)CCCCC2)cc(O)c1O ZINC000085625474 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCC2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625479 KK Annotated Clean in-vitro biogenic CCCCC[C@H](C[C@@H](O)CC(=O)CCc1ccc(O)c(OCN)c1)c1cc(O)c(O)c(OCc2cccc(O)c2)c1 ZINC000085625483 KK Annotated Clean in-vitro biogenic COc1cc([C@H](C[C@@H](O)CC(=O)CCc2ccc(O)c(OCN)c2)CC2(c3ccccc3)CCCC2)cc(O)c1O ZINC000085625485 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCc3cccc(O)c3)c2)ccc1O ZINC000085625497 KK Annotated Clean in-vitro biogenic NCOc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCCc3ccccc3)c2)ccc1O ZINC000085625506 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OC3CCNCC3)c2)ccc1O ZINC000085625509 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCCC2)c2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625530 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CC2(c3ccccc3)CCCC2)c2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625538 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)CCc2cc(O)c(O)c(OC3(c4cccc(O)c4)CCCC3)c2)ccc1O ZINC000085625545 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)C[C@H](O)C[C@H](CCc2ccccc2)c2cc(O)c(O)c(OCCc3ccccc3)c2)ccc1O ZINC000085625572 KK Annotated Clean in-vitro biogenic COc1cc([C@H]2CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]3(CC[C@@H](O)[C@H]3Cc3[cH-]ccn3)[C@@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000085625599 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@@]23CC[C@H](O)[C@H]3Cc2[cH-]ccn2)ccc1O ZINC000085625602 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@@H](c3cc(O)c(O)c(OC)c3)C[C@@H]3C=Cc4cc(O)cc5ccc(c3c45)Nc3cc(ccn3)[C@@]23CC[C@@H](O)[C@H]3Cc2[cH-]ccn2)ccc1O ZINC000085625605 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c(OC)c2)[C@]2(CCC[C@H]2Cc2[cH-]ccn2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000085625607 KK Annotated Clean in-vitro biogenic COc1cc([C@@H]2CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]3(CCC[C@@H]3Cc3[cH-]ccn3)[C@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000085625610 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCC(C)C)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]23CCC[C@@H]3Cc2[cH-]ccn2)ccc1O ZINC000085625612 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]23CCC[C@@H]3Cc2[cH-]ccn2)ccc1O ZINC000085625613 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC)c3)C[C@@H]3C=Cc4cc(O)cc5ccc(c3c45)Nc3cc(ccn3)[C@@]23CCC[C@H]3Cc2[cH-]ccn2)ccc1O ZINC000085625617 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CC[C@H](O)[C@H]2Cc2[cH-]ccn2)cc(O)c1O ZINC000085625619 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CC[C@H](O)[C@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625622 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CC[C@@H](O)[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625625 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCC[C@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625628 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCC[C@H]2Cc2[cH-]ccn2)cc(O)c1O ZINC000085625630 KK Annotated Clean in-vitro biogenic CNC[C@H]1C[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]([C@H](O)CCc2ccc(O)c(OC)c2)C2(CCCC2)c2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000085625633 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCC[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625636 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@@H](c3cc(O)c(O)c(OC)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)[C@]23CCCC32CCCC2)ccc1O ZINC000085625639 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCC[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625642 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@@]2(c3ccnc(N)c3)CC[C@@H](O)[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625644 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCCCC(C)C)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625646 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3ccnc(N)c3)CC[C@H](O)[C@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625652 KK Annotated Clean in-vitro biogenic COc1cc([C@@H]2CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)C3(CCCC3)[C@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000085625660 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OCC(C)C)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625661 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@@H](c3cc(O)c(O)c(OC)c3)C[C@@H]3CCc4cc(O)cc5ccc(c3c45)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625666 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625668 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2C(=O)C[C@@H](c3cc(O)c(O)c(OC)c3)C[C@@H]3C=Cc4cc(O)cc5ccc(c3c45)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625671 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2C(=O)C[C@H](c3cc(O)c(O)c(OC4CCCCC4)c3)CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)C23CCCC3)ccc1O ZINC000085625675 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)[C@]2(c3ccnc(N)c3)CCC[C@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625681 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(N)c3)[C@H](Cc3ccccc3)C[C@@H](O)[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625686 KK Annotated Clean in-vitro biogenic COCCC[C@H]1c2ccnc(c2)Nc2ccc3cc(O)ccc3c2CC[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]1[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625691 KK Annotated Clean in-vitro biogenic CNC[C@H]1C[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@H]([C@H](O)CCc2ccc(O)c(OC)c2)Cc2ccnc(c2)Nc2ccc3cc(O)ccc3c21 ZINC000085625694 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2Cc3ccnc(c3)Nc3ccc4cc(O)ccc4c3CC[C@@H](c3cc(O)c(O)c(OCCCC(C)C)c3)CC2=O)ccc1O ZINC000085625696 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)[C@]2(c3ccnc(N)c3)CCC[C@H]2Cc2[cH-]ccn2)cc(O)c1O ZINC000085625700 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@@]2(c3ccnc(N)c3)CCC[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625702 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)[C@@]2(c3ccnc(N)c3)CCC[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625704 KK Annotated Clean in-vitro biogenic COc1cc([C@@H]2CCc3c(ccc4cc(O)ccc34)Nc3cc(ccn3)C[C@@H]([C@H](O)CCc3ccc(O)c4c3CCCO4)C(=O)C2)cc(O)c1O ZINC000085625707 KK Annotated Clean in-vitro biogenic CC[C@H]1c2ccnc(c2)Nc2ccc3cc(O)ccc3c2CC[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)[C@@H]1[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625711 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2Cc3ccnc(c3)Nc3ccc4cc(O)ccc4c3CC[C@@H](c3cc(O)c(O)c(OCC(C)C)c3)CC2=O)ccc1O ZINC000085625713 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CC[C@H](O)C2)ccc1O ZINC000085625716 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2Cc3ccnc(c3)Nc3ccc4cc(O)cc5c4c3[C@H](CC5)C[C@@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O ZINC000085625722 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2Cc3ccnc(c3)Nc3ccc4cc(O)ccc4c3CC[C@@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O ZINC000085625724 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H]2Cc3ccnc(c3)Nc3ccc4cc(O)cc5c4c3[C@@H](C=C5)C[C@H](c3cc(O)c(O)c(OC)c3)CC2=O)ccc1O ZINC000085625726 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC23CCCC3)ccc1O ZINC000085625731 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(N)c3)[C@H](Cc3ccccc3)CC[C@@H]2Cc2[cH-]ccn2)ccc1O ZINC000085625735 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H]2Cc3ccnc(c3)Nc3ccc4cc(O)ccc4c3CC[C@@H](c3cc(O)c(O)c(OC4CCCCC4)c3)CC2=O)ccc1O ZINC000085625736 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625740 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@H]([C@H](O)CCc2ccc(O)c3c2CCCO3)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)cc(O)c1O ZINC000085625743 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625748 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625751 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)C2(c3ccnc(Nc4ccc5cc(O)ccc5c4)c3)CCCC2)ccc1O ZINC000085625756 KK Annotated Clean in-vitro biogenic COCCC[C@@H](c1ccnc(Nc2ccc3cc(O)ccc3c2)c1)[C@H](C(=O)CCc1cc(O)c(O)c(OC)c1)[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625761 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625765 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2CO)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625771 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(N)c3)CCCC23CCCC3)ccc1O ZINC000085625775 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)C2(c3ccnc(N)c3)CCCC2)ccc1O ZINC000085625776 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)[C@H](O)CCc2ccc(O)c3c2CCCO3)cc(O)c1O ZINC000085625781 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2CO)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCCC2)ccc1O ZINC000085625784 KK Annotated Clean in-vitro biogenic CC[C@@H](c1ccnc(Nc2ccc3cc(O)ccc3c2)c1)[C@H](C(=O)CCc1cc(O)c(O)c(OC)c1)[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625786 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O ZINC000085625788 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OC)c2)ccc1O ZINC000085625792 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccnc(Nc3ccc4cc(O)ccc4c3)c2)C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)ccc1O ZINC000085625796 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)C2(c3ccnc(N)c3)CCCC2)ccc1O ZINC000085625821 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625829 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC3CCCCC3)c2)C2(c3ccnc(N)c3)CCCC2)ccc1O ZINC000085625833 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@H](C(=O)CCc2cc(O)c(O)c(OC)c2)[C@]2(c3ccnc(N)c3)CCC[C@H]2Cc2ccccc2)ccc1O ZINC000085625844 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCCC2)ccc1O ZINC000085625849 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2cccc(O)c2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O ZINC000085625850 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CCc2cc(O)c(O)c(OCCCC(C)C)c2)ccc1O ZINC000085625884 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCCC2)ccc1O ZINC000085625888 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O ZINC000085625891 KK Annotated Clean in-vitro biogenic COc1cc(CC[C@@H](O)[C@@H](Cc2ccccc2)C(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O ZINC000085625896 KK Annotated Clean in-vitro biogenic CC[C@@H](c1ccccc1)[C@H](C(=O)CCc1cc(O)c(O)c(OC)c1)[C@H](O)CCc1ccc(O)c(OC)c1 ZINC000085625897 KK Annotated Clean in-vitro biogenic CNC[C@@H]1C[C@]23C=C[C@H]4C[C@]5(O)CC(=O)C[C@@H](c6cc(OC)c(O)cc6CO)[C@@H](Cc6ccccc6)C#C[C@@H]6CN[C@@]4(CCC2)[C@@]3(c2cc(O)c(O)cc21)[C@@H]65 ZINC000085625932 KK Annotated Mild in-vitro biogenic CNC[C@@H]1C[C@H]2CCC[C@@]34CC[C@]5(O)CC(=O)C[C@@H](c6cc(OC)c(O)cc6CO)[C@H](Cc6ccccc6)C#C[C@@H](CN3)[C@H]5[C@]24c2cc(O)c(O)cc21 ZINC000085625954 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@@H]3[C@@H](C#C[C@@H]2Cc2ccccc2)CN[C@@H]2CC[C@@H]4CC5(CCCC5)[C@@H]5C[C@H]4[C@@]23c2cc(O)c(O)cc25)c(CO)cc1O ZINC000085625957 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@@]3(O)CC[C@]45CC[C@@H]6CC7(CCCC7)[C@H]7C[C@@H]6[C@@]4(c4cc(O)c(O)cc47)[C@H]3[C@H](C#C[C@@H]2Cc2ccccc2)CN5)c(CO)cc1O ZINC000085625959 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@@]3(O)C[C@@H]4C=C[C@]56C=Cc7cc(O)c(O)cc7[C@]57[C@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@]47CCC6)c(CO)cc1O ZINC000085625968 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@H]2CC[C@@H]4CC[C@H]5C[C@@H]4[C@]23c2cc(O)c(O)cc25)c(CO)cc1O ZINC000085625974 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@@]3(O)CC[C@]45CC[C@@H]6CC[C@H]7C[C@@H]6[C@@]4(c4cc(O)c(O)cc47)[C@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN5)c(CO)cc1O ZINC000085625978 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@@]3(O)CC[C@]45CCC[C@@H]6C=Cc7cc(O)c(O)cc7[C@@]64[C@H]3[C@H](C#C[C@@H]2Cc2ccccc2)CN5)c(CO)cc1O ZINC000085625990 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@@H](c2cc(OC)c(O)cc2CO)[C@@H](Cc2ccccc2)C#C[C@@H]2CN[C@@]34CCC[C@H]5C[C@H](CNC)c6cc(O)c(O)cc6[C@]53[C@@H]2[C@]1(O)CC4 ZINC000085626000 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@@H](c2cc(OC)c(O)cc2CO)[C@H](Cc2ccccc2)C#C[C@@H]2CN[C@H]3CCC[C@@H]4C[C@@H](CNC)c5cc(O)c(O)cc5[C@@]34[C@@H]2[C@H]1O ZINC000085626004 KK Annotated Mild in-vitro biogenic CNC[C@H]1C[C@@H]2CCC[C@H]3NC[C@H]4C#C[C@@H](Cc5ccccc5)[C@H](c5ccc(O)c(OC)c5)CC(=O)C[C@H](O)[C@H]4[C@@]23c2cc(O)c(O)cc21 ZINC000085626008 KK Annotated Mild in-vitro biogenic CNC[C@@H]1C[C@@H]2CCC[C@]34CC[C@]5(O)CC(=O)C[C@H](c6ccc(O)c(OC)c6)[C@@H](Cc6ccccc6)C#C[C@H](CN3)[C@@H]5[C@@]24c2cc(O)c(O)cc21 ZINC000085626011 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@H](c2cc(OC)c(O)cc2CO)[C@H](Cc2ccccc2)C#C[C@@H]2CN[C@]34CCC[C@@H]5C=Cc6cc(O)c(O)cc6[C@@]53[C@H]2[C@]1(O)CC4 ZINC000085626023 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@@H]2Cc2ccccc2)CN[C@H]2CCC[C@@H]4C=Cc5cc(O)c(O)cc5[C@]243)ccc1O ZINC000085626029 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@H]2CCC[C@H]4CCc5cc(O)c(O)cc5[C@]423)ccc1O ZINC000085626033 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@@]3(O)CC[C@]45CCC[C@@H]6C=Cc7cc(O)c(O)cc7[C@@]64[C@H]3[C@H](C#C[C@@H]2Cc2ccccc2)CN5)ccc1O ZINC000085626037 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@@]3(O)CC[C@]45CCCC[C@@]4(c4ccc(O)c(O)c4)[C@H]3[C@H](C#C[C@@H]2Cc2ccccc2)CN5)c(CO)cc1O ZINC000085626044 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H]([C@]34c5cc(O)c(O)cc5C=C[C@H]3CCC[C@@H]4O)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626048 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@H]([C@@]34c5cc(O)c(O)cc5CC[C@H]3CCC[C@H]4O)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626052 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@@]3(O)CC[C@@]4(O)CCCC[C@]4(c4ccc(O)c(O)c4)[C@@H]3CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626058 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@@H](c2ccc(O)c(OC)c2)[C@@H](Cc2ccccc2)C#C[C@@H]2CN[C@@H]3CCC[C@H]4CCc5cc(O)c(O)cc5[C@]43[C@@H]2[C@H]1O ZINC000085626062 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@@H](c2cc(OC)c(O)cc2CO)[C@H](Cc2ccccc2)C#C[C@@H]2CN[C@H]3CCCC[C@@]3(c3ccc(O)c(O)c3)[C@@H]2[C@H]1O ZINC000085626066 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@@H]3[C@H](C#C[C@H]2Cc2ccccc2)CN[C@H]2CCCC[C@]23c2ccc(O)c(O)c2)ccc1O ZINC000085626070 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@@]3(O)CC[C@]45CCCC[C@@]4(c4ccc(O)c(O)c4)[C@H]3[C@H](C#C[C@@H]2Cc2ccccc2)CN5)ccc1O ZINC000085626074 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H]([C@]3(c4ccc(O)c(O)c4)CCCC[C@H]3O)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626076 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@H](c2cc(OC)c(O)cc2CO)[C@H](Cc2ccccc2)C#C[C@@H](CO)[C@H](Cc2ccc(O)c(O)c2)[C@H]1O ZINC000085626082 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H]([C@@]34CCCC[C@@H]3C=Cc3cc(O)c(O)cc34)CC#C[C@@H]2Cc2ccccc2)ccc1O ZINC000085626085 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@H]([C@@]34CCCC[C@@H]3CCc3cc(O)c(O)cc34)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626089 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@H](C3(c4ccc(O)c(O)c4)CCCCC3)CC#C[C@H]2Cc2ccccc2)c(CO)cc1O ZINC000085626092 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@H]([C@@]34CCC[C@@H]3CCc3cc(O)c(O)cc34)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626097 KK Annotated Mild in-vitro biogenic CCNC[C@@H]1CCC[C@@](c2ccc(O)c(O)c2)([C@@H]2CC#C[C@H](Cc3ccccc3)[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H]2O)C1 ZINC000085626103 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H](C3(c4ccc(O)c(O)c4)CCCC3)CC#C[C@H]2Cc2ccccc2)c(CO)cc1O ZINC000085626106 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H]([C@@]34CCC[C@@H]3C=Cc3cc(O)c(O)cc34)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626110 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@@H](c2ccc(O)c(OC)c2)[C@H](Cc2ccccc2)C#C[C@@H]2CN[C@H]3CCCC[C@@]3(c3ccc(O)c(O)c3)[C@@H]2[C@H]1O ZINC000085626119 KK Annotated Mild in-vitro biogenic CNC[C@@H]1CCC[C@@](c2ccc(O)c(O)c2)([C@@H]2CC#C[C@H](Cc3ccccc3)[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H]2O)C1 ZINC000085626123 KK Annotated Mild in-vitro biogenic CCCNC[C@@H]1CCC[C@](c2ccc(O)c(O)c2)([C@@H]2CC#C[C@@H](Cc3ccccc3)[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H]2O)C1 ZINC000085626126 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@H](c2ccc(O)c(OC)c2)[C@@H](Cc2ccccc2)C#CC[C@@H]([C@@]2(c3ccc(O)c(O)c3)CCCC[C@@H]2O)[C@H]1O ZINC000085626130 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@@]3(O)CC[C@H]4CCC[C@@]4(c4ccc(O)c(O)c4)[C@@H]3CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626132 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H]([C@@]3(c4ccc(O)c(O)c4)CCC4(CCCC4)C3)CC#C[C@@H]2Cc2ccccc2)ccc1O ZINC000085626138 KK Annotated Mild in-vitro biogenic COc1cc([C@@H]2CC(=O)C[C@H](O)[C@H](C3(c4ccc(O)c(O)c4)CCCCC3)CC#C[C@@H]2Cc2ccccc2)ccc1O ZINC000085626141 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@H](c2cc(OC)c(O)cc2CO)[C@@H](Cc2ccccc2)C#CC[C@@H](Cc2ccc(O)c(O)c2)[C@H]1O ZINC000085626145 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2CC(=O)C[C@H](O)[C@H](C3(c4ccc(O)c(O)c4)CCCC3)CC#C[C@H]2Cc2ccccc2)ccc1O ZINC000085626148 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@H](c2ccc(O)c(OC)c2)[C@@H](Cc2ccccc2)C#CC[C@@H](C2(c3ccc(O)c(O)c3)CCCCC2)[C@H]1O ZINC000085626157 KK Annotated Mild in-vitro biogenic CCCCC[C@@H]1C(=O)C[C@H](c2ccc(O)c(OC)c2)[C@@H](Cc2ccccc2)C#CC[C@@H](C2(c3ccc(O)c(O)c3)CCCC2)[C@H]1O ZINC000085626163 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@H](c2ccc(O)c(OC)c2)[C@@H](Cc2ccccc2)C#CC[C@@H](Cc2ccc(O)c(O)c2)[C@H]1O ZINC000085626167 KK Annotated Mild in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@]2(c3ccc(O)c(O)c3)CCCC[C@@H]2O)ccc1O ZINC000085626175 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@]23CCCC[C@@H]2C=Cc2cc(O)c(O)cc23)ccc1O ZINC000085626179 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@@]23CCCC[C@@H]2CCc2cc(O)c(O)cc23)ccc1O ZINC000085626183 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)C[C@@]23CCCC[C@@H]2CCc2c3ccc(O)c2O)ccc1O ZINC000085626189 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)c(CO)cc1O ZINC000085626192 KK Annotated Clean in-vitro biogenic CCNC[C@H]1CCC[C@@](C[C@@H](O)CC(=O)C[C@H](CCc2ccccc2)c2ccc(O)c(OC)c2)(c2ccc(O)c(O)c2)C1 ZINC000085626197 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCC2)c(CO)cc1O ZINC000085626200 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@@]2(O)CC[C@@H]3CCCC[C@@]3(c3ccc(O)c(O)c3)C2)ccc1O ZINC000085626207 KK Annotated Clean in-vitro biogenic CNC[C@H]1CCC[C@@](C[C@@H](O)CC(=O)C[C@H](CCc2ccccc2)c2ccc(O)c(OC)c2)(c2ccc(O)c(O)c2)C1 ZINC000085626215 KK Annotated Clean in-vitro biogenic CCCNC[C@H]1CCC[C@@](C[C@@H](O)CC(=O)C[C@H](CCc2ccccc2)c2ccc(O)c(OC)c2)(c2ccc(O)c(O)c2)C1 ZINC000085626220 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCCC2)ccc1O ZINC000085626223 KK Annotated Clean in-vitro biogenic COc1cc([C@H](CCc2ccccc2)CC(=O)C[C@H](O)CC2(c3ccc(O)c(O)c3)CCCC2)ccc1O ZINC000085626230 KK Annotated Clean in-vitro biogenic CCCCC[C@H](C(=O)C[C@H](CCc1ccccc1)c1ccc(O)c(OC)c1)[C@H](O)CC1(c2ccc(O)c(O)c2)CCCCC1 ZINC000085626245 KK Annotated Clean in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC1)CC[C@@H](O)CC(=O)CC2 ZINC000085626320 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@@H](CO4)C3)CCCCC1)CC[C@@H](O)CC(=O)CC2 ZINC000085626358 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](CO4)C3)CCCC1)CC[C@@H](O)CC(=O)CC2 ZINC000085626360 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)O[C@H](O)[C@@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626390 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)O[C@@H](O)[C@@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626401 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)OC[C@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626445 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)OC[C@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626448 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)OC[C@@H]([C@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626459 KK Annotated Reactive in-vitro biogenic CCCCCCNCOc1c2cc(c3c1OC[C@H]([C@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626479 KK Annotated Reactive in-vitro biogenic COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)OC[C@H](CC/N=C(\N)NCC(C)C)C3)CC[C@@H](O)CC(=O)CC2 ZINC000085626535 KK Annotated Mild in-vitro biogenic CCCCCCNCOc1c2cc(c3c1OC[C@H](CC/N=C(\N)NCC(C)C)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626566 KK Annotated Mild in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@@H]1CCO ZINC000085626773 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626778 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2cccc(c2)[C@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)C1 ZINC000085626780 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@@H](O)c2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626784 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000085626786 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000085626792 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000085626794 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@@H](O)c2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]2C(=O)[C@@H]1CCO ZINC000085626796 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626802 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626807 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@H]2C(=O)C1 ZINC000085626809 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@H]2C(=O)[C@H]1CCO ZINC000085626815 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(OC3CCCC3)c(O)c(c2)[C@H](O)c2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@H](O)CCc3cccc(O)c3)[C@H]2C(=O)C1 ZINC000085626818 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)[C@H]1CCO ZINC000085626821 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@H](O)CCc3cccc(O)c3)[C@H]2C(=O)[C@H]1CCO ZINC000085626824 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@H]2C(=O)[C@H]1CCO ZINC000085626827 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626830 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626833 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626835 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](CCCCc3cccc(O)c3)[C@@H]2C(=O)[C@H]1CCO ZINC000085626837 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626841 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626843 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626847 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@H]2C(=O)[C@H]1CCO ZINC000085626848 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@H](CCCCc3cccc(O)c3)[C@@H]2C(=O)[C@H]1CCO ZINC000085626854 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](C[C@]3(O)C=Cc4c(O)cccc4CC3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626855 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]1C(=O)[C@@H](CCO)C(=O)CC2 ZINC000085626859 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)[C@H](O)c1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626863 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]1C(=O)[C@@H](CCO)C(=O)CC2 ZINC000085626867 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2ccc(CCCO)c(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626869 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)[C@@H]2CC[C@H](Nc3ncc[c-]32)C2=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626872 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c3c2CCCO3)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]2C(=O)C1 ZINC000085626876 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c(OC3CCCC3)c2)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626877 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c3c2CCCO3)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626880 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1ccc(CCCO)c(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626884 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1ccc(CCCO)c(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626885 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](C[C@@H]3C=Cc4c(O)cccc4CC3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626889 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](C[C@H](O)CCc3cccc(O)c3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626892 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@H](CCCCc3cccc(O)c3)[C@@H]1C(=O)[C@@H](CCO)C(=O)CC2 ZINC000085626894 KK Annotated Anodyne in-vitro biogenic O=C1CCc2cc(c(O)c3c2CCCO3)Cc2cccc(c2)C[c-]2ccnc2NCC2=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@@H]2C(=O)C1 ZINC000085626897 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1ccc(CCCO)c(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@@H](CCCCc3cccc(O)c3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626902 KK Annotated Anodyne in-vitro biogenic COc1cc2cc(c1O)Cc1cccc(c1)C[c-]1ccnc1NCC1=Cc3nc[cH-]c3[C@H](CCCCc3cccc(O)c3)[C@@H]1C(=O)CC(=O)CC2 ZINC000085626904 KK Annotated Anodyne in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)[C@H]2C(CNc3[cH-]ccn3)=Cc3nc[cH-]c3[C@@H]2CCCCc2cccc(O)c2)cc(OC2CCCC2)c1O ZINC000085626910 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C(CNc3ncc[c-]3Cc3ccc(O)c(O)c3)=Cc3nc[cH-]c3[C@H]2C[C@@H]2C=Cc3c(O)cccc3CC2)ccc1O ZINC000085626925 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C(CNc3ncc[c-]3Cc3ccc(O)c(O)c3)=Cc3nc[cH-]c3[C@H]2C[C@H](O)CCc2cccc(O)c2)ccc1O ZINC000085626929 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)[C@@H](CCO)C(=O)[C@@H]2C(CNc3ncc[c-]3Cc3ccc(O)c(O)c3)=Cc3nc[cH-]c3[C@@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085626932 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C(CNc3ncc[c-]3Cc3ccc(O)c(O)c3)=Cc3nc[cH-]c3[C@@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085626940 KK Annotated Clean in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)[C@H]2C(CNc3[cH-]ccn3)=Cc3nc[cH-]c3[C@@H]2CCCCc2cccc(O)c2)cc(OC)c1O ZINC000085626944 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C(CNc3[cH-]ccn3)=Cc3nc[cH-]c3[C@@H]2C[C@H]2C=Cc3c(O)cccc3CC2)ccc1O ZINC000085626948 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C(CNc3[cH-]ccn3)=Cc3nc[cH-]c3[C@H]2C[C@H](O)CCc2cccc(O)c2)ccc1O ZINC000085626951 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)[C@@H](CCO)C(=O)[C@@H]2C(CNc3[cH-]ccn3)=Cc3nc[cH-]c3[C@@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085626955 KK Annotated Anodyne in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3nc[cH-]c3[C@H]2CCCCc2cccc(O)c2)cc(OC2CCCC2)c1O ZINC000085626979 KK Annotated Clean in-vitro biogenic O=C(CCc1ccc(O)c(OC2CCCC2)c1)CC(=O)[C@@H]1C=Cc2nc[cH-]c2[C@H]1C[C@H]1CCc2cccc(O)c2CC1 ZINC000085626999 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C(CNc3[cH-]ccn3)=Cc3nc[cH-]c3[C@@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085627007 KK Annotated Anodyne in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3nc[cH-]c3[C@H]2CCCCc2cccc(O)c2)cc(OC)c1O ZINC000085627041 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)[C@@H]2C=Cc3nc[cH-]c3[C@H]2C[C@@H]2C=Cc3c(O)cccc3CC2)ccc1O ZINC000085627050 KK Annotated Anodyne in-vitro biogenic O=C(CCCCCCc1cccc(O)c1-c1ccc2cc(O)ccc2c1)CC(=O)CCc1ccc(O)c(OC2CCCC2)c1 ZINC000085627051 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)[C@@H](CCO)C(=O)[C@@H]2C=Cc3nc[cH-]c3[C@H]2CCCCc2cccc(O)c2)ccc1O ZINC000085627061 KK Annotated Anodyne in-vitro biogenic CNCc1cc(CCC(=O)CC(=O)CCCCCCc2cccc(O)c2-c2ccc3cc(O)ccc3c2)cc(OC)c1O ZINC000085627062 KK Annotated Clean in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCC[C@H](O)CCc2cccc(O)c2-c2ccc3cc(O)ccc3c2)ccc1O ZINC000085627072 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)[C@@H](CCO)C(=O)CCCCCCc2cccc(O)c2-c2ccc3cc(O)ccc3c2)ccc1O ZINC000085627074 KK Annotated Anodyne in-vitro biogenic O=C(CCCCCCc1cccc(O)c1-c1ccc2cc(O)ccc2c1)CC(=O)CCc1ccc(O)c2c1CCCO2 ZINC000085627084 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627228 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627232 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627233 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627237 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000085627241 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000085627244 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccccc4)(CC/N=C(\N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O ZINC000085627252 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627259 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000085627263 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627269 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000085627272 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000085627289 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)[C@H]2CCC(C)C ZINC000085627317 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O ZINC000085627324 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@]3(CC1=O)[C@@H](C=C[C@@H]3c1ccccc1)C/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2 ZINC000085627348 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O ZINC000085627352 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@H](CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O ZINC000085627363 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O ZINC000085627367 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC2=O)C[C@@H](N=C(N)N)CSSCCCCCC[C@H](O)C1 ZINC000085627382 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC1=O)C[C@H](N=C(N)N)CSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2 ZINC000085627391 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C(=O)C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@@H]1CCC(C)C ZINC000085627393 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C(=O)C[C@H](C[C@@H](N=C(N)N)CSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@H]1CCC(C)C ZINC000085627398 KK Annotated Reactive in-vitro biogenic CCCCC[C@H]1[C@@H]2CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CCc3cc(c(O)c(OC)c3)CN1C(=O)C2 ZINC000085627400 KK Annotated Reactive in-vitro biogenic CCCCC[C@@H]1[C@H]2CC(=O)N1Cc1cc(cc(OC)c1O)CC[C@@H](OC(C)=O)C[C@@H](O)CCCCCCSSC[C@H](N=C(N)N)C2 ZINC000085627407 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@H](CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O ZINC000085627416 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](N=C(N)N)CSSC[C@H](CCc1ccccc1)CCCC[C@H](O)C[C@H](OC(C)=O)CC2 ZINC000085627430 KK Annotated Reactive in-vitro biogenic COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](N=C(N)N)CSSC1(CCCCC[C@H](O)C[C@H](OC(C)=O)CC2)CCCCC1 ZINC000085627433 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@](CCN=C(N)N)(Cc3ccccc3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627444 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)C[C@H](CCN=C(N)N)[C@H]2CCC(C)C)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627457 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C(=O)C[C@H](CCN=C(N)N)[C@H]2CCCCC)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627469 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@H](C3(CN=C(N)N)CCCC3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627484 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H](CCc1cc(CN2C[C@@H](CCN=C(N)N)CC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCC1CCCCC1 ZINC000085627499 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H](CCc1cc(CN2C[C@H](CCN=C(N)N)CC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCc1ccccc1 ZINC000085627503 KK Annotated Mild in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccnc(N)c3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627523 KK Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccccc3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627530 KK Annotated Clean in-vitro biogenic CCCC[C@@H]1CC[C@](CCc2cc(CN3CCCC3=O)c(O)c(OC3CCCC3)c2)(OC(C)=O)C[C@H]1O ZINC000085627539 KK Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccc(O)cc3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627555 KK Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CCCC2=O)c(O)c2c1CC[C@@H]1CCC[C@@H]1O2)OC(C)=O ZINC000085627595 KK Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CCCC2=O)c(O)c2c1C=C[C@@H]1CCC[C@@H]1O2)OC(C)=O ZINC000085627601 KK Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2CC3(CCCC3)CC2=O)c(O)c(OC2CCCC2)c1)OC(C)=O ZINC000085627606 KK Annotated Clean in-vitro biogenic CC(=O)O[C@@]1(CCc2ccc(O)c(OC3CCCC3)c2)CC[C@H](CCCCCCc2ccccc2)[C@H](O)C1 ZINC000085627631 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCC1CCCCC1 ZINC000085627640 KK Annotated Clean in-vitro biogenic CCCCC[C@H](O)C[C@@H](CCc1cc(CN2C[C@@H](Cc3ccccc3)CC2=O)c(O)c(OC)c1)OC(C)=O ZINC000085627644 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCCO ZINC000085627661 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H](CCc1cc(CN2CCCC2=O)c(O)c(OC2CCCC2)c1)C[C@@H](O)CCCCCCCc1ccccc1 ZINC000085627666 KK Annotated Clean in-vitro biogenic CC[C@@]1(CNC(=N)NC2CCCCC2)C#C[C@H]2CCC[C@H]3C[C@@H](CCN3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628059 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)[C@@]1(CNC(=N)NC)C#C[C@H]2CCC[C@H]3C[C@@H](CCN3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628087 KK Annotated Mild in-vitro biogenic Nc1cc2c(cn1)CO[C@H](C[C@H](O)CCc1ccc(O)c(OC3CCCCC3)c1)CCC[C@H](CCc1ccc(O)cc1)C#C2 ZINC000085628518 KK Annotated Mild in-vitro biogenic C[C@@H]1C#Cc2cc(N)ncc2CO[C@H](C[C@H](O)[C@@H]2CCc3c(ccc(O)c3OC3CCCCC3)C2)CCC1 ZINC000085628521 KK Annotated Mild in-vitro biogenic C[C@@H]1C#Cc2cc(N)ncc2CO[C@H](C[C@H](O)[C@@H]2C=Cc3c(ccc(O)c3OC3CCCCC3)C2)CCC1 ZINC000085628525 KK Annotated Mild in-vitro biogenic C[C@@H]1C#Cc2cc(N)ncc2CO[C@H](C[C@H](O)CCc2cc(OC3CCCCC3)c(O)cc2CO)CCC1 ZINC000085628530 KK Annotated Mild in-vitro biogenic COCNc1cc2c(cn1)CO[C@H](C[C@H](O)CCc1ccc(O)c(OC3CCCCC3)c1)CCC[C@H](C)C#C2 ZINC000085628534 KK Annotated Mild in-vitro biogenic C[C@H]1C#Cc2cc(N)ncc2CO[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CCC12CCCC2 ZINC000085628536 KK Annotated Mild in-vitro biogenic Nc1cc2c(cn1)CO[C@H](C[C@H](O)CCc1ccc(O)c(OC3CCCCC3)c1)CCC[C@H](CCCO)C#C2 ZINC000085628539 KK Annotated Mild in-vitro biogenic CNCc1c(N)ncc2c1C#C[C@H](C)CCC[C@@H](C[C@H](O)CCc1ccc(O)c(OC3CCCCC3)c1)OC2 ZINC000085628542 KK Annotated Mild in-vitro biogenic C[C@H]1C#Cc2cc(N)ncc2CO[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CC[C@@H]1CCCO ZINC000085628550 KK Annotated Mild in-vitro biogenic C[C@H]1C#Cc2cc(N)ncc2C2(CCCCC2)O[C@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)CCC1 ZINC000085628555 KK Annotated Mild in-vitro biogenic CC(C)CC[C@H]1CC[C@@H](C[C@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)OCc2cnc(N)cc2C#C[C@@H]1C ZINC000085628559 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2cc3c(cc2O)OC#CC2(CCCC2)[C@H]2C#C[C@H](O)c4ccc5c6c4[C@@H](CC[C@H]6CN[C@@H]5N)C4=CN=C5C=[N+](C=C45)[C@H]2O3)[C@H](O)C1 ZINC000085628570 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@@H]2[C@@H](C#C[C@@H](O)c4ccc5c6c4[C@H](C=C[C@H]6CN[C@H]5N)C4=CN=C5C=[N+]2C=C45)C2(C#CO3)CCCC2)[C@H](O)C1 ZINC000085628589 KK Annotated Mild in-vitro biogenic C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@H]2[C@H](C#C[C@H](O)c4ccc5c6c4[C@@H](CC[C@H]6CN[C@H]5N)C4=CN=C5C=[N+]2C=C45)C2(C#CO3)CCCC2)[C@@H](O)C1 ZINC000085628596 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c(c1)O[C@H]1[C@@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)CCN[C@@H]4N)C1(C#CO2)CCCC1)[C@H](O)[C@H]1C=C[C@@H](C)C[C@H]1O ZINC000085628623 KK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5C=[N+](C=C25)[C@@H](O4)[C@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 ZINC000085628632 KK Annotated Reactive in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@@H]2[C@@H](C#C[C@@H](O)c4ccc5c6c4[C@H](C=C[C@H]6CN[C@H]5N)C4=CN=C5C=[N+]2C=C45)C2(C#CO3)CCCC2)CC1 ZINC000085628637 KK Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@@H]1C#C[C@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+](C=C34)[C@@H]1O2 ZINC000085628644 KK Annotated Mild in-vitro biogenic C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c(c2)O[C@H]2[C@@H](C#C[C@H](O)c4ccc5c(c4CC4=CN=C6C=[N+]2C=C46)CCN[C@H]5N)C2(C#CO3)CCCC2)CC1 ZINC000085628648 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@@H]1C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+](C=C35)[C@H]1O2)CCN[C@H]4N)[C@H](O)C[C@H](O)CCC ZINC000085628659 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1cc2c(cc1O)OC#CC1(CCCC1)[C@@H]1C#C[C@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+](C=C34)[C@@H]1O2)[C@H](O)C[C@H](O)CCC ZINC000085628669 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c(c1)O[C@H]1[C@@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)CCN[C@H]4N)C1(C#CO2)CCCC1)[C@H](O)[C@H]1C=C[C@H](C)CC1 ZINC000085628678 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1 ZINC000085628686 KK Annotated Reactive in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc2c(c1)O[C@@H]1[C@@H](C#C[C@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1)[C@H](O)C[C@H](O)CCC ZINC000085628688 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)CCN[C@@H]4N)C1(C#CO2)CCCC1 ZINC000085628697 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@@H]1[C@@H](C#C[C@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1 ZINC000085628708 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@@H]1[C@@H](C#C[C@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1 ZINC000085628715 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc2c(c1)O[C@H]1[C@@H](C#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]1C=C35)CCN[C@H]4N)C1(C#CO2)CCCC1 ZINC000085628718 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc2c(c1)O[C@@H]1[C@@H](C#C[C@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]1C=C34)C1(C#CO2)CCCC1 ZINC000085628731 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+]1C=C34)CC#CO2 ZINC000085628807 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc2c(c1)O[C@H]1[C@H](C#C[C@@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]1C=C34)CC#CO2 ZINC000085628812 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CC#C[C@H](O)c3ccc([C@H](N)NCCc4ccccc4)cc3CC3=CN=C4C=[N+]2C=C34)c1 ZINC000085628830 KK Annotated Mild in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(O[C@@H]2CC#C[C@H](O)c3ccc4c(c3CC3=CN=C5C=[N+]2C=C35)CCN[C@H]4N)c1 ZINC000085628852 KK Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@]45CCC[C@@H]4c4cccc6c4-c4c(cccc45)[C@H](N)N6)C3=C2)c1 ZINC000085628858 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(O[C@H]2CC#C[C@H](O)c3ccc(C(N)N)cc3CC3=CN=C4C=[N+]2C=C34)c1 ZINC000085628879 KK Annotated Mild in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@]4(c5cccc(C(N)N)c5)CCC5(CCCC5)C4)C3=C2)c1 ZINC000085628889 KK Annotated Anodyne in-vitro biogenic NC(N)c1cccc(C2(C3=CN=C4C=[N+](COc5cc(CCC(=O)C[C@H](O)C[C@H](O)CCC6CCCCC6)ccc5O)C=C34)CCCC2)c1 ZINC000085628894 KK Annotated Anodyne in-vitro biogenic CCC[C@H](O)C[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(C4(c5cccc([C@H](N)NCCc6ccccc6)c5)CCCC4)C3=C2)c1 ZINC000085628918 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]45CCC[C@@H]4C[C@H]4CN[C@H](N)c6cccc5c64)C3=C2)c1 ZINC000085628925 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]45CCC[C@@H]4c4cccc6c4-c4c(cccc45)[C@H](N)N6)C3=C2)c1 ZINC000085628930 KK Annotated Anodyne in-vitro biogenic CCCCC[C@H](C(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(C4(c5cccc(C(N)N)c5)CCCC4)C3=C2)c1)[C@H](O)C[C@H](O)CCC ZINC000085628972 KK Annotated Anodyne in-vitro biogenic NC(N)c1cccc(C2(C3=CN=C4C=[N+](COc5cc(CCC(=O)C[C@H](O)CCCCC6CCCCC6)ccc5O)C=C34)CCCC2)c1 ZINC000085628987 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C([C@@]4(c5cccc(C(N)N)c5)CCC5(CCCC5)C4)C3=C2)c1 ZINC000085628996 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(C4(c5cccc(C(N)N)c5)CCCC4)C3=C2)c1 ZINC000085629011 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(C4(c5cccc([C@H](N)NCCc6ccccc6)c5)CCCC4)C3=C2)c1 ZINC000085629014 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cc([C@H](N)NCCc5ccccc5)ccc4CO)C3=C2)c1 ZINC000085629024 KK Annotated Anodyne in-vitro biogenic NC(N)c1cccc(CC2=CN=C3C=[N+](COc4cc(CCC(=O)C[C@H](O)CCCCC5CCCCC5)ccc4O)C=C23)c1 ZINC000085629036 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cc(C(N)N)ccc4CO)C3=C2)c1 ZINC000085629045 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(C4(c5cccc(C(N)N)c5)CCCC4)C3=C2)c1 ZINC000085629053 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cccc([C@H](N)NCCc5ccccc5)c4)C3=C2)c1 ZINC000085629065 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)[C@@H](CCCCC)C(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(Cc4cccc(C(N)N)c4)C3=C2)c1 ZINC000085629078 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(O[C@@H]2CC3(CCCC3)CC[C@H]2Cc2ccccc2)c1 ZINC000085629109 KK Annotated Anodyne in-vitro biogenic CC(C)CCC1=[N+](COc2cc(CCC(=O)C[C@H](O)CCCCC3CCCCC3)ccc2O)C=C2N=CC=C21 ZINC000085629141 KK Annotated Anodyne in-vitro biogenic CC(C)CCC1=[N+](COc2cc(CCC(=O)C[C@H](O)CCCC3(C)CCCC3)ccc2O)C=C2N=CC=C21 ZINC000085629144 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC[N+]2=CC3=NC=C(CCc4ccccc4)C3=C2)c1 ZINC000085629182 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@@H]1C[C@@H](CO)[C@@H](O)[C@H]2C[C@@H](C1)[C@H](C(C)C)C[C@@H]2Cc1c[cH-]cn1 ZINC000085629274 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@@H]([C@@H](Cc4c[cH-]cn4)C[C@H]3C(C)C)[C@@H](O)[C@@H](CO)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629278 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@H]1C[C@@H]2C[C@@H]3[C@@H](CC[C@@H](c4c[cH-]cn4)[C@@H]3C[C@@H]2C(C)C)[C@H](CO)C1 ZINC000085629281 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@@H]4[C@@H](CC[C@@H](c5c[cH-]cn5)[C@@H]4C[C@H]3C(C)C)[C@@H](CO)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629284 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@@H]1C[C@H](CO)C[C@H]2C[C@H](C1)[C@@H](C(C)C)C[C@@H]2Cc1c[cH-]cn1 ZINC000085629289 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@H](CO)C[C@H]3C[C@H](C2)[C@@H](C(C)C)C[C@@H]3Cc2c[cH-]cn2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629291 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@H]4[C@H](C=C[C@@H](OC)C[C@H]4[C@@H](O)C2)C[C@H]3C(C)C)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629294 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@H](O)[C@H]3C[C@@H](OC)CC[C@@H]4C[C@H](C(C)C)[C@@H](C[C@H]34)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629297 KK Annotated Anodyne in-vitro biogenic COCC[C@H]1[C@H]2CC[C@H](C(C)C)[C@H](C2)C[C@@H]([C@@H](C[C@@H](CCc2cc(OCCO)c(O)cc2-c2ccnc(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629301 KK Annotated Anodyne in-vitro biogenic COCC[C@H]1[C@H]2CC[C@H](C(C)C)[C@H](C2)C[C@@H]([C@@H](C[C@@H](CCc2cc(OC)c(O)cc2-c2ccnc(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629306 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@@H]1C[C@@H]2C[C@H](CC[C@@H]2C(C)C)C[C@@H](CO)C1 ZINC000085629311 KK Annotated Anodyne in-vitro biogenic COCC[C@H]1CC[C@@H](CC(C)C)C[C@H]([C@@H](C[C@@H](CCc2cc(OCCO)c(O)cc2-c2ccnc(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629314 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@@H]3C[C@H](CC[C@@H]3C(C)C)C[C@@H](CO)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629318 KK Annotated Anodyne in-vitro biogenic COCC[C@H]1CC[C@@H](CC(C)C)C[C@H]([C@@H](C[C@@H](CCc2cc(OC)c(O)cc2-c2ccnc(N)c2)OC(C)=O)OC(C)=O)C[C@H]1O ZINC000085629320 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@H]1C[C@@H](CO)CCC[C@@H](CC(C)C)C1 ZINC000085629326 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@H](CO)CCC[C@H](CC(C)C)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629336 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2C[C@@H]3C[C@@H](CC[C@@H]3C(C)C)C[C@@H](O)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629344 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H](CCc1cc(OCCO)c(O)cc1-c1ccnc(N)c1)C[C@@H](OC(C)=O)[C@H]1C[C@H](O)CCC[C@H](CC(C)C)C1 ZINC000085629348 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C[C@H](O)CCC[C@H](CC(C)C)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629354 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CCC[C@@H]3CC[C@H](C(C)C)[C@@H](C3)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629367 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2CCCCC[C@@H](CC(C)C)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629388 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@H]2CCCCC[C@@H](CCO)C2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629395 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@H](CC2CCC(Cc3ccccc3)CC2)OC(C)=O)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629403 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@H](CC[C@H](CO)CCCc2ccccc2)OC(C)=O)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629412 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2CC[C@@H]3CCC[C@H]2C3)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629420 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629421 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)[C@@H]2C=C[C@@H]3CCC[C@H]2C3)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629423 KK Annotated Anodyne in-vitro biogenic CC[C@H](CO)CC[C@@H](C[C@@H](CCc1cc(OC2CCCCC2)c(O)cc1-c1ccnc(N)c1)OC(C)=O)OC(C)=O ZINC000085629425 KK Annotated Anodyne in-vitro biogenic CC[C@H](CO)CC[C@@H](C[C@@H](CCc1cc(OC2CCCC2)c(O)cc1-c1ccnc(N)c1)OC(C)=O)OC(C)=O ZINC000085629427 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](CC1CCCCC1)C[C@@H](CCc1cc(OC2CCCCC2)c(O)cc1-c1ccnc(N)c1)OC(C)=O ZINC000085629434 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H](CC1CCCCC1)C[C@@H](CCc1cc(OC2CCCC2)c(O)cc1-c1ccnc(N)c1)OC(C)=O ZINC000085629440 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)cc(Cc2ccnc(N)c2)c1O ZINC000085629454 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@H](CCCCCCc2ccccc2)OC(C)=O)OC(C)=O)c(-c2ccnc(N)c2)cc1O ZINC000085629458 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(OC)c(O)c2c1CSSCNc1cc(ccn1)C2)OC(C)=O)OC(C)=O ZINC000085629467 KK Annotated Reactive in-vitro biogenic COc1cc(CC[C@H](C[C@H](CC2CCCCC2)OC(C)=O)OC(C)=O)cc(Cc2ccnc(N)c2)c1O ZINC000085629476 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(OC2CCCCC2)c(O)cc1-c1ccnc(N)c1)OC(C)=O)OC(C)=O ZINC000085629484 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@H](CCCCCCc2ccccc2)OC(C)=O)OC(C)=O)cc(Cc2ccnc(N)c2)c1O ZINC000085629487 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(OC2CCCC2)c(O)cc1-c1ccnc(N)c1)OC(C)=O)OC(C)=O ZINC000085629494 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)cc(Cc2ccc(O)cc2)c1O ZINC000085629509 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](C[C@@H](OC(C)=O)C2CCCCCCC2)OC(C)=O)cc(Cc2ccccc2)c1O ZINC000085629513 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(N)c2)c(O)c(OC2CCCCC2)c1)OC(C)=O)OC(C)=O ZINC000085629516 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H](C[C@@H](CCc1cc(Cc2ccnc(N)c2)c(O)c(OC2CCCC2)c1)OC(C)=O)OC(C)=O ZINC000085629521 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@@H]2O)C3 ZINC000085629577 KK Annotated Reactive in-vitro biogenic CCCC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2 ZINC000085629580 KK Annotated Reactive in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)[C@@H]1CC[C@H](CO)c2ccccc2C1 ZINC000085629603 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)[C@H](O)Cc1ccccc1CCO ZINC000085629609 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCC[C@@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CC[C@H](O)C1 ZINC000085629613 KK Annotated Mild in-vitro biogenic CCC[C@H]1CC[C@H]2C[C@]1(/C=C/C(=O)CCc1ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c1)C[C@H]2O ZINC000085629618 KK Annotated Mild in-vitro biogenic CC1(CC[C@@]2(/C=C/C(=O)CCc3ccc(O)c(OCCc4ccc(O)c([C@H]5CC(=O)[c-]6ccnc6CC#Cc6cc(C(N)N)ccc65)c4)c3)CC[C@H](O)C2)CCCC1 ZINC000085629621 KK Annotated Mild in-vitro biogenic C[C@H](CCc1ccccc1)CC[C@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CC[C@H](O)C1 ZINC000085629624 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CC[C@@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CC[C@H](O)C1 ZINC000085629627 KK Annotated Mild in-vitro biogenic CCCC[C@@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CC[C@H](O)C1 ZINC000085629629 KK Annotated Mild in-vitro biogenic CCCC[C@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc6c(cc54)CCN[C@@H]6N)c3)c2)CC[C@H](O)C1 ZINC000085629636 KK Annotated Mild in-vitro biogenic CNCCCCC[C@@]1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CC[C@@H](O)C1 ZINC000085629639 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1ccccc1CCO ZINC000085629643 KK Annotated Mild in-vitro biogenic NC(N)c1ccc2c(c1)C#CCc1ncc[c-]1C(=O)C[C@H]2c1cc(CCOc2cc(CCC(=O)/C=C/CCCCC[C@H](O)CO)ccc2O)ccc1O ZINC000085629645 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)CCN[C@@H]5N)c2)c1)CCc1ccccc1CCO ZINC000085629650 KK Annotated Mild in-vitro biogenic C[C@H](O)CN[C@H](Cc1ccccc1)[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1 ZINC000085629653 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)[C@H](O)Cc1ccccc1 ZINC000085629656 KK Annotated Mild in-vitro biogenic CNCC[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1ccccc1CCO ZINC000085629659 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CCCC1 ZINC000085629660 KK Annotated Mild in-vitro biogenic C[C@H](O)C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1ccccc1 ZINC000085629663 KK Annotated Mild in-vitro biogenic CCC[C@@H]1CC[C@H]2CC[C@]1(/C=C/C(=O)CCc1ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c1)C2 ZINC000085629667 KK Annotated Mild in-vitro biogenic CC1(CCC2(/C=C/C(=O)CCc3ccc(O)c(OCCc4ccc(O)c([C@@H]5CC(=O)[c-]6ccnc6CC#Cc6cc(C(N)N)ccc65)c4)c3)CCCC2)CCCC1 ZINC000085629671 KK Annotated Mild in-vitro biogenic C[C@H](CCc1ccccc1)CCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CCCC1 ZINC000085629677 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1 ZINC000085629680 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)CCN[C@@H]5N)c2)c1 ZINC000085629686 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)C[C@H](C)O ZINC000085629687 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CCCC1 ZINC000085629690 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc6c(cc54)CCN[C@H]6N)c3)c2)CCCC1 ZINC000085629695 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CCCC1 ZINC000085629698 KK Annotated Mild in-vitro biogenic CNCCCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)ccc54)c3)c2)CCCC1 ZINC000085629702 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1ccccc1 ZINC000085629705 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)CCN[C@@H]5N)c2)c1)CCc1ccccc1 ZINC000085629713 KK Annotated Mild in-vitro biogenic CNCC[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1)CCc1ccccc1 ZINC000085629716 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3c4ccc(C(N)N)cc4[C@@H](CO)C[C@@H]3C(=O)[c-]3ccnc3)c2)c1 ZINC000085629719 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1 ZINC000085629722 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1 ZINC000085629725 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc5c(cc43)CCN[C@H]5N)c2)c1 ZINC000085629729 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)ccc43)c2)c1 ZINC000085629732 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3c4ccc(C(N)N)cc4CC[C@H]3C(=O)[c-]3ccnc3)c2)c1 ZINC000085629733 KK Annotated Mild in-vitro biogenic NC(N)c1ccc([C@H](CC(=O)[c-]2ccnc2)c2cc(CCOc3cc(CCC(=O)/C=C/CCCCC[C@H](O)CO)ccc3O)ccc2O)cc1 ZINC000085629735 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H]4c5ccc(C(N)N)cc5CC[C@H]4C(=O)[c-]4ccnc4)c3)c2)CCCC1 ZINC000085629741 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3c4ccc(C(N)N)cc4CC[C@@H]3C(=O)[c-]3ccnc3)c2)c1)CCc1ccccc1 ZINC000085629746 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H](CC(=O)[c-]4ccnc4)c4ccc(C(N)N)cc4)c3)c2)CCCC1 ZINC000085629749 KK Annotated Mild in-vitro biogenic C[C@H](O)C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1)CCc1ccccc1 ZINC000085629752 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@@H]3c4ccc(C(N)N)cc4CC[C@H]3C(=O)[c-]3ccnc3)c2)c1 ZINC000085629755 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3c4ccc(C(N)N)cc4CC[C@@H]3C(=O)[c-]3ccnc3)c2)c1 ZINC000085629763 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3c4cc5c(cc4CC[C@H]3C(=O)[c-]3ccnc3)[C@H](N)NCC5)c2)c1 ZINC000085629766 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H]3c4ccc(C(N)N)cc4CC[C@H]3C(=O)[c-]3ccnc3)c2)c1 ZINC000085629768 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1 ZINC000085629771 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc4c(c3)CCN[C@H]4N)c2)c1 ZINC000085629776 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1)C[C@H](C)O ZINC000085629782 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c([C@H](CC(=O)[c-]4ccnc4)c4ccc(C(N)N)cc4)c3)c2)CCCC1 ZINC000085629785 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2-c2ccc(O)cc2)c1 ZINC000085629788 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1)CCc1ccccc1 ZINC000085629793 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c(Cc4ccc(C(N)N)cc4)c3-c3ccc(O)cc3)c2)CCCC1 ZINC000085629795 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2-c2ccc(O)cc2)c1)CCc1ccccc1 ZINC000085629812 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1 ZINC000085629816 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1 ZINC000085629818 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc4c(c3)CCN[C@H]4N)c2)c1 ZINC000085629826 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CC(=O)[c-]3ccnc3)c3ccc(C(N)N)cc3)c2)c1 ZINC000085629829 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2-c2ccc(O)cc2)c1 ZINC000085629832 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2-c2ccc(O)cc2)c1 ZINC000085629836 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc4c(c3)CCN[C@H]4N)c2-c2ccc(O)cc2)c1 ZINC000085629843 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2-c2ccc(O)cc2)c1 ZINC000085629849 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)cc3-c3cc(CO)c4c(c3)=C[CH+]N=4)c2)CCCC1 ZINC000085629860 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc(CO)c3c(c2)=C[CH+]N=3)c1)CCc1ccccc1 ZINC000085629866 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc(CO)c3c(c2)=C[CH+]N=3)c1 ZINC000085629867 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc(CO)c3c(c2)=C[CH+]N=3)c1 ZINC000085629871 KK Annotated Mild in-vitro biogenic CCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc(CO)c3c(c2)=C[CH+]N=3)c1)CCC(C)C ZINC000085629878 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc3c(c2)=C[CH+]N=3)c1 ZINC000085629880 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)cc3-c3ccc4c(c3)=C[CH+]N=4)c2)CCCC1 ZINC000085629885 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2cc3c(cc2CC(C)C)=N[CH+]C=3)c1 ZINC000085629887 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)[C@H](Cc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1)c1ccc2ccc(O)cc2c1 ZINC000085629891 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc3c(c2)=C[CH+]N=3)c1)CCc1ccccc1 ZINC000085629896 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc3c(c2)=C[CH+]N=3)c1 ZINC000085629903 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3CCCOC)c2)c1 ZINC000085629907 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc3c(c2)=C[CH+]N=3)c1 ZINC000085629912 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c([C@H](CCCOC)c3ccc(C(N)N)cc3)c2)c1 ZINC000085629915 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2)c1 ZINC000085629918 KK Annotated Mild in-vitro biogenic C[C@H](O)CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1 ZINC000085629921 KK Annotated Mild in-vitro biogenic CCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc3c(c2)=C[CH+]N=3)c1)CCC(C)C ZINC000085629927 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)cc3-c3ccc(O)cc3)c2)CCCC1 ZINC000085629929 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2CC(C)C)c1 ZINC000085629940 KK Annotated Mild in-vitro biogenic CCCCC1(/C=C/C(=O)CCc2ccc(O)c(OCCc3ccc(O)c(Cc4ccc(C(N)N)cc4)c3)c2)CCCC1 ZINC000085629946 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2)c1)CCc1ccccc1 ZINC000085629952 KK Annotated Mild in-vitro biogenic C[C@H](CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1)CCc1ccccc1 ZINC000085629958 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2)c1 ZINC000085629962 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2)c1 ZINC000085629967 KK Annotated Mild in-vitro biogenic CCCCC[C@H](C)CCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1 ZINC000085629973 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc4c(c3)CCN[C@@H]4N)c2)c1 ZINC000085629982 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)c(Cc3ccc(C(N)N)cc3)c2)c1 ZINC000085629986 KK Annotated Mild in-vitro biogenic CNCCCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1 ZINC000085629989 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2CCCO)c1 ZINC000085629993 KK Annotated Mild in-vitro biogenic CCCC[C@H](/C=C/C(=O)CCc1ccc(O)c(OCCc2ccc(O)cc2-c2ccc(O)cc2)c1)CCC(C)C ZINC000085629998 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)[C@H](Cc1ccc(O)c(OC)c1)c1cc(-c2ccc(N)nc2)c2ccc(O)cc2c1 ZINC000085630002 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)[C@H](Cc1ccc(O)c(OCCc2ccc(O)cc2)c1)c1ccc2ccc(O)cc2c1 ZINC000085630010 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C(=O)[C@H](Cc1ccc(O)c(OC)c1)c1ccc2c(CCCN=C(N)N)cc(O)cc2c1 ZINC000085630025 KK Annotated Mild in-vitro biogenic COc1cc(C[C@H](C(=O)/C=C/CCC[C@H](C)CCc2ccccc2)c2ccc3ccc(O)cc3c2)ccc1O ZINC000085630104 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C(=C/C(=O)CC(=O)CCCCC[C@H]2[C@H]3CCNC[C@@H]3C[C@@H]3C=CCN[C@H]23)CO)cn1 ZINC000085630158 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCCC[C@@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@H]32)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630166 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@H](CCCO)C[C@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@@H]23)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630173 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCC2(C[C@@H]3[C@H]4CCNC[C@H]4C[C@@H]4C=CCN[C@H]43)CCCC2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630180 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C=C/C(=O)CC(=O)CCCCC[C@H]2[C@H]3CCNC[C@H]3C[C@@H]3C=CCN[C@@H]23)cn1 ZINC000085630191 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCC[C@H]2[C@@H]3NCC=C[C@H]3C[C@H]3CNCC[C@H]32)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630195 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCCC[C@H]2[C@@H]3NCCCC3=C[C@H]3CNCC[C@@H]32)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630199 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCCC[C@@H]2[C@@H]3NCC=CC3=C[C@H]3CNCC[C@H]32)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630205 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@H](CCCO)C[C@@H]2[C@@H]3NCCCC3=C[C@H]3CNCC[C@H]32)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630212 KK Annotated Mild in-vitro biogenic CN[C@@H]1C=C[C@@H]2CNCC[C@H]2[C@H]1C[C@H](CCCO)CCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630217 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCC2(C[C@H]3[C@@H]4NCCCC4=C[C@H]4CNCC[C@@H]43)CCCC2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630224 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C=C/C(=O)CC(=O)CCCCC[C@@H]2[C@@H]3NCCCC3=C[C@H]3CNCC[C@@H]32)cn1 ZINC000085630236 KK Annotated Mild in-vitro biogenic CN[C@@H]1C=C[C@@H]2CNCC[C@@H]2[C@H]1CC1(CCCC(=O)CC(=O)/C=C(\CO)c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630243 KK Annotated Mild in-vitro biogenic CN[C@H]1C=C[C@@H]2CNCC[C@H]2[C@@H]1CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630261 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCC[C@@H]2[C@@H]3NCCCC3=C[C@H]3CNCC[C@@H]32)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630267 KK Annotated Mild in-vitro biogenic CN[C@H]1C=C[C@@H]2CNCC[C@H]2[C@@H]1CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630271 KK Annotated Mild in-vitro biogenic CN[C@@H]1CC[C@@H]2CNCC[C@@H]2[C@H]1CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630282 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCC[C@H]2[C@@H]3NCC=CC3=C[C@H]3CNCC[C@H]32)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630288 KK Annotated Mild in-vitro biogenic CNC[C@H](C[C@H](CCCO)CCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)C1CCNCC1 ZINC000085630292 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)C1CCNCC1 ZINC000085630298 KK Annotated Mild in-vitro biogenic CNC[C@H](CC1(CCCC(=O)CC(=O)/C=C(\CO)c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1)C1CCNCC1 ZINC000085630302 KK Annotated Mild in-vitro biogenic CN[C@H]1C=C[C@@H]2CNCC[C@H]2[C@@H]1C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630307 KK Annotated Mild in-vitro biogenic CN[C@@H]1CC[C@@H]2CNCC[C@@H]2[C@@H]1C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630312 KK Annotated Mild in-vitro biogenic CN[C@H]1C=C[C@@H]2CNCC[C@H]2[C@@H]1CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630316 KK Annotated Mild in-vitro biogenic CN[C@@H]1CC[C@@H]2CNCC[C@@H]2[C@H]1CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630320 KK Annotated Mild in-vitro biogenic CN[C@H]1C=C[C@@H]2CNCC[C@@H]2[C@H]1CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630323 KK Annotated Mild in-vitro biogenic CN[C@@H]1CC[C@@H]2CNCC[C@@H]2[C@H]1CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630328 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)C1CCNCC1 ZINC000085630335 KK Annotated Mild in-vitro biogenic CN[C@@H]1C=C[C@@H]2CNCC[C@H]2[C@H]1CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630339 KK Annotated Mild in-vitro biogenic CN[C@@H]1CC[C@@H]2CNCC[C@@H]2[C@H]1CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630344 KK Annotated Mild in-vitro biogenic CNC[C@H]1CC=C[C@@H](CCO)[C@H](CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)C1 ZINC000085630347 KK Annotated Mild in-vitro biogenic CNC[C@H](C)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630351 KK Annotated Mild in-vitro biogenic CNC[C@H](C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)C1CCNCC1 ZINC000085630354 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630359 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)C1CCNCC1 ZINC000085630362 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CC1(CCCC(=O)CC(=O)/C=C(\CO)c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630366 KK Annotated Mild in-vitro biogenic CNC[C@H](CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1)C1CCNCC1 ZINC000085630374 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630381 KK Annotated Mild in-vitro biogenic CNC1([C@H](C)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630386 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)C1CCNCC1 ZINC000085630391 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)CCc1ccccc1 ZINC000085630396 KK Annotated Mild in-vitro biogenic CNC[C@H](C)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630401 KK Annotated Mild in-vitro biogenic CNC[C@H](C)C[C@H](CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)CCC1(O)CCCCC1 ZINC000085630404 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)CCCC(C)C ZINC000085630410 KK Annotated Mild in-vitro biogenic CNC[C@H](C)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630415 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630420 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630424 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCCCCC2CCNCC2)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630428 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCO)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630433 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630436 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)CCc1ccccc1 ZINC000085630440 KK Annotated Mild in-vitro biogenic CCC[C@H](CCCO)CCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630443 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCC[C@H](CCCO)CCC2CCNCC2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630447 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630452 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCC2(CCC3CCNCC3)CCCC2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630457 KK Annotated Mild in-vitro biogenic CCCC1(CCCC(=O)CC(=O)/C=C(\CO)c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630467 KK Annotated Mild in-vitro biogenic Nc1cc(CCc2cccc(CCc3ccccc3)c2)c(Cc2cc(O)c(OCO)cc2/C=C/C(=O)CC(=O)CCCCCCC2CCNCC2)cn1 ZINC000085630473 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1)CCCC(C)C ZINC000085630476 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630481 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCC2CCNCC2)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630484 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCCCCCCc2ccccc2)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630488 KK Annotated Mild in-vitro biogenic COc1cc(/C(=C/C(=O)CC(=O)CCCCCCCCCC(C)C)CO)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630491 KK Annotated Mild in-vitro biogenic CCC[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCc2ccccc2)c1 ZINC000085630494 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630498 KK Annotated Mild in-vitro biogenic CCCC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)CCCC1 ZINC000085630502 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2CCOC)c1 ZINC000085630510 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1)C1CCNCC1 ZINC000085630513 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc2c(c1)[C@@H](c1cc(C)cc(C)c1)CCN2 ZINC000085630518 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1cccc(CCCO)c1 ZINC000085630522 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085630525 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1)C1CCNCC1 ZINC000085630532 KK Annotated Mild in-vitro biogenic CNCc1c(C)cc(C)cc1Cc1cc(Cc2cc(O)c(OC)cc2/C=C/C(=O)CC(=O)CCCCC[C@@H](C)CNC)cnc1N ZINC000085630535 KK Annotated Mild in-vitro biogenic CNC[C@H](C)C[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630545 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630554 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(Cc3cc(C)cc(C)c3)c2)CCCC1 ZINC000085630558 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2ccccc2)CCCC1 ZINC000085630565 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085630570 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCCCCC(C)C)c(Cc2cnc(N)cc2CCc2cccc(CCc3ccccc3)c2)cc1O ZINC000085630573 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630575 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085630579 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1)CCc1ccccc1 ZINC000085630582 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1)CCc1ccccc1 ZINC000085630586 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1)CCCC(C)C ZINC000085630592 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1)CCCC(C)C ZINC000085630593 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2ccccc2)c1 ZINC000085630596 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2CCOC)c1 ZINC000085630599 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630602 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCC2CCNCC2)c(Cc2cnc(N)c(Cc3cc(C)cc(C)c3)c2)cc1O ZINC000085630603 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C(\CO)c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085630605 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc2c(c1)[C@H](c1cc(C)cc(C)c1)CCN2 ZINC000085630609 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCC2CCNCC2)c(Cc2cnc(N)cc2CCc2ccccc2)cc1O ZINC000085630615 KK Annotated Mild in-vitro biogenic CCC[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630625 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630629 KK Annotated Mild in-vitro biogenic CCCC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(Cc3cc(C)cc(C)c3)c2)CCCC1 ZINC000085630631 KK Annotated Mild in-vitro biogenic CCCC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)cc2CCc2ccccc2)CCCC1 ZINC000085630640 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OCO)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085630645 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CC1(CCCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2ccc(N)nc2)CCCC1 ZINC000085630650 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2cc(C)cc(C)c2)c1 ZINC000085630659 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)cc1CCc1ccccc1 ZINC000085630662 KK Annotated Mild in-vitro biogenic CNC[C@H](C)CCCCCC(=O)CC(=O)/C=C/c1cc(Cc2ccc3ccccc3c2)c(O)c(OC)c1 ZINC000085630678 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCCCCC(C)C)c(Cc2cnc(N)c(Cc3cc(C)cc(C)c3)c2)cc1O ZINC000085630684 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCCCCC(C)C)c(Cc2cnc(N)cc2CCc2ccccc2)cc1O ZINC000085630687 KK Annotated Mild in-vitro biogenic CNC[C@H](CCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1ccc(N)nc1)CCCC(C)C ZINC000085630690 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)/C=C/c1cc(OC)c(O)cc1Cc1cnc(N)c(Cc2ccccc2)c1 ZINC000085630694 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCC2CCNCC2)cc(Cc2ccc3ccccc3c2)c1O ZINC000085630707 KK Annotated Mild in-vitro biogenic CCC[C@H](CCCO)CCCC(=O)CC(=O)/C=C/c1cc(Cc2ccc3ccccc3c2)c(O)c(OC)c1 ZINC000085630735 KK Annotated Mild in-vitro biogenic CCCC1(CCCC(=O)CC(=O)/C=C/c2cc(Cc3ccc4ccccc4c3)c(O)c(OC)c2)CCCC1 ZINC000085630744 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCCCc2ccccc2)cc(Cc2ccc3ccccc3c2)c1O ZINC000085630767 KK Annotated Mild in-vitro biogenic COc1cc(/C=C/C(=O)CC(=O)CCCCCCCCCC(C)C)cc(Cc2ccc3ccccc3c2)c1O ZINC000085630792 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](C[C@H](O)[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@]1(CC[C@@H](CC[C@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630840 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](C[C@H](O)CC[C@H]1C#C[C@@]2(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21)c1ccc2ccccc2c1 ZINC000085630843 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630852 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@@]1(CC[C@@H](CC3([C@@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000085630861 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@]1(CC[C@@H](CC3([C@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000085630874 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](/C=C/c1ccccc1)C[C@H](O)CC[C@H]1C#C[C@@]2(CC[C@@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21 ZINC000085630879 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@@]1(CC[C@H]([C@H]3CC[C@H]4[C@H](CN[C@@H]5CC(=O)CC[C@H]45)C3)C[C@H]1O)C(=O)CC2 ZINC000085630883 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085630889 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](C[C@H](O)[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630893 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CC[C@H]1CC[C@H]3[C@H](CN[C@@H]4CC(=O)CC[C@H]34)C1)C(=O)CC2 ZINC000085630895 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@]1(CC[C@@H](C[C@H](CCCO)[C@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630899 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCC[C@H](CCCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630907 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](C[C@H](O)CC[C@@H]1C#C[C@H]([C@H](O)CCCC[C@@H]2CN[C@@H]3CC(=O)CC[C@@H]3C2)C(=O)CCc2cc(OC)c(O)cc21)c1ccc2ccccc2c1 ZINC000085630911 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@]1(CC[C@H](C[C@H](CCO)[C@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630916 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@@]1(CC[C@H](CC[C@@H]3C[C@@H]4CCC(=O)C[C@H]4NC34CCCCC4)C[C@H]1O)C(=O)CC2 ZINC000085630920 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630923 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@@]1(CC[C@H](CC[C@@H]3C[C@@H]4CCC(=O)C[C@H]4NC34CCCCC4)C[C@H]1O)C(=O)CC2 ZINC000085630927 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCC[C@H](CCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630930 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630933 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085630938 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](c1ccnc(N)c1)c1ccc3ccccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630941 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)[C@H](CCC(C)C)Cc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085630944 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](C[C@H](O)[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630949 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085630953 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085630970 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1[C@H](/C=C/c1ccccc1)C[C@H](O)CC[C@@H]1C#C[C@H]([C@H](O)CCCC[C@@H]2CN[C@@H]3CC(=O)CC[C@@H]3C2)C(=O)CCc2cc(OC)c(O)cc21 ZINC000085630976 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CC[C@H]1CC[C@H]3[C@H](CN[C@@H]4CC(=O)CC[C@H]34)C1)C(=O)CC2 ZINC000085630983 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCC[C@H](CCCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630986 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CCC[C@H](CCCO)[C@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630991 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)cc(CC(C)C)c3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085630996 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)ccc3c1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085631000 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H]([C@@H]1CCCc3c(cc(CCN=C(N)N)c4cc(O)ccc34)[C@@H](O)C1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631006 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCC[C@H](CCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631007 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085631015 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)C[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631020 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085631024 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631030 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CC[C@H]1CC[C@H]3[C@H](CN[C@@H]4CC(=O)CC[C@H]34)C1)C(=O)CC2 ZINC000085631035 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)[C@H](CCC(C)C)[C@H](/C=C/c1ccccc1)c1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631043 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)[C@H](CCC(C)C)Cc1cc(N)ncc1CC1=C[CH+]N=C1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631049 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(C[C@H]3CCNC(N)=N3)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631055 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@H]1CN[C@@H]3CC(=O)CC4(CCCC4)[C@H]3C1)C(=O)CC2 ZINC000085631060 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085631068 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(CCN=C(N)N)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631072 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)CCc1ccnc(N)c1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085631080 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1cc(-c3cccc(CO)c3)c3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631085 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CCc1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085631099 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)cc(CC(C)C)c3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631109 KK Annotated Mild in-vitro biogenic CCc1cnc(N)cc1CC[C@H](O)CC[C@@H]1C#C[C@H]([C@H](O)CCCC[C@@H]2CN[C@@H]3CC(=O)CC[C@@H]3C2)C(=O)CCc2cc(OC)c(O)cc21 ZINC000085631122 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085631127 KK Annotated Mild in-vitro biogenic CCCCC[C@H](CN=C(N)N)c1cc([C@@H](O)CC[C@@H]2C#C[C@H]([C@H](O)CCCC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C(=O)CCc3cc(OC)c(O)cc32)cc2ccc(O)cc12 ZINC000085631130 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H]([C@H]1CCCc3c(ccc4cc(O)ccc34)[C@@H](O)C1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631134 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)CC1(c3ccnc(N)c3)CCCCC1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631137 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC1([C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)CCCC1)C(=O)CC2 ZINC000085631144 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](C[C@H](O)[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631147 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CC[C@H]1CC[C@H]3[C@H](CN[C@@H]4CC(=O)CC[C@H]34)C1)C(=O)CC2 ZINC000085631149 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCC[C@H](CCCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631156 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H]([C@H](CCO)CCc1ccccc1)C#C[C@]1(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]1O)C(=O)CC2 ZINC000085631160 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CCCO)C#C[C@@]1(CC[C@@H](CC3([C@H]4CN[C@@H]5CC(=O)CC[C@@H]5C4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000085631163 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CC[C@H](O)[C@H](CCC(C)C)Cc1ccnc(N)c1)C#C[C@H]([C@H](O)CCCC[C@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631167 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCC[C@H](CCO)[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631170 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085631175 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CC[C@H](O)c1ccc3cc(O)ccc3c1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631180 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CCCO)C#C[C@@]1(CC[C@H](CC[C@@H]3C[C@@H]4CCC(=O)C[C@H]4NC34CCCCC4)C[C@H]1O)C(=O)CC2 ZINC000085631186 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H]([C@H](CCO)CCc1ccccc1)C#C[C@H]([C@H](O)CCCC[C@@H]1CN[C@@H]3CC(=O)CC[C@@H]3C1)C(=O)CC2 ZINC000085631202 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@@]1(CC[C@H](CC[C@@H]3C[C@H]4CCC(=O)C[C@H]4NC34CCCCC4)C[C@H]1O)C(=O)CC2 ZINC000085631224 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](CCCO)C#C[C@H]([C@H](O)CCCC[C@@H]1C[C@@H]3CCC(=O)C[C@H]3NC13CCCCC3)C(=O)CC2 ZINC000085631244 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C#C[C@@]2(CC[C@H](CC[C@@H]3CN[C@@H]4CC(=O)CC[C@@H]4C3)C[C@H]2O)C(=O)CCc2cc(OC)c(O)cc21 ZINC000085631247 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](CCCO)C#C[C@@]1(CC[C@H](CCCCC3CCC(=O)CC3)C[C@H]1O)C(=O)CC2 ZINC000085631275 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)CC#C[C@]1(CC[C@@H](CC3(CCC4CCC(=O)CC4)CCCC3)C[C@H]1O)C(=O)CC2 ZINC000085631280 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C1([C+]2C=C(C(C)C)C=N2)CCCCC1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631306 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C(C(C)C)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631309 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CNC[C@H](C)O)C=N1 ZINC000085631311 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C(C(C)C)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](C2(c3ccnc(N)c3)CCCC2)C1 ZINC000085631316 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CCCCO)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631317 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C(C(C)C)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631321 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)C1([C+]2C=C(C(C)C)C=N2)CCCCC1)[C@@H]1C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631323 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C(C(C)C)C=N1 ZINC000085631327 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CCNC)C=N1 ZINC000085631331 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)C[C@@H]2C=C[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631335 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631338 KK Annotated Anodyne in-vitro biogenic CCC[C@@H]([C@@H]1C[C@@H]2C(=O)CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@H]2C[C@@H](C2(c3ccnc(N)c3)CCCC2)C1)[C@H](O)C[C+]1C=C(C(C)C)C=N1 ZINC000085631342 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C([C@H](C)CCCCO)C=N1 ZINC000085631345 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C(C(C)C)C=N1 ZINC000085631347 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)CCO)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631352 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(NCCCO)c2)C1 ZINC000085631356 KK Annotated Mild in-vitro biogenic CCC[C@@H]([C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3c(cc(OC)c(O)c3CCc3ccccc3)CCC(=O)CC(=O)[C@@H]2C1)[C@H](O)C[C+]1C=C(C(C)C)C=N1 ZINC000085631358 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@H]2C1 ZINC000085631364 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCC[C@H]2CCC[C@H](CCCO)C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631367 KK Annotated Anodyne in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](C2(c3ccnc(N)c3)CCCC2)C1 ZINC000085631368 KK Annotated Mild in-vitro biogenic CC[C@H]1CCCC[C@@H]1CCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631372 KK Annotated Anodyne in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631379 KK Annotated Mild in-vitro biogenic CCCNC[C@H](O)[C@H](CCC)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631380 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCCC2CCCCC2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631383 KK Annotated Anodyne in-vitro biogenic CCCC[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(NCCCO)c2)C1 ZINC000085631392 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]c(CC)n2)c1 ZINC000085631395 KK Annotated Mild in-vitro biogenic CCC[C@H]([C@H](O)CCO)[C@@H]1C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631396 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631399 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)c(CCc4ccccc4)c3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631403 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@@H]([C@H](CO)CCC3CCCCC3)C[C@@H]1C(=O)[C@@H](O)C(=O)CC2 ZINC000085631407 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3CCC(C)C)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631408 KK Annotated Mild in-vitro biogenic CCCC1([C@H]2C[C@H](Cc3ccnc(N)c3)C[C@H]3C#C[C@H](c4ccccc4)c4cc(O)c(OC)cc4CCC(=O)[C@H](O)C(=O)[C@@H]3C2)CCCC1 ZINC000085631412 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631417 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1[C@@H]2C(=O)[C@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C[C@H]1[C@H](CO)CCC ZINC000085631419 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631422 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc4c3C(=C[C@]2(CO)Cc2c[cH-]cn2)CCN4)c1 ZINC000085631423 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@@H]1C[C@@H]2C(=O)CC(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@H]2C[C@@H](C2(c3ccnc(N)c3)CCCC2)C1 ZINC000085631426 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc4c3C(=C[C@@]2(CO)Cc2c[cH-]cn2)[CH-]C=N4)c1 ZINC000085631429 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@H]2C1 ZINC000085631432 KK Annotated Mild in-vitro biogenic CCCNC[C@H](O)[C@H](CCC)[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631447 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCCC2CCCCC2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631453 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@@H](CCCC3CCCCC3)C[C@@H]1C(=O)[C@@H](O)C(=O)CC2 ZINC000085631457 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@H](Cc2ccnc(NCCCO)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631458 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)c(CCc4ccccc4)c3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085631470 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]c(CC)n2)c1 ZINC000085631473 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@H](Cc3ccnc(N)c3)C[C@H]([C@H](CO)CCC3CCCCC3)C[C@H]1C(=O)CC(=O)CC2 ZINC000085631475 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCCCCCC2CCCCC2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631481 KK Annotated Anodyne in-vitro biogenic CCC[C@H](CO)[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3c(cc(OC)c(O)c3CCc3ccccc3)CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631486 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631489 KK Annotated Mild in-vitro biogenic CCCC1([C@H]2C[C@H](Cc3ccnc(N)c3)C[C@H]3C#C[C@H](c4ccccc4)c4cc(O)c(OC)cc4CCC(=O)CC(=O)[C@@H]3C2)CCCC1 ZINC000085631494 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1[C@@H](CCCC)C[C@H](Cc2ccnc(N)c2)C[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@@H](O)C(=O)[C@H]21 ZINC000085631496 KK Annotated Mild in-vitro biogenic CCCCCC(CCCCC)CC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631499 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1[C@@H]2C(=O)CC(=O)CCc3cc(OC)c(O)cc3[C@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C[C@H]1[C@H](CO)CCC ZINC000085631503 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc4c3C(=C[C@@]2(CO)Cc2c[cH-]cn2)CCN4)c1 ZINC000085631506 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631509 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc4c3C(=C[C@@]2(CO)Cc2c[cH-]cn2)[CH-]C=N4)c1 ZINC000085631518 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631520 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3CC[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631523 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCCCCCCCCO)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631525 KK Annotated Anodyne in-vitro biogenic CCCC[C@H]1C[C@H](Cc2ccc(N)nc2)C[C@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631528 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1O ZINC000085631532 KK Annotated Anodyne in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]c(CC)n2)c1 ZINC000085631536 KK Annotated Mild in-vitro biogenic CCCC[C@H]1C[C@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@H](c3ccccc3)c3c(cc(OC)c(O)c3CCc3ccccc3)CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631539 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@@H](c1ccccc1)C#C[C@@H]1C[C@@H](Cc3ccnc(N)c3)C[C@H](CCCC3CCCCC3)C[C@H]1C(=O)CC(=O)CC2 ZINC000085631541 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)[C@H](O)C(=O)CCCCCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1O ZINC000085631544 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCCCCCC2CCCCC2)cc([C@H]2c3ccnc(N)c3C=C[C@]2(CO)Cc2c[cH-]cn2)c1O ZINC000085631546 KK Annotated Anodyne in-vitro biogenic CCCCCC(CCCCC)CC(=O)[C@H](O)C(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1 ZINC000085631549 KK Annotated Anodyne in-vitro biogenic CCCCC[C@@H]1[C@@H](CCCC)C[C@@H](Cc2ccnc(N)c2)C[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@H]21 ZINC000085631551 KK Annotated Mild in-vitro biogenic CCCCCC(CCCCC)CC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2c[cH-]cn2)c1 ZINC000085631553 KK Annotated Anodyne in-vitro biogenic CCCC[C@H]1CCC[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@H](O)C(=O)[C@@H]2C1 ZINC000085631556 KK Annotated Mild in-vitro biogenic CCC[C@H](CO)[C@H]1CCC[C@H]2C#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]2C1 ZINC000085631559 KK Annotated Mild in-vitro biogenic CCCCCCCC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1 ZINC000085631561 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCCCCCCCCO)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1O ZINC000085631563 KK Annotated Anodyne in-vitro biogenic CCCC[C@H]1CCC[C@@H]2C#C[C@@H](c3ccccc3CCC(C)C)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@H]2C1 ZINC000085631569 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)CC(=O)CCCCCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1O ZINC000085631572 KK Annotated Anodyne in-vitro biogenic CCCC1([C@H]2CCC[C@H]3C#C[C@@H](c4ccccc4)c4cc(O)c(OC)cc4CCC(=O)CC(=O)[C@@H]3C2)CCCC1 ZINC000085631578 KK Annotated Mild in-vitro biogenic CCCCCC(CCCCC)CC(=O)CC(=O)CCc1cc(OC)c(O)c([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2c[cH-]cn2)c1 ZINC000085631580 KK Annotated Anodyne in-vitro biogenic CCCC1(CC[C@@H]2CC#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)[C@@H](O)C2=O)CCCC1 ZINC000085631587 KK Annotated Mild in-vitro biogenic CCCCCC[C@H]1CC#C[C@H](c2ccccc2CCC(C)C)c2cc(O)c(OC)cc2CCC(=O)[C@@H](O)C1=O ZINC000085631588 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](c1ccccc1)C#C[C@@H]1CCC[C@H](CCCC3CCCCC3)C[C@H]1C(=O)CC(=O)CC2 ZINC000085631597 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1[C@@H](CCCC)CCC[C@@H]2C#C[C@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC(=O)[C@@H]21 ZINC000085631610 KK Annotated Mild in-vitro biogenic COc1cc2c(cc1O)[C@H](c1ccccc1)C#CC[C@@H](CCCCCC1CCCCC1)C(=O)[C@H](O)C(=O)CC2 ZINC000085631614 KK Annotated Mild in-vitro biogenic CCCCCC[C@@H]1CC#C[C@@H](c2ccccc2)c2c(cc(OC)c(O)c2CCc2ccccc2)CCC(=O)[C@@H](O)C1=O ZINC000085631615 KK Annotated Mild in-vitro biogenic CCCCCC(CCCCC)[C@H]1CC#C[C@H](c2ccccc2)c2cc(O)c(OC)cc2CCC(=O)[C@@H](O)C1=O ZINC000085631619 KK Annotated Mild in-vitro biogenic CCCCCC[C@@H]1CC#C[C@H](c2ccccc2CCC(C)C)c2cc(O)c(OC)cc2CCC(=O)CC1=O ZINC000085631622 KK Annotated Mild in-vitro biogenic CCCC1(CC[C@@H]2CC#C[C@@H](c3ccccc3)c3cc(O)c(OC)cc3CCC(=O)CC2=O)CCCC1 ZINC000085631626 KK Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6c[cH-]cn6)c6ccnc(N)c6CSSC[C@H](CO)[C@H]5O)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 ZINC000085631666 KK Annotated Reactive in-vitro biogenic CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6c[cH-]cn6)c6ccnc(N)c6CSSC[C@H](CO)[C@H]5O)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631676 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H]4C[C@@H](Cc5c[cH-]cn5)c5ccnc(N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 ZINC000085631696 KK Annotated Reactive in-vitro biogenic Nc1nccc2c1CSSC[C@H](CO)[C@H](O)[C@@H](Oc1cc([C@H]3C=C[C@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C3)ccc1O)C[C@H]2Cc1c[cH-]cn1 ZINC000085631699 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5CSSC[C@H](CO)[C@H]4O)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631703 KK Annotated Reactive in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](C[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCCC4)[C@H](O)CCO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631791 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](C[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCC4)[C@H](O)CCO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631794 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)[C@H](O)CCO)c3)C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 ZINC000085631796 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)[C@H](O)CCO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631799 KK Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@H](CO)C[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631803 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](CO)C[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631814 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](C[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCCC4)[C@H](O)CO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631817 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@@H]3[C@H]([C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCC4)CC[C@H](O)[C@H]3O)c2)[C@@H](O)CCCC1 ZINC000085631822 KK Annotated Mild in-vitro biogenic CC[C@]12C#CC[C@@H]([C@H](O)CCc3ccc(O)c(O[C@@H]4[C@@H](O)[C@H](O)CC[C@@H]4[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)[C@@H](O)[C@H](CCC1)CC2 ZINC000085631824 KK Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](C[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCC4)[C@H](O)CO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631828 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](CO)C[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631833 KK Annotated Mild in-vitro biogenic CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@H](CO)C[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5)c4)C[C@@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 ZINC000085631837 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@@H]3[C@@H]([C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)CC[C@@H](O)[C@H]3O)c2)[C@@H](O)CCCC1 ZINC000085631853 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](CO)C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631855 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H](C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)[C@H](O)CO)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631858 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@H](CO)C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631867 KK Annotated Mild in-vitro biogenic CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(OCC[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631870 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OCC[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631880 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OCC[C@H](c4ccnc(N)c4)C4(c5c[cH-]cn5)CCCC4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631886 KK Annotated Mild in-vitro biogenic CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(OCC[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5)c4)C[C@@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 ZINC000085631887 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(OCC[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 ZINC000085631890 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](C[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCCC3)[C@H](O)CO)c2)[C@@H](O)CCCC1 ZINC000085631894 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](CO)C[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCCC3)c2)[C@@H](O)CCCC1 ZINC000085631896 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OCC[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631898 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](C[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCC3)[C@H](O)CO)c2)[C@@H](O)CCCC1 ZINC000085631902 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](CO)C[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCC3)c2)[C@@H](O)CCCC1 ZINC000085631905 KK Annotated Mild in-vitro biogenic CC[C@]12C#CC[C@@H]([C@H](O)CCc3ccc(O)c(O[C@H](CO)C[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)[C@@H](O)[C@H](CCC1)CC2 ZINC000085631908 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(OCC[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631917 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](C[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)[C@H](O)CO)c2)[C@@H](O)CCCC1 ZINC000085631921 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(O[C@H](CO)C[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085631924 KK Annotated Mild in-vitro biogenic Nc1cc([C@H](CCOc2cc(CC[C@@H](O)C[C@@H](O)[C@@H]3CCC[C@H]4CCc5nc[cH-]c5[C@H]4C3)ccc2O)Cc2c[cH-]cn2)ccn1 ZINC000085631935 KK Annotated Anodyne in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCC[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCCC3)c2)[C@@H](O)CCCC1 ZINC000085631938 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCC[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCC3)c2)[C@@H](O)CCCC1 ZINC000085631940 KK Annotated Mild in-vitro biogenic CC[C@@]12C#CC[C@H]([C@H](O)CCc3ccc(O)c(OCC[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)[C@@H](O)[C@@H](CCC1)CC2 ZINC000085631943 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](OCCO)CCCC1 ZINC000085631948 KK Annotated Mild in-vitro biogenic CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(O[C@H](CO)C[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)CC1 ZINC000085631955 KK Annotated Anodyne in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085631960 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(OC)c3-c3cc4ccc(O)cc4cc3CO)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 ZINC000085631962 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085631964 KK Annotated Mild in-vitro biogenic Nc1cc([C@H](CCOc2cc(CC[C@@H](O)C[C@@H](O)[C@@H]3CCC[C@@H]4CCC=C[C@@H]4C3)ccc2O)Cc2c[cH-]cn2)ccn1 ZINC000085631970 KK Annotated Anodyne in-vitro biogenic CC[C@H]1CCC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCCC3)c2)CC1 ZINC000085631972 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1CCC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](c3ccnc(N)c3)C3(c4c[cH-]cn4)CCCC3)c2)CC1 ZINC000085631975 KK Annotated Anodyne in-vitro biogenic CC[C@H]1CCC[C@@H]([C@@H](C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)OCCO)CC1 ZINC000085631982 KK Annotated Anodyne in-vitro biogenic C[C@H](Cc1ccccc1)[C@H]1CCC[C@@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)CC1 ZINC000085631985 KK Annotated Anodyne in-vitro biogenic CC[C@@H]1CCC[C@H]([C@H](O)C[C@H](O)CCc2ccc(O)c(OCC[C@H](Cc3c[cH-]cn3)c3ccnc(N)c3)c2)CC1 ZINC000085631991 KK Annotated Anodyne in-vitro biogenic CC[C@@]12CCC[C@H]([C@H](O)C[C@H](O)CCc3ccc(O)c(OCC[C@H](Cc4c[cH-]cn4)c4ccnc(N)c4)c3)[C@@H](CC1)C2 ZINC000085631995 KK Annotated Anodyne in-vitro biogenic CC[C@@]12C#CC[C@H]([C@H](O)CCc3ccc(O)c(OC)c3-c3cc4ccc(O)cc4cc3CO)[C@@H](O)[C@@H](CCC1)CC2 ZINC000085631998 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OC)c2-c2cc3ccc(O)cc3cc2CO)[C@@H](OCCO)CCCC1 ZINC000085632003 KK Annotated Mild in-vitro biogenic COc1c(O)ccc(CC[C@@H](O)[C@H]2CC#C[C@@H]([C@H](C)Cc3ccccc3)CCCC[C@@H]2O)c1-c1cc2ccc(O)cc2cc1CO ZINC000085632006 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OC)c2-c2cc3ccc(O)cc3cc2CO)[C@@H](O)CCCC1 ZINC000085632008 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OC)c2-c2ccc3cc(O)ccc3c2)[C@@H](O)CC[C@H](NC[C@H](C)O)C1 ZINC000085632015 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c3c2-c2cc4ccc(O)cc4cc2C=CCO3)[C@@H](O)CCCC1 ZINC000085632018 KK Annotated Mild in-vitro biogenic CC[C@@]12C#CC[C@H]([C@H](O)CCc3ccc(O)c(OC)c3-c3ccc4cc(O)ccc4c3)[C@@H](O)[C@@H](CCC1)CC2 ZINC000085632025 KK Annotated Mild in-vitro biogenic CC[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OC)c2-c2ccc3cc(O)ccc3c2)[C@@H](OCCO)CCCC1 ZINC000085632032 KK Annotated Mild in-vitro biogenic COc1c(O)ccc(CC[C@@H](O)[C@H]2CC#C[C@H](CCO)CCCC[C@@H]2O)c1-c1ccc2cc(O)ccc2c1 ZINC000085632035 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)C[C@H](O)CCc1ccc(O)c(O[C@H](CO)C[C@H](Cc2c[cH-]cn2)c2ccnc(N)c2)c1 ZINC000085632041 KK Annotated Mild in-vitro biogenic COc1c(O)ccc(CC[C@@H](O)[C@H]2CC#C[C@H]([C@H](C)Cc3ccccc3)CCCC[C@@H]2O)c1-c1ccc2cc(O)ccc2c1 ZINC000085632044 KK Annotated Mild in-vitro biogenic CC[C@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OC)c2-c2ccc3cc(O)ccc3c2)[C@@H](O)CCCC1 ZINC000085632048 KK Annotated Mild in-vitro biogenic CC[C@@]12C#CC[C@H]([C@H](O)CCc3ccc(O)c(OCCCc4ccnc(N)c4)c3)[C@@H](O)[C@@H](CCC1)CC2 ZINC000085632051 KK Annotated Mild in-vitro biogenic C[C@H](Cc1ccccc1)[C@@H]1C#CC[C@H]([C@H](O)CCc2ccc(O)c(OCCCc3ccnc(N)c3)c2)[C@@H](O)CCCC1 ZINC000085632063 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)C[C@H](O)CCc1ccc(O)c(OCC[C@H](c2ccnc(N)c2)C2(c3c[cH-]cn3)CCCCC2)c1 ZINC000085632068 KK Annotated Mild in-vitro biogenic CCCCCCC[C@H](O)C[C@H](O)CCc1ccc(O)c(OCC[C@H](c2ccnc(N)c2)C2(c3c[cH-]cn3)CCCC2)c1 ZINC000085632075 KK Annotated Mild in-vitro biogenic CCCCCCC[C@@H](C[C@H](O)CCc1ccc(O)c(OCC[C@H](Cc2c[cH-]cn2)c2ccnc(N)c2)c1)OCCO ZINC000085632081 KK Annotated Mild in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)[C@@H]2CC[C@@H](O)[C@](Cc3ccc(OCO)c(OC)c3)(c3cc(O)cc(CNC)c3)C2=O)ccc(O)c1OC ZINC000085632083 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@@]2(Cc3cnc[cH-]3)CC[C@H]3C[C@H](O)[C@](Cc4ccc(O)c(OC)c4)(c4cc(O)cc(CNC)c4)C(=O)[C@H]3[C@H]2O)ccc(O)c1OC ZINC000085632086 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1[C@@H]1C=C[C@@H]([C@H](Cc2cnc[cH-]2)[C@H](O)[C@H]2CC[C@@H](O)[C@@](Cc3ccc(O)c(OC)c3)(c3cc(O)cc(CNC)c3)C2=O)c2ccc(O)c(OC)c21 ZINC000085632089 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)[C@@H]2CC[C@@H](O)[C@](Cc3ccc(O)c(OC)c3)(c3cc(O)cc(CNC)c3)C2=O)ccc(O)c1OC ZINC000085632092 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)[C@@H]2C=C[C@H](O)[C@@](Cc3ccc(O)c(OC)c3)(c3cc(O)cc(CNC)c3)C2=O)ccc(O)c1OC ZINC000085632094 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(OCO)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632096 KK Annotated Anodyne in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632100 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC3CCCCC3)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632102 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC3CCCC3)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632107 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632111 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632113 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@]2(Cc3ccc(O)c(OC)c3)C(=O)[C@H]([C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]2O)c1 ZINC000085632117 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@]2(Cc3ccc(O)c(OC)c3)C(=O)[C@H]([C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@H]2O)c1 ZINC000085632118 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1[C@@H]1C=C[C@@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)c2ccc(O)c(OC)c21 ZINC000085632122 KK Annotated Anodyne in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632126 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC3CCCCC3)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632129 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(OCO)c(OCNC[C@H](C)O)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632132 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@](CO)(Cc2ccc(OCO)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632135 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC3CCCC3)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632138 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)[C@H]2C=C[C@H](c3cccc4ccccc34)c3c2ccc(O)c3OC)c1 ZINC000085632141 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cc(O)cc(CNC)c2)ccc(O)c1OC ZINC000085632142 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 ZINC000085632145 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@](CO)(Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 ZINC000085632148 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@](CO)(Cc2ccc(O)c(OC3CCCCC3)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632151 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@](CO)(Cc2ccc(O)c(OC3CCCC3)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632152 KK Annotated Anodyne in-vitro biogenic CNC1(c2cc(O)cc([C@@H](Cc3ccc(O)c(OCNC[C@H](C)O)c3)C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCC1 ZINC000085632155 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@](CO)(Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632158 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632160 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@](CO)(Cc2ccc(O)c(OC)c2)c2cccc(O)c2)ccc(O)c1OC ZINC000085632163 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cccc(O)c2)ccc(O)c1OC ZINC000085632166 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)[C@H]2C=C[C@@H](c3cccc4ccccc34)c3c2ccc(O)c3OC)c1 ZINC000085632170 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OCNC[C@H](C)O)c2)ccc(O)c1OC ZINC000085632173 KK Annotated Mild in-vitro biogenic CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cccc(O)c2)c2ccc(O)c(OC)c21 ZINC000085632180 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 ZINC000085632183 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC3CCCCC3)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632189 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC3CCCC3)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632192 KK Annotated Anodyne in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cccc(O)c2)ccc(O)c1OC ZINC000085632193 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC3CCCCC3)c2)c2cccc(O)c2)ccc(O)c1OC ZINC000085632196 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC3CCCCC3)c2)ccc(O)c1OC ZINC000085632199 KK Annotated Mild in-vitro biogenic CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC)c2)ccc(O)c1OC ZINC000085632203 KK Annotated Mild in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC3CCCC3)c2)c2cccc(O)c2)ccc(O)c1OC ZINC000085632206 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC3CCCC3)c2)ccc(O)c1OC ZINC000085632208 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 ZINC000085632212 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC)c2)c2cccc(O)c2)ccc(O)c1OC ZINC000085632218 KK Annotated Anodyne in-vitro biogenic CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC)c2)ccc(O)c1OC ZINC000085632226 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCCC3)c2)Cc2cnc[cH-]2)c1 ZINC000085632235 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@](CO)(C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c2cccc(O)c2)ccc1O ZINC000085632238 KK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)c2cccc(O)c2)c1Cc1cccc2ccccc12 ZINC000085632240 KK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OCNC[C@H](C)O)c2)c1Cc1cccc2ccccc12 ZINC000085632243 KK Annotated Mild in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCC3)c2)Cc2cnc[cH-]2)c1 ZINC000085632251 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)[C@H]2C=C[C@@H](c3cccc4ccccc34)c3c2ccc(O)c3OC)c2cccc(O)c2)ccc1O ZINC000085632254 KK Annotated Anodyne in-vitro biogenic CNCc1cc(O)cc([C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2CC(C)C)c1 ZINC000085632256 KK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC3CCCCC3)c2)c2cccc(O)c2)c1Cc1cccc2ccccc12 ZINC000085632264 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c2cccc(O)c2)ccc1O ZINC000085632268 KK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC3CCCCC3)c2)c1Cc1cccc2ccccc12 ZINC000085632269 KK Annotated Mild in-vitro biogenic COc1c(O)ccc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OC3CCCC3)c2)c2cccc(O)c2)c1Cc1cccc2ccccc12 ZINC000085632281 KK Annotated Anodyne in-vitro biogenic COc1c(O)ccc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](CC2=C[CH+]N=C2)Cc2ccc(O)c(OC3CCCC3)c2)c1Cc1cccc2ccccc12 ZINC000085632284 KK Annotated Mild in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c2cccc(O)c2)ccc1O ZINC000085632287 KK Annotated Anodyne in-vitro biogenic CNc1cc(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)cc2ccccc12 ZINC000085632299 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](Cc2ccc3ccccc3c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)ccc1O ZINC000085632302 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCCC3)c2)Cc2cnc[cH-]2)c2cccc(O)c2)ccc1O ZINC000085632317 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c(OCNC[C@H](C)O)c2)Cc2ccc3ccccc3c2)ccc1O ZINC000085632319 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](Cc2cc(O)c3ccccc3c2)C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632323 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](Cc2ccc3c(ccc4cc5ccccc5cc43)c2)C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632332 KK Annotated Bother in-vitro biogenic COc1cc(C[C@@H](Cc2ccc3ccccc3c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCCC3)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632333 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@](CO)(Cc2ccc(O)c(OC)c2)Cc2ccc3ccccc3c2)ccc1O ZINC000085632336 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCC3)c2)Cc2cnc[cH-]2)c2cccc(O)c2)ccc1O ZINC000085632339 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2CC(C)C)c2cccc(O)c2)ccc1O ZINC000085632342 KK Annotated Anodyne in-vitro biogenic CNCc1cccc2ccc(C[C@@H](Cc3ccc(O)c(OC)c3)C(=O)C[C@@H](O)[C@@H](Cc3ccc(O)c(OC)c3)Cc3cnc[cH-]3)cc12 ZINC000085632352 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](Cc2ccc3ccccc3c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCC3)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632355 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](Cc2ccc3ccccc3c2)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2CC(C)C)ccc1O ZINC000085632357 KK Annotated Anodyne in-vitro biogenic CCCNCc1cccc2ccc(C[C@@H](Cc3ccc(O)c(OC)c3)C(=O)C[C@@H](O)[C@@H](Cc3ccc(O)c(OC)c3)Cc3cnc[cH-]3)cc12 ZINC000085632360 KK Annotated Anodyne in-vitro biogenic CCc1cc(C[C@@H](Cc2ccc(O)c(OC)c2)C(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)cc2ccccc12 ZINC000085632363 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](Cc2ccc3ccccc3c2)C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632381 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)ccc1O ZINC000085632383 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](Cc2ccc3ccccc3c2CCCO)C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632389 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](CC2=C[CH+]N=C2)C(=O)C[C@@H](O)[C@@H](Cc2ccccc2)Cc2ccc(O)c(OC)c2)ccc1O ZINC000085632392 KK Annotated Mild in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@H](Cc2ccccc2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)ccc1O ZINC000085632400 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@@H](Cc2ccc(O)c(OC3CCCCC3)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632411 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c2cccc(O)c2)ccc1O ZINC000085632420 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@@H](CCC(C)C)C(=O)C[C@@H](O)[C@H](Cc2ccc(O)c(OC)c2)Cc2cnc[cH-]2)ccc1O ZINC000085632435 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)CCc2ccc(O)c(OC3CCCCC3)c2)c2cccc(O)c2)ccc1O ZINC000085632442 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)[C@H](Cc2ccccc2)Cc2ccc(O)c(OC)c2CC(C)C)ccc1O ZINC000085632453 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)CCc2ccc(O)c(OC3CCCC3)c2)c2cccc(O)c2)ccc1O ZINC000085632461 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2CC(C)C)c2cccc(O)c2)ccc1O ZINC000085632466 KK Annotated Anodyne in-vitro biogenic COc1cc(CCC(=O)C[C@@H](O)CCc2ccc(O)c(OC)c2Cc2cccc3ccccc23)ccc1O ZINC000085632478 KK Annotated Anodyne in-vitro biogenic CC(C)=CCOc1c2c(cc3occc13)O[C@]1(C=C2)O[C@@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000085633079 KK Annotated Anodyne in-vitro biogenic CC(C)=C[C@H](C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12)OC(C)(C)/C=C/C/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 ZINC000085633099 KK Annotated Anodyne in-vitro biogenic CCC[C@H]([C@H](O)C[C+]1C=C([C@H](C)CCNC)C=N1)[C@H]1C[C@@H]2C(=O)[C@@H](O)C(=O)CCc3cc(OC)c(O)cc3[C@@H](c3ccccc3)C#C[C@@H]2C[C@H](Cc2ccnc(N)c2)C1 ZINC000085634940 KK Annotated Mild in-vitro biogenic Nc1nccc2c1CSSC[C@H](CO)[C@@H](O)[C@@H](Oc1cc3c(cc1O)CCC1=C[C@@H]4C#C[C@@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C[C@@H]13)C[C@@H]2Cc1c[cH-]cn1 ZINC000085635185 KK Annotated Reactive in-vitro biogenic CNC(=N)NC[C@H](C)CC[C@H]1CC[C@H](N)C[C@H]1CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085635549 KK Annotated Mild in-vitro biogenic CNC(=N)NC[C@H](C)CCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC3(CCCC3)[C@H]3CCC[C@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085635557 KK Annotated Mild in-vitro biogenic CNC(=N)NC[C@H](C)CCC[C@H](CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@@H]4CNC[C@H](C)O)c2)c[c-]1CO)C[C@H](N)CCCO ZINC000085635560 KK Annotated Mild in-vitro biogenic CNC(=N)NC[C@H](C)CCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)[C@H]3C=C[C@@]5(CCC[C@@H]5C3)[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085635562 KK Annotated Mild in-vitro biogenic C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCC[C@H](CCN)CCC[C@H](C)CNC(=N)NC5CCCCC5)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 ZINC000085635569 KK Annotated Mild in-vitro biogenic CNC(=N)NC[C@H](C)CCC[C@H](CCN)CCCCc1[o+]c(CCc2ccc(O)c(OC[C@H](O)[C+]3C=C4C(=N3)CC[C@H]3CCC[C@@H]3[C@H]4CNC[C@H](C)O)c2)c[c-]1CO ZINC000085635573 KK Annotated Mild in-vitro biogenic CCCCC[C@H]1C(=O)C[C@H](c2cc(OC)c(O)cc2CO)[C@@H](Cc2ccccc2)C#C[C@H]2CN[C@H]3CCC[C@H]4CCc5cc(O)c(O)cc5[C@]43[C@@H]2[C@H]1O ZINC000085636052 KK Annotated Mild in-vitro biogenic COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C)=C(C)C1=O ZINC000085636693 KK Annotated Mild CCC(Br)(Br)c1oc(Br)c(Br)c(=O)c1Br ZINC000085637040 KK Annotated Anodyne Cc1cc(O)c2c(=O)c3c(O)c([C@@H]4CCCCN4)c(O)c4c5c(O)c([C@@H]6CCCCN6)c(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000085637240 KK Annotated Clean in-man endogenous Cc1cc(O)c2c(=O)c3c(O)c([C@@H]4CCCCN4)c(O)c4c5c(O)c([C@H]6CCCCN6)c(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000085637243 KK Annotated Clean in-man endogenous Cc1cc(O)c2c(=O)c3c(O)c([C@H]4CCCCN4)c(O)c4c5c(O)c([C@H]6CCCCN6)c(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000085637247 KK Annotated Clean in-man endogenous CCCCC(Br)(Br)C(=O)C(Br)=C(Br)Br ZINC000085637566 KK Annotated Mild CCC(Br)(Br)/C=C/C(=O)C(Br)=C(Br)Br ZINC000085637570 KK Annotated Mild COC1=C(O)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000085637705 KK Annotated Mild in-vitro CCCC[C@@H]1CCC[C@@H]2C#C[C@@H](c3ccccc3)c3c(cc(OC)c(O)c3CCc3ccccc3)CCC(=O)CC(=O)[C@H]2C1 ZINC000085638319 KK Annotated Mild in-vitro biogenic CCCCCCCCCCCCCCCCC1=C(C(=O)OC)C(=O)[C@H]([C@]23CC(=O)O[C@H]2C[C@](O)(CCCCCCCCCCCCCCCC)O3)C1 ZINC000085638411 KK Annotated Mild CCCCCCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CCCCCCCCCCCCCCC)N1CCc1ccc(O)cc1 ZINC000085638417 KK Annotated Mild Cc1cc(O)cc(O)c1C(=O)O[C@@]1(C)C(=O)C2=C(C=C(/C=C/C(=O)O)OC2)[C@]2(C[C@H]3C[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@H]5C(=C34)[C@H]2C=C2C[C@@H](O)CC[C@@]25C)C1=O ZINC000085638677 KK Annotated Anodyne Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C([C@@H]3[C@@H]4C=C5C[C@@H](O)CC[C@]5(C)[C@H]5CC[C@@]6(C)C(=C45)[C@H](C[C@@H]6[C@H](C)/C=C/[C@H](C)C(C)C)[C@H]3C(=O)O)OC=C2C1=O ZINC000085638692 KK Annotated Anodyne CC(C)=CCc1cccc2[nH]c3c(c12)C[C@@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@@H]4O[C@H](C=C(C)C)OC(C)(C)[C@H]4O[C@H]5CC[C@]2(C)[C@@]31C ZINC000085639101 KK Annotated Anodyne in-vitro CC(C)CCCCCCCCC/C=C/[C@@H](O)[C@H](CS(=O)(=O)O)NC(=O)C[C@H](O)CCCCCCCCCCCC(C)C ZINC000085639242 KK Annotated Anodyne CC(C)CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CS(=O)(=O)O)[C@H](O)CCCCCCCCCCCC(C)C ZINC000085639246 KK Annotated Anodyne CCC[C@H](C/C(C)=C/[C@@H](O)[C@@H](C)[C@@H]1C[C@H](O)CCC/C=C(\C)CC[C@H](OC(C)=O)C[C@H](OC(C)=O)C[C@@H](OC(C)=O)CC[C@@H](C)[C@H](O)[C@H](C)C(=O)O1)OC(C)=O ZINC000085639349 KK Annotated Anodyne CCC[C@H](C/C(C)=C/[C@@H](O)[C@@H](C)[C@@H]1C[C@H](O)CCC/C=C(\C)CC[C@H](O)C[C@H](OC(C)=O)C[C@@H](OC(C)=O)CC[C@@H](C)[C@H](O)[C@H](C)C(=O)O1)OC(C)=O ZINC000085639354 KK Annotated Anodyne CC1=C[C@@H](C2=C(C)[C@H]3/C=C(\C)[C@@H](O)CC[C@@H]4C[C@@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000085640048 KK Annotated Anodyne in-man CC1=C[C@@H](C2=C(C)[C@H]3/C=C(\C)[C@@H](O)CC[C@@H]4C[C@H](C)[C@@H](O4)/C(C)=C/CCC4=NCCC[C@@]43CC2)OC1=O ZINC000085640051 KK Annotated Anodyne in-man COc1ccc(C[C@H](C(=O)N(C)CCc2cc(OC)c(Br)cc2Br)N(C)C)cc1Br ZINC000085640496 KK Annotated Anodyne COc1ccc(C[C@H](C(=O)NCCCN(C)CCc2cc(OC)c(Br)cc2Br)N(C)C)cc1Br ZINC000085640499 KK Annotated Anodyne CC(=O)O[C@@H](CC/C(C)=C/CC/C=C(\C)CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@](C)(O)CCC=C(C)C ZINC000085640531 KK Annotated Anodyne CC(C)=CC(=O)C[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1C[C@H]1OC(=O)[C@@H]3OC(=O)C(C)(C)[C@@H]4CC[C@]2(C)[C@H]1[C@@]34C ZINC000085641002 KK Annotated Mild COC(=O)C(C)(C)[C@@H]1CC[C@]2(C)[C@@H]3[C@@H](C[C@@H]4[C@@H]([C@](C)(O)CC(=O)C=C(C)C)CC[C@]42C)OC(=O)C[C@@]13C ZINC000085641005 KK Annotated Mild CCc1oc([C@H](C)[C@@H]2O[C@@]3(OC([C@H](C)CC)=C(C)C(=O)[C@@H]3C)[C@@H](C)[C@@H](OC(=O)CC(C)C)[C@@H]2C)c(C)c(=O)c1C ZINC000085641100 KK Annotated Mild CCc1oc([C@H](C)[C@@H]2O[C@@]3(OC([C@H](C)CC)=C(C)C(=O)[C@@H]3C)[C@@H](C)[C@@H](OC(=O)[C@H](C)CC)[C@@H]2C)c(C)c(=O)c1C ZINC000085641114 KK Annotated Mild C=C[C@@]12C(=O)[C@@](C)(O)[C@@H](C[C@@H]1c1cc(C)cc3c1-c1ccc(O)c(C)c1CC3)C1=C2c2ccc(OC)c(C)c2CC1 ZINC000085641861 KK Annotated Mild O=C(/C=C/c1ccc(O)cc1)Oc1ccc(/C=C\C(=O)N2C[C@H](c3ccc(O)cc3)O[C@H](c3ccc(O)cc3)C2)cc1 ZINC000085641999 KK Annotated Anodyne COC(=O)N1c2ccc(OC)cc2[C@]23CCN4CC=C[C@]45CC[C@]12[C@@H](C5)C(=O)O[C@@]12CCN4CC=C[C@]45CC[C@]1([C@@H](C5)C(=O)O3)N(C(=O)OC)c1ccc(OC)cc12 ZINC000085642129 KK Annotated Anodyne CCC[C@H](C/C(C)=C/[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@H](OC(C)=O)CC/C(C)=C/CCC[C@@H](O)C[C@H](O)[C@@H]1C)OC(C)=O ZINC000085642570 KK Annotated Anodyne CCC[C@H](C/C(C)=C/[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H](O)C[C@@H](OC(C)=O)C[C@@H](O)CC/C(C)=C/CCC[C@@H](O)C[C@H](O)[C@@H]1C)OC(C)=O ZINC000085642584 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]2(C)[C@]2(C)CC[C@@]3(O[C@@]4(C(C)(C)O)CC[C@]3(C)O4)[C@@H]12 ZINC000085642766 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@]4(CC[C@]23C)O[C@@]2(C(C)(C)O)CC[C@]4(C)O2)C1(C)C ZINC000085642789 KK Annotated Anodyne C=CC(=C)[C@@]1(O)C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC[C@]23C)O[C@@](O)(C(=C)C=C)C[C@H]2[C@@](C)(CC[C@@]3(O)C(C)(C)CCC[C@]23C)O1 ZINC000085642950 KK Annotated Mild CC(C)c1c(O)c2c(=O)c3c(O)cc(O)c4c3c3c2c(c1O)c1c(O)c(C(C)C)c(O)c2c(=O)c5c(O)cc(O)c(c5c3c21)C4c1ccc(O)cc1 ZINC000085643231 KK Annotated Bother COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000085643367 KK Annotated Mild in-vitro biogenic COc1cc([C@H]2Cc3c(OC)cc(C[C@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O ZINC000085643372 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCC/C=C\CCC#CCCC(=O)O[C@H](C)C[C@H](CCC[C@@](C)(O)CC(=O)NCCS(=O)(=O)O)OC(C)=O ZINC000085643631 KK Annotated Mild COc1cc(O)c(-c2cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c2c1[C@@H](C)N[C@H](C)C2 ZINC000085643649 KK Annotated Clean COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@H](C)N(C)[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000085643653 KK Annotated Clean C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@]4(C)[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@]2(C)[C@]1(C)O ZINC000085644430 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)cc(/C=C\c4ccccc4)c3[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000085644680 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(OC)cc(C[C@H]4COC(=O)[C@@H]4Cc4cc(OC)c5c(c4)[C@H](CO)[C@@H](c4ccc(O)c(OC)c4)O5)cc3[C@@H]2CO)ccc1O ZINC000085644746 KK Annotated Anodyne in-vitro biogenic COc1cc(CC[C@H](CC(=O)CCc2ccccc2)OC)cc(-c2cc(CC[C@H](CC(=O)CCc3ccccc3)OC)cc(OC)c2O)c1O ZINC000085644749 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCC/C=C/CC[C@@H](O)[C@@H](O)C[C@H](O)[C@H](CO)NC(=O)[C@H](O)CC[C@H](CC)CCCCCCCCC ZINC000085645498 KK Annotated Mild in-vitro biogenic C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000085645579 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCCCC(=O)CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000085645601 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#C[C@H](O)CCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000085645624 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCCC(=O)CCCCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000085645648 KK Annotated Mild C#C[C@H](O)/C=C/[C@H](O)CCC[C@H](O)CC#C[C@H](O)C#CCCCC[C@H](O)/C=C/CCC[C@H](O)/C=C/CCCCCCCCCCCCC[C@H](O)[C@H](O)C#CC(=O)O ZINC000085645661 KK Annotated Anodyne CO[C@H]1C[C@H](O[C@H]2[C@@H](OC)C[C@H](O[C@@H]3CC4=CC[C@H]5C(=O)[C@@](C)(c6ccoc6C)CC[C@@H]5[C@@]4(C)CC3=O)O[C@@H]2C)O[C@@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O)[C@@H](C)O1 ZINC000085645766 KK Annotated Anodyne C=C1[C@H](OC(=O)c2ccccc2)C[C@@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000085645902 KK Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](Oc4ccccc4C=O)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000085645906 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(C)=O)C[C@H]2C(=O)[C@](O)(C[C@H](C)[C@@H]2OC(=O)c2ccccc2)/C(C)=C/[C@@H]2[C@H](CC[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000085645913 KK Annotated Mild in-vitro biogenic CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCc1cc(OC)c(C/C=C(\C)CC(=O)C=C(C)C)c(O)c1C=O ZINC000085646219 KK Annotated Mild in-man endogenous CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@H]5c6c(cc(O)c7c(=O)c8ccc(O)c(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1 ZINC000085646251 KK Annotated Clean in-vitro biogenic C=CCCCCCCCCCC[C@H](C)CCC[C@H](C)CCCCCCCCCCCCCCCCCC ZINC000085646311 KK Annotated Mild C=CCCCCCCCCCC[C@H](C)CCC[C@@H](C)CCCCCCCCCCCCCCCCCC ZINC000085646317 KK Annotated Mild C=CCCCCCCCCCC[C@@H](C)CCC[C@H](C)CCCCCCCCCCCCCCCCCC ZINC000085646320 KK Annotated Mild C=CCCCCCCCCCC[C@@H](C)CCC[C@@H](C)CCCCCCCCCCCCCCCCCC ZINC000085646323 KK Annotated Mild CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@@H]2C(C)(C)C1 ZINC000085646800 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@@H]2C(C)(C)C1 ZINC000085646802 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@@H]2C(C)(C)C1 ZINC000085646804 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@@H]2C(C)(C)C1 ZINC000085646807 KK Annotated Anodyne in-man endogenous CC(C)=CCc1[nH]c2ccccc2c1CC1=C(O)C(=O)C(Cc2c(CC=C(C)C)[nH]c3ccccc23)=C(O)C1=O ZINC000085646924 KK Annotated Mild CC(=O)OC1=C(Cc2c(CC=C(C)C)[nH]c3ccccc23)C(=O)C(O)=C(Cc2c(CC=C(C)C)[nH]c3ccccc23)C1=O ZINC000085646928 KK Annotated Mild CC(C)=CCc1[nH]c2ccccc2c1CC1=C(O)C(=O)C(Cc2c(CC=C(C)C)[nH]c3c(C(=O)O)cccc23)=C(O)C1=O ZINC000085646931 KK Annotated Mild C=CC(C)(C)n1cc(CC2=C(O)C(=O)C(Cc3c(CC=C(C)C)[nH]c4ccccc34)=C(O)C2=O)c2ccccc21 ZINC000085646933 KK Annotated Mild CC(=O)OC/C1=C\[C@H](OC(C)=O)[C@@H]2C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)/C(OC(C)=O)=C(/C)[C@H](OC(C)=O)C[C@@H]1OC(=O)/C(=C/c1ccccc1)OC(C)=O)C2(C)C ZINC000085647646 KK Annotated Anodyne COc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC)cc31)c1cc(C)cc(O)c1C2=O ZINC000085648237 KK Annotated Anodyne in-vitro biogenic COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648337 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1OC)[C@@H](Cc1ccc(O)c(Oc3cc4c(cc3OC)CC[C@@H](C)[C@]4(C)Cc3ccc(O)cc3)c1)N(C)CC2 ZINC000085648346 KK Annotated Anodyne in-vitro biogenic COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CCN5C)ccc4O)c(OC)cc3CC[C@H]2C)cc1 ZINC000085648347 KK Annotated Anodyne in-vitro biogenic Oc1cc(O)cc(Oc2c(O)cc(Oc3c(O)cc4c(c3O)Oc3cc(Oc5c(O)cc(O)cc5O)c(O)c(O)c3O4)cc2O)c1 ZINC000085648471 KK Annotated Clean O=C(/C=C/C1C(c2ccc3c(c2)OCO3)C(/C=C/C(=O)N2CCCCC2)C1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085648919 KK Annotated Anodyne in-man O=C(/C=C/[C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085648937 KK Annotated Anodyne in-man O=C(/C=C/[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085648938 KK Annotated Anodyne in-man O=C(/C=C/[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085648941 KK Annotated Anodyne in-man O=C(/C=C/[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085648943 KK Annotated Anodyne in-man C[C@@H](CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C)CCC[C@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C ZINC000085649478 KK Annotated Anodyne in-vitro biogenic C[C@@H](CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C)CCC[C@H](C)CC[C@@H]1[C@@H](C)CCCC1(C)C ZINC000085649482 KK Annotated Anodyne in-vitro biogenic C[C@@H](CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C)CCC[C@H](C)CC[C@H]1[C@H](C)CCCC1(C)C ZINC000085649487 KK Annotated Anodyne in-vitro biogenic C[C@@H](CCCC[C@@H](C)CCC[C@@H](C)CC[C@@H]1[C@H](C)CCCC1(C)C)CCC[C@H](C)CC[C@H]1[C@@H](C)CCCC1(C)C ZINC000085649492 KK Annotated Anodyne in-vitro biogenic CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000085661468 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/C2=C(C)C(=O)C(O)=CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085661470 KK Annotated Mild in-man endogenous CC1=CC(=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=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000085661482 KK Annotated Anodyne CC1=CC(=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=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C ZINC000085661486 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085661511 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085661513 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085661519 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085661522 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](/C=C/CCO)OC(C)=O ZINC000085661536 KK Annotated Mild COc1cc(O)c(C(Cc2c(OC(=O)c3ccccc3)cc(O)c(C)c2OC)c2c(O)cc(OC)c3c2O[C@H](c2ccccc2)CC3)c2c1CC[C@@H](c1ccccc1)O2 ZINC000085661660 KK Annotated Anodyne COc1cc(O[C@]2(c3ccccc3)OC=Cc3c(cc(O)c(C)c3OC)O2)cc2c1CC[C@@H](c1ccccc1)O2 ZINC000085661671 KK Annotated Anodyne COc1cc(O)c2cc1CC[C@@H](c1ccc(O)cc1)c1cc(c(OC)cc1O)CC[C@H](c1ccc(O)cc1)c1cc(c(OC)cc1O)CC[C@@H]2c1ccc(O)cc1 ZINC000085661677 KK Annotated Anodyne in-vitro biogenic CN1C[C@H](c2c[nH]c3c(Br)c(Br)cc(O)c23)NC[C@@H]1c1c[nH]c2cc(Br)ccc12 ZINC000085661693 KK Annotated Anodyne COc1cc(/C=C/C(=O)NCCCCN2CC(CC[C@@]3(C)[C@H](C)CC[C@@]4(C)C(C(=O)O)=CCC[C@H]34)=CC2=O)ccc1O ZINC000085663188 KK Annotated Anodyne CCO[C@](c1c[nH]c2cc(Br)ccc12)(c1cn(C(=O)OC)c2cc(Br)ccc12)S(=O)(=O)O ZINC000085663221 KK Annotated Anodyne Cc1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C)cc(O)c3C(=O)c3c(O)c(Cl)c(O)c(Cl)c31)c1c(Cl)c(O)c(Cl)c(O)c1C2=O ZINC000085665222 KK Annotated Anodyne CCO[C@@]12Oc3cc(O)c4c5c3-c3c(cc(O)c(c31)C(=O)c1c(O)cc(C)cc12)O[C@]5(OCC)c1cc(C)cc(O)c1C4=O ZINC000085665357 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(OC)c(c31)Oc1cc3c(cc1OC)CCN(C)[C@H]3C2 ZINC000085666513 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(O)c(c31)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000085666517 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2 ZINC000085666521 KK Annotated Anodyne in-vitro biogenic COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2 ZINC000085666525 KK Annotated Anodyne in-vitro biogenic Cc1cc(O)cc2c1C[C@H]1C[C@H](O)[C@@]3(C)Oc4cc(O)c(=O)cc(C)c4C[C@H]3CC(C)(C)/C=C/C[C@]1(C)O2 ZINC000085666574 KK Annotated Anodyne COc1cc(/C=C/C(=O)OC[C@@H]2c3cc(/C=C/COC(=O)/C=C/c4ccc(O)cc4)cc(OC)c3O[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000085667208 KK 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000085673612 KK 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=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000085673617 KK 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085673624 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085673628 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085673632 KK Annotated Bother 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@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085673635 KK Annotated Bother in-man CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000085673649 KK Annotated Mild in-man CC(=C/C=C/C=C(C)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000085673653 KK Annotated Mild in-man endogenous Nc1ccc(-c2cc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679140 KK Annotated Anodyne Cc1cccc(-c2ccc(Cn3cncc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)c1 ZINC000085679156 KK Annotated Anodyne Oc1ccc(-c2cc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679174 KK Annotated Anodyne c1ccc(-c2cc(NCc3cncn3Cc3ccc(-c4cccs4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679180 KK Annotated Anodyne CN(C)c1ccccc1-c1cc(NCc2cncn2Cc2ccc(-c3ccccc3)cc2N)ccc1Cl ZINC000085679189 KK Annotated Anodyne Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2N2CCOCC2)c1 ZINC000085679205 KK Annotated Anodyne c1ccc(-c2cc(NCc3cncn3Cc3ccc(-c4ccco4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000085679212 KK Annotated Anodyne COc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000085679219 KK Annotated Anodyne Cc1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)cc1 ZINC000085679246 KK Annotated Anodyne Clc1ccc(-c2ccc(Cn3cncc3CNc3ccc(-c4nc5ccccc5s4)c(-c4ccccc4)c3)cc2)cc1 ZINC000085679250 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@H](c1c[nH]c2ccc(C[C@@H]3OC3(C)C)cc12)C(C)(C)O ZINC000085701321 KK Annotated Mild CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000085722176 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000085722177 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000085727067 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)\C=C\C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085727069 KK Annotated Bother in-man endogenous CC[C@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@H]1C ZINC000085727283 KK Annotated Anodyne in-man CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@H]1C ZINC000085727284 KK Annotated Anodyne in-man CC[C@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@H]1C ZINC000085727288 KK Annotated Anodyne in-man CC[C@@H](C(=O)[C@@H](C)[C@H](O)[C@@H](C)[C@H]1O[C@@](O)(CC)[C@@H](C)C[C@H]1C)[C@@H]1O[C@](C)([C@@]23O[C@@H](C)[C@@](CC)(C[C@H]2C)O3)C[C@H]1C ZINC000085727292 KK Annotated Anodyne in-man COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@H](O)c1cc(C)cc(O)c1O2 ZINC000085727629 KK Annotated Anodyne in-vitro COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@H](O)c1cc(C)cc(O)c1O2 ZINC000085727635 KK Annotated Anodyne in-vitro COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@@H](O)c1cc(C)cc(O)c1O2 ZINC000085727639 KK Annotated Anodyne in-vitro COc1c([C@@H](CC(C)C)OC(C)=O)ccc2c1C(=O)O[C@@H](c1cc(C)cc(O)c1C(=O)c1c(O)ccc(CC=C(C)C)c1O)[C@@H](O)c1cc(C)cc(O)c1O2 ZINC000085727644 KK Annotated Anodyne in-vitro COC1=C(C)C(=O)C=C(C)[C@@]1(O)C(=O)Oc1c(C)c(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(OC)c(C(=O)O)c(C)c3C)c(O)c2C)c(O)c1Cl ZINC000085728339 KK Annotated Mild COC1=C(C)C(=O)C=C(C)[C@]1(O)C(=O)Oc1c(C)c(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(OC)c(C(=O)O)c(C)c3C)c(O)c2C)c(O)c1Cl ZINC000085728343 KK Annotated Mild COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)NCC5 ZINC000085733700 KK Annotated Anodyne COc1c(O)c2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)NCC5 ZINC000085733719 KK Annotated Anodyne COc1c(O)c2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)NCC5 ZINC000085733727 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c4c3Oc3cc5c(cc3O4)CCN[C@@H]5C2)CCN1C ZINC000085733735 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c4c3Oc3cc5c(cc3O4)CCN[C@H]5C2)CCN1C ZINC000085733739 KK Annotated Anodyne COC(=O)c1c(C)cc(OC(=O)c2c(C)cc(OC(=O)c3c(C)cc(OC(=O)c4c(C)cc(OC)cc4O)cc3O)cc2O)cc1O ZINC000085733902 KK Annotated Anodyne CCCCCCCCCCCCCCCc1cc(O[C@H]2O[C@@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000085735759 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000085735761 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@H]2O[C@@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000085735767 KK Annotated Mild CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@@H](C(=O)OC)[C@@H](O)[C@@H](O)[C@@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1 ZINC000085735770 KK Annotated Mild CC(=O)OC1=C(C)C(=O)C(O)=C(CCCCCCCCCCCCCCCC2=C(OC(C)=O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000085738125 KK Annotated Mild in-vitro biogenic CC(=O)OC1=C(C)C(=O)C(O)=C(CCCCCCCCCCCCCC2=C(OC(C)=O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000085738146 KK Annotated Mild in-vitro biogenic CC(=O)OC1=C(C)C(=O)C(O)=C(CCCCCCCCCCCCCCC2=C(OC(C)=O)C(=O)C(C)=C(O)C2=O)C1=O ZINC000085738151 KK Annotated Mild in-vitro biogenic COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@@]3(CO)C[C@]45CC[C@H]6C(C)(C)CCC[C@]6(C)[C@H]4CC[C@H]3C5)cc3c(c12)OCO3 ZINC000085738767 KK Annotated Bother C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@H]1C(=C)C=O ZINC000085738827 KK Annotated Reactive in-vitro biogenic C=C(C)[C@@H]1Cc2c(oc3c(C/C=C(\C)CCC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)-c2c(O)cc(O)c(O)c21 ZINC000085739877 KK Annotated Mild C=C(C)[C@H]1Cc2c(oc3c(C/C=C(\C)CCC=C(C)C)c4c(c(O)c3c2=O)C=CC(C)(C)O4)-c2c(O)cc(O)c(O)c21 ZINC000085739881 KK Annotated Mild in-vitro biogenic CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085739922 KK Annotated Mild in-man endogenous CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085739927 KK Annotated Mild in-man CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085739931 KK Annotated Mild in-man endogenous CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc(O)c(/C=C/C(C)C)c2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085739936 KK Annotated Mild in-man CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000085739940 KK Annotated Mild in-man CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000085739945 KK Annotated Mild in-man CC1=C[C@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000085739950 KK Annotated Mild in-man CC1=C[C@@H](c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000085739956 KK Annotated Mild in-man C=C(C)c1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c2c1[C@@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 ZINC000085739966 KK Annotated Mild in-man C=C(C)c1cc2c(=O)c3c(O)c4c(c(CC=C(C)C)c3oc2c2c1[C@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 ZINC000085739969 KK Annotated Mild in-man C=C(C)c1cc2c(=O)c3c(O)c4c(c(/C=C/C(C)(C)OO)c3oc2c2c1[C@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 ZINC000085739971 KK Annotated Reactive in-man C=C(C)c1cc2c(=O)c3c(O)c4c(c(/C=C/C(C)(C)OO)c3oc2c2c1[C@@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 ZINC000085739975 KK Annotated Reactive in-man C=CC(C)(C)n1cc(-c2c(O)c(OC)c(-c3cn(C(C)(C)C=C)c4ccccc34)c(O)c2OC)c2ccccc21 ZINC000085741793 KK Annotated Mild C=CC(C)(C)n1cc(-c2c(OC)c(OC)c(-c3cn(C(C)(C)C=C)c4ccccc34)c(OC)c2OC)c2ccccc21 ZINC000085741796 KK Annotated Mild C=C(C)/C=C/c1ccc2c(C3=C(O)C(=O)C(c4c[nH]c5cc(CC=C(C)C)ccc45)=C(O)C3=O)c[nH]c2c1 ZINC000085741829 KK Annotated Mild C=C(C)/C=C/c1ccc2c(C3=C(O)C(=O)C(c4c[nH]c5cc(/C=C/C(=C)C)ccc45)=C(O)C3=O)c[nH]c2c1 ZINC000085741831 KK Annotated Mild CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)[C@@H]2[C@](C)(C1)c1c(oc2cc(C)cc(O)c12)[C@H]3O ZINC000085741836 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)[C@@H]2[C@](C)(C1)c1c(oc2cc(C)cc(O)c12)[C@H]3O ZINC000085741841 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)[C@@H](O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@H]23 ZINC000085741845 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)[C@@H](O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@H]23 ZINC000085741851 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085741856 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085741860 KK Annotated Anodyne in-man endogenous CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@H]23 ZINC000085741867 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(C)cc(O)c5c4c3C)O[C@]3(O)C(=O)c4oc5cc(C)cc(O)c5c4[C@@](C)(C1)[C@H]23 ZINC000085741871 KK Annotated Anodyne in-man endogenous CC1=C[C@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000085741873 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@](C)(C1)[C@@H]23 ZINC000085741877 KK Annotated Anodyne in-man CC1=C[C@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085741881 KK Annotated Anodyne in-man CC1=C[C@@H]2c3c(cc4oc5cc(CO)cc(O)c5c4c3C)O[C@@]3(O)C(=O)c4oc5cc(CO)cc(O)c5c4[C@@](C)(C1)[C@@H]23 ZINC000085741885 KK Annotated Anodyne in-man CC(C)[C@@H]1Oc2cc(O)c3c(=O)c4cccc(Oc5ccc6c(=O)c7c(O)cc8c(c7n(C)c6c5O)C=CC(C)(C)O8)c4n(C)c3c2[C@H]1O ZINC000085742775 KK Annotated Bother O=C1O/C(=C\c2cc(O)c(=O)c3c(O)c(O)cc(/C=C4\OC(=O)C(c5ccccc5)=C4O)c3c2)C(O)=C1c1ccccc1 ZINC000085744265 KK Annotated Clean COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(O)cc4cc5oc(C)cc(=O)c5c(O)c4c3OC)c2c1 ZINC000085744299 KK Annotated Bother in-man CCc1oc(=O)c(Cc2c(OC(C)=O)c(CC=C(C)C)c(OC(C)=O)c(C(=O)C(C)C)c2OC)c(OC(C)=O)c1C ZINC000085744461 KK Annotated Anodyne C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085744632 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085744637 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085744643 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1 ZINC000085744647 KK Annotated Bother in-man C/C(=C/C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744650 KK Annotated Bother in-man endogenous C/C(=C/C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744654 KK Annotated Bother in-man endogenous C/C(=C/C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744660 KK Annotated Bother in-man endogenous C/C(=C/C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744663 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744667 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744674 KK Annotated Bother in-man endogenous C/C(=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)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744677 KK Annotated Bother in-man C/C(=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)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085744681 KK Annotated Bother in-man COc1cc(C)cc2c1C(=O)c1c(O)cc3oc4c(OC)cc(OC)c5c(O)c6c(c(c3c1C2=O)c45)C[C@@](C)(O)CC6=O ZINC000085744973 KK Annotated Clean COC(=O)/C=C1/C[C@H]2C[C@H]3CCC[C@@H](C[C@H](C)/C=C/[C@@H](C)[C@@H](/C=C/C=C\C=C(/C)CC(=O)OC)OC(=O)C[C@@H](C1)O2)O3 ZINC000085759604 KK Annotated Anodyne CC/C=C/C/C=C/C/C=C\CCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000085760235 KK Annotated Mild CCCCCCCC/C=C/CCCCCCCC(=O)OC/C=C(\COC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000085760244 KK Annotated Mild COc1c(O)c2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(c(O)c(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(C)CC2)CCN1C ZINC000085760459 KK Annotated Anodyne COc1ccc(CO)cc1Oc1ccc(C[C@H]2c3cc(Oc4c(O)c(OC)cc5cc[n+](C)cc45)c(OC)cc3CCN2C)cc1 ZINC000085760782 KK Annotated Anodyne COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3cc(Oc4c(O)c(OC)cc5cc[n+](C)cc45)c(OC)cc3CCN2C)cc1 ZINC000085760787 KK Annotated Anodyne CC(C)(O)[C@H](COc1c2occc2cc2ccc(=O)oc12)OC(C)(C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 ZINC000085761530 KK Annotated Anodyne CC1(C)O[C@H]1COc1c2c(cc3ccoc13)C=C[C@]1(O2)O[C@H](COc2c3occc3cc3ccc(=O)oc23)C(C)(C)O1 ZINC000085761541 KK Annotated Anodyne CC1(C)O[C@@H]1COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000085761575 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(OC)c2c1C/C(C)=C\CC/C(C)=C\C2 ZINC000085762727 KK Annotated Mild in-man COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc(O)c6c(=O)cc(C)oc6c5c4OC)c2c1)O[C@@](C)(O)CC3=O ZINC000085763455 KK Annotated Bother in-vitro COc1cc(OC)c2c(O)c3c(c(-c4c(OC)cc5cc(O)c6c(=O)cc(C)oc6c5c4OC)c2c1)O[C@](C)(O)CC3=O ZINC000085763456 KK Annotated Bother in-vitro Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(Oc4cc(O)c(-c5c(O)cc(O)cc5O)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000085766369 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)O)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000085768357 KK Annotated Mild in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O ZINC000085768364 KK Annotated Reactive in-man CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000085768365 KK Annotated Reactive in-man Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)cc(Oc4c(O)cc(Oc5c(O)cc(O)cc5O)cc4O)c3O)c(O)c2)c(O)c1 ZINC000085771747 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000085772792 KK Annotated Bother COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)[N+](C)([O-])CC3 ZINC000085772801 KK Annotated Bother COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085772803 KK Annotated Bother CCc1c(C)c2cc3[nH]c(c(CCC(=O)OC)c3C)c3c4nc(cc5[nH]c(cc1n2)c(C)c5CC)c(C)c4C(=O)[C@@H]3C(=O)OC ZINC000085772820 KK Annotated Bother C=C[C@@]12C(=O)[C@@](C)(O)[C@@H](C[C@@H]1c1cc3c(cc1C)CCc1c-3ccc(O)c1C)C1=C2c2ccc(O)c(C)c2CC1 ZINC000085772909 KK Annotated Mild COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(=NCC4)Cc1ccc(O)c(c1)-c1cc(ccc1OC)CC3=NCC2 ZINC000085773137 KK Annotated Anodyne in-vitro biogenic COc1cc2cc3c4c(cc(OC)c(OC)c4c2cc1OC)[C@H]1[C@H](c2c4c5c(cc6c(c5c5ccccc25)OCO6)CCN41)N3C ZINC000085773202 KK Annotated Bother COc1cccc2c1[nH]c1c(C(=O)CCC(=O)c3ncc(OC)c4c3[nH]c3c(OC)cccc34)ncc(OC)c12 ZINC000085773845 KK Annotated Anodyne O=C(/C=C/C=C/c1ccc2c(c1-c1cc(CC/C=C/C(=O)N3CCCCC3)cc3c1OCO3)OCO2)N1CCCCC1 ZINC000085774665 KK Annotated Anodyne O=C(/C=C\[C@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774738 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774740 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774742 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774745 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774747 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774749 KK Annotated Anodyne in-man O=C(/C=C\[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@@H]1/C=C/C=C/c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774750 KK Annotated Anodyne in-man O=C(/C=C\[C@@H]1[C@H](/C=C/C=C/c2ccc3c(c2)OCO3)[C@@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000085774752 KK Annotated Anodyne in-man O=C(/C=C/C=C/c1cc2c(c(-c3cc(CC/C=C/C(=O)N4CCCCC4)cc4c3OCO4)c1)OCO2)N1CCCCC1 ZINC000085774857 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=O)/C=C1\[C@H](O)[C@@H](C(=O)OC)[C@H](CCC)N1CCc1ccc(O)cc1 ZINC000085775650 KK Annotated Mild COc1cc(Oc2c3c(O)cc(OC)cc3c(OC)c3cc(C)oc(=O)c23)c2c(O)c3c(cc2c1)C[C@@H](C)OC3=O ZINC000085775986 KK 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=C/C=C(C)/C=C/[C@@H](O)C(C)(C)O)C(C)(C)[C@H](O)CC1 ZINC000085776149 KK Annotated Anodyne O[C@@H]([C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000085795206 KK Annotated Anodyne CC1=C[C@H](c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)[C@@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)CC1 ZINC000085798091 KK Annotated Bother in-man CC1=C[C@@H](c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)[C@@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)CC1 ZINC000085798093 KK Annotated Bother in-man CC(C)=C[C@@H]1C[C@@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)Oc2c1ccc1c(=O)c3c(O)ccc(O)c3oc21 ZINC000085798096 KK Annotated Bother in-man CC(C)=C[C@H]1C[C@@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)Oc2c1ccc1c(=O)c3c(O)ccc(O)c3oc21 ZINC000085798099 KK Annotated Bother in-man CC(C)=C[C@@H]1C[C@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)Oc2c1ccc1c(=O)c3c(O)ccc(O)c3oc21 ZINC000085798104 KK Annotated Bother in-man CC(C)=C[C@H]1C[C@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)Oc2c1ccc1c(=O)c3c(O)ccc(O)c3oc21 ZINC000085798105 KK Annotated Bother in-man CC(C)=CC[C@H]1C[C@]23C[C@H](C(C)(C)O)OC2=C(CCC(C)(C)O)C(=O)[C@@](C(=O)C(C)C)(C3=O)C1(C)C ZINC000085798123 KK Annotated Mild CC(C)=CC[C@@H]1C[C@@]2(C(=O)c3ccccc3)C(=O)[C@](CC=C(C)C)(C(=O)C3=C2O[C@@H](C(C)(C)O)C3)C1(C)C ZINC000085798160 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c4c(c13)Oc1cc3c(cc1O4)CCN=C3C2 ZINC000085798441 KK Annotated Anodyne O=C(CCCCCCCCc1cc(O)c(O)c(-c2cc(O)c(O)cc2CCCCCCCCC(=O)c2c(O)cccc2O)c1)c1c(O)cccc1O ZINC000085800422 KK Annotated Clean O=C1C(c2cc(Br)c(O)c(Br)c2)=C(c2cc(Br)c(O)c(Br)c2)C(=O)N1CCc1ccc(O)cc1 ZINC000085801738 KK Annotated Anodyne COc1c(O)c(O)c2c(=O)c3c(O)cccc3oc2c1-c1ccc(CC=C(C)C)c2oc3cc4c(cc3c(=O)c12)OC(C)(C)C=C4 ZINC000085802256 KK Annotated Clean in-vitro biogenic COc1c(O)cc(/C=C/c2cc(O)cc3c2[C@]2(C(=O)O3)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)cc2)c2c1OC(=O)[C@]21c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 ZINC000085802477 KK Annotated Anodyne CC(C)=CCc1c(CCc2ccc(O)cc2)c([C@H]2CC(C)(C)Oc3c(CC=C(C)C)c(CCc4ccc(O)cc4)cc(O)c32)c(O)c2c1OC(C)(C)C=C2 ZINC000085802493 KK Annotated Anodyne O=C1OC(=O)C(c2cc(Br)c(O)c(Br)c2)=C1c1cc(Br)c(O)c(Br)c1 ZINC000085807903 KK Annotated Reactive CCC1=CCCN(CCc2c([C@]3(C(=O)OC)CCC(C(=O)OC)=C4Nc5ccccc5[C@@]43CCN3CCC=C(CC)C3)[nH]c3ccccc23)C1 ZINC000085807907 KK Annotated Anodyne O=C(/C=C/c1ccc(O)c(O)c1)OCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000085809043 KK Annotated Clean COc1c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)C(C)C)c3OC)c(O)c(C(=O)C(C)C)c2O)c(O)c1C(=O)C(C)C ZINC000085810421 KK Annotated Anodyne O=C1C=C(c2ccc(O)cc2)[C@@]2(O1)O[C@@]1(OC(=O)C=C1c1ccc(O)cc1)C(c1ccc(O)cc1)=C2c1ccc(O)cc1 ZINC000085810749 KK Annotated Clean COc1ccc(C[C@@H]2c3cc(OC)c4c(c3CCN2C)OCO4)c(OC)c1Oc1c(OC)cc2c(c1OC)Cc1nccc3cc(OC)c(OC)c-2c13 ZINC000085810771 KK Annotated Anodyne CN(C)CCCOc1c(Br)cc(/C=C/C(=O)NCCCOc2c(Br)cc(CCN(C)C)cc2Br)cc1Br ZINC000085810835 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(O)c(O)c4)c(O)c3)c2)c(O)c1 ZINC000085811066 KK Annotated Clean Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(O)c(O)c4)c3)c(O)c2)c(O)c1 ZINC000085811070 KK Annotated Clean C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000085811216 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085811220 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000085811223 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CO)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085811226 KK Annotated Anodyne in-man endogenous C/C(=C/CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000085811230 KK Annotated Anodyne in-man endogenous C/C(=C/CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085811234 KK Annotated Anodyne in-man endogenous C/C(=C/CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000085811237 KK Annotated Anodyne in-man endogenous C/C(=C/CO)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085811240 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000085811244 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO)CC/C=C(/C)CC/C=C(\C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085811247 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C ZINC000085811252 KK Annotated Anodyne in-man endogenous C/C(=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CO)CC/C=C(/C)CC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C ZINC000085811254 KK Annotated Anodyne in-man endogenous CC(C)=CC[C@@]1(O)C(=O)C([C@H]2CC(C)(C)Oc3cc(O)c4c(=O)c5ccccc5[nH]c4c32)=C(O)c2c1n(C)c1ccccc1c2=O ZINC000085811264 KK Annotated Mild Cn1c2c(O)cccc2c(=O)c2c(O)cc3c(c21)C=C[C@](C)(COc1c(O)ccc2c(=O)c4c(O)cc5c(c4n(C)c12)C=CC(C)(C)O5)O3 ZINC000085811300 KK Annotated Bother in-vitro biogenic Oc1cc(O)c(Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4)c(O)c3)c2)c(O)c1 ZINC000085811408 KK Annotated Clean Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(Oc4cc(O)c(O)c(O)c4)c3)c(O)c2)c(O)c1 ZINC000085811411 KK Annotated Clean Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)c(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(O)c3)c2)c(O)c1 ZINC000085811414 KK Annotated Clean Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811652 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811658 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811679 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811750 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811753 KK Annotated Anodyne Oc1ccc(/C=C/c2c3c(cc4c2[C@@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O4)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811757 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/c2c3c(cc4oc(-c5cc(O)cc(O)c5)c(-c5ccc(O)cc5)c24)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811776 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/c2c3c(cc4oc(-c5ccc(O)cc5)c(-c5cc(O)cc(O)c5)c24)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000085811791 KK Annotated Anodyne COc1cc([C@@H]2Oc3c(cc4cc(-c5cc(O)cc(O)c5)oc4c3OC)[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000085811829 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H]2Oc3c(cc4cc(-c5cc(O)cc(O)c5)oc4c3OC)[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000085811831 KK Annotated Anodyne COc1cc(/C=C2\c3cc(O)cc(O)c3[C@H](c3ccc(O)c(OC)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O ZINC000085811875 KK Annotated Anodyne COc1cc(/C=C2\c3cc(O)cc(O)c3[C@H](c3ccc(O)cc3O)[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000085811887 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2 ZINC000085812122 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](OC(=O)c1ccccc1)[C@@](C)(O)[C@@H](C)C2 ZINC000085812129 KK Annotated Anodyne COc1cc2c(c3c1Oc1cc4c(cc1O3)C(=O)N(C)CC4)[C@H](Cc1ccc(Oc3cc(C=O)ccc3O)cc1)N(C)CC2 ZINC000085813371 KK Annotated Anodyne COc1cc2c(c3c1Oc1cc4c(cc1O3)C(=O)N(C)CC4)[C@@H](Cc1ccc(Oc3cc(C=O)ccc3O)cc1)N(C)CC2 ZINC000085813373 KK Annotated Anodyne in-vitro biogenic COC(=O)c1ccc(O)c(Oc2ccc(C[C@H]3c4c(cc(OC)c5c4Oc4cc6c(cc4O5)CCN(C)C6=O)CCN3C)cc2)c1 ZINC000085813379 KK Annotated Anodyne COc1ccc(C)cc1Oc1ccc(C[C@H]2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CCN2C)cc1 ZINC000085813393 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C(=O)C1=C2OC(C)(C)C=C1 ZINC000085814159 KK Annotated Mild in-man [O-]/[N+](CCCCCCCCCC/C=C\CCc1cccnc1)=N\CCCCCCCCCC/C=C\CCc1cccnc1 ZINC000085814350 KK Annotated Clean c1cncc(CCCCCCCCCCCCCN2O[C@@H](CCCCCCCCc3cccnc3)[C@H]3CCC[C@H]32)c1 ZINC000085814365 KK Annotated Anodyne C(=C\CCCN1O[C@@H](CCCCCCCCc2cccnc2)[C@H]2CCC[C@H]21)\CCCCCCCCc1cccnc1 ZINC000085814372 KK Annotated Anodyne c1cncc(CCCCCCCCCCCCN2O[C@@H](CCCCCCCCc3cccnc3)[C@H]3CCC[C@H]32)c1 ZINC000085814380 KK Annotated Anodyne CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000085814478 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C=C\C=C(C)\C=C2\C=C(/C=C/[C@]34O[C@@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000085814482 KK Annotated Mild in-man endogenous CC(C)=CC(=O)C/C(C)=C/CC/C(C)=C/CC1=C(O)C(=O)C(C)=C(c2oc(C=C(C)C)cc2CCC/C(C)=C/Cc2c(O)cc(C)cc2O)C1=O ZINC000085814850 KK Annotated Mild CC1=C[C@@H](c2cc([C@@H]3CC(=O)c4ccc(O)cc4O3)c(O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085827571 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3ccc4c(CCN(C)C)cc(OC)c(OC)c4c3cc2OC)cc1OC ZINC000085829942 KK Annotated Bother CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@@H]2[C@]1(C)CC[C@@]1(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000085830492 KK Annotated Mild in-man CCCCCCCC(=O)OCCC[C@H]1C(=C(C)C)CC[C@@H]2[C@]1(C)CC[C@@]1(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000085830495 KK Annotated Mild in-man CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C)CC[C@H]2[C@]1(C)CC[C@@]1(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000085830496 KK Annotated Mild in-man CCCCCCCC(=O)OCCC[C@H]1C(=C(C)C)CC[C@H]2[C@]1(C)CC[C@@]1(C)[C@@H]([C@@H](C)CCC=C(C)C)CC[C@]21C ZINC000085830499 KK Annotated Mild in-man CCCCCCCCCCCCCCCCCCC[C@H](CCCCCCCCCCC)OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000085831399 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000085832776 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000085832794 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@@H](OC(=O)/C=C\c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000085832819 KK Annotated Anodyne COCc1cc(Br)c(O)c(O)c1Cc1cc(Br)c(O)c(Cc2cc(Br)c(O)c(O)c2Cc2ccc(O)c(Br)c2)c1 ZINC000085834535 KK Annotated Clean investigational CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000085834848 KK Annotated Bother COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)N(C)CC4 ZINC000085834880 KK Annotated Anodyne in-vitro biogenic COc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)C(=O)N(C)CC4)CCN2C)cc1Oc1ccc(C=O)cc1 ZINC000085835407 KK Annotated Anodyne CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)O[C@@](C)(CC(=O)C=C(C)C)CC2 ZINC000085835834 KK Annotated Mild in-man endogenous CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCc1cc(OC)c2c(c1C=O)O[C@](C)(CC(=O)C=C(C)C)CC2 ZINC000085835835 KK Annotated Mild in-man endogenous COc1cc(Oc2cc(C/C=C(\C)CCC=C(C)C)c(O)c(OC)c2CC=C(C)C)c(C(=O)O)c(O)c1CC=C(C)C ZINC000085835853 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)[O-])Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000085835862 KK Annotated Bother COc1cc2c3c(c(-c4c5c6c(cc7c(c6c6ccccc46)OCO7)CCN5)c4ccccc4c3c1OC)N(C)CC2 ZINC000085836008 KK 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=C/[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085836016 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085836020 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085836023 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085836025 KK Annotated Mild in-man CCCCC1=C(Br)[C@]2(OC1=O)C(Br)(Br)C(Br)(Br)[C@@]21OC(=O)C(CCCC)=C1Br ZINC000085836089 KK Annotated Anodyne CCCCC1=C(Br)[C@]2(OC1=O)C(Br)(Br)C(Br)(Br)[C@]21OC(=O)C(CCCC)=C1Br ZINC000085836091 KK Annotated Anodyne O=C1C(Cl)=c2oc3c(c2-c2c(Cl)cc(Cl)c(O)c21)-c1c(Cl)cc(Cl)c(O)c1C(=O)C=3Cl ZINC000085836095 KK Annotated Anodyne CC(=O)Oc1c(Cl)cc(Cl)c2c1C(=O)C(Cl)=c1oc3c(c1-2)-c1c(Cl)cc(Cl)c(OC(C)=O)c1C(=O)C=3Cl ZINC000085836099 KK Annotated Anodyne Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4Oc4cc(O)c(O)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000085836933 KK Annotated Clean Oc1cc(O)c(Oc2cc(O)c(O)c(O)c2Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000085836948 KK Annotated Clean COC(C)(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)CC/C=C(\C)CCCC(C)(C)O ZINC000085836966 KK Annotated Bother COC(C)(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)CC/C=C(\C)CCCC(C)(C)OC ZINC000085836971 KK Annotated Bother COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(C)O ZINC000085836974 KK Annotated Bother Oc1cc(Cc2cc(O)c(O)c(Br)c2Cc2cc(O)c(O)c(Br)c2Br)c(Br)c(Br)c1O ZINC000085837179 KK Annotated Clean COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@H]3[N+](C)(C)CC2)[N+](C)(C)CC4 ZINC000085838786 KK Annotated Bother COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)-c1cc(ccc1OC)C[C@H]3[N+](C)(C)CC2)[N+](C)(C)CC4 ZINC000085838790 KK Annotated Bother 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@@H]1C(C)=C[C@H](O)CC1(C)C ZINC000085839916 KK Annotated Bother in-man endogenous 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@@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000085839932 KK Annotated Bother in-man endogenous 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@H]1C(C)=C[C@H](O)CC1(C)C ZINC000085839934 KK Annotated Bother in-man endogenous 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@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000085839938 KK Annotated Bother in-man endogenous O=C1C=C(c2cc(Br)c(O)c(Br)c2)[C@@](O)(Cc2cc(Br)c(O)c(Br)c2)O1 ZINC000085841145 KK Annotated Anodyne O=C1O[C@](O)(Cc2cc(Br)c(O)c(Br)c2)C(c2cc(Br)c(O)c(Br)c2)=C1Cl ZINC000085841154 KK Annotated Anodyne COc1cc2c(cc1O)CCN(C)[C@@H]2Cc1ccc(OC2=C[C@@]3(C=CC2=O)C[C@@H]2c4c(cc(OC)c(OC)c43)CCN2C)cc1 ZINC000085841552 KK Annotated Mild COc1cc(Cl)c(Oc2c(O)cc(Oc3c(Cl)cc(O)cc3Cl)c(OC)c2Oc2c(Cl)cc(O)cc2Cl)c(Cl)c1 ZINC000085841671 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000085843739 KK Annotated Bother in-man endogenous CC1=C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=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 ZINC000085843742 KK Annotated Bother in-man CC1=C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=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 ZINC000085843747 KK Annotated Bother in-man CC1=C[C@@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=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 ZINC000085843750 KK Annotated Bother in-man endogenous CC(C)=CC[C@]1(c2ccc(O)cc2O)C(=O)Oc2cc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)c2C1=O ZINC000085844922 KK Annotated Anodyne in-vitro biogenic CN1c2c(ccc3cc4c(cc23)OCO4)-c2ccc3c(c2[C@H]1CC(=O)C[C@@H]1c2c(ccc4c2OCO4)-c2ccc4cc5c(cc4c2N1C)OCO5)OCO3 ZINC000085844973 KK Annotated Anodyne in-vitro biogenic O=C(C1C(c2ccccc2)C(C(=O)N2C=C([C@@H]3CCCCN3)CCC2)C1c1ccccc1)N1C=C([C@@H]2CCCCN2)CCC1 ZINC000085845325 KK Annotated Anodyne CCCCC[C@@H](O)CCCCCC(=O)OC/C=C\c1cc(OC)c2oc3cc(OC)cc(O)c3c(=O)c2c1O ZINC000085845732 KK Annotated Bother in-vitro biogenic CO[C@@H](c1ccc(O)cc1O)[C@@H]1c2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc2O[C@@H]1c1ccc(O)cc1 ZINC000085846019 KK Annotated Mild CC[C@H](C)C1=C(OC(C)=O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(OC(C)=O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000085846097 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(OC(C)=O)c(OC(C)=O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1O ZINC000085846120 KK Annotated Mild CC[C@H](C)C1=C(O)[N+]2([O-])Oc3ccc(-c4c(O)c(O)c(-c5ccc(O)cc5)c(OC(C)=O)c4OC(C)=O)cc3O[C@]2([C@@H](C)CC)C(=O)N1OC ZINC000085846137 KK Annotated Mild C/C(=C/C=C/C=C/[C@@H](C)C(=O)O)NC(=O)C[C@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@@H](O)CC(C)C ZINC000085846301 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@@H](C)C(=O)O)NC(=O)C[C@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@H](O)CC(C)C ZINC000085846307 KK Annotated Anodyne in-vitro COc1cc2ccc(=O)oc2c(OC)c1OC[C@@H]1C(C)=CC(=O)[C@H]2C(C)(C)[C@H](OC(=O)CC(C)C)CC[C@]12C ZINC000085846523 KK Annotated Mild 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/[C@H](CCC(C)(C)O)C(C)(C)O)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O ZINC000085846552 KK Annotated Anodyne in-vitro CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@@H](C(=O)OCCCCCCCCC[C@H]4NC(=N)N5CCCC5=C4C(=O)OCCCCNC(=N)N)[C@@H](C)N=C(N1)N23 ZINC000085847311 KK Annotated Mild in-vitro COc1cccc2c1C(=O)c1ncc(-c3c4c(OC)cccc4c4c5c(cc6ccn(C)c3c64)OCO5)c3cc4c(c-2c13)OCO4 ZINC000085847771 KK Annotated Bother COc1cccc2c1C(=O)c1c3c-2c2c(cc3c(-c3c4c(OC)cccc4c4c5c(cc6ccn(C)c3c64)OCO5)c[n+]1C)OCO2 ZINC000085847776 KK Annotated Bother CCCC/C=C/CCCCCCCCCC1=C(c2c(O)cc(OC)cc2CCCCCCCCC/C=C/CCCC)C(=O)C=C(OC)C1=O ZINC000085847809 KK Annotated Mild COC1=C(C(C)C)[C@@]2(OC)Oc3c(cc(OC)c(C(C)C)c3OC)C[C@H]2[C@@]2(CCc3cc(OC)c(C(C)C)c(OC)c3O2)C1=O ZINC000085848693 KK Annotated Mild in-vitro biogenic CC(=O)Oc1cc2oc3c(OC(C)=O)c4c(oc5cc(OC(C)=O)c(OC(C)=O)cc54)c(OC(C)=O)c3c2cc1OC(C)=O ZINC000085848938 KK Annotated Bother O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c21 ZINC000085849272 KK Annotated Anodyne COc1cc2ccnc3c2c(c1O)Oc1ccc(cc1)C[C@@H]1c2c(cc(OC)c(OC)c2Oc2ccc(cc2)[C@H]3O)CCN1C ZINC000085849278 KK Annotated Anodyne Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(=O)C(/N=c1/c(=O)c3c(O)cc(C)c4c5c(c(O)c(c1=O)c43)C(C)(C)[C@@H](C)O5)=C2O ZINC000085849959 KK Annotated Mild COc1cc2c(=O)c3c(O)c(CC=C(C)C)c4c(c3oc2c2c1[C@@](C/C=C(\C)C(=O)O)(C(=O)O)OC2(C)C)C(C)(C)[C@H](C)O4 ZINC000085850144 KK Annotated Bother CC[C@H]1CCCN(CCc2c3n(c4ccccc24)[C@](C(=O)OC)(c2[nH]c4ccccc4c2CCN2CCC[C@@H](CC)C2)CC[C@@H]3C(=O)OC)C1 ZINC000085850588 KK Annotated Anodyne CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@@H]5c6c(cc(O)c7c(=O)c8ccc(O)c(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1 ZINC000085850685 KK Annotated Clean in-vitro CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@H]5c6c(cc(O)c7c(=O)c8cccc(O)c8oc67)O[C@@H]5C(C)(C)O)c(O)c4oc23)O1 ZINC000085850697 KK Annotated Bother CC1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O[C@@H]5c6c(cc(O)c7c(=O)c8cccc(O)c8oc67)O[C@H]5C(C)(C)O)c(O)c4oc23)O1 ZINC000085850700 KK Annotated Bother in-vitro CC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000085850832 KK Annotated Mild in-man CC(=O)C[C@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000085850838 KK Annotated Mild in-man CC(=O)C[C@@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000085850843 KK Annotated Mild in-man CC(=O)C[C@@H]1C[C@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)O1 ZINC000085850850 KK Annotated Mild in-man COc1ccc(C=O)cc1Oc1ccc(C[C@H]2c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5=O)OCO4)CCN2C)cc1 ZINC000085850880 KK Annotated Anodyne COc1ccc(C=O)cc1Oc1ccc(C[C@@H]2c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5=O)OCO4)CCN2C)cc1 ZINC000085850886 KK Annotated Anodyne in-vitro biogenic COc1ccc(CO)cc1Oc1ccc(C[C@H]2c3c(cc4c(c3Oc3cc5c(cc3OC)CCN(C)C5=O)OCO4)CCN2C)cc1 ZINC000085850892 KK Annotated Anodyne CC1=C(C2=C(C)C(=O)C(O)=C([C@@H](C)CC/C=C(/C)COC(=O)CC(C)C)C2=O)C(=O)C([C@@H](C)CC/C=C(/C)COC(=O)CC(C)C)=C(O)C1=O ZINC000085850953 KK Annotated Mild CC(C)=CCCC1=COC2=C(C)C(=O)C(=O)c3c(CCc4ccc5c6c4C(=O)C(=O)C(C)=C6OC=C5CCC=C(C)C)ccc1c32 ZINC000085851873 KK Annotated Mild NCCc1c(SSc2[nH]c3cc(Br)ccc3c2CCN)[nH]c2cc(Br)ccc12 ZINC000085851878 KK Annotated Reactive Cn1c2c(O)cccc2c(=O)c2c(O)c([C@H]3CC(C)(C)Oc4cc(O)c5c(=O)c6cccc(O)c6n(C)c5c43)c3c(c21)C=CC(C)(C)O3 ZINC000085852988 KK Annotated Bother in-man endogenous Cn1c2c(O)cccc2c(=O)c2c(O)c([C@@H]3CC(C)(C)Oc4cc(O)c5c(=O)c6cccc(O)c6n(C)c5c43)c3c(c21)C=CC(C)(C)O3 ZINC000085852994 KK Annotated Bother in-man endogenous O=C1C(O)=C(C2=C(O)C(=O)c3c(-c4ccccc4)ccc4cccc2c34)c2cccc3ccc(-c4ccccc4)c1c23 ZINC000085853136 KK Annotated Mild in-man O=C1C(O)=C(C2=C(O)C(=O)c3c(-c4ccc(O)cc4)ccc4cccc2c34)c2cccc3ccc(-c4ccc(O)cc4)c1c23 ZINC000085853142 KK Annotated Mild in-man endogenous CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2[nH]c2c(-c4c(O)c(C)cc5c4[nH]c4c6c(ccc45)O[C@](C)(CCC=C(C)C)C=C6)c(O)c(C)cc23)O1 ZINC000085853189 KK Annotated Anodyne CC(C)=CCC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2c(-c4cc5c(cc4O)[nH]c4c6c(c(C)cc45)O[C@](C)(CCC=C(C)C)C=C6)c(O)ccc23)O1 ZINC000085853281 KK Annotated Anodyne in-man CC(C)=CCC[C@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)O[C@](C)(CCC=C(C)C)C=C6)cc23)O1 ZINC000085853286 KK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)O[C@@](C)(CCC=C(C)C)C=C6)cc23)O1 ZINC000085853291 KK Annotated Anodyne in-man CC(C)=CCC[C@@]1(C)C=Cc2c(c(C)cc3c2[nH]c2cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)O[C@](C)(CCC=C(C)C)C=C6)cc23)O1 ZINC000085853295 KK Annotated Anodyne in-man COc1ccc2c([nH]c3c(-c4c(O)c(C)cc5c4[nH]c4c(C/C=C(\C)CCC=C(C)C)c(OC)ccc45)c(O)c(C)cc32)c1C/C=C(\C)CCC=C(C)C ZINC000085853395 KK Annotated Anodyne in-man Cc1cc2c([nH]c3cc(O)c(-c4c(O)ccc5c4[nH]c4c6c(c(C)cc45)OC(C)(C)C=C6)cc32)c2c1OC(C)(C)C=C2 ZINC000085853397 KK Annotated Anodyne C=CC(C)(C)c1c2c(c(O)c3cc([C@@H]4CC(C)(C)Oc5c4c(O)c4ccc(=O)oc4c5C(C)(C)C=C)c(=O)oc13)C=CC(C)(C)O2 ZINC000085853419 KK Annotated Mild C/C(=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(c(C)cc(O)c2-c2c(O)cc(C)c3c2CC[C@@](C)(CC/C=C(\C)CC/C=C(/C)C(=O)O)O3)O1)C(=O)O ZINC000085853532 KK Annotated Anodyne CC(C)=CCCc1c(C)ccc2c1C(=O)C(O)=C(C(C)C)[C@H]2[C@H]1c2c(C)ccc3cc(C(C)C)c(O)c(c23)O[C@@H]1C=C(C)C ZINC000085853558 KK Annotated Mild CC(C)c1cc2ccc3c(c2c(O)c1O[C@H]1CCC(C)(C)c2ccc4cc(C(C)C)c(=O)oc(=O)c4c21)C(=O)CCC3(C)C ZINC000085853589 KK Annotated Anodyne COc1ccc(C=O)cc1Oc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1 ZINC000085853592 KK Annotated Anodyne COc1cc2c(cc1Oc1c(OC)c(OC)cc3c1[C@H](Cc1ccc(Oc4cc(C=O)ccc4O)cc1)N(C)CC3)C(=O)N(C)CC2 ZINC000085853618 KK Annotated Anodyne COC(=O)c1ccc(O)c(Oc2ccc(C[C@H]3c4c(cc(OC)c(OC)c4Oc4cc5c(cc4OC)CCN(C)C5=O)CCN3C)cc2)c1 ZINC000085853635 KK Annotated Anodyne in-man COC(=O)c1ccc(O)c(Oc2ccc(C[C@@H]3c4c(cc(OC)c(OC)c4Oc4cc5c(cc4OC)CCN(C)C5=O)CCN3C)cc2)c1 ZINC000085853640 KK Annotated Anodyne in-man CCc1c(O)c2c(=O)c3c(O)cc(O)c4c3c3c2c(c1O)c1c(O)c(CC)c(O)c2c(=O)c5c(O)cc(O)c(c5c3c21)C4c1ccc(O)cc1 ZINC000085854043 KK Annotated Bother CCc1c(O)c2c(=O)c3c(O)c(C)c(O)c4c3c3c2c(c1O)c1c(O)c(C(C)C)c(O)c2c(=O)c5c(O)cc(O)c(c5c3c21)[C@@H]4c1ccc(O)cc1 ZINC000085854054 KK Annotated Bother Cc1c(O)c2c3c(c1O)c(=O)c1c(O)c(C(C)C)c(O)c4c5c(O)c(C(C)C)c(O)c6c(=O)c7c(O)cc(O)c(c7c(c65)c3c14)[C@H]2c1ccc(O)cc1 ZINC000085854066 KK Annotated Bother COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1cc(-c3c(O)cc(OC)c4c3CCc3cc(O)ccc3-4)c(O)cc1CC2 ZINC000085854118 KK Annotated Anodyne in-vitro biogenic COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1cc(-c3c(O)cc(OC)c4c3ccc3cc(O)ccc34)c(O)cc1CC2 ZINC000085854125 KK Annotated Bother in-vitro biogenic COc1cc([C@H]2O[C@@H](c3cc(OC)c(O[C@@H](C)[C@H](O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)[C@H](C)[C@H]2C)cc(OC)c1OC ZINC000085854275 KK Annotated Anodyne COc1cc([C@H]2O[C@@H](c3cc(OC)c(O[C@@H](C)[C@H](OC(C)=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)[C@H](C)[C@@H]2C)cc(OC)c1OC ZINC000085854296 KK Annotated Anodyne COc1cc(C[C@H](C)Oc2c(OC)cc([C@@H]3O[C@H](c4cc(OC)c(OC)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc(OC)c1OC ZINC000085854311 KK Annotated Anodyne in-vitro biogenic COc1cc(C[C@H](C)Oc2c(OC)cc([C@@H]3O[C@H](c4cc(OC)c(OC)c(OC)c4)[C@@H](C)[C@H]3C)cc2OC)cc(OC)c1OC ZINC000085854315 KK Annotated Anodyne in-vitro biogenic C[C@H](COC(=O)/C=C/c1ccccc1)CC(=O)c1c(O)c2c(c3c(-c4ccccc4)cc(=O)oc13)OC(C)(C)C=C2 ZINC000085859998 KK Annotated Anodyne C=C(C)[C@@H](Oc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(OC)cc3)oc2c1OC)[C@@H](O)c1c(OC)ccc2ccc(=O)oc12 ZINC000085860701 KK Annotated Mild CC(C)=C/C=C/[C@]12C(=O)c3c(O)ccc(O)c3C(=O)[C@H]1C1=C(C[C@@H]2C=C(C)C)C(=O)c2c(O)ccc(O)c2C1=O ZINC000085860711 KK Annotated Mild in-vitro biogenic CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C ZINC000085860732 KK Annotated Mild in-man CC(C)=CCC1=C2O[C@@H](C(C)(C)O)CC[C@@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C ZINC000085860735 KK Annotated Mild in-man CCCCCCCCCCCC(=O)OC[C@H](Cc1ccc2c(c1)OCO2)[C@H](CO)Cc1ccc2c(c1)OCO2 ZINC000085864785 KK Annotated Mild COc1cc(/C=C/C(=O)OC[C@H](Oc2ccc(/C=C/COC(=O)/C=C/c3ccc(O)cc3)cc2OC)[C@H](O)c2ccc(O)c(OC)c2)ccc1O ZINC000085865563 KK Annotated Anodyne C/C(=C\CC/C=C(\C)CC[C@H](O)[C@@](C)(O)CC[C@H](O)C(C)(C)O)CC/C=C(\C)CC[C@H](O)C(C)(C)O ZINC000085866092 KK Annotated Anodyne C#CCCCCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@H](O)C#C ZINC000085866405 KK Annotated Mild CC(=O)O[C@@H](C[C@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871870 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871874 KK Annotated Anodyne in-man CC(=O)O[C@H](C[C@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871878 KK Annotated Anodyne in-man CC(=O)O[C@H](C[C@@H]1C=C(C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871881 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@H]1C[C@@H](C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871900 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@H]1C[C@H](C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871904 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@@H]1C[C@@H](C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871909 KK Annotated Anodyne in-man CC(=O)O[C@@H](C[C@@H]1C[C@H](C)C(=O)O1)[C@@H](C)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]12COC(=O)C2 ZINC000085871913 KK Annotated Anodyne in-man COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(OC)c1Oc1cc3cc4c5c(c(OC)c(OC)c(OC)c5c3cc1OC)CCN4C)N(C)CC2 ZINC000085872010 KK Annotated Bother CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)C(=O)O2)[C@](C)(O)C1 ZINC000085872780 KK Annotated Anodyne CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000085872799 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000085872802 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@H](O)C1 ZINC000085872804 KK Annotated Mild in-man CC1=C(C#C/C(C)=C\C=C\C=C/C=C(C)/C=C2\C=C(/C=C/[C@@]3(O)C(C)(C)C[C@H](O)C[C@@]3(C)O)C(=O)O2)C(C)(C)C[C@@H](O)C1 ZINC000085872810 KK Annotated Mild in-man COc1c(Cc2cc(Cc3cc(Cc4ccccc4O)ccc3O)ccc2O)c(O)c(Cc2ccccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000085877451 KK Annotated Anodyne COc1c(Cc2ccccc2O)c(O)c(Cc2cc(Cc3cccc(Cc4ccccc4O)c3O)ccc2O)c(O)c1C(=O)CCc1ccccc1 ZINC000085877456 KK Annotated Anodyne CCO[C@@H](C[C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4)c1cc(OC)c(OC)cc1OC ZINC000085877795 KK Annotated Anodyne COc1cc2[nH]c3c(OC)c(OC)ccc3c(=O)c2c(O)c1[C@H]1CC(C)(C)Oc2cc(O)c3c(=O)c4cccc(O)c4n(C)c3c21 ZINC000085878577 KK Annotated Bother COc1cc([C@H](Oc2ccc(/C=C/COC(C)=O)cc2OC)[C@H](COC(C)=O)Oc2ccc(/C=C/COC(C)=O)cc2OC)ccc1O ZINC000085879819 KK Annotated Anodyne CC(C)=CC[C@H](/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]1C(C)=CC[C@@H](C/C=C(\C)CO)C1(C)C)C(C)(C)O ZINC000085880802 KK Annotated Anodyne CC(C)=CC[C@@H](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/C1=C(C)CC[C@H](C/C=C(\C)CO)C1(C)C)C(C)(C)O ZINC000085880836 KK Annotated Anodyne O=C(CCc1ccc(O)cc1)c1c(O)cc(O)c2c(C(=O)c3ccc(O)cc3O)c(-c3ccc(O)cc3)oc12 ZINC000085880883 KK Annotated Anodyne in-vitro biogenic O=C(/C=C\c1ccc(O)cc1)c1c(O)c(O)c(O)c2c(C(=O)c3ccc(O)cc3O)c(-c3ccc(O)cc3)oc12 ZINC000085880886 KK Annotated Mild in-vitro biogenic COC1=C(OC)[C@]2(OC)c3c(O)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](OC)C[C@H](c1ccccc1)O4 ZINC000085880987 KK Annotated Mild COC1=C(OC)[C@]2(OC)c3c(O)c(OC)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](O)C[C@H](c1ccccc1)O4 ZINC000085881002 KK Annotated Mild COC1=C(OC)[C@]2(OC)c3c(OC)c(O)c4c(c3O[C@@]23O[C@@H](c2ccccc2)CC=C3C1=O)[C@@H](OC)C[C@H](c1ccccc1)O4 ZINC000085881021 KK Annotated Mild CCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CCCCC/C(C)=C\C(=O)OCCS(=O)(=O)O ZINC000085881314 KK Annotated Mild C/C(=C/COc1c2occc2cc2ccc(=O)oc12)COC(C)(C)[C@H](O)COc1c2occc2cc2ccc(=O)oc12 ZINC000085881362 KK Annotated Anodyne CC1=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)[C@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000085881626 KK Annotated Mild in-man endogenous CC1=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)[C@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085881631 KK Annotated Mild in-man endogenous CC1=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)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000085881632 KK Annotated Mild in-man endogenous CC1=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)[C@@]2(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000085881635 KK Annotated Mild in-man CC(=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)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000085881673 KK Annotated Mild in-man endogenous CC(=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)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000085881674 KK Annotated Mild in-man endogenous CC(=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)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000085881677 KK Annotated Mild in-man CC(=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)/C=C/C(=O)[C@]1(C)C[C@H](O)CC1(C)C ZINC000085881680 KK Annotated Mild in-man CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C ZINC000085881713 KK Annotated Mild in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)[C@@]1(C)CC(=O)CC1(C)C)/C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C ZINC000085881717 KK Annotated Mild in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)[C@]1(C)CC(=O)CC1(C)C)/C=C/C(=O)[C@@]1(C)CC(=O)CC1(C)C ZINC000085881720 KK Annotated Mild in-man endogenous CC(=C/C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C/C(=O)[C@@]1(C)CC(=O)CC1(C)C)/C=C/C(=O)[C@@]1(C)CC(=O)CC1(C)C ZINC000085881722 KK Annotated Mild in-man endogenous 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=C(C)/C=C/[C@H](CC=C(C)C)C(C)(C)O ZINC000085881842 KK Annotated Anodyne CCCCC(=O)CC[C@H](C)CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](CCC)OC(C)=O ZINC000085881921 KK 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@@H]1C(C)=CCCC1(C)C ZINC000085882562 KK Annotated Bother in-man endogenous 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@H]1C(C)=CCCC1(C)C ZINC000085882563 KK Annotated Bother in-man endogenous CC1=CCCC(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=C/C=C(/C)CC[C@H]1OC1(C)C ZINC000085882566 KK Annotated Bother in-man endogenous CC1=CCCC(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=C/C=C(/C)CC[C@H]1OC1(C)C ZINC000085882569 KK Annotated Bother in-man endogenous CC1=CCCC(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=C/C=C(/C)CC[C@@H]1OC1(C)C ZINC000085882570 KK Annotated Bother in-man endogenous CC1=CCCC(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=C/C=C(/C)CC[C@@H]1OC1(C)C ZINC000085882574 KK Annotated Bother in-man endogenous CC1=CC(=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=C\[C@@H]1C(C)=CC(=O)CC1(C)C ZINC000085882793 KK Annotated Mild in-man CC1=CC(=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=C\[C@H]1C(C)=CC(=O)CC1(C)C ZINC000085882796 KK Annotated Mild in-man CC1=CC(=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=C\[C@H]1C(C)=CC(=O)CC1(C)C ZINC000085882800 KK Annotated Mild in-man CC1=CC(=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=C\[C@H]1C(C)=CC(=O)CC1(C)C ZINC000085882803 KK Annotated Mild in-man C=C1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000085882868 KK Annotated Mild in-man endogenous C=C1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000085882871 KK Annotated Mild in-man endogenous C=C1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000085882874 KK Annotated Mild in-man endogenous C=C1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000085882877 KK Annotated Mild in-man endogenous CC(=O)CCCC(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(=O)C(C)(C)CCCC(C)=O ZINC000085882899 KK Annotated Mild in-man endogenous COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3ccnc(c13)C2 ZINC000085882988 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3cc[n+](C)c(c13)C2 ZINC000085882991 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4ccnc(c14)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000085882994 KK Annotated Anodyne COc1cc2c(c(OC)c1)-c1cc(OC)cc3c1[C@@H](C2)c1cc(OC)c(OC)cc1[C@@H](c1ccc(OC)c(OC)c1)C3 ZINC000085883208 KK Annotated Anodyne COc1cc(OC)cc([C@@H]2c3c(cc(OC)c4c3ccc3cc(OC)c(OC)cc34)O[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000085883221 KK Annotated Bother COc1cc2c3cc1Oc1c4c(cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)N(C)CC5)OCO4 ZINC000085884599 KK Annotated Anodyne COc1cc(O)c2c(c1Cc1ccc(O)cc1)CCc1c(Cc3ccc(O)cc3)c(O)c(-c3ccccc3)c(O)c1-2 ZINC000085885712 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085886068 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085886071 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085886072 KK Annotated Anodyne 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(\CO)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000085886115 KK Annotated Mild in-vitro biogenic 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(\CO)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000085886125 KK Annotated Mild CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\CO)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000085886151 KK Annotated Mild CC1=C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\CO)C(=O)CC1=C(C)C[C@@H](O)CC1(C)C ZINC000085886157 KK Annotated Mild CC(C)=CCc1c(O)ccc([C@]23Oc4cc(O)ccc4-c4cc(C)cc(c42)-c2c(O)cc(-c4cc5ccc(O)cc5o4)cc2O3)c1O ZINC000085888448 KK Annotated Anodyne Cc1cc2c3c(c1)-c1c(O)cc(-c4cc5ccc(O)cc5o4)cc1O[C@]3(c1ccc(O)c(CCC(C)(C)O)c1O)Oc1cc(O)ccc1-2 ZINC000085888450 KK Annotated Anodyne COc1cc(O)c2c(c1)CCc1c-2cc(-c2c(OC)cc3c(c2O)-c2ccc(O)c(CC=C(C)C)c2CC3)c(O)c1CC=C(C)C ZINC000085889321 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)CC3=NCC2 ZINC000085894127 KK Annotated Anodyne in-vitro biogenic COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1O)CC3=NCC2 ZINC000085894130 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c(O)c(c13)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000085894661 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)Cc1c3c(c(O)c(OC)cc3cc[n+]1C)Oc1cc3c(cc1OC)CCN(C)[C@@H]3C2 ZINC000085894664 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c(O)c(c13)Oc1cc3c(cc1OC)CCN=C3C2 ZINC000085894679 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C(=NCC2)C3=O)N(C)CC4 ZINC000085894688 KK Annotated Anodyne C=C1C(=O)O[C@](C)(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@H]1O ZINC000085896692 KK Annotated Mild CCCCCCCCCCCCCCCCC[C@@]1(C)OC(=O)[C@@H](CN2C(=O)CC[C@H]2C(=O)OC)[C@@H]1O ZINC000085896787 KK Annotated Mild O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000085897741 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@@]12O ZINC000085897742 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000085897746 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@@]12O ZINC000085897747 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@H]2[C@@H]3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000085897751 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@H]2[C@@H]3c5c(ccc6ccc(-c7ccccc7)c(c56)C(=O)[C@]3(O)O4)O[C@@]12O ZINC000085897753 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000085897756 KK Annotated Anodyne in-man O=C1c2c(-c3ccccc3)ccc3ccc4c(c23)[C@@H]2[C@@H]3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)[C@]3(O)O4)O[C@@]12O ZINC000085897758 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@H]2[C@@H]3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000085897762 KK Annotated Anodyne in-man O=C1c2c(-c3ccc(O)cc3)ccc3ccc4c(c23)[C@@H]2[C@H]3c5c(ccc6ccc(-c7ccc(O)cc7)c(c56)C(=O)[C@]3(O)O4)O[C@]12O ZINC000085897764 KK Annotated Anodyne in-man CC(=O)Oc1cc(CCCCCCCCCCCCCCc2cc(OC(C)=O)c(C)c(OC(C)=O)c2)cc(OC(C)=O)c1C ZINC000085898397 KK Annotated Anodyne CO[C@@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@@]21C ZINC000085899886 KK Annotated Anodyne in-vitro biogenic CO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1Oc1cc2c(cc1C(C)C)C=C[C@H]1C(C)(C)CCC[C@@]21C ZINC000085899888 KK Annotated Anodyne CC1=C(CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2sccc2C1=O ZINC000085900080 KK Annotated Mild C=Cc1c(C(=O)OC)c2cc3[nH]c(cc4nc(c(/C=C/C(=O)O)c4C)c4c5[nH]c(cc1n2)c(C)c5C(=O)[C@@H]4C(=O)OC)c(C)c3C=C ZINC000085904007 KK Annotated Bother COc1c(O)ccc2c(=O)c3c(O)c([C@@H]4c5c(cc(O)c6c(=O)c7ccc(O)c(OC)c7n(C)c56)O[C@@H]4C(C)(C)O)c4c(c3n(C)c12)C=CC(C)(C)O4 ZINC000085907231 KK Annotated Bother in-man COc1c(O)ccc2c(=O)c3c(O)c([C@H]4c5c(cc(O)c6c(=O)c7ccc(O)c(OC)c7n(C)c56)O[C@@H]4C(C)(C)O)c4c(c3n(C)c12)C=CC(C)(C)O4 ZINC000085907233 KK Annotated Bother in-man COc1c(O)ccc2c(=O)c3c(O)c([C@@H]4c5c(cc(O)c6c(=O)c7ccc(O)c(OC)c7n(C)c56)O[C@H]4C(C)(C)O)c4c(c3n(C)c12)C=CC(C)(C)O4 ZINC000085907237 KK Annotated Bother in-man COc1c(O)ccc2c(=O)c3c(O)c([C@H]4c5c(cc(O)c6c(=O)c7ccc(O)c(OC)c7n(C)c56)O[C@H]4C(C)(C)O)c4c(c3n(C)c12)C=CC(C)(C)O4 ZINC000085907240 KK Annotated Bother in-man Brc1ccc2c(CNCCSCCNCc3c[nH]c4cc(Br)ccc34)c[nH]c2c1 ZINC000085907243 KK Annotated Anodyne C=CC(C)(C)c1c2c3c(c4ccc(=O)oc14)O[C@](C)(/C=C/c1c(O)ccc4ccc(=O)oc14)C[C@H]3CC(C)(C)O2 ZINC000085907418 KK Annotated Mild C=CC(C)(C)c1c2c3c(c4ccc(=O)oc14)O[C@@](C)(/C=C/c1c(OC)ccc4ccc(=O)oc14)C[C@@H]3CC(C)(C)O2 ZINC000085907437 KK Annotated Mild C=CC(C)(C)c1c2c3c(c4ccc(=O)oc14)O[C@@](C)(/C=C/c1cc4ccc(=O)oc4cc1O)C[C@@H]3CC(C)(C)O2 ZINC000085907443 KK Annotated Mild COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(O)c(c(OC)c3CC[N+]1(C)C)Oc1cc3c(cc1OC)CC[N+](C)=C3C2 ZINC000085907895 KK Annotated Bother COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN=C4C2)CCN1C ZINC000085908064 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(cc(OC)c(O)c3Oc3cc4c(cc3OC)CCN=C4C2)CCN1C ZINC000085908073 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(O)c4c(c31)Oc1c(OC)cc3c(c1O4)[C@H](C2)[N+](C)([O-])CC3 ZINC000085908104 KK Annotated Bother CC/C=C/[C@@](C)(O)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]3[C@H](C)[C@H](C)CC[C@]3(C)CC[C@@]21C ZINC000085915464 KK Annotated Anodyne in-man CC/C=C/[C@](C)(O)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]3[C@H](C)[C@H](C)CC[C@]3(C)CC[C@@]21C ZINC000085915466 KK Annotated Anodyne in-man CC/C=C/[C@@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]3[C@H](C)[C@H](C)CC[C@]3(C)CC[C@@]21C ZINC000085915469 KK Annotated Anodyne in-man CC/C=C/[C@](C)(O)OC[C@]1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]3[C@H](C)[C@H](C)CC[C@]3(C)CC[C@@]21C ZINC000085915472 KK Annotated Anodyne in-man CCC[C@H]1Cc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)C[C@@H](CCC)OC6=O)c(O)cc(O)c3c(O)c2C(=O)O1 ZINC000085916462 KK Annotated Anodyne Cc1c(O)c(C(=O)C(C)C)c2c(c1O)[C@H]1Oc3c(C)c(O)c(C(=O)C(C)C)c4c3[C@H](CC(C)(C)O4)[C@H]1C(C)(C)O2 ZINC000085916794 KK Annotated Anodyne CC(C)=CC[C@]12C[C@@H](/C=C/C(C)(C)O)C(C)(C)[C@](C(=O)c3ccccc3)(C(=O)C3=C1O[C@H](C(C)(C)O)C3)C2=O ZINC000085916842 KK Annotated Mild Cc1cc(O)c2c(=O)c3c(O)c(Cl)c(O)c4c5c(O)c(Cl)c(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 ZINC000085916874 KK Annotated Bother CCCCCCCc1cc(OC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CCCCC)cc(OC)c1C(=O)O ZINC000085916930 KK Annotated Mild CCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917307 KK Annotated Mild in-man CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917319 KK Annotated Mild in-man CCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917322 KK Annotated Mild in-man CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917325 KK Annotated Mild in-man CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917331 KK Annotated Mild in-man CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917333 KK Annotated Mild in-man CCCCCCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917336 KK Annotated Mild in-man CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@H]2CC[C@@H]2[C@@H]4[C@H](C)C(C)=CC[C@]4(C)[C@H](O)C[C@@]23C)C1(C)C ZINC000085917342 KK Annotated Mild in-man CC[C@@]12C=CCN3CCc4c(n(c5ccccc45)[C@H](c4cc5c(cc4OC)NC4=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]45[C@@H]76)C1)[C@H]32 ZINC000085921407 KK Annotated Anodyne CC[C@@]12C=CCN3CCc4c(n(c5ccccc45)[C@H](c4cc5c(cc4O)NC4=C(C(=O)OC)C[C@]6(CC)C=CCN7CC[C@@]45[C@@H]76)C1)[C@H]32 ZINC000085921418 KK Annotated Clean COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)OCO5)N(C)CC4 ZINC000085921436 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1cc5c(c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)OCO5)N(C)CC4 ZINC000085921439 KK Annotated Anodyne O=C(Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1)c1ccccc1 ZINC000085921663 KK Annotated Anodyne in-vitro biogenic O=C(Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1)c1ccccc1 ZINC000085921664 KK Annotated Anodyne in-vitro biogenic CC(=O)Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1-c1ccc(O)cc1 ZINC000085921668 KK Annotated Anodyne in-vitro biogenic CCCCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921670 KK Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921674 KK Annotated Anodyne in-vitro biogenic CC(C)[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921676 KK Annotated Anodyne O=C(Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1)c1ccc(O)cc1 ZINC000085921680 KK Annotated Anodyne in-vitro biogenic O=C(Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2cccnc2)c(O)c1-c1ccc(O)cc1)c1ccccc1 ZINC000085921681 KK Annotated Anodyne in-vitro biogenic CC(C)[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000085921684 KK Annotated Anodyne in-vitro biogenic CC(C)[C@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000085921687 KK Annotated Anodyne O=C(Cc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000085921691 KK Annotated Anodyne in-vitro biogenic O=C(Cc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921694 KK Annotated Anodyne in-vitro biogenic O=C(Cc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000085921700 KK Annotated Anodyne in-vitro biogenic O=C(Cc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(O)c(OC(=O)Cc2ccccc2)c1-c1ccc(O)cc1 ZINC000085921703 KK Annotated Anodyne O=C(Cc1ccccc1)Oc1ccc(-c2c(O)c(O)c(-c3ccc(OC(=O)Cc4ccccc4)cc3)c(O)c2O)cc1 ZINC000085921704 KK Annotated Clean in-vitro biogenic O=C(CCc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccccc2)c(O)c1-c1ccc(O)cc1 ZINC000085921733 KK Annotated Anodyne in-vitro biogenic CSc1[nH]c2cc(Br)cc(Br)c2c1-c1c(Br)[nH]c2cc(Br)cc(Br)c12 ZINC000085921938 KK Annotated Anodyne CCCCC1=C(Br)[C@@]2(OC1=O)O[C@]1(OC(=O)C(CCCC)=C1Br)C(Br)=C2Br ZINC000085921951 KK Annotated Clean CO[C@@H]1c2c(Br)c(Br)c(O)c(O)c2[C@@H](OC)c2c(Br)c(Br)c(O)c(O)c21 ZINC000085921991 KK Annotated Clean CC1=C(C#C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000085922567 KK Annotated Mild in-man endogenous CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085922579 KK Annotated Mild CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)O ZINC000085922638 KK Annotated Bother COC(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)/C=C/C=C(\C)CCCC(C)(C)OC ZINC000085922645 KK Annotated Bother COc1ccc(-c2cc(-c3cc(-c4ccc(OC)cc4)c4c5c(cc(OC)c(OC)c35)CC[C@@H]4OC)c3c(OC)c(OC)cc4c3c2[C@@H](OC)CC4)cc1 ZINC000085923765 KK Annotated Anodyne COc1ccc(-c2c(OC)c(-c3c(OC)c(-c4ccc(OC)cc4)c4c5c(ccc(OC)c35)CC[C@H]4OC)c3c(OC)ccc4c3c2[C@@H](OC)CC4)cc1 ZINC000085923772 KK Annotated Anodyne COc1ccc2c3c(c(-c4ccccc4)c(-c4c(-c5ccccc5)c5c6c(ccc(OC)c6c4OC)CC[C@H]5OC)c(OC)c13)[C@@H](OC)CC2 ZINC000085923783 KK Annotated Anodyne COc1ccc(-c2c(-c3c(-c4ccc(OC)cc4)c4c5c(ccc(OC)c5c3OC)CC[C@H]4OC)c(OC)c3c(OC)ccc4c3c2[C@@H](OC)CC4)cc1 ZINC000085923791 KK Annotated Anodyne COc1ccc(-c2c(-c3cc(-c4ccccc4)c4c5c(cc(OC)c(OC)c35)CC[C@@H]4OC)c(OC)c3c(OC)ccc4c3c2[C@H](OC)CC4)cc1 ZINC000085923800 KK Annotated Anodyne COc1ccc(-c2c(-c3c(OC)c(-c4ccccc4)c4c5c(ccc(OC)c35)CC[C@@H]4OC)c(OC)c3c(OC)ccc4c3c2[C@H](OC)CC4)cc1 ZINC000085923822 KK Annotated Anodyne C=CCCCCCCC[C@@H](OC(=O)CCCCCCCCCCCCC)[C@H]1C[C@H](O)[C@H](CCCCC)O1 ZINC000085924337 KK Annotated Mild C=CCCCCCCC[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H]1C[C@H](O)[C@H](CCCCC)O1 ZINC000085924379 KK Annotated Mild C=CCCCCCCC[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1C[C@H](O)[C@H](CCCCC)O1 ZINC000085924414 KK Annotated Mild CCCc1cc(O)c2c(c1)[C@H]([C@@H]1c3cc(O)cc(O)c3C(=O)c3c(O)cc(CCC)cc31)c1cc(O)cc(O)c1C2=O ZINC000085924426 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085925699 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085925705 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000085925712 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000085925717 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000085926026 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C\C=C(C)/C=C/C=C(C)\C=C\[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085926030 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000085926035 KK Annotated Bother in-man CC(=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)/C=C/C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O ZINC000085926038 KK Annotated Bother in-man COc1cc2c(cc1Oc1c(OC)c(OC)cc3c1[C@H](Cc1ccc(OC)c(Oc4ccc(C=O)cc4)c1OC)N(C)CC3)C(=O)N(C)CC2 ZINC000085926461 KK Annotated Anodyne COc1cc2c(cc1Oc1c(OC)c(OC)cc3c1[C@H](Cc1ccc(O)c(Oc4ccc(C=O)cc4)c1)N(C)CC3)C(=O)N(C)CC2 ZINC000085926468 KK Annotated Anodyne COc1cc2c(cc1Oc1c(OC)c(OC)cc3c1[C@@H](Cc1ccc(O)c(Oc4ccc(C=O)cc4)c1)N(C)CC3)C(=O)N(C)CC2 ZINC000085926474 KK Annotated Anodyne COc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1Oc1ccc(C(=O)O)cc1 ZINC000085926485 KK Annotated Anodyne COc1ccc(C[C@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1Oc1ccc(C=O)cc1 ZINC000085926503 KK Annotated Anodyne in-man COc1ccc(C[C@@H]2c3c(cc(OC)c(OC)c3Oc3cc4c(cc3OC)CCN(C)C4=O)CCN2C)cc1Oc1ccc(C=O)cc1 ZINC000085926508 KK Annotated Anodyne in-man COc1cc2c3cc1Oc1cc(ccc1O)C[C@@H]1c4c(cc5c(c4Oc4ccc(cc4)C[C@H]3N(C(C)=O)CC2)OCO5)CCN1C ZINC000085926639 KK Annotated Anodyne COc1ccc2cc1Oc1cc3c(cc1OC)CCN(C(C)=O)[C@@H]3Cc1ccc(cc1)Oc1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3 ZINC000085926641 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)[C@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1 ZINC000085927836 KK 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=C/C2=C(C)C(=O)[C@@H](O)[C@H](O)C2(C)C)C(C)(C)C[C@H](O)C1 ZINC000085927923 KK 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@@H]1[C@H](C(C)(C)O)CC[C@@]1(C)O ZINC000085930281 KK Annotated Bother in-man endogenous 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@H]1[C@H](C(C)(C)O)CC[C@@]1(C)O ZINC000085930284 KK Annotated Bother in-man endogenous 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@@H]1[C@@H](C(C)(C)O)CC[C@@]1(C)O ZINC000085930290 KK Annotated Bother in-man endogenous 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@H]1[C@@H](C(C)(C)O)CC[C@@]1(C)O ZINC000085930295 KK Annotated Bother in-man endogenous COC(C)(C)[C@@H]1CC[C@@](C)(O)[C@H]1/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)CCC=C(C)C ZINC000085930303 KK Annotated Anodyne COc1cc2c(c(Br)c1OC)Cc1cc(OC)c(OC)c(Br)c1Cc1cc(OC)c(OC)c(Br)c1C2 ZINC000085931410 KK Annotated Anodyne CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000085931484 KK Annotated Bother in-man CC(=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]12O[C@@H](CC1(C)C)C[C@@]2(C)O)/C=C/C=C(C)\C=C\[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O ZINC000085931487 KK Annotated Bother in-man CC(=O)c1ccc2c(c1O)-c1c(O)ccc3c1[C@](C)(C[C@@]1(Oc4ccc(C(C)=O)c(O)c4-c4c(O)ccc(O)c41)O3)O2 ZINC000085931835 KK Annotated Anodyne C[N+]1(C)C=Cc2cc3c(c4c2c1c(-c1c2c5c(cc6c(c5c5c7c(ccc15)OCO7)OCO6)C=C[N+]2(C)C)c1ccc2c(c14)OCO2)OCO3 ZINC000085932685 KK Annotated Bother COc1c2ccoc2c(OC[C@H]2O[C@@]3(C=Cc4cc5ccoc5c(OCC=C(C)C)c4O3)OC2(C)C)c2oc(=O)ccc12 ZINC000085932869 KK Annotated Anodyne in-vitro biogenic COc1c2ccoc2c(OC[C@@H]2O[C@@]3(C=Cc4cc5ccoc5c(OCC=C(C)C)c4O3)OC2(C)C)c2oc(=O)ccc12 ZINC000085932879 KK Annotated Anodyne COc1c2c(c(OC[C@@H]3OC3(C)C)c3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000085932905 KK Annotated Anodyne COc1c2c(c(OC[C@H]3OC3(C)C)c3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000085932907 KK Annotated Anodyne in-vitro biogenic COc1cc(O)ccc1CC[C@H](c1ccc(O)cc1)c1cc(CC[C@H](c2ccc(O)cc2)c2cc3c(cc2O)O[C@H](c2ccccc2)CC3)c(O)cc1OC ZINC000085933091 KK Annotated Anodyne CO[C@@H]1C[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000085934005 KK Annotated Anodyne in-man CO[C@@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000085934020 KK Annotated Anodyne in-man endogenous COc1cc2c3cc1Oc1c(OC)cc4c(c1O)C(=[N+](C)CC4)Cc1cc4c(c(c1)Oc1ccc(cc1)/C=C\3N(C)C=C2)OCO4 ZINC000085934838 KK Annotated Anodyne O=C(c1c(O)cc(O)cc1O)c1c(-c2ccc(O)cc2)oc2cc(O)c3c(c12)O[C@@H](c1ccc(O)cc1)CC3 ZINC000085934849 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1CC(C)=C[C@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]12 ZINC000085935062 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000085935760 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000085935771 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)N1CC[C@](O)(c2cc(O)c(Br)c(Br)c2)C1=O ZINC000085935784 KK Annotated Mild COc1c(O)c(-c2c(O)c(OC)c(OC)c3c2cc(OC)c2cc(O)ccc23)c2cc(OC)c3cc(O)ccc3c2c1OC ZINC000085936504 KK Annotated Bother COc1c(O)cc2cc(OC)c3c(-c4c(O)c(OC)c(OC)c5c4cc(OC)c4cc(O)ccc45)c(O)ccc3c2c1OC ZINC000085936506 KK Annotated Bother COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3N(C)CC2)CCN1C ZINC000085941286 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000085942913 KK Annotated Reactive CCCCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C ZINC000085942938 KK Annotated Reactive CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C ZINC000085942951 KK Annotated Reactive C[C@@H](Cc1ccc(O)cc1)[C@@H](C)[C@@H](c1ccc(O)cc1)c1c(O)cc(O)c(C(=O)CCc2ccc3c(c2)OCO3)c1O ZINC000085943011 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)[C@H](C/C=C/c2ccc(O)cc2)C3)cc1 ZINC000085943057 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@H](c2ccc(O)cc2)[C@@H](C/C=C/c2ccc(O)cc2)C3)cc1 ZINC000085943059 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)cc2)[C@@H](C/C=C/c2ccc(O)cc2)C3)cc1 ZINC000085943063 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(OC)c3c2O[C@@H](c2ccc(O)cc2)[C@H](C/C=C/c2ccc(O)cc2)C3)cc1 ZINC000085943069 KK Annotated Anodyne COc1ccc(CCC(=O)c2c(O)cc(O)c([C@H](c3ccc(O)cc3)[C@H](C)[C@@H](C)Cc3ccc(O)cc3)c2O)cc1 ZINC000085943079 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@@]21C ZINC000085943438 KK Annotated Mild in-man CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@@]21C ZINC000085943440 KK Annotated Mild in-man CC1(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@@]21C ZINC000085943445 KK Annotated Mild in-man CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC(=O)[C@H]2[C@H]3C[C@@](C)(C=O)[C@H](OC(=O)c4ccccc4)C[C@]3(C)[C@@H](O)C[C@@]21C ZINC000085943449 KK Annotated Mild in-man CC1=C[C@@H]2c3c(CCN(C)C)c4ccccc4n3[C@@H](c3[nH]c4ccccc4c3CCN(C)C)[C@@H]2C(C)(C)C1 ZINC000085943635 KK Annotated Anodyne Oc1cc2c(cc1Cl)-c1ccc(cc1O)/C(Cl)=C\c1cc(Cl)c(O)c(c1)-c1cc(ccc1O)CC2 ZINC000085947354 KK Annotated Anodyne Oc1ccc2cc1-c1cc(ccc1O)CCc1c(cc(Cl)c(O)c1Cl)-c1ccc(c(Cl)c1O)/C=C\2 ZINC000085947357 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1-c1cc(ccc1O)/C=C\c1ccc(c(O)c1Cl)-c1cc(Cl)c(O)c(Cl)c1CC2 ZINC000085947359 KK Annotated Anodyne in-vitro biogenic Oc1ccc2cc1-c1cc(cc(Cl)c1O)CCc1c(cc(Cl)c(O)c1Cl)-c1ccc(c(Cl)c1O)/C=C\2 ZINC000085947361 KK Annotated Anodyne in-vitro biogenic Oc1cc2c(cc1Cl)-c1ccc(c(Cl)c1O)/C(Cl)=C\c1cc(Cl)c(O)c(c1)-c1cc(ccc1O)CC2 ZINC000085947362 KK Annotated Anodyne Oc1ccc2cc1-c1cc(cc(Cl)c1O)/C=C(/Cl)c1cc(O)c(cc1Cl)-c1ccc(O)c(Cl)c1CC2 ZINC000085947364 KK Annotated Anodyne Oc1c(Cl)cc2cc1-c1cc(cc(Cl)c1O)CCc1c(cc(Cl)c(O)c1Cl)-c1ccc(c(Cl)c1O)/C=C\2 ZINC000085947366 KK Annotated Anodyne in-vitro biogenic Oc1ccc2cc1-c1cc(cc(Cl)c1O)/C=C(/Cl)c1c(Cl)cc(c(O)c1Cl)-c1ccc(O)c(Cl)c1CC2 ZINC000085947367 KK Annotated Anodyne COc1ccc2cc1-c1cc(cc(Cl)c1O)/C=C\c1c(Cl)cc(c(O)c1Cl)-c1cc(Cl)c(O)c(Cl)c1CC2 ZINC000085947369 KK Annotated Anodyne in-vitro biogenic Oc1cc2c(cc1Cl)-c1cc(Cl)c(c(Cl)c1O)/C(Cl)=C\c1cc(Cl)c(O)c(c1)-c1cc(cc(Cl)c1O)CC2 ZINC000085947370 KK Annotated Anodyne Oc1c(Cl)cc2cc1-c1cc(cc(Cl)c1O)/C(Cl)=C(/Cl)c1c(Cl)cc(c(O)c1Cl)-c1cc(Cl)c(O)c(Cl)c1CC2 ZINC000085947372 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085948053 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085948057 KK Annotated Anodyne in-vitro COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3cc4c5c(cc(OC)c(OC)c5c3cc2OC)CCN4C)cc1OC ZINC000085948144 KK Annotated Bother COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3cc4c5c(cc(OC)c(OC)c5c3cc2OC)CCN4C)cc1OC ZINC000085948147 KK Annotated Bother COc1cc2c(cc1O)[C@H](Cc1cc(OC)c(OC)cc1Oc1cc3cc4c5c(cc(OC)c(OC)c5c3cc1OC)CCN4C)N(C)CC2 ZINC000085948152 KK Annotated Bother COc1cc2c(cc1OC)[C@H](Cc1cc(OC)c(OC)c(Oc3ccc(C[C@@H]4c5cc(OC)c6c(c5CCN4C)OCO6)cc3)c1)N(C)CC2 ZINC000085948181 KK Annotated Anodyne COC1=CC(=O)c2c(ccc3cc(O)cc(-c4c(OC)cc(O)c5c4ccc4c(OC)c(O)ccc45)c23)C1=O ZINC000085948772 KK Annotated Mild COc1cc(O)c([C@@H](/C=C/c2ccc(O)cc2)C[C@H](O)CCc2ccccc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000085948883 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@@H](/C=C/c2ccc(O)cc2)C[C@@H](O)CCc2ccccc2)c(O)c1C(=O)/C=C/c1ccccc1 ZINC000085948888 KK Annotated Mild COC1=CN(C=O)[C@@H]2Cc3ccc(cc3)Oc3cc(ccc3O)C[C@H]3c4c(cc(OC)c(c4O)-c4cc2c1cc4OC)CCN3C ZINC000085949337 KK Annotated Clean COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CC[N+](C)([O-])[C@H]5C2)CCN1C ZINC000085949541 KK Annotated Bother in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN(C)[C@H]3C2 ZINC000085949557 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN[C@H]3C2 ZINC000085949571 KK Annotated Anodyne C=C(C)CC[C@H]1C[C@@]23C[C@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000085950118 KK Annotated Mild COC(=O)CCc1c(C)c2cc3cc(C)c(cc4nc(cc4C)cc4[nH]c(cc1n2)c(CCC(=O)OC)c4C)[nH]3 ZINC000085950299 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000085950390 KK Annotated Mild CC/C=C/C/C=C/C/C=C\CCCCCCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000085950413 KK Annotated Mild CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OCC/C(=C/OC(C)=O)[C@H](C/C=C(\C)C#CC=C(C)C)OC(C)=O ZINC000085950434 KK Annotated Mild CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@]51C ZINC000085951112 KK Annotated Anodyne in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@]51C ZINC000085951115 KK Annotated Anodyne in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@H](O)[C@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@]51C ZINC000085951117 KK Annotated Anodyne in-man CC1(C)C=C2c3cc4[nH]c5c(c4cc3[C@@H](O)[C@H]2C(C)(C)O1)C[C@H]1CC[C@@]2(O)C3=C[C@H](O)[C@H](C(C)(C)O)O[C@@H]3CC[C@]2(C)[C@]51C ZINC000085951119 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)[C@@H](O)[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951120 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)[C@@H](O)[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951121 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)[C@@H](O)[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951123 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)[C@@H](O)[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951124 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)C[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951125 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)C[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951127 KK Annotated Anodyne in-man CC(=O)O[C@@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)C[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951130 KK Annotated Anodyne in-man CC(=O)O[C@H]1C=C2[C@H](CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]23O)C[C@@H]2C7=CC(C)(C)OC2(C)C)O[C@@H]1C(C)(C)O ZINC000085951134 KK Annotated Anodyne in-man C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@H]1O)[C@@H](O)[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951147 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@H]1O)[C@@H](O)[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951149 KK Annotated Mild in-man C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@@H]1O)[C@@H](O)[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951151 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@@H]1O)[C@@H](O)[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951153 KK Annotated Mild in-man C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@H]1O)C[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951154 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@H]1O)C[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951157 KK Annotated Mild in-man C=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@@H]1O)C[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951159 KK Annotated Mild in-man C=C(C)[C@@H]1O[C@H]2CC[C@@]3(C)[C@@]4(C)c5[nH]c6cc7c(cc6c5C[C@@H]4CC[C@]3(O)C2=C[C@@H]1O)C[C@@H]1C7=CC(C)(C)OC1(C)C ZINC000085951161 KK Annotated Mild in-man C=C[C@@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)OC(C)(C)[C@H](O)COc1c2occc2c(OC)c2ccc(=O)oc12 ZINC000085951174 KK Annotated Mild C=C[C@@H](C#CC#C[C@@H](O)/C=C\CCCCCCC)OC(C)(C)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 ZINC000085951197 KK Annotated Mild 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=C(C)/C=C/C=C(\C)C=O ZINC000085953129 KK Annotated Reactive C=C1C=CCC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000085953139 KK Annotated Mild in-man endogenous C=C1C=CCC(C)(C)[C@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000085953142 KK Annotated Mild in-man endogenous C=C1C=CCC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000085953144 KK Annotated Mild in-man endogenous C=C1C=CCC(C)(C)[C@@]1(O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000085953148 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)[C@@H]1O ZINC000085953152 KK Annotated Anodyne CC(=O)O[C@H]1CC(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/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)[C@](C)(O)C1 ZINC000085953160 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@]1(O)/C=C/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 ZINC000085953207 KK Annotated Anodyne CC1=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)[C@]2(C)CCCC2(C)C)C(C)(C)CC=C1 ZINC000085953229 KK Annotated Mild CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000085953324 KK Annotated Mild in-man CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000085953327 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000085953332 KK Annotated Mild in-man CC(=O)O[C@@H]1CC(C)(C)C(=C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]3(O)C(C)=CC(=O)CC3(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000085953334 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@H](O)C1 ZINC000085953353 KK Annotated Mild in-man CC1=C(C#C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@H](CC2(C)C)C[C@@]3(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085953354 KK Annotated Mild in-man CC(=O)O[C@@H]1CC[C@]2(CCCCCCCCCCCCCCCOC[C@H](N)CO)O[C@H]1[C@@H](CCCC/C=C/C(=O)O)O2 ZINC000085953402 KK Annotated Anodyne CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000085955014 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000085955017 KK Annotated Bother in-man endogenous CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000085955019 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@H](CC1(C)C)C[C@@]2(C)O)=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 ZINC000085955021 KK Annotated Bother in-man Cc1c(O)c(C(=O)/C=C/c2ccccc2)c2c(c1O)[C@H]1Oc3c(C)c(O)c(C(=O)/C=C/c4ccccc4)c4c3[C@H](CC(C)(C)O4)[C@H]1C(C)(C)O2 ZINC000085955867 KK Annotated Mild CC(=O)c1c(O)c(C)c2c(c1O)C[C@H]1[C@@H](O2)c2c(O)c(C)c(O)c(C(=O)/C=C/c3ccccc3)c2OC1(C)C ZINC000085955879 KK Annotated Mild COc1ccc(OOc2ccc(OC)c3cc4c(cc23)[C@@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O ZINC000085965357 KK Annotated Reactive CCOc1ccc(OOc2ccc(OCC)c3cc4c(cc23)[C@@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O ZINC000085965369 KK Annotated Reactive CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085965440 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085965444 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085965448 KK Annotated Bother in-man CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C/C=C(C)/C=C\C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085965453 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085965460 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085965464 KK Annotated Bother in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@H](O)C1 ZINC000085965466 KK Annotated Bother in-man CC1=C(/C=C/C(C)=C\C=C/C(C)=C/C=C\C=C(C)\C=C/C=C(C)\C=C\[C@@]2(O)C(C)(C)C[C@H](O)C[C@@]2(C)O)C(C)(C)C[C@@H](O)C1 ZINC000085965468 KK Annotated Bother in-man COc1cc(OC)c2c(O)c3c(c(-c4ccc5c(c4O)C(=O)c4c(O)cc(C)cc4C5=O)c2c1)C[C@H](C)O[C@@H]3C ZINC000085966253 KK Annotated Clean C[C@]12C[C@@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@@H]1[C@@H]1C(=O)C[C@@H]3[C@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@@H]2O ZINC000085967611 KK Annotated Mild in-man C[C@]12C[C@@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@@H]1[C@@H]1C(=O)C[C@@H]3[C@@]4(C)CC[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@@H]2O ZINC000085967615 KK Annotated Mild in-man C[C@]12C[C@@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@@H]1[C@@H]1C(=O)C[C@@H]3[C@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@@H]2O ZINC000085967621 KK Annotated Mild in-man C[C@]12C[C@@H](OC(=O)c3ccccc3)[C@](C)(C=O)C[C@@H]1[C@@H]1C(=O)C[C@@H]3[C@@]4(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@@]1(C)C[C@@H]2O ZINC000085967624 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](C(=O)C[C@@H]4[C@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C[C@@]1(C)C=O ZINC000085967627 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C[C@@]1(C)C=O ZINC000085967631 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](C(=O)C[C@@H]4[C@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C[C@@]1(C)C=O ZINC000085967635 KK Annotated Mild in-man CNc1ccccc1C(=O)O[C@@H]1C[C@]2(C)[C@@H](O)C[C@@]3(C)[C@@H](C(=O)C[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C[C@@]1(C)C=O ZINC000085967640 KK Annotated Mild in-man COc1ccc(C2=C(c3cc([C@@H]4COc5cc(O)ccc5C4)c(O)cc3OC)Cc3ccc(O)cc3O2)c(O)c1 ZINC000085968871 KK Annotated Anodyne COc1ccc(C2=C(c3cc([C@@H]4COc5cc(OC(C)=O)ccc5C4)c(OC(C)=O)cc3OC)Cc3ccc(OC(C)=O)cc3O2)c(OC(C)=O)c1 ZINC000085968881 KK Annotated Anodyne COc1ccc(C2=C(c3cc4c(cc3O)OC[C@@H](c3ccc(OC)cc3O)C4)Cc3ccc(O)cc3O2)c(O)c1 ZINC000085968890 KK Annotated Anodyne COc1ccc(-c2c(-c3cc([C@H]4COc5cc(O)ccc5C4)c(O)cc3OC)oc3cc(O)ccc3c2=O)c(O)c1 ZINC000085968906 KK Annotated Anodyne COc1c(Cc2ccc(O)cc2)c(O)c(Cc2ccc(O)cc2)c2c1-c1cc(Cc3ccc(O)cc3)c(O)cc1CC2 ZINC000085969530 KK Annotated Anodyne in-vitro biogenic COC1=C(c2ccc(OC(=O)Cc3ccccc3)cc2)C(=O)C(OC(=O)Cc2ccccc2)=C(c2ccc(OC(=O)Cc3ccccc3)cc2)C1=O ZINC000085970022 KK 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=C/C2=C(C)C(=O)C[C@@H](O)C2(C)C)C(C)(C)C[C@H](O)C1=O ZINC000085970624 KK Annotated Mild CC(=O)CCCC(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\C1=C(C)C[C@@H](O)CC1(C)C ZINC000085973978 KK Annotated Mild in-man endogenous CC(=O)CCCC(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\C1=C(C)C[C@H](O)CC1(C)C ZINC000085973980 KK Annotated Mild in-man endogenous CCCC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(Cc3c(O)c(C)c(O)c(C(=O)CCC)c3O)c(O)c(C(=O)CCC)c2O)c1O ZINC000085974110 KK Annotated Anodyne CCCC(=O)c1c(O)c(C)c(OC)c(Cc2c(O)c(Cc3c(O)c(C)c(OC)c(C(=O)CCC)c3O)c(O)c(C(C)=O)c2O)c1O ZINC000085974111 KK Annotated Anodyne CCCC(=O)c1c(O)c(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)c(O)c(Cc2c(O)c(C(=O)CCC)c(O)c(C)c2OC)c1O ZINC000085974115 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCCCCC/C=C/[C@H](O)CCCCCCCCC[C@H](O)C#CC#CCO ZINC000085974288 KK Annotated Mild COC1=Cc2ccnc3c(-c4c5c6c(cc(OC)c(OC)c6c6ccccc46)CCN5C)c4ccccc4c(c23)C1=O ZINC000085974530 KK Annotated Mild COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C ZINC000085975137 KK Annotated Bother in-man endogenous CS[C@@]1([C@@]2(SC)Nc3cc(Br)ccc3C2=O)Nc2cc(Br)ccc2C1=O ZINC000085976076 KK Annotated Anodyne CS[C@@]1([C@]2(SC)Nc3cc(Br)ccc3C2=O)Nc2cc(Br)ccc2C1=O ZINC000085976084 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)[C@H](C2)N(C)CC3)OCO4 ZINC000085976800 KK Annotated Anodyne in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(OC)c4c(c3Oc3c5c(cc(OC)c3OC)[C@H](C2)N(C)CC5)OCO4)CCN1C ZINC000085976803 KK Annotated Anodyne COc1cc(O)c2cc1Oc1ccc(cc1)C(=O)C1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000085976844 KK Annotated Anodyne COc1cc(O)c2cc1Oc1ccc(cc1)C(=O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000085976849 KK Annotated Anodyne COc1cc(O)c2cc1Oc1ccc(cc1)[C@H](O)c1nccc3cc(OC)c(cc13)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000085976860 KK Annotated Anodyne COc1cc(O)c2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000085976880 KK Annotated Anodyne c1ccc2c(c1)c(-c1c3c4c(cc5c(c4c4ccccc14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1 ZINC000085976988 KK Annotated Bother COc1cccc2c1c(-c1c3c4c(cc5c(c4c4ccccc14)OCO5)CCN3)c1c3c(cc4c(c32)OCO4)CCN1 ZINC000085976993 KK Annotated Bother COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085976996 KK Annotated Anodyne in-vitro biogenic COc1c2c(c3c4c1CCNc4c(-c1c4c5c(c(OC)c6c(c5c5ccccc15)OCO6)CCN4)c1ccccc13)OCO2 ZINC000085976998 KK Annotated Bother in-vitro biogenic COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)NCC3 ZINC000085977011 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)NCC3 ZINC000085977034 KK Annotated Anodyne COc1cc2c3c(c(-c4c5c6c(cc(OC)c(OC)c6c6ccccc46)CCN5C)c4ccccc4c3c1OC)NCC2 ZINC000085977085 KK Annotated Bother COc1cc2c3c(c(-c4c5c6c(cc(OC)c(OC)c6c6ccccc46)CCN5C)c4ccccc4c3c1OC)N(C)CC2 ZINC000085977090 KK Annotated Bother COc1cc2c3c(c(-c4c5c6c(c(OC)c(OC)c(OC)c6c6ccccc46)CCN5)c4ccccc4c3c1OC)NCC2 ZINC000085977093 KK Annotated Bother COc1c(OC)c(OC)c2c3c1CCNc3c(-c1c3c4c(c(OC)c(OC)c(OC)c4c4ccccc14)CCN3)c1ccccc12 ZINC000085977094 KK Annotated Bother COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3c(OC)c(OC)cc4c3cc3c5c(c(OC)c(OC)c(OC)c54)CCN3C)cc1)N(C)CC2 ZINC000085977197 KK Annotated Bother COc1cc2c(c(Oc3ccc(C[C@@H]4c5cc6c(c(OC)c5CCN4C)OCO6)cc3)c1OC)C[C@@H]1c3c(c(OC)c(OC)c(OC)c3-2)CCN1C ZINC000085977209 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](Cc1ccc(OC)c(Oc3ccc(C[C@@H]4c5cc6c(c(OC)c5CCN4C)OCO6)cc3)c1)N(C)CC2 ZINC000085977242 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1Oc1ccc(C[C@@H]2c3cc4c(c(OC)c3CCN2C)OCO4)cc1 ZINC000085977335 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)CC2=NCC3)N(C)CC4 ZINC000085977351 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(c(OC)cc31)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000085977355 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(c(OC)cc31)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000085977358 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(c(OC)cc31)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000085977360 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(O)c3c1[C@H](C2)N(C)CC3 ZINC000085977470 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C=O)CC3 ZINC000085979244 KK Annotated Anodyne O=C1c2ccccc2N(Cc2ccccc2O)[C@]1(Cc1ccccc1O)Cc1cc(Cc2ccccc2O)ccc1O ZINC000085979698 KK Annotated Clean CC(/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(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 ZINC000085982846 KK Annotated Bother CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)CCCC2(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 ZINC000085982864 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)CCCC2(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 ZINC000085982868 KK Annotated Bother in-man COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(OC)c(c3CCN1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C=O)CC3 ZINC000085985209 KK Annotated Anodyne C=CC(C)(C)c1cc(CCCc2cc(OCC=C(C)C)c(O)c(CC=C(C)C)c2CC=C(C)C)c(O)cc1O ZINC000085989174 KK Annotated Mild C=CC(C)(C)c1c2c(c(O[C@@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@@H]3O)c3ccc(=O)oc13)C=CC(C)(C)O2 ZINC000085989768 KK Annotated Mild C=CC(C)(C)c1c2c(c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)c3ccc(=O)oc13)C=CC(C)(C)O2 ZINC000085989774 KK Annotated Mild C=CC(C)(C)c1cc2c(O[C@@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C=C3 ZINC000085989789 KK Annotated Mild C=CC(C)(C)c1cc2c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C=C3 ZINC000085989791 KK Annotated Mild COc1c(O)c2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000085990736 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c4c3Oc3cc5c(cc3O4)CCN=C5C2)CCN1C ZINC000085990747 KK Annotated Anodyne Cc1c2c(c(O)c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3CC(C)C)C(=O)C[C@@H](c1ccccc1)O2 ZINC000085991425 KK Annotated Mild CN1CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)CC1=NCCc2cc(c(cc21)O4)O3 ZINC000085991494 KK Annotated Anodyne COc1cc2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2 ZINC000085991496 KK Annotated Anodyne C[N+]1([O-])CCc2cc(O)c3c4c2[C@@H]1Cc1ccc(cc1)Oc1cc(ccc1O)CC1=NCCc2cc(c(cc21)O4)O3 ZINC000085991498 KK Annotated Bother in-vitro biogenic O=C1CCC[C@@H]2C[C@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000085991508 KK Annotated Mild O=C1CCC[C@@H]2C[C@@H](C[C@@](O)(/C=C/c3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1 ZINC000085991512 KK Annotated Mild CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991621 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991623 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991625 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991627 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085991637 KK Annotated Anodyne in-man CC1=C[C@@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085991639 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085991642 KK Annotated Anodyne in-man CC1=C[C@@H](c2c(O)cc(/C=C/c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085991643 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991647 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991649 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991650 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991652 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991665 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991666 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991668 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4)c3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000085991670 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085991672 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085991674 KK Annotated Mild in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085991676 KK Annotated Mild in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)ccc(C(=O)/C=C/c4ccc(O)cc4O)c3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000085991678 KK Annotated Mild in-man endogenous CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H](C(=O)c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)C1 ZINC000085991680 KK Annotated Anodyne in-man endogenous CC1=C[C@@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H](C(=O)c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)C1 ZINC000085991683 KK Annotated Anodyne in-man endogenous CC1=C[C@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)C1 ZINC000085991684 KK Annotated Anodyne in-man endogenous CC1=C[C@@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@@H](C(=O)c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2O)C1 ZINC000085991686 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(-c2ccc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000085991690 KK Annotated Anodyne in-man CC(C)=CCc1c(-c2ccc(O)c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000085991691 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(-c2ccc(O)c([C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000085991692 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(-c2ccc(O)c([C@@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000085991695 KK Annotated Anodyne in-man endogenous CC1=C[C@H](c2cc(/C=C/c3cc(O)cc(O)c3)c(O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000085991705 KK Annotated Anodyne C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000085991718 KK Annotated Anodyne in-man C[C@]12C[C@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(/C=C\c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000085991719 KK Annotated Anodyne in-man Cc1cc2c([nH]c3ccc(O)c(-c4c(O)ccc5[nH]c6c7c(c(C)cc6c45)OC(C)(C)C=C7)c32)c2c1OC(C)(C)C=C2 ZINC000085991721 KK Annotated Anodyne C=C/C(C)=C/C[C@@H]1[C@]2(C)[C@@H](CC[C@@]1(C)O)[C@](C)(COC(=O)/C=C/c1ccc(O)cc1)CC[C@H]2OC(C)=O ZINC000085993532 KK Annotated Anodyne COc1cc2c3c(c(-c4ccccc4)ccc3c1O)C(=O)[C@@]21C(=O)Oc2c1cc1c3c(c(-c4ccccc4)ccc23)C(=O)C(O)=C1 ZINC000085994800 KK Annotated Mild COc1cc(-c2c3n(c4c(=O)oc5cc(OC(C)=O)c(OC)cc5c24)CCc2cc(OC(C)=O)c(OC)cc2-3)ccc1OC(C)=O ZINC000085994991 KK Annotated Anodyne COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(OC)c(OC)c2)c2n1CCc1cc(OC)c(OC)cc1-2 ZINC000085994993 KK Annotated Anodyne COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC)cc4c23)ccc1O ZINC000085994998 KK Annotated Bother COc1cc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2OC)ccc1O ZINC000085995002 KK Annotated Anodyne COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(OC)c(OC)c2)c2n1CCc1c-2cc(OC)c(OC)c1OC ZINC000085995003 KK Annotated Anodyne COc1cc(-c2c3c4cc(OC)c(OC(C)=O)cc4oc(=O)c3n3ccc4c(OC)c(OC)c(OC(C)=O)cc4c23)ccc1OC(C)=O ZINC000085995004 KK Annotated Bother COc1cc2c(cc1O)oc(=O)c1c2c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)c(OC)c3ccn21 ZINC000085995005 KK Annotated Bother COc1cc(OC)cc(-c2c3n(c4c(=O)oc5cc(O)c(OC)cc5c24)CCc2c-3cc(OC)c(OC)c2O)c1 ZINC000085995008 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]1(C)CC3 ZINC000085995413 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@@H](CCC=C(C)C)C(=O)O)[C@@]2(C)CCC3=C(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@]12C ZINC000085995421 KK Annotated Anodyne C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000085995621 KK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000085995622 KK Annotated Mild in-man C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000085995623 KK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000085995624 KK Annotated Mild in-man C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000085995625 KK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)CC[C@]23C)[C@]1(C)CCC(=O)O ZINC000085995626 KK Annotated Mild in-man C=C(C)[C@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000085995627 KK Annotated Mild in-man C=C(C)[C@@H]1CC=C(C)[C@@H](CC[C@@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]4NC(C)=O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000085995628 KK Annotated Mild in-man CC(/C=C/C=C(C)/C=C/c1c(C)ccc(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(O)c(C)c1C ZINC000085996462 KK Annotated Bother CC(/C=C/C=C(C)/C=C/c1c(C)cc(O)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)cc(O)c(C)c1C ZINC000085996463 KK Annotated Bother Oc1ccc(-c2oc3cc(O)ccc3c2Cc2cc3c4c(oc3cc2O)-c2ccc(O)cc2OC4)c(O)c1 ZINC000085996580 KK Annotated Anodyne in-vitro biogenic COc1cc2c3c(ccnc3c1OC)N(C)C(=O)[C@]21C(=O)c2c3ccccc3nc3c2c2c1c(OC)c(OC)c1nccc(c12)n3C ZINC000085996933 KK Annotated Bother COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)NCC4 ZINC000085996955 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)NCC4 ZINC000085996957 KK Annotated Anodyne COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)NCC4 ZINC000085996958 KK Annotated Anodyne O=C(/C=C/c1ccc(O)c([C@@H]2C(=O)c3ccc(O)cc3O[C@H]2c2ccc(O)cc2)c1)c1ccc(O)cc1O ZINC000085997848 KK Annotated Mild O=C(/C=C\c1ccc2c(c1)[C@H](C(=O)c1ccc(O)cc1O)[C@@H](c1ccc(O)cc1)O2)c1ccc(O)cc1O ZINC000085997861 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](Cc1c(OC)c2cccc(OC)c2n(C)c1=O)OC(=O)CCCCCCCCCCCCCCC ZINC000085998261 KK Annotated Mild in-vitro biogenic COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(OC)cc3c1[C@H](C2)NCC3)O4 ZINC000085999059 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CCN1C)Oc1c(O)c(OC)cc3c1C(=NCC3)C2 ZINC000085999063 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@H]1CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000085999873 KK Annotated Anodyne CC(/C=C\[C@]12O[C@@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085999895 KK Annotated Bother in-man CC(/C=C\[C@]12O[C@@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000085999899 KK Annotated Bother in-man CC(/C=C\[C@]12O[C@@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000085999905 KK Annotated Bother in-man CC(/C=C\[C@]12O[C@@]1(C)CCCC2(C)C)=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(\C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000085999908 KK Annotated Bother in-man CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(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 ZINC000085999950 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(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 ZINC000085999953 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(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 ZINC000085999959 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(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 ZINC000085999962 KK Annotated Bother in-vitro COc1ccc(-c2oc3c(Cc4c(O)c(C(=O)CCc5ccc(O)cc5)c(O)c(C)c4OC)c(O)cc(O)c3c(=O)c2OC)cc1 ZINC000086000581 KK Annotated Anodyne CC(=O)O[C@H](C/C=C(\C)[C@H](Cl)C(Br)Br)[C@@](C)(Br)CCl ZINC000086000685 KK Annotated Reactive CC1(C)[C@@H](Br)C[C@H](O)[C@@](C)(Br)[C@@]12Cc1cc(Br)cc(Br)c1O2 ZINC000086000761 KK Annotated Reactive CCOCc1cc(Oc2c(COCC)cc(O)c(O)c2Br)c(O)c(Br)c1Br ZINC000086000801 KK Annotated Clean COc1c2c(cc3c1[C@@H]1[C@@H]4C(=O)c5c(cc6occc6c5OC)O[C@]4(C)[C@@H]1O3)O[C@@]1(C)[C@@H](C2=O)[C@H]2c3c(cc4oc(C)cc(=O)c4c3OC)O[C@H]21 ZINC000086001602 KK Annotated Anodyne CCCCCCCCCCCC(=O)C[C@@H]1c2c(ccc(OC)c2OC)-c2ccc3cc4c(cc3c2N1C)OCO4 ZINC000086002076 KK Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H](C[C@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@@](O)(CO)CC[C@H]21 ZINC000086003235 KK Annotated Anodyne in-man CC1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@](O)(CO)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000086003238 KK Annotated Anodyne in-man CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C[C@H](O)C3=CC(=O)O[C@@H]3OC(=O)/C=C/c3ccccc3)[C@@](O)(CO)CC[C@H]21 ZINC000086003245 KK Annotated Anodyne in-man CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@](O)(CO)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000086003246 KK Annotated Anodyne in-man CC(=O)OC[C@]1(O)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000086003248 KK Annotated Anodyne in-man endogenous CC(=O)OC[C@@]1(O)CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000086003253 KK Annotated Anodyne in-man CC(=O)OC[C@]1(O)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000086003257 KK Annotated Anodyne in-man CC(=O)OC[C@@]1(O)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)CCC[C@]32C)[C@@H]1C[C@H](O)C1=CC(=O)O[C@@H]1OC(=O)/C=C/c1ccccc1 ZINC000086003260 KK Annotated Anodyne in-man COc1cc2c3c(c1O)Oc1ccc(cc1)CC1=NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)C[C@H]3N(C)CC2 ZINC000086003532 KK Annotated Anodyne COc1cc2c3c(O)c1OCc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC3=NCC2)CCN1C ZINC000086003533 KK Annotated Anodyne COc1cc2c3c(OC)c1OCc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)CC3=NCC2)CCN1C ZINC000086003536 KK Annotated Anodyne COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@H]1NCCc4cc(OC)c(c(O)c41)OCc1ccc(cc1)C[C@H]3N(C)CC2 ZINC000086003541 KK Annotated Clean COc1cc2c3c(O)c1OCc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C(=O)C3=NCC2)CCN1C ZINC000086003551 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3cc(OC)c4c(c13)Oc1cc3c(cc1O4)CCN(C)[C@H]3C2 ZINC000086004168 KK Annotated Anodyne C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCC)[C@H]1CO ZINC000086004644 KK Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000086004655 KK Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCCCC)[C@H]1CO ZINC000086004669 KK Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000086004681 KK Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000086004695 KK Annotated Mild C=C1C/C=C\[C@@](C)(O)CC[C@H](/C(=C\C=C\C(C)(C)O)COC(=O)CCCCCCCCCCCCCCCCCCC)[C@H]1COC(C)=O ZINC000086004714 KK Annotated Mild CCC[C@H]1Cc2c(c(O)c3c(=O)cc4oc5c6c(c(O)c7c(=O)cc8oc2c3c4c8c57)C(=O)O[C@H](CCC)C6)C(=O)O1 ZINC000086005128 KK Annotated Bother CCC[C@H]1Cc2c(c(O)c3c(=O)cc4oc5c6c(c(O)c7c(=O)cc8oc2c3c4c8c57)C(=O)O[C@@H](CCC)C6)C(=O)O1 ZINC000086005132 KK Annotated Bother COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(O)c(OC)c3c1[C@@H](C2)NCC3)O4 ZINC000086006550 KK Annotated Anodyne COc1ccc2cc1-c1cc(ccc1O)C[C@@H]1NCCc3cc4c(cc31)Oc1c(c(O)c(OC)c3c1[C@H](C2)NCC3)O4 ZINC000086006555 KK Annotated Anodyne C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C(C1=Cc2c(c(C(C)(C)C=C)c4oc(=O)ccc4c2O)OC1(C)C)=C3 ZINC000086006968 KK 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=C\C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000086007083 KK Annotated Mild in-man CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@@H](O)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000086007084 KK Annotated Mild in-man CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@H](O)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000086007086 KK Annotated Mild in-man endogenous CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C\C=C(C)\C=C/C=C(C)\C=C\C2=C(C)[C@H](O)[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1=O ZINC000086007089 KK Annotated Mild in-man endogenous CC1=C(CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000086007181 KK Annotated Bother in-man endogenous CC1=C(CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000086007185 KK Annotated Bother in-man endogenous COc1cc(C)c(O)c(C/C=C(\C)C[C@H](/C=C(\C)CC/C=C(\C)[C@@H]2C[C@H](O)C(C)(C)O2)OC(C)=O)c1 ZINC000086007495 KK Annotated Anodyne C/C(=C\CC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000086021048 KK Annotated Anodyne in-vitro biogenic CC(/C=C\C=C(C)/C=C\C=C(/C)CC/C=C(\C)CO)=C/C=C\C=C(C)\C=C\C=C(C)/C=C/C=C(\C)CC/C=C(\C)CO ZINC000086021166 KK Annotated Bother in-man endogenous COc1c(O)ccc2c1ccc1c(-c3c(O)cc(OC)c4c3ccc3c(OC)c(O)ccc34)c(O)cc(OC)c12 ZINC000086021278 KK Annotated Bother C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000086021551 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@@H]1C ZINC000086021553 KK Annotated Anodyne COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@@H](C)[C@H](C)[C@@H]3OC(=O)c1ccccc1)OCO2 ZINC000086021562 KK Annotated Anodyne in-vitro biogenic COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(C)=O)[C@H](C)[C@H](C)[C@@H]3OC(=O)c1ccccc1)OCO2 ZINC000086021580 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](OC(C)=O)[C@H](C)[C@@H]1C)OCO3 ZINC000086021634 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](OC(=O)/C(C)=C\C)[C@H](C)[C@@H]1C)OCO3 ZINC000086021653 KK Annotated Anodyne in-vitro biogenic CC(C)CC(=O)c1c(O)cc(O)c(C[C@]23Oc4c(C(=O)CC(C)C)c(O)cc(O)c4[C@H]2C[C@]2(Cc4c(cc(O)c(C(=O)CC(C)C)c4O)O2)O3)c1O ZINC000086022035 KK Annotated Anodyne CC(C)CC(=O)c1c(O)cc(O)c2c1O[C@]1(C2)Oc2c(C(=O)CC(C)C)c(O)cc(O)c2[C@@H]1Cc1cc2c(O)c(C(=O)CC(C)C)c(O)cc2o1 ZINC000086022048 KK Annotated Anodyne C[C@H](CCC[C@H](C)CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO)CCC[C@@H](C)CCC[C@@H](C)CCO ZINC000086022371 KK Annotated Anodyne C#C/C=C\CCCCCCCCCCCCCCCC/C=C\CCCC/C=C\CCCCC#C[C@@H](O)C#CCCCCCC/C=C/[C@@H](O)C#C ZINC000086022753 KK Annotated Mild CCCCCCCCCCCCCCCCC/C=C1/C(=O)O[C@@]2(C)O[C@H](CCCCCCCCCCCCCCCCC)O[C@@H]12 ZINC000086022837 KK Annotated Mild CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000086023746 KK Annotated Bother in-man CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O ZINC000086023754 KK Annotated Bother in-man CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000086023758 KK Annotated Bother in-man CC(=C/C=C/C(C)=C/C=C\C=C(C)\C=C\C=C(C)\C=C\[C@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O ZINC000086023762 KK Annotated Bother in-man COc1ccc(Cc2nc(-c3cc(Br)c(OCCCN(C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000086024097 KK Annotated Anodyne CNCCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000086024101 KK Annotated Anodyne C=CCc1ccc(O)c(-c2cc([C@@H](O)[C@H](O)COc3ccc(CC=C)cc3-c3cc(CC=C)ccc3O)ccc2O)c1 ZINC000086024235 KK Annotated Mild C=CCc1ccc(Oc2cc([C@@H](O)[C@H](O)Cc3c(CC=C)cc(O)c(O)c3Oc3ccc(CC=C)cc3)cc(O)c2O)cc1 ZINC000086024248 KK Annotated Mild C[C@H](COC(=O)/C=C/c1ccccc1)CC(=O)c1c2c(c3oc(=O)cc(-c4ccccc4)c3c1O)C=CC(C)(C)O2 ZINC000086025642 KK Annotated Anodyne COc1c2c(c(OC)c([C@H](C)O[C@@H](C)c3c(OC)c4c(c(OC)c3OC)OC(C)(C)C=C4)c1OC)C=CC(C)(C)O2 ZINC000086031079 KK Annotated Anodyne COc1c2c(c(OC)c([C@H](C)O[C@H](C)c3c(OC)c4c(c(OC)c3OC)OC(C)(C)C=C4)c1OC)C=CC(C)(C)O2 ZINC000086031084 KK Annotated Anodyne COc1cc(OC(C)=O)c([C@H](c2ccccc2)c2c(OC(C)=O)c(C)c(OC(C)=O)c3c2O[C@H](c2ccccc2)CC3=O)c(OC(C)=O)c1C ZINC000086032370 KK Annotated Anodyne CC1(C)C[C@@H](c2c3c(c4[nH]c5c(O)cccc5c(=O)c4c2O)CCC(C)(C)O3)c2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1 ZINC000086032594 KK Annotated Bother in-vitro CC1(C)C[C@H](c2c3c(c4[nH]c5c(O)cccc5c(=O)c4c2O)CCC(C)(C)O3)c2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1 ZINC000086032602 KK Annotated Bother in-vitro biogenic CCCCCCCCC(=O)c1cccc2c1[C@@H](O)[C@@H](CCCCCCC)[C@@]1(OCc3c(O)cccc31)O2 ZINC000086032981 KK Annotated Mild COc1cc2c(cc1OC)[C@@H](Cc1ccc(OC3=C[C@@]4(C=CC3=O)C[C@@H]3c5c(cc(OC)c(OC)c54)CCN3C)cc1)N(C)CC2 ZINC000086033245 KK Annotated Mild in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000086034583 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000086034588 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000086034594 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2)c1O ZINC000086034599 KK Annotated Anodyne in-man C[C@@]12C[C@@H](c3ccc(O)cc3O1)c1oc3cc(-c4cc5ccc(O)cc5o4)cc(OC(=O)c4ccc(O)cc4O)c3c1C2=O ZINC000086034619 KK Annotated Anodyne in-man C[C@]12C[C@H](c3ccc(O)cc3O1)c1oc3cc(-c4cc5ccc(O)cc5o4)cc(OC(=O)c4ccc(O)cc4O)c3c1C2=O ZINC000086034624 KK Annotated Anodyne in-man CC1=C[C@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000086034631 KK Annotated Anodyne CC1=C[C@@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@H](c2ccc(O)cc2O)C1 ZINC000086034635 KK Annotated Anodyne Cc1cc2c3c(c1O)-c1ccc(O)cc1O[C@]3(c1ccc(O)cc1O)Oc1cc(-c3cc4cccc(O)c4o3)cc(O)c1-2 ZINC000086034640 KK Annotated Anodyne in-man endogenous Cc1cc2c3c(c1O)-c1ccc(O)cc1O[C@@]3(c1ccc(O)cc1O)Oc1cc(-c3cc4cccc(O)c4o3)cc(O)c1-2 ZINC000086034644 KK Annotated Anodyne in-man endogenous C[C@]12C[C@H](c3ccc(O)cc3O1)[C@]13O[C@@]1(c1ccc(O)cc1O)Oc1cc(-c4cc5ccc(O)cc5o4)cc(O)c1[C@@H]3C2=O ZINC000086034647 KK Annotated Anodyne in-man C[C@]12C=C3C(=C(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c43)[C@H](c3ccc(O)cc3O1)[C@@H]2O ZINC000086034654 KK Annotated Anodyne in-man C[C@@]12C=C3C(=C(c4ccc(O)cc4O)Oc4cc(-c5cc6ccc(O)cc6o5)cc(O)c43)[C@@H](c3ccc(O)cc3O1)[C@@H]2O ZINC000086034659 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000086034666 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000086034671 KK Annotated Anodyne in-man CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000086034676 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc(-c4cc5ccc(O)c(CC=C(C)C)c5o4)cc3O)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000086034679 KK Annotated Anodyne in-man endogenous O=C(N1CCc2cc3c(c4c2[C@@H]1Cc1ccc2c(c1-4)OCO2)OCO3)N1CCc2cc3c(c4c2[C@@H]1Cc1ccc2c(c1-4)OCO2)OCO3 ZINC000086034698 KK Annotated Anodyne CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000086034969 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000086034974 KK Annotated Anodyne in-man CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000086034983 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)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 ZINC000086034989 KK Annotated Anodyne in-man CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000086034995 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@H]12 ZINC000086034998 KK Annotated Anodyne in-man CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000086035006 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@H]12 ZINC000086035010 KK Annotated Anodyne in-man CC1(C)[C@H]2C[C@H](O)C3=C(CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000086035190 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@@]2(C)C3=C([C@@H](O)C[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@@H]2[C@]1(C)CC3 ZINC000086035194 KK Annotated Anodyne in-man CC1(C)[C@H]2C[C@H](O)C3=C(CC[C@@]4(C)[C@H]5C[C@@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000086035197 KK Annotated Anodyne in-man CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@](C)(COC(=O)c4ccccc4)C[C@@H]2[C@]1(C)CC3 ZINC000086035205 KK Annotated Anodyne in-man COc1ccc(C(=O)OC[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@@]4(C)[C@H]3C2)[C@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@H]2CC5=O)cc1 ZINC000086035269 KK Annotated Mild in-man COc1ccc(C(=O)OC[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@@]4(C)[C@H]3C2)[C@]2(C)CC[C@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@H]2CC5=O)cc1 ZINC000086035276 KK Annotated Mild in-man COc1ccc(C(=O)OC[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@@]4(C)[C@H]3C2)[C@@]2(C)CC[C@@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@H]2CC5=O)cc1 ZINC000086035278 KK Annotated Mild in-man COc1ccc(C(=O)OC[C@@]2(C)CC[C@]3(C)CC[C@]4(C)C5=C(CC[C@@]4(C)[C@H]3C2)[C@@]2(C)CC[C@H](OC(=O)c3ccc(OC)cc3)C(C)(C)[C@H]2CC5=O)cc1 ZINC000086035284 KK Annotated Mild in-man COc1cc(O)c(C(=O)[C@@H]2[C@H](CC=C(C)C)C(C)=CC[C@H]2c2ccccc2)c2c1C=C[C@](C)(CCC=C(C)C)O2 ZINC000086035765 KK Annotated Anodyne CCC1=C(C)/C(=C/C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O ZINC000086036419 KK Annotated Anodyne in-vitro COc1cc(O)c2c(=O)c3cc(OC)c4c(c3oc2c1)OC[C@@](C)(/C=C/c1c(O)cc2oc3c(O)cccc3c(=O)c2c1O)O4 ZINC000086036449 KK Annotated Bother C/C(=C\COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1)CC[C@H](O)C(C)(C)O ZINC000086036543 KK Annotated Anodyne in-man C/C(=C\COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1)CC[C@H](O)C(C)(C)O ZINC000086036552 KK Annotated Anodyne in-man COc1cc2c(=O)c3c(O)cc(O)cc3oc2c2c1O[C@@](C)(/C=C/c1c(O)cc3oc4c(OC)cccc4c(=O)c3c1O)CO2 ZINC000086036554 KK Annotated Bother C/C(=C\COc1c2c(cc3occc13)O[C@]1(C=C2)O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1)CC[C@H](O)C(C)(C)O ZINC000086036560 KK Annotated Anodyne in-man C/C(=C\COc1c2c(cc3occc13)O[C@]1(C=C2)O[C@@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1)CC[C@H](O)C(C)(C)O ZINC000086036571 KK Annotated Anodyne in-man CSC1=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O ZINC000086036846 KK Annotated Mild O=C1C(c2ccc(O)cc2)=c2c(c(-c3ccc(O)cc3)/c(=C/c3ccc(O)cc3)n2CCc2ccc(O)cc2)-c2c1[nH]c1c(OS(=O)(=O)O)cccc21 ZINC000086037005 KK Annotated Anodyne COc1cc(C=O)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c(OC)cnc(c24)C3=O)cc1OC ZINC000086037021 KK Annotated Anodyne COc1ccc2c(c1[C@@H](OC(C)=O)C(=O)C(C)C)O[C@@]1(C=C2)O[C@H](Cc2c(OC)ccc3ccc(=O)oc23)C(C)(C)O1 ZINC000086037231 KK Annotated Anodyne Oc1ccc([C@H]2c3c(O)cc(O)cc3/C(=C\c3ccc4c(c3)[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000086037283 KK Annotated Anodyne COc1cc(C)cc2c3ccccc3n(Cc3cc4c([nH]c5ccccc54)c4c3O[C@](C)(CCC=C(C)C)C=C4)c12 ZINC000086037309 KK Annotated Anodyne CCCCCCCCCCCCCCCC1=C(O)C(=O)[C@]2(C(=O)Oc3cc(O)c(O)c(CCCCCCCCCCCCCCC)c32)C1=O ZINC000086038391 KK 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@@H]2C=C3C(C)(C)C[C@H](O)C[C@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000086038424 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@@H]2C=C3C(C)(C)C[C@H](O)C[C@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000086038430 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]2C=C3C(C)(C)C[C@H](O)C[C@]3(C)O2)C(C)(C)C[C@H](O)C1 ZINC000086038434 KK Annotated Bother in-man endogenous CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)[C@H]2C=C3C(C)(C)C[C@H](O)C[C@]3(C)O2)C(C)(C)C[C@@H](O)C1 ZINC000086038440 KK Annotated Bother in-man endogenous C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039197 KK Annotated Mild in-man endogenous C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039202 KK Annotated Mild in-man endogenous C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@@](C)(C=C)CC/C=C(/C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039205 KK Annotated Mild in-man endogenous C=C[C@@](C)(CC/C=C(/C)CCC=C(C)C)c1cc(O)c(O)c(-c2cc([C@@](C)(C=C)CC/C=C(\C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039210 KK Annotated Mild in-man endogenous C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)c1ccc(O)c(Oc2cc([C@](C)(C=C)CC/C=C(/C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039212 KK Annotated Mild in-man endogenous C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)c1cc(O)c(O)c(Oc2cc([C@@](C)(C=C)CC/C=C(/C)CCC=C(C)C)ccc2O)c1 ZINC000086039221 KK Annotated Mild in-man endogenous C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)c1ccc(O)c(Oc2cc([C@@](C)(C=C)CC/C=C(/C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039226 KK Annotated Mild in-man endogenous C=C[C@@](C)(CC/C=C(/C)CCC=C(C)C)c1ccc(O)c(Oc2cc([C@@](C)(C=C)CC/C=C(/C)CCC=C(C)C)cc(O)c2O)c1 ZINC000086039229 KK Annotated Mild in-man endogenous C=Cc1c(C)c2cc3cc(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)[nH]3 ZINC000086039303 KK Annotated Bother CCc1oc(=O)c(Cc2c(OC(C)=O)c(CC=C(C)C)c(OC(C)=O)c(C(=O)[C@H](C)CC)c2OC)c(OC(C)=O)c1C ZINC000086039358 KK Annotated Anodyne COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4ccnc(c24)C3=O)cc1OC ZINC000086039409 KK Annotated Anodyne COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(O)c(OC)cc4cc[n+](C)c(c24)C3=O)cc1OC ZINC000086039420 KK Annotated Anodyne CC(C)C(=O)c1c(O)c([C@H](C(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@H](C(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000086039940 KK Annotated Anodyne CC(C)C(=O)c1c(O)c([C@@H](C(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c(O)c([C@H](C(C)C)C2C(=O)C(C)(C)C(=O)C(C)(C)C2=O)c1O ZINC000086039944 KK Annotated Anodyne CC(C)C(=O)c1c(O)c2c(c3c1OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]3C(C)C)OC1=C(C(=O)C(C)(C)C(=O)C1(C)C)[C@@H]2C(C)C ZINC000086039985 KK Annotated Mild O=C(OC(=C(Br)Br)C(Br)(Br)Br)C(Br)Br ZINC000086040123 KK Annotated Reactive CC1=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/[C@H](O)C(C)(C)O)C(C)(C)C[C@@H](O)C1 ZINC000086040142 KK Annotated Bother in-vitro CC1=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/[C@@H](O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000086040144 KK Annotated Bother in-vitro CC1=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/[C@@H](O)C(C)(C)O)C(C)(C)C[C@@H](O)C1 ZINC000086040148 KK Annotated Bother in-vitro Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000086040565 KK Annotated Clean Oc1cc(O)c(Oc2cc(O)c(Oc3cc(O)cc(O)c3Oc3cc(O)c(Oc4cc(O)c(O)c(O)c4)c(O)c3)c(O)c2)c(O)c1 ZINC000086040571 KK Annotated Clean Oc1cc(O)c(Oc2cc(O)cc(O)c2Oc2cc(O)c(Oc3cc(O)c(O)c(O)c3Oc3cc(O)c(O)c(O)c3)c(O)c2)c(O)c1 ZINC000086040577 KK Annotated Clean C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C[C@@H]3c1c(OC)cc(O)c2c(=O)c3ccc(OC)c(OC)c3[nH]c12 ZINC000086041795 KK Annotated Mild in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C[C@H]3c1c(OC)cc(O)c2c(=O)c3ccc(OC)c(OC)c3[nH]c12 ZINC000086041797 KK Annotated Mild in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C[C@@H]3c1c(OC)cc(O)c2c(=O)c3ccc(O)c(OC)c3[nH]c12 ZINC000086041800 KK Annotated Mild in-man C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)C[C@H]3c1c(OC)cc(O)c2c(=O)c3ccc(O)c(OC)c3[nH]c12 ZINC000086041803 KK Annotated Mild in-man Cn1c2c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@@H]3O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041807 KK Annotated Bother Cn1c2c(O[C@@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041810 KK Annotated Bother Cn1c2c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)c(O)ccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041811 KK Annotated Bother Cn1c2c(O[C@@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@@H]3O)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041813 KK Annotated Bother in-man Cn1c2c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@@H]3O)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041814 KK Annotated Bother in-man Cn1c2c(O[C@@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041817 KK Annotated Bother in-man Cn1c2c(O[C@H]3c4c(ccc5ccc(=O)oc45)OC(C)(C)[C@H]3O)cccc2c(=O)c2c(O)cc3c(c21)C=CC(C)(C)O3 ZINC000086041820 KK Annotated Bother in-man C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@@H](c1c3c(c4c(c1O)c(=O)c1cccc(O)c1n4C)C=CC(C)(C)O3)CC(C)(C)O2 ZINC000086041825 KK Annotated Mild C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@@H](c1c(OC)cc(O)c3c(=O)c4ccc(OC)c(OC)c4[nH]c13)CC(C)(C)O2 ZINC000086041829 KK Annotated Mild in-man C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@H](c1c(OC)cc(O)c3c(=O)c4ccc(OC)c(OC)c4[nH]c13)CC(C)(C)O2 ZINC000086041832 KK Annotated Mild in-man COc1cc(-c2cc(OC)c(O)c3c2CC[C@H](c2cc(O)c(OC)c(OC)c2)O3)c2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000086045070 KK Annotated Anodyne in-man COc1cc(-c2cc(OC)c(O)c3c2CC[C@H](c2cc(O)c(OC)c(OC)c2)O3)c2c(c1O)O[C@@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000086045078 KK Annotated Anodyne in-man COc1cc(-c2cc(OC)c(O)c3c2CC[C@H](c2cc(OC)c(OC)c(OC)c2)O3)c2c(c1O)O[C@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000086045079 KK Annotated Anodyne in-man COc1cc(-c2cc(OC)c(O)c3c2CC[C@H](c2cc(OC)c(OC)c(OC)c2)O3)c2c(c1O)O[C@@H](c1cc(O)c(OC)c(OC)c1)CC2 ZINC000086045082 KK Annotated Anodyne in-man COc1cc(-c2cc(OC)c(O)c3c2CC[C@H](c2cc(O)c(OC)c(OC)c2)O3)c2c(c1O)O[C@H](c1cc(OC)c(OC)c(OC)c1)CC2 ZINC000086045085 KK Annotated Anodyne in-man COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000086047005 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000086047091 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000086047157 KK Annotated Anodyne COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)c1ccccc1)[C@H](C)[C@](C)(O)[C@H]2OC(C)=O ZINC000086047181 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCO[C@@]1(O)c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000086047355 KK Annotated Mild in-vitro biogenic CCCCCCCCCCCCCCCCCCO[C@]1(O)c2cc(O)cc(O)c2C(=O)c2c(O)cc(CO)cc21 ZINC000086047357 KK Annotated Mild O=C(Oc1c(-c2ccc(O)cc2)c(O)c(OC(=O)c2ccccc2)c2c1oc1cc(O)c(O)cc12)c1ccccc1 ZINC000086047383 KK Annotated Clean in-vitro biogenic O=C(Cc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c2oc3cc(O)c(O)cc3c12 ZINC000086047384 KK Annotated Clean in-vitro biogenic O=C(Cc1ccccc1)Oc1c(-c2ccc(O)cc2)c(OC(=O)c2ccc(O)cc2)c2oc3cc(O)c(O)cc3c2c1OC(=O)Cc1ccccc1 ZINC000086047387 KK Annotated Clean in-vitro biogenic CC(=O)Oc1c(-c2ccc(O)cc2)c(OC(=O)Cc2ccccc2)c2oc3cc(O)c(O)cc3c2c1OC(=O)Cc1ccccc1 ZINC000086047390 KK Annotated Clean in-vitro biogenic C=CC(C)(C)c1c2c(c(O)c3ccc(=O)oc13)[C@H](c1c3c(c(O)c4ccc(=O)oc14)C=CC(C)(C)O3)CC(C)(C)O2 ZINC000086047849 KK Annotated Mild CCC/C(=C(C(=O)O[C@@H]1CCN2Cc3ccccc3N=C12)/C(C(=O)O[C@@H]1CCN2Cc3ccccc3N=C12)=C(/CCC)c1ccccc1)c1ccccc1 ZINC000086047866 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000086049135 KK Annotated Mild in-man CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000086049136 KK Annotated Mild in-man endogenous CCCCCCCCCCCCCCCC(=O)O[C@@]12C=C[C@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000086049138 KK Annotated Mild in-man CCCCCCCCCCCCCCCC(=O)O[C@]12C=C[C@H]3CC(C)(C)C[C@@H]3[C@]1(C)C[C@@H]2OC(=O)c1c(C)cc(O)cc1O ZINC000086049140 KK Annotated Mild in-man CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]21C ZINC000086050424 KK Annotated Reactive CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C ZINC000086050433 KK Annotated Reactive CO[C@@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@H]1NCCc2cc(O)c(O)cc21 ZINC000086050517 KK Annotated Clean COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1)-c1cc(ccc1O)CC3=NCC2)N(C)CC4 ZINC000086050664 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)-c1cc(ccc1OC)CC3=NCC2)N(C)CC4 ZINC000086050666 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)-c1cc(ccc1OC)C(=O)C3=NCC2)N(C)CC4 ZINC000086050670 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(O)cc4c1[C@@H](Cc1ccc(OC)c(c1)-c1cc(ccc1O)CC3=NCC2)N(C)CC4 ZINC000086050676 KK Annotated Anodyne C=C(C(C)C)[C@@H](O)[C@@H](OC(C)=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 ZINC000086050895 KK Annotated Mild CC(C)CCCCC(c1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)CC2)c1c(O)c2c(c(C(=O)C(C)C)c1O)OC(C)(C)CC2 ZINC000086051459 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)OC[C@@H](c1c[nH]c2cc(CC=C(C)C)ccc12)C(C)(C)O ZINC000086051615 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)OC[C@H](c1c[nH]c2cc(CC=C(C)C)ccc12)C(C)(C)O ZINC000086051616 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)ccc2O1 ZINC000086051983 KK Annotated Anodyne C=Cc1c(C)c2cc3c(C=C)c(C)c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)OC)c(CCC(=O)OC)c4C)n3C ZINC000086052051 KK Annotated Bother CC1=C[C@H](O)CC(C)(C)[C@H]1CC/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)CO ZINC000086052708 KK Annotated Anodyne CC1=C[C@H](O)CC(C)(C)[C@H]1CC/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000086052712 KK Annotated Reactive CC1=CC=CC(C)(C)[C@H]1CC/C(=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C)CO ZINC000086052716 KK Annotated Bother CC1=CC=CC(C)(C)[C@H]1CC/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000086052720 KK Annotated Reactive CCCCCC(=O)Cc1cc(OC(=O)c2c(CC(=O)CCCCC)cc(O)c(Cl)c2O)cc(O)c1C(=O)O ZINC000086052729 KK Annotated Anodyne Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000086053088 KK Annotated Anodyne in-man Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000086053089 KK Annotated Anodyne in-man biogenic Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000086053090 KK Annotated Anodyne in-man Oc1ccc(/C=C/c2cc(O)cc3c2[C@@H](c2cc(O)cc4c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000086053091 KK Annotated Anodyne in-man C[C@@]12C=C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)[C@@H](C(=O)c3ccc(O)cc3O)[C@@H](C1)c1ccc(O)cc1O2 ZINC000086053341 KK Annotated Anodyne C/C=C1C(=C\C2=N/C(=C\c3[nH]c(/C=C4\NC(=O)C(CC)=C4C)c(C)c3CCC(=O)O)C(CCC(=O)O)=C2C)\NC(=O)[C@H]\1C ZINC000087493180 KK Annotated Anodyne in-vitro CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=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 ZINC000087496065 KK Annotated Anodyne in-vitro CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000087496245 KK Annotated Anodyne in-vitro O=C(O)CN(CC(=O)O)Cc1cccc(-c2cc(-c3c4ccccc4cc4ccccc34)cc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)n2)n1 ZINC000087496439 KK Annotated Bother in-vitro 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(/C)CCCC(C)(C)O)CO ZINC000087515149 KK Annotated Bother in-vitro CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000087515153 KK Annotated Bother in-vitro CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000087515156 KK Annotated Bother in-vitro CC(/C=C/C=C(\C)[C@H]1C=C2C(C)(C)C[C@H](O)C[C@]2(C)O1)=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 ZINC000087515158 KK Annotated Bother in-vitro biogenic CC(/C=C/C=C(\C)[C@@H]1C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1)=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 ZINC000087515162 KK Annotated Bother in-vitro O=P(OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1 ZINC000087515279 KK Annotated Mild in-vitro O=P(OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1 ZINC000087515283 KK Annotated Mild in-vitro O=P(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(N1CCOCC1)N1CCOCC1 ZINC000087515288 KK Annotated Mild in-vitro Brc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccc(Br)cc3)c3c2-c2cccc4cccc-3c24)cc1 ZINC000087515419 KK Annotated Anodyne in-vitro CCCCCCCCCc1c(CCCCCCCC)c(-c2ccc(Br)cc2)c2c(c1-c1ccc(Br)cc1)-c1cccc3cccc-2c13 ZINC000087515421 KK Annotated Mild in-vitro CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2 ZINC000087515559 KK Annotated Anodyne in-vitro c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1c2c2c3c4c3c5c6c4c7c8c5c9c%10c6c%11c%12c1c1c2c3c4c5c61 ZINC000087515584 KK Annotated Bother in-vitro CC1(C)c2[nH]c(c(F)c2F)C(C)(C)c2[nH]c(c(F)c2F)C(C)(C)c2[nH]c(c(F)c2F)C(C)(C)c2[nH]c(c(F)c2F)C(C)(C)c2[nH]c1c(F)c2F ZINC000087515587 KK Annotated Mild in-vitro c1cc2cc3ccc4cc5cc6ccc7cc8ccc9cc%10ccc%11cc%12cc%13ccc%14cc1c1c2c2c3c4c3c5c4c6c7c5c8c9c6c%10c%11c7c%12c8c%13c%14c1c1c2c3c2c4c5c6c7c2c81 ZINC000087515592 KK Annotated Bother in-vitro CCc1c2oc(c1CC)Cc1oc(c(CC)c1CC)Cc1oc(c(CC)c1CC)Cc1oc(c(CC)c1CC)Cc1oc(c(CC)c1CC)C2 ZINC000087515595 KK Annotated Anodyne in-vitro Oc1cc(O)c2cc1Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)C2 ZINC000087515598 KK Annotated Anodyne in-vitro c1ccc2c(c1)-c1nc3nc(nc4[nH]c(nc5nc(nc6[nH]c(nc-2n1)c1ccccc61)-c1ccccc1-5)c1ccccc41)-c1ccccc1-3 ZINC000087515609 KK Annotated Bother in-vitro C[n+]1cccc2oc(/C=C3/C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN4C=C/C(=C/c5nc6c(ccc[n+]6C)o5)c5ccccc54)c4ccccc43)nc21 ZINC000087515841 KK Annotated Bother in-vitro CC[N+]1=C(/C=C/C=C/C=C2\N(C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21 ZINC000087520173 KK Annotated Reactive in-vitro CC[N+]1=C(/C=C/C=C/C=C/C=C2\N(C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21 ZINC000087520174 KK Annotated Reactive in-vitro CC(C)c1cccc(C(C)C)c1-n1c(=O)c2ccc3c4ccc5c6ccc7c(=O)n(-c8c(C(C)C)cccc8C(C)C)c(=O)c8ccc(c9ccc(c%10ccc(c1=O)c2c3%10)c4c59)c6c78 ZINC000087520175 KK Annotated Bother in-vitro Nc1ccccc1-c1c2ccc(n2)c(-c2ccccc2N)c2ccc([nH]2)c(-c2ccccc2N)c2ccc(n2)c(-c2ccccc2N)c2ccc1[nH]2 ZINC000087520176 KK Annotated Bother in-vitro CN1/C(=C/c2cc[n+](CCC[N+](C)(C)CCC[N+](C)(C)CCC[n+]3ccc(/C=C4\Sc5ccccc5N4C)c4ccccc43)c3ccccc23)Sc2ccccc21 ZINC000087520179 KK Annotated Clean in-vitro CC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccc(NC(=O)c2ccc(CCl)cc2)cc1C(=O)O)=c1cc2c(cc1O3)=[N+](C)C(C)(C)C=C2C ZINC000087520189 KK Annotated Reactive in-vitro CC1=C(C/C=C(\C)CCC[C@H](C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)OS(=O)(=O)O)C(=O)c2ccccc2C1=O ZINC000087520283 KK Annotated Mild in-vitro CCCCCCCC/C=C\CCCCCCCCOC[C@@H](C[N+](C)(C)CCNC(=O)[C@@H](CCCNCCCN)NCCCN)OCCCCCCCC/C=C\CCCCCCCC ZINC000087520325 KK Annotated Mild in-vitro CCCCCCCC/C=C\CCCCCCCCOC[C@H](C[N+](C)(C)CCNC(=O)[C@@H](CCCNCCCN)NCCCN)OCCCCCCCC/C=C\CCCCCCCC ZINC000087520326 KK Annotated Mild in-vitro CCCCCCCC/C=C\CCCCCCCCOC[C@@H](C[N+](C)(C)CCNC(=O)[C@H](CCCNCCCN)NCCCN)OCCCCCCCC/C=C\CCCCCCCC ZINC000087520327 KK Annotated Mild in-vitro CCCCCCCC/C=C\CCCCCCCCOC[C@H](C[N+](C)(C)CCNC(=O)[C@H](CCCNCCCN)NCCCN)OCCCCCCCC/C=C\CCCCCCCC ZINC000087520328 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O ZINC000087520372 KK Annotated Mild in-vitro CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C(SCCC(=O)NCCCCCC(=O)NCCCCCC(=O)ON5C(=O)CCC5=O)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000087527567 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCC[C@H](NC(=O)[C@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000087527921 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCC[C@@H](NC(=O)[C@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000087527928 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCC[C@H](NC(=O)[C@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000087527930 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCC/C=C\C(=O)NCCCC[C@@H](NC(=O)[C@]1(C)COC(c2ccccc2O)=N1)C(=O)O[C@H](C)CC(=O)N[C@@H]1CCCCNC1=O ZINC000087527936 KK Annotated Mild in-vitro CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O ZINC000087528329 KK Annotated Bother in-vitro CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@H](C)CCC=C(C)C)[C@@]1(C)CC3 ZINC000087529062 KK Annotated Anodyne in-vitro O=C(c1ccccc1O)c1[nH]c(Cl)c(Cl)c1-n1c(Cl)c(Cl)c(Br)c1C(=O)c1ccccc1O ZINC000087529597 KK Annotated Anodyne in-vitro CO[C@@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@H]1NCCc2cc(O)c(O)cc21 ZINC000087529632 KK Annotated Clean in-vitro CO[C@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@H]1NCCc2cc(O)c(O)cc21 ZINC000087529638 KK Annotated Clean in-vitro CO[C@@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@@H]1NCCc2cc(O)c(O)cc21 ZINC000087529641 KK Annotated Clean in-vitro CO[C@H](/C=C/CCCCCCCCCCCC[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](C)N)CCCCCCC[C@@H]1NCCc2cc(O)c(O)cc21 ZINC000087529645 KK Annotated Clean in-vitro CCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530128 KK Annotated Mild in-vitro CCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530131 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530145 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530147 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530159 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530162 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530177 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530180 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530196 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530199 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530211 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530213 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530227 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530230 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530250 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530253 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530279 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530282 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530312 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530315 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530346 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530348 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530374 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530376 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530386 KK Annotated Mild in-vitro CCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C ZINC000087530387 KK Annotated Mild in-vitro CC1=C(CC(=O)O)c2cc(I)ccc2/C1=C\c1cccc(OCc2ccccc2)c1 ZINC000087722278 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000088260758 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCCC1)CC2 ZINC000088260759 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2 ZINC000088260760 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCCC1)CC2 ZINC000088260761 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCC1)CC2 ZINC000088260768 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](N1CCC1)CC2 ZINC000088260769 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCC1)CC2 ZINC000088260770 KK Annotated Anodyne O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](N1CCC1)CC2 ZINC000088260771 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](NC(C)C)CC2 ZINC000088261103 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@H](NC(C)C)CC2 ZINC000088261104 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](NC(C)C)CC2 ZINC000088261105 KK Annotated Anodyne CCCS(=O)(=O)NCCCc1ccc2c(c1)[C@@H](Cc1ccc(Cl)c(Cl)c1)[C@@H](NC(C)C)CC2 ZINC000088261106 KK Annotated Anodyne C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3c2)C[C@@H](C)O1 ZINC000088343207 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088343656 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088343698 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC2)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088343699 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088343700 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC2)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088343701 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N(C)C)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000088343753 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088343873 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@@H]2C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088343874 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088343875 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@@H]2C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088343876 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCOCC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088344318 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088344400 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC[C@H]2C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000088344401 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088344402 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCCC[C@H]2C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000088344403 KK Annotated Anodyne CN(C(=O)c1ccccc1C(=O)O)C1=C(/C=[N+]2\CCc3ccccc32)CC/C1=C\N1CCc2ccccc21 ZINC000089210089 KK Annotated Clean Cc1ccc(S(=O)(=O)N(C)C2=C(/C=[N+]3\CCc4ccccc43)CC/C2=C\N2CCc3ccccc32)cc1 ZINC000089210094 KK Annotated Clean C=Cc1c2[nH]c(c1C)Cc1c(C=C)c(C)c(n1C)Cc1[nH]c(c(CCC(=O)O)c1C)Cc1[nH]c(c(C)c1CCC(=O)O)C2 ZINC000089424150 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)/C(=C/c3ccc(O)c(O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 ZINC000089455675 KK Annotated Mild Cc1ccc(S(=O)(=O)N2c3ccccc3C(=O)/C(=C/c3ccc(O)c(O)c3)[C@H]2c2ccc(O)c(O)c2)cc1 ZINC000089455678 KK Annotated Mild CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000089455855 KK Annotated Mild CC(C)NC(=N)c1ccc2[nH]c(C3[C@H](c4ccccc4)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)[C@@H]3c3ccccc3)nc2c1 ZINC000089456171 KK Annotated Anodyne C[C@@H]1CN(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](Cc2ccccc2)C(=O)O)CC[C@@]1(C)c1cccc(O)c1 ZINC000089465135 KK Annotated Anodyne O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1C[C@H](Cl)c2c(Br)sc(Br)c21 ZINC000089468948 KK Annotated Reactive O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1C[C@H](Cl)c2c(Br)sc(Br)c21 ZINC000089468951 KK Annotated Reactive O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1C[C@@H](Cl)c2c(Br)sc(Br)c21 ZINC000089468952 KK Annotated Reactive O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1C[C@@H](Cl)c2c(Br)sc(Br)c21 ZINC000089468953 KK Annotated Reactive [N-]=[N+]=Nc1ccc([N+](=O)[O-])c(C(=O)NCc2c(Cl)c(Cl)cc3c2Oc2cc(Cl)c(Cl)cc2O3)c1 ZINC000089469879 KK Annotated Mild [N-]=[N+]=Nc1ccc(C(=O)NCc2c(Cl)c(Cl)cc3c2Oc2cc(Cl)c(Cl)cc2O3)c(O)c1 ZINC000089469883 KK Annotated Mild O[C@H](CCCCCCCc1ccccc1)CN1C[C@H]2C[C@@H]1CN2C[C@H](O)CCCCCCCc1ccccc1 ZINC000089470204 KK Annotated Anodyne Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)[C@@H](/N=C(\O)[C@@H](O)C(F)(F)F)CC(C)(C)O2 ZINC000089821321 KK Annotated Mild Cc1cc(Cl)ccc1-c1nc2c(cc1-c1ccc(Cl)cc1)[C@H](/N=C(\O)[C@@H](O)C(F)(F)F)CC(C)(C)O2 ZINC000089821322 KK Annotated Mild CCC[C@@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@@H](O)CNC1=O ZINC000009307429 KK Annotated Anodyne in-vitro CCCCCCCCCCC[C@H](O)C/C(O)=N\[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC ZINC000094437792 KK Annotated Mild in-vitro metabolite CCCCCCCCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1/N=C(/O)C[C@@H](O)CCCCCCCCCCC ZINC000094437793 KK Annotated Mild in-vitro metabolite CCCCCCCCCCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)O)[C@@H]1/N=C(/O)C[C@H](O)CCCCCCCCCCC ZINC000094437794 KK Annotated Mild in-vitro metabolite CCCCCCCCCCCCCCCCCC(=O)OCCOC[C@@H](OCCOC)[C@H]1OC[C@@H](OCCOC)[C@@H]1OCCOC ZINC000094516738 KK Annotated Mild in-vitro Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CSCc3cccc(F)c3)N4)CC2)c1C ZINC000009505259 KK Annotated Anodyne Cc1cccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3cccc(F)c3)N4)CC2)c1C ZINC000009505267 KK Annotated Anodyne COc1ccc(Br)cc1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559738 KK Annotated Anodyne COc1ccc(Br)cc1C/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000009559739 KK Annotated Anodyne COc1ccc(Br)cc1C/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 ZINC000009559740 KK Annotated Anodyne COc1ccc(Br)cc1C/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 ZINC000009559741 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560952 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560953 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@H]1c1cn(C)c2ccccc12 ZINC000009560954 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009560955 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561086 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561087 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@H]1c1cn(C)c2ccccc12 ZINC000009561088 KK Annotated Anodyne COCCN1C(=O)c2ccccc2[C@H](/C(O)=N/CCc2ccc(Cl)cc2)[C@@H]1c1cn(C)c2ccccc12 ZINC000009561089 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)[C@]12C[C@]2(CCC=C(C)C)C(=O)O ZINC000009574214 KK Annotated Anodyne CCC[C@H]1OC(=O)[C@@H](C)C[C@@H](C)CCCCC(=O)CCC[C@@H](CC)/C=C/C=C(\COC)CC[C@@H](O)[C@@H](O)C[C@@H](O)CNC1=O ZINC000009574978 KK Annotated Anodyne in-vitro COc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009600706 KK Annotated Mild COc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000009600707 KK Annotated Mild COc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009601041 KK Annotated Mild COc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000009601042 KK Annotated Mild CCN(CCC/N=C(\O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12)c1cccc(C)c1 ZINC000009776821 KK Annotated Mild CCN(CCC/N=C(\O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12)c1cccc(C)c1 ZINC000009776823 KK Annotated Mild Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@@H]4c2cc(O)cc(O)c2)cc1 ZINC000095098768 KK Annotated Anodyne in-vitro biogenic C=C(C)CC[C@H](C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](Cc4ccc(O)c(O)c4)(C1=O)C(=O)[C@@](CC=C(C)C)(C2=O)C3(C)C)C(=C)C ZINC000095098910 KK Annotated Mild in-vitro biogenic C/C=C(\C)C(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)[C@H]5[C@H](C[C@@H](c6ccoc6)[C@@H]5C)O[C@H](OC)C[C@@H]4[C@]1(C)[C@@H]32 ZINC000095098917 KK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C(=O)O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4[C@@H](CC[C@H](O)C4(C)C)C3=CC[C@]12C)C(C)C ZINC000095098919 KK Annotated Mild in-vitro biogenic COc1cc2c(c(Oc3ccc(C[C@H]4c5cc(OC)c(OC)c(O)c5CCN4C)cc3)c1O)C[C@H]1c3c(c(O)c(OC)c(OC)c3-2)CCN1C ZINC000095098949 KK Annotated Anodyne in-vitro biogenic CC1(C)CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H](O)CCc6ccc(O)c(O)c6)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 ZINC000095098954 KK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H]1CC[C@]2(CO)CC[C@@H]3[C@H](CC[C@@H]4[C@@]5(C)C[C@H](OC(=O)/C=C/c6ccc(O)c(OC)c6)CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000095098955 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@@H](c3ccc(O)cc3)[C@H]2O)c(O)c1C(=O)/C=C/c1ccc(O)cc1 ZINC000095098974 KK Annotated Mild in-vitro biogenic Oc1ccc(C2=C[C@@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@@H](c3ccc(O)cc3)O2)cc1 ZINC000095098990 KK Annotated Anodyne in-vitro biogenic Oc1ccc(C2=C[C@@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@H](c3ccc(O)cc3)O2)cc1 ZINC000095098991 KK Annotated Anodyne in-vitro biogenic Oc1ccc(C2=C[C@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@@H](c3ccc(O)cc3)O2)cc1 ZINC000095098993 KK Annotated Anodyne in-vitro biogenic Oc1ccc(C2=C[C@H](c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O5)[C@H](c3ccc(O)cc3)O4)[C@H](c3ccc(O)cc3)O2)cc1 ZINC000095098995 KK Annotated Anodyne in-vitro biogenic CC(C)=C/C=C\c1c(O)c2c(c(O)c1-c1c(O)c3c(c(O)c1CCC=C(C)C)C(=O)CCC3=O)C(=O)CCC2=O ZINC000095099036 KK Annotated Clean in-vitro biogenic C=C/C(C)=C/C[C@]1(C)[C@@H](C)C[C@@H](OC(=O)c2ccc(O)cc2)[C@@]23C(=C[C@H](OC(C)=O)C[C@@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000095099053 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)C(=CC[C@H]3[C@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)[C@@]12C ZINC000095099075 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C2=CC[C@@]3(C)[C@H]([C@H](C)C[C@@H](O)[C@@H](O)C(C)(C)O)CC[C@@]3(C)[C@@H]21 ZINC000095099076 KK Annotated Anodyne in-vitro biogenic COc1cc(O)c([C@@H](/C=C/CCC[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000095099102 KK Annotated Anodyne in-vitro biogenic COc1cc(O)c([C@@H](O)C[C@H](/C=C/C[C@@H](O)CCc2ccc(O)cc2)c2ccc(O)cc2)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000095099103 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@H]2C(C)(C)[C@@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)[C@]2(C)[C@H]2CC[C@@]3(C)C(=CC[C@@H]3[C@@H]3C[C@H]([C@@H](O)C(C)(C)O)O[C@H]3O)[C@@]12C ZINC000095099192 KK Annotated Anodyne in-vitro biogenic CC(C)=C[C@@H](C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](OC(=O)c4ccccc4)C=C4[C@@H](CC[C@H](OC(=O)c5ccccc5)C4(C)C)[C@]3(C)CC[C@]12C)OC(=O)c1ccccc1 ZINC000095099305 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1C[C@]2(C)[C@@H]3OC[C@]4(O)[C@@H](OC(C)=O)C[C@@H](OC(=O)c5ccccc5)[C@@](C)([C@@H]34)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)C(=C1C)C2(C)C ZINC000095099338 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C)CC)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000095099347 KK Annotated Anodyne C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C)CC)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000095099349 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2[C@H](OC(=O)[C@H](O)C(C)C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000095099351 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@]2(C)[C@H](OC(=O)[C@H](O)C(C)C)C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@@H]12 ZINC000095099354 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@]2(C)[C@H](OC(=O)[C@H](O)[C@H](C)CC)C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@@H]12 ZINC000095099357 KK Annotated Anodyne C/C=C(/C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2[C@H](OC(=O)[C@H](O)/C(C)=C/C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000095099358 KK Annotated Anodyne CC(C)=CCCC1=C[C@@H](c2c(O)cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2O)O3)[C@H](C(=O)c2ccc(O)c(CC=C(C)C)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000095099396 KK Annotated Anodyne in-vitro biogenic CC(C)=CC[C@@]12Oc3cc(O)c(C4=C[C@@]5(C)C[C@@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@@]1(O)Oc1cc(O)ccc12 ZINC000095099399 KK Annotated Anodyne in-vitro biogenic C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(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 ZINC000095099541 KK Annotated Bother in-vitro biogenic C/C(C=C=C1C(C)(C)C[C@@H](O)C[C@]1(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 ZINC000095099543 KK Annotated Bother in-vitro biogenic C=C(C)CC[C@]1(C[C@H]2C[C@@H](C(=C)C)C2(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C2O[C@@H](C)[C@H](C)C(=O)C2=C1O ZINC000095099589 KK Annotated Mild in-vitro biogenic CO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C(=O)O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=C[C@](C)(CCC=C(C)C)O4 ZINC000095099601 KK Annotated Anodyne in-vitro biogenic C=C(C)CC[C@@H](C[C@@]1(CC=C(C)C)C(=O)C([C@H](CCC)CC(=O)O)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O)C(=C)C ZINC000095099603 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C/C=C(/C)C/C(C)=C/C[C@]2(C1)C(=O)C([C@@H](CC(=O)O)c1ccccc1)=C(O)C1=C2O[C@H](C)[C@@H](C)C1=O ZINC000095099613 KK Annotated Mild in-vitro biogenic CC1=C(C(=O)Oc2ccccc2)C2(C)[C@@H]3C(=O)N(c4ccc(C)cc4Br)C(=O)[C@H]3C1[C@H]1C(=O)N(c3ccc(C)cc3Br)C(=O)[C@H]12 ZINC000095100824 KK Annotated Anodyne CC1=C(C(=O)Oc2ccccc2)C2(C)[C@@H]3C(=O)N(c4ccc(C)cc4Br)C(=O)[C@H]3C1[C@@H]1C(=O)N(c3ccc(C)cc3Br)C(=O)[C@H]12 ZINC000095100825 KK Annotated Anodyne COc1c2c(cc(O)c1-c1cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc13)C[C@H](C)N=C2C ZINC000095485882 KK Annotated Clean in-vitro biogenic COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@H](C3)CN1C)[C@H](Cc1ccccc1O)N(C)CC2 ZINC000095485886 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1Cc1c3c(cc(OC)c1OC)[C@@H]1c4cc(OC)c(OC)cc4[C@H](C3)CN1C)[C@H](Cc1ccccc1OC)N(C)CC2 ZINC000095485888 KK Annotated Anodyne in-vitro biogenic COc1cc2c(cc1O)[C@@H]1Cc3c(cc(OC)c(OC)c3Cc3cc4c(cc3OC)CCN(C)[C@H]4Cc3ccc(O)cc3)[C@H]2N(C)C1 ZINC000095485889 KK Annotated Anodyne in-vitro biogenic COc1cc2c3c(c1)Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3NCC2)N(C)CC4 ZINC000095485898 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCC/C=C/[C@H](O)C(=O)N[C@@H](CO)[C@@](C)(O)/C=C/CCCCCCCCCCCCCCCCCC ZINC000095485913 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(-c3ccc(O[C@@H](CO)CCCCCCCCCCCCCCCCCCCCCCCC)cc3)coc12 ZINC000095485925 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@H]1C[C@@]23C[C@H](CCC=C(C)C)C(C)(C)[C@@](CCC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000095485968 KK Annotated Mild in-vitro biogenic CC/C(C)=C/CCc1c2c(c(O)c3c(=O)c4cc(O)c(CCC=C(C)C)c(O)c4oc13)C=CC(C)(C)O2 ZINC000095485969 KK Annotated Bother in-vitro biogenic CC(C)=CCC/C(C)=C/CCc1cc(O)c2c(O)c3c(cc2c1)[C@@H](c1c(C)cc(O)c2c1C(=O)c1cc(O)cc(O)c1C2=O)[C@@](C)(O)CC3=O ZINC000095485976 KK Annotated Clean in-vitro biogenic CC(C)=CCCc1c(O)ccc([C@@]23Oc4cc(O)ccc4[C@H]4CC(C)=C[C@@H](c5c(O)cc(-c6cc7ccc(O)cc7o6)cc5O2)[C@@H]43)c1O ZINC000095485989 KK Annotated Anodyne in-vitro biogenic C/C(=C\CC/C=C(\C)CC[C@@H](O)[C@]1(C)CC[C@](C)(C(C)(C)O)O1)CC[C@@H](O)[C@@H]1CC[C@@H](C(C)(C)O)O1 ZINC000095486032 KK Annotated Anodyne in-vitro biogenic COC1=C(C(C)C)[C@]2(OC)Oc3c(cc(OC)c(C(C)C)c3OC)C[C@H]2[C@@]2(CC[C@@H]3C[C@H](OC)[C@@H](C(C)C)[C@H](OC)[C@H]3O2)C1=O ZINC000095486067 KK Annotated Mild in-vitro biogenic CC(C)=CCC[C@@H]1[C@H](C/C=C/C(C)C)C[C@H]2C=C(C(=O)c3ccc(O)c(O)c3)C(=O)[C@]1(C=C(C)C)C2=O ZINC000095486108 KK Annotated Mild in-vitro biogenic CC1(C)CC[C@]2(C(=O)O)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3[C@@](C)(OC(=O)Oc5ccc(O)cc5)CC[C@@H](O)[C@]43C)[C@@H]2C1 ZINC000095486111 KK Annotated Anodyne in-vitro biogenic COc1c2c(cc(O)c1-c1cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3ccc(C)cc13)C[C@H](C)N=C2C ZINC000095486142 KK Annotated Clean in-vitro biogenic COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)NC4)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@H](C)C[C@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095486175 KK Annotated Clean in-vitro biogenic COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)c(O)cc5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095486182 KK Annotated Clean in-vitro biogenic COc1cc(C)cc2c(C3=C(O)C=C(O)[C@@H]4[C@@H]3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)c(O)cc5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095486185 KK Annotated Clean in-vitro biogenic COc1cc(C)cc2c(C3=C(O)C=C(O)[C@@H]4[C@@H]3C[C@@H](C)N(C)[C@@H]4C)cc(-c3cc(-c4c(O)c(O)cc5c4C[C@@H](C)N[C@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095486188 KK Annotated Clean in-vitro biogenic COc1cc(C)cc2c(C3=C(O)C=C(O)[C@@H]4[C@@H]3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)c(O)cc5c4C[C@@H](C)N=C5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095486192 KK Annotated Clean in-vitro biogenic COc1cc2c3c(c1OC)OOc1cccc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)NCC4 ZINC000095486198 KK Annotated Reactive in-vitro biogenic c1ccc2c(c1)c(-c1c3ccccc3c3c4c(cc5cc[nH]c1c53)OCO4)c1[nH]ccc3cc4c(c2c31)OCO4 ZINC000095486217 KK Annotated Bother in-vitro biogenic CC(C)=CCC/C(C)=C/Cc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)O3)cc1O ZINC000095486303 KK Annotated Anodyne in-vitro biogenic COOc1cc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]1C2 ZINC000095486304 KK Annotated Reactive in-vitro biogenic COc1cc(/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COCC(=O)O)OCC(=O)O)ccc1OCC(=O)O ZINC000095486338 KK Annotated Anodyne in-vitro biogenic COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)C[C@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095486376 KK Annotated Clean in-vitro biogenic CC(C)=CCc1c(O)ccc([C@]23Oc4cc(O)ccc4[C@H]4CC(C)=C[C@@H](c5c(O)cc(-c6cc7ccc(O)cc7o6)cc5O2)[C@@H]43)c1O ZINC000095486378 KK Annotated Anodyne in-vitro biogenic COc1cc(O)c(-c2cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2 ZINC000095535639 KK Annotated Clean c1cc2nc(c1)C[n+]1ccn(c1)Cc1cc3ccccc3nc1Oc1ccc3ccccc3c1-c1c(ccc3ccccc13)Oc1nc3ccccc3cc1Cn1cc[n+](c1)C2 ZINC000095535649 KK Annotated Anodyne CCC(=O)OC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095535650 KK Annotated Anodyne C=C1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)c2nc(oc2-c2ccccc2)-c2nc(oc2C)-c2csc(n2)-c2coc(n2)-c2nc1oc2C ZINC000095535660 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000095535693 KK Annotated Anodyne CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)Nc1nc(cs1)CCC/C=C/c1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095535704 KK Annotated Mild CCCCCCCCC[C@H]1C[C@H]2CC[C@H]3C(C(=O)OCc4ccc(COC(=O)C5=C(C)NC6=[N+]7[C@H]5CC[C@@H]7C[C@H](CCCCCCCCC)N6)cc4)=C(C)NC(=[N+]32)N1 ZINC000095535720 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)cc([C@@H]2c3c(cc(OC(C)=O)c4c3O[C@H](c3ccc(OC(C)=O)c(OC(C)=O)c3)[C@@H](O)C4)O[C@H]2c2ccc(OC(C)=O)c(OC(C)=O)c2)c1 ZINC000095535761 KK Annotated Anodyne Nc1ccc2c(S(=O)(=O)O)c(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)cc(N)c6c5O)cc4)cc3)c(O)cc2c1 ZINC000095535763 KK Annotated Clean C=CC[N+]1(CCC(=O)OCCCCCCCCC[N+]2(CC=C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)CCc2c(cc(OC)c(OC)c2OC)C1 ZINC000095535792 KK Annotated Mild C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3F)c3ccc([nH]3)c(-c3cc[n+](C)cc3F)c3ccc([nH]3)c(-c3cc[n+](C)cc3F)c3ccc2n3)c(F)c1 ZINC000095535806 KK Annotated Clean COc1ccc2[nH]c3c(C)c4cc[n+](CC(=O)N(CCCCCN)CCOc5ccc(/C(=C(/Cl)c6ccccc6)c6ccccc6)cc5)cc4c(C)c3c2c1 ZINC000095535807 KK Annotated Mild C[N+](C)(C)c1ccc(-c2c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c([N+](C)(C)C)c3ccc(n3)c(-c3ccc(C(F)(F)F)cc3)c3ccc2[nH]3)cc1 ZINC000095535809 KK Annotated Bother Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C[N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(C[N+](C)(C)C)cc3)c3ccc2n3)cc1 ZINC000095535817 KK Annotated Bother CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095535830 KK Annotated Anodyne CC1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=CC(C)(C)O6)C4=O)C(=O)c4c(ccc5c4C=CC(C)(C)O5)C2=O)C3=O)O1 ZINC000095535844 KK Annotated Mild CC1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=CC(C)(C)O6)C4=O)C(=O)c4c(ccc5c4CCC(C)(C)O5)C2=O)C3=O)O1 ZINC000095535845 KK Annotated Mild CC[C@@H](c1cc(I)c(O)c(I)c1)[C@@H](CC)c1cc(I)c(O)c(I)c1 ZINC000095535850 KK Annotated Anodyne CC[C@H](c1cc(I)c(O)c(I)c1)[C@@H](CC)c1cc(I)c(O)c(I)c1 ZINC000095535851 KK Annotated Anodyne CC[C@H](c1cc(I)c(O)c(I)c1)[C@H](CC)c1cc(I)c(O)c(I)c1 ZINC000095535852 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2[C@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095535864 KK Annotated Reactive CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2[C@@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095535865 KK Annotated Reactive CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@H]2[C@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095535866 KK Annotated Reactive CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@H]2[C@@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095535867 KK Annotated Reactive NCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)Nc1ccc2c(CN3CCCC3)nn(Cc3c(Cl)cccc3Cl)c2c1)C(=O)NCc1ccccc1 ZINC000095535868 KK Annotated Anodyne COC1=C[C@@H]2OC(=O)C(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCc3cc(I)ccc3OC)=C[C@@H]2C=C1 ZINC000095536502 KK Annotated Anodyne COC1=C[C@@H]2OC(=O)C(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCc3cc(I)ccc3OC)=C[C@H]2C=C1 ZINC000095536503 KK Annotated Anodyne COC1=C[C@H]2OC(=O)C(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCc3cc(I)ccc3OC)=C[C@@H]2C=C1 ZINC000095536504 KK Annotated Anodyne COC1=C[C@H]2OC(=O)C(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCc3cc(I)ccc3OC)=C[C@H]2C=C1 ZINC000095536505 KK Annotated Anodyne [N-]=[N+]=Nc1ccc(C(=O)NCCCNCCCCCCNCCCCCCCCCCCCNCCCCCCNCCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(O)c1 ZINC000095536512 KK Annotated Mild CO[C@H]1CCC[C@@H](C)C[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](C(=O)Oc2ccccc2)[C@H](C)[C@@H](C(C)C)O1 ZINC000095536559 KK Annotated Anodyne CO[C@H]1CCC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C[C@@H](C)C[C@@H](OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(OC)C[C@@H](C(=O)Oc2ccccc2)[C@H](C)[C@@H](C(C)C)O1 ZINC000095536560 KK Annotated Anodyne CO[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)C[C@H](C)CCC[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000095536561 KK Annotated Anodyne CO[C@@H]1C[C@H](C)C[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)CCC[C@@H](OC)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@]2(OC)C[C@@H](C(=O)Oc3ccccc3)[C@H](C)[C@@H](C(C)C)O2)OC1=O ZINC000095536562 KK Annotated Anodyne CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](/N=C(\O)C(F)(F)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095536574 KK Annotated Mild CC(C)CCCCCc1c(I)c(CCCCCC(C)C)c(I)c(CCCCCC(C)C)c1I ZINC000095536589 KK Annotated Anodyne CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@@H]3C[C@H](N=[N+]=[N-])[C@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000095536602 KK Annotated Clean CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@H]3C[C@H](N=[N+]=[N-])[C@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000095536603 KK Annotated Clean CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@@H]3C[C@@H](N=[N+]=[N-])[C@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000095536604 KK Annotated Clean CCc1c(Sc2cc(C)cc(C)c2)n(CCCCC(=O)NCCCCCCCCCCNC(=O)CCn2c(=O)c(C)cn([C@H]3C[C@@H](N=[N+]=[N-])[C@H](CO)O3)c2=O)c(=O)[nH]c1=O ZINC000095536605 KK Annotated Clean CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc(C(=O)c4ccccc4)cc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095536619 KK Annotated Anodyne CNCC(=O)OCc1c(F)cccc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095536620 KK Annotated Mild CNCC(=O)OCc1c(F)cccc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095536621 KK Annotated Mild CCN(CC)C[C@H]1S[C@@H](c2ccccc2O)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095536632 KK Annotated Clean CCN(CC)C[C@@H]1S[C@@H](c2ccccc2O)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095536633 KK Annotated Clean CCN(CC)C[C@H]1S[C@H](c2ccccc2O)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095536634 KK Annotated Clean CCN(CC)C[C@@H]1S[C@H](c2ccccc2O)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095536635 KK Annotated Clean CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC ZINC000095536684 KK Annotated Reactive CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)c1OCCCCCCC ZINC000095536686 KK Annotated Reactive FC(F)(F)c1nc(OCc2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)c2ccccc2n1 ZINC000095536710 KK Annotated Mild O=c1c2ccccc2nc(-c2c(F)cccc2F)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095536711 KK Annotated Mild CCOP(=O)(OCC)[C@H](Nc1ccc(S(=O)(=O)c2ccc(N[C@@H](c3ccc(O)c(OC)c3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(O)c(OC)c1 ZINC000095536714 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(S(=O)(=O)c2ccc(N[C@@H](c3ccc(O)c(OC)c3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(O)c(OC)c1 ZINC000095536715 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(S(=O)(=O)c2ccc(N[C@H](c3ccc(O)c(OC)c3)P(=O)(OCC)OCC)cc2)cc1)c1ccc(O)c(OC)c1 ZINC000095536716 KK Annotated Anodyne COc1cc(CN(Cc2ccc(CN(Cc3cc(OC)c(O)c(OC)c3)Cc3cc(OC)c(O)c(OC)c3)cc2)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O ZINC000095536720 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@@H](c3cc(OC)c(OC)c(OC)c3)P(=O)(OCC)OCC)cc2)cc1)c1cc(OC)c(OC)c(OC)c1 ZINC000095536721 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](Nc1ccc(Cc2ccc(N[C@@H](c3cc(OC)c(OC)c(OC)c3)P(=O)(OCC)OCC)cc2)cc1)c1cc(OC)c(OC)c(OC)c1 ZINC000095536722 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](Nc1ccc(Cc2ccc(N[C@H](c3cc(OC)c(OC)c(OC)c3)P(=O)(OCC)OCC)cc2)cc1)c1cc(OC)c(OC)c(OC)c1 ZINC000095536723 KK Annotated Anodyne CCCCCCCOc1c(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)sc(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)c1OCCCCCCC ZINC000095536735 KK Annotated Reactive CCCOc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Br)sc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Br)c1OCCC ZINC000095536776 KK Annotated Reactive CCOc1ccc(N2C(=O)N(c3c(CC)cc(Cc4cc(CC)c(N5C(=N)C(=S)N(c6ccc(OCC)cc6)C5=O)c(CC)c4)cc3CC)C(=N)C2=S)cc1 ZINC000095536779 KK Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)N=C(N2)N43)O1 ZINC000095536795 KK Annotated Anodyne CN(CCNC(=O)CCCCC(=O)NCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095536801 KK Annotated Anodyne CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@@H](CC)CCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]43)N2)O1 ZINC000095536806 KK Annotated Anodyne CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@H](CC)CCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]43)N2)O1 ZINC000095536807 KK Annotated Anodyne CN(CCNC(=O)CCC(=O)NCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095536808 KK Annotated Anodyne CN(CCNC(=O)CC(=O)NCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095536811 KK Annotated Anodyne O=c1c2ccccc2nc(C(F)(F)F)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095536813 KK Annotated Mild CCCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)C(C)(C)OC(=O)CCC)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095536814 KK Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1cc(COc2nc(-c3ccccc3)nc3ccccc23)nn1 ZINC000095536817 KK Annotated Mild CC(C)CC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)C(C)(C)OC(=O)CC(C)C)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095536821 KK Annotated Anodyne FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1nncc1COc1nc(-c2ccccc2)nc2ccccc12 ZINC000095536822 KK Annotated Mild O=c1c2ccccc2nc(-c2ccccc2)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095536823 KK Annotated Mild COC(=O)[C@H](Cc1ccccc1)/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@@H](Cc5ccccc5)C(=O)OC)c4c3O)c(O)c12 ZINC000095536828 KK Annotated Mild CCCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)C(C)(C)OC(=O)CCC)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095536835 KK Annotated Anodyne CCCOc1c(C(=O)N/N=C(\c2ccccc2)c2ccc(Br)s2)sc(C(=O)N/N=C(\c2ccccc2)c2ccc(Br)s2)c1OCCC ZINC000095536855 KK Annotated Reactive CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@@H](CC)CCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]43)N2)O1 ZINC000095536860 KK Annotated Anodyne CC/C=C/[C@@H]1CC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)O[C@H](CC)CCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)NC(=[N+]43)N2)O1 ZINC000095536861 KK Annotated Anodyne CC[C@@H]1C=CCC[C@]2(C[C@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCC[C@@H]5O[C@](O)(CCN)[C@H](O)N(CCCN)C5=O)[C@@]5(CCC[C@H](C)O5)N=C(N2)N43)O1 ZINC000095536864 KK Annotated Anodyne CN(CCNC(=O)CCCC(=O)NCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095536866 KK Annotated Anodyne CN(CCNC(=O)CCCCCC(=O)NCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095536873 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)NCCCCCc1cc(OC)cc3nc(-c4ccccc4)cc(c13)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095536900 KK Annotated Mild CC(C)(C)Oc1ccc(C[C@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]32)cc1 ZINC000095536910 KK Annotated Anodyne CC1(C)c2ccc(CN3C/C(=C\c4ccc(F)cc4)C(=O)/C(=C/c4ccc(F)cc4)C3)cc2C(C)(C)N1[O] ZINC000095536920 KK Annotated Mild COC(=O)[C@H](N=[N+]=[N-])[C@@H]1O[C@@H](n2cnc3nc(NC(C)=O)nc(Cl)c32)[C@@H]2OC[C@H](OCc3ccccc3)[C@]2(OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000095536923 KK Annotated Clean CCCCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCCC)[C@@H](OC(=O)CCCC)C(C)(C)OC(=O)CCCC)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095536930 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)C1CC1)[C@@H](OC(=O)C1CC1)C(C)(C)OC(=O)C1CC1)C1=C2C[C@H](OC(=O)C3CC3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095536935 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)CC(=O)N(C(C)C)CCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095536938 KK Annotated Mild CC(=O)OC(C)(C)[C@H](OC(=O)c1ccccc1)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)c3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)c1ccccc1 ZINC000095536945 KK Annotated Anodyne CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000095536962 KK Annotated Mild O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000095536968 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)C)Nc1nc(cs1)CCCCc1ccc3nc(-c4ccccc4)cc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095536986 KK Annotated Mild CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000095537339 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)Nc1nc(cs1)CCCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095537341 KK Annotated Mild C[C@@H](CCCCC(=O)OCCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 ZINC000095537349 KK Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)Nc1nc(cs1)CCC/C=C/c1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095537361 KK Annotated Mild CC(C)[C@@]12CC[C@]3(COC(=O)c4ccccc4)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(-c3ccccc3)c(=O)n12 ZINC000095537367 KK Annotated Anodyne O=C1CC[C@H]2C[C@]34CN5CCCC/C=C\CC[C@](O)(C=C(c6nccc7c6[nH]c6c(O)cccc67)[C@@H]3CC5)[C@@H]4N2CC/C1=C/c1ccc(Br)cc1 ZINC000095537383 KK Annotated Mild C[C@@H](CCCCC(=O)OCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 ZINC000095537460 KK Annotated Reactive CN(CCCC#Cc1cc(C#CCCCN(C)[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)cc(C#CCCCN(C)[C@@]2(C)[C@@H]3CC[C@@H](C3)C2(C)C)c1)[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000095537462 KK Annotated Mild COc1ccc(C2=CN3C(=O)c4cc(OC)c(OCCCOc5cc6c(cc5OC)C(=O)N5C=C(c7ccc(OC)cc7)C[C@H]5C=N6)cc4N=C[C@@H]3C2)cc1 ZINC000095537469 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C/CCCS(=O)(=O)/N=C/1O ZINC000095537474 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)cc([C@H]2c3c(/C=C/c4ccc(OC(C)=O)c(OC(C)=O)c4)cc(OC(C)=O)cc3O[C@@H]2c2ccc(OC(C)=O)c(OC(C)=O)c2)c1 ZINC000095537477 KK Annotated Anodyne CC(=O)Oc1cc(/C=C/c2ccc3c(c2)O[C@H](c2ccc(OC(C)=O)c(OC(C)=O)c2)[C@@H](c2cc(OC(C)=O)cc(OC(C)=O)c2)O3)cc(OC(C)=O)c1 ZINC000095537485 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CCS(=O)(=O)/N=C/1O ZINC000095537490 KK Annotated Anodyne N=C(Nc1ccc(-c2ccc(-c3ccc(/N=C(\N)c4ccc(Br)cn4)cc3OC3CCCC3)o2)c(OC2CCCC2)c1)c1ccc(Br)cn1 ZINC000095537505 KK Annotated Mild CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)C/C=C/CCS(=O)(=O)/N=C/1O ZINC000095537511 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)C/C=C/CS(=O)(=O)/N=C/1O ZINC000095537512 KK Annotated Anodyne CC(C)[C@@]12CC[C@]3(COC(=O)C4CCCCC4)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)C5CCCCC5)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C(C)(C)C)c(=O)n12 ZINC000095537520 KK Annotated Anodyne CC(C)COc1cc(NC(=N)c2ccc(Br)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(Br)cn3)cc2OCC(C)C)o1 ZINC000095537523 KK Annotated Anodyne CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C(C)C)[C@@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095537866 KK Annotated Mild CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C(C)C)[C@@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095537867 KK Annotated Mild CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C(C)C)[C@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095537868 KK Annotated Mild CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@H](C(C)C)[C@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095537869 KK Annotated Mild CNCC(=O)OCc1ccc(Cl)cc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095537870 KK Annotated Mild CNCC(=O)OCc1ccc(Cl)cc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095537871 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](I)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl ZINC000095537879 KK Annotated Reactive COC(=O)c1c(C)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]c(C)c(C(=O)OC)c32)cc1 ZINC000095537899 KK Annotated Reactive CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CCCS(=O)(=O)/N=C/1O ZINC000095537961 KK Annotated Anodyne CC(C)[C@@]12CC[C@]3(COC(=O)C4CCCCC4)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)C5CCCCC5)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000095537972 KK Annotated Anodyne CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c2ccc(Oc3cc(-c4ccccc4)nc4cc(OC)ccc34)c(c2)/C=C\CCCS(=O)(=O)/N=C/1O ZINC000095537973 KK Annotated Anodyne CC(C)Oc1cc(NC(=N)c2ccc(Br)cn2)ccc1-c1ccc(-c2ccc(NC(=N)c3ccc(Br)cn3)cc2OC(C)C)o1 ZINC000095537974 KK Annotated Anodyne CCC[C@H](NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)(C)C)C(=O)O ZINC000095537982 KK Annotated Anodyne FC(F)(F)C(F)(F)c1nc2c(I)c(I)c(I)c(I)c2[nH]1 ZINC000095537989 KK Annotated Anodyne COc1ccc2c(c1)c1c3c[n+](CCN4CCC(CCC5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C ZINC000095538125 KK Annotated Bother CC(=O)Oc1cc(OC(C)=O)cc([C@H]2c3c(cc(OC(C)=O)c4c3O[C@H](c3ccc(OC(C)=O)c(OC(C)=O)c3)[C@@H](O)C4)O[C@@H]2c2ccc(OC(C)=O)c(OC(C)=O)c2)c1 ZINC000095538139 KK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCCC[P@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095538157 KK Annotated Reactive CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCCC[P@@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095538158 KK Annotated Reactive COc1cc(OC)c2c(c1OC)O[C@H]1c3c(OC)cc(OC)c(OC)c3O[C@H](c3ccc(Br)cc3)[C@H]1[C@@H]2/C=C/c1ccc(Br)cc1 ZINC000095538241 KK Annotated Anodyne CC(=O)Nc1cc(/N=N/c2ccc(NC(=O)c3ccc(N)cc3)cc2C)c(S(=O)(=O)O)cc1/N=N/c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1 ZINC000095538282 KK Annotated Clean CCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O ZINC000095538397 KK Annotated Mild COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)[C@@H](c1c(O)c(CC=C(C)C)c(O)c2c(=O)c3c(CC=C(C)C)c(OC)c(O)cc3oc12)[C@H](C(C)(C)O)O4 ZINC000095538406 KK Annotated Bother C/C=C/C(=O)O[C@H]1[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(C[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O ZINC000095538479 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@H]1COC(c2ccccc2O)=N1)C(=O)O[C@@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O ZINC000095538490 KK Annotated Mild COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3cc(Br)c(F)cc3Br)o2)c(Cl)c(N(C)S(C)(=O)=O)n1 ZINC000095538508 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095538512 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095538513 KK Annotated Mild CCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)OC(=O)C(=O)NCCC)O4)CC[C@]23C)C1(C)C ZINC000095538523 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095538524 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095538525 KK Annotated Anodyne CC(C)c1cc2c3c(c1OC(=O)c1ccccc1C(=O)Oc1c(C(C)C)cc4c5c1OC(=O)[C@@]51CCCC(C)(C)[C@@H]1CC4)OC(=O)[C@]31CCCC(C)(C)[C@@H]1CC2 ZINC000095538527 KK Annotated Anodyne CC(C)c1cc2c3c(c1OC(=O)c1ccccc1C(=O)Oc1c(C(C)C)cc4c5c1OC(=O)[C@@]51CCCC(C)(C)[C@@H]1CC4)OC(=O)[C@]31CCCC(C)(C)[C@H]1CC2 ZINC000095538528 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCCOCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095539219 KK Annotated Anodyne CC(C)(CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O ZINC000095539224 KK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC[C@H]1C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095539227 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC[C@H]1C(=O)O[C@@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095539228 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N1CCC[C@H]1C(=O)O[C@H](C)CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095539229 KK Annotated Anodyne CNCCc1cc(Br)c(OCCCNC(=O)C2=NO[C@]3(C2)CC(Br)=C(OC)C(Br)=CO3)c(Br)c1 ZINC000095539237 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000095539240 KK Annotated Reactive O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000095539241 KK Annotated Reactive O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000095539242 KK Annotated Reactive CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095539245 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095539246 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)NC(C)(C)C)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)OC(=O)C(=O)NC(C)(C)C)O3)[C@@H]12 ZINC000095539247 KK Annotated Anodyne CC1(C)Cc2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)cc5-c1cc(OCCO)cc(OCCO)c1)CC4(C)C)cc3-c1cc(OCCO)cc(OCCO)c1 ZINC000095539253 KK Annotated Bother COc1cc(Cc2cnc(/N=C3\C(=O)N(CN4CCN(c5c(F)cc6c(=O)c(C(=O)O)cn(C7CC7)c6c5OC)C[C@@H]4C)c4ccc(C)cc43)nc2N)cc(OC)c1OC ZINC000095539254 KK Annotated Mild Cc1nc2sc3c(c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1)CCCC3 ZINC000095539257 KK Annotated Mild CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCC[P@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095539258 KK Annotated Reactive CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCC[P@@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095539259 KK Annotated Reactive O=C(NCCc1cc2cc(c1)CNC(=O)c1coc(n1)-c1coc(n1)-c1cc(Br)cc(n1)-c1nc(co1)-c1nc(co1)C(=O)NC2)OCc1ccccc1 ZINC000095539272 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 ZINC000095539277 KK Annotated Mild O=C1NCc2cc(Br)cc(c2)CNC(=O)c2coc(n2)-c2coc(n2)-c2cc(OCCCN3C(=O)c4ccccc4C3=O)cc(n2)-c2nc(co2)-c2nc1co2 ZINC000095539283 KK Annotated Anodyne O=C(CNC(=O)c1coc(-c2ccccc2)n1)NCC(=O)N[C@@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(=O)Nc1ccc(F)cc1F ZINC000095539306 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Oc2c(Cc3ccccc3O)c(O)c(Cc3cc(Cc4cc(Cc5cc(Cc6ccccc6O)ccc5O)ccc4O)ccc3O)c(O)c21 ZINC000095539336 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cc(Cc4ccccc4O)ccc3O)c(O)c(Cc3cc(Cc4cc(Cc5ccccc5O)ccc4O)ccc3O)c(O)c21 ZINC000095539372 KK Annotated Anodyne COCC/C(SC(=O)Oc1ccccc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)Oc1ccccc1 ZINC000095539432 KK Annotated Anodyne C/C(=C(\CCOC(=O)C(C)C)SC(=O)C(C)C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(=O)C(C)C)SC(=O)C(C)C ZINC000095539433 KK Annotated Anodyne COCC/C(SC(=O)OCCF)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCCBr ZINC000095539437 KK Annotated Reactive Oc1cc(O)cc([C@@H]2c3cc([C@@H]4Oc5cc(-c6cc7ccc(O)cc7o6)cc(O)c5[C@H]4c4cc(O)cc(O)c4)c(O)cc3O[C@H]2c2ccc(O)cc2O)c1 ZINC000095539477 KK Annotated Anodyne COCC/C(SC(=O)C(C)(C)OC(C)=O)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)C(C)(C)OC(C)=O ZINC000095539480 KK Annotated Anodyne CCC[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](Cc1nc(C2=N[C@@](C)(C3=N[C@@](C)(C(=O)N[C@@H]([C@@H](C)CC)[C@@H](O)[C@@H](C)C(=O)OCC)CS3)CS2)cs1)OC ZINC000095539494 KK Annotated Anodyne COCC/C(SC(=O)Oc1ccc([N+](=O)[O-])cc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000095539511 KK Annotated Reactive CC(C)(C)C(=O)OCC1=C[C@@H](OC(=O)C(C)(C)C)[C@@H]2CC(=O)O[C@@H](O[C@@H]3O[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12 ZINC000095539513 KK Annotated Anodyne COCC/C(SC(=O)OCCBr)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCCBr ZINC000095539526 KK Annotated Reactive CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6cc(O)c7c(=O)cc(-c8ccccc8)oc7c6O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095539535 KK Annotated Anodyne Cc1cc2c(C(C)C)c(O)c(O)c(/C=N/[C@@H](Cc3ccccc3)C(=O)O)c2c(O)c1-c1c(C)cc2c(C(C)C)c(O)c(O)c(/C=N/[C@@H](Cc3ccccc3)C(=O)O)c2c1O ZINC000095539558 KK Annotated Mild COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2ccc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000095539579 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2ccc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000095539580 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2ccc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000095539581 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2ccc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3c2)cc1 ZINC000095539582 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2cc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3[nH]2)cc1 ZINC000095539589 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2cc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3[nH]2)cc1 ZINC000095539590 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2cc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3[nH]2)cc1 ZINC000095539591 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2cc3cc(O[P@@](=O)(O)OCc4ccccc4)ccc3[nH]2)cc1 ZINC000095539592 KK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2CC(=O)c3c(cc(OC(C)=O)c(-c4c(OC(C)=O)cc5c(c4OC(C)=O)C(=O)C[C@H](c4ccc(OC(C)=O)cc4)O5)c3OC(C)=O)O2)cc1 ZINC000095539613 KK Annotated Anodyne CC(=O)Oc1ccc([C@H]2CC(=O)c3c(cc(OC(C)=O)c(-c4c(OC(C)=O)cc5c(c4OC(C)=O)C(=O)C[C@H](c4ccc(OC(C)=O)cc4)O5)c3OC(C)=O)O2)cc1 ZINC000095539614 KK Annotated Anodyne CC(=O)Oc1ccc([C@@H]2CC(=O)c3c(cc(OC(C)=O)c(-c4c(OC(C)=O)cc5c(c4OC(C)=O)C(=O)C[C@@H](c4ccc(OC(C)=O)cc4)O5)c3OC(C)=O)O2)cc1 ZINC000095539615 KK Annotated Anodyne C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000095539701 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O ZINC000095539702 KK Annotated Bother C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000095539703 KK Annotated Bother O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(c2ccncn2)CC1 ZINC000095539707 KK Annotated Anodyne Cc1cc(C)c[n+](CCCCCc2cc(CCCCC[n+]3cc(C)cc(C)c3)c(CCCCC[n+]3cc(C)cc(C)c3)cc2CCCCC[n+]2cc(C)cc(C)c2)c1 ZINC000095539733 KK Annotated Anodyne C[n+]1c(-c2cccc(OCCCCCCCCCCOc3cccc(-c4c5cc(N)ccc5c5ccc(N)cc5[n+]4C)c3)c2)c2cc(N)ccc2c2ccc(N)cc21 ZINC000095539747 KK Annotated Bother Cc1c(OC(=O)CCCCCNC(=O)[C@@H](N)C(C)C)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C ZINC000095539759 KK Annotated Anodyne Cc1cc[n+](CCCCCc2cc(CCCCC[n+]3ccc(C)c(C)c3)c(CCCCC[n+]3ccc(C)c(C)c3)cc2CCCCC[n+]2ccc(C)c(C)c2)cc1C ZINC000095539791 KK Annotated Anodyne O=C(Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)NCCCCCCCCCCCCO[P@](=O)(O)Oc1cccc(Cl)c1 ZINC000095539808 KK Annotated Anodyne CCC(=O)NC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095539841 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)C(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095539843 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCCCOC(=O)CC[N+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000095539844 KK Annotated Bother COc1ccc2[nH]c3c(C(=O)O)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(C(=O)O)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000095539855 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)c(CO)c3C2)cc1OC ZINC000095539856 KK Annotated Bother CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@@H](COC(=O)CCC(=O)OC[C@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000095539857 KK Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@@H](COC(=O)CCC(=O)OC[C@@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000095539858 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCCOC(=O)CC[N+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000095539865 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4o3)ccc2[nH]1 ZINC000095539866 KK Annotated Reactive CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@@H](COC(=O)CCCC(=O)OC[C@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000095539871 KK Annotated Anodyne CN(C(=O)Cc1cccc2occc12)[C@H]1CCCC[C@@H]1N1CC[C@@H](COC(=O)CCCC(=O)OC[C@@H]2CCN([C@@H]3CCCC[C@H]3N(C)C(=O)Cc3cccc4occc34)C2)C1 ZINC000095539872 KK Annotated Anodyne CCN(CC)Cc1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000095539879 KK Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(COC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000095539883 KK Annotated Reactive C[n+]1cccc(-c2c3ccc([nH]3)c(-c3cc4ccccc4[n+](C)c3)c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc2[nH]3)c1 ZINC000095539886 KK Annotated Bother COc1ccc2c(c1)c1c3c[n+](CCN4CCC(CC5CCN(CC[n+]6ccc7ccc8c(c7c6)c6cc(OC)ccc6n8C)CC5)CC4)ccc3ccc1n2C ZINC000095539891 KK Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8c(C)c9[nH]c%10ccc(OC)cc%10c9c(C)c8c7)CC6)CC5)cc4c(C)c3c2c1 ZINC000095539894 KK Annotated Bother CNCC(=O)OCc1cc(F)c(F)cc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095539918 KK Annotated Mild CNCC(=O)OCc1cc(F)c(F)cc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095539919 KK Annotated Mild COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCOC(=O)CC[N+]2(C)CCc3c(cc(OC)c(OC)c3OC)C2)cc1OC ZINC000095539920 KK Annotated Bother Cc1ccc(-c2c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095539922 KK Annotated Bother COc1ccc2[nH]c3c(C)c4cc[n+](CC(=O)NCCCCCNCCOc5ccc(/C(=C(/Cl)c6ccccc6)c6ccccc6)cc5)cc4c(C)c3c2c1 ZINC000095539924 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)CC(C)(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095539938 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1cc[n+](c1)Cc1ccc(cc1)-c1cccc(c1)-c1ccc(cc1)C[n+]1ccn(c1)Cc1ccc(cc1)C3=O ZINC000095539940 KK Annotated Anodyne CC[C@H]1C=CCC[C@]2(C[C@H]3CC[C@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095539941 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)C5CC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095539944 KK Annotated Anodyne CC[C@H]1CCCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095539946 KK Annotated Anodyne CCCC(=O)NC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095539964 KK Annotated Anodyne c1cc2cc(c1)C[n+]1ccn(c1)Cc1cc3ccccc3nc1Oc1ccc3ccccc3c1-c1c(ccc3ccccc13)Oc1nc3ccccc3cc1Cn1cc[n+](c1)C2 ZINC000095539986 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)Nc1nc(cs1)CCC/C=C/c1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095540001 KK Annotated Mild O/C(=N\c1ccc(I)cc1)c1cc[n+](CCCCCCCCCC[n+]2ccc(/C(O)=N/c3ccc(I)cc3)cc2)cc1 ZINC000095540002 KK Annotated Mild CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@H]1NC(=O)[C@H](CC)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC ZINC000095540004 KK Annotated Mild CCCCCCCCCCCC(=O)N[C@@H](C(=O)O)[C@@H]1NC(=O)[C@H](CC)NC(=O)[C@H](NC(=O)[C@H](N)CC(C)C)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC ZINC000095540005 KK Annotated Mild CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1cc([N+](=O)[O-])cc(c1O)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O ZINC000095540007 KK Annotated Clean CNCC(=O)OCc1cc(F)ccc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095540011 KK Annotated Mild CNCC(=O)OCc1cc(F)ccc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000095540012 KK Annotated Mild CCCCC/C=C\C/C=C\CCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095540016 KK Annotated Reactive COc1ccc2[nH]c3c(CN)cc4cc[n+](CCN5CCC(C6CCN(CC[n+]7ccc8cc(CN)c9[nH]c%10ccc(OC)cc%10c9c8c7)CC6)CC5)cc4c3c2c1 ZINC000095540017 KK Annotated Bother C[N+](C)(C)Cc1cc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccc(O)c(C[N+](C)(C)C)c3)c3ccc([nH]3)c(-c3ccccc3)c3ccc2n3)ccc1O ZINC000095540019 KK Annotated Clean CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)C5CCC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095540021 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1cc(OC)c(cc1OC)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O ZINC000095540035 KK Annotated Anodyne CNCCN(CCCC[C@H](N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O)C(=O)O)C(=O)CCCCCc1c(-c2cccnc2)n(C)c2ccc(Cl)cc12 ZINC000095540046 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095540049 KK Annotated Reactive COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCOC(=O)CCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000095540050 KK Annotated Bother C[N+](C)(C)c1ccc(-c2c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc([nH]3)c([N+](C)(C)C)c3ccc(n3)c(-c3ccc([N+](C)(C)C)cc3)c3ccc2[nH]3)cc1 ZINC000095540054 KK Annotated Bother COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000095540055 KK Annotated Bother Cc1oc2c3c(ccc2c(=O)c1I)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000095540086 KK Annotated Anodyne CCCCCCCCCCCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095540098 KK Annotated Reactive C[C@H](Br)c1cc(=O)c2c(CBr)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000095540099 KK Annotated Reactive C[C@@H](Br)c1cc(=O)c2c(CBr)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000095540100 KK Annotated Reactive COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(OC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl ZINC000095540110 KK Annotated Reactive CC1=C[C@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000095540114 KK Annotated Anodyne CC1=C[C@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000095540115 KK Annotated Anodyne CC1=C[C@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000095540116 KK Annotated Anodyne CC1=C[C@H](OC(=O)CCC(=O)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=C/C1=C(C)C[C@H](OC(=O)CCC(=O)O)CC1(C)C ZINC000095540117 KK Annotated Anodyne NCCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 ZINC000095540123 KK Annotated Reactive NCCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 ZINC000095540124 KK Annotated Reactive O=S(=O)(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(F)cc3)c3ccc(s3)c(-c3ccc(F)cc3)c3ccc(n3)c(-c3ccc(F)cc3)c3ccc2s3)cc1 ZINC000095540126 KK Annotated Bother CCCCCCCC/C=C\CCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095540136 KK Annotated Reactive C[n+]1cccc(-c2c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc([nH]3)c(-c3ccc[n+](C)c3)c3ccc(n3)c(-c3cc4ccccc4[n+](C)c3)c3ccc2[nH]3)c1 ZINC000095540154 KK Annotated Bother CCn1c2ccc3cc2c2cc(ccc21)C(=O)c1ccc(cc1)Cn1c[n+](c2ccccc21)Cc1cccc(n1)C[n+]1cn(c2ccccc21)Cc1ccc(cc1)C3=O ZINC000095540161 KK Annotated Anodyne O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)N=c4[nH]c5ccccc5[nH]4)c3)[C@H](C3CCCCC3)[C@H](O)[C@@H](O)[C@H]2C2CCCCC2)c1 ZINC000095540163 KK Annotated Anodyne Cc1oc2c3c(c(Br)c(C)c2c(=O)c1Br)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C ZINC000095540198 KK Annotated Anodyne O=C(NN1C(=O)[C@@H](CN2CCCCC2)S[C@H]1c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095540201 KK Annotated Anodyne O=C(NN1C(=O)[C@@H](CN2CCCCC2)S[C@@H]1c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095540202 KK Annotated Anodyne O=C(NN1C(=O)[C@H](CN2CCCCC2)S[C@H]1c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095540203 KK Annotated Anodyne O=C(NN1C(=O)[C@H](CN2CCCCC2)S[C@@H]1c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095540204 KK Annotated Anodyne CCN(CC)C[C@H]1S[C@@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095540205 KK Annotated Anodyne CCN(CC)C[C@@H]1S[C@@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095540206 KK Annotated Anodyne CCN(CC)C[C@H]1S[C@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095540207 KK Annotated Anodyne CCN(CC)C[C@@H]1S[C@H](c2ccccc2)N(NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)C1=O ZINC000095540208 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](Cc2ccc3ccccc3c2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095540219 KK Annotated Anodyne N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC2CCCCC2)CN1[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095540230 KK Annotated Anodyne N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC2CCCCC2)CN1[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095540231 KK Annotated Anodyne CC(C)CCOc1c2cccc1Cc1cc(CCCOS(=O)(=O)O)cc(c1O)Cc1cccc(c1OCCC(C)C)Cc1cc(CCCOS(=O)(=O)O)cc(c1O)C2 ZINC000095540234 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000095540271 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@H]2CC2CCCCC2)cc1 ZINC000095540272 KK Annotated Anodyne CC1(C)CCc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5CCC(C)(C)O6)C4=O)C(=O)c4c(ccc5c4CCC(C)(C)O5)C2=O)C3=O)O1 ZINC000095540284 KK Annotated Mild CC(Br)(Br)c1cc(=O)c2ccc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 ZINC000095540292 KK Annotated Anodyne COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c4c2cc(O)c2[nH]c(C(=O)OC)cc42)cc1)C[C@H]3CCl ZINC000095540297 KK Annotated Reactive COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(C)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000095540298 KK Annotated Anodyne CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095540309 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095540310 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095540311 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095540312 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccnc3ccccc23)C1=O)C(C)(C)C)C(C)(C)C ZINC000095540314 KK Annotated Anodyne CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)c1 ZINC000095540340 KK Annotated Anodyne Cc1cc(C)c(C(C)(C)CC(=O)n2cc(C[C@@](C)(NC(=O)OCc3cc4ccccc4o3)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)c(OP(=O)(O)O)c1 ZINC000095540342 KK Annotated Anodyne CN(CCOC(=O)CCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095540370 KK Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)O)Cc2cccc3ccccc23)C(C)C)C(=O)N[C@@H]1c1ccc(Br)cc1 ZINC000095540371 KK Annotated Anodyne CCOC(=O)C1=C(C)N(CCCC(=O)N[C@H](CC(=O)N[C@H](CC(=O)NCCC(=O)O)Cc2cccc3ccccc23)C(C)C)C(=O)N[C@H]1c1ccc(Br)cc1 ZINC000095540372 KK Annotated Anodyne C=C(c1ccccc1)c1cccc(/C=C/C(=O)O[C@H]2C[C@H]3OC[C@@]3(OC(C)=O)[C@H]3[C@H](OCc4ccccc4)[C@]4(O)C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]23C)C4(C)C)c1 ZINC000095540374 KK Annotated Anodyne C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000095540388 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c4ccccc24)[C@H]([C@@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095540401 KK Annotated Reactive CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@H]2c2ccccc2)OC1=O ZINC000095540412 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@H]2c2ccccc2)OC1=O ZINC000095540413 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000095540414 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H]2O[C@@H]2c2ccccc2)OC1=O ZINC000095540415 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC5=NCCCN5C[C@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000095540417 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC5=NCCCN5C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)NC(=N2)N34)O1 ZINC000095540418 KK Annotated Anodyne CCCCCC(=O)N(CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(N)=O)CC(C)C)Cc1ccc(CP(=O)(O)O)cc1 ZINC000095540421 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Br)cc1)SS/C(=N/c1ccc(Br)cc1)OCCN1C(=O)c2ccccc2C1=O ZINC000095540453 KK Annotated Reactive CCCCCCCOCc1c2nc(c3c(=O)n(CCCCCC)c(=O)c4c(C)c(cc5[nH]c(cc6[nH]c1c(C)c6CC)c(C)c5CC)nc34)[C@@H](CCC(=O)OC)[C@@H]2C ZINC000095540458 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000095540464 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)C(C)=C[C@H]1C)OC(C)=O ZINC000095540501 KK Annotated Anodyne C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CNC(=O)OC(C)(C)C)[C@H](OC(=O)CNC(=O)OC(C)(C)C)C(C)(C)[C@@H]1CC3)C(C)C ZINC000095540517 KK Annotated Mild CCN1CCCc2cc3c(cc21)OC1=CC2=[N+](CCCC(=O)N(CCOc4ccc(NS(C)(=O)=O)cc4)CCc4ccc(NS(C)(=O)=O)cc4)CCCC2=C[C@H]1N3 ZINC000095540553 KK Annotated Anodyne CCN1CCCc2cc3c(cc21)OC1=CC2=[N+](CCCC(=O)N(CCOc4ccc(NS(C)(=O)=O)cc4)CCc4ccc(NS(C)(=O)=O)cc4)CCCC2=C[C@@H]1N3 ZINC000095540554 KK Annotated Anodyne COC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000095540566 KK Annotated Anodyne COC(=O)C[C@](C)(O)CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CCC=C(C)C)C(=O)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)CC3 ZINC000095540567 KK Annotated Anodyne CN(CCOC(=O)CCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095540577 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccnc3ccccc23)C1=O)C(C)(C)C)C(C)(C)C ZINC000095540584 KK Annotated Anodyne Oc1ccc(/N=N/c2ccccc2Br)cc1/C=N/c1ccc(I)cc1 ZINC000095540597 KK Annotated Mild O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(-c3ccccc3)oc2=S)cc1 ZINC000095540600 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](c2ccccc2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(-c3ccccc3)oc2=S)cc1 ZINC000095540601 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(N[C@H](c2ccccc2)n2nc(-c3ccccc3)oc2=S)cc1 ZINC000095540602 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)O ZINC000095540609 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)O ZINC000095540610 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)O ZINC000095540611 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)O ZINC000095540612 KK Annotated Mild COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095540623 KK Annotated Clean CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3ccc(N)c4c3C(=O)c3ccccc3C4=O)c2)CC1 ZINC000095540669 KK Annotated Clean C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000095540682 KK Annotated Anodyne O=C1c2cccc3cccc(c23)C(=O)N1CCCCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095540691 KK Annotated Bother N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](CC2CCCCC2)CN1[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095540700 KK Annotated Anodyne N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](CC2CCCCC2)CN1[C@H](Cc1ccc2ccccc2c1)CN1CCC[C@@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095540701 KK Annotated Anodyne COc1c(Br)cc(COP(=O)(Cc2cccc3ccccc23)OCc2cc(Br)c(OC)c(Br)c2)cc1Br ZINC000095540731 KK Annotated Anodyne CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4N)c3)c2)CC1 ZINC000095540744 KK Annotated Anodyne CN(CCOC(=O)CCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095540759 KK Annotated Anodyne COc1cc2oc3ccccc3c2cc1N(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000095540761 KK Annotated Anodyne N/C(=N\O)c1ccc(/C=C/c2ccc(Nc3ccc(C4=C(S(=O)(=O)c5ccc(/C(N)=N/O)cc5)CC(c5ccccc5)(c5ccccc5)O4)cc3)cc2)cc1 ZINC000095540763 KK Annotated Mild COC(=O)/C=C/C[C@H]1O[C@@H](/C(C)=C/c2coc(C[C@]3(O)C[C@H](OC)C[C@H]([C@H](O)/C=C(C)/C=C/[C@@H](C/C=C/Br)OC)O3)n2)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000095540783 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(Cl)ccc1Cl)SS/C(=N/c1cc(Cl)ccc1Cl)OCCN1C(=O)c2ccccc2C1=O ZINC000095540803 KK Annotated Reactive Brc1ccc2c(c1)c(C(c1ccccc1)c1cn(Cc3cn(Cc4ccccc4)nn3)c3ccc(Br)cc13)cn2Cc1cn(Cc2ccccc2)nn1 ZINC000095540804 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(C)C[C@H](OC(=O)c3ccc(O)cc3)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)c(OC)c4)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000095541353 KK Annotated Mild Cc1c(C(c2ccc(Cl)cc2)c2c(C)n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc23)c2ccccc2n1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000095541356 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(C)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000095541360 KK Annotated Anodyne C[C@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095541368 KK Annotated Reactive C[C@H]1CCCC[C@@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095541369 KK Annotated Reactive C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095541370 KK Annotated Reactive C[C@H]1CCCC[C@@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095541371 KK Annotated Reactive CCCCCCCCSCc1c(O)c(CSCCCCCCCC)c2c(c1O)[C@H](SCCO)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2 ZINC000095541383 KK Annotated Mild COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@@H]4C)cc(-c3ccc4c(-c5c(O)cc(O)c6c5C[C@@H](C)N[C@@H]6C)c(C)cc(OC)c4c3O)c(O)c12 ZINC000095541405 KK Annotated Clean in-vivo O=C(OC[C@H]1O[C@@H](O)[C@H](O)[C@H]1OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000095541417 KK Annotated Anodyne O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C(=O)O)c(O)c2)[nH]c2ccccc12)NCc1ccc(C(=O)O)c(O)c1 ZINC000095541421 KK Annotated Reactive CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000095541423 KK Annotated Mild CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3CCCN(C)CCCCCCCCCCN(C)CCCN1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095541465 KK Annotated Anodyne O=C(O)c1cc(NS(=O)(=O)c2ccc3ccc(N4CCN(c5ccc6ccc(S(=O)(=O)Nc7ccc(Cl)c(C(=O)O)c7)cc6c5)C4=O)cc3c2)ccc1Cl ZINC000095541488 KK Annotated Anodyne CC(C)(C)c1ccc(-c2nnc([C@H](OC/C=C/Br)[C@H](O)[C@@H](O)[C@@H](OC/C=C/Br)c3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 ZINC000095541491 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095541500 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)c2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095541501 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095541502 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)c2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095541503 KK Annotated Anodyne CCCOC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095541509 KK Annotated Anodyne CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3OC(C)(C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccn4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000095541510 KK Annotated Anodyne CC(=O)O[C@@H]1O[C@H](COc2c(C(C)(C)C)ccc(SC(C)(C)Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2C(C)(C)C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095541519 KK Annotated Anodyne CCCCCCCCCCCNC(=O)N[C@@H](C(=O)O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC ZINC000095541529 KK Annotated Mild CCCCCCCCCCCNC(=O)N[C@@H](C(=O)O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccc(c([N+](=O)[O-])c2)Oc2cc1cc(O)c2OC ZINC000095541530 KK Annotated Mild CC(=O)O/C(C)=C1\C[C@@H](OC(C)=O)CCCN2C1=C(C(C)=O)[C@@]13CN4CCCC/C=C\CCC(=C[C@@H](c5nccc6c5[nH]c5c(OC(C)=O)cccc56)[C@H]1CC4)[C@@H]23 ZINC000095541534 KK Annotated Mild O=C(Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(O)c(C(=O)O)c3)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)Nc3ccc(O)c(C(=O)O)c3)cc2c1 ZINC000095541538 KK Annotated Clean CCCCCNC(=O)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](OC(C)=O)[C@@H]2[C@@H]([C@]4(C)CC[C@H](C(C)(C)OC(=O)C(=O)NCCCCC)O4)CC[C@]23C)C1(C)C ZINC000095541559 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(C)=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095541584 KK Annotated Anodyne CCCOc1ccc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)cc1-c1nc2c(c(NCc3ccc(F)cc3)nc3nn(Cc4ccc(OC)cc4)cc32)c(=O)[nH]1 ZINC000095541587 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@]2(Oc3ccccc3C=O)=N[P@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095541595 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@]2(Oc3ccccc3C=O)=N[P@@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095541596 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@@]2(Oc3ccccc3C=O)=N[P@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095541597 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](C2CCCCC2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095541606 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](C2CCCCC2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095541607 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](C2CCCCC2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095541608 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](C2CCCCC2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095541609 KK Annotated Anodyne C[C@H](c1ccccc1)n1cc([C@H](Cc2ccccc2)n2cc([C@H](Cc3ccccc3)n3cc([C@H](Cc4ccccc4)n4cc([C@@H](N)Cc5ccccc5)nn4)nn3)nn2)nn1 ZINC000095541658 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(F)cc1F)SS/C(=N/c1ccc(F)cc1F)OCCN1C(=O)c2ccccc2C1=O ZINC000095541678 KK Annotated Reactive COc1ccc2nc3c(c(C)nn3[C@@H]3O[C@H](COC(=O)Cc4ccccc4)[C@@H](OC(=O)Cc4ccccc4)[C@H]3OC(=O)Cc3ccccc3)c(Cl)c2c1 ZINC000095541683 KK Annotated Anodyne C/C=C/C(=O)O[C@@H]1CO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@H]6[C@H](C)C[C@H]7O[C@@]6(C[C@@H]7C(C)(C)OC(C)=O)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](O)[C@H]1O ZINC000095541691 KK Annotated Anodyne O=P(NCCCl)(NCCCl)Oc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000095541692 KK Annotated Reactive O=C(O)c1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095541838 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095541839 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095541840 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](CC2CCCCC2)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095541841 KK Annotated Anodyne Cc1ccc(Cl)cc1N1CCN(Cc2cn([C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OCC3CC3)nn2)CC1 ZINC000095541846 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNCCN(CCCN)CCCCN(CCCN)CCCN ZINC000095541892 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CC(=O)CNC(=O)CN(CCCN)CCCNCCCN ZINC000095541899 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCCCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095541918 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCCCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095541919 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCCCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095541920 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCCCCCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095541921 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095541929 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095541930 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095541931 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095541932 KK Annotated Mild CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CNC(=O)CN(CCCN)CCCNCCCN ZINC000095541952 KK Annotated Mild CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2nc(-c3ccc(-c4cc(C(=O)O)on4)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000095541990 KK Annotated Mild Cc1cccc(N2CCN(C(=O)[C@H](Cc3ccc(OS(=O)(=O)c4cccc5cnccc45)cc3)N(C)S(=O)(=O)c3cccc4cnccc34)CC2)c1C ZINC000095541994 KK Annotated Anodyne COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1ccc(COC(=O)Nc2cc3c(c4ccccc24)[C@H](CCl)CN3C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 ZINC000095542044 KK Annotated Reactive COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1ccc(COC(=O)Nc2cc3c(c4ccccc24)[C@@H](CCl)CN3C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 ZINC000095542045 KK Annotated Reactive C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NC(C)(C)C ZINC000095542067 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NC(C)(C)C ZINC000095542068 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NC(C)(C)C ZINC000095542069 KK Annotated Mild C=CC/C(=C\C=C\[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c(n4c5c(c6c(cc35)C3=CC(C)(C)OC(C)(C)[C@H]3[C@@H]6O)C(=O)[C@@H]4C(=C)C)[C@@]12C)C(=O)NC(C)(C)C ZINC000095542070 KK Annotated Mild COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C[C@@H]3OC(C)(C)O[C@@H]3[C@H]3COC(C)(C)O3)c2c1 ZINC000095542120 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C[C@@H]3OC(C)(C)O[C@@H]3[C@@H]3COC(C)(C)O3)c2c1 ZINC000095542121 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C[C@@H]3OC(C)(C)O[C@H]3[C@H]3COC(C)(C)O3)c2c1 ZINC000095542122 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C[C@@H]3OC(C)(C)O[C@H]3[C@@H]3COC(C)(C)O3)c2c1 ZINC000095542123 KK Annotated Clean O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)c(C(=O)c2ccccc2)c1 ZINC000095542156 KK Annotated Bother O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)c(C(=O)c2ccccc2)c1 ZINC000095542157 KK Annotated Bother CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095542171 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095542172 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095542173 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095542174 KK Annotated Mild CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(COC(=O)C(C)C)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095542184 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(COC(=O)C(C)C)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095542185 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3/C=CC2=N3)cc1 ZINC000095542193 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3/C=CC2=N3)cc1 ZINC000095542194 KK Annotated Anodyne CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000095542200 KK Annotated Anodyne O=C(O[C@@H]([C@H](O)CO)[C@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000095542222 KK Annotated Anodyne O=C(O[C@H]([C@H](O)CO)[C@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000095542223 KK Annotated Anodyne O=C(O[C@@H]([C@@H](O)CO)[C@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000095542224 KK Annotated Anodyne O=C(O[C@H]([C@@H](O)CO)[C@H](OC(=O)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 ZINC000095542225 KK Annotated Anodyne CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@H]6SC[C@H]7NC(=O)N[C@@H]76)cc45)=C(O)C3=O)c[nH]c12 ZINC000095542232 KK Annotated Mild CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@H]7NC(=O)N[C@@H]76)cc45)=C(O)C3=O)c[nH]c12 ZINC000095542233 KK Annotated Mild CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@H]6SC[C@H]7NC(=O)N[C@H]76)cc45)=C(O)C3=O)c[nH]c12 ZINC000095542234 KK Annotated Mild CC(C)=CCc1cccc2c(C3=C(O)C(=O)C(c4c(C)[nH]c5ccc(NC(=O)CCCCCNC(=O)CCCC[C@@H]6SC[C@H]7NC(=O)N[C@H]76)cc45)=C(O)C3=O)c[nH]c12 ZINC000095542235 KK Annotated Mild CCOc1ccc2nc(Sc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4NS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000095542266 KK Annotated Clean CCCCCCCCCCCCCCCC/N=C(\N)N/N=C/c1c2ccccc2c(/C=N/N/C(N)=N/CCCCCCCCCCCCCCCC)c2ccccc12 ZINC000095542288 KK Annotated Mild CCN(CC)Cc1ccc([C@H]2O[C@@H]2[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000095542294 KK Annotated Anodyne CC[n+]1ccc(NCCCOc2cccc(OCCCNc3cc[n+](CC)c4ccccc34)c2OCCCNc2cc[n+](CC)c3ccccc23)c2ccccc21 ZINC000095542327 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1cccc(C(=O)OC)c1 ZINC000095542331 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1cccc(C(=O)OC)c1 ZINC000095542332 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1cccc(C(=O)OC)c1 ZINC000095542333 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1cccc(C(=O)OC)c1 ZINC000095542334 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095542335 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095542336 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095542337 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1 ZINC000095542338 KK Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000095542352 KK Annotated Reactive CC(C)[C@H]1OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000095542396 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095542413 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095542414 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095542415 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc4c(c3OC)OCO4)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095542416 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(F)cc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095542430 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(F)cc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095542431 KK Annotated Anodyne COc1ccc(C(OCC(=O)C2=Cc3c(O)c4c(c(O)c3[C@@H](O[C@H]3C[C@@H](N)[C@@H](O)[C@@H](C)O3)C2)C(=O)c2c(OC)cccc2C4=O)(c2ccccc2)c2ccccc2)cc1 ZINC000095542482 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000095542511 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)c1cc(CS[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc(C(=O)NCCC(=O)O)c1 ZINC000095542512 KK Annotated Mild CC(C)[C@H](NC(=O)CN(C(=O)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C1CCCCCCC1)C(=O)C(F)(F)F ZINC000095542599 KK Annotated Mild CC(C)[C@@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C1CCCCCCC1 ZINC000095542600 KK Annotated Mild CC(C)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C1CCCCCCC1 ZINC000095542601 KK Annotated Mild CC(C)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C1CCCCCCC1 ZINC000095542602 KK Annotated Mild COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542791 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542792 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542793 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)Cc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542794 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)CCc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542799 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@H]2NC(=O)CCc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542800 KK Annotated Anodyne COc1ccc([C@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)CCc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542801 KK Annotated Anodyne COc1ccc([C@@H]2Sc3ccccc3N(CC(=O)NCc3cccc4ccccc34)C(=O)[C@@H]2NC(=O)CCc2ccc(O[P@@](=O)(O)OCc3ccccc3)cc2)cc1 ZINC000095542802 KK Annotated Anodyne Nc1cc(NC(=O)c2cc3cc(NC(=O)Nc4ccc5oc(C(=O)Nc6cc(N)c7ccccc7c6CCCl)cc5c4)ccc3o2)c(CCCl)c2ccccc12 ZINC000095542858 KK Annotated Reactive Oc1cc(O)cc([C@@H]2c3cc([C@@H]4Oc5cc(/C=C/c6ccc(O)cc6O)cc(O)c5[C@H]4c4cc(O)cc(O)c4)c(O)cc3O[C@H]2c2ccc(O)cc2O)c1 ZINC000095542890 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000095542904 KK Annotated Mild CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)C(Cc1ccc(Cl)c(Cl)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000095542935 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000095542951 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(C(C)C)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000095542953 KK Annotated Anodyne CO[C@H]1C[C@@]2(O[C@H](C/C=C/c3coc(C)n3)[C@H]1C)O[C@H]([C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/CC/C(C)=C\C(N)=O)OC)[C@H](OP(=O)(O)O)C2(C)C ZINC000095542954 KK Annotated Anodyne CCOCC(=O)OC(C)(C)[C@H](OC(=O)COC)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)COC)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)COC ZINC000095542996 KK Annotated Anodyne C=C(C)[C@H](OC(=O)c1ccccc1)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)c3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)c1ccccc1 ZINC000095543037 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\c1c(F)cc(F)cc1F)SS/C(=N/c1c(F)cc(F)cc1F)OCCN1C(=O)c2ccccc2C1=O ZINC000095543040 KK Annotated Reactive CN(C)CCOc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OCCN(C)C)cc3)N(Cc3cccc(-c4ccn[nH]4)c3)C(=O)N2Cc2cccc(-c3cc[nH]n3)c2)cc1 ZINC000095543086 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000095543146 KK Annotated Anodyne COC1=C(C(=O)O)C(C)=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)[C@@H]1C ZINC000095543172 KK Annotated Anodyne COC1=C(C(=O)O)C(C)=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)[C@@H]1C ZINC000095543173 KK Annotated Anodyne COC1=C(C(=O)O)C(C)=C(C)[C@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)[C@H]1C ZINC000095543174 KK Annotated Anodyne COC1=C(C(=O)O)C(C)=C(C)[C@@H](OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Cc4c(C)cc(OC)c(C)c4OC)c(OC)c(C)c3OC)c(C)c2OC)[C@H]1C ZINC000095543175 KK Annotated Anodyne CC[C@H]1CCC[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000095543187 KK Annotated Mild CN(CCOC(=O)CC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095543189 KK Annotated Anodyne COC(=O)c1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 ZINC000095543196 KK Annotated Reactive CCCCC/C=C\[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)O[C@@]8(C)[C@@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2C=C[C@]1(C)O ZINC000095543226 KK Annotated Anodyne O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Br)cc7)cccc56)[C@H]1CC4)[C@H]23 ZINC000095543246 KK Annotated Anodyne in-vivo O=C(O)CCc1c2cc(I)c(=O)c(I)c-2oc2c(I)c(O)c(I)cc12 ZINC000095543253 KK Annotated Bother COc1ccc(C(c2cn(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc23)c2cn(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc23)cc1 ZINC000095543274 KK Annotated Anodyne C=C(C)[C@H](OC(=O)COC(C)=O)[C@H](C[C@@H](C)C1=C2C[C@H](OC(=O)COC(C)=O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)OC(=O)COC(C)=O ZINC000095543310 KK Annotated Mild C/C=C(/C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2[C@H](OC(=O)[C@H](O)/C(C)=C/C)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000095543314 KK Annotated Anodyne CC(=O)c1cc2c(cc1O)OC1=C(c3cc4cc(C(C)=O)c(O)cc4o3)CCC(c3cc4cc(C(C)=O)c(O)cc4o3)(c3cc4cc(C(C)=O)c(O)cc4o3)[C@@H]12 ZINC000095543384 KK Annotated Anodyne CC(=O)c1cc2c(cc1O)OC1=C(c3cc4cc(C(C)=O)c(O)cc4o3)CCC(c3cc4cc(C(C)=O)c(O)cc4o3)(c3cc4cc(C(C)=O)c(O)cc4o3)[C@H]12 ZINC000095543385 KK Annotated Anodyne C/C=C/C=C/C(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)/C=C/C=C/C)[C@@H](OC(=O)/C=C/C=C/C)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095543399 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2cc3c(c4ccccc24)[C@H]([C@@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095543400 KK Annotated Reactive O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@]2(Oc3ccc4ccccc4c3)=N[P@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095543464 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@@]2(Oc3ccc4ccccc4c3)=N[P@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095543465 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@]2(Oc3ccc4ccccc4c3)=N[P@@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095543466 KK Annotated Anodyne O=Cc1ccccc1OP1(Oc2ccccc2C=O)=N[P@@]2(Oc3ccc4ccccc4c3)=N[P@@](Oc3ccccc3C=O)(=N1)OCCOCCOCCOCCO2 ZINC000095543467 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 ZINC000095543474 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 ZINC000095543475 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 ZINC000095543476 KK Annotated Reactive COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 ZINC000095543477 KK Annotated Reactive O=S(=O)(c1ccccc1)N(Cc1ccc(I)cc1)[C@H]1CNC[C@@H]1N(Cc1ccc(I)cc1)S(=O)(=O)c1ccccc1 ZINC000095543484 KK Annotated Anodyne CC(=O)O[C@@]1([C@@H]2C(C)=C(O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(Oc5ccccc5)cc4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000095543487 KK Annotated Mild O=C1c2cccc3cccc(c23)C(=O)N1CCCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095543493 KK Annotated Bother C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@](/C=C/CCCCCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2 ZINC000095543511 KK Annotated Mild C/C=C\[C@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543515 KK Annotated Clean C/C=C\[C@@H]1O[C@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543516 KK Annotated Clean C/C=C\[C@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543517 KK Annotated Clean C/C=C\[C@@H]1O[C@@]1(C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@H]2C[C@](C)(N(C)C)[C@@H](OC(C)=O)[C@@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@@H](O)[C@@H](C)O2)c1C3=O ZINC000095543518 KK Annotated Clean O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)[C@H]1CNC[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000095543548 KK Annotated Anodyne COC(=O)[C@@H](N=[N+]=[N-])[C@@H]1O[C@@H](n2cnc3nc(NC(C)=O)nc(Cl)c32)[C@@H]2OC[C@H](OCc3ccccc3)[C@]2(OCc2ccccc2)[C@@H]1OCc1ccccc1 ZINC000095543575 KK Annotated Clean COCCOCCOCCN/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/NCCOCCOCCOC)c4c3O)c(O)c12 ZINC000095543618 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](OC(=O)CNC(=O)OCC2c4ccccc4-c4ccccc42)[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000095543666 KK Annotated Mild CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CCl)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CCl)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095543667 KK Annotated Reactive CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CCl)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CCl)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095543668 KK Annotated Reactive Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(CC(=O)N/N=c3/scc(-c4ccc(Cl)cc4)n3-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000095543689 KK Annotated Reactive Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(CC(=O)N/N=c3/scc(-c4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C ZINC000095543690 KK Annotated Reactive CC(=O)SCCCCCCCCCCCCCCCC(=O)NCCOCCOC(=O)CC/C=C/CNC(=O)COc1ccc(-c2ccc(=O)n(C)c2)cc1 ZINC000095543730 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc4ccccc4c3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095543731 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000095543765 KK Annotated Bother CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000095543766 KK Annotated Bother CCCCCCCCCCCCCCCCCC(=O)OCCN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)CCCCCCCCCCCCCCCCC ZINC000095543771 KK Annotated Mild CC(=O)Oc1cc(OC(C)=O)c2c(c1)O[C@H](c1cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c1)[C@H](OC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1)C2 ZINC000095543779 KK Annotated Anodyne COc1cc([C@@H](C2=C(C)[C@H]3C(=O)C(=O)c4c(ccc5c4CCCC5(C)C)[C@@H]3O2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc(OC)c1OC ZINC000095543817 KK Annotated Clean COc1cc([C@H](C2=C(C)[C@H]3C(=O)C(=O)c4c(ccc5c4CCCC5(C)C)[C@@H]3O2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc(OC)c1OC ZINC000095543818 KK Annotated Clean COc1cc([C@@H](C2=C(C)[C@@H]3C(=O)C(=O)c4c(ccc5c4CCCC5(C)C)[C@@H]3O2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc(OC)c1OC ZINC000095543819 KK Annotated Clean COc1cc([C@H](C2=C(C)[C@@H]3C(=O)C(=O)c4c(ccc5c4CCCC5(C)C)[C@@H]3O2)c2oc3c(c2C)C(=O)C(=O)c2c-3ccc3c2CCCC3(C)C)cc(OC)c1OC ZINC000095543820 KK Annotated Clean O=C(O)[C@@H]1Cc2cc(I)c(OCc3c(Cl)cccc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000095543825 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)C(C)(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095543831 KK Annotated Anodyne Oc1c(O)c(Br)c(CCc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br ZINC000095543846 KK Annotated Clean CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CNC(=O)CC(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095543872 KK Annotated Anodyne COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCCCCCCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)c(OC)c3C2)cc1OC ZINC000095543897 KK Annotated Bother COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN(C)C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000095543925 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN(C)C)c3ccccc43)[nH]c2c(OC)c1OC ZINC000095543926 KK Annotated Reactive CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)C1=Nc1ccc(S(=O)(=O)c2ccc(N=C3N(C(=O)OC(C)(C)C)CCN3C(=O)OC(C)(C)C)cc2)cc1 ZINC000095543928 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095543942 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095543943 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095543944 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095543945 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095543965 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095543966 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095543967 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095543968 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C(=O)OCC)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095543969 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C(=O)OCC)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095543970 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C(=O)OCC)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095543971 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(C(=O)OCC)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095543972 KK Annotated Mild CCCCOC(=O)C1=C(C)N=C(C)N(C(=O)OCCN(Cc2ccccc2)Cc2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000095544035 KK Annotated Bother CCC[C@H](NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C1CCCCC1)C(C)C)C(=O)O ZINC000095544051 KK Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)c3ccccc3[C@H]1OC(C)=O)C2(C)C ZINC000095544069 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544122 KK Annotated Anodyne O=C(CN1CCc2cc(-c3cccc(-c4ncc[nH]4)c3)ccc2[C@@H]1C1CCN(C2CCCC2)CC1)Nc1cc(Cl)cc(Cl)c1 ZINC000095544123 KK Annotated Anodyne COC1=C(Br)C[C@]2(CC(C(=O)NCCCOc3c(Br)cc(CCN(C)C(N)=O)cc3Br)=NO2)OC=C1Br ZINC000095544130 KK Annotated Anodyne COc1ccc(Cc2ccc(OC)c([C@H]3S[C@@H]4C(=NO[C@@H]4c4ccc(F)cc4)N3c3ccccc3)c2)cc1[C@@H]1S[C@@H]2C(=NO[C@@H]2c2ccc(F)cc2)N1c1ccccc1 ZINC000095544203 KK Annotated Anodyne CC(C)(C)OC(=O)CC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCCCCNC(=O)OC(C)(C)C)nn1 ZINC000095544254 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCC(=O)OC[C@@H]2O[C@H](c3ccccc3)C=C[C@@H]2Oc2ccc(OC)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000095544282 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)C1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000095544558 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)C1[C@H](c1cccc(Br)c1)N[C@H]2c1cccc(Br)c1 ZINC000095544559 KK Annotated Mild C=C1[C@H](O)[C@@H]2O[C@@]3(CC[C@@H]2O[C@@H]1[C@H](O)C[C@H](C)[C@@H]1O[C@@]2(CCCCO2)CC[C@H]1C)CC[C@H](/C=C/[C@@H](C)[C@H]1CC(C)=C[C@]2(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]2O)O1)O3 ZINC000095544560 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000095544564 KK Annotated Mild ON=C1C2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@H](c1ccccc1Br)N[C@H]2c1ccccc1Br ZINC000095544565 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)C1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000095544593 KK Annotated Mild CON=C1C2[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccc(Br)cc3)C1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000095544595 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)C1[C@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000095544600 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@@H](c3cccc(Oc4ccccc4)c3)C1[C@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000095544602 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN3CCOCC3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000095544624 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN3CCOCC3)c3ccccc43)[nH]c2c(OC)c1OC ZINC000095544625 KK Annotated Reactive CCOc1ccc2nc(Sc3ccc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4OS(=O)(=O)c4cc(Cl)cc(Cl)c4O)cc3)sc2c1 ZINC000095544635 KK Annotated Anodyne CON=C1C2[C@@H](c3cccc(Br)c3)N[C@H](c3cccc(Br)c3)C1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000095544713 KK Annotated Mild CON=C1C2[C@@H](c3cccc(Br)c3)N[C@@H](c3cccc(Br)c3)C1[C@H](c1cccc(Br)c1)N[C@@H]2c1cccc(Br)c1 ZINC000095544715 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Br)N[C@H](c3ccccc3Br)C1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000095544717 KK Annotated Mild CON=C1C2[C@@H](c3ccccc3Br)N[C@@H](c3ccccc3Br)C1[C@H](c1ccccc1Br)N[C@@H]2c1ccccc1Br ZINC000095544719 KK Annotated Mild CCc1ccc(CCNC(=O)c2c(O)c(O)cc3c2C(=O)C(C)=C(C2=C(C)C(=O)c4c(cc(O)c(O)c4C(=O)NCCc4ccc(CC)cc4)C2=O)C3=O)cc1 ZINC000095544723 KK Annotated Mild Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CCNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1 ZINC000095544726 KK Annotated Anodyne ON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)C1[C@H](c1cccc(Oc3ccccc3)c1)N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000095544730 KK Annotated Mild ON=C1C2[C@@H](c3cccc(Oc4ccccc4)c3)N[C@H](c3cccc(Oc4ccccc4)c3)C1[C@H](c1cccc(Oc3ccccc3)c1)N[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000095544731 KK Annotated Mild Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccc(S(=O)(=O)c4ccc(/N=N/c5c(O)ccc6cccc(S(=O)(=O)O)c56)cc4)cc3)c(O)c12 ZINC000095544761 KK Annotated Clean COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000095544762 KK Annotated Anodyne COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 ZINC000095544763 KK Annotated Anodyne COCOc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(OC)c1C/C=C(\C)C/C=C/[C@@H](C)COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000095544767 KK Annotated Anodyne COCOc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(OC)c1C/C=C(\C)C/C=C/[C@H](C)COC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000095544768 KK Annotated Anodyne COCOc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(OC)c1C/C=C(\C)C/C=C/[C@@H](C)CNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000095544769 KK Annotated Anodyne COCOc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc(OC)c1C/C=C(\C)C/C=C/[C@H](C)CNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 ZINC000095544770 KK Annotated Anodyne CCOC(=O)[C@]1(c2cc3c(cc2OC)N(C)[C@H]2[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]32[C@@H]54)C[C@@H]2C=C(CC)CN(CCc3c1[nH]c1ccccc31)C2 ZINC000095544812 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C#N)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095544813 KK Annotated Anodyne CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(Cc3ccc(-c4ccccn4)cc3)NC(=O)[C@@H]3CN(c4cccc(C(C)=O)c4)C(=O)O3)OC2=O)c1 ZINC000095544819 KK Annotated Reactive CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN(Cc3ccc(-c4ccccn4)cc3)NC(=O)[C@@H]3CN(c4cccc(C(C)=O)c4)C(=O)O3)OC2=O)c1 ZINC000095544820 KK Annotated Reactive C=CCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544822 KK Annotated Mild CCCCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544834 KK Annotated Mild C=CCN(C(=O)Nc1ccc(OC(C)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544843 KK Annotated Mild Cc1c(S(=O)(=O)Nc2ccc(OCCCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)c(N3CCNCC3)c2)sc2ccc(Cl)cc12 ZINC000095544848 KK Annotated Anodyne C=CCN(C(=O)OCc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544864 KK Annotated Mild C=CCN(C(=O)OCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544865 KK Annotated Mild C=CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544866 KK Annotated Mild C=CCN(C(=O)Nc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544871 KK Annotated Mild C=CCN(C(=O)NCc1ccc(F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544872 KK Annotated Mild C=CCN(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544901 KK Annotated Mild C=CCN(C(=O)Nc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544903 KK Annotated Mild C=CCN(C(=O)NCc1ccc(C#N)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544904 KK Annotated Mild C=CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095544906 KK Annotated Mild C=CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CCC2(c3cccc(F)c3)CCN(C(=O)c3cc(S(=O)(=O)NC(C)(C)C)c(F)cc3Cl)CC2)CC1 ZINC000095545345 KK Annotated Mild O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@@H]([C@@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000095545396 KK Annotated Anodyne O=C(O)c1cc2c(cc1S(=O)(=O)O)[C@H]1[C@@H]([C@H]3[C@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@]3(Cl)C2(Cl)Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl ZINC000095545397 KK Annotated Anodyne COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C(=O)[C@H](COC(C)=O)NC(=O)OC(C)(C)C)c2c1 ZINC000095545452 KK Annotated Clean COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C(=O)[C@@H](COC(C)=O)NC(=O)OC(C)(C)C)c2c1 ZINC000095545453 KK Annotated Clean COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@@H](C)N(C)C)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000095545466 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@@H](C)N(C)C)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000095545467 KK Annotated Anodyne COC[C@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@H](C)N(C)C)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000095545468 KK Annotated Anodyne COC[C@@H](C(=O)O[C@@H]1C/C=C/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)COC(=O)[C@H](C)N(C)C)C/C=C/[C@H](OC)C[C@H](C)C/C=C/[C@@H](OC)CC[C@@H](C)[C@@H](O)[C@@H]1C)N(C)C ZINC000095545469 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)C[C@H](OC(=O)CCC(=O)O)C1=O ZINC000095545535 KK 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=C/C2=C(C)C(=O)[C@H](OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)C[C@@H](OC(=O)CCC(=O)O)C1=O ZINC000095545536 KK 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=C/C2=C(C)C(=O)[C@@H](OC(=O)CCC(=O)O)CC2(C)C)C(C)(C)C[C@H](OC(=O)CCC(=O)O)C1=O ZINC000095545537 KK Annotated Mild CC[C@H](C)Cc1cn([C@@H](CCC/N=C(\N=C(/O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)NCCCCCCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 ZINC000095545579 KK Annotated Mild CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)o1 ZINC000095545580 KK Annotated Anodyne CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)n1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(-c3cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC)nn3)c2)nn1 ZINC000095545651 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)OC(C)(C)C)n1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(-c3cn([C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC)nn3)c2)nn1 ZINC000095545652 KK Annotated Anodyne CN(CCCC[C@H](CNCc1ccc(-c2ccccc2)cc1)N1C[C@H](c2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C(=O)C1=O)Cc1ccc(-c2ccccc2)cc1 ZINC000095545653 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCc4ccc(OC)c(Br)c4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095546058 KK Annotated Anodyne CC1(C)O[C@H](C(O)(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)[C@H](C(O)(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)O1 ZINC000095546083 KK Annotated Anodyne CC1(C)O[C@@H](C(O)(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)[C@H](C(O)(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)O1 ZINC000095546084 KK Annotated Anodyne CC1(C)O[C@H](C(O)(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)[C@@H](C(O)(c2cccc3c2oc2ccccc23)c2cccc3c2oc2ccccc23)O1 ZINC000095546085 KK Annotated Anodyne CCCCCCC[C@]1(C)CCc2c(C)c(OCCC=C(c3cccc4cc(S(=O)(=O)O)ccc34)c3cccc4cc(S(=O)(=O)O)ccc34)c(C)c(C)c2O1 ZINC000095546134 KK Annotated Mild CCCCCCC[C@@]1(C)CCc2c(C)c(OCCC=C(c3cccc4cc(S(=O)(=O)O)ccc34)c3cccc4cc(S(=O)(=O)O)ccc34)c(C)c(C)c2O1 ZINC000095546135 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095546150 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCCNc4ncc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095546233 KK Annotated Anodyne N=C(N)c1ccc([C@@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000095546273 KK Annotated Reactive N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 ZINC000095546274 KK Annotated Reactive CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC/C=C(\C)CCC=C(C)C ZINC000095546318 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)OC)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC/C=C(\C)CCC=C(C)C ZINC000095546319 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(CCCNc4ncc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095546321 KK Annotated Anodyne O=C(Oc1cc(OC(=O)c2ccccc2)c2c(c1)O[C@H](c1ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c1)[C@@H](OC(=O)c1ccccc1)C2)c1ccccc1 ZINC000095546322 KK Annotated Anodyne aggregator in-vitro O=C(Oc1cc(OC(=O)c2ccccc2)c2c(c1)O[C@@H](c1ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c1)[C@@H](OC(=O)c1ccccc1)C2)c1ccccc1 ZINC000095546323 KK Annotated Anodyne aggregator CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(CCCC/N=C(\N=C(/O)OC(C)(C)C)NC(=O)OC(C)(C)C)nn1 ZINC000095546365 KK Annotated Mild CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095546366 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095546367 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@H]4O[C@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095546368 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095546369 KK Annotated Anodyne COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)n1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(-c3cn([C@@H](CC(C)C)C(=O)OC(C)(C)C)nn3)c2)nn1 ZINC000095546380 KK Annotated Anodyne CCCNC(=O)OC[C@@H]1O[C@H](CCO/N=C(\C)CCC(=O)OC[C@@H]2O[C@H](C#Cc3ccccc3)C=C[C@@H]2Oc2ccc(C)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000095546382 KK Annotated Mild CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1nnc([C@H](Cc2ccc(OC(C)(C)C)cc2)NC(=O)OC(C)(C)C)o1 ZINC000095546384 KK Annotated Anodyne CC(C)Cc1cccc(-c2ccccc2C(C)C)c1O[C@@H]1C[C@@H](CNC(=O)c2ccc(/C=C3\SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000095546416 KK Annotated Anodyne CC(C)Cc1cccc(-c2ccccc2C(C)C)c1O[C@@H]1C[C@@H](CNC(=O)c2ccc(/C=C3\SC(=O)NC3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000095546418 KK Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@H]([C@@H](OC(C)=O)[C@@H]3[C@@H]4CN(C(=O)C(F)(F)F)[C@@H]4CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C ZINC000095546439 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(Cl)cc3)=C3/C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@H]2N3)cc1 ZINC000095546459 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)[C@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000095546524 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)[C@@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000095546525 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)[C@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000095546526 KK Annotated Reactive COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)[C@@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC ZINC000095546527 KK Annotated Reactive COc1ccc(C(=O)O[C@H]2CC[C@@H]3C(=C[C@H](OC)[C@@H]4[C@@]3(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c5ccc(OC)cc5)CC[C@@]43C)C2(C)C)cc1 ZINC000095546903 KK Annotated Anodyne ON=C1C2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)C1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 ZINC000095546912 KK Annotated Mild ON=C1C2[C@@H](c3ccc(Br)cc3)N[C@H](c3ccc(Br)cc3)C1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 ZINC000095546913 KK Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)c2cncc(C(=O)NCCC[C@@H](C)Nc3cc(OC)cc4ccc(C(C)(C)C)nc34)c2)c2nc(C(C)(C)C)ccc2c1 ZINC000095546915 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)c2cncc(C(=O)NCCC[C@@H](C)Nc3cc(OC)cc4ccc(C(C)(C)C)nc34)c2)c2nc(C(C)(C)C)ccc2c1 ZINC000095546916 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2cncc(C(=O)NCCC[C@H](C)Nc3cc(OC)cc4ccc(C(C)(C)C)nc34)c2)c2nc(C(C)(C)C)ccc2c1 ZINC000095546917 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H]([C@@H]5C[C@H]([C@H](O)C(C)(C)O)O[C@@H]5OC)CC[C@]4(C)C3=CC[C@H]2C1(C)C ZINC000095546934 KK Annotated Anodyne COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 ZINC000095546937 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 ZINC000095546938 KK Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 ZINC000095546939 KK Annotated Reactive CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)c4ccc([N+](=O)[O-])cc4)CC[C@@]3(C)[C@H]12 ZINC000095546941 KK Annotated Anodyne COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/c2c(C)cc(OC)c(C)c2C)c(C)c1C ZINC000095546942 KK Annotated Anodyne Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1/C=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C/c1c(C)oc2c(C)c3oc(=O)cc(C)c3cc12 ZINC000095546943 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2cccc(C(=O)NCCC[C@@H](C)Nc3cc(OC)cc4ccc(C(C)(C)C)nc34)n2)c2nc(C(C)(C)C)ccc2c1 ZINC000095546949 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)c2cccc(C(=O)NCCC[C@@H](C)Nc3cc(OC)cc4ccc(C(C)(C)C)nc34)n2)c2nc(C(C)(C)C)ccc2c1 ZINC000095546950 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2cccc(C(=O)NCCC[C@H](C)Nc3cc(OC)cc4ccc(C(C)(C)C)nc34)n2)c2nc(C(C)(C)C)ccc2c1 ZINC000095546951 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC(=O)OC)[C@H](C(C)(C)C(=O)OC)CC[C@]43C)[C@@H]12 ZINC000095546952 KK Annotated Mild COc1cc(N[C@@H](C)CCCNC(=O)c2ccncc2C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000095546953 KK Annotated Anodyne COc1cc(N[C@H](C)CCCNC(=O)c2ccncc2C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000095546954 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2ccncc2C(=O)NCCC[C@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000095546955 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCNC(=O)c2cnccc2C(=O)NCCC[C@@H](C)Nc2cc(OC)cc3ccc(C(C)(C)C)nc23)c2nc(C(C)(C)C)ccc2c1 ZINC000095546956 KK Annotated Anodyne CO[C@H]1C=C2[C@@H](CC[C@H](OC(=O)/C=C/c3ccccc3)C2(C)C)[C@]2(C)CC[C@]3(C)[C@@H]([C@H](C)C[C@H](C=C(C)C)OC(=O)/C=C/c4ccccc4)CC[C@@]3(C)[C@H]12 ZINC000095546957 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095546963 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@@H](C)CCCNC(=S)NCCC[C@@H](C)Nc2cc(OC)c(OCCCCC)c3c(CC)ccnc23)c2nccc(CC)c12 ZINC000095546964 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCNC(=S)NCCC[C@@H](C)Nc2cc(OC)c(OCCCCC)c3c(CC)ccnc23)c2nccc(CC)c12 ZINC000095546965 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@@H](C)CCCNC(=S)NCCC[C@H](C)Nc2cc(OC)c(OCCCCC)c3c(CC)ccnc23)c2nccc(CC)c12 ZINC000095546966 KK Annotated Anodyne COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br ZINC000095546968 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br ZINC000095546969 KK Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br ZINC000095546970 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 ZINC000095546973 KK Annotated Reactive COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 ZINC000095546974 KK Annotated Reactive COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 ZINC000095546975 KK Annotated Reactive CCCCCOc1c(OC)cc(N[C@@H](C)CCCNC(=O)NCCC[C@@H](C)Nc2cc(OC)c(OCCCCC)c3c(CC)ccnc23)c2nccc(CC)c12 ZINC000095546985 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@H](C)CCCNC(=O)NCCC[C@@H](C)Nc2cc(OC)c(OCCCCC)c3c(CC)ccnc23)c2nccc(CC)c12 ZINC000095546986 KK Annotated Anodyne CCCCCOc1c(OC)cc(N[C@@H](C)CCCNC(=O)NCCC[C@H](C)Nc2cc(OC)c(OCCCCC)c3c(CC)ccnc23)c2nccc(CC)c12 ZINC000095546987 KK Annotated Anodyne C=C(C)[C@@H]1CC[C@]2(COC(c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](C(=O)OC)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000095547001 KK Annotated Mild COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCNCCCCNCCCNC(=O)/C=C/c2c(C)oc3c(C)c4oc(=O)cc(C)c4cc23)c(C)c1C ZINC000095547010 KK Annotated Anodyne O=C(NCCCCCCCCCNC(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095547012 KK Annotated Mild CN(CCCCCCN(C)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095547013 KK Annotated Mild CN(Cc1cccc(CN(C)C(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)c1)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095547014 KK Annotated Mild CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095547030 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095547036 KK Annotated Anodyne CN(CCN(C)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1)C(=O)N(/C(=N\C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095547038 KK Annotated Mild CN(CCN(C)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)C(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095547040 KK Annotated Mild C[C@H]1C2=C3[C@@H](C[C@H]4C(=O)N(c5ccccc5)C(=O)[C@H]4[C@H]3[C@@]3(Cc4ccccc4)/C(=N\CCc4c[nH]c5ccccc45)OC(=O)N3C2=O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000095547273 KK Annotated Mild O=C(C[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@H]1CC[C@H](Cc1ccc(O)c(O)c1)C(=O)O ZINC000095547284 KK Annotated Mild CC1(C)C(/C=C/C2=C(Oc3ccc(S(=O)(=O)O)cc3)/C(=C/C=C3/N(CCCCS(=O)(=O)O)c4ccccc4C3(C)C)CCC2)=[N+](CCCCCC(=O)O)c2ccccc21 ZINC000095547287 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1ccc(OC)c(OC)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095547310 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095547311 KK Annotated Anodyne O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccc(N3C[C@H](CNC4=NS(=O)(=O)c5ccccc5N4c4ccccc4)OC3=O)cc2F)CC1 ZINC000095547360 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095547381 KK Annotated Anodyne O=c1cc(O)cc([C@H]2c3c(cc(/C=C/c4cc(O)c(O)cc4-c4c(O)cc(/C=C/c5ccc(O)c(O)c5)oc4=O)oc3=O)O[C@@H]2c2ccc(O)c(O)c2)o1 ZINC000095547488 KK Annotated Clean COc1ccc([C@@H]2[C@H](OC(=O)[C@](OC)(c3ccccc3)C(F)(F)F)CO[C@@H]2[C@H](OC(=O)[C@](OC)(c2ccccc2)C(F)(F)F)c2ccc(OC)c(OC)c2)cc1 ZINC000095547494 KK Annotated Anodyne COc1ccc([C@@H]2[C@H](OC(=O)[C@@](OC)(c3ccccc3)C(F)(F)F)CO[C@@H]2[C@H](OC(=O)[C@@](OC)(c2ccccc2)C(F)(F)F)c2ccc(OC)c(OC)c2)cc1 ZINC000095547495 KK Annotated Anodyne COc1cc(OC)c(CNc2cc[n+](CCCCCCCCCC[n+]3ccc(NCc4c(OC)cc(OC)cc4OC)c4ccccc43)c3ccccc23)c(OC)c1 ZINC000095547497 KK Annotated Anodyne O[C@H]([C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@@H](O)[C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000095547524 KK Annotated Mild O[C@H]([C@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@H](O)[C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000095547525 KK Annotated Mild O[C@@H]([C@H](O)[C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1)[C@@H](COCc1ccc(C(F)(F)F)cc1)OCc1ccc(C(F)(F)F)cc1 ZINC000095547526 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095547541 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095547542 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095547543 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)NC ZINC000095547544 KK Annotated Mild COc1cc2c(cc1OCCCN1C(=O)c3cccc4cccc(c34)C1=O)N=C[C@@H]1C/C(=C\C(=O)NCCCN3C(=O)c4cccc5cccc(c45)C3=O)CN1C2=O ZINC000095547546 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl ZINC000095547554 KK Annotated Reactive CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)C(F)(F)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095547556 KK Annotated Anodyne CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)C(F)(F)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 ZINC000095547557 KK Annotated Anodyne CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000095547558 KK Annotated Reactive O=C(N[C@H]1C/C=C\C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000095547599 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCc2ccccc2)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N1CC3 ZINC000095547600 KK Annotated Anodyne CN(C)c1ccc2c(-c3ccc(C(=O)NCc4cccc5c4C(C)(C)[C@]4(C=Nc6c(ccc7ccccc67)O4)N5C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095547615 KK Annotated Bother CN(C)c1ccc2c(-c3ccc(C(=O)NCc4cccc5c4C(C)(C)[C@@]4(C=Nc6c(ccc7ccccc67)O4)N5C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095547616 KK Annotated Bother CN(C)c1ccc2c(-c3ccc(C(=O)NCc4cccc5c4C(C)(C)[C@]4(C=Nc6c(ccc7ccc(O)cc67)O4)N5C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095547739 KK Annotated Bother CN(C)c1ccc2c(-c3ccc(C(=O)NCc4cccc5c4C(C)(C)[C@@]4(C=Nc6c(ccc7ccc(O)cc67)O4)N5C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095547740 KK Annotated Bother CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=C[C@@](C)(CCC=C(C)C)O6)C4=O)C(=O)c4ccccc4C2=O)C3=O)O1 ZINC000095547746 KK Annotated Mild C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](CC)[C@@H]3OC ZINC000095547754 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)Cc1ccc(/N=C2/C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000095547759 KK Annotated Mild Cc1cc(CC2(N/C(O)=N/S(=O)(=O)c3ccccc3Cl)CC2)ccc1N1Cc2c(c(OCC(F)(F)F)c3cccnc3c2OCC(F)(F)F)C1=O ZINC000095547766 KK Annotated Mild CN(C)c1ccc2c(-c3ccc(C(=O)NCCc4ccc5c(c4)C(C)(C)[C@]4(C=Nc6c(ccc7ccccc67)O4)N5C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095547769 KK Annotated Bother CN(C)c1ccc2c(-c3ccc(C(=O)NCCc4ccc5c(c4)C(C)(C)[C@@]4(C=Nc6c(ccc7ccccc67)O4)N5C)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095547770 KK Annotated Bother C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nccc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095547799 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)CCc1ccc(/N=C2/C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)cc1)NC(C)=O ZINC000095547807 KK Annotated Mild COC(=O)[C@H](CCCCNC(=O)Cc1cccc(/N=C2/C(=O)N(Cc3ccc(OC)cc3)c3c(Br)cc(Br)cc32)c1)NC(C)=O ZINC000095547817 KK Annotated Mild CCCCCC(=O)N1CCN([C@H](C(=O)N[C@H](C(C)C)P(=O)(Oc2ccc(SC)cc2)Oc2ccc(SC)cc2)c2ccc(OC)c(OC)c2)CC1 ZINC000095547822 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1 ZINC000095547826 KK Annotated Anodyne COC(=O)[C@@H]1C/C=C/Cc2cc3ccccc3c(c2OC)-c2c(OC)c(cc3ccccc23)C[C@H](NC(C)=O)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1 ZINC000095547827 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCCC(C)(C)C(=O)O)c1 ZINC000095547840 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC2(CC(=O)O)CC2)c1 ZINC000095547852 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCC(C)(C)C(=O)O)c1 ZINC000095547856 KK Annotated Anodyne COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1CCCCCCCn1cc(COC(=O)Nc2ccc3cc4ccc(NC(C)=O)cc4nc3c2)nn1 ZINC000095547879 KK Annotated Clean COc1ccc2c(c1)CN1c3ccc(OC)cc3CN2C1CCCCCCCn1cc(CNCCC(=O)Nc2ccc3cc4ccc(NC(C)=O)cc4nc3c2)nn1 ZINC000095547907 KK Annotated Clean CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@H]2C[C@H]2[C@H]1C(=O)N[C@H](C)CCC(N)=O ZINC000095547936 KK Annotated Anodyne COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(P(=O)(O)O)C[C@H]5/C=C/CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(C)C)n3)nc2c1 ZINC000095547951 KK Annotated Anodyne O=S(=O)(O)c1cccc2ccc(OS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)Oc5ccc6cccc(S(=O)(=O)O)c6c5)cc4)cc3)cc12 ZINC000095547964 KK Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N(CC(=O)OC)C(=O)[C@H]12 ZINC000095547979 KK Annotated Mild O=C(NCc1cccc(CNC(=O)N(/C(=N/C2CCCCC2)N2CCOCC2)C2CCCCC2)c1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095548000 KK Annotated Mild O=C(CCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12)Nc1ccc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c12 ZINC000095548022 KK Annotated Anodyne C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3cc(Br)ccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000095548024 KK Annotated Anodyne in-vitro CO[C@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6c(O)cc7oc(-c8ccccc8)cc(=O)c7c6O)CC[C@@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000095548027 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NC3CCCC3)c(F)cc2Cl)CC1 ZINC000095548039 KK Annotated Anodyne CCOC(=O)C[C@@H](NC(=O)[C@@H](Cc1c(Br)[nH]c2ccccc12)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C/C(C)=C/[C@H](C)C[C@H](C)O)c1ccc(O)cc1 ZINC000095548044 KK Annotated Anodyne in-vitro COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCC2(C(=O)O)CCCC2)c1 ZINC000095548046 KK Annotated Anodyne COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCC[C@](C)(OC)C(=O)O)c1 ZINC000095548047 KK Annotated Anodyne Cc1nc2ccccc2n1C1C[C@@H]2CC[C@H](C1)N2CCC1(c2cccc(F)c2)CCN(C(=O)c2cc(S(=O)(=O)NCC(F)(F)F)c(F)cc2Cl)CC1 ZINC000095548048 KK Annotated Anodyne CCNC(=O)NCCCOc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000095548053 KK Annotated Anodyne CCCCCCCC/C=C/CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@]4(C)CCCC(C)(C)O4)CC[C@]23C)C1(C)C ZINC000095548061 KK Annotated Anodyne CCC(CC)(CCOc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1)C(=O)O ZINC000095548066 KK Annotated Anodyne CCOC(=O)[C@H]1C[C@@H]1COc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1 ZINC000095548075 KK Annotated Anodyne Cc1cn([C@H]2C=C[C@@H](COC(=O)CCCCCCCCCCCNc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)O2)c(=O)[nH]c1=O ZINC000095548083 KK Annotated Bother COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OCCCNS(C)(=O)=O)c1 ZINC000095548084 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H](CC[C@@]3(C)CC4=CC[C@@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6c(O)cc7oc(-c8ccccc8)cc(=O)c7c6O)CC[C@@]5(C)[C@@H]4CC[C@@H]32)C1(C)C ZINC000095548100 KK Annotated Anodyne O=C(N[C@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000095548104 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCC2CCCC2)[C@@H](C(=O)N2CCOCC2)C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N1CC3 ZINC000095548143 KK Annotated Anodyne CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCCCCNC(=O)c2nc[nH]c2C(=O)Nc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1 ZINC000095548222 KK Annotated Anodyne CCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3ccc(OCc4ccccc4)cc32)CC1 ZINC000095548223 KK Annotated Anodyne CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NC/C=C(\C)CCC=C(C)C)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095548227 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)NCCCCCCCCCCCC)CC[C@H]23)C1 ZINC000095548590 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)COC(=O)NCCCCCCCCCCCC)CC[C@H]23)C1 ZINC000095548591 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@H](C)COC(=O)NCCCCCCCCCCCC)CC[C@@H]32)C1 ZINC000095548592 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)COC(=O)NCCCCCCCCCCCC)CC[C@@H]32)C1 ZINC000095548593 KK Annotated Anodyne CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](/C=N/Nc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1OC(C)=O)CCC/C3=C\c1ccc(Cl)cc1)OC(C)=O ZINC000095548599 KK Annotated Mild CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000095548604 KK Annotated Anodyne CC(C)C[C@@H](C(=O)OC(C)(C)C)n1cc(-c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc(-c3cn([C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn3)c2)nn1 ZINC000095548607 KK Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)NCc2ccccc2)[C@@H](OC(=O)NCc2ccccc2)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000095548610 KK Annotated Mild CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6cc(O)c7c(=O)cc(-c8ccccc8)oc7c6O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095548664 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](OC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](O)[C@@H]1O ZINC000095548718 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1 ZINC000095548737 KK Annotated Anodyne CCCC[C@H](NC(=O)/C=C(\C)c1ccc(C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1)C(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N[C@H](C)CCC(N)=O ZINC000095548740 KK Annotated Anodyne C1=C2\Sc3ccccc3N2CCCCC[n+]2c(sc3ccccc32)/C=C/C=C2\Sc3ccccc3N2CCCCC[n+]2c(sc3ccccc32)/C=C/1 ZINC000095548753 KK Annotated Clean C1=C2\Sc3ccccc3N2CCCCCC[n+]2c(sc3ccccc32)/C=C/C=C2\Sc3ccccc3N2CCCCCC[n+]2c(sc3ccccc32)/C=C/1 ZINC000095548754 KK Annotated Clean C1=C2\Sc3ccccc3N2CCCCCCC[n+]2c(sc3ccccc32)/C=C/C=C2\Sc3ccccc3N2CCCCCCC[n+]2c(sc3ccccc32)/C=C/1 ZINC000095548755 KK Annotated Clean C1=C2\Sc3ccccc3N2CCCCCCCC[n+]2c(sc3ccccc32)/C=C/C=C2\Sc3ccccc3N2CCCCCCCC[n+]2c(sc3ccccc32)/C=C/1 ZINC000095548756 KK Annotated Clean O=C(N[C@@H]1C/C=C\C[C@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)COC1=O)OCC1c2ccccc2-c2ccccc21 ZINC000095548760 KK Annotated Anodyne NC(=O)[C@H](Cc1c(Sc2ccccc2[N+](=O)[O-])[nH]c2ccccc12)NC(=O)[C@H](CCCCN=C(N1CCCC1)N1CCCC1)N=C(N1CCCC1)N1CCCC1 ZINC000095548763 KK Annotated Mild CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@@H](C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC[C@]1(C)OC(C)=O)OC(C)=O ZINC000095548772 KK Annotated Anodyne C=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC/C(C)=C/C[C@H](/C=C(\C)[C@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)OC(C)=O)OC(C)=O ZINC000095548779 KK Annotated Mild CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6c(nc5C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C[C@@H]1CC[C@H]2[C@@H]3CC/C(=C\COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]1(C)C6 ZINC000095548794 KK Annotated Anodyne C[C@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548797 KK Annotated Anodyne C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548798 KK Annotated Anodyne C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548799 KK Annotated Anodyne C[C@@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548800 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1OC)C(C)(C)C(=O)N[C@@H](C)Cn1cc(CO[P@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1 ZINC000095548811 KK Annotated Anodyne CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1OC)C(C)(C)C(=O)N[C@@H](C)Cn1cc(CO[P@@](C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1 ZINC000095548812 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CNCCCNCCCCNCCCN ZINC000095548834 KK Annotated Anodyne C=C(C(=O)[C@H](OC(C)=O)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)Nc1ccc(N(C)C)cc1 ZINC000095548842 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548848 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548849 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548850 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548851 KK Annotated Anodyne C[C@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548852 KK Annotated Anodyne C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548853 KK Annotated Anodyne C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548854 KK Annotated Anodyne C[C@@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCSC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095548855 KK Annotated Anodyne COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000095548858 KK Annotated Bother CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548860 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548861 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548862 KK Annotated Anodyne CC[C@H](C)[C@H](N)C(=O)SCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCCOC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1 ZINC000095548863 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3cccc(C(C)C)n3)nc3c(Cl)c(OCCOC)ccc23)[C@H]2CC[C@H](C(C)C)C(=O)N12)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095548871 KK Annotated Mild C=C/C=C\[C@H](C)[C@H](OC(=O)NCCNC(=O)c1ccc(N=[N+]=[N-])cc1)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000095548884 KK Annotated Mild CCCCCC[P@@](=O)(COc1ccc(CCN(C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc23)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc23)cc1)OCCCC ZINC000095548887 KK Annotated Anodyne CCCCCC[P@](=O)(COc1ccc(CCN(C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc23)C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc23)cc1)OCCCC ZINC000095548888 KK Annotated Anodyne CCCCCC[P@@](=O)(COc1ccc(CCN(C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc23)C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc23)cc1)OCCCC ZINC000095548889 KK Annotated Anodyne CCCCCC[P@](=O)(COc1ccc(CCN(C[C@H](O)COc2cccc3[nH]c(C(N)=O)cc23)C[C@@H](O)COc2cccc3[nH]c(C(N)=O)cc23)cc1)OCCCC ZINC000095548890 KK Annotated Anodyne CC1=C[C@@H](OC(=O)C(C)(C)C)C2=CC(=O)O[C@@H](O[C@@H]3O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12 ZINC000095548929 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3cccc(C(=O)O)c3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3cccc(C(=O)O)c3)c3ccc2[nH]3)cc1 ZINC000095548999 KK Annotated Clean CC(=O)O[C@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]34C[C@]35C[C@@H](OC(C)=O)[C@]3(C)[C@@H]6[C@H](C[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)O[C@]2(CC[C@]3(C)O[C@@H]32)C[C@H]6C)[C@@H]1O ZINC000095549005 KK Annotated Anodyne CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC ZINC000095549011 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)CCCOC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 ZINC000095549022 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)CCCOC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 ZINC000095549023 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)N(CCCl)CCCl)C1 ZINC000095549024 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)N(CCCl)CCCl)C1 ZINC000095549025 KK Annotated Anodyne COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N/NC(=N)N/N=C/c1c(-c2cc(OC)c([N+](=O)[O-])cc2OC)nc2sc(Cl)cn12 ZINC000095549041 KK Annotated Mild OCC[n+]1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cc[n+](CCO)cc6)c(C(F)(F)C(F)(F)F)o5)cc4)cc3)oc2C(F)(F)C(F)(F)F)cc1 ZINC000095549044 KK Annotated Mild C=C(C(=O)[C@H](OC(=O)CNC(=O)OC(C)(C)C)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(=O)CNC(=O)OC(C)(C)C ZINC000095549092 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)C(=O)N4CCO[C@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095549103 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)C(=O)N4CCO[C@@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095549104 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)C(=O)N4CCO[C@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095549105 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)C(=O)N4CCO[C@@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095549106 KK Annotated Anodyne CN(C)C(=O)C[n+]1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cc[n+](CC(=O)N(C)C)cc6)c(C(F)(F)F)o5)cc4)cc3)oc2C(F)(F)F)cc1 ZINC000095549128 KK Annotated Mild O=C1CCSC2=C(SCCC(=O)OCC3(CO1)COC(=O)CCSC1=C(SCCC(=O)OC3)C(=O)c3ccccc3C1=O)C(=O)c1ccccc1C2=O ZINC000095549132 KK Annotated Mild CCCC[C@H]1CCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CCCCCCCCCCCCC(=O)N2CCC[C@H]2C(=O)O1 ZINC000095549143 KK Annotated Anodyne O=C(/N=C(\NC1CCCC1)c1ccc(-c2ccc(-c3ccc(/C(=N\C(=O)OCC(Cl)(Cl)Cl)NC4CCCC4)cc3)o2)cc1)OCC(Cl)(Cl)Cl ZINC000095549154 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)NCc4ccccc4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)OC(=O)C(=O)NCc4ccccc4)O3)[C@@H]12 ZINC000095549162 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](OC(=O)CC(=O)Nc4ccccc4)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)OC(=O)C(=O)Nc4ccccc4)O3)[C@@H]12 ZINC000095549181 KK Annotated Anodyne CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(N)=O)CC(C)C)Cc1ccc(CP(=O)(O)O)cc1 ZINC000095549233 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095549294 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095549295 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)/C(=N/OCc5ccccc5)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)[C@@H](OC(C)=O)C(=O)[C@@H](CNOCc1ccccc1)[C@@H](C)CO ZINC000095549337 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)/C(=N/OCc5ccccc5)C=C[C@@]45C[C@@]35CC[C@]2(C)[C@H]1[C@H](C)[C@@H](OC(C)=O)C(=O)[C@H](CNOCc1ccccc1)[C@@H](C)CO ZINC000095549338 KK Annotated Anodyne COc1ccc(/C=C2\N=C(c3ccccc3)N([C@H]3Nc4cc5c(cc4S3)N[C@H](N3C(=O)/C(=C/c4ccc(OC)cc4)N=C3c3ccccc3)S5)C2=O)cc1 ZINC000095549373 KK Annotated Anodyne COc1ccc(/C=C2\N=C(c3ccccc3)N([C@@H]3Nc4cc5c(cc4S3)N[C@H](N3C(=O)/C(=C/c4ccc(OC)cc4)N=C3c3ccccc3)S5)C2=O)cc1 ZINC000095549374 KK Annotated Anodyne COc1ccc(/C=C2\N=C(c3ccccc3)N([C@@H]3Nc4cc5c(cc4S3)N[C@@H](N3C(=O)/C(=C/c4ccc(OC)cc4)N=C3c3ccccc3)S5)C2=O)cc1 ZINC000095549375 KK Annotated Anodyne O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1[C@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])N=C1c1ccccc1)S3 ZINC000095549378 KK Annotated Bother O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])N=C1c1ccccc1)S3 ZINC000095549379 KK Annotated Bother O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@@H](N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])N=C1c1ccccc1)S3 ZINC000095549380 KK Annotated Bother O=C1[C@@H](N(Cc2cn(-c3ccnc4cc(Cl)ccc34)nn2)Cc2cn(-c3ccnc4cc(Cl)ccc34)nn2)[C@@H](/C=C/c2ccccc2)N1C1CCCCC1 ZINC000095549386 KK Annotated Anodyne O=C1/C(=C/C=C/c2ccccc2)N=C(c2ccccc2)N1[C@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/C=C/c2ccccc2)N=C1c1ccccc1)S3 ZINC000095549394 KK Annotated Anodyne O=C1/C(=C/C=C/c2ccccc2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/C=C/c2ccccc2)N=C1c1ccccc1)S3 ZINC000095549395 KK Annotated Anodyne O=C1/C(=C/C=C/c2ccccc2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@@H](N1C(=O)/C(=C/C=C/c2ccccc2)N=C1c1ccccc1)S3 ZINC000095549396 KK Annotated Anodyne C[N+](C)(C)CCCCCc1c2ccc(n2)c(CCCCC[N+](C)(C)C)c2ccc([nH]2)c(CCCCC[N+](C)(C)C)c2ccc(n2)c(CCCCC[N+](C)(C)C)c2ccc1[nH]2 ZINC000095549399 KK Annotated Bother CCN(CC)c1ccc(C([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000095549403 KK Annotated Anodyne CCN(CC)c1ccc(C([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)cc1 ZINC000095549404 KK Annotated Anodyne CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl ZINC000095549405 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl ZINC000095549406 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl ZINC000095549407 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl ZINC000095549408 KK Annotated Reactive CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 ZINC000095549468 KK Annotated Reactive CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 ZINC000095549469 KK Annotated Reactive COc1cc2c(c3oc4ccc(Br)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000095549493 KK Annotated Bother CCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@@]2(OC(C)=O)C[C@@]1(C)OC(=O)c1ccccc1)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O ZINC000095549499 KK Annotated Anodyne O=C1c2c(Cl)cccc2-c2nn(CCN3CCN(CCN4CCN(CCn5nc6c7c(cccc75)C(=O)c5c(Cl)cccc5-6)CC4)CC3)c3cccc1c23 ZINC000095549500 KK Annotated Anodyne COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000095549502 KK Annotated Reactive CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@@H](OC(=O)c5ccccc5)[C@@]2(OC(C)=O)C[C@@]1(C)OC(=O)c1ccccc1)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=C[C@H]4OC(C)=O ZINC000095549506 KK Annotated Anodyne COc1cc(C2=NO[C@H](CO[C@@H]3O[C@H](Cn4c(SCc5ccccc5)nnc4-c4ccc(Cl)cc4)[C@H]4OC5(CCCC5)O[C@@H]34)C2)cc(OC)c1OC ZINC000095549508 KK Annotated Anodyne COc1cc(C2=NO[C@@H](CO[C@@H]3O[C@H](Cn4c(SCc5ccccc5)nnc4-c4ccc(Cl)cc4)[C@H]4OC5(CCCC5)O[C@@H]34)C2)cc(OC)c1OC ZINC000095549509 KK Annotated Anodyne O=C1c2c(Cl)cccc2-c2nn(CCN3CCN(CCCN4CCN(CCn5nc6c7c(cccc75)C(=O)c5c(Cl)cccc5-6)CC4)CC3)c3cccc1c23 ZINC000095549511 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc([N+](=O)[O-])cc1)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccc([N+](=O)[O-])cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000095549517 KK Annotated Bother Cc1noc2c1N=C(c1ccc([N+](=O)[O-])cc1)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5ccc([N+](=O)[O-])cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000095549518 KK Annotated Bother Cc1noc2c1N=C(c1ccc([N+](=O)[O-])cc1)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccc([N+](=O)[O-])cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000095549519 KK Annotated Bother CCN1CCN(C[C@H]2S[C@@H](c3ccc(OC)c(OC)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549524 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(OC)c(OC)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549525 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(OC)c(OC)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549526 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(OC)c(OC)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549527 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)[C@H]2C(c1ccccc1)[C@@H]1c2onc(C)c2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 ZINC000095549530 KK Annotated Anodyne COC1=CC(=O)O[C@]2(/C=C/c3cccc(Oc4ccc(C(C)(C)C)cc4)c3)[C@H]1[C@H](c1cccc(Oc3ccc(C(C)(C)C)cc3)c1)[C@H]2c1cc(OC)cc(=O)o1 ZINC000095549532 KK Annotated Anodyne COc1ccc([C@H]2CC(c3ccccc3)=Nc3c(C)noc3[C@@H]2C(c2ccccc2)[C@@H]2c3onc(C)c3N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000095549538 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(Cl)c(Cl)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549548 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(Cl)c(Cl)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549549 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(Cl)c(Cl)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549550 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(Cl)c(Cl)c3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549551 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccc(Br)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549565 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(Br)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549566 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(Br)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549567 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(Br)cc3)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549568 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@@H](c3ccccc3Br)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549569 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccccc3Br)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549570 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccccc3Br)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549571 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccccc3Br)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095549572 KK Annotated Anodyne C[C@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCOC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095549774 KK Annotated Anodyne C[C@@H](C(=O)OCCCO[P@@](=O)(COCCn1cnc2c(N)ncnc21)OCCOC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095549775 KK Annotated Anodyne C[C@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCOC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095549776 KK Annotated Anodyne C[C@@H](C(=O)OCCCO[P@](=O)(COCCn1cnc2c(N)ncnc21)OCCOC(=O)[C@@H](N)Cc1ccccc1)c1ccc(-c2ccccc2)c(F)c1 ZINC000095549777 KK Annotated Anodyne O=C1c2c(Cl)cccc2-c2nn(CCN3CCN(C/C=C/CN4CCN(CCn5nc6c7c(cccc75)C(=O)c5c(Cl)cccc5-6)CC4)CC3)c3cccc1c23 ZINC000095549782 KK Annotated Anodyne O=C1c2c(Cl)cccc2-c2nn(CCN3CCN(CCCCCCN4CCN(CCn5nc6c7c(cccc75)C(=O)c5c(Cl)cccc5-6)CC4)CC3)c3cccc1c23 ZINC000095549783 KK Annotated Anodyne CN(CCN1CCN(CCN(C)CCn2nc3c4c(cccc42)C(=O)c2c(Cl)cccc2-3)CC1)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095549784 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Br)cc1)C[C@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccc(Br)cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000095549786 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Br)cc1)C[C@H](c1cc(Cc3ccc(O)c([C@H]4CC(c5ccc(Br)cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000095549787 KK Annotated Anodyne Cc1noc2c1N=C(c1ccc(Br)cc1)C[C@@H](c1cc(Cc3ccc(O)c([C@@H]4CC(c5ccc(Br)cc5)=Nc5c(C)noc5C4)c3)ccc1O)C2 ZINC000095549788 KK Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1[C@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1)S3 ZINC000095549790 KK Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@H](N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1)S3 ZINC000095549791 KK Annotated Anodyne O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1[C@@H]1Nc2cc3c(cc2S1)N[C@@H](N1C(=O)/C(=C/c2ccc(Cl)cc2)N=C1c1ccccc1)S3 ZINC000095549792 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095549801 KK Annotated Anodyne CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc4c(c3)Sc3cc(N5C(=O)/C(=C/c6ccc(N(C)C)cc6)N=C5c5ccccc5)ccc3N4)C2=O)cc1 ZINC000095549818 KK Annotated Clean O=C1/C(=C/c2ccccc2S)N=C(c2ccccc2)N1c1ccc2c(c1)Sc1cc(N3C(=O)/C(=C/c4ccccc4S)N=C3c3ccccc3)ccc1N2 ZINC000095549820 KK Annotated Clean CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 ZINC000095549822 KK Annotated Bother CSc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)c4ccccc4)cc3N3C(=O)/C(=C\c4ccc(SC)cc4)N=C3c3ccccc3)C2=O)cc1 ZINC000095549823 KK Annotated Clean Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CC[N+](C)(CCCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000095549825 KK Annotated Bother CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 ZINC000095549831 KK Annotated Bother COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(OCc2ccc(COC3=CC(=O)C[C@@H](C)[C@]34Oc3c(Cl)c(OC)cc(OC)c3C4=O)cc2)=CC(=O)C[C@H]1C ZINC000095549856 KK Annotated Mild O=C(OC[C@H]1O[C@@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000095549859 KK Annotated Anodyne O=C(OC[C@@H]1O[C@@H](n2nc(Cn3nnc(-c4cccnc4)n3)n(-c3cccc4ccccc34)c2=S)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1 ZINC000095549860 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccc(C(F)(F)F)cc2C(F)(F)F)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000095549869 KK Annotated Anodyne CC[C@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CCCCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095549888 KK Annotated Anodyne Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000095549898 KK Annotated Bother CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000095549899 KK Annotated Mild COC(=O)[C@@H](Cc1ccccc1)/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@H](Cc5ccccc5)C(=O)OC)c4c3O)c(O)c12 ZINC000095549913 KK Annotated Mild COC(=O)[C@H](Cc1ccccc1)/N=C/c1c(O)c(O)c(C(C)C)c2cc(C)c(-c3c(C)cc4c(C(C)C)c(O)c(O)c(/C=N/[C@H](Cc5ccccc5)C(=O)OC)c4c3O)c(O)c12 ZINC000095549914 KK Annotated Mild OCCc1ccsc1-c1sc(-c2cc(CCO)c(-c3sc(-c4cc(CCO)c(-c5sccc5CCO)s4)cc3CCO)s2)cc1CCO ZINC000095549927 KK Annotated Anodyne Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)CCCCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1 ZINC000095550014 KK Annotated Bother CC(C)(C)c1ccc(OCCOCCOc2ccc(C(C)(C)C)cc2S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000095550019 KK Annotated Bother COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000095550020 KK Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000095550021 KK Annotated Mild COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@H](C)N[C@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@H](C)N[C@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095550022 KK Annotated Clean in-vitro COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCCCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000095550029 KK Annotated Mild C[C@H](NC(=O)c1ccc(O[P@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000095550069 KK Annotated Reactive C[C@@H](NC(=O)c1ccc(O[P@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000095550070 KK Annotated Reactive C[C@H](NC(=O)c1ccc(O[P@@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000095550071 KK Annotated Reactive C[C@@H](NC(=O)c1ccc(O[P@@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000095550072 KK Annotated Reactive O=c1c2cc(S(=O)(=O)O)ccc2nc(COc2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Cl)cc1Oc1c(Cl)cccc1Cl ZINC000095550076 KK Annotated Anodyne O=C(/C=C1\N=C(c2ccccc2)N(c2ccc3c(c2)Sc2cc(N4C(=O)/C(=C/C(=O)/C=C/c5ccccc5)N=C4c4ccccc4)ccc2N3)C1=O)/C=C/c1ccccc1 ZINC000095550078 KK Annotated Mild C[C@H]1O[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I ZINC000095550129 KK Annotated Reactive C[C@@H]1O[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I ZINC000095550130 KK Annotated Reactive O=C1C(Nc2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)=C/C(=N\c2ccc(S(=O)(=O)Nc3cnc4ccccc4n3)cc2)c2ccccc21 ZINC000095550146 KK Annotated Mild O=c1c2cc(S(=O)(=O)O)ccc2nc(COc2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1-c1ccc(Oc2ccc(Cl)cc2)cc1Cl ZINC000095550158 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000095550161 KK Annotated Anodyne COc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000095550162 KK Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5cccc(COc6c(OC)ccc7c6[C@@]68CCN(C)[C@@H](C7)[C@H]6C=C(OC)C(=O)C8)c5)c4[C@]2(CCN3C)CC1=O ZINC000095550163 KK Annotated Mild CCOP(=O)(OCC)[C@@](C)(CC)N/C(=N\C1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1)NC(NC(C)=O)(C(F)(F)F)C(F)(F)F ZINC000095550175 KK Annotated Mild CCOP(=O)(OCC)[C@](C)(CC)N/C(=N\C1=NC(C(F)(F)F)(C(F)(F)F)N=C(C(F)(F)F)O1)NC(NC(C)=O)(C(F)(F)F)C(F)(F)F ZINC000095550176 KK Annotated Mild CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(Br)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000095550189 KK Annotated Reactive CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(Br)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000095550190 KK Annotated Reactive CC1(C)CC2=NC(SSC3=C(C#N)[C@@H](c4ccc(Br)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(Br)cc3)C2=C(O)C1 ZINC000095550191 KK Annotated Reactive Oc1nc(=S)c2cc3c(=S)nc(O)n(CCC(c4ccccc4)(c4ccccc4)c4ccccc4)c3nc2n1CCC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550198 KK Annotated Bother O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3ccccc3S)N=C2c2ccccc2)c(N2C(=O)/C(=C/c3ccccc3S)N=C2c2ccccc2)c1 ZINC000095550204 KK Annotated Clean CC(C)(C)c1ccc2c(c1)CNCCNCc1cc(C(C)(C)C)ccc1OCC1(CO2)COc2ccc(C(C)(C)C)cc2CNCCNCc2cc(C(C)(C)C)ccc2OC1 ZINC000095550209 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000095550210 KK Annotated Mild Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]13)CC[C@](C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1)O2 ZINC000095550221 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OC(=O)CCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]13)CC[C@@](C)(COc1ccc(/C=C3\SC(=O)NC3=O)cc1)O2 ZINC000095550222 KK Annotated Anodyne COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCCCCCCCCCCOc5c(OC)ccc6c5[C@@]57CCN(C)[C@@H](C6)[C@H]5C=C(OC)C(=O)C7)c4[C@]2(CCN3C)CC1=O ZINC000095550251 KK Annotated Mild COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(OCc5ccc(COc6c(OC)ccc7c6[C@@]68CCN(C)[C@@H](C7)[C@H]6C=C(OC)C(=O)C8)cc5)c4[C@]2(CCN3C)CC1=O ZINC000095550252 KK Annotated Mild CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000095550253 KK Annotated Mild Clc1ccc(-c2ccc(-c3nnc(COc4ccc(OCc5nnc(-c6ccc(-c7ccc(Cl)cc7Cl)o6)o5)c(Cl)c4)o3)o2)c(Cl)c1 ZINC000095550260 KK Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c(Nc5ccc(S(=O)(=O)N=C(N)N)cc5)c5ccc(Cl)cc5nc34)cc2)n1 ZINC000095550269 KK Annotated Mild O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(O)C(=Cc2ccc(Cl)c(Cl)c2)C(O)=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095550290 KK Annotated Reactive CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccc(-c3ccccc3)cc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000095550291 KK Annotated Anodyne CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccc3c(c2)Cc2ccccc2-3)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O ZINC000095550292 KK Annotated Anodyne COc1cc([C@H](C)c2cc3c(cc2OCCNC(=O)COc2cc4c(cc2[C@@H](C)c2cc(OC)c(OC)c(OC)c2)OCO4)OCO3)cc(OC)c1OC ZINC000095550303 KK Annotated Anodyne COc1cc([C@H](C)c2cc3c(cc2OCC(=O)NCCOc2cc4c(cc2[C@H](C)c2cc(OC)c(OC)c(OC)c2)OCO4)OCO3)cc(OC)c1OC ZINC000095550304 KK Annotated Anodyne COc1cc([C@H](C)c2cc3c(cc2OCCNC(=O)COc2cc4c(cc2[C@H](C)c2cc(OC)c(OC)c(OC)c2)OCO4)OCO3)cc(OC)c1OC ZINC000095550305 KK Annotated Anodyne COc1cc([C@@H](C)c2cc3c(cc2OCCNC(=O)COc2cc4c(cc2[C@H](C)c2cc(OC)c(OC)c(OC)c2)OCO4)OCO3)cc(OC)c1OC ZINC000095550306 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3ccc4c(ccc[n+]4C)c3)c3ccc([nH]3)c(-c3cc[n+](C)cc3)c3ccc(n3)c(-c3ccc4c(ccc[n+]4C)c3)c3ccc2[nH]3)cc1 ZINC000095550307 KK Annotated Clean CC(C)(C)c1cc2c(O)c(c1)C(c1ccccc1)c1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1O)C(c1ccccc1)c1cc(C(C)(C)C)cc(c1O)C2 ZINC000095550322 KK Annotated Anodyne CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 ZINC000095550327 KK Annotated Bother CSc1ccsc1-c1sc(-c2cc(SC)c(-c3sc(-c4cc(SC)c(-c5sccc5SC)s4)cc3SC)s2)cc1SC ZINC000095550341 KK Annotated Anodyne CCO[C@@]1(COP(=O)(OCc2ccccc2)OCc2ccccc2)CO[C@](COP(=O)(OCc2ccccc2)OCc2ccccc2)(OCC)CO1 ZINC000095550342 KK Annotated Anodyne CCO[C@@]1(COP(=O)(OCc2ccccc2)OCc2ccccc2)CO[C@@](COP(=O)(OCc2ccccc2)OCc2ccccc2)(OCC)CO1 ZINC000095550343 KK Annotated Anodyne CCO[C@]1(COP(=O)(OCc2ccccc2)OCc2ccccc2)CO[C@](COP(=O)(OCc2ccccc2)OCc2ccccc2)(OCC)CO1 ZINC000095550344 KK Annotated Anodyne CCCCC(=O)Nc1ccc2c(C)cc(-c3ccc(-c4cc(-c5ccc(C)cc5)cc(-c5ccc(-c6cc(C)c7ccc(NC(=O)CCCC)nc7n6)cc5)n4)cc3)nc2n1 ZINC000095550346 KK Annotated Anodyne CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 ZINC000095550347 KK Annotated Bother O=[N+]([O-])c1ccc2nc(/C(=N/Nc3ccccc3)[C@@H](O)c3ccc([C@H](O)/C(=N\Nc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 ZINC000095550355 KK Annotated Mild O=[N+]([O-])c1ccc2nc(/C(=N/Nc3ccccc3)[C@H](O)c3ccc([C@@H](O)/C(=N\Nc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 ZINC000095550356 KK Annotated Mild O=[N+]([O-])c1ccc2nc(/C(=N/Nc3ccccc3)[C@@H](O)c3ccc([C@@H](O)/C(=N\Nc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 ZINC000095550357 KK Annotated Mild S=c1nc(Nc2ccc(Br)cc2)c2c3c(sc2[nH]1)CN(N1CCc2c(sc4[nH]c(=S)nc(Nc5ccc(Br)cc5)c24)C1)CC3 ZINC000095550358 KK Annotated Anodyne CCOc1cc([C@@H]2SCC(=O)N2c2ccc3c(c2)Oc2c(Cl)c4c(c(Cl)c2=N3)Oc2cc(N3C(=O)CS[C@@H]3c3ccc(O)c(OCC)c3)ccc2N=4)ccc1O ZINC000095550359 KK Annotated Anodyne CCOc1cc([C@@H]2SCC(=O)N2c2ccc3c(c2)Oc2c(Cl)c4c(c(Cl)c2=N3)Oc2cc(N3C(=O)CS[C@H]3c3ccc(O)c(OCC)c3)ccc2N=4)ccc1O ZINC000095550360 KK Annotated Anodyne CCOc1cc([C@H]2SCC(=O)N2c2ccc3c(c2)Oc2c(Cl)c4c(c(Cl)c2=N3)Oc2cc(N3C(=O)CS[C@@H]3c3ccc(O)c(OCC)c3)ccc2N=4)ccc1O ZINC000095550361 KK Annotated Anodyne Cc1cc(N(CCC#N)CCC#N)ccc1/C=N\c1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(N(CCC#N)CCC#N)cc3)N=C2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000095550369 KK Annotated Mild COc1ccc2[nH]c3c(C(=O)NCCCN(C)CCCNC(=O)c4ccc5c6c4nc4ccc(OC)cc4c6[nH]n5CCN(C)C)ccc4c3c(nn4CCN(C)C)c2c1 ZINC000095550374 KK Annotated Bother Cc1ccc(-c2cnc(N[C@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000095550380 KK Annotated Anodyne Cc1ccc(-c2cnc(N[C@@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)s2)cc1 ZINC000095550381 KK Annotated Anodyne COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)N2C(=O)N[C@H]3[C@H]2CS[C@@H]3CCCCC(=O)NCCCCCCOP(OCCC#N)N(C(C)C)C(C)C)cc1 ZINC000095550382 KK Annotated Mild COc1cc2c(c3oc4cc(Br)ccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000095550397 KK Annotated Bother CCN1CCN(C[C@H]2S[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550404 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550405 KK Annotated Anodyne CCN1CCN(C[C@H]2S[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550406 KK Annotated Anodyne CCN1CCN(C[C@@H]2S[C@H](c3ccc(Cl)cc3Cl)N(c3ccc(Nc4nc(Oc5cc(=O)n(C)c6ccccc56)nc(N(C)C)n4)cc3)C2=O)CC1 ZINC000095550407 KK Annotated Anodyne O=C(COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000095550412 KK Annotated Reactive CN(C)c1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C(=O)c4ccccc4)cc3N3C(=O)/C(=C\c4ccc(N(C)C)cc4)N=C3c3ccccc3)C2=O)cc1 ZINC000095550431 KK Annotated Clean CCCCCCCCCCCCCCOC(=O)CCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095550438 KK Annotated Mild COc1c(Br)c2c(c3oc4ccccc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 ZINC000095550439 KK Annotated Bother CC(=O)[C@]1(OC(=O)/C=C/c2ccccc2Cl)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5Cl)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000095550440 KK Annotated Anodyne COc1c(Br)c(Br)c(C(=O)c2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC ZINC000095550447 KK Annotated Anodyne CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 ZINC000095550454 KK Annotated Mild CC(C)(C)OC(=O)N[C@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCN(CCCCN2c3ccccc3Sc3cc(N=[N+]=[N-])ccc32)CC1 ZINC000095550455 KK Annotated Mild CC(=O)O[C@@H]1[C@H](COC(=O)c2ccccc2)O[C@H](Nc2ncc(-c3ccc(Br)cc3)s2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000095550470 KK Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccc(Cl)cc4nc4c(C(=O)Nc5ccc(S(=O)(=O)N=C(N)N)cc5)cccc34)cc2)n1 ZINC000095550475 KK Annotated Mild CC(=O)[C@]1(OC(=O)/C=C/c2ccc3c(c2)OCO3)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc6c(c5)OCO6)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000095550488 KK Annotated Anodyne CC(=O)[C@]1(OC(=O)/C=C/c2cc(F)cc(F)c2)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cc(F)cc(F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000095550489 KK Annotated Anodyne CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C3C(C(=O)Nc4ccccc4C)=CNC=C3C(=O)Nc3ccccc3C)cc2)C(C(=O)Nc2ccccc2C)=C(C)N1 ZINC000095550504 KK Annotated Anodyne Brc1c(C#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)ccc(C#CCC(c2ccccc2)(c2ccccc2)c2ccccc2)c1Br ZINC000095550537 KK Annotated Mild CCCCOc1cc2c(cc1[C@@]1(C(=O)OC)C[C@@H]3C=C(CC)CN(Cc4c1[nH]c1ccccc41)C3)[C@@]13CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(COC(C)=O)[C@@H]1N2C)[C@H]43 ZINC000095550541 KK Annotated Anodyne O=C1CS[C@@H](c2ccccc2O)N1c1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(N2C(=O)CS[C@@H]2c2ccccc2O)ccc1N=3 ZINC000095550566 KK Annotated Clean O=C1CS[C@@H](c2ccccc2O)N1c1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(N2C(=O)CS[C@H]2c2ccccc2O)ccc1N=3 ZINC000095550567 KK Annotated Clean O=C1CS[C@H](c2ccccc2O)N1c1ccc2c(c1)Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1cc(N2C(=O)CS[C@@H]2c2ccccc2O)ccc1N=3 ZINC000095550568 KK Annotated Clean CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095550586 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095550587 KK Annotated Anodyne C[C@@H]1CC[C@@H](c2ccoc2)N2C[C@@]3(CC[C@@H]12)CS[C@]1(CC[C@H]2[C@H](C)CC[C@@H](c4ccoc4)N2[C@@H]1O)C3 ZINC000095550672 KK Annotated Anodyne O=C(c1ccccc1)c1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)N=C2c2ccccc2)c(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)N=C2c2ccccc2)c1 ZINC000095550817 KK Annotated Clean CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl ZINC000095550818 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl ZINC000095550819 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl ZINC000095550820 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl ZINC000095550821 KK Annotated Reactive O=C(c1c(Br)c(O)c(O)c(Br)c1Br)c1c(Br)c(O)c(O)c(Br)c1Br ZINC000095550838 KK Annotated Clean COc1c(Br)c(Br)c(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC ZINC000095550841 KK Annotated Anodyne CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](OC(=S)n2ccnc2)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(=S)n5ccnc5)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000095550847 KK Annotated Anodyne CCOc1cc2c(cc1[C@@]1(C(=O)OC)C[C@@H]3C=C(CC)CN(Cc4c1[nH]c1ccccc41)C3)[C@@]13CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(COC(C)=O)[C@@H]1N2C)[C@H]43 ZINC000095550852 KK Annotated Anodyne CCCOc1cc2c(cc1[C@@]1(C(=O)OC)C[C@@H]3C=C(CC)CN(Cc4c1[nH]c1ccccc41)C3)[C@@]13CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@](O)(COC(C)=O)[C@@H]1N2C)[C@H]43 ZINC000095550853 KK Annotated Anodyne COc1cc(C)c2c(=O)c3c(OC)cc4c(c3oc2c1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O4 ZINC000095550874 KK Annotated Bother CC(C)OP(=O)(OC(C)C)/C(=N\c1ccc(/N=C(\NNc2ccc([N+](=O)[O-])cc2)P(=O)(OC(C)C)OC(C)C)cc1)NNc1ccc([N+](=O)[O-])cc1 ZINC000095550894 KK Annotated Mild CC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CN4CCC(C(C)(C)O)CC4)cc32)CC1 ZINC000095550948 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(COC(C)=O)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095550976 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC(C)C)N(C)[C@H]1[C@@](O)(COC(C)=O)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095550977 KK Annotated Anodyne CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](OC(=O)n2ccnc2)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](OC(=O)n5ccnc5)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C ZINC000095550989 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC(C)=O)N(C)[C@H]1[C@@](O)(COC(C)=O)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095551001 KK Annotated Anodyne Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OC[C@@H]4COC(C)(C)O4)cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095551016 KK Annotated Bother CC[C@H](C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 ZINC000095551025 KK Annotated Anodyne CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@@H](C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 ZINC000095551035 KK Annotated Anodyne CCCCCCCCCCCCCCNC(=O)CCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095551039 KK Annotated Mild CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=N[C@@H](CCC(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2 ZINC000095551041 KK Annotated Anodyne COc1ccc2c(c1)Cc1c(NCCN(C)C)ccc(C(=O)NCCCN(C)CCCNC(=O)c3ccc(NCCN(C)C)c4c3Nc3ccc(OC)cc3C4)c1N2 ZINC000095551048 KK Annotated Anodyne COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC[C@H]3CCSS3)c(OC)c2)ccc1OC(=O)CCCC[C@H]1CCSS1 ZINC000095551049 KK Annotated Reactive COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC[C@@H]3CCSS3)c(OC)c2)ccc1OC(=O)CCCC[C@H]1CCSS1 ZINC000095551050 KK Annotated Reactive COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC[C@@H]3CCSS3)c(OC)c2)ccc1OC(=O)CCCC[C@@H]1CCSS1 ZINC000095551051 KK Annotated Reactive Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)Nc2nnc(Nc3ccccc3)[nH]2)cc1Cl ZINC000095551055 KK Annotated Reactive CC1(C)CC(=O)c2c(nc3ccc4ccccc4c3c2-c2ccc(NC(=O)CCCCC(=O)Nc3ccc(-c4c5c(nc6ccc7ccccc7c46)CC(C)(C)CC5=O)cc3)cc2)C1 ZINC000095551056 KK Annotated Bother O=C1c2ccccc2C(=O)c2nn(N=P(CP(=Nn3nc4c(n3)C(=O)c3ccccc3C4=O)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)nc21 ZINC000095551057 KK Annotated Reactive O=C1C2=C(SCCS2)C(=O)c2c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c(Sc3ccc(Cl)cc3)c21 ZINC000095551062 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H]2[C@@H]3OC(C)(C)O[C@@H]3O[C@@H]2C(c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1 ZINC000095551065 KK Annotated Mild COC(=O)c1cc(C(=O)OC)cc(-c2ccc3c(c2)-c2nc4c(c(-c5ccc(OC)cc5)c2CC3)CCc2ccc(-c3cc(C(=O)OC)cc(C(=O)OC)c3)cc2-4)c1 ZINC000095551068 KK Annotated Anodyne CC1(C)OC[C@@H]([C@H]2O[C@@H](CC(=S)NCCCCCCCCCCCCNC(=S)C[C@H]3O[C@@H]([C@H]4COC(C)(C)O4)[C@H]4OC(C)(C)O[C@@H]34)[C@H]3OC(C)(C)O[C@@H]23)O1 ZINC000095551069 KK Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2O[C@H](CC(=S)NCCCCCCCCCCCCNC(=S)C[C@@H]3O[C@H]([C@@H]4COC(C)(C)O4)[C@@H]4OC(C)(C)O[C@H]34)[C@@H]3OC(C)(C)O[C@H]23)O1 ZINC000095551070 KK Annotated Anodyne CC1(C)OC[C@H]([C@@H]2O[C@H](CC(=S)NCCCCCCCCCCCCNC(=S)C[C@@H]3O[C@H]([C@H]4COC(C)(C)O4)[C@@H]4OC(C)(C)O[C@H]34)[C@@H]3OC(C)(C)O[C@@H]32)O1 ZINC000095551071 KK Annotated Anodyne CC1(C)OC[C@@H]([C@@H]2O[C@H](CC(=S)NCCCCCCCCCCCCNC(=S)C[C@@H]3O[C@H]([C@H]4COC(C)(C)O4)[C@@H]4OC(C)(C)O[C@H]34)[C@@H]3OC(C)(C)O[C@H]23)O1 ZINC000095551072 KK Annotated Anodyne Cn1nc(C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)nn1C ZINC000095551073 KK Annotated Reactive Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)nn1C ZINC000095551074 KK Annotated Reactive Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)nn1C ZINC000095551075 KK Annotated Reactive COC(=O)C1=C(OC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@@H](C(=O)OC)[C@]2(O)[C@@H](C(=O)OC)[C@H]1C[C@@H](c1ccccc1)[C@@H]2C(=O)OC ZINC000095551256 KK Annotated Anodyne COC(=O)C1=C(OC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(Cl)cc2)[C@H](C(=O)OC)[C@]2(O)[C@@H](C(=O)OC)[C@H]1C[C@@H](c1ccccc1)[C@@H]2C(=O)OC ZINC000095551257 KK Annotated Anodyne O=C(COc1ccc(OCC(=O)NNC2=N[C@H](c3cc(F)c(Cl)cc3Cl)CS2)c(Cl)c1)NNC1=N[C@H](c2cc(F)c(Cl)cc2Cl)CS1 ZINC000095551293 KK Annotated Reactive O=C(COc1ccc(OCC(=O)NNC2=N[C@H](c3cc(F)c(Cl)cc3Cl)CS2)c(Cl)c1)NNC1=N[C@@H](c2cc(F)c(Cl)cc2Cl)CS1 ZINC000095551294 KK Annotated Reactive O=C(COc1ccc(OCC(=O)NNC2=N[C@H](c3cc(F)c(Cl)cc3Cl)CS2)cc1Cl)NNC1=N[C@@H](c2cc(F)c(Cl)cc2Cl)CS1 ZINC000095551295 KK Annotated Reactive O=C(COc1ccc(OCC(=O)NNC2=N[C@@H](c3cc(F)c(Cl)cc3Cl)CS2)c(Cl)c1)NNC1=N[C@@H](c2cc(F)c(Cl)cc2Cl)CS1 ZINC000095551296 KK Annotated Reactive CC(C)c1ccc(Cc2ccc(C(C)C)c(NC(=O)C(=O)Cc3cnc4ccccc4n3)c2C(C)C)c(C(C)C)c1NC(=O)C(=O)Cc1cnc2ccccc2n1 ZINC000095551297 KK Annotated Anodyne CC1(C)CC(=O)c2c(nc3c(ccc4ccccc43)c2-c2ccc(NC(=O)CCCCC(=O)Nc3ccc(-c4c5c(nc6c4ccc4ccccc46)CC(C)(C)CC5=O)cc3)cc2)C1 ZINC000095551307 KK Annotated Bother Cc1ccc(S(=O)(=O)n2cc(/C=C/C#N)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3/C=C/C#N)c2)cc1 ZINC000095551322 KK Annotated Reactive CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1C[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1COC(=O)NCCCCCCNC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000095551326 KK Annotated Anodyne Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c4c(Nc5ccc(S(=O)(=O)N=C(N)N)cc5)c5ccccc5nc34)cc2)n1 ZINC000095551337 KK Annotated Mild CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl ZINC000095551345 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl ZINC000095551346 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl ZINC000095551347 KK Annotated Reactive CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl ZINC000095551348 KK Annotated Reactive CC(=O)OC[C@H]1O[C@@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095551351 KK Annotated Anodyne CC(=O)OC[C@@H]1O[C@@H](SC2=N/C(=C\c3cc4c(=O)c5ccccc5sc4s3)C(=O)N2c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095551352 KK Annotated Anodyne Cn1nc(C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)nn1C ZINC000095551363 KK Annotated Reactive Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)nn1C ZINC000095551364 KK Annotated Reactive Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)nn1C ZINC000095551365 KK Annotated Reactive CC1(C)[C@H]2Cc3cc(-c4cc5c(cn4)[C@@H]4C[C@H]([C@@H]5[C@@H]5c6cc(-c7cc8c(cn7)[C@@H]7C[C@H](C8)C7(C)C)ncc6[C@@H]6C[C@H]5C6(C)C)C4(C)C)ncc3[C@@H]1C2 ZINC000095551375 KK Annotated Anodyne O=C(/C=C(\N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 ZINC000095551376 KK Annotated Reactive COC(=O)C1=C(OC(=O)/C(=C/c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)[C@@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000095551377 KK Annotated Anodyne COC(=O)C1=C(OC(=O)/C(=C/c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)[C@H](C(=O)OC)[C@@]2(O)[C@@H](C(=O)OC)[C@H](C)C[C@@H]1[C@@H]2C(=O)OC ZINC000095551378 KK Annotated Anodyne Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2)cc1Cl ZINC000095551462 KK Annotated Reactive Brc1ccc(Oc2cc(Br)cc(Br)c2OCCCCCN2CCN(C/C=C/c3ccccc3)CC2)c(Br)c1 ZINC000095551474 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCCN(CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000095551475 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)C(=O)N(C)OC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 ZINC000095551479 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)C(=O)N(C)OC(=O)N(CCCl)CCCl)CC[C@H]23)C1 ZINC000095551480 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@H](C)C(=O)N(C)OC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 ZINC000095551481 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)C(=O)N(C)OC(=O)N(CCCl)CCCl)CC[C@H]23)C1 ZINC000095551482 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCC/C=C/c1nc3ccccc3cc1O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095551483 KK Annotated Mild CCCN(CCC)c1ncc(Cl)c(-c2ccc(/C(O)=N/S(=O)(=O)c3ccc4cccc(Cl)c4c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1 ZINC000095551504 KK Annotated Mild CCCN(CCC)c1ncc(Cl)c(-c2ccc(/C(O)=N/S(=O)(=O)c3ccc4cccc(Cl)c4c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CN)n1 ZINC000095551514 KK Annotated Mild O=C(c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1 ZINC000095551515 KK Annotated Clean Cc1ccc([P+](Cc2ccc(CCCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551519 KK Annotated Reactive CSS/C(CCOC(=O)[C@@H](N)C(C)C)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(=O)[C@@H](N)C(C)C)SSC ZINC000095551526 KK Annotated Reactive Cc1ccc([P+](Cc2ccc(CCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551529 KK Annotated Reactive OCCCCCCCCCCCCCc1ccc[n+](CCCCCCCCCCCCCc2ccc[n+](CCCCCCCCCCCCCc3cccnc3)c2)c1 ZINC000095551533 KK Annotated Anodyne C=CCNC(=O)[C@H](CC)[C@H]1CC[C@H](C)[C@H]([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@]3(C=C[C@@H](O)[C@]4(CC[C@@](C)([C@H]5CC[C@](O)(CC)[C@H](C)O5)O4)O3)[C@H](C)C[C@@H]2C)O1 ZINC000095551541 KK Annotated Mild O=C(c1ccc(C[P+](c2cccs2)(c2cccs2)c2cccs2)cc1)c1ccc(C[P+](c2cccs2)(c2cccs2)c2cccs2)cc1 ZINC000095551546 KK Annotated Reactive N#Cc1c(Nc2ccc(O)cc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc(Cl)cc1 ZINC000095551554 KK Annotated Mild Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3c4ccccc4nc4c(C(=O)Nc5ccc(S(=O)(=O)N=C(N)N)cc5)ccc(Cl)c34)cc2)n1 ZINC000095551558 KK Annotated Mild C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095551582 KK Annotated Anodyne C[C@H](c1ccccc1)N1CC2=C(OC(N)=C(c3nc(-c4ccc(Cl)cc4)no3)[C@@H]2c2ccc(Cl)cc2Cl)/C(=C/c2ccc(Cl)cc2Cl)C1 ZINC000095551583 KK Annotated Anodyne COc1cccc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]3(C)[C@](OC(=O)/C=C/c5cccc(OC)c5)(C(C)=O)CC[C@]43O)C2)c1 ZINC000095551595 KK Annotated Anodyne Cc1ccc([P+](Cc2ccc(Cc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551602 KK Annotated Reactive COc1c(Br)c(COC(=O)c2ccccc2)c(-c2c(COC(=O)c3ccccc3)c(Br)c(OC)c3c2OCO3)c2c1OCO2 ZINC000095551626 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(CCCCCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)S(C)(=O)=O)c1 ZINC000095551629 KK Annotated Anodyne CCSS/C(CCOP(=O)(O)O)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOP(=O)(O)O)SSCC ZINC000095551635 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)N4CCO[C@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095551636 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)N4CCO[C@@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095551637 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)COC(=O)N4CCO[C@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095551638 KK Annotated Anodyne CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)COC(=O)N4CCO[C@@H](CCCCCCCCCCCC)C4)CC[C@H]23)C1 ZINC000095551639 KK Annotated Anodyne Cc1ccc([P+](CCc2ccc(CCCc3ccc(CC[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551650 KK Annotated Reactive Cc1cccc([P+](Cc2ccc(Cc3ccc(C[P+](c4cccc(C)c4)(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 ZINC000095551651 KK Annotated Reactive Cc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000095551653 KK Annotated Reactive NC1=C(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ccc([C@H]3C(C(=O)c4c[nH]c5ccccc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1 ZINC000095551666 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccccc23)[C@H](c2ccc([C@H]3C(C(=O)c4c[nH]c5ccccc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1 ZINC000095551667 KK Annotated Mild NC1=C(C(=O)c2c[nH]c3ccccc23)[C@@H](c2ccc([C@@H]3C(C(=O)c4c[nH]c5ccccc45)=C(N)Oc4ccc5ccccc5c43)cc2)c2c(ccc3ccccc23)O1 ZINC000095551668 KK Annotated Mild CN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)OCc3ccccc3C#CCNC(=O)c3ccc4c(c3)C3(OC4=O)c4ccc(O)cc4Oc4cc(O)ccc43)cc2)cc1 ZINC000095551671 KK Annotated Mild CC/C=C(\OC(C)=O)C1=C(OC(C)=O)[C@](C)(C/C=C(\C)CCC=C(C)C)C(OC(C)=O)=C(Cc2c(OC(C)=O)c3c(c(C(=O)CCC)c2OC(C)=O)OC(C)(C)C=C3)C1=O ZINC000095551674 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1cc(COc2ccccc2-c2nc3ccccc3s2)nn1 ZINC000095551686 KK Annotated Mild C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)c(Br)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000095551694 KK Annotated Anodyne N#Cc1c(Nc2ccc(Cl)cc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc1-c1ccc(O)cc1 ZINC000095551697 KK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)nc(SCC(=O)Nn2c(COc3ccc(Cl)cc3Cl)nc3ccccc3c2=O)n(Cc2ccccc2)c1=O ZINC000095551701 KK Annotated Mild Cc1cccc([P+](Cc2ccc(Oc3ccc(C[P+](c4cccc(C)c4)(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 ZINC000095551715 KK Annotated Reactive Cc1ccc([P+](CCc2ccc(CCc3ccc(CC[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551723 KK Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3ccnc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095551730 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3nc(-c4ccccc4)cc(c3c1)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095551731 KK Annotated Mild Cc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551742 KK Annotated Reactive CCCCCCCC/C=C\CCCCCCCOC[C@@H](C[N+](C)(C)CCNC(=O)[C@@H](CCCNCCCN)NCCCN)OCCCCCCC/C=C\CCCCCCCC ZINC000095551744 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCOC[C@H](C[N+](C)(C)CCNC(=O)[C@@H](CCCNCCCN)NCCCN)OCCCCCCC/C=C\CCCCCCCC ZINC000095551745 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCOC[C@@H](C[N+](C)(C)CCNC(=O)[C@H](CCCNCCCN)NCCCN)OCCCCCCC/C=C\CCCCCCCC ZINC000095551746 KK Annotated Mild CCCCCCCC/C=C\CCCCCCCOC[C@H](C[N+](C)(C)CCNC(=O)[C@H](CCCNCCCN)NCCCN)OCCCCCCC/C=C\CCCCCCCC ZINC000095551747 KK Annotated Mild C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nc6c(nc5C[C@@]43C)C[C@@H]3CC[C@H]4[C@@H]5CC=C(OS(=O)(=O)C(F)(F)F)[C@@]5(C)CC[C@@H]4[C@@]3(C)C6)[C@@H]1CC=C2OS(=O)(=O)C(F)(F)F ZINC000095551748 KK Annotated Anodyne Cc1ccc([P+](Cc2ccc(S(=O)(=O)c3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 ZINC000095551777 KK Annotated Reactive C[C@]12C[C@H](O)[C@H]3[C@@H](CC[C@H]4Cc5nc6c(nc5C[C@@]43C)C[C@@H]3CC[C@H]4[C@@H]5CC/C(=C\[C@H]7CC(=O)C=CO7)[C@@]5(C)C[C@H](O)[C@@H]4[C@@]3(C)C6)[C@@H]1CC/C2=C\[C@@H]1CC(=O)C=CO1 ZINC000095551778 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3c(c1)c(nc1ccccc13)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095551787 KK Annotated Mild CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2C[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C ZINC000095551790 KK Annotated Anodyne CSS/C(CCOC(=O)[C@@H](N)CCCCN)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(=O)[C@@H](N)CCCCN)SSC ZINC000095551802 KK Annotated Reactive Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000095551822 KK Annotated Anodyne Cc1ccc(-n2c(Cn3nnc(-c4cccnc4)n3)nn([C@@H]3O[C@@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@@H]3OC(=O)c3ccccc3)c2=S)cc1 ZINC000095551823 KK Annotated Anodyne O=C(Cn1c(CCc2cccc(F)c2F)nc(=O)c2ccccc21)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C2CCOCC2)CC1 ZINC000095551836 KK Annotated Anodyne CCc1c(Br)c(C)c(Oc2c(I)c(C)c(C[C@H](N)C(=O)O)c(C)c2I)c(C)c1Br ZINC000095551967 KK Annotated Anodyne CCc1c(Br)c(C)c(Oc2c(I)c(C)c(C[C@@H](N)C(=O)O)c(C)c2I)c(C)c1Br ZINC000095551968 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(I)c(C)c(CC(=O)O)c(C)c2I)c(C)c1I ZINC000095551977 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(I)c(C)c(C(=O)O)c(C)c2I)c(C)c1I ZINC000095551978 KK Annotated Anodyne CCc1c(I)c(C)c(Oc2c(I)c(C)c(CCN)c(C)c2I)c(C)c1I ZINC000095551979 KK Annotated Anodyne CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)Cc1cc(OC)c2c(c1)C(=O)c1cc(OC)cc(OC)c1C2=O ZINC000095551980 KK Annotated Mild Cn1cc(-c2cccc3c2N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)Cc2ccc(C(F)(F)F)nc2N3)cn1 ZINC000095552120 KK Annotated Anodyne CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O2 ZINC000095552168 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C[C@H]1OC(=O)CCCCCCC(=O)O[C@H]1C[C@@]34CC[C@H]5[C@@](C)(C(=O)O)CCC[C@]5(C)[C@H]3CC[C@]1(C)C4)C2 ZINC000095552169 KK Annotated Anodyne O=C(NC1CCCC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095552190 KK Annotated Anodyne O=C(NC1CCCC1)N[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095552191 KK Annotated Anodyne COc1ccc([C@@](Cc2ccccc2)(NC(=O)NC2CCCC2)c2cc(F)cc(C(F)(F)F)c2)cn1 ZINC000095552215 KK Annotated Anodyne COc1cc2c(cc1C)C(=O)C=C1C2=C(C2=Cc3c(cc(O)c4cc(C)c(O)cc34)C(C)(C)C2=O)C(=O)C1(C)C ZINC000095552438 KK Annotated Mild C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C[C@H]1OC(=O)CCCCCCCCC(=O)O[C@H]1C[C@@]34CC[C@H]5[C@@](C)(C(=O)O)CCC[C@]5(C)[C@H]3CC[C@]1(C)C4)C2 ZINC000095552487 KK Annotated Anodyne COc1c(-c2ccc(OCCOCCN(CCOCCOc3ccc(-c4oc5ccccc5c(=O)c4OC)cc3)Cc3ccncc3)cc2)oc2ccccc2c1=O ZINC000095552649 KK Annotated Anodyne CC(C)C#C[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](CC(=O)O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095552688 KK Annotated Mild O=C(N[C@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000095552786 KK Annotated Mild O=C(N[C@@](Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1ccccn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000095552787 KK Annotated Mild CCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@H](O)CC)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O2 ZINC000095552803 KK Annotated Anodyne CCCC[C@H]1[C@@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@H]1CC[C@@H](CC)/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O2 ZINC000095552859 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@H]4CCCN4C)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000095552911 KK Annotated Anodyne COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)C(C1=C2C(=CC(=O)c4cc(C)c(O)cc42)C(C)(C)C1=O)=C3 ZINC000095552939 KK Annotated Mild CC(C)C#C[C@H](c1ccc(C2(C(F)(F)F)N=N2)cc1)N1CC[C@H](CC(=O)O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095552956 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095552957 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccco4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095552964 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(Nc3ccccc3)cc2)cc1 ZINC000095552966 KK Annotated Mild Cc1ccc(S(=O)(=O)/N=C(\O)Cc2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)cc1 ZINC000095553055 KK Annotated Mild C[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(OC(=O)CCCCCCCCC(=O)O[C@@]12CC[C@H]4[C@@](CC[C@H]5[C@@](C)(C(=O)O)CCC[C@]45C)(C[C@H]1C)C2)C3 ZINC000095553150 KK Annotated Anodyne CC(C)OP(=O)(OC(C)C)C(=O)NCCNS(=O)(=O)c1ccc(CNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1 ZINC000095553339 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553367 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553368 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553369 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553370 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553371 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553372 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553373 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](N)CC(=O)N[C@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000095553374 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000095553416 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OCC=C(C)C)cc2)cc1 ZINC000095553421 KK Annotated Mild O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095553423 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095553424 KK Annotated Mild O=C(O)C[C@H]1CCN([C@@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095553426 KK Annotated Mild Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C ZINC000095553581 KK Annotated Mild C[C@@H]1C[C@]23CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@@]1(OC(=O)CCCCCCCCC(=O)O)C3 ZINC000095553640 KK Annotated Anodyne COc1cc2cc(C(=O)N3C[C@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)[nH]c2c(OC)c1OC ZINC000095553678 KK Annotated Mild COc1cc2cc(C(=O)N3C[C@@H](COS(=O)(=O)Cc4ccccc4)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)[nH]c2c(OC)c1OC ZINC000095553679 KK Annotated Mild O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCO)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095553760 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCO)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095553761 KK Annotated Mild O=C(O)C[C@H]1CCN([C@@H](C#CCCCCO)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095553763 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000095553799 KK Annotated Unstable COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095553836 KK Annotated Mild Cc1ccc(S(=O)(=O)N(C)CC(=O)N(Cc2ccc(C3CCN(c4ccc(C#N)cc4)CC3)cc2)c2ccc(C(=O)O)c(O)c2)cc1 ZINC000095553838 KK Annotated Mild COC(=O)CCCCCCNC(=O)c1cc(-c2ccc(NC(=O)c3cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c3)cc2)on1 ZINC000095553864 KK Annotated Mild COc1cc2c(cc1C)C(=O)C=C1C2=C(C2=C3C(=CC(=O)c4cc(C)c(OC)cc43)C(C)(C)C2=O)C(=O)C1(C)C ZINC000095553904 KK Annotated Mild C[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(OC(=O)CC(=O)O[C@@]12CC[C@H]4[C@@](CC[C@H]5[C@@](C)(C(=O)O)CCC[C@]45C)(C[C@H]1C)C2)C3 ZINC000095553934 KK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1)c1ccc(OCc3cccc(F)c3)cc1n2Cc1cccc(F)c1 ZINC000095553942 KK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccccc1F)c1ccc(OCc3cccc(F)c3)cc1n2Cc1cccc(F)c1 ZINC000095554084 KK Annotated Anodyne COc1cc2c(cc1C)C(=O)C=C1C2=C(C2=Cc3c(cc(O)c4cc(C)c(OC)cc34)C(C)(C)C2=O)C(=O)C1(C)C ZINC000095554085 KK Annotated Mild O=C(NC1CCCC1)N[C@@](Cc1ccccc1F)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095554103 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@@H](CC(=O)O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000095554188 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OC/C=C(\C)CCC=C(C)C)cc2)cc1 ZINC000095554217 KK Annotated Mild O=S(=O)(/N=C(\O)Cc1cn(-c2ccccc2)nc1-c1ccc(C#Cc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 ZINC000095554252 KK Annotated Mild CN[C@@](C)(CO[C@H]1[C@H](n2ncnc2-c2ccncc2)C[C@@]23COC[C@]1(C)[C@@H]2CC[C@H]1C3=CC[C@@]2(C)[C@H](C(=O)O)[C@@](C)([C@H](C)C(C)C)CC[C@]12C)C(C)(C)C ZINC000095554288 KK Annotated Anodyne Cc1cc2c(cc1O)C1=C(C3=Cc4c(cc(O)c5cc(C)c(O)cc45)C(C)(C)C3=O)C(=O)C(C)(C)C1=CC2=O ZINC000095554291 KK Annotated Mild O=C(O[C@@H](CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)O)c1ccccc1)c1ccccc1 ZINC000095554485 KK Annotated Anodyne O=C(O[C@@H](CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)O)c1ccccc1)c1ccccc1 ZINC000095554486 KK Annotated Anodyne O=C(O[C@H](CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)O)c1ccccc1)c1ccccc1 ZINC000095554487 KK Annotated Anodyne O=C(O[C@H](CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1C(=O)O)c1ccccc1)c1ccccc1 ZINC000095554488 KK Annotated Anodyne CCCCOc1ccc(C[C@@H]2CN(Cc3cncn3C)c3ccc(C#N)cc3CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000095554510 KK Annotated Mild Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(N3CCOCC3)cc21 ZINC000095554516 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095554527 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095554528 KK Annotated Mild O=C(O)C[C@H]1CCN([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095554530 KK Annotated Mild COC(=O)C[C@@H]1CCN([C@@H](C#CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C3(C(F)(F)F)N=N3)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095554583 KK Annotated Anodyne CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CCCO ZINC000095554628 KK Annotated Anodyne Cc1nc(N[C@H](C)c2ccc(OC(F)(F)F)cc2)nc(N[C@@H]2C[C@H](C(C)(C)O)[C@@H](O)[C@H]2O)c1-c1nc2c(C)nccc2s1 ZINC000095554699 KK Annotated Anodyne COc1ccc2c(=O)c(C(=O)OCCCCCCN(C)C)c(-c3cccc(Oc4ccccc4)c3)[nH]c2c1 ZINC000095554767 KK Annotated Anodyne CC1(C)CN(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)C(=O)O1 ZINC000095554859 KK Annotated Anodyne O=S(=O)(/N=C(\O)Cc1cn(-c2ccccc2)nc1-c1ccc(C#Cc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 ZINC000095554931 KK Annotated Mild CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@@H]4CCCN4)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000095554984 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N2C[C@H](COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2cc(C#N)ccc32)cc1O ZINC000095555053 KK Annotated Mild COc1ccc(/C=C/C(=O)N2C[C@@H](COS(=O)(=O)Cc3ccccc3)c3c2cc([N+](=O)[O-])c2cc(C#N)ccc32)cc1O ZINC000095555054 KK Annotated Mild Cc1csc(C[C@](NC(=O)NC2CCCC2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)n1 ZINC000095555086 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C(F)(F)F)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095555107 KK Annotated Anodyne O=C(O)C[C@@H]1CCN([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095555108 KK Annotated Mild O=C(O)C[C@H]1CCN([C@@H](C#CCCCCOC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095555110 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccnc(OC)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000095555112 KK Annotated Unstable COc1ccc(S(=O)(=O)N2Cc3cc(C#N)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1 ZINC000095555128 KK Annotated Mild COc1cc2[nH]c(-c3cccc(Oc4ccccc4)c3)c(C(=O)OCCN3CCCC3)c(=O)c2cc1F ZINC000095555241 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4cccc(C#N)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095555261 KK Annotated Mild O=c1c(OCCOCCN(CCOCCOc2c(-c3ccccc3)oc3ccccc3c2=O)Cc2ccncc2)c(-c2ccccc2)oc2ccccc12 ZINC000095555287 KK Annotated Anodyne O=C(Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000095555562 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1 ZINC000095555593 KK Annotated Unstable Cc1ccc(S(=O)(=O)n2ccc3c(OC[C@H](O)CN(CCCCCN)C(=O)N4CCC(C5CCN(C(=O)C67CC8CC(CC(C8)C6)C7)CC5)CC4)cccc32)cc1 ZINC000095555603 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2ccc3c(OC[C@@H](O)CN(CCCCCN)C(=O)N4CCC(C5CCN(C(=O)C67CC8CC(CC(C8)C6)C7)CC5)CC4)cccc32)cc1 ZINC000095555604 KK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Br)N1CC[C@@H](c2cccs2)C1 ZINC000095555657 KK Annotated Anodyne O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]c3)cn2c1Br)N1CC[C@H](c2cccs2)C1 ZINC000095555658 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)O)[C@H]4CC[C@]3(C[C@H]1OC(=O)CC(=O)O[C@H]1C[C@@]34CC[C@H]5[C@@](C)(C(=O)O)CCC[C@]5(C)[C@H]3CC[C@]1(C)C4)C2 ZINC000095555678 KK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccc(F)cc1)c1ccc(OCc3ccc(F)cc3)cc1n2Cc1ccc(F)cc1 ZINC000095555715 KK Annotated Anodyne C[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@]1(OC(=O)CCCCCCC(=O)O[C@@]12CC[C@H]4[C@@](CC[C@H]5[C@@](C)(C(=O)O)CCC[C@]45C)(C[C@H]1C)C2)C3 ZINC000095555764 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccnc(OC)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(Nc3ccccc3)cc2)cc1 ZINC000095555801 KK Annotated Anodyne CC1(C)COC(=O)N1C1CCN(C(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)CC1 ZINC000095555841 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccncc4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095555848 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccnc(OC)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095555857 KK Annotated Anodyne Cc1nc(C[C@](NC(=O)NC2CCCC2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)no1 ZINC000095556053 KK Annotated Anodyne O=C(NCCCCc1ccccc1)c1cc(/C=N/Nc2cccc(Br)c2)nc2ccccc12 ZINC000095556129 KK Annotated Mild O=S(=O)(/N=C(\O)Cc1cn(-c2ccccc2)nc1-c1ccc(C#Cc2ccccc2)cc1)c1ccc(Cl)cc1 ZINC000095556159 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C#N)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1 ZINC000095556247 KK Annotated Mild Cc1ccc(C[C@](NC(=O)NC2CCCC2)(c2cc(F)cc(C(F)(F)F)c2)c2ccc(Cl)cn2)cc1 ZINC000095556384 KK Annotated Anodyne O=C(N/N=C\CCc1ccccc1)c1cc(/C=N/Nc2cccc(Br)c2)nc2ccccc12 ZINC000095556392 KK Annotated Reactive CC[C@H]1/C=C/C=C/CC[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H](OC)C[C@@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C/C(=O)O[C@H]2C[C@@]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)O[C@@H](CC1)[C@H]2CC ZINC000095556401 KK Annotated Anodyne O=C(NC1CCCC1)N[C@](Cc1ccccc1)(c1ccc(Cl)nc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000095556433 KK Annotated Anodyne O=C(NC1CCCC1)N[C@@](Cc1ccccc1)(c1ccc(Cl)nc1)c1cc(F)cc(C(F)(F)F)c1 ZINC000095556434 KK Annotated Anodyne Cc1nc(N)sc1CCCNC(=N)NC(=O)CCCCCCCCCCCCCCC(=O)/N=C(\N)NCCCc1sc(N)nc1C ZINC000095556439 KK Annotated Mild O=C(N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000095556442 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccnc(OC)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OC(=O)NCc3ccccc3)cc2)cc1 ZINC000095556510 KK Annotated Anodyne Nc1sc(-c2ccc(Cl)cc2)c(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556551 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(Cl)cc4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095556562 KK Annotated Anodyne Nc1sc(-c2ccccc2)c(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)c1C(=O)c1ccc(Cl)cc1 ZINC000095556654 KK Annotated Clean CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@@H]4CCCN4C)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000095556749 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@@]4(C)CCCN4C)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000095556768 KK Annotated Anodyne O=C(NC1CCCC1)N[C@@](Cc1ccc(F)cc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095556769 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@H]4CCCN4)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000095556800 KK Annotated Anodyne O=C1Nc2ccc(Br)cc2[C@@H]1n1nc(-c2ccc3ccccc3c2)cc1-c1ccc(Cl)cc1 ZINC000095556874 KK Annotated Anodyne CC(C)(C)OC(=O)CCCCCCC(=O)Nc1ccc(OCc2cc(CN=[N+]=[N-])cc(N=[N+]=[N-])c2)cc1 ZINC000095556877 KK Annotated Mild COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccnc(OC)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000095556884 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4cc(F)cc(F)c4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095556904 KK Annotated Anodyne COC(=O)C[C@H]1CCN([C@@H](C#CC(C)C)c2ccc(-n3cnc(C)c3)c(OC)c2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095556960 KK Annotated Mild CC(C)C#C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](CC(=O)O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000095556968 KK Annotated Mild CCOc1ccc2c(c1)sc1nc(-c3ccc(Cl)cc3)c(CN3CCN(c4ccccn4)CC3)n12 ZINC000095556978 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(Nc4ccccc4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(O)cc2)cc1 ZINC000095556986 KK Annotated Anodyne COc1cc([C@H](C#CC(C)C)N2CC[C@H](CC(=O)O)C[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1-n1cnc(C)c1 ZINC000095556988 KK Annotated Anodyne COc1ccc(S(=O)(=O)N2Cc3cc(-c4ccc(C=O)o4)ccc3N(Cc3cncn3C)C[C@H]2Cc2ccc(-c3ccc(Cl)cc3)cc2)cc1 ZINC000095557059 KK Annotated Anodyne Cc1c2c(cc[n+]1Cc1ccc(F)cc1)c1ccc(OCc3cccc(F)c3)cc1n2Cc1cccc(F)c1 ZINC000095557154 KK Annotated Anodyne CCCCCCNC(=O)Oc1ccc(C[C@@H]2CN(Cc3cncn3C)c3ccc(C#N)cc3CN2S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000095557233 KK Annotated Mild COc1cc(COc2ccc(NC(=O)CCCCCCC(=O)OCc3ccc(CN=[N+]=[N-])cc3)cc2)cc(N=[N+]=[N-])c1 ZINC000095557234 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H](CN(Cc2ccccc2)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)O)c2ccccc2)cc1 ZINC000095557318 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](CN(Cc2ccccc2)C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)O)c2ccccc2)cc1 ZINC000095557319 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@@H](CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)O)c2ccccc2)cc1 ZINC000095557320 KK Annotated Mild Cc1ccc(S(=O)(=O)O[C@H](CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2C(=O)O)c2ccccc2)cc1 ZINC000095557321 KK Annotated Mild CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccc(Br)cc34)[C@@H]21 ZINC000095557361 KK Annotated Clean CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccc(Br)cc34)[C@H]21 ZINC000095557362 KK Annotated Clean Cc1c2c(cc[n+]1Cc1ccccc1F)c1ccc(OCc3ccc(F)cc3)cc1n2Cc1ccc(F)cc1 ZINC000095557481 KK Annotated Anodyne CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@H]4[C@@]5(C)COC[C@@]4(C[C@@H](n4ncnc4-c4ccncc4)[C@@H]5OC[C@@]4(C)CCCN4)C3=CC[C@@]2(C)[C@@H]1C(=O)O ZINC000095557543 KK Annotated Anodyne O=c1cc(-c2ccccc2OCCOCCN(CCOCCOc2ccccc2-c2cc(=O)c3ccccc3o2)Cc2ccncc2)oc2ccccc12 ZINC000095557660 KK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)C[C@@H]1O2 ZINC000095557768 KK Annotated Anodyne Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)C[C@@H]1O2 ZINC000095557769 KK Annotated Anodyne Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095557778 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095557787 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N(C)C)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095557824 KK Annotated Anodyne c1cc[n+]2c(c1)CCCCCCCCCCCCC[n+]1cccc(c1)CCCCCCCCCCCCC2 ZINC000095557828 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095557831 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN([C@@H]6CCNC6=O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095557840 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2cccnc2)n1 ZINC000095557875 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(F)ccc4c3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095557881 KK Annotated Mild CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095557903 KK Annotated Anodyne COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2c(Cl)cccc2Cl)ccc1O ZINC000095557927 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2c(Cl)cccc2Cl)ccc1O ZINC000095557928 KK Annotated Mild CCCCC(=O)NC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095557943 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(OC(=O)c2ccc(Br)cc2)c1C(=O)O)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000095557971 KK Annotated Anodyne CCCCCCCCCC(=O)Oc1c(C)ccc(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)c1C(=O)O ZINC000095557995 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(=O)N(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558117 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@@H](C3=O)[C@H](O)[C@@H]3C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C3=O ZINC000095558137 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](O)[C@H]2C3=O ZINC000095558139 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5COC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558172 KK Annotated Anodyne CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558204 KK Annotated Anodyne CC(C)CC(=O)N1CCO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(=O)N7CCC7)C(C)C)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)C1 ZINC000095558210 KK Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](OC(=O)N6CCC6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095558221 KK Annotated Anodyne C[C@]12CC[C@H]([N+](C)(C)Cc3ccccc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]([N+]1(C)CCOCC1)[C@@H]2O ZINC000095558225 KK Annotated Bother CCCCCCCCCCCCCC[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095558276 KK Annotated Mild CC1CCN([C@@H](c2ccc(F)cc2)c2ccc([C@H](C(=O)O)C(C)C)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558292 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@H](C(=O)O)C(C)C)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558293 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cc2)c2ccc([C@@H](C(=O)O)C(C)C)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558294 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](C(=O)O)C(C)C)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558295 KK Annotated Anodyne CC(C)(C)CC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccc(Br)cn12 ZINC000095558306 KK Annotated Bother CC1CCN([C@@H](c2ccc(F)cc2)c2ccc(C3(C(=O)O)CC3)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558344 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc(C3(C(=O)O)CC3)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558345 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)C(C)C)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095558417 KK Annotated Anodyne Cc1ccc2oc(-c3ccc(OCCOCCN(CCOCCOc4ccc(-c5cc(=O)c6cc(C)ccc6o5)cc4)C(=O)OC(C)(C)C)cc3)cc(=O)c2c1 ZINC000095558422 KK Annotated Anodyne COc1ccc([C@H]2[C@@H]3CSCN3[C@@]3(C(=O)Nc4ccc(OC(F)(F)F)cc43)[C@@]23Cc2cc(OC)c(OC)cc2C3=O)cc1OC ZINC000095558426 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095558457 KK Annotated Mild CCCCc1nc(-c2ccc(OC[C@@H]3CCCN(CC)C3)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095558458 KK Annotated Anodyne CCCCc1nc(-c2ccc(OC[C@H]3CCCN(CC)C3)cc2)sc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095558459 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095558516 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(F)F)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558525 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccccc2O)n3Cc2ccc(OC)c(O)c2)n1 ZINC000095558542 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558544 KK Annotated Anodyne CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558588 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@H]5CCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558614 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N(C)C5CN(C)C5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558631 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCN(CC(=O)O)CC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558634 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CC6CN(C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558655 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095558682 KK Annotated Mild C=C(CC[C@@H](C)[C@H]1CC[C@@H]([C@@H]2CC=C3C[C@@H](O[C@@H]4O[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@@H]4O)CC[C@]3(C)C2=O)[C@]1(C)CCO)C(C)C ZINC000095558687 KK Annotated Mild C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095558701 KK Annotated Mild C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095558702 KK Annotated Mild C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095558703 KK Annotated Mild C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095558704 KK Annotated Mild CCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095558715 KK Annotated Mild Cn1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cn(C)c5ccccc45)cc3)cc2)c2ccccc21 ZINC000095558724 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cc2)c2ccc([C@@H](CC3CC3)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558742 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@@H](CC3CC3)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558743 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cc2)c2ccc([C@H](CC3CC3)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558744 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc([C@H](CC3CC3)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095558745 KK Annotated Anodyne CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)C/C(=C\C(=O)N1CC(OC)=CC1=O)OC)OC ZINC000095558748 KK Annotated Mild CC(C)(C)Nc1c(-c2c3ccccc3c(NCCCCCCCCN)c3ccccc23)nc2ccccn12 ZINC000095558752 KK Annotated Bother CC(C)(C)c1ccc(-c2cc(CC(=O)O)ccc2[C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)cc1 ZINC000095558758 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(CC(=O)O)ccc2[C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)cc1 ZINC000095558759 KK Annotated Anodyne COc1ccc(C2=C(OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 ZINC000095558856 KK Annotated Reactive CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC(F)(F)CC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558878 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@@H]5CCCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558884 KK Annotated Anodyne CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@H](C)N=C(N1)N32 ZINC000095558893 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N32 ZINC000095558894 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558908 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095558922 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(OC)ccc4c3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095558950 KK Annotated Mild CC(C)[C@@H](OC(=O)N(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558956 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCC(=O)O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095558965 KK Annotated Anodyne CC1=C(OCC(=O)OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095558999 KK Annotated Reactive CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559019 KK Annotated Anodyne CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@]23CC(=O)N(c2ccc(Cl)cc2)C3=O)cc1 ZINC000095559030 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(C)ccc4c3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095559032 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000095559033 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccc(O)c(OC)c2)ccc1O ZINC000095559034 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(F)(F)F)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559067 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CC[C@@H](C(=O)O)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559076 KK Annotated Anodyne CCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCC)c(C)c2C)nc2ccccc21 ZINC000095559083 KK Annotated Reactive CC(C)[C@@H](OC(=O)N(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559084 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559094 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559151 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559192 KK Annotated Anodyne CC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559193 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559194 KK Annotated Anodyne CC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559195 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(C(F)(F)F)nc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559212 KK Annotated Anodyne CC1CCN([C@H](c2ccc(C(F)(F)F)nc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559213 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(C(F)(F)F)nc2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559214 KK Annotated Anodyne CC1CCN([C@H](c2ccc(C(F)(F)F)nc2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559215 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cn2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559216 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cn2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559217 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cn2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559218 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cn2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559219 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)cc2)c2ccc(C(C)(C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559229 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)cc2)c2ccc(C(C)(C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095559230 KK Annotated Anodyne CC(C)c1ccc(Nc2ncnc3c2ncn3C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1 ZINC000095559246 KK Annotated Anodyne COc1cc([C@@H]2CC(=NOC(=O)c3ccc(Cl)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559350 KK Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccc(Cl)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559351 KK Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccc(Cl)cc3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095559352 KK Annotated Mild CCCCc1sc(NC(=O)c2ccc(OCCCN(CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095559368 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559371 KK Annotated Anodyne CC(=O)OC1=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095559395 KK Annotated Reactive C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CC[C@@H](CCCc3cc4c(cc(OCC)nc4cc3OC)O2)C1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095559401 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CC[C@H](CCCc3cc4c(cc(OCC)nc4cc3OC)O2)C1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095559402 KK Annotated Mild NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000095559420 KK Annotated Anodyne NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)C[C@H]1C(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000095559421 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CN(C)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559430 KK Annotated Anodyne O=C1C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C2CCCCC2)C(=O)c2ccccc21 ZINC000095559445 KK Annotated Reactive CCN(CC)c1ccc2c(C)c(-c3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@H](c4ccccc4)C5)cc3)c(=O)oc2c1 ZINC000095559446 KK Annotated Reactive CCN(CC)c1ccc2c(C)c(-c3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@H](c4ccccc4)C5)cc3)c(=O)oc2c1 ZINC000095559447 KK Annotated Reactive CCN(CC)c1ccc2c(C)c(-c3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@@H](c4ccccc4)C5)cc3)c(=O)oc2c1 ZINC000095559448 KK Annotated Reactive CCN(CC)c1ccc2c(C)c(-c3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@@H](c4ccccc4)C5)cc3)c(=O)oc2c1 ZINC000095559449 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCN(C)C)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559457 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)N(C)[C@@H]1CCC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095559477 KK Annotated Mild CO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559488 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CN(C)C6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559495 KK Annotated Anodyne O=C1C(Cc2ccccc2)=C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000095559518 KK Annotated Reactive CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)N(C)C)ccc2O)n3Cc2ccc(OC)c(O)c2)n1 ZINC000095559529 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559547 KK Annotated Anodyne Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(Cl)cc(Cl)c(O)c5n4)cc3)nc12 ZINC000095559557 KK Annotated Anodyne O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000095559558 KK Annotated Bother O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCCCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000095559559 KK Annotated Bother CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN([C@@H]6CCOC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559584 KK Annotated Anodyne Cc1nc2ccccn2c1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3c(C)nc4ccccn34)cc2)cc1 ZINC000095559630 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC3(CC2)CC3)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559646 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC3(CC2)CC3)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559647 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC3(CC2)CC3)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559648 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC3(CC2)CC3)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559649 KK Annotated Anodyne Clc1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccc(Cl)cc6Cl)[nH]c5c4)cc3[nH]2)c(Cl)c1 ZINC000095559661 KK Annotated Anodyne COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1OCCCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000095559727 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)Cc5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095559756 KK Annotated Bother COc1cc(-c2cc3cc(OC)c(OC)c(OC)c3c(C)[n+]2C)cc(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000095559777 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@@H](C3=O)[C@@H](S(=O)(=O)O)[C@@H]3C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C3=O ZINC000095559798 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@H](S(=O)(=O)O)[C@H]2C3=O ZINC000095559799 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559815 KK Annotated Anodyne CCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCC)c(C)c2C)nc2ccccc21 ZINC000095559859 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559883 KK Annotated Anodyne COc1cc(C)cc(OC)c1Oc1nc(NCCNc2nc(Nc3ccc(C#N)cc3)nc(Oc3c(OC)cc(C)cc3OC)n2)nc(Nc2ccc(C#N)cc2)n1 ZINC000095559888 KK Annotated Mild COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000095559890 KK Annotated Anodyne CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559900 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095559920 KK Annotated Anodyne COc1ccc(C(=O)N(Cc2ccccn2)[C@@H](C(=O)NC(C)(C)C)c2ccc(-c3ccc(OC)cc3)cc2)cc1 ZINC000095559921 KK Annotated Anodyne COc1ccc(C(=O)N(Cc2ccccn2)[C@H](C(=O)NC(C)(C)C)c2ccc(-c3ccc(OC)cc3)cc2)cc1 ZINC000095559922 KK Annotated Anodyne O=C1N=C(NCCCCCCCNC2=NC(=O)/C(=C/C=C/c3ccccc3)S2)S/C1=C\C=C\c1ccccc1 ZINC000095559958 KK Annotated Clean CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095559965 KK Annotated Anodyne COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000095559995 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000095559996 KK Annotated Mild CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cnc2c(NC3CCCCC3)nc(N)nc21)OCOC(=O)C(C)(C)C ZINC000095560001 KK Annotated Anodyne CCC[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560045 KK Annotated Anodyne CCC[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560046 KK Annotated Anodyne CCC[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560047 KK Annotated Anodyne CCC[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560048 KK Annotated Anodyne CN(C)CCCNc1c2ccccc2c(-c2nc3ccccn3c2NC(C)(C)CC(C)(C)C)c2ccccc12 ZINC000095560054 KK Annotated Bother CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095560104 KK Annotated Mild CCCCc1sc(Nc2ccc(OCCCN(CC)CC)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560167 KK Annotated Anodyne C[C@@H]1C[C@H](COC(=O)N(C)C)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6CN(C(=O)CC7CC7)CCO6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095560173 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCN(C)CC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095560193 KK Annotated Anodyne COc1cc(OC)c(S(=O)(=O)N2c3ccccc3Oc3ccccc32)cc1NC(=O)Cc1ccnc(F)c1 ZINC000095560289 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CNS(=O)(=O)C(F)(F)F)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095560295 KK Annotated Anodyne CC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095560310 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095560329 KK Annotated Anodyne CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095560416 KK Annotated Mild C[C@H]1CN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccc(F)cc6)nn45)c3n2)C[C@@H](C)O1 ZINC000095560426 KK Annotated Anodyne CCCCCCCC[N+](C)(CCCCCCCC)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095560455 KK Annotated Mild O=C(O)Cc1ccc([C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560461 KK Annotated Mild O=C(O)Cc1ccc([C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560462 KK Annotated Mild CC1CCN([C@@H](c2ccc(Cl)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560471 KK Annotated Anodyne CC1CCN([C@H](c2ccc(Cl)cc2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560472 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(Cl)cc2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560473 KK Annotated Anodyne CC1CCN([C@H](c2ccc(Cl)cc2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560474 KK Annotated Anodyne COc1cc2c(-c3ccc(-c4ccccc4)cc3)cc3c4ccc5c(c4c[n+](C)c3c2cc1OC)OCO5 ZINC000095560531 KK Annotated Bother CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCN5CCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095560544 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@@]1(C)C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095560553 KK Annotated Mild O=C1C(Cc2ccccc2)=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000095560566 KK Annotated Reactive CCCCc1sc(-c2ccc(OCCN(C)C)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095560627 KK Annotated Anodyne CCO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000095560629 KK Annotated Anodyne CCO[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](OC(C)=O)C[C@H]([C@H](C)[C@H](C/C=C(\C)C(=O)O)OC(C)=O)[C@@]1(C)CC2 ZINC000095560630 KK Annotated Anodyne Cc1cc(C)c(Nc2nc(NCCCCCNc3nc(Nc4c(C)cc(C)cc4C)nc(Nc4c(C)cc(C)cc4C)n3)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1 ZINC000095560633 KK Annotated Anodyne Cc1cc(C)c(Nc2nc(NCCNc3nc(Nc4ccc(C#N)cc4)nc(Oc4c(C)cc(C)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000095560643 KK Annotated Mild CC(=O)O[C@@H](C/C=C(\C)C(=O)O)[C@@H](C)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C ZINC000095560708 KK Annotated Anodyne COCCN1CCO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(=O)N7CCC7)C(C)C)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)C1 ZINC000095560713 KK Annotated Anodyne CC(C)C(=O)N1CCO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(=O)N7CCC7)C(C)C)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)C1 ZINC000095560723 KK Annotated Anodyne O=C1C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C2CCCCC2)C(=O)c2ccccc21 ZINC000095560734 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCCC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095560738 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)c(F)c2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560755 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)c(F)c2)c2ccc([C@@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560756 KK Annotated Anodyne CC1CCN([C@@H](c2ccc(F)c(F)c2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560757 KK Annotated Anodyne CC1CCN([C@H](c2ccc(F)c(F)c2)c2ccc([C@H](C)C(=O)O)cc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000095560758 KK Annotated Anodyne CC(C)(C)Nc1c(-c2c3ccccc3cc3ccccc23)nc2ccc(NCCCCCCCCN)cn12 ZINC000095560779 KK Annotated Bother CCCCCCCCCC[N+](C)(CCCCCCCCCC)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095560799 KK Annotated Mild CC(C)(C(=O)O)c1ccc(-c2ccccc2C(=O)Nc2ccc3cc(C(=O)N[C@H](C(=O)NCc4ccc(F)cc4)c4ccccc4)ccc3n2)cc1 ZINC000095560800 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)C(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095560903 KK Annotated Anodyne CCCCc1nc(Cl)c([C@@H]2[C@H]3C(C)=NN(c4ccccc4)C3=Nc3c(/N=N/c4ccc(Cl)cc4)c(N)nn32)[nH]1 ZINC000095560930 KK Annotated Clean CCc1cc(-c2ccc(C(F)(F)F)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)N(C)C)ccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095560943 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095560958 KK Annotated Bother CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN6CCOCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095560968 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)C[C@@H]1C[C@@H]1c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095560986 KK Annotated Mild CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)C(C)(C)C)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095560995 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CN6CCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561018 KK Annotated Anodyne CCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCC)c(C)c2C)nc2ccccc21 ZINC000095561038 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCF)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561053 KK Annotated Anodyne Cc1cc(Cl)cc(C)c1Oc1nc(NCCNc2nc(Nc3ccc(C#N)cc3)nc(Oc3c(C)cc(Cl)cc3C)n2)nc(Nc2ccc(C#N)cc2)n1 ZINC000095561093 KK Annotated Mild O=C(O)C[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 ZINC000095561111 KK Annotated Anodyne CCOC(=O)C[C@H]1C(c2nc(-c3ccc(OC)cc3)no2)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000095561161 KK Annotated Anodyne CCOC(=O)C[C@@H]1C(c2nc(-c3ccc(OC)cc3)no2)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 ZINC000095561162 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2C[C@H]3CCC[C@H]3C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561182 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2C[C@H]3CCC[C@H]3C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561183 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CCC[C@H]3C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561184 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CCC[C@H]3C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561185 KK Annotated Anodyne CC[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561252 KK Annotated Anodyne CC[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561253 KK Annotated Anodyne CC[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561254 KK Annotated Anodyne CC[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561255 KK Annotated Anodyne CCN(CC)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc4c(cc23)C(C)(C)CCN4C)s1 ZINC000095561291 KK Annotated Bother C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1ccc3c(c1)c(cc1nccn13)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095561306 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095561312 KK Annotated Mild CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN6CCOC6=O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561341 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095561353 KK Annotated Bother CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561369 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCN(C)CC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561379 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)O[C@@H]1CCC[C@H]1CCC/C=C/c1cc3ccc(OC)cc3nc1O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095561414 KK Annotated Mild COC(=O)OC[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CC6CC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561425 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561431 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561432 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N(C)C5CN(C)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561454 KK Annotated Anodyne CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(/C)c1cccc(O/C(F)=C(\c2ccc(OC)cc2)C(F)(F)F)c1 ZINC000095561455 KK Annotated Mild CCC(=O)NC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095561473 KK Annotated Anodyne O=C1C(O)=C(c2ccc(OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21 ZINC000095561474 KK Annotated Reactive Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2ccc(F)cc2F)sc(C(=O)NNCc2nc3ccccc3n2Cc2ccc(F)cc2F)c1C ZINC000095561485 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCOC)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561494 KK Annotated Anodyne CC(=O)Nc1nc2ccc(N(C)c3ccc(F)c(NC(=O)c4cccc(OC(C)(C)C#N)c4)c3)nc2s1 ZINC000095561508 KK Annotated Mild CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561517 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C)(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561551 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(C)(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561552 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C)(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561553 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(C)(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561554 KK Annotated Anodyne COC1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5ccc(-c6ccc(F)cc6)nn45)c3n2)CC1 ZINC000095561573 KK Annotated Anodyne CN(C)CCCNc1ccc2nc(-c3c4ccccc4cc4ccccc34)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000095561654 KK Annotated Bother CC(=O)Nc1nc2ccc(N(C)c3ccc(F)c(NC(=O)c4cccc(OC(C)(C)C#N)c4Cl)c3)nc2s1 ZINC000095561713 KK Annotated Mild CC(=O)OC1=C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095561719 KK Annotated Reactive C=C(C)CO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561829 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccc(C)cc2)ccc1O ZINC000095561830 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccc(C)cc2)ccc1O ZINC000095561831 KK Annotated Mild CCN(CC)C(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3c4c5c(cc23)CCCN5CCC4)s1 ZINC000095561832 KK Annotated Bother CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCCC(=O)O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561887 KK Annotated Anodyne CCCC(=O)NC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095561889 KK Annotated Anodyne CC(=O)N1CCN(C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(=O)N7CCC7)C(C)C)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)CC1 ZINC000095561894 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1CCC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095561903 KK Annotated Mild CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561905 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N(C)CC(=O)O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095561915 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095561928 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccco4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095561984 KK Annotated Anodyne COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccc(O)cc2)ccc1O ZINC000095561985 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccc(O)cc2)ccc1O ZINC000095561986 KK Annotated Mild O=C(O)c1ccc2c(ccc3nn(-c4ccc(/C=C/c5ccc(-n6nc7ccc8cc(C(=O)O)ccc8c7n6)cc5S(=O)(=O)O)c(S(=O)(=O)O)c4)nc32)c1 ZINC000095562090 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@H]([N+]5(C)CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095562103 KK Annotated Bother CNC(=O)OC[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CC6CC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562115 KK Annotated Anodyne Cc1cc(C)c(Oc2nc(NCCCNc3nc(Nc4ccc(C#N)cc4)nc(Oc4c(C)cc(C)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000095562124 KK Annotated Mild CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OC[C@@H]2CCCN(CC)C2)cc1 ZINC000095562126 KK Annotated Anodyne CCCCc1nc(-c2ccc(Oc3ccc(Cl)cc3)cc2)sc1-c1ccc(OC[C@H]2CCCN(CC)C2)cc1 ZINC000095562127 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)N(C)C)ccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095562159 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCNS(=O)(=O)C(F)(F)F)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562167 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CC6CNC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562190 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)O)ccc2O)n3Cc2ccc(OC)c(O)c2)n1 ZINC000095562193 KK Annotated Anodyne CC1=C(OC(=O)CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095562194 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(=O)N6CCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562195 KK Annotated Anodyne O=C1C=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000095562217 KK Annotated Reactive CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562252 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562255 KK Annotated Anodyne Cc1cc(C)c(Nc2nc(NCCNc3nc(Nc4ccc(C#N)cc4)nc(Nc4c(C)cc(/C=C/C#N)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000095562269 KK Annotated Reactive Cc1cc(Cl)cc(C)c1Oc1nc(NCCCNc2nc(Nc3ccc(C#N)cc3)nc(Oc3c(C)cc(Cl)cc3C)n2)nc(Nc2ccc(C#N)cc2)n1 ZINC000095562285 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562287 KK Annotated Anodyne CC(C)[C@@H](OC(N)=O)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562289 KK Annotated Anodyne C[C@@H]1C[C@H](COC(N)=O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6CN(C(=O)CC7CC7)CCO6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095562343 KK Annotated Anodyne CCC(=O)NC[C@@]1(O)[C@H](OC(=O)CC)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(Cc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095562356 KK Annotated Anodyne O=C(CCCCC[C@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000095562358 KK Annotated Bother O=C(CCCCC[C@@H]1c2nc(Cc3ccccc3)c(o2)[C@@H](Cc2ccccc2)CCn2cc(nn2)CCCN1Cc1ccccc1)NO ZINC000095562359 KK Annotated Bother CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OC[C@@H]2CCCN(CC)C2)cc1 ZINC000095562371 KK Annotated Anodyne CCCCc1sc(-c2ccc(Oc3ccc(Cl)cc3)cc2)nc1-c1ccc(OC[C@H]2CCCN(CC)C2)cc1 ZINC000095562372 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562375 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4cc(C#N)ccc4c3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095562376 KK Annotated Mild CCOC(=O)C(CCCOc1cccc(OCCCNc2ccc(C)cc2)c1C(=O)CC)C(=O)OCC ZINC000095562382 KK Annotated Anodyne CCN(CC)C(=S)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3c4c5c(cc23)CCCN5CCC4)s1 ZINC000095562400 KK Annotated Bother CCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCC)Cc1cc(O)c2c(c1)C(=O)c1cc(OC)cc(O)c1C2=O ZINC000095562419 KK Annotated Mild CCCCCCCCN(CCCCCCCC)c1c(-c2c3ccccc3cc3ccccc23)nc2ccccn12 ZINC000095562450 KK Annotated Mild C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2C[C@H]3CC[C@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095562456 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2C[C@H]3CC[C@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095562457 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CC[C@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095562458 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2C[C@H]3CC[C@H](C3)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095562459 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccc(F)cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000095562480 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6(C)COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562486 KK Annotated Anodyne CCc1cc(-c2ccc(C(F)(F)F)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)N4CCCC4)ccc2O)n3Cc2c[nH]c(=O)c(C)c2)n1 ZINC000095562488 KK Annotated Anodyne CN1CCC(C)(C)c2cc3c(-c4ccc(C(=O)N5CCCCC5)s4)c4ccc(=[N+](C)C)cc-4sc3cc21 ZINC000095562510 KK Annotated Bother NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000095562555 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(OC)c(O)c2)n1 ZINC000095562561 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCCC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562563 KK Annotated Anodyne Cc1cc(C)c(Nc2nc(NCCCCNc3nc(Nc4c(C)cc(C)cc4C)nc(Nc4c(C)cc(C)cc4C)n3)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1 ZINC000095562585 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCOCC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562614 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(F)ccc2O)n3Cc2ccc(OC)c(O)c2)n1 ZINC000095562685 KK Annotated Anodyne O=C1C(O)=C(c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21 ZINC000095562715 KK Annotated Reactive CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2ccc(OC)nc2)n1 ZINC000095562733 KK Annotated Anodyne CC(C)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562756 KK Annotated Anodyne CC1=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095562769 KK Annotated Reactive CC(C)c1ccc(Nc2nc(N)nc3c2ncn3C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)cc1 ZINC000095562827 KK Annotated Anodyne CCCCc1sc(-c2ccc(OCCCN(C)C)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095562841 KK Annotated Anodyne Cc1cc(C)c(Nc2nc(NCCCNc3nc(Nc4c(C)cc(C)cc4C)nc(Nc4c(C)cc(C)cc4C)n3)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1 ZINC000095562885 KK Annotated Anodyne CC(C)CO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095562926 KK Annotated Anodyne CCO[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562955 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CC(NCC(F)(F)F)C5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095562964 KK Annotated Anodyne COc1cc([C@@H]2CC(=NOC(=O)c3ccc(Br)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095563006 KK Annotated Mild COc1cc([C@H]2CC(=NOC(=O)c3ccc(Br)cc3)C[C@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095563007 KK Annotated Mild COc1cc([C@@H]2CC(=NOC(=O)c3ccc(Br)cc3)C[C@@H](c3ccc(O)c(OC)c3)N2C)ccc1O ZINC000095563008 KK Annotated Mild CCc1cc(-c2ccc(C(F)(F)F)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)N4CCCC4)ccc2O)n3Cc2cc(C)c(=O)n(C)c2)n1 ZINC000095563015 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)O[C@@H]1CCCC[C@H]1C/C=C/c1cc3c(cc(OCC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095563032 KK Annotated Mild Cc1cc(C)c(Nc2nc(NCCCNc3nc(Nc4ccc(C#N)cc4)nc(Nc4c(C)cc(/C=C/C#N)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000095563055 KK Annotated Reactive CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)C4CC4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095563092 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(N)=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095563102 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095563141 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN6CCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095563218 KK Annotated Anodyne COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccccc2O)ccc1O ZINC000095563245 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccccc2O)ccc1O ZINC000095563246 KK Annotated Mild Cc1cc(F)ccc1-c1cc(N2CCN(S(C)(=O)=O)C[C@H]2CO)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095563249 KK Annotated Mild CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)O)ccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095563266 KK Annotated Anodyne COc1cc(-c2cc3cc(OC)c(OC)c(OC)c3c(C)n2)cc(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000095563284 KK Annotated Anodyne CCCCc1sc(-c2ccc(OC[C@@H]3CCCN(CC)C3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563334 KK Annotated Anodyne CCCCc1sc(-c2ccc(OC[C@H]3CCCN(CC)C3)cc2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000095563335 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc(NC)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095563338 KK Annotated Mild CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(C5(C#N)CC5)c4Cl)ccc3C)nc2s1 ZINC000095563352 KK Annotated Mild C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N(CCNC(=O)[C@H](CCCCN)NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 ZINC000095563362 KK Annotated Reactive CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCC(=O)O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095563363 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCN(CCOC)CC5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095563378 KK Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](OC(=O)N[C@@H]6CN7CCC6CC7)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095563386 KK Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](OC(=O)N[C@H]6CN7CCC6CC7)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095563387 KK Annotated Anodyne C[C@@H]1C[C@H]([C@H](O)C(C)(C)O)O[C@@H]2[C@H](O)[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@H]6CN(C(=O)CC7CC7)CCO6)CC[C@@]56C[C@@]46CC[C@]3(C)[C@H]21 ZINC000095563411 KK Annotated Anodyne CC1=C(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095563430 KK Annotated Reactive CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CNC5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095563468 KK Annotated Anodyne O=C1N=C(NCCCCCCCNC2=NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)S2)S/C1=C\c1ccc(-c2ccccc2)o1 ZINC000095563481 KK Annotated Clean O=c1c(OCc2ccccc2)c(-c2ccc(OCCOCCNCCOCCOc3ccc(-c4oc5ccccc5c(=O)c4OCc4ccccc4)cc3)cc2)oc2ccccc12 ZINC000095563509 KK Annotated Anodyne COc1ccc(/C=C2\OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1 ZINC000095563511 KK Annotated Anodyne CC(C)(C)C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563550 KK Annotated Anodyne CC(C)(C)C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563551 KK Annotated Anodyne CC(C)(C)C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563552 KK Annotated Anodyne CC(C)(C)C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563553 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563560 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563561 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563562 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563563 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(nc4ccccc4c3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095563615 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccccc2)ccc1O ZINC000095563638 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccccc2)ccc1O ZINC000095563639 KK Annotated Mild CCOC(=O)c1ccc(NC(=O)CSc2nncnc2-c2cccc3ccccc23)c(Br)c1 ZINC000095563641 KK Annotated Anodyne CCCCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCCCC)c(C)c2C)nc2ccccc21 ZINC000095563647 KK Annotated Reactive CC[C@@H]1C=CCC[C@@]2(C[C@@H]3CC[C@@H]4[C@H](C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@@H](O)CCN)[C@]5(CCC[C@@H](C)O5)N=C(N2)N34)O1 ZINC000095563652 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CC(O)C5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095563658 KK Annotated Anodyne COc1cc2c(cc1OC)C(=O)[C@]1(C2)[C@@H](c2ccccc2Cl)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccc(OC(F)(F)F)cc12 ZINC000095563690 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)CC(C)C)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095563698 KK Annotated Anodyne O=C(Nc1cc(-c2ccc(O[C@@H]3CCCCO3)cc2)cc(-c2ccc(O[C@@H]3CCCCO3)cc2)c1)C(Cl)Cl ZINC000095563707 KK Annotated Reactive O=C(Nc1cc(-c2ccc(O[C@H]3CCCCO3)cc2)cc(-c2ccc(O[C@@H]3CCCCO3)cc2)c1)C(Cl)Cl ZINC000095563708 KK Annotated Reactive O=C(Nc1cc(-c2ccc(O[C@H]3CCCCO3)cc2)cc(-c2ccc(O[C@H]3CCCCO3)cc2)c1)C(Cl)Cl ZINC000095563709 KK Annotated Reactive NC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2Cl)CC(=O)N1CCC(c1ccccc1)c1ccccc1 ZINC000095563711 KK Annotated Anodyne O=C1C(Cc2ccc(Cl)cc2)=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 ZINC000095563731 KK Annotated Reactive CNC(=O)O[C@H](C(C)C)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CNCCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095563738 KK Annotated Anodyne COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@H]2c2ccc(Cl)cc2)ccc1O ZINC000095563746 KK Annotated Mild COc1cc(/C=C/C(=O)C2=C(/C=C/c3ccc(O)c(OC)c3)N=C3Sc4ccccc4N3[C@@H]2c2ccc(Cl)cc2)ccc1O ZINC000095563747 KK Annotated Mild CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CN(C)C5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095563768 KK Annotated Anodyne CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+]5(C)CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095563776 KK Annotated Bother C[C@H](NC(=O)c1ccc(N2[C@H]3CC[C@@H]2CC(NC(=O)c2ccc(C(N)=O)c(Nc4ccccc4)c2)C3)nc1)c1ccc(N2CCN(C)CC2)cc1 ZINC000095563798 KK Annotated Clean CNC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]5[C@H](O[C@@H]([C@H](OC(=O)N6CCC6)C(C)C)C[C@H]5C)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C ZINC000095563813 KK Annotated Anodyne COc1cc2c(=O)c(-c3cc(OC)c4c(c3OC)OCO4)coc2cc1OC/C=C/CCC(=O)NCCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 ZINC000095563946 KK Annotated Anodyne CCN(CC)C(=S)c1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc4c(cc23)C(C)(C)CCN4C)s1 ZINC000095563969 KK Annotated Bother COc1cc(OC)c(S(=O)(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1NC(=O)CCC(=O)O ZINC000095563984 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCc1cc3c(cc4nccn4c3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095564005 KK Annotated Mild CN1CCC(C)(C)c2cc3c(-c4ccc(C(=S)N5CCCCC5)s4)c4ccc(=[N+](C)C)cc-4sc3cc21 ZINC000095564027 KK Annotated Bother CC(=O)OC[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CC6CC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564056 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H](C[C@@H]4C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C4=O)C3=O ZINC000095564061 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@@]12[C@H]4C[C@@H](C[C@H]1C3=O)C(=O)[C@]2(C/C=C(/C)C(=O)O)OC4(C)C ZINC000095564062 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCN[C@H](C(F)(F)F)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095564097 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CCN[C@@H](C(F)(F)F)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095564098 KK Annotated Anodyne CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O[C@@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@H](C)N=C(N1)N32 ZINC000095564119 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O[C@@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N32 ZINC000095564120 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@H](C)N=C(N1)N32 ZINC000095564121 KK Annotated Mild CCCCCCC[C@@H]1C[C@@H]2CCC3=C(C(=O)O[C@H](C)CCCCCCC[C@@H]4C[C@@H]5CC[C@@H]6C[C@H](C)NC(=N4)N56)[C@@H](C)N=C(N1)N32 ZINC000095564122 KK Annotated Mild CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@@H](C3=O)[C@H](S(=O)(=O)O)[C@@H]3C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C3=O ZINC000095564124 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O)OC4(C)C)[C@@H](S(=O)(=O)O)[C@H]2C3=O ZINC000095564125 KK Annotated Anodyne CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(F)ccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095564128 KK Annotated Anodyne CC1=C(OC(=O)CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O ZINC000095564130 KK Annotated Reactive CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN([C@H]6CCOC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095564153 KK Annotated Anodyne CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(CNC(=O)c4ccccc4)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2 ZINC000095564162 KK Annotated Anodyne COc1ccc(-c2ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)CCc3ccc(O)c(O)c3)C(C)(C)C)cc2)cc1 ZINC000095564168 KK Annotated Clean COc1ccc(-c2ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)CCc3ccc(O)c(O)c3)C(C)(C)C)cc2)cc1 ZINC000095564169 KK Annotated Clean CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@H]5CCCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564179 KK Annotated Anodyne Cc1cc(C)c(N(C)c2nc(NCCCNc3nc(Nc4ccc(C#N)cc4)nc(N(C)c4c(C)cc(C)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 ZINC000095564236 KK Annotated Mild CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CCC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564237 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCC(C)(C)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095564263 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCCC(C)(C)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095564264 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCC(C)(C)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095564265 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCCC(C)(C)C2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095564266 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N5CC[C@H](C(=O)O)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095564319 KK Annotated Anodyne CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCO)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095564340 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)N[C@@H]5CCNC5=O)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564347 KK Annotated Anodyne CCc1cc(-c2ccc(C(F)(F)F)o2)n(-c2ccc3c(c2)nc(-c2cc(C(=O)N4CCCC4)ccc2O)n3Cc2ccc(=O)[nH]c2)n1 ZINC000095564363 KK Annotated Anodyne CC(C)[C@@H](OC(=O)N1CCC1)[C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NCCNS(=O)(=O)C(F)(F)F)CC[C@@]45C[C@@]35CC[C@]21C ZINC000095564369 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCN(CCCCCOc2c(Br)cc(Br)cc2Oc2ccc(Br)cc2Br)CC1 ZINC000095564382 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000095564395 KK Annotated Clean CC(=O)[C@]1(OC(=O)/C=C/c2ccc(Cl)cc2)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccc(Cl)cc5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000095564402 KK Annotated Anodyne CC(=O)[C@]1(OC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5ccccc5[N+](=O)[O-])CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000095564403 KK Annotated Anodyne O=C1NCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)CNC(=O)c2cccc(c2)OCc2ccc(cc2)-c2cccc(c2)-c2ccc(cc2)COc2cccc1c2 ZINC000095564412 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5C[C@@H](N=[N+]=[N-])CN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000095564421 KK Annotated Clean CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cc(C(F)(F)F)cc(C(F)(F)F)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C ZINC000095564423 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095564425 KK Annotated Anodyne CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@@](C)(COc1ccc(C#N)cc1)CN2C ZINC000095564472 KK Annotated Mild CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)O[C@](C)(COc1ccc(C#N)cc1)CN2C ZINC000095564473 KK Annotated Mild COc1ccc(Cc2cccc([C@H]3S[C@@H](CC(=O)O)C(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1S[C@@H](CC(=O)O)C(=O)N1c1cccc(O)c1 ZINC000095564551 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccs2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095564583 KK Annotated Mild COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4ccc(OC)c(OC)c4)ccc3n2C)c1 ZINC000095564588 KK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCOCCOCCF)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095564604 KK Annotated Bother CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCOCCF)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095564605 KK Annotated Bother COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095564639 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccc(Cl)cc4)N(S(=O)(=O)c4ccccc4C)[C@H]3C[C@H]2c2cccc(Cl)c2)cc1 ZINC000095564715 KK Annotated Anodyne COc1cc2cc3c4cc(-c5ccc(-c6ccccc6)cc5)c(OC)c(OC)c4cc[n+]3cc2cc1OC ZINC000095564763 KK Annotated Bother C#CCN(C[C@H]1[C@H](OC(=O)Nc2cccs2)[C@H](OC(=O)Nc2cccs2)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095564819 KK Annotated Mild CC(C)Oc1cc(-c2ccc(-c3ccc(NC(=N)c4ccccn4)c(OC(C)C)c3)o2)ccc1NC(=N)c1ccccn1 ZINC000095564882 KK Annotated Anodyne CCN(CC)c1ccc2c(-c3ccccc3C(=O)OCCCF)c3ccc(=[N+](CC)CC)cc-3oc2c1 ZINC000095564922 KK Annotated Bother C=CCO[C@@H]1[C@H](OC(=O)CC)[C@H](Oc2ccc(I)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1OCc1ccc(OC)cc1 ZINC000095564978 KK Annotated Mild CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCCCC2)C1=S ZINC000095564999 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095565118 KK Annotated Mild Cc1cc(C)nc(NC(=S)N2CCN(c3cc(C(F)(F)F)nc4ccc(C(F)(F)F)cc34)CC2)c1 ZINC000095565124 KK Annotated Anodyne C=CCO[C@@H]1[C@H](OC(=O)CCc2ccccc2)[C@H](Oc2ccc(I)cc2)O[C@@H](COS(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]1O ZINC000095565158 KK Annotated Mild O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2F)CC1 ZINC000095565384 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095565506 KK Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCc3cccc(F)c3)nc(-c3cccc(C4=CCCCC4)c3)c2[C@H]1CCO ZINC000095565512 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095565613 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(C)=O)N2c2ccc(C#CC3(O)CCCCC3)cc2)c1 ZINC000095565746 KK Annotated Mild COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(C)=O)N2c2ccc(C#CC3(O)CCCCC3)cc2)c1 ZINC000095565747 KK Annotated Mild CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095565748 KK Annotated Anodyne CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)Cc4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c([C@@H](C)OCc1cccc(I)c1)c4C)c(C)c3CCC(=O)OC ZINC000095565754 KK Annotated Bother Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C(F)(F)F)cc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1 ZINC000095565795 KK Annotated Anodyne COc1ccc(CCNC(=O)C[C@H]2S[C@@H](c3ccc(C#Cc4ccccc4)cc3)N(c3ccc(C(N)=O)c(Cl)c3)C2=O)cc1OC ZINC000095565909 KK Annotated Mild COc1ccc(Cc2cccc([C@H]3SCC(=O)N3c3cccc(O)c3)c2)cc1[C@H]1SCC(=O)N1c1cccc(O)c1 ZINC000095565916 KK Annotated Anodyne COc1ccc(Cc2cccc([C@H]3SCC(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1SCC(=O)N1c1cccc(O)c1 ZINC000095565917 KK Annotated Anodyne COc1ccc(Cc2cccc([C@@H]3SCC(=O)N3c3cccc(O)c3)c2)cc1[C@H]1SCC(=O)N1c1cccc(O)c1 ZINC000095565918 KK Annotated Anodyne COc1ccc(Cc2cccc([C@@H]3SCC(=O)N3c3cccc(O)c3)c2)cc1[C@@H]1SCC(=O)N1c1cccc(O)c1 ZINC000095565919 KK Annotated Anodyne C=CC(=O)N1CCC[C@@H](c2c(Cl)c(-c3ccc(Oc4cccc(Cl)c4)c(OC)c3)c3c(N)ncnn23)C1 ZINC000095565921 KK Annotated Anodyne C=CC(=O)N1CCC[C@H](c2c(Cl)c(-c3ccc(Oc4cccc(Cl)c4)c(OC)c3)c3c(N)ncnn23)C1 ZINC000095565922 KK Annotated Anodyne CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)N(C)C[C@@](C)(COc1ccc(C#N)cc1)O2 ZINC000095565958 KK Annotated Mild Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(N5CCOCC5)cc43)c2C)c1 ZINC000095565959 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095565963 KK Annotated Mild Cc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(C(F)(F)F)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1 ZINC000095566132 KK Annotated Anodyne O=C1[C@H]2[C@@H](C(=O)N1Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)N[C@]21CCCN(Cc2ccc(Br)cc2)C1=O ZINC000095566148 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095566270 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4F)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095566299 KK Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3cccc(C(F)(F)F)c3)[C@H](c3ccc(-c4cc5ccccc5o4)cc3)C[C@@H]21 ZINC000095566316 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NCc4ccccc4Cl)O[C@H]2CO3)c1 ZINC000095566320 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095566325 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095566354 KK Annotated Mild CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2CC)cc(CC)c1-c1cn(Cc2ccc3ccccc3c2)nn1 ZINC000095566382 KK Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2CC)cc(CC)c1-c1cn(Cc2ccc3ccccc3c2)nn1 ZINC000095566383 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095566387 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095566410 KK Annotated Mild CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000095566416 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C1=S ZINC000095566417 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095566422 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@@H](CC(C)=O)N2c2ccc(C#CC3(O)CCCCC3)cc2)c1 ZINC000095566431 KK Annotated Mild COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@H](CC(C)=O)N2c2ccc(C#CC3(O)CCCCC3)cc2)c1 ZINC000095566432 KK Annotated Mild COc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccccc2)C(=O)C[C@@H](c2ccccc2F)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095566433 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095566484 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095566487 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095566514 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4Cl)[C@@H]3C[C@@H]2c2ccccc2)cc1 ZINC000095566517 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4Cl)[C@@H]3C[C@@H]2c2ccccc2)cc1 ZINC000095566518 KK Annotated Anodyne NC(=O)c1ccc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@H]3CC(=O)c3ccco3)cc2)cc1 ZINC000095566552 KK Annotated Anodyne NC(=O)c1ccc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@@H]3CC(=O)c3ccco3)cc2)cc1 ZINC000095566553 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095566556 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCSCC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095566559 KK Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)O[C@@H](COCc1ccccc1)CN([C@@H](C)c1ccccc1)S2(=O)=O ZINC000095566580 KK Annotated Anodyne COC(=O)C1=C(c2ccc(OCc3ccccc3)cc2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccccc1C(F)(F)F ZINC000095566597 KK Annotated Anodyne CC(C)(O)C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@H]2c2c[nH]c3ccccc23)cc1 ZINC000095566636 KK Annotated Mild CC(C)(O)C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@@H]2c2c[nH]c3ccccc23)cc1 ZINC000095566637 KK Annotated Mild Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2cccc(Cl)c2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095566677 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095566678 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(CC)Cc1cccc(Br)c1 ZINC000095566682 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4cccc(Cl)c4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095566693 KK Annotated Anodyne COc1ccc2c(c1)nc(-c1cccc(Br)c1)c(=O)n2[C@@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095566696 KK Annotated Anodyne COc1ccc2c(c1)nc(-c1cccc(Br)c1)c(=O)n2[C@H](c1ccccn1)c1nc2ccccc2[nH]1 ZINC000095566697 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095566704 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095566707 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095566718 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095566719 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095566740 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095566744 KK Annotated Mild CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000095566745 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000095566746 KK Annotated Anodyne CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)oc1-c1ccccc1 ZINC000095566755 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095566796 KK Annotated Mild COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(-c4cccnc4)cc3[C@@H]2CC(=O)C2CC2)cc1 ZINC000095566882 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(-c4cccnc4)cc3[C@H]2CC(=O)C2CC2)cc1 ZINC000095566883 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095566897 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095566898 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095566917 KK Annotated Anodyne CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3COC)ccc2S1(=O)=O ZINC000095566919 KK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2cccc(Br)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(Cl)c1 ZINC000095566930 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccccc3C)[C@H]2c2ccc(Cl)cc2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 ZINC000095566934 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095566943 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095566947 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCc4ccccc4Cl)O[C@H]2CO3)c1 ZINC000095566948 KK Annotated Anodyne O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3F)cc2)SC(=S)N1CCS(=O)(=O)O ZINC000095566969 KK Annotated Clean COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095566977 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095566990 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095567012 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000095567047 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000095567048 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095567060 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095567071 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095567074 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccccc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095567089 KK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567119 KK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567120 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095567125 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095567133 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000095567161 KK Annotated Anodyne COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCC2=CCCCC2)C[C@H](C(=O)N2CCOCC2)[C@@]31CCC1CCCC1 ZINC000095567162 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccccc2F)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095567164 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095567182 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095567192 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567196 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](CCc1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567197 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095567206 KK Annotated Anodyne COc1ccccc1[C@@H](c1cccc2ccccc12)[C@@](C)(C#N)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000095567208 KK Annotated Mild COc1ccccc1[C@@H](c1cccc2ccccc12)[C@](C)(C#N)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000095567209 KK Annotated Mild COc1ccccc1[C@H](c1cccc2ccccc12)[C@](C)(C#N)C(=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000095567210 KK Annotated Mild O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567218 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567219 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095567277 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095567279 KK Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095567283 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccccc2)nc2ccccc21 ZINC000095567284 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095567291 KK Annotated Anodyne COc1ccc(NC(=O)[C@H](c2ccc(OC)cc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095567292 KK Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccc(OC)cc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095567293 KK Annotated Anodyne COc1ccc([C@@H](C(=O)NCc2ccccc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095567294 KK Annotated Anodyne COc1ccc([C@H](C(=O)NCc2ccccc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095567295 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095567301 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2Cl)cc1 ZINC000095567306 KK Annotated Anodyne CCc1nc2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3OC)cn2c1N(C)C(=O)c1cccc(OC)c1 ZINC000095567317 KK Annotated Anodyne CCc1cc(-c2nnn(CC[C@@H]3COCCO3)c2CC)cc(CC)c1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000095567341 KK Annotated Anodyne CCc1cc(-c2nnn(CC[C@H]3COCCO3)c2CC)cc(CC)c1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000095567342 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N[C@H](c2ccccc2)C1 ZINC000095567364 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095567377 KK Annotated Anodyne O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 ZINC000095567402 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095567440 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095567467 KK Annotated Anodyne Cc1ccccc1[C@H](NC1c2ccccc2C=Cc2ccccc21)P(=O)(c1ccccc1)c1ccccc1 ZINC000095567469 KK Annotated Reactive COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@@H](CC(C)=O)N2c2ccc(-c3cccs3)cc2)c1 ZINC000095567475 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@H](CC(C)=O)N2c2ccc(-c3cccs3)cc2)c1 ZINC000095567476 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095567485 KK Annotated Anodyne CCCCC[C@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3COC)ccc2S1(=O)=O ZINC000095567486 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095567507 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095567509 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095567516 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095567517 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095567518 KK Annotated Anodyne Oc1ccc(C[C@H]2CNC(=S)N2C[C@H]2CCCN2C[C@H](Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095567544 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095567547 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCCN3CCOCC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095567548 KK Annotated Anodyne COc1ccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(Br)cc3)N2S(=O)(=O)c2ccccc2C)cc1 ZINC000095567558 KK Annotated Anodyne CSCC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 ZINC000095567612 KK Annotated Anodyne CSCC[C@H](c1nc2ccccc2[nH]1)n1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2ccccc21 ZINC000095567613 KK Annotated Anodyne O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3F)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000095567649 KK Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095567674 KK Annotated Anodyne COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(O)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1)C(=O)OC ZINC000095567686 KK Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095567687 KK Annotated Anodyne O=C(c1ccoc1)N1CCN(c2cc(-c3ccc(F)cc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000095567693 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095567719 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095567725 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CC(C)(C)CC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095567779 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095567804 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccc(O)cc2)N(CCc2ccccc2)C1=S ZINC000095567846 KK Annotated Anodyne COC[C@@H]1CCCN1c1ccc2c(c1)O[C@@H](COCc1ccccc1)CN([C@@H](C)c1ccccc1)S2(=O)=O ZINC000095567848 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(Cl)c3)C(C(=O)O)=CC[C@@H]2c2cccc(Cl)c2)cc1 ZINC000095567853 KK Annotated Anodyne CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3COC)ccc2S1(=O)=O ZINC000095567859 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4cccc(Cl)c4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc(Cl)c2)cc1 ZINC000095567860 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@H](CCO)N(C(=O)NC(C)C)C2 ZINC000095567861 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095567889 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567899 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567900 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567923 KK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095567924 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(C)o2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095567967 KK Annotated Mild Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccc(Cl)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000095567979 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000095567983 KK Annotated Anodyne CCN(CC)C(=O)C1=C(C)N(Cc2ccc(F)cc2)C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000095567984 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCc4c[nH]c5ccc(O)cc45)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095568055 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N(C(=O)NC(C)C)C2 ZINC000095568065 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095568069 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095568085 KK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095568104 KK Annotated Mild CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568121 KK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(N)c(C(=O)NCCc3c[nH]c4ccccc34)c2-c2ccc(Cl)c(F)c2)cc1 ZINC000095568126 KK Annotated Anodyne Cc1cc(C(C)(C)C)ccc1Oc1cccc2c1S(=O)(=O)N(C1CCCC1)C[C@H](COCc1ccccc1)O2 ZINC000095568130 KK Annotated Anodyne Cc1cc(C(C)(C)C)ccc1Oc1cccc2c1S(=O)(=O)N(C1CCCC1)C[C@@H](COCc1ccccc1)O2 ZINC000095568131 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095568135 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095568173 KK Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccc(C#N)cc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095568191 KK Annotated Mild COc1ccc(NC(=O)[C@H](c2ccc(C#N)cc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095568192 KK Annotated Mild Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccc(Cl)cc4)N(S(=O)(=O)c4ccccc4C)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095568208 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095568227 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568235 KK Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568236 KK Annotated Anodyne CC(C)(C)c1ccc(SC2=C[C@@]3(O)CC[C@@H](O)[C@@](Sc4ccc(C(C)(C)C)cc4)(C2=O)[C@H]3O)cc1 ZINC000095568270 KK Annotated Mild CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095568296 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095568324 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095568329 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095568330 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCCCc3ccccc3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095568333 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(CCC2=CCCCC2)C1=O ZINC000095568340 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095568345 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000095568350 KK Annotated Anodyne CCCCC[C@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3COC)ccc2S1(=O)=O ZINC000095568365 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095568367 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccc(O)cc2)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095568370 KK Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCCCCCC)[C@H](OC(=O)NCCCCCC)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095568373 KK Annotated Mild COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095568386 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095568397 KK Annotated Anodyne COc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccccc2)C(=O)C[C@@H](c2cccc4ccccc24)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095568408 KK Annotated Anodyne CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3COC)ccc2S1(=O)=O ZINC000095568416 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095568425 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095568437 KK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(N)c(C(=O)NCCc3c[nH]c4ccccc34)c2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000095568438 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCN(C(=O)c3ccco3)CC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095568439 KK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095568440 KK Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568449 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(Cl)cc4)[C@H](c4ccc(C)cc4)C[C@@H]3N2S(=O)(=O)c2ccccc2)cc1 ZINC000095568455 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@@H](CC(C)=O)N2c2ccc(C#CC3(N)CCCCC3)cc2)c1 ZINC000095568485 KK Annotated Mild COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@H](CC(C)=O)N2c2ccc(C#CC3(N)CCCCC3)cc2)c1 ZINC000095568486 KK Annotated Mild COCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095568495 KK Annotated Anodyne COCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N(C(C)C)C(C)C)=C1C ZINC000095568496 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568507 KK Annotated Anodyne CCC(=O)N1Cc2cc(C(=O)NCc3cccc(F)c3)nc(-c3cccc(C4=CCCC4)c3)c2[C@H]1CCO ZINC000095568517 KK Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)NCC2CCCCC2)[C@@H](OC(=O)NCC2CCCCC2)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000095568526 KK Annotated Mild CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@H]3COC)ccc2S1(=O)=O ZINC000095568527 KK Annotated Anodyne CN(C)C(=O)CCc1ccc2c3c([nH]c2c1)[C@]1(CCc2ccccc2)[C@@H](C(=O)N2CCCCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1CC3 ZINC000095568533 KK Annotated Anodyne Cc1cc(N2CCN([C@H](c3ccnc4ccccc34)c3nnnn3-c3c(C)cccc3C)CC2)c2ccccc2n1 ZINC000095568539 KK Annotated Anodyne Cc1cc(N2CCN([C@@H](c3ccnc4ccccc34)c3nnnn3-c3c(C)cccc3C)CC2)c2ccccc2n1 ZINC000095568540 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095568566 KK Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)O[C@@H](COCc1ccccc1)CN([C@H](C)c1ccccc1)S2(=O)=O ZINC000095568571 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4cc(CCC(=O)N(C)C)ccc34)[C@]12C ZINC000095568572 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568573 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568574 KK Annotated Anodyne COOC[C@]1(C(=O)OC)C[C@H](c2ccc(OC)cc2)N(Cc2ccccc2OC)[C@@H]1c1ccccc1C ZINC000095568577 KK Annotated Reactive COOC[C@@]1(C(=O)OC)C[C@H](c2ccc(OC)cc2)N(Cc2ccccc2OC)[C@@H]1c1ccccc1C ZINC000095568578 KK Annotated Reactive COc1ccc([C@@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095568594 KK Annotated Anodyne COc1ccc([C@H](C(=O)Nc2ccc3c(c2)OCCO3)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095568595 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095568618 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095568630 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095568634 KK Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@H](CCO)N(C(=O)NC(C)C)C2 ZINC000095568642 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCC(C)C)C2 ZINC000095568687 KK Annotated Anodyne CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@@H]1c1cccc2ccccc12 ZINC000095568708 KK Annotated Anodyne CCOC(=O)C1=C(C)N(C[C@@H]2CC[C@@H](Cc3ccc(-c4ccccc4)cc3)O2)C(=O)N[C@H]1c1cccc2ccccc12 ZINC000095568709 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095568732 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1cccc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568742 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1cccc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568743 KK Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095568763 KK Annotated Anodyne COc1ccc(NC(=O)[C@H](c2ccc(C(F)(F)F)cc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095568764 KK Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095568786 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095568792 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568796 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568797 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095568837 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095568841 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568880 KK Annotated Mild Cc1cccc(C)c1NC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568881 KK Annotated Mild C[C@@H]1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2CN(Cc2ccc([N+](=O)[O-])cc2)[C@H]1c1cn(Cc2ccccc2)c2ccc(F)cc12 ZINC000095568885 KK Annotated Bother COC(=O)[C@]12CCCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095568896 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095568928 KK Annotated Anodyne COC[C@@H]1CCCN1c1ccc2c(c1)O[C@@H](COCc1ccccc1)CN([C@H](C)c1ccccc1)S2(=O)=O ZINC000095568958 KK Annotated Anodyne Cc1ccc(-c2c(C(=O)c3ccc(Br)cc3)[nH]c(N)c2C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000095568979 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568989 KK Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1cc2ccccc2o1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095568990 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568997 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095568998 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569000 KK Annotated Anodyne CC(C)C[C@H]1CNC(=S)N1C[C@H]1CCCN1C[C@H](Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCC2)C1=S ZINC000095569001 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OCC)CCCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095569004 KK Annotated Anodyne O=C(Cc1ccccc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000095569013 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095569016 KK Annotated Anodyne O=C(O)C1=CC[C@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 ZINC000095569026 KK Annotated Anodyne O=C(O)C1=CC[C@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000095569027 KK Annotated Anodyne O=C(O)C1=CC[C@@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@@H]1c1cccc(F)c1 ZINC000095569028 KK Annotated Anodyne O=C(O)C1=CC[C@@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000095569029 KK Annotated Anodyne FC(F)(F)c1cccc(C[C@@H]2CN(Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569031 KK Annotated Anodyne FC(F)(F)c1cccc(C[C@H]2CN(Cc3ccccc3)Cc3ccccc3N2c2cc(Cl)cc(Cl)c2)c1 ZINC000095569032 KK Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)O[C@H](COCc1ccccc1)CN([C@H](C)c1ccccc1)S2(=O)=O ZINC000095569052 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569060 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccccc1OC(F)(F)F)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095569061 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569064 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569065 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccc(O)cc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569118 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095569127 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2ccccc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095569128 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CC2CCCCC2)cc1 ZINC000095569129 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3cccc(Cl)c3)C(C(=O)O)=CC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000095569134 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccc(O)cc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569135 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@H](c2ccc(Cl)c(Cl)c2)CC=C(C(=O)O)[C@@H]1c1cccc(Br)c1 ZINC000095569176 KK Annotated Anodyne Cc1ccccc1S(=O)(=O)N1[C@@H](c2cccc(Br)c2)C(C(=O)O)=CC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000095569177 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095569180 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095569183 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095569188 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095569194 KK Annotated Mild CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095569202 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NC2CCCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095569203 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccnc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569211 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccnc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569212 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569223 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](CC(C)C)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2CC(C)C)cc1 ZINC000095569224 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCCCC1)C2 ZINC000095569252 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCN(C(=O)c4ccco4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095569284 KK Annotated Anodyne O=C(NCC1CC1)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095569293 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(C)=O)N2c2ccc(C#CC3(N)CCCCC3)cc2)c1 ZINC000095569327 KK Annotated Mild COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(C)=O)N2c2ccc(C#CC3(N)CCCCC3)cc2)c1 ZINC000095569328 KK Annotated Mild COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095569337 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000095569341 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000095569342 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095569358 KK Annotated Anodyne CC(C)C[C@@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000095569359 KK Annotated Anodyne CC(C)C[C@H]1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000095569360 KK Annotated Anodyne N#Cc1cccc(N2[C@@H](Cc3cc4ccccc4n3Cc3ccccc3)COC[C@H]2Cc2ccc3ccccc3c2)c1 ZINC000095569388 KK Annotated Mild CNC1CCN([C@@H](Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3c(F)ccc(F)c3c2Cl)CC1 ZINC000095569471 KK Annotated Anodyne CNC1CCN([C@H](Cc2cccc(-c3ccncc3)c2)C(=O)c2sc3c(F)ccc(F)c3c2Cl)CC1 ZINC000095569472 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccccc3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095569474 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095569505 KK Annotated Mild CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(C)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095569508 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccc4c(c3)OCO4)C1=CCC(C)(C)C2 ZINC000095569516 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCN(C(=S)NCCc4ccccc4)CC3)ccc12 ZINC000095569518 KK Annotated Anodyne O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCN(C(=S)NCCc4ccccc4)CC3)ccc12 ZINC000095569519 KK Annotated Anodyne CCCCN1C(=O)[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095569522 KK Annotated Anodyne CCCCN1C(=O)[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)CC(C(=O)N2CCCCCC2)=C1C ZINC000095569523 KK Annotated Anodyne Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3cccc(Br)c3)nc12 ZINC000095569547 KK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569555 KK Annotated Anodyne O=C(Nc1ccc2ccccc2c1)[C@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569556 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc(Cl)c2)cc1 ZINC000095569573 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1cccc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569597 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1cccc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569598 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095569616 KK Annotated Anodyne COc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccccc2)C(=O)C[C@@H](c2cccc(Cl)c2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095569639 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095569641 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095569642 KK Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095569644 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095569653 KK Annotated Anodyne COc1ccc(-c2c(C(=O)c3ccccc3)[nH]c(N)c2C(=O)c2ccc(Br)cc2)cc1OC ZINC000095569662 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095569664 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095569679 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095569687 KK Annotated Anodyne O=C(NC1CCCCC1)[C@H](c1ccnc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569697 KK Annotated Anodyne O=C(NC1CCCCC1)[C@@H](c1ccnc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569698 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(C)o3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095569730 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095569736 KK Annotated Anodyne O=C(c1cccc(Cl)c1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1 ZINC000095569749 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569758 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C[C@@H]2Cc2ccc(O)cc2)cc1 ZINC000095569759 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)cc3)C(C(=O)O)=CC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000095569777 KK Annotated Anodyne COc1ccc(-c2ccc3[nH]c4c(c3c2)CCN2C[C@@H]([C@H](C)OC(=O)Nc3cc(Cl)cc(Cl)c3)[C@@H](N(C)C(=O)Nc3cc(Cl)cc(Cl)c3)C[C@@H]42)cc1 ZINC000095569788 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095569794 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(-c4ccc(C(N)=O)cc4)cc3[C@@H]2CC(=O)C2CC2)cc1 ZINC000095569797 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(-c4ccc(C(N)=O)cc4)cc3[C@H]2CC(=O)C2CC2)cc1 ZINC000095569798 KK Annotated Anodyne O=C(NCC1CC1)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095569799 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095569809 KK Annotated Mild CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095569816 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095569845 KK Annotated Mild COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCCCC3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095569848 KK Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)N3CCCCC3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095569849 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095569854 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000095569865 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCc2cccc3ccccc23)C(=O)N1CCC1=CCCCC1 ZINC000095569866 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095569895 KK Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccccc2F)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095569903 KK Annotated Anodyne COc1ccc(NC(=O)[C@H](c2ccccc2F)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095569904 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCc1cccc(C(F)(F)F)c1)C2 ZINC000095569907 KK Annotated Anodyne C#CCN(C[C@@H]1[C@@H](OC(=O)NCc2ccccc2F)[C@@H](OC(=O)NCc2ccccc2F)CN(C(=O)OC(C)C)N1C(=O)OC(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000095569908 KK Annotated Mild Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccccc2Br)c1C(=O)NCc1ccc(-c2ccccc2)cc1 ZINC000095569917 KK Annotated Anodyne N#Cc1ccc([C@H](C(=O)NCc2ccccc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095569935 KK Annotated Mild N#Cc1ccc([C@@H](C(=O)NCc2ccccc2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095569936 KK Annotated Mild Cc1cccc(C)c1NC(=O)[C@@H](c1ccnc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569966 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccnc2ccccc12)n1c(=O)c(-c2ccco2)nc2ccccc21 ZINC000095569967 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569984 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095569985 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000095569992 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O ZINC000095569993 KK Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2cc3ccccc3o2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095570002 KK Annotated Anodyne COc1ccc(NC(=O)[C@H](c2cc3ccccc3o2)n2c(=O)c(-c3cc4ccccc4[nH]3)nc3ccccc32)cc1 ZINC000095570003 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095570041 KK Annotated Mild COC(=O)[C@]12CCCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570082 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570109 KK Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570110 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095570113 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000095570135 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(=O)c3ccco3)N2c2ccc(-c3cnc(OC)nc3)cc2)c1 ZINC000095570211 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(=O)c3ccco3)N2c2ccc(-c3cnc(OC)nc3)cc2)c1 ZINC000095570212 KK Annotated Anodyne COC[C@@H]1CCCN1c1ccc2c(c1)O[C@H](COCc1ccccc1)CN([C@H](C)c1ccccc1)S2(=O)=O ZINC000095570217 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2cccc4ccccc24)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095570234 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095570245 KK Annotated Anodyne CC(C)(C)OC(=O)C1=CC[C@@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1 ZINC000095570265 KK Annotated Anodyne CCCCC[C@@H](C)N1C[C@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3COC)ccc2S1(=O)=O ZINC000095570274 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000095570279 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000095570280 KK Annotated Anodyne O=C(C[C@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000095570281 KK Annotated Anodyne O=C(C[C@@H]1C[C@H](C(=O)N2CCOCC2)[C@@]2(CCC3CCCC3)c3[nH]c4ccccc4c3CCN2C1=O)NCc1cccc(C(F)(F)F)c1 ZINC000095570282 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095570286 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095570295 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2ccc(OC)c(OC)c2)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095570298 KK Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095570299 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095570326 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570329 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](Cc2ccccc2)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CC1CCCCC1 ZINC000095570330 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095570334 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCCCc3ccccc3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095570346 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000095570369 KK Annotated Anodyne CC(C)C[C@@H](CN1CCC[C@H]1CN1C(=S)NC[C@@H]1Cc1ccccc1)N1C[C@H](Cc2ccccc2)N(CC2CCCCCC2)C1=S ZINC000095570370 KK Annotated Anodyne O=C(NCC(F)(F)F)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095570387 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570388 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570389 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccc(Cl)cc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000095570407 KK Annotated Anodyne N#Cc1ccc2[nH]cc([C@@H]3c4cc(F)ccc4C=C(c4ccsc4)N3c3ccc(C#CCCO)cc3)c2c1 ZINC000095570408 KK Annotated Mild N#Cc1ccc2[nH]cc([C@H]3c4cc(F)ccc4C=C(c4ccsc4)N3c3ccc(C#CCCO)cc3)c2c1 ZINC000095570409 KK Annotated Mild COc1cccc(-c2cc3nc(-c4cccc(C(F)(F)F)c4)cc(N4CCN(C(=O)c5ccoc5)CC4)n3n2)c1 ZINC000095570419 KK Annotated Anodyne CCCCC[C@@H](C)N1C[C@@H](COCc2ccccc2)Oc2cc(N3CCC[C@@H]3COC)ccc2S1(=O)=O ZINC000095570438 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N(S(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000095570440 KK Annotated Bother COC[C@@H]1CCCN1c1ccc2c(c1)O[C@H](COCc1ccccc1)CN([C@@H](C)c1ccccc1)S2(=O)=O ZINC000095570444 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(CC)cc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000095570480 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570482 KK Annotated Anodyne O=C(Nc1ccc2c(c1)OCCO2)[C@@H](c1ccccc1F)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570483 KK Annotated Anodyne Cc1ccccc1-c1cc(C(=O)NCc2cccc(Br)c2)nn1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000095570488 KK Annotated Bother Cc1ccccc1-c1cc(C(=O)NCc2cccc(Br)c2)nn1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000095570489 KK Annotated Bother CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095570490 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccccc2Cl)[C@H](c2ccccc2)C1 ZINC000095570495 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccnc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570500 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccnc2ccccc12)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570501 KK Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCc2ccccc2)[C@H](OC(=O)NCc2ccccc2)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095570512 KK Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccs3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095570518 KK Annotated Anodyne COc1ccc(NC(=S)N2CCN(c3ccc4c(c3)[C@H]3CCN(C(=O)OCc5ccccc5)[C@@H]4C3)CC2)c(OC)c1 ZINC000095570534 KK Annotated Clean COc1ccc(NC(=S)N2CCN(c3ccc4c(c3)[C@@H]3CCN(C(=O)OCc5ccccc5)[C@H]4C3)CC2)c(OC)c1 ZINC000095570535 KK Annotated Clean CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095570536 KK Annotated Mild CCCCCCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095570540 KK Annotated Mild CC(C)(O)C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@H]2c2c[nH]c3ccc(C#N)cc23)cc1 ZINC000095570553 KK Annotated Mild CC(C)(O)C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@@H]2c2c[nH]c3ccc(C#N)cc23)cc1 ZINC000095570554 KK Annotated Mild COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570568 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccs1)C2 ZINC000095570598 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095570610 KK Annotated Anodyne FC(F)(F)Oc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095570615 KK Annotated Anodyne FC(F)(F)Oc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000095570616 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570630 KK Annotated Anodyne Oc1ccc(C[C@H]2CN([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=S)NC[C@@H]3Cc3ccccc3)C(=S)N2CCc2ccccc2)cc1 ZINC000095570631 KK Annotated Anodyne O=C(NCC(F)(F)F)c1cc2c(c(-c3cccc(-c4ccccc4F)c3)n1)[C@@H](CCO)N(C(=O)CC1CC1)C2 ZINC000095570636 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095570658 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570663 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095570667 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@H](c1ccnc2ccccc12)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095570682 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)[C@@H](c1ccnc2ccccc12)N1CCN(c2cccc(C(F)(F)F)n2)CC1 ZINC000095570683 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CCc1ccccc1 ZINC000095570689 KK Annotated Anodyne CC(C)C[C@H]1CN([C@@H](CC(C)C)CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)C(=S)N1CCc1ccccc1 ZINC000095570690 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3ccccc3)C1=CCC(C)(C)C2 ZINC000095570694 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4cccc5ccccc45)C[C@@H]3N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000095570696 KK Annotated Anodyne Cn1cncc1C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@H]2c2c[nH]c3ccccc23)cc1 ZINC000095570697 KK Annotated Mild Cn1cncc1C#Cc1ccc(N2C(c3ccsc3)=Cc3ccc(F)cc3[C@@H]2c2c[nH]c3ccccc23)cc1 ZINC000095570698 KK Annotated Mild CC(C)c1ccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)Nc5ccc(F)c(F)c5)cc4C(=O)N3C)O2)cc1 ZINC000095570711 KK Annotated Anodyne C[C@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br)c1cccc2ccccc12 ZINC000095570724 KK Annotated Anodyne C[C@@H](NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br)c1cccc2ccccc12 ZINC000095570725 KK Annotated Anodyne c1ccc(CN(Cc2ccccc2)[C@@H](c2ccnc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095570734 KK Annotated Anodyne c1ccc(CN(Cc2ccccc2)[C@H](c2ccnc3ccccc23)c2nnnn2-c2ccc3c(c2)OCCO3)cc1 ZINC000095570735 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095570761 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570765 KK Annotated Anodyne Cc1cccc(C)c1NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095570766 KK Annotated Anodyne CCOc1ccccc1CN1[C@@H](c2ccc(OC)cc2)CC(C(=O)OC)(C(=O)OC)[C@H]1c1ccccc1 ZINC000095570768 KK Annotated Anodyne COc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)c(O)c1 ZINC000095570778 KK Annotated Clean COc1ccc(CN2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)c(O)c1 ZINC000095570779 KK Annotated Clean COC(=O)[C@@]12C[C@@H](CC(=O)NCc3ccc(OC)c(OC)c3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095570807 KK Annotated Anodyne CCCCOCCCNC(=O)C[C@@H]1C[C@@]2(C(=O)OC)CCCCC=C2N(Cc2cccc3ccccc23)C1=O ZINC000095570810 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095570821 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccccc1)C2 ZINC000095570829 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095570854 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCC(c3ccccc3)CC2)C[C@@]2(C(=O)OC)CCCCC=C12 ZINC000095570860 KK Annotated Mild CCc1cc(-c2nnn(-c3cc(C(C)C)ccc3C)c2CC)ccc1-c1cn(CCc2c[nH]c3ccccc23)nn1 ZINC000095570862 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095570885 KK Annotated Anodyne CCOC(=O)[C@]12CCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCC1CCCCC1)C2 ZINC000095570906 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 ZINC000095570907 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 ZINC000095570908 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4cccc(Cl)c4)[C@@H]3C[C@@H]2c2ccccc2)cc1 ZINC000095570912 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4cccc(Cl)c4)[C@@H]3C[C@@H]2c2ccccc2)cc1 ZINC000095570913 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095570931 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)N3CCC(c4ccccc4)CC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095570932 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095570944 KK Annotated Mild CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccccc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095570982 KK Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095570988 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095571033 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095571041 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095571070 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(Cc3ccco3)C1=CCC(C)(C)C2 ZINC000095571090 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095571105 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)cc3)CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4C)[C@H](c4ccc(Cl)cc4)C[C@@H]32)cc1 ZINC000095571107 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](O)C[C@@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095571109 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H]3[C@H](CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](O)C[C@@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095571110 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCC(C)C)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095571118 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OCC)CCCC=C12 ZINC000095571119 KK Annotated Mild COc1cccc(C2=Cc3ccc(F)cc3[C@@H](CC(C)=O)N2c2ccc(C#CC3(O)CCCCC3)cc2)c1 ZINC000095571137 KK Annotated Mild COc1cccc(C2=Cc3ccc(F)cc3[C@H](CC(C)=O)N2c2ccc(C#CC3(O)CCCCC3)cc2)c1 ZINC000095571138 KK Annotated Mild CCOC1=C2CN(S(=O)(=O)c3ccc(Cl)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000095571142 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(F)cc2)[C@H]2c3cc(C(=O)N(C)C)n(CCCNc4ncc(C(F)(F)F)cc4Cl)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095571150 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cccc(OC)c3)=Cc3ccc(F)cc3[C@H]2c2c(C)[nH]c3ccccc23)cc1 ZINC000095571157 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cccc(OC)c3)=Cc3ccc(F)cc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1 ZINC000095571158 KK Annotated Anodyne COC(=O)[C@@]1(Cc2ccc(OC)cc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccccc4)c3C[C@H]2CN1C(=O)c1ccccc1 ZINC000095571188 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccs2)cc1 ZINC000095571192 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095571208 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095571209 KK Annotated Anodyne COc1ccc(-c2ccc(CN3[C@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1OC ZINC000095571227 KK Annotated Anodyne COc1ccc(-c2ccc(CN3[C@@H](CC(C)C)C(=O)N(Cc4cn(CC5CCCCC5)nn4)CCS3(=O)=O)cc2)cc1OC ZINC000095571228 KK Annotated Anodyne COc1ccccc1CCNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Br)cc1 ZINC000095571231 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095571249 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095571254 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)NCc1cccc3ccccc13)C2 ZINC000095571271 KK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Br)c3)nc3cc(C)c(Br)c(C)n23)c(C)c1 ZINC000095571304 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095571333 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCc1ccc(OC)c(OC)c1)C(=O)[C@H](CC(=O)NCCCCc1ccccc1)C2 ZINC000095571346 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccc(Cl)cc4)N(S(=O)(=O)c4ccccc4C)[C@H]3C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000095571349 KK Annotated Anodyne COc1ccc(-c2ccc(N3C(c4cc(OC)cc(OC)c4)=Cc4ccc(OC)cc4[C@H]3CC(C)=O)cc2)cc1 ZINC000095571351 KK Annotated Anodyne COc1ccc(-c2ccc(N3C(c4cc(OC)cc(OC)c4)=Cc4ccc(OC)cc4[C@@H]3CC(C)=O)cc2)cc1 ZINC000095571352 KK Annotated Anodyne CCc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccc(Cl)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095571357 KK Annotated Anodyne Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(Cl)cc2)C(=O)C[C@@H](c2ccccc2F)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095571369 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1cccc3ccccc13)C(=O)[C@H](CC(=O)NCc1ccc(OC)c(OC)c1)C2 ZINC000095571376 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCCc1ccccc1OC)C2 ZINC000095571392 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095571405 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095571432 KK Annotated Anodyne COc1ccc(NC(=O)[C@@H](c2ccc(C(F)(F)F)cc2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095571504 KK Annotated Anodyne COc1ccc(NC(=O)[C@H](c2ccc(C(F)(F)F)cc2)n2c(=O)c(-c3ccco3)nc3ccccc32)cc1 ZINC000095571505 KK Annotated Anodyne COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)NCc1ccc(C)o1)C2 ZINC000095571519 KK Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCc2ccccc2F)[C@H](OC(=O)NCc2ccccc2F)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095571521 KK Annotated Mild COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc(C(F)(F)F)c3)C(=O)N(CCc3ccc(OC)c(OC)c3)C1=CCC(C)(C)C2 ZINC000095571523 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCCc3ccccc3OC)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095571531 KK Annotated Anodyne CCCCNC(=O)c1nc(C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)oc1-c1cccc(C(F)(F)F)c1 ZINC000095571535 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095571536 KK Annotated Anodyne O=C(NCc1ccccc1)[C@H](c1ccc(C(F)(F)F)cc1)n1c(=O)c(-c2cc3ccccc3[nH]2)nc2ccccc21 ZINC000095571537 KK Annotated Anodyne O=C(c1cccc(Cn2cccn2)c1)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1 ZINC000095571541 KK Annotated Anodyne O=C(c1cccc(Cn2cccn2)c1)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1 ZINC000095571542 KK Annotated Anodyne CC(C)C[C@@H](COCc1cccc(C(F)(F)F)c1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CCC1=O ZINC000095571555 KK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C(C)C ZINC000095571581 KK Annotated Bother NC(=O)C1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000095571638 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095571654 KK Annotated Anodyne FC(F)(F)Oc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095571656 KK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(OC(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095571657 KK Annotated Bother COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Br)cc3)c-2c/c1=N\C(C)C ZINC000095571666 KK Annotated Bother CCCC(C)(C)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095571676 KK Annotated Anodyne C[C@H]1C[C@]2(CCN1Cc1cccc(-c3ccccc3Cl)c1)CNS(=O)(=O)N2c1cccc(F)c1 ZINC000095571758 KK Annotated Anodyne CN1CCC(/N=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095571761 KK Annotated Bother CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)C5CC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095571762 KK Annotated Anodyne CC(C)(C)OC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000095571778 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@H](CC3CCOCC3)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095571782 KK Annotated Anodyne CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)CN(c2nccs2)S(=O)(=O)N3c2cccc(F)c2)c1 ZINC000095571812 KK Annotated Anodyne O=C(N[C@@H]1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095571902 KK Annotated Anodyne O=C(N[C@H]1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095571903 KK Annotated Anodyne COc1cc(-c2c(C(=O)OCCCn3cnc4c(Cl)ncnc43)c(C=O)cc3cc4c(cc23)OCO4)cc(OC)c1OC ZINC000095571932 KK Annotated Anodyne CN(CCCCCCCCNc1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23)Cc1ccccc1 ZINC000095571946 KK Annotated Bother CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095571950 KK Annotated Anodyne O=c1c2c(Nc3ccc(Cl)cc3)nn(-c3ccc([N+](=O)[O-])cc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000095571962 KK Annotated Bother C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)C[C@@H](C)O1 ZINC000095572034 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@@H](CC(C)C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095572101 KK Annotated Anodyne Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc6ncccc6c5)n(C)c4c3)ccc21 ZINC000095572106 KK Annotated Anodyne CC(C)(C)NC(=O)COC(=O)c1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1 ZINC000095572174 KK Annotated Bother O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000095572208 KK Annotated Anodyne COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)nc1 ZINC000095572210 KK Annotated Anodyne CCC[C@@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095572233 KK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095572241 KK Annotated Bother Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095572257 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(Cl)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095572261 KK Annotated Anodyne CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000095572282 KK Annotated Anodyne CCN(CC)CCOc1ccccc1Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1 ZINC000095572301 KK Annotated Anodyne C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)C(C)=O)[C@@H]4CC[C@@H]3C2)OO1 ZINC000095572304 KK Annotated Reactive FC(F)(F)c1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095572339 KK Annotated Bother CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(Cc6ncc[nH]6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095572386 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCC(=O)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095572440 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@@H](CN(C)C)OCCN(C)C)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095572508 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(COCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095572512 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(COCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095572513 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(COCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095572514 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@](C)(COCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095572515 KK Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1C#Cc1ccnc(C)c1 ZINC000095572528 KK Annotated Mild COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1C#Cc1ccnc(C)c1 ZINC000095572529 KK Annotated Mild CCCNCC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCCCCCCn1cnc2c(Cl)ncnc21)OCO3 ZINC000095572531 KK Annotated Anodyne CCCC(=O)OC[C@H]1O[C@@H](Oc2cc(OC)cc(OC(=O)CCC)c2C(=O)c2ccc(OC(=O)CCC)cc2)[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]1OC(=O)CCC ZINC000095572622 KK Annotated Anodyne CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)CN(c2ccncc2)S(=O)(=O)N3c2cccc(F)c2)c1 ZINC000095572686 KK Annotated Anodyne Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl ZINC000095572876 KK Annotated Anodyne Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(C(F)(F)F)cc4)c-3c/c2=N\C2CCOCC2)cn1 ZINC000095572900 KK Annotated Bother CC(C)CCN(Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)O)c1)c1ccc(C(F)(F)F)cc1 ZINC000095572936 KK Annotated Anodyne CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1cn(CCCCO)c2cc(Sc3ccccc3)ccc2c1=O ZINC000095572942 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CCC[C@H](C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000095572949 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CCC[C@H](C(F)(F)F)N2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000095572951 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(Oc2cc(F)cc(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095572974 KK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(Oc2cc(F)cc(C(F)(F)F)c2)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095572975 KK Annotated Mild COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(N(CC3CC3)CC3CC3)ccc2Cl)ccc1-n1cnc(C)c1 ZINC000095572987 KK Annotated Anodyne O=C(N[C@@H]1CCOC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095572996 KK Annotated Anodyne O=C(N[C@@H]1CCOC1)N[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095573013 KK Annotated Anodyne O=C(N[C@@H]1CCC(F)(F)C1)N[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095573033 KK Annotated Anodyne O=C(N[C@H]1CCC(F)(F)C1)N[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095573034 KK Annotated Anodyne CC(C)(S)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1 ZINC000095573132 KK Annotated Reactive NS(=O)(=O)c1ccc(-n2nc(Nc3ccc(Cl)cc3)c3c(=O)n(-c4ccccc4)c(Nc4ccccc4)nc32)cc1 ZINC000095573156 KK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(C(F)(F)F)cc3)c-2c/c1=N\C1CCC(OC)CC1 ZINC000095573258 KK Annotated Bother Cc1cn([C@H]2CCCN([C@H](CC34CC5CC(CC(C5)C3)C4)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O ZINC000095573309 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCSCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095573319 KK Annotated Anodyne COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)O)cc5)CCC4)cc3n2C)cn1 ZINC000095573362 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(C)=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095573375 KK Annotated Anodyne CC(C)CN1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095573418 KK Annotated Bother COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Cl)cc3)c-2c/c1=N\C1CCC(OC)CC1 ZINC000095573459 KK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(Br)cc4)c4ccccc4nc-3cc2Nc2cccnc2C)CC1 ZINC000095573462 KK Annotated Bother Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(F)(F)F)s1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095573487 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCBr)OCO4)cc(OC)c1OC ZINC000095573508 KK Annotated Reactive CN(CCCCCCCCNc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)Cc1ccccc1 ZINC000095573515 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(CCc2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095573527 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(CCc2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095573528 KK Annotated Anodyne CN(CCCCCCCCN(C)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)Cc1ccccc1 ZINC000095573564 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095573639 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)N(C)C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095573647 KK Annotated Anodyne CN(C)CCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])c(Sc3c(Cl)cncc3Cl)s2)cc1 ZINC000095573778 KK Annotated Bother CC(C)CN1CCC(/N=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095573821 KK Annotated Bother COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Br)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095573879 KK Annotated Bother Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5cocn5)n(C)c4c3)ccc21 ZINC000095573942 KK Annotated Anodyne CCC(=O)NCC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095573950 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095573990 KK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCC(OC)CC1 ZINC000095574003 KK Annotated Bother Cc1cn([C@H]2CCCN([C@@H](CC(C)(C)C)c3ccc(C(=O)O)c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O ZINC000095574020 KK Annotated Anodyne COC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1 ZINC000095574051 KK Annotated Bother Cn1cc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc2cn(C)c3ccc(Br)cc23)=N/O)c2cc(Br)ccc21 ZINC000095574052 KK Annotated Reactive O=C(C[C@@H]1C/C=C/C[C@H](Cc2ccccc2)C(=O)N[C@H](c2ccccc2)COC1=O)NCc1ccc(Cl)cc1 ZINC000095574077 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@@](C)(COCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095574083 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@@](C)(COCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 ZINC000095574084 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@@](C)(COCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095574085 KK Annotated Anodyne Cc1c(C)c2c(c(C)c1OCC(=O)O)CC[C@@](C)(COCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 ZINC000095574086 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)CC6CC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095574102 KK Annotated Anodyne O=C(NC1CCC(F)(F)CC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095574134 KK Annotated Anodyne CC(C)(C#N)c1cccc(C(=O)Nc2ccc(F)c(C(=O)Nc3cnc4[nH]nc(C5CC5)c4c3)c2F)c1 ZINC000095574136 KK Annotated Mild O=C(N[C@H]1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 ZINC000095574157 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H]2CC[C@H](C(F)(F)F)N(c3cc(F)cc(C(F)(F)F)c3)C2)c1 ZINC000095574234 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CC[C@H](C(F)(F)F)N(c3cc(F)cc(C(F)(F)F)c3)C2)c1 ZINC000095574236 KK Annotated Mild CCCNCC1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1ccc(Cn2cnc4c(Cl)ncnc42)cc1)OCO3 ZINC000095574243 KK Annotated Anodyne CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1 ZINC000095574277 KK Annotated Reactive CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)Cc4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c([C@@H](C)OCc1cccc(I)c1)c4C)c(C)c3CCC(=O)O ZINC000095574285 KK Annotated Bother CSSCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H]6C[C@@]67C5=CC(=O)c5ccccc57)cc4c3)cc2c1 ZINC000095574402 KK Annotated Reactive C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)cccc3n2)C[C@@H](C)O1 ZINC000095574406 KK Annotated Anodyne O=c1c2c(Nc3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000095574408 KK Annotated Bother CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(SC)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095574434 KK Annotated Anodyne O=C(NCCCSSCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O ZINC000095574486 KK Annotated Reactive Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(C(F)(F)F)cn5)n(C)c4c3)ccc21 ZINC000095574511 KK Annotated Anodyne O=C(NCCCCCSSCCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O ZINC000095574551 KK Annotated Reactive Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000095574552 KK Annotated Anodyne COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)CNCc3ccccc3)c(Cl)c2)cc1 ZINC000095574599 KK Annotated Mild COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@@H]4CCCCO4)c(OC)nn23)c(OC)c1 ZINC000095574603 KK Annotated Anodyne COCc1cc(OC)c(-c2csc3c(N(CC4CC4)C[C@H]4CCCCO4)c(OC)nn23)c(OC)c1 ZINC000095574604 KK Annotated Anodyne O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2c(Br)cccc12)=N/O)/C(Cc1c[nH]c2c(Br)cccc12)=N/O ZINC000095574666 KK Annotated Reactive CC(=O)N1CCN(C(=O)C2=C(C(C)C)N3C(=N[C@@H](c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)CC1 ZINC000095574714 KK Annotated Anodyne COc1cc(-c2cn([C@@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1Oc1cccnc1 ZINC000095574797 KK Annotated Anodyne COc1cc(-c2cn([C@H]3CCc4c(F)cccc4N(CC(F)(F)F)C3=O)nn2)ccc1Oc1cccnc1 ZINC000095574798 KK Annotated Anodyne CC(C)C1=C(C(=O)N2C[C@H](C)N[C@H](C)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095574838 KK Annotated Anodyne COc1cc([C@H]2CN(C(C)=O)C[C@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000095574841 KK Annotated Anodyne COc1cc([C@@H]2CN(C(C)=O)C[C@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000095574842 KK Annotated Anodyne COc1cc([C@H]2CN(C(C)=O)C[C@@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000095574843 KK Annotated Anodyne COc1cc([C@@H]2CN(C(C)=O)C[C@@]3(CCCN([C@@H](C)c4ccc(F)cc4)C3=O)C2)ccc1-n1cnc(C)c1 ZINC000095574844 KK Annotated Anodyne Brc1cc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)[nH]c1Br ZINC000095574845 KK Annotated Anodyne COC(=O)[C@H]1CN(CCSc2sccc2P(=O)(OC(C)C)OC(C)C)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12 ZINC000095574977 KK Annotated Anodyne CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1 ZINC000095574982 KK Annotated Reactive N#Cc1cc(Cl)cc(Oc2c(Cl)ccc(CNC(=O)c3ccc(S(N)(=O)=O)cc3Cl)c2F)c1 ZINC000095574995 KK Annotated Mild CN(C)CCN1CCN(c2c3cc(-c4ccc(CCN5CCOCC5)cc4)ccc3nc3c2[nH]c2ccccc23)CC1 ZINC000095574998 KK Annotated Bother Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(F)cn5)n(C)c4c3)ccc21 ZINC000095575039 KK Annotated Anodyne CCN(CC)CCOc1cccc(Nc2nc(C)cc(-c3ccc(OCCC4CCCCC4)cc3)n2)c1 ZINC000095575065 KK Annotated Anodyne COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(Cl)c(NC(=O)CNCc3ccccc3)c(Cl)c2)cc1 ZINC000095575084 KK Annotated Mild CCCCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095575127 KK Annotated Anodyne NC[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@@H](C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000095575186 KK Annotated Anodyne NC[C@H]1CCCN(C(=O)c2ccc3c(c2)[C@H](C(=O)NC2CCN(C/C4=C/CCCCCCC4)CC2)c2ccccc2O3)C1 ZINC000095575187 KK Annotated Anodyne COC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2C)CC1 ZINC000095575203 KK Annotated Bother Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCCCCCNc3oc4c(C)ncc(CO)c4c3Nc3ccccn3)oc12 ZINC000095575211 KK Annotated Anodyne COC1CCC(/N=c2\cc3n(-c4ccc(Br)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095575214 KK Annotated Bother COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCn2cnc3ncnc(Cl)c32)OCO4)cc(OC)c1OC ZINC000095575322 KK Annotated Reactive CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)c6ccno6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095575345 KK Annotated Anodyne CC(C)CCN(Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)O)c1)Cc1ccc(F)c(F)c1 ZINC000095575371 KK Annotated Anodyne O=C(N[C@@H]1CCCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095575437 KK Annotated Anodyne O=C(N[C@H]1CCCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095575438 KK Annotated Anodyne COCCN1CCO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(C)=O)C(C)(C)O)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)C1 ZINC000095575460 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(F)(F)F)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095575481 KK Annotated Anodyne COC1CCC(/N=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1 ZINC000095575641 KK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cncc(Br)c2)CC1 ZINC000095575693 KK Annotated Bother Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)O)cc4)CCC3)cc21 ZINC000095575697 KK Annotated Anodyne CN1CCC(/N=c2\cc3n(-c4ccc(OC(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095575716 KK Annotated Bother Clc1ccc(-n2c3c/c(=N\CCN4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095575745 KK Annotated Bother CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)cs1 ZINC000095575810 KK Annotated Anodyne Brc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095575825 KK Annotated Bother Cc1ccc(Nc2cc3nc4ccccc4n(-c4ccc(Br)cc4)c-3c/c2=N\C2CCOCC2)cn1 ZINC000095575852 KK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(Br)cc4)c4ccccc4nc-3cc2Nc2ccc(C)nc2)CC1 ZINC000095575867 KK Annotated Bother CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)CC(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095575874 KK Annotated Anodyne Cc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(C(F)(F)F)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095575893 KK Annotated Bother CCC(=O)N[C@H]1C[C@@H](c2cccc(F)c2)[C@]2(c3ccc(Br)cc3)Oc3cc(OC)cc(OC)c3[C@]12O ZINC000095575938 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCn2cnc3c(Cl)ncnc32)OCO4)cc(OC)c1OC ZINC000095575944 KK Annotated Reactive O=C(NC1CCCCC1)N[C@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095576049 KK Annotated Anodyne COc1cc2c(c(-c3cc(O)c4c(O)c5oc6c(C(=O)O)cc(C)cc6c(=O)c5c(O)c4c3OC)c1)C[C@H](C)OC2=O ZINC000095576059 KK Annotated Bother COc1cc2c(c(-c3cc(O)c4c(O)c5oc6c(C(=O)O)cc(C)cc6c(=O)c5c(O)c4c3OC)c1)C[C@@H](C)OC2=O ZINC000095576060 KK Annotated Bother CN(CCCCCN(C)c1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)Cc1ccccc1 ZINC000095576063 KK Annotated Anodyne CC(C)CCN1C[C@@H](c2cc(-c3ccc(C(F)(F)F)cc3)cc([C@@H](CC(C)C)C(=O)O)c2)CC[C@@H]1C(F)(F)F ZINC000095576065 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCc2ccc(Cn3cnc5c(Cl)ncnc53)cc2)OCO4)cc(OC)c1OC ZINC000095576072 KK Annotated Reactive COc1cc2c(C)[n+]3ccc4c(OC)c(OC)ccc4c3cc2c(-c2ccc(-c3ccccc3)cc2)c1OC ZINC000095576122 KK Annotated Bother CSSC(C)(C)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 ZINC000095576184 KK Annotated Reactive Cn1c(-c2ccc(Cl)cn2)c(C2CCCC2)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)O)cc3)cc21 ZINC000095576305 KK Annotated Anodyne Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)Cn1c(C)nc2ccccc21)c1cccc(F)c1 ZINC000095576314 KK Annotated Anodyne Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)Cn1c(C)nc2ccccc21)c1cccc(F)c1 ZINC000095576315 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCN(C)C13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095576397 KK Annotated Anodyne COC(=O)c1cccc(CNc2ccc(NC(=O)Nc3ccc(NC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)cc3)cc2)c1 ZINC000095576415 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCN(C)C13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095576440 KK Annotated Anodyne Cn1c(-c2ccccn2)c(C2CCCC2)c2ccc(C(=O)NC(C)(C)C(=O)Nc3ccc(/C=C/C(=O)O)cc3)cc21 ZINC000095576491 KK Annotated Anodyne CC(=O)Nc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)cs1 ZINC000095576517 KK Annotated Anodyne O=C(Cc1ccc(C(F)(F)F)cc1)NC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000095576523 KK Annotated Mild CCC(C)(CC)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095576531 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)c6cn(C)cn6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095576543 KK Annotated Anodyne COc1nc(-c2nc3n(n2)CCC[C@@H]3c2cc(N(CC3CC3)CC(F)(F)F)ccc2Cl)ccc1-n1cnc(C)c1 ZINC000095576553 KK Annotated Anodyne O=C(N[C@@H]1CCC(F)(F)C1)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 ZINC000095576596 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CCOCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095576610 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095576618 KK Annotated Mild CC(C)C[C@H](C(=O)O)c1cc(OCc2ccc(F)cc2C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095576635 KK Annotated Mild CC(C)C[C@@H](C(=O)O)c1cc(OCc2ccc(F)cc2C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095576636 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095576662 KK Annotated Anodyne O=C(N[C@@H]1CCCCC1(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095576701 KK Annotated Anodyne O=C(N[C@H]1CCCCC1(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095576702 KK Annotated Anodyne O=c1c2c(Nc3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000095576782 KK Annotated Bother COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CCCCCCc1cc(C)nc(/C=N/O)c1O)CC2 ZINC000095576864 KK Annotated Mild COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CCCCCCc1cc(C)nc(/C=N/O)c1O)CC2 ZINC000095576865 KK Annotated Mild Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095576881 KK Annotated Mild COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(Br)cc3)c-2c/c1=N\C1CCC(OC)CC1 ZINC000095576930 KK Annotated Bother C(=C/c1cc(-c2ccccc2)c(/C=C/c2ccc(N3CCOCC3)cc2)nn1)\c1ccc(N2CCOCC2)cc1 ZINC000095576932 KK Annotated Clean O=C(NCCCCSSCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O ZINC000095577010 KK Annotated Reactive COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)n1 ZINC000095577015 KK Annotated Anodyne FC(F)(F)c1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095577034 KK Annotated Bother COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(C(F)(F)F)cc3)c-2c/c1=N\C(C)C ZINC000095577111 KK Annotated Bother CN(CCCCCCCCN(C)c1cc2nc(-c3ccccc3)nn3c4ccccc4c(c1=O)c23)Cc1ccccc1 ZINC000095577158 KK Annotated Bother CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CC(C)(C)O)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095577175 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC(C(=O)N(C)C)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095577201 KK Annotated Anodyne O=C(NCCC(F)(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 ZINC000095577223 KK Annotated Mild Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5cccc(N)n5)n(C)c4c3)ccc21 ZINC000095577447 KK Annotated Anodyne CC(C)CN1CCC(/N=c2\cc3n(-c4ccc(OC(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095577449 KK Annotated Bother CC(C)Oc1cccc(CN2CC[C@@]3(C[C@@H]2C)CN(c2cccnc2)S(=O)(=O)N3c2cccc(F)c2)c1 ZINC000095577473 KK Annotated Anodyne Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)n1 ZINC000095577476 KK Annotated Anodyne CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC/C1=N\OCC(=O)NCCOCCOCCNC(=O)[C@H](CC(C)C)NC(=O)CCCc1ccccc1 ZINC000095577506 KK Annotated Mild C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)C(C)=O)[C@@H]4CC[C@@H]3C2)OO1 ZINC000095577535 KK Annotated Reactive COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCN(C)C13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095577580 KK Annotated Anodyne COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(C(F)(F)F)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095577610 KK Annotated Bother Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5nccs5)n(C)c4c3)ccc21 ZINC000095577612 KK Annotated Anodyne Cn1c(-c2ccccn2)c(C2CCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)O)cc4)CCCC3)cc21 ZINC000095577639 KK Annotated Anodyne CCN(CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(OCCC4CCCCC4)cc3)n2)cc1 ZINC000095577684 KK Annotated Anodyne COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCc2ccc(CBr)cc2)OCO4)cc(OC)c1OC ZINC000095577723 KK Annotated Reactive CC(C)(C(=O)NCc1ccc(-c2ccc(F)c(C(F)(F)F)c2)cc1)c1ccc(-c2ccc3cccnc3n2)cc1 ZINC000095577762 KK Annotated Anodyne C[C@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)ccnc3c2)C[C@@H](C)O1 ZINC000095577835 KK Annotated Anodyne Cc1ccc(Nc2nn(-c3ccc([N+](=O)[O-])cc3)c3nc(Nc4ccccc4)n(-c4ccccc4)c(=O)c23)cc1 ZINC000095577888 KK Annotated Bother O=C(Oc1coc(CSc2ccc(OC(F)(F)F)cc2)cc1=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000095577896 KK Annotated Bother COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCC(=O)NC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095577954 KK Annotated Anodyne C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)C(C)=O)[C@@H]4CC[C@@H]3C2)OO1 ZINC000095577983 KK Annotated Reactive COC1CCC(/N=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2C)CC1 ZINC000095578003 KK Annotated Bother Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5csc(N)n5)n(C)c4c3)ccc21 ZINC000095578025 KK Annotated Anodyne C#C[C@@H](O)/C=C/CCCCCCC#C[C@H](O)C#C/C=C/CC/C=C\CCCC/C=C\CCCCCCCCCCCCC/C=C/[C@@H](O)C#C ZINC000095578032 KK Annotated Mild Cn1cc(CCC(=O)NCCSSCCNC(=O)CCc2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21 ZINC000095578124 KK Annotated Reactive CO/N=C(\Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OC ZINC000095578125 KK Annotated Reactive COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095578138 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@H](CC3CCCCC3)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095578144 KK Annotated Anodyne CC(C)CN1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095578145 KK Annotated Bother O=C(Cc1ccc(C(F)(F)F)cc1)NC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC000095578146 KK Annotated Mild C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)C(C)=O)[C@@H]4CC[C@@H]3C2)OO1 ZINC000095578182 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(=O)N1CC3=C(CC(C)(C)CC3=O)Nc3ccccc31)C2 ZINC000095578208 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(CCN6CCCC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095578264 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C(=O)C6(C)COC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095578306 KK Annotated Anodyne O=C(NCC(F)(F)C(F)(F)F)N[C@@](Cc1ccccc1)(c1cc(F)cc(OC(F)(F)C(F)F)c1)c1ccc(Cl)cn1 ZINC000095578313 KK Annotated Mild COc1cc2cc3c4cc(-c5ccc(-c6ccccc6)cc5)c(OC)c(OC)c4cc[n+]3c(C(C)C)c2cc1OC ZINC000095578358 KK Annotated Bother CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)cs1 ZINC000095578541 KK Annotated Anodyne Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5ccc(Cl)cn5)n(C)c4c3)ccc21 ZINC000095578558 KK Annotated Anodyne O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000095578576 KK Annotated Clean COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095578583 KK Annotated Anodyne Cc1ccc2c(c1C)N(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)Cc1ccc(C(F)(F)F)nc1N2 ZINC000095578593 KK Annotated Anodyne COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2C)CC1 ZINC000095578630 KK Annotated Bother CC(C)(C)OC(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000095578636 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(=O)N1c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]1c1ccccc1)C2 ZINC000095578655 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(=O)N1c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]1c1ccccc1)C2 ZINC000095578656 KK Annotated Mild O=C(Cc1ccc(C(F)(F)F)cc1)NC(NC(=O)Cc1ccc(C(F)(F)F)cc1)c1ccccc1F ZINC000095578718 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(CCNC(=O)C(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095578724 KK Annotated Anodyne Cn1c(-c2ccc(Cl)cn2)c(C2CCCC2)c2ccc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)O)cc4)CCC3)cc21 ZINC000095578744 KK Annotated Anodyne CN(C)CCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(Sc3ccccc3)cc21 ZINC000095578862 KK Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccccc3)cc2c1 ZINC000095579033 KK Annotated Anodyne Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccccc3)cc2c1 ZINC000095579034 KK Annotated Anodyne O=C(CCSSc1ccccn1)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 ZINC000095579048 KK Annotated Reactive COC1CCC(/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095579099 KK Annotated Bother COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(OC(F)(F)F)cc3)c-2c/c1=N\C1CCOCC1 ZINC000095579100 KK Annotated Bother CS(=O)(=O)NC1(c2ccccc2)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000095579152 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4c(Cl)cccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095579185 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCCCNC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095579197 KK Annotated Anodyne CCN(CC)CCOc1ccc(Nc2nc(C)cc(-c3ccc(Oc4ccc5ccccc5c4)cc3)n2)cc1 ZINC000095579212 KK Annotated Anodyne CCC[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095579246 KK Annotated Anodyne Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)nc1 ZINC000095579253 KK Annotated Anodyne CCC1=C[C@H]2CN(CCc3c([nH]c4ccc(C)cc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095579314 KK Annotated Anodyne Cc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC(C)(C)C(=O)Nc4ccc5c(c4)cc(C(=O)O)n5C)cc3n2C)cs1 ZINC000095579332 KK Annotated Anodyne CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5ccccc5)cc4)c3n2)c1 ZINC000095579353 KK Annotated Anodyne CCCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095579390 KK Annotated Anodyne COc1cc2c(c(-c3cc(O)c4c(O)c5oc6c(C(=O)O)cc(C)cc6c(=O)c5c(OC)c4c3OC)c1)C[C@H](C)OC2=O ZINC000095579464 KK Annotated Bother COc1cc2c(c(-c3cc(O)c4c(O)c5oc6c(C(=O)O)cc(C)cc6c(=O)c5c(OC)c4c3OC)c1)C[C@@H](C)OC2=O ZINC000095579465 KK Annotated Bother O=C(CN1CCOCC1)Nc1nc(-c2ccccc2Cl)cc(-c2cc3cc(F)ccc3nc2Cl)n1 ZINC000095579534 KK Annotated Anodyne COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(CCSc4sccc4P(=O)(OC(C)C)OC(C)C)C[C@@H]3C(=O)O)c2c1 ZINC000095579581 KK Annotated Anodyne Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)O)cc5)CCC4)cc3n2C)nc1 ZINC000095579633 KK Annotated Anodyne Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5cccc6cccnc56)n(C)c4c3)ccc21 ZINC000095579665 KK Annotated Anodyne Cn1c(C(=O)O)cc2cc(NC(=O)C(C)(C)NC(=O)c3ccc4c(C5CCCC5)c(-c5cnccn5)n(C)c4c3)ccc21 ZINC000095579678 KK Annotated Anodyne O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O ZINC000095579741 KK Annotated Reactive COCc1cc(OC)c(-c2csc3c(N(CCC4CC4)C4CCOCC4)c(OC)nn23)c(OC)c1 ZINC000095579752 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)/C(C)=C\[C@H]2[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C1(C)C ZINC000095579753 KK Annotated Anodyne CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1 ZINC000095579760 KK Annotated Anodyne COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(CCCCCC(=O)NC13CC4C[C@](C)(C1)C[C@@](C)(C4)C3)C2 ZINC000095579807 KK Annotated Anodyne CCC(C)(C)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095579809 KK Annotated Anodyne CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCC(S(C)(=O)=O)CC2)CC1 ZINC000095579837 KK Annotated Anodyne CCC(CC)C[C@H](c1ccc(C(=O)O)c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095579839 KK Annotated Anodyne CCC/N=C/C1=Cc2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1C(=O)OCc1ccc(Cn2cnc4c(Cl)ncnc42)cc1)OCO3 ZINC000095579974 KK Annotated Mild CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(C6CC6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095580006 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)c1cc(/C=C/c2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095580042 KK Annotated Anodyne CC(C)C[C@@H](C(=O)O)c1cc(/C=C/c2ccc(-c3ccccc3)cc2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1 ZINC000095580043 KK Annotated Anodyne O=c1c2c(Nc3ccc(Cl)cc3)nn(-c3ccccc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000095580066 KK Annotated Anodyne CN(C)CCCOc1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1 ZINC000095580067 KK Annotated Mild COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(CCSc4sccc4P(=O)(OC(C)C)OC(C)C)C[C@@H]3C(=O)O)c2c1 ZINC000095580083 KK Annotated Anodyne O=c1c2c(Nc3ccc([N+](=O)[O-])cc3)nn(-c3ccc([N+](=O)[O-])cc3)c2nc(Nc2ccccc2)n1-c1ccccc1 ZINC000095580103 KK Annotated Bother COc1ccc(-c2nsc(C)c2C(=O)/N=C(\N)NCc2cc(C)c(NC(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000095580210 KK Annotated Mild FC(F)(F)Oc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cccnc4)cc-3nc3ccccc32)cc1 ZINC000095580235 KK Annotated Bother O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)N(C(=O)C(=O)N1c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]1c1ccccc1)c1ccccc1N2 ZINC000095580291 KK Annotated Mild O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)N(C(=O)C(=O)N1c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]1c1ccccc1)c1ccccc1N2 ZINC000095580292 KK Annotated Mild O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)N(C(=O)C(=O)N1c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]1c1ccccc1)c1ccccc1N2 ZINC000095580293 KK Annotated Mild O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1)N(C(=O)C(=O)N1c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]1c1ccccc1)c1ccccc1N2 ZINC000095580294 KK Annotated Mild Clc1ccc(-n2c3c/c(=N\C4CCOCC4)c(Nc4cncc(Br)c4)cc-3nc3ccccc32)cc1 ZINC000095580302 KK Annotated Bother COC1CCC(/N=c2\cc3n(-c4ccc(C(F)(F)F)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1 ZINC000095580390 KK Annotated Bother CCCNc1ncnc2c1ncn2CCCCCCOC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 ZINC000095580436 KK Annotated Reactive CCCN1CCO[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(C)=O)C(C)(C)O)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)C1 ZINC000095580448 KK Annotated Anodyne CC(=O)O[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5CN(Cc6ccccc6)CCO5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O ZINC000095580475 KK Annotated Anodyne O=C(NC1CCCCC1)N[C@@](Cc1ccccc1)(c1cc(F)cc(C(F)(F)F)c1)c1ccc(Cl)cn1 ZINC000095580507 KK Annotated Anodyne O=S(=O)(NCCCNc1c2c3ccccc3nc-2oc2ccc(Br)cc12)c1ccccc1 ZINC000095580552 KK Annotated Bother Cc1ccc(Nc2nn(-c3ccc(S(N)(=O)=O)cc3)c3nc(Nc4ccccc4)n(-c4ccccc4)c(=O)c23)cc1 ZINC000095580563 KK Annotated Anodyne O=C(CN1CCOCC1)Nc1nc(-c2ccc(Cl)cc2)cc(-c2cc3cc(F)ccc3nc2Cl)n1 ZINC000095580589 KK Annotated Anodyne CC(C)(C)n1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095580684 KK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095580697 KK Annotated Anodyne Cn1nccc1-c1cc(OC(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095580698 KK Annotated Anodyne Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1 ZINC000095580719 KK Annotated Anodyne Cc1cc(C(F)(F)F)nn1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(C(C)C)c1 ZINC000095580789 KK Annotated Mild CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095580808 KK Annotated Mild CC1=C[C@]2(C)C(=C(C)[C@H]3[C@H]4[C@@H]2C(=O)C2=C[C@](O)(Cc5ccc(cc5)O[C@@H]4[C@@H]4[C@@H](C)C[C@@H](C)C[C@@H]34)NC2=O)[C@@H]1C ZINC000095580817 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(I)cc1-c1cccc(CN2CCC2)c1 ZINC000095580831 KK Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(SC)cc2)C1 ZINC000095580881 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(SC)cc2)C1 ZINC000095580882 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2-c2ccccc2)c(F)c1 ZINC000095580912 KK Annotated Anodyne C=C(c1ccc(Br)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(Br)cc1)C1CC3CC(C1)CC2C3 ZINC000095580937 KK Annotated Reactive N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(-c2ccccc2)nn1CC(F)(F)F ZINC000095580952 KK Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(SC)cc2)C1 ZINC000095581011 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(SC)cc2)C1 ZINC000095581012 KK Annotated Anodyne Nc1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1 ZINC000095581023 KK Annotated Anodyne CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)C1 ZINC000095581047 KK Annotated Anodyne N#Cc1cccc(-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095581064 KK Annotated Mild O=S(=O)(Nc1ccc(F)cn1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2C2CCNCC2)cc1F ZINC000095581069 KK Annotated Anodyne O=C(NCCOc1ccc2sc(CNc3nncc(-c4c(Cl)cccc4Cl)n3)nc2c1)[C@@H]1CSC(c2ccccc2O)=N1 ZINC000095581082 KK Annotated Anodyne CC(C)(C)n1nc(Cc2ccc(Cl)cc2)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095581085 KK Annotated Anodyne Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncc(Cl)s2)cc1F ZINC000095581102 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccnc1 ZINC000095581132 KK Annotated Mild Cc1cccc(-c2cccc(OC(F)(F)F)c2)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095581151 KK Annotated Mild COc1cccc(-c2cc(Oc3ccc(S(=O)(=O)Nc4ncc(F)s4)cc3C#N)ccc2Cl)c1 ZINC000095581161 KK Annotated Mild O=S(=O)(Nc1nncs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnnc2)c(C(F)(F)F)c1 ZINC000095581176 KK Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(OC(F)(F)F)ccc2-c2ccnnc2)cc1F ZINC000095581236 KK Annotated Anodyne CC(=O)c1cccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095581246 KK Annotated Mild CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2cccc(C(F)(F)F)c2)SC1=S ZINC000095581251 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2cccc(C(F)(F)F)c2)SC1=S ZINC000095581252 KK Annotated Clean COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2cccs2)C1 ZINC000095581259 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2cccs2)C1 ZINC000095581260 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(F)cc(C)c2OC[C@H]1O)C(C)(C)C ZINC000095581288 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095581291 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccn(C2CCNCC2)n1 ZINC000095581322 KK Annotated Mild COc1ccc(-n2cc(Oc3ccc(S(=O)(=O)Nc4ncc(Cl)s4)cc3C#N)c(C(C)C)n2)cc1 ZINC000095581337 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1ccnn1CC(F)(F)F ZINC000095581346 KK Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(SC)cc2)C1 ZINC000095581347 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(SC)cc2)C1 ZINC000095581348 KK Annotated Anodyne CCOP(=O)(OCC)C(C)(C)NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095581396 KK Annotated Reactive CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(F)c1 ZINC000095581406 KK Annotated Mild CCCC[C@H](OC(=O)CN1CCCC1)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@H](CCCC)OC(=O)CN3CCCC3)CO[C@H]12 ZINC000095581410 KK Annotated Anodyne CN(C(=O)N(C)c1ccc(Cl)c(C(F)(F)F)c1)c1cc(Oc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000095581429 KK Annotated Anodyne Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)O)CC2)cc1Cl ZINC000095581433 KK Annotated Bother N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CN2CC(F)(F)C2)n1 ZINC000095581452 KK Annotated Mild CN(C)c1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095581473 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)ccn2)cc1 ZINC000095581479 KK Annotated Mild CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1OCCN(C)C ZINC000095581482 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(F)c(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095581498 KK Annotated Mild CC(C)(C#N)c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)c(-c2ccnnc2)c1 ZINC000095581501 KK Annotated Mild Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Br ZINC000095581528 KK Annotated Anodyne CCCCOc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095581533 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1ccnc(CO)c1 ZINC000095581546 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)cc1 ZINC000095581590 KK Annotated Mild COC1=C(OC)C(=O)C(CCCCCCCCCC[N+](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)=C(C)C1=O ZINC000095581592 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1cnn(C(F)F)c1 ZINC000095581619 KK Annotated Mild CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1OC1CCN(C)CC1 ZINC000095581630 KK Annotated Anodyne CCn1nc(C(F)(F)F)c(Cl)c1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095581647 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnc(Cl)c1 ZINC000095581649 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1[C@H](C)CCC[C@H]1O)C(C)(C)C ZINC000095581695 KK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095581701 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccn(C(F)(F)F)n1 ZINC000095581714 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1ccc(OC(F)(F)F)cc1 ZINC000095581726 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)c(C#N)c1 ZINC000095581729 KK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(C(F)(F)F)c(F)cc2-c2ccnnc2)cc1F ZINC000095581783 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2ccc(C(F)(F)F)n2)c(Cl)c1 ZINC000095581812 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)c(Cl)c1 ZINC000095581832 KK Annotated Mild O=S(=O)(Nc1cscn1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)c(F)c1 ZINC000095581835 KK Annotated Anodyne O=S(=O)(Nc1ncccn1)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095581842 KK Annotated Anodyne CC(C)Oc1cccc(-c2cc(F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095581851 KK Annotated Mild Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cnccn3)cc2Cl)ccn1 ZINC000095581858 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCCN=[N+]=[N-])CNC2=O)cc1Cl ZINC000095581881 KK Annotated Clean Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)ccn1 ZINC000095581962 KK Annotated Anodyne CC(C)c1cc(-n2ccc(C(F)(F)F)n2)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582029 KK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095582031 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(F)c1 ZINC000095582047 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C1CCC1 ZINC000095582057 KK Annotated Mild CC(C)(C)OC(=O)n1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncc(F)s3)cc2F)cn1 ZINC000095582059 KK Annotated Anodyne CC(C)Nc1nc2c(C(=O)N(C)C)c(Cl)c(Cl)cc2n1C1CCN(c2ccc(C3(C#N)CCOCC3)cc2)CC1 ZINC000095582060 KK Annotated Mild CCOC(=O)Cc1cc(Cl)c(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1[N+](=O)[O-] ZINC000095582089 KK Annotated Bother O=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2ccccc2F)c(F)c1 ZINC000095582094 KK Annotated Anodyne CCOP(=O)(OCC)C(C)(C)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095582153 KK Annotated Reactive CC(C)(C)n1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095582178 KK Annotated Anodyne Cc1cc(-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)ccn1 ZINC000095582179 KK Annotated Mild CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)cc1 ZINC000095582198 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(C(F)(F)F)cc1-c1ccnnc1 ZINC000095582209 KK Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncsc2Cl)cc1C#N ZINC000095582226 KK Annotated Mild CCOP(=O)(OCC)[C@H](NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095582241 KK Annotated Reactive CCOP(=O)(OCC)[C@@H](NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095582242 KK Annotated Reactive O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095582244 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(C(=O)N2CCC2)c1 ZINC000095582252 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-n1cnc(C(F)(F)F)c1 ZINC000095582272 KK Annotated Mild Nc1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)n1 ZINC000095582274 KK Annotated Anodyne COC(=O)c1nc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(NC(=O)CCCOc5cc6c(cc5OC)C(=O)N5CCC[C@H]5C=N6)cc4)cn3C)cn2C)cn1C ZINC000095582280 KK Annotated Anodyne CCn1nc(C(C)(C)C#N)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095582298 KK Annotated Mild CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cc1 ZINC000095582306 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)c(F)c1 ZINC000095582308 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1cc(F)c(F)c(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095582349 KK Annotated Mild CN1CC(n2nccc2-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2F)C1 ZINC000095582367 KK Annotated Anodyne CCCC[C@@H](OC(C)=O)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@@H](CCCC)OC(C)=O)CO[C@H]12 ZINC000095582369 KK Annotated Anodyne Cn1cc(-c2ccc(Cl)cc2)c(Oc2ccc(S(=O)(=O)Nc3ncc(Cl)s3)cc2C#N)n1 ZINC000095582377 KK Annotated Mild O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)c1)N1CCC1 ZINC000095582387 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccn(Cc3ccc(Cl)cc3)n2)c(C(F)(F)F)c1 ZINC000095582399 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1cc(C(F)(F)F)nn1Cc1ccccc1 ZINC000095582402 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCn3cc(C(C)(C)O)nn3)CNC2=O)cc1Cl ZINC000095582412 KK Annotated Anodyne COCc1cccc(-c2cc(Oc3ccc(S(=O)(=O)Nc4ncc(F)s4)cc3C#N)ccc2Cl)c1 ZINC000095582430 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccnc(N)c1 ZINC000095582452 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(Cl)ccc2OC[C@H]1O)C(C)(C)C ZINC000095582502 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccnn1CC(F)(F)F ZINC000095582526 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)cc1 ZINC000095582546 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)nn2CCCF)cc1F ZINC000095582571 KK Annotated Mild O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095582574 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnc(OC2CCC2)c1 ZINC000095582645 KK Annotated Mild COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095582659 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095582660 KK Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)n2)cc1F ZINC000095582666 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)C1 ZINC000095582669 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)C1 ZINC000095582670 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ccon3)cc2C#N)cc1 ZINC000095582700 KK Annotated Mild O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnn2C2CNC2)cc1F ZINC000095582702 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nc(C)ns3)cc2C#N)cc1 ZINC000095582750 KK Annotated Mild CC(C)(C)n1nccc1-c1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095582756 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)c(F)c1 ZINC000095582775 KK Annotated Mild CCOP(=O)(OCC)[C@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095582784 KK Annotated Reactive CCOP(=O)(OCC)[C@@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095582785 KK Annotated Reactive CCCC[C@@H](OC(=O)CN1CCCC1)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@@H](CCCC)OC(=O)CN3CCCC3)CO[C@H]12 ZINC000095582810 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)c(Cl)c1 ZINC000095582854 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(I)s2)ccc1Oc1ccc(Cl)cc1-c1cn[nH]c1 ZINC000095582859 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(N(C)C)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(F)cc(Cl)c2OC[C@H]1O)C(C)(C)C ZINC000095582883 KK Annotated Anodyne C#Cc1ccc(COc2ccc(N=[N+]=[N-])cc2CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000095582884 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095582894 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cn[nH]c1 ZINC000095582897 KK Annotated Mild O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2cncnc2)cc1F ZINC000095582932 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccc(Cl)nn2)cc1F ZINC000095582934 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1cccc(OC(F)(F)F)c1)C(=O)N[C@H]1[C@H](C)CCC[C@H]1O)C(C)(C)C ZINC000095582953 KK Annotated Anodyne Nc1n[nH]cc1-c1cc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095582960 KK Annotated Anodyne COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N2CCC(C(=O)O)CC2)cc1Cl ZINC000095582965 KK Annotated Bother CCOP(=O)(OCC)[C@@](C)(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCC(C)C ZINC000095583028 KK Annotated Reactive CCOP(=O)(OCC)[C@](C)(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCC(C)C ZINC000095583029 KK Annotated Reactive COC(=O)c1cc(-c2ccc(NC(=O)c3cc(-c4ccc(NC(=O)CCCOc5cc6c(cc5OC)C(=O)N5CCC[C@H]5C=N6)cc4)cn3C)cc2)cn1C ZINC000095583034 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1cc(F)cc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095583052 KK Annotated Mild Cn1nccc1-c1cc(C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(F)s2)cc1C#N ZINC000095583058 KK Annotated Mild O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)c1)N1CCC1 ZINC000095583110 KK Annotated Anodyne CC(C)N1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1 ZINC000095583111 KK Annotated Mild N#Cc1cncc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1 ZINC000095583116 KK Annotated Mild O=S(=O)(Nc1nncs1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)c(Cl)c1 ZINC000095583134 KK Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095583169 KK Annotated Anodyne COC(=O)[C@H](Cc1ccc2c(c1)CO[P@](=O)(O)O2)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)OC(C)(C)C ZINC000095583194 KK Annotated Anodyne Cn1cc(C(F)(F)F)nc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095583204 KK Annotated Mild CC(C)(C)n1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1Cl ZINC000095583208 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC(c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)CC1 ZINC000095583272 KK Annotated Mild Cc1cccc(-c2ccc(OC(C)C)cc2)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095583309 KK Annotated Mild CCCC[C@H](OC(C)=O)c1ccccc1C(=O)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[C@H](CCCC)OC(C)=O)CO[C@H]12 ZINC000095583351 KK Annotated Anodyne Cn1nc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)cc2)cc1C(F)(F)F ZINC000095583352 KK Annotated Mild Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3ccncn3)cc2Cl)ccn1 ZINC000095583360 KK Annotated Anodyne CCOc1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1F ZINC000095583374 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(C)ccc2OC[C@H]1O)C(C)(C)C ZINC000095583386 KK Annotated Anodyne COc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1-c1cccc(OC(C)=O)c1 ZINC000095583388 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(F)cc(Cl)c2OC[C@H]1O)C(C)(C)C ZINC000095583390 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2Cl)cc1 ZINC000095583409 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1CN1CCC(F)(F)C1 ZINC000095583426 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnc(NC2CCC2)c1 ZINC000095583437 KK Annotated Mild Cc1cc(C(F)(F)F)nn1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095583439 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C1CCNCC1 ZINC000095583442 KK Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)c(C(F)(F)F)c1 ZINC000095583462 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCCN=[N+]=[N-])CNC2=O)cc1Cl ZINC000095583463 KK Annotated Clean CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2F)C1 ZINC000095583473 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ncc(F)s3)cc2F)cc1 ZINC000095583476 KK Annotated Anodyne Nc1cccc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)n1 ZINC000095583486 KK Annotated Anodyne CCc1cc(-n2ccc(C(F)(F)F)n2)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095583492 KK Annotated Mild O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)n1)N1CCC1 ZINC000095583501 KK Annotated Anodyne Cc1nn(C(C)(C)C)cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000095583502 KK Annotated Anodyne C=CCOCCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000095583517 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncccc3Cl)cc2C#N)cc1 ZINC000095583530 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C(F)F ZINC000095583582 KK Annotated Mild O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)c1)N1CCC1 ZINC000095583585 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095583612 KK Annotated Reactive CCOP(=O)(OCC)[C@@H](NCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095583613 KK Annotated Reactive O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2cn[nH]c2)cc1F ZINC000095583629 KK Annotated Anodyne CCN1CC(n2nccc2-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1 ZINC000095583631 KK Annotated Mild Cc1nsc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3-c3ccnnc3)cc2F)n1 ZINC000095583654 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccc(N)nc1 ZINC000095583658 KK Annotated Mild Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)c(-c2c(C)cnn2C(C)(C)C)c1 ZINC000095583663 KK Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(F)c(C(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095583676 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095583700 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095583701 KK Annotated Anodyne Nc1ccnc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1 ZINC000095583708 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F ZINC000095583709 KK Annotated Anodyne O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095583710 KK Annotated Anodyne COCCn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000095583711 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)n(CCCF)n2)cc1F ZINC000095583725 KK Annotated Mild CS(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2-c2ccccc2Cl)nc1 ZINC000095583739 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3cc(C#N)ccn3)cc2C#N)cc1 ZINC000095583763 KK Annotated Mild Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)cc1Cl ZINC000095583791 KK Annotated Bother N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1CN1CCC(F)(F)CC1 ZINC000095583794 KK Annotated Mild Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1C#N ZINC000095583830 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)c(C#N)c1 ZINC000095583843 KK Annotated Mild CCn1cc(C(F)(F)F)nc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095583847 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2F)cc1 ZINC000095583866 KK Annotated Anodyne Cc1cccc(-c2ccc(OC(F)(F)F)cc2)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095583867 KK Annotated Mild O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095583918 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(Cl)cc(F)c2OC[C@H]1O)C(C)(C)C ZINC000095583919 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000095583934 KK Annotated Reactive CCOP(=O)(OCC)[C@@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000095583935 KK Annotated Reactive COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095583940 KK Annotated Anodyne COc1ccc2ccc(=O)oc2c1C1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000095583941 KK Annotated Anodyne CN1CC(n2nccc2-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)C1 ZINC000095583951 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccc(C(=O)O)cc1 ZINC000095583973 KK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(F)c(OC(F)(F)F)cc2-c2ccnnc2)cc1F ZINC000095584007 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2Cc2ccccc2)c(F)c1 ZINC000095584048 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(Cl)cc2-c2ccnn2-c2ccccc2)cc1F ZINC000095584081 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)cc1 ZINC000095584085 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cccc(F)c2OC[C@H]1O)C(C)(C)C ZINC000095584112 KK Annotated Anodyne O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1)N1CC(O)C1 ZINC000095584113 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2nccc(C(F)(F)F)n2)cc1 ZINC000095584134 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCCN=[N+]=[N-])CNC2=O)cc1Cl ZINC000095584146 KK Annotated Clean Cn1nccc1-c1cc(C(F)(F)F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095584166 KK Annotated Mild O=C(c1cccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ccncn3)cc2Cl)c1)N1CCC1 ZINC000095584171 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cccc(C(F)(F)F)n2)cc1 ZINC000095584172 KK Annotated Mild Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2Cl)c1/C=C1\SC(=S)N(CC(=O)O)C1=O ZINC000095584175 KK Annotated Clean O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)c2)cc1F ZINC000095584188 KK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cncc(CO)c2)cc1F ZINC000095584191 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)cc3F)cc2C#N)cc1 ZINC000095584210 KK Annotated Mild COC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc(NC(=O)CCCOc5cc6c(cc5OC)C(=O)N5CCC[C@H]5C=N6)cc4)cn3C)cn2C)cn1C ZINC000095584226 KK Annotated Anodyne COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2OC(C)=O)c1 ZINC000095584230 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000095584261 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)c(C#N)c1 ZINC000095584263 KK Annotated Mild Cc1nn(Cc2ccccc2)cc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1F ZINC000095584279 KK Annotated Anodyne O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2C2CCNCC2)cc1F ZINC000095584282 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cn[nH]c1 ZINC000095584295 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(C(=O)O)c1 ZINC000095584350 KK Annotated Mild COc1cc(C)ccc1Oc1cccc(F)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095584363 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1 ZINC000095584365 KK Annotated Mild O=S(=O)(Nc1ncns1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2ccnnc2)c(Cl)c1 ZINC000095584376 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nc(C)ns3)cc2C#N)c1 ZINC000095584404 KK Annotated Mild CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2cccc(Cl)c2)SC1=S ZINC000095584430 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2cccc(Cl)c2)SC1=S ZINC000095584431 KK Annotated Clean O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(OC(F)(F)F)c(F)cc2-c2ccnnc2)cc1F ZINC000095584438 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2F)cc1 ZINC000095584490 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1F ZINC000095584511 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-n2ccc(C(F)(F)F)n2)cc1C(F)(F)F ZINC000095584512 KK Annotated Mild NCc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1 ZINC000095584530 KK Annotated Anodyne COC1=C(OC)C(=O)C(CCCCCCCCCC[N+](C)(Cc2ccccc2)Cc2ccccc2)=C(C)C1=O ZINC000095584533 KK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2ccnnc2)cc1F ZINC000095584569 KK Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1 ZINC000095584578 KK Annotated Anodyne CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc3ccccc3c2)SC1=S ZINC000095584586 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc3ccccc3c2)SC1=S ZINC000095584587 KK Annotated Clean O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2-c2ccnn2C2CNC2)cc1F ZINC000095584596 KK Annotated Anodyne C=CCOCCC[C@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000095584602 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3ccc(F)cn3)cc2Cl)cc1 ZINC000095584625 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-c2cccc(C(F)(F)F)n2)c1 ZINC000095584638 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(F)ccc2OC[C@H]1O)C(C)(C)C ZINC000095584642 KK Annotated Anodyne Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1C#N ZINC000095584644 KK Annotated Mild O=S(=O)(Nc1nccs1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095584646 KK Annotated Anodyne Cc1cc(C)c(-c2nc3cc(N4CCCC4)ncc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1 ZINC000095584651 KK Annotated Mild CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C#N)cn3)cc2C#N)cc1 ZINC000095584657 KK Annotated Mild COCCn1ccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nncs3)cc2Cl)n1 ZINC000095584676 KK Annotated Anodyne COC(=O)c1cccc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)c1 ZINC000095584678 KK Annotated Mild O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095584682 KK Annotated Anodyne COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCN=[N+]=[N-])CNC2=O)cc1Cl ZINC000095584688 KK Annotated Clean N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CN2CCC2)c1 ZINC000095584701 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1C1CCNCC1 ZINC000095584706 KK Annotated Mild CN(C)c1ccc2c(-c3ccc(C(=O)NCCCCCNC(=O)CCn4cc(CCN)c5cc(O)ccc54)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1 ZINC000095584708 KK Annotated Bother CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1F ZINC000095584718 KK Annotated Mild CCn1nc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4ncc(F)s4)cc3C#N)c(F)c2)cc1C(F)(F)F ZINC000095584720 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1c[nH]nc1C(F)(F)F ZINC000095584727 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](CCN=[N+]=[N-])CNC2=O)cc1Cl ZINC000095584739 KK Annotated Clean COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cc(C)cc(F)c2OC[C@H]1O)C(C)(C)C ZINC000095584741 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)ccc1OCCCN(C)C ZINC000095584748 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)cc1F ZINC000095584756 KK Annotated Mild COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2O)c1 ZINC000095584777 KK Annotated Anodyne CC(C)(C)n1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)c(F)c2)cc1 ZINC000095584796 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1ccncc1 ZINC000095584842 KK Annotated Mild CCN1CC(n2nccc2-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3cscn3)cc2C#N)C1 ZINC000095584843 KK Annotated Mild Oc1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc(s3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2s3)cc1 ZINC000095584857 KK Annotated Bother Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ccncn3)cc2Cl)ccn1 ZINC000095584872 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N)c1 ZINC000095584881 KK Annotated Mild COC(=O)c1cc(NC(=O)c2cc(-c3ccc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cc3)cn2C)cn1C ZINC000095584892 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2cc(C(F)(F)F)nn2-c2cc(F)ccc2F)c(F)c1 ZINC000095584909 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncccc3F)cc2C#N)cc1 ZINC000095584910 KK Annotated Mild CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(OC)cc2)SC1=S ZINC000095584912 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2ccc(OC)cc2)SC1=S ZINC000095584913 KK Annotated Clean N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccccc1-c1cccc(OC(F)(F)F)c1 ZINC000095584923 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(CN2CCC2)c1 ZINC000095584946 KK Annotated Mild O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(C(F)(F)F)cc2C2CCOCC2)cc1F ZINC000095584955 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(OC(F)(F)F)cc1-c1cn[nH]c1 ZINC000095584969 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1cnn(CC(F)(F)F)c1 ZINC000095584972 KK Annotated Mild CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2cccc(C)c2)SC1=S ZINC000095584981 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(C)nn(-c3ccccc3)c2Oc2cccc(C)c2)SC1=S ZINC000095584982 KK Annotated Clean COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1c2cccc(Cl)c2OC[C@H]1O)C(C)(C)C ZINC000095584984 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)c(F)c1 ZINC000095584992 KK Annotated Anodyne Cc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000095584995 KK Annotated Anodyne COC(=O)C1CCN(c2cc(Cl)c(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3C)cc2[N+](=O)[O-])CC1 ZINC000095585016 KK Annotated Bother N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1ccnn1-c1ccccc1 ZINC000095585018 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C(F)(F)F ZINC000095585019 KK Annotated Mild Cn1nccc1-c1cc(Br)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095585021 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095585026 KK Annotated Reactive CCOP(=O)(OCC)[C@@H](NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C ZINC000095585027 KK Annotated Reactive CC(C)c1cc(-n2cc(Cl)cn2)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095585031 KK Annotated Mild CC(C)c1nn(-c2ccccc2Cl)cc1Oc1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1C#N ZINC000095585040 KK Annotated Mild O=S(=O)(Nc1ccc(F)cn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F ZINC000095585041 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(-c2ccc(Cl)cc2)nn1CC(F)(F)F ZINC000095585046 KK Annotated Mild Cc1cc(OC(C)C)ccc1-c1ccccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095585087 KK Annotated Mild COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccc(OC)nc2)cc1)[C@@H](O)C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1c2cc(Cl)ccc2OC[C@H]1O)C(C)(C)C ZINC000095585091 KK Annotated Anodyne CCNC(=O)c1ccc(-c2cccc(Oc3ccc(S(=O)(=O)Nc4ccc(F)cn4)cc3C#N)c2)cc1 ZINC000095585110 KK Annotated Mild COC(=O)C1CCN(c2cc(Cl)c(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3OC)cc2[N+](=O)[O-])CC1 ZINC000095585162 KK Annotated Bother CN1CC(n2nccc2-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)C1 ZINC000095585172 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2F)cc1 ZINC000095585179 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)c1 ZINC000095585184 KK Annotated Mild C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000095585196 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1 ZINC000095585201 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C(F)F ZINC000095585214 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cccc(-c2cc(C(F)(F)F)ccn2)c1 ZINC000095585231 KK Annotated Mild O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2cc(C(F)(F)F)ccc2-c2cccc(CO)c2)cc1F ZINC000095585236 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1cc(C(F)(F)F)nn1-c1ccccc1 ZINC000095585242 KK Annotated Mild Cc1cccc(-c2cccc(OC(C)C)c2)c1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N ZINC000095585251 KK Annotated Mild O=S(=O)(Nc1ncc(Cl)s1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CNC2)cc1F ZINC000095585254 KK Annotated Anodyne O=C(c1cccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1)N1CCC1 ZINC000095585279 KK Annotated Anodyne CC(C)(C)n1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1Cl ZINC000095585286 KK Annotated Anodyne Cn1nccc1-c1nc(C(F)(F)F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cscn2)cc1Cl ZINC000095585293 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1cc(-c2ccccc2F)nn1CC(F)(F)F ZINC000095585298 KK Annotated Mild CCn1nc(-c2ccc(Oc3ccc(S(=O)(=O)Nc4nccs4)cc3C#N)c(F)c2)cc1C(F)(F)F ZINC000095585300 KK Annotated Mild COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@@H](CCCn3cc(C(C)(C)O)nn3)CNC2=O)cc1Cl ZINC000095585312 KK Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cccnn3)cc2Cl)ccn1 ZINC000095585337 KK Annotated Anodyne CC(C)(C)n1ccc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)n1 ZINC000095585356 KK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095585385 KK Annotated Anodyne Cn1nccc1-c1cc(C(F)(F)F)ncc1Oc1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1C#N ZINC000095585429 KK Annotated Mild CCN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2F)C1 ZINC000095585431 KK Annotated Anodyne CC(C)n1cc(-c2cc(Cl)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cn1 ZINC000095585435 KK Annotated Mild Cn1nccc1-c1ccc(C(F)(F)F)cc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095585451 KK Annotated Mild CCOP(=O)(OCC)C(C)(C)NCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095585452 KK Annotated Reactive COC(=O)c1cc(-c2ccc(NC(=O)c3cc(NC(=O)CCCOc4cc5c(cc4OC)C(=O)N4CCC[C@H]4C=N5)cn3C)cc2)cn1C ZINC000095585453 KK Annotated Anodyne Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1 ZINC000095585493 KK Annotated Anodyne O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCN(Cc2ccccc2OCc2cccc(Br)c2)CC1 ZINC000095585518 KK Annotated Anodyne O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)c(F)c2-c2ccnnc2)cc1F ZINC000095585523 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2cscn2)cc1C#N ZINC000095585529 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2F)cc1 ZINC000095585550 KK Annotated Anodyne Nc1ncccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl ZINC000095585555 KK Annotated Anodyne Cn1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2F)cn1 ZINC000095585557 KK Annotated Anodyne O=S(=O)(Nc1nccs1)c1ccc(Oc2ccc(F)cc2-c2ccnn2CC(F)(F)F)c(F)c1 ZINC000095585560 KK Annotated Anodyne N#Cc1cc(S(=O)(=O)Nc2cscn2)ccc1Oc1ccc(F)cc1-c1cnn(CC(F)(F)F)c1 ZINC000095585580 KK Annotated Mild CC(C)c1cc(-c2cc(C(F)(F)F)nn2C)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1C#N ZINC000095585588 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccc(CN2CC[C@@H](O)C2)c1 ZINC000095585602 KK Annotated Mild O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F ZINC000095585651 KK Annotated Anodyne O=S(=O)(Nc1cscn1)c1cc(F)c(Oc2ccc(OC(F)(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095585662 KK Annotated Anodyne Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncccn3)cc2Cl)ccn1 ZINC000095585665 KK Annotated Anodyne COc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1-c1cccc(O)c1 ZINC000095585670 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncc(F)s3)cc2C#N)cc1F ZINC000095585704 KK Annotated Mild C#CCOc1ccc(C(=O)Nc2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095585723 KK Annotated Mild N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1cccc(N)n1 ZINC000095585727 KK Annotated Mild Cc1cc(S(=O)(=O)Nc2ncns2)c(F)cc1Oc1ccc(C(F)(F)F)cc1-c1ccnnc1 ZINC000095585744 KK Annotated Anodyne CN(C)c1n[nH]cc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000095585758 KK Annotated Anodyne CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cn3)cc2C#N)cc1 ZINC000095585760 KK Annotated Mild Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)cc1F ZINC000095585768 KK Annotated Mild COc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3cscn3)cc2Cl)n(C)n1 ZINC000095585815 KK Annotated Anodyne Cn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c(Cl)c1 ZINC000095585853 KK Annotated Mild CN(C)CCn1nc(C(F)(F)F)cc1-c1cccc(Oc2ccc(S(=O)(=O)Nc3nccs3)cc2C#N)c1 ZINC000095585869 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4cc5ccccc5nc4Cl)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095585909 KK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2cccc(OC)c2)nc14 ZINC000095585914 KK Annotated Anodyne COc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4ccccc43)on2)cc1 ZINC000095585933 KK Annotated Bother COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(OC(C)(C)C)cc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095585950 KK Annotated Mild COc1c(CC=C(C)C)c(O)c(C(C)=O)c(O)c1Cc1c(O)c(C(C)=O)c(O)c(CC=C(C)C)c1OC ZINC000095585951 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)c(OC)c2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095586008 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)N(c1ccccc1I)C1=C(C(=O)CC(C)(C)C1)C2c1cccc(O)c1 ZINC000095586039 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095586060 KK Annotated Anodyne CCc1cccc(CC)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000095586078 KK Annotated Bother COc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4cc(Br)ccc43)on2)cc1 ZINC000095586092 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CON(C(=S)Nc2cccc([N+](=O)[O-])c2)[C@@H]14 ZINC000095586095 KK Annotated Bother CC1(C)CC(=O)C2=C(C1)N(c1ccc(I)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1 ZINC000095586180 KK Annotated Mild CC1(C)C(=O)C(O)=C[C@]2(C)C3=CC=C4[C@@H]5C[C@@](C)(C(=O)n6ccnc6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 ZINC000095586184 KK Annotated Mild CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000095586226 KK Annotated Anodyne N#Cc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4cc(Br)ccc43)on2)cc1 ZINC000095586239 KK Annotated Mild O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095586241 KK Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN(C(C)C)C(C)C)[C@@H](C=C4C(=O)c5c(O)cc6c(c5O[C@]431)C=CC(C)(C)O6)C2=O ZINC000095586244 KK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc([N+](=O)[O-])cc2)nc14 ZINC000095586266 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CON(C(=S)Nc2ccccc2[N+](=O)[O-])[C@@H]14 ZINC000095586271 KK Annotated Bother CC1(C)C(=O)C(I)=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 ZINC000095586295 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(C(F)(F)F)C[C@@]2(O)C(F)(F)F)n1 ZINC000095586319 KK Annotated Anodyne COc1cc(-c2nc3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(Cl)cc1 ZINC000095586345 KK Annotated Anodyne CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)COCCOCC(=O)N(C)CCCN1c2ccccc2CCc2ccccc21 ZINC000095586403 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2cccc(C)c2)nc14 ZINC000095586415 KK 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]1CON(C(=S)Nc2cccc(F)c2)[C@@H]14 ZINC000095586455 KK Annotated Anodyne CN(C)CCn1nc2c3c(c(NCCCCCCc4ccc(N(CCCl)CCCl)cc4)ccc31)C(=O)c1ccncc1-2 ZINC000095586519 KK Annotated Reactive CCc1ccc(C(=O)O[C@H]2C[C@@H]3[C@](C)(CC[C@H](OC(C)=O)[C@@]3(C)COC(C)=O)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]23C)cc1 ZINC000095586527 KK Annotated Anodyne COc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095586563 KK Annotated Anodyne CCCCN(CCCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc5c(c4O)C=CC(C)(C)O5)O[C@]123 ZINC000095586567 KK Annotated Mild CCOCC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@]32C)C(C)(C)[C@@H]1OC(=O)COCC ZINC000095586580 KK Annotated Anodyne CCCCN(CCCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc5c(c4O[C@]123)C=CC(C)(C)O5 ZINC000095586592 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095586606 KK Annotated Anodyne COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2Cc2c(c4ccccc4n2C)C3)cc1 ZINC000095586674 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(F)c(Cl)c2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095586677 KK Annotated Anodyne C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC(=O)CC(C)(C)O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 ZINC000095586679 KK Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)C[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)C/C1=C\c1ccc(Cl)cc1 ZINC000095586707 KK Annotated Mild CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccccc2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095586712 KK 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]1CON(C(=S)Nc2cccc(C)c2)[C@@H]14 ZINC000095586714 KK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCCCC/C=C/[C@H](O)CCCCCCCCC/C=C\C#CC(=O)O ZINC000095586719 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCC/C=C/[C@@H](O)CCCCCCCCC/C=C\C#CC(=O)O ZINC000095586720 KK Annotated Mild CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(F)cc2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095586731 KK Annotated Anodyne CCC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@]32C)C(C)(C)[C@@H]1OC(=O)CC ZINC000095586786 KK Annotated Anodyne COc1ccc(CS[C@@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095586822 KK Annotated Anodyne COc1ccc(CS[C@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095586823 KK Annotated Anodyne CN1C[C@H](c2cncc(-c3ccc(F)cc3)c2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095586901 KK Annotated Anodyne O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CN(C(=O)C[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)C/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000095586968 KK Annotated Mild O=C(CN1CCN(Cc2cccc(Br)c2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095587065 KK Annotated Anodyne COc1ccc(CC2=C(c3cc(OC)cc(OC)c3)[C@@H](c3ccc(OC)cc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095587073 KK Annotated Anodyne O=C(CN1CCN(Cc2ccc(Br)cc2)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095587108 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](OC(=O)c1ccccc1)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12 ZINC000095587126 KK Annotated Anodyne COc1c(OCCCCBr)cc2oc3cc(OCCCCBr)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000095587136 KK Annotated Reactive CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2)nc14 ZINC000095587177 KK Annotated Anodyne CCN(CC)CCCCOc1cc2oc3cc(OCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000095587180 KK Annotated Bother CCCN(CCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc5c(c4O[C@]123)C=CC(C)(C)O5 ZINC000095587184 KK Annotated Mild CCC(=O)O[C@H]1C[C@H]2[C@]3(C)C(=O)C[C@]4(C)[C@@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@H](OC(=O)CC)C[C@@]4(C)[C@@H]3C[C@H]3O[C@@]23C(C)(C)[C@@H]1OC(=O)CC ZINC000095587186 KK Annotated Anodyne COc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 ZINC000095587197 KK Annotated Reactive CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(F)c(F)c2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095587301 KK Annotated Anodyne COc1cc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2Cc2c(c4ccccc4n2C)C3)cc(OC)c1OC ZINC000095587341 KK Annotated Anodyne C=C1O[C@]23C=C[C@@H]4[C@@]1(CC[C@]1(C)[C@@H]([C@H](C)C/C=C/C(C)(C)OC)CC[C@@]41C)[C@@H]2CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C3(C)C ZINC000095587364 KK 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]1CON(C(=S)Nc2ccccc2Br)[C@@H]14 ZINC000095587374 KK Annotated Anodyne CCCCCc1cc2ccccc2nc1-c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095587426 KK Annotated Mild COc1ccc([C@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@H](c3ccccc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095587436 KK Annotated Anodyne COc1ccc([C@@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@H](c3ccccc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095587437 KK Annotated Anodyne COc1ccc([C@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@@H](c3ccccc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095587438 KK Annotated Anodyne COc1ccc([C@@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@@H](c3ccccc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095587439 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc(Cl)cc2Cl)nc14 ZINC000095587461 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)C1 ZINC000095587579 KK Annotated Mild O=C1/C(=C/c2ccc(F)cc2)CN(C(=O)C[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2ccccc23)C/C1=C\c1ccc(F)cc1 ZINC000095587594 KK Annotated Mild CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)cc2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095587609 KK Annotated Anodyne CN1C[C@H](c2ccc(N3CCCCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095587662 KK Annotated Anodyne COc1cc(-c2nc3ccc(F)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095587723 KK Annotated Anodyne COc1cc(-c2nc3ccc(F)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095587737 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc(OC)cc2)nc14 ZINC000095587783 KK Annotated Anodyne CC(C)(C)c1nc(-c2ccc(F)c(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1 ZINC000095587811 KK Annotated Anodyne CCC[C@H](NC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095587819 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(Cl)s4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095587820 KK Annotated Mild CCCCCCCCN1CCN(CC(=O)Nc2ccc3c(c2)CCc2nnc(-c4cccc(Cl)c4)n2-3)CC1 ZINC000095587902 KK Annotated Mild CCOC(=O)c1c(N2C3=C(C(=O)CC(C)(C)C3)C(c3cccs3)C3=C2CC(C)(C)CC3=O)sc2c1CCCC2 ZINC000095587909 KK Annotated Mild CNc1ncnc(N)c1N(C=O)C/C=C(\C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)C(COC(=O)c3ccc[nH]3)=CCC[C@H]21 ZINC000095587959 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2C)nc14 ZINC000095587961 KK Annotated Anodyne COc1ccc(/C=C2\c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095588004 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc5ccccc5c4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095588011 KK Annotated Mild COC(=O)COc1c(Br)cc(Br)cc1Oc1c(Br)c(Br)c(Br)c(Br)c1CC(=O)OC ZINC000095588053 KK Annotated Anodyne O=[N+]([O-])c1c(Cl)c(Cl)n(CC(I)=C(I)I)c1Cc1cc(Cl)cc(Cl)c1O ZINC000095588098 KK Annotated Bother COc1c(OCCCCN2CCCC2)cc2oc3cc(OCCCCN4CCCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000095588166 KK Annotated Bother CC(C)[C@H]1C(=O)N[C@@H](C[C@]23C[C@H]4C(=C[C@H]2N(C=O)c2ccccc23)CC[C@H]2C(C)(C)CCC[C@@]24C)C(=O)N1C ZINC000095588185 KK Annotated Anodyne CN1C[C@H](c2ccc(Br)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095588191 KK Annotated Anodyne COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2sc(C(F)(F)F)nc12 ZINC000095588285 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@H]1C[C@H]2[C@](C)(C3=CC[C@@H](c4ccoc4)[C@@]31C)[C@H](O)[C@@H]1OC[C@]3(C)C=CC(=O)[C@@]2(C)[C@@H]13 ZINC000095588320 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](OC(=O)C(F)(F)F)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12 ZINC000095588330 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2Cl)nc14 ZINC000095588380 KK Annotated Anodyne COc1c(OCCCCN2CCOCC2)cc2oc3cc(OCCCCN4CCOCC4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000095588385 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CON(C(=S)Nc2ccc(F)cc2)[C@@H]14 ZINC000095588472 KK Annotated Anodyne CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)N(c1ccccc1)c1ccccc12 ZINC000095588495 KK Annotated Mild Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(C(F)(F)F)ccc32)cc1 ZINC000095588511 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(C(F)(F)F)ccc32)cc1 ZINC000095588512 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(F)c(Cl)c4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095588554 KK Annotated Mild CCN(CC)CCCCCCOc1cc2oc3cc(OCCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000095588670 KK Annotated Bother CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(F)c(Cl)c2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095588691 KK Annotated Anodyne O=C(CN1CCN(Cc2ccccc2Br)CC1)Nc1ccc2c(c1)CCc1nnc(-c3cccc(Cl)c3)n1-2 ZINC000095588699 KK Annotated Anodyne CC(=O)O[C@H](C)OC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095588716 KK Annotated Anodyne CC(=O)O[C@@H](C)OC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095588717 KK 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]1CON(C(=S)Nc2ccc(C)cc2)[C@@H]14 ZINC000095588720 KK Annotated Anodyne CCCc1oc(=O)c([C@@H](c2ccccc2)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)C ZINC000095588778 KK Annotated Anodyne CCCc1oc(=O)c([C@H](c2ccccc2)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C(C)C ZINC000095588779 KK Annotated Anodyne Cc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)c2c(OS(=O)(=O)c4ccc(C)cc4)cc(CCl)cc2C3=O)cc1 ZINC000095588805 KK Annotated Reactive C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(=O)CCC)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000095588892 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12C[C@H]3C(=O)N(C)[C@@H](C(C)C)C(=O)N3[C@@H]1N(C=O)c1ccccc12 ZINC000095588897 KK Annotated Mild COc1ccc(C(=O)c2cc3cc(/C=C/C(=O)c4ccc5c(c4O)C=C[C@@](C)(CCC=C(C)C)O5)ccc3o2)cc1 ZINC000095588924 KK Annotated Mild COc1ccc(C(=O)c2cc3cc(/C=C/C(=O)c4ccc5c(c4O)C=C[C@](C)(CCC=C(C)C)O5)ccc3o2)cc1 ZINC000095588925 KK Annotated Mild CCCN(CCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc5c(c4O)C=CC(C)(C)O5)O[C@]123 ZINC000095588937 KK Annotated Mild COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(-c5ccccn5)cc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095588969 KK Annotated Mild CN1C[C@H](c2ccc(OC(F)(F)F)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095588988 KK Annotated Anodyne COc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4cc(OC)ccc43)on2)cc1 ZINC000095589006 KK Annotated Bother COc1ccc(/C=C2/c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095589015 KK Annotated Anodyne Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC[C@@H]3CCOC3)cc2)c(=O)n1C ZINC000095589043 KK Annotated Anodyne Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC[C@H]3CCOC3)cc2)c(=O)n1C ZINC000095589044 KK Annotated Anodyne CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCC4)c(N)n3)nn2)cc1 ZINC000095589049 KK Annotated Anodyne CC(C)=CC[C@@]12OC[C@@H]3[C@@H](CN(C(C)C)C(C)C)[C@@H](C=C4C(=O)c5c(cc6c(c5O)C=CC(C)(C)O6)O[C@]431)C2=O ZINC000095589088 KK Annotated Mild COc1c(OCCCCn2cncn2)cc2oc3cc(OCCCCn4cncn4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000095589121 KK Annotated Bother COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)C2(C)C)c2sc(C(F)(F)F)nc12 ZINC000095589125 KK 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]1CON(C(=S)Nc2cccc(Br)c2)[C@@H]14 ZINC000095589148 KK Annotated Anodyne O=c1oc2ccccc2cc1-c1csc(N2N=C(c3ccc(Br)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095589160 KK Annotated Anodyne CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(C4CCCCC4)c(N)n3)nn2)cc1 ZINC000095589162 KK Annotated Anodyne COc1cccc(-n2ncnc2[C@H]2C(C)=Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000095589215 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc(C)cc2)nc14 ZINC000095589278 KK Annotated Anodyne C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(=O)CCCCC)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000095589289 KK Annotated Mild CCNC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)ccc1Oc1cncc(Cl)c1 ZINC000095589292 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12C(=O)C=C(C)C(=O)[C@]1(O)Oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3 ZINC000095589298 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12C(=O)C=C(C)C(=O)[C@@]1(O)Oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3 ZINC000095589299 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12C(=O)C=C(C)C(=O)[C@]1(O)Oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3 ZINC000095589300 KK Annotated Mild CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12C(=O)C=C(C)C(=O)[C@@]1(O)Oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3 ZINC000095589301 KK Annotated Mild Cc1cc(C(F)(F)F)c(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OCC(C)C)cc2)c(=O)n1C ZINC000095589306 KK Annotated Anodyne CCOc1cccc(-n2ncnc2[C@H]2C(C)=Nc3cc(C(F)(F)F)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 ZINC000095589307 KK Annotated Anodyne COCCCOC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095589350 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2cc(OC)c(OC)c(OC)c2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095589376 KK Annotated Anodyne O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095589392 KK 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]1CON(C(=S)Nc2ccccc2)[C@@H]14 ZINC000095589406 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2cccc(Cl)c2)nc14 ZINC000095589415 KK Annotated Anodyne CC1(C)CCC[C@@]2(C)C1=C(O)C(=O)c1c2cc(O)c(O)c1C1=C2C=C(O)C(=O)C=C2[C@@]2(C)CCCC(C)(C)[C@@H]2C1=O ZINC000095589486 KK Annotated Mild Cc1c(C(=O)Nc2ccc(N3CCC(COc4cccc(CC(=O)O)c4)CC3)nc2)oc2ccc(-c3ccccc3)cc12 ZINC000095589509 KK Annotated Anodyne O=[N+]([O-])c1ccc(Sc2nc3cc(Br)ccc3n2Cc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 ZINC000095589631 KK Annotated Bother CCCC(=O)O[C@H]1C[C@H]2[C@]3(C)C(=O)C[C@]4(C)[C@@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@H](OC(=O)CCC)C[C@@]4(C)[C@@H]3C[C@H]3O[C@@]23C(C)(C)[C@@H]1OC(=O)CCC ZINC000095589647 KK Annotated Anodyne Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 ZINC000095589667 KK Annotated Anodyne O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)NCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 ZINC000095589685 KK 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]1CON(C(=S)Nc2ccc(Cl)cc2)[C@@H]14 ZINC000095589686 KK Annotated Anodyne COCOc1ccc(/C=C/C(=O)c2c(O)c3c(c4c2O[C@](C)(CCC=C(C)C)C=C4)O[C@](C)(CCC=C(C)C)C=C3)cc1C(OC)OC ZINC000095589691 KK Annotated Mild COCOc1ccc(/C=C/C(=O)c2c(O)c3c(c4c2O[C@](C)(CCC=C(C)C)C=C4)O[C@@](C)(CCC=C(C)C)C=C3)cc1C(OC)OC ZINC000095589692 KK Annotated Mild COCOc1ccc(/C=C/C(=O)c2c(O)c3c(c4c2O[C@@](C)(CCC=C(C)C)C=C4)O[C@](C)(CCC=C(C)C)C=C3)cc1C(OC)OC ZINC000095589693 KK Annotated Mild COCOc1ccc(/C=C/C(=O)c2c(O)c3c(c4c2O[C@@](C)(CCC=C(C)C)C=C4)O[C@@](C)(CCC=C(C)C)C=C3)cc1C(OC)OC ZINC000095589694 KK Annotated Mild CCOc1ccc2c(c1OCc1ccccc1)CCN(c1ccc(C(=O)N(C)c3cccc(C)n3)cn1)C2 ZINC000095589749 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2cccc(F)c2)nc14 ZINC000095589815 KK Annotated Anodyne COc1ccc([C@H]2C(c3cc(OC)cc(OC)c3)=C([C@H](O)c3ccc(OC)cc3)c3cc(OC)cc(OC)c32)cc1 ZINC000095589907 KK Annotated Anodyne COc1ccc([C@@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@@H](c3ccc(OC)cc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095589908 KK Annotated Anodyne COc1ccc([C@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@H](c3ccc(OC)cc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095589909 KK Annotated Anodyne COc1ccc([C@H](O)C2=C(c3cc(OC)cc(OC)c3)[C@@H](c3ccc(OC)cc3)c3c(OC)cc(OC)cc32)cc1 ZINC000095589910 KK Annotated Anodyne Cc1c(C(=O)Nc2ccc(N3CCC(COc4cccc(C(=O)O)c4)CC3)nc2)oc2ccc(-c3ncco3)cc12 ZINC000095589928 KK Annotated Anodyne Cc1ccc2nc(-c3ccc(OCC4CCN(C(=O)Nc5ccc(Cl)cc5)CC4)cc3)c(NC(C)C)n2c1 ZINC000095589944 KK Annotated Anodyne Sc1nnc(COc2cccc3ccccc23)n1/N=C/c1c[nH]nc1-c1cc(Cl)sc1Cl ZINC000095589992 KK 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]1CON(C(=S)Nc2ccc(Br)cc2)[C@@H]14 ZINC000095590041 KK Annotated Anodyne Cc1ccc2c(C)c(C(=O)Nc3ccc(N4CCN(C(=O)Nc5ccccc5F)CC4)nc3)oc2c1C ZINC000095590044 KK Annotated Anodyne CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3cccc(F)c3)C[C@H]21 ZINC000095590104 KK Annotated Anodyne CC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1Oc1cncc(Cl)c1 ZINC000095590154 KK Annotated Anodyne COc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095590155 KK Annotated Anodyne Cc1c(C(=O)Nc2ccc(N3CCC(OCc4cccc(C(=O)O)c4)CC3)nc2)oc2ccc(-c3ccccc3)cc12 ZINC000095590181 KK 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]1CON(C(=S)Nc2c(C)cccc2C)[C@@H]14 ZINC000095590210 KK 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]1CON(C(=S)Nc2ccccc2OC)[C@@H]14 ZINC000095590215 KK Annotated Anodyne CN1C[C@](C#N)(C(=O)c2c[nH]c3ccccc23)[C@]2(C(=O)Nc3ccccc32)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000095590236 KK Annotated Mild COc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095590249 KK 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]1CON(C(=S)Nc2cccc(Cl)c2)[C@@H]14 ZINC000095590322 KK Annotated Anodyne COc1cc2c(cc1OC)[C@@H]1[C@@H]3Cc4cc(OC)c(OC)cc4[C@H](CNC(=O)/C=C/c4ccc(C(C)(C)C)cc4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095590323 KK 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]1CON(C(=S)Nc2cccc(OC)c2)[C@@H]14 ZINC000095590343 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc(Br)cc2)nc14 ZINC000095590389 KK Annotated Anodyne N#Cc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4cc([N+](=O)[O-])ccc43)on2)cc1 ZINC000095590415 KK Annotated Mild COCCOC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095590444 KK Annotated Anodyne O=S(=O)(Nc1cc(Cl)c(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000095590535 KK Annotated Anodyne CC(C)=CCC[C@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc4oc(C(=O)c5ccccc5)cc4c3)c2O)O1 ZINC000095590548 KK Annotated Mild CC(C)=CCC[C@@]1(C)C=Cc2c(ccc(C(=O)/C=C/c3ccc4oc(C(=O)c5ccccc5)cc4c3)c2O)O1 ZINC000095590549 KK Annotated Mild CC(C)[C@H](NC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 ZINC000095590617 KK Annotated Mild CCCCCc1ccc(C(=O)NCCn2cc(CCCCCc3cn(-c4ccccc4)c(N)n3)nn2)cc1 ZINC000095590645 KK Annotated Anodyne CCCc1cc2ccccc2nc1-c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095590687 KK Annotated Mild CCCCCC(=O)[C@@H](c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O)c1c(O)c(C(C)C)c(CCC)oc1=O ZINC000095590697 KK Annotated Anodyne CCCCCC(=O)[C@H](c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O)c1c(O)c(C(C)C)c(CCC)oc1=O ZINC000095590698 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2cccc(Br)c2)nc14 ZINC000095590736 KK Annotated Anodyne Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 ZINC000095590760 KK Annotated Anodyne O=C(C[n+]1cn([C@@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc(Br)cc1 ZINC000095590777 KK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2cc3ccccc3o2)c2ccccc21)c1ccc(Br)cc1 ZINC000095590778 KK Annotated Mild CC1=Nc2cc(C(F)(F)F)nn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1c1ncnn1C1CCC(C(F)(F)F)CC1 ZINC000095590801 KK 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]1CON(C(=S)Nc2ccc(Cl)cc2Cl)[C@@H]14 ZINC000095590809 KK Annotated Anodyne COc1cc(-c2nc3ccc(C)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095590810 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC[S@@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095590814 KK Annotated Mild CCCCCCCCCCCCCCCCCC[S@](=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095590815 KK Annotated Mild CCN(CC)CCCOc1cc2oc3cc(OCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000095590826 KK Annotated Bother COc1ccc(C(=O)O[C@H]2C[C@@H]3[C@](C)(CC[C@H](OC(C)=O)[C@@]3(C)COC(C)=O)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]23C)cc1 ZINC000095590887 KK Annotated Anodyne CCCCc1cc2ccccc2nc1-c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095590899 KK Annotated Mild COc1cc(N[C@@H](C)CCCN[C@@H](c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095590991 KK Annotated Bother COc1cc(N[C@H](C)CCCN[C@@H](c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095590992 KK Annotated Bother COc1cc(N[C@@H](C)CCCN[C@H](c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095590993 KK Annotated Bother COc1cc(N[C@H](C)CCCN[C@H](c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095590994 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CON(C(=S)Nc2ccc([N+](=O)[O-])cc2)[C@@H]14 ZINC000095591020 KK Annotated Bother COc1ccc2c(c1)nc(Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n2Cc1cc(-c2ccc(F)cc2)no1 ZINC000095591041 KK Annotated Bother COc1cc(-c2nc3ccc(C)cn3c2NC2CCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095591063 KK 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]1CON(C(=S)Nc2ccccc2F)[C@@H]14 ZINC000095591071 KK Annotated Anodyne CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(F)c(F)c2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095591116 KK Annotated Anodyne CCc1cc2ccccc2nc1-c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095591125 KK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2[N+](=O)[O-])nc14 ZINC000095591137 KK Annotated Bother COc1cc(N2Cc3ccc(Sc4ccc(F)c(Cl)c4)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095591141 KK Annotated Anodyne CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccccc2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095591176 KK Annotated Anodyne COc1cc2nc(NC3C[C@@H]4CC[C@H](C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC ZINC000095591249 KK Annotated Anodyne COC(=O)c1c(C)c(Br)c(Oc2c(Br)c(C)c(Br)c(O)c2Br)c(Br)c1O ZINC000095591259 KK 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]1CON(C(=S)Nc2ccc(OC)cc2)[C@@H]14 ZINC000095591265 KK Annotated Anodyne COc1ccc2c(c1)nc(Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])n2Cc1cc(-c2ccc(C#N)cc2)no1 ZINC000095591287 KK Annotated Mild O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)nc1)c1oc2ccccc2c1C(F)F ZINC000095591291 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2c(C)cccc2C)nc14 ZINC000095591318 KK Annotated Anodyne COc1cc(N[C@@H](C)CCCN[C@@H](c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095591324 KK Annotated Bother COc1cc(N[C@H](C)CCCN[C@@H](c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095591325 KK Annotated Bother COc1cc(N[C@@H](C)CCCN[C@H](c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095591326 KK Annotated Bother COc1cc(N[C@H](C)CCCN[C@H](c2cccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)c2)c2nnnn2C(C)(C)C)c2ncccc2c1 ZINC000095591327 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2cccc([N+](=O)[O-])c2)nc14 ZINC000095591328 KK Annotated Bother CCCOC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095591339 KK Annotated Anodyne COc1ccc(-c2cc(Cn3c(Sc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])nc4cc([N+](=O)[O-])ccc43)on2)cc1 ZINC000095591360 KK Annotated Bother COc1ccc(-c2c(COC(=O)NC(C)C)c(COC(=O)NC(C)C)c3n2Cc2c(c4ccccc4n2C)C3)cc1OC ZINC000095591364 KK Annotated Anodyne CCCCCC(=O)[C@@H](c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O)c1c(O)c(CC)c(C)oc1=O ZINC000095591372 KK Annotated Anodyne CCCCCC(=O)[C@H](c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1O)c1c(O)c(CC)c(C)oc1=O ZINC000095591373 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(Br)ccc32)cc1 ZINC000095591412 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(Br)ccc32)cc1 ZINC000095591413 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(Cl)ccc32)cc1 ZINC000095591418 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(Cl)ccc32)cc1 ZINC000095591419 KK Annotated Anodyne C/C(=N\Nc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cs1)c1ccc2c(c1)CCC2 ZINC000095591432 KK Annotated Mild C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(=O)CCCCCCC)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000095591438 KK Annotated Mild CCN(CC)CCCCCOc1cc2oc3cc(OCCCCCN(CC)CC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000095591464 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2Br)nc14 ZINC000095591536 KK Annotated Anodyne C#C[C@H](O)/C=C/CCCCCCCCC[C@@H](O)CCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000095591537 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12)N1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C[C@H]3CCCN3[C@@]23C(=O)Nc2ccccc23)C1 ZINC000095591558 KK 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]1CON(C(=S)Nc2ccccc2Cl)[C@@H]14 ZINC000095591567 KK Annotated Anodyne Cc1cc2ccccc2nc1-c1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095591619 KK Annotated Mild CC(C)c1ccc(NC[C@H](O)COc2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1 ZINC000095591696 KK Annotated Anodyne CC(C)c1ccc(NC[C@@H](O)COc2ccc3c(c2)OC2(CCN(C(=O)OC(C)(C)C)CC2)CC3=O)cc1 ZINC000095591697 KK Annotated Anodyne CCCCN(CCCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc(O)c(CC=C(C)C)c4O)O[C@]123 ZINC000095591910 KK Annotated Mild CCCC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](OC(C)=O)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(C)=O)[C@@]4(C)CC(=O)[C@]32C)C(C)(C)[C@@H]1OC(=O)CCC ZINC000095591916 KK Annotated Anodyne CCCC[P@](=O)(O)C1=CC[C@H](NC(=O)CCCCCCCCCCNC(=O)c2ccccc2NC)C1 ZINC000095591931 KK Annotated Anodyne CCN(CC)CCOC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000095592032 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)c2c1oc1c3c(c(O)c(C)c12)O[C@](C)(CC/C=C(\C)CCC=C(C)C)C=C3 ZINC000095592054 KK 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]1CON(C(=S)Nc2ccccc2C)[C@@H]14 ZINC000095592080 KK Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2)nc(SCc2ccccc2)nc1N1CCC(Cc2ccccc2)CC1 ZINC000095592139 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCCC#CCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000095592150 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCC#CCCCCCCCCCCC[C@H](O)C#CC#CCO ZINC000095592151 KK Annotated Mild C#C[C@H](O)/C=C/CCCCCCCCCCCC#CCCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000095592152 KK Annotated Mild C#C[C@@H](O)/C=C/CCCCCCCCCCCC#CCCCCCCCCCCC[C@@H](O)C#CC#CCO ZINC000095592153 KK Annotated Mild Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(C)ccc32)cc1 ZINC000095592173 KK Annotated Anodyne Cc1ccc(S(=O)(=O)n2c(CN3C(=O)[C@@]4(NC(=O)c5ccccc5N4)c4ccccc43)cc3cc(C)ccc32)cc1 ZINC000095592174 KK Annotated Anodyne CCCN(CCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc(O)c(CC=C(C)C)c4O[C@]123 ZINC000095592207 KK Annotated Mild CCNC(=O)OCc1c(COC(=O)NCC)c(-c2ccc(OC)cc2)n2c1Cc1c(n(C)c3ccccc13)C2 ZINC000095592211 KK Annotated Anodyne C[C@@]12CC[C@H]3[C@](C)(C1=CC[C@H]2c1ccoc1)[C@H](OC(=O)c1ccncc1)[C@@H]1OC[C@]2(C)C=CC(=O)[C@@]3(C)[C@@H]12 ZINC000095592226 KK Annotated Anodyne CN1C[C@H](c2ccc(N3CCOCC3)cc2)[C@]2(Cc3ccccc3C2=O)[C@]12C(=O)c1cccc3cccc2c13 ZINC000095592247 KK Annotated Anodyne COc1c(OCCCCn2cccn2)cc2oc3cc(OCCCCn4cccn4)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C ZINC000095592292 KK Annotated Bother COc1ccc(CS[C@@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)cc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095592317 KK Annotated Anodyne COc1ccc(CS[C@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)cc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000095592318 KK Annotated Anodyne CC(C)=CC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@H]3[C@@H](O)[C@@]4(C)C5=CC[C@@H](c6ccoc6)[C@]5(C)CC[C@@H]4[C@]1(C)[C@@H]32 ZINC000095592344 KK Annotated Anodyne CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3ccc(C)cc3)C[C@H]21 ZINC000095592390 KK Annotated Anodyne O=[N+]([O-])c1ccc(Sc2nc3cc([N+](=O)[O-])ccc3n2Cc2cc(-c3ccc(F)cc3)no2)c([N+](=O)[O-])c1 ZINC000095592399 KK Annotated Bother CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc(Cl)cc2)nc14 ZINC000095592450 KK Annotated Anodyne COc1cc(-c2nc3ccc(C)cn3c2NC2CCCCC2)ccc1OCCCNC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095592461 KK Annotated Anodyne O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095592482 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2OC)nc14 ZINC000095592488 KK Annotated Anodyne CCOCC(=O)O[C@H]1C[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](OC(=O)COCC)[C@H]([C@@](C)(O)C(=O)CCC(C)(C)OC(=O)COCC)[C@@]4(C)CC(=O)[C@]32C)C(C)(C)[C@@H]1OC(=O)COCC ZINC000095592543 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccccc2F)nc14 ZINC000095592565 KK Annotated Anodyne O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)n1 ZINC000095592679 KK Annotated Anodyne Cc1c(Br)c(O)c(Br)c(Oc2c(Br)c(C)c(Br)c(O)c2Br)c1Br ZINC000095592724 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=O)c2c(OC)ccc(OC)c2C1=O ZINC000095592727 KK Annotated Mild CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cn(C(=S)Nc2ccc(F)cc2)nc14 ZINC000095592775 KK Annotated Anodyne CCCCN(CCCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(O)cc(O)c(CC=C(C)C)c4O[C@]123 ZINC000095592796 KK Annotated Mild COc1cc(N2Cc3ccc(Sc4ccc(F)cc4Cl)nc3C2=O)ccc1OCCN1CCCC1 ZINC000095592812 KK Annotated Anodyne C[C@@H]1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(COc5cccc(C(=O)O)c5)CC4)nc3)o2)C1 ZINC000095592856 KK Annotated Anodyne C[C@H]1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc(N4CCC(COc5cccc(C(=O)O)c5)CC4)nc3)o2)C1 ZINC000095592857 KK Annotated Anodyne CCc1n([C@@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000095592899 KK Annotated Mild CCc1n([C@H](c2ccccc2)c2cc3ccccc3o2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000095592900 KK Annotated Mild CCCCCCN1C(=O)[C@@]2(c3ccccc31)N(C)C[C@](C#N)(C(=O)c1c[nH]c3ccccc13)[C@]21C(=O)Nc2ccccc21 ZINC000095592917 KK Annotated Mild CN(C)CCn1nc2c3c(c(NCCCCc4ccc(N(CCCl)CCCl)cc4)ccc31)C(=O)c1ccncc1-2 ZINC000095592933 KK Annotated Reactive CCCN(CCC)C[C@@H]1[C@H]2CO[C@@]3(CC=C(C)C)C(=O)[C@@H]1C=C1C(=O)c4c(cc(O)c(CC=C(C)C)c4O)O[C@]123 ZINC000095592938 KK Annotated Mild COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCn4ccnc4C)c(OC)c3)C2=O)ccc1OCCCn1ccnc1C ZINC000095593102 KK Annotated Mild COc1ccc(C(OCCN2C[C@](O)(c3ccc(OC)cc3)C[C@H]2CC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095593118 KK Annotated Anodyne C=C(C)n1c(=O)n(CCN2CCC(N(C(=O)CC)c3cc(Cl)ccc3Cl)CC2)c2ccccc21 ZINC000095593297 KK Annotated Mild CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 ZINC000095593298 KK Annotated Reactive CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095593321 KK Annotated Anodyne CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1cccc2ccccc12 ZINC000095593384 KK Annotated Anodyne CC[C@]1(N=C=S)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095593548 KK Annotated Reactive COc1ccc(C(OCCN2C[C@](O)(c3ccc(OC)cc3)C[C@H]2C(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095593552 KK Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccccc2)c2ccccc2O3)cc1 ZINC000095593602 KK Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(COCc5cccnc5)cc4)c3)nn2CCCN2CCSCC2)C1 ZINC000095593711 KK Annotated Mild Cc1cc(OCc2cnnn2-c2cccc(Br)c2COc2cccc(Br)c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095593720 KK Annotated Anodyne Cc1ccc([C@H](CC(=O)C[C@H](c2ccc(C)cc2)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000095593798 KK Annotated Anodyne Cc1ccc([C@H](CC(=O)C[C@@H](c2ccc(C)cc2)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000095593799 KK Annotated Anodyne Cc1ccc([C@@H](CC(=O)C[C@H](c2ccc(C)cc2)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 ZINC000095593800 KK Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCSCC2)C1 ZINC000095593861 KK Annotated Mild COc1ccc(C(OCCN2C[C@@](O)(c3ccc(OC)cc3)C[C@@H]2C(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095593942 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095594042 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 ZINC000095594043 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095594044 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N(C)C)SC2=N[C@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095594045 KK Annotated Anodyne CCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095594046 KK Annotated Anodyne COc1ccc(C(OCCN2C[C@@](O)(c3ccc(OC)cc3)C[C@@H]2CC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095594075 KK Annotated Anodyne O=C(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 ZINC000095594096 KK Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1cc(C(C)(C)C)c2oc(=O)c(-c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000095594154 KK Annotated Anodyne CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1cc(C(C)(C)C)c2oc(=O)c(-c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000095594155 KK Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(C(=O)NCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCSCC2)C1 ZINC000095594212 KK Annotated Mild CCC1=C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)CCCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095594366 KK Annotated Anodyne CCN(CC)CC[C@@H](C)COc1c(I)cc(I)c2cccnc12 ZINC000095594396 KK Annotated Anodyne CCN(CC)CC[C@H](C)COc1c(I)cc(I)c2cccnc12 ZINC000095594397 KK Annotated Anodyne CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)[n+]1ccc(N(C)C)cc1 ZINC000095594411 KK Annotated Reactive CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)[n+]1ccc(N(C)C)cc1 ZINC000095594412 KK Annotated Reactive CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN(C)C4CCCCC4)c(C)c3oc2=O)ccc1O ZINC000095594437 KK Annotated Anodyne Cc1cc(OCc2cnnn2-c2c(Br)ccc(I)c2F)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095594468 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN(C(C)C)C(C)C)c(C)c3oc2=O)ccc1O ZINC000095594501 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNC(C)(C)c4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095594502 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@H](O)CC)cc(=O)oc2c1C(=O)[C@@H](C)CC ZINC000095594772 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@H](O)CC)cc(=O)oc2c1C(=O)[C@H](C)CC ZINC000095594773 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@@H](O)CC)cc(=O)oc2c1C(=O)[C@@H](C)CC ZINC000095594774 KK Annotated Mild CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@@H](O)CC)cc(=O)oc2c1C(=O)[C@H](C)CC ZINC000095594775 KK Annotated Mild C[C@@H](CCNCc1ccc(Cl)cc1)COc1c(I)cc(I)c2cccnc12 ZINC000095594923 KK Annotated Anodyne C[C@H](CCNCc1ccc(Cl)cc1)COc1c(I)cc(I)c2cccnc12 ZINC000095594924 KK Annotated Anodyne CCOC(=O)c1cc2c3ccccc3n(CCCCCn3c4ccccc4c4cc(C(=O)OCC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1 ZINC000095594960 KK Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2ccco2)c2ccccc2O3)cc1 ZINC000095595099 KK Annotated Anodyne COCCN(C)C(=O)[C@@H]1CCCN1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000095595149 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN[C@H](C)c4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095595224 KK Annotated Anodyne COc1ccc(Cc2nc(-c3cc(Br)c(O)c(Br)c3)c[nH]c2=O)cc1Br ZINC000095595272 KK Annotated Anodyne CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)c(NC(=O)c5cccs5)c4)cc2CC3)O1 ZINC000095595287 KK Annotated Anodyne CCCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095595299 KK Annotated Mild CCCCCCCCCCCCCCCCN1C=C(C(=O)OCC)C(c2ccc(OC)cc2)C(C(=O)OCC)=C1 ZINC000095595373 KK Annotated Mild Cc1nccn1CCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCCn4ccnc4C)cc3)C2=O)cc1 ZINC000095595376 KK Annotated Mild CCCCCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095595421 KK Annotated Mild Cc1cc(OCc2cnnn2-c2ccc(Br)c3ccccc23)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095595482 KK Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCC(C(F)(F)F)CC2)C1 ZINC000095595536 KK Annotated Mild CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2C[C@H](C)N[C@H](C)C2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095595599 KK Annotated Anodyne NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCCCC2)C1 ZINC000095595643 KK Annotated Mild NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCC(C(F)(F)F)CC2)C1 ZINC000095595770 KK Annotated Mild CCCO[C@@H]1CON=C2/C(=C/c3ccc(-n4cnc(C)c4)c(OC)c3)CCCN2[C@H]1c1cc(F)cc(F)c1 ZINC000095595782 KK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3ccc(C(F)(F)F)cc3)c(N)c2c1-c1ccccc1I ZINC000095595811 KK Annotated Mild CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN[C@@H]4C[C@H]5CC[C@@H]4C5)c(C)c3oc2=O)ccc1O ZINC000095595858 KK Annotated Anodyne CC(C)C1=C(C(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000095595869 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC[C@@H]4CCCN(C)C4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095595901 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC[C@H]4CCCN(C)C4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095595902 KK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c1-c1ccccc1I ZINC000095595930 KK Annotated Mild N#Cc1c(N)nc2sc(C(=O)c3ccccc3Cl)c(N)c2c1-c1ccccc1I ZINC000095595931 KK Annotated Mild Cc1cc(OCc2cnnn2-c2cc(F)c(F)cc2Br)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095596099 KK Annotated Anodyne COc1ccc(F)c(-n2nncc2COc2cc(C)c3c(c2C)[C@@H]2OC(=O)[C@@H](C)[C@@H]2CC3)c1Br ZINC000095596211 KK Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)CCCN6CCC[C@]43[C@@H]65)C2)C1 ZINC000095596257 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC[C@@H]4CCN(C)C4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095596261 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC[C@H]4CCN(C)C4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095596262 KK Annotated Anodyne COc1ccc(Cc2nc(-c3cc(Br)c(O)c(Br)c3)cnc2Cl)cc1Br ZINC000095596423 KK Annotated Anodyne NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCN(c3ccccc3)CC2)C1 ZINC000095596441 KK Annotated Mild C/C(=C1\CCOC(=O)S1)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C1\CCOC(=O)S1 ZINC000095596463 KK Annotated Anodyne N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c2c1-c1ccccc1Br ZINC000095596471 KK Annotated Mild COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 ZINC000095596477 KK Annotated Anodyne NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCN(c3ccccc3)CC2)C1 ZINC000095596502 KK Annotated Mild COc1c(Br)cc(C)cc1-n1nncc1COc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2 ZINC000095596612 KK Annotated Anodyne CCOC(=O)c1cc2c3ccccc3n(CCCCCCn3c4ccccc4c4cc(C(=O)OCC)nc(-c5cccnc5)c43)c2c(-c2cccnc2)n1 ZINC000095596621 KK Annotated Anodyne CCCCCCCCCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095596636 KK Annotated Mild NC(=O)C(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCSCC2)C1 ZINC000095596657 KK Annotated Mild CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC[C@@H]4CCCNC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095596682 KK Annotated Anodyne CC(=O)Oc1ccc(C(=O)Nc2cc3ccc(OC[C@H]4CCCNC4)c(C)c3oc2=O)cc1CC=C(C)C ZINC000095596683 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095596726 KK Annotated Mild Cc1ccc(I)cc1-n1nncc1COc1cc(C)c2c(c1C)[C@@H]1OC(=O)[C@@H](C)[C@@H]1CC2 ZINC000095596751 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNCc4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095596763 KK Annotated Anodyne CC(C)(C)c1ccc(CC(=O)N2CCC3(CC2)CCN(CNC(=O)c2cccs2)c2ccccc2O3)cc1 ZINC000095596769 KK Annotated Anodyne COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCCn4ccnc4C)c(OC)c3)C2=O)ccc1OCCCCn1ccnc1C ZINC000095596775 KK Annotated Mild N#Cc1c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c2c1-c1ccccc1I ZINC000095596779 KK Annotated Mild CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C4=C[C@H](CC(C)(C)O)OC4=O)CC[C@]23C)C1(C)C ZINC000095596846 KK Annotated Anodyne CCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095596919 KK Annotated Anodyne COc1cc(/C=C2\CC/C(=C\c3ccc(OCCn4ccnc4C)c(OC)c3)C2=O)ccc1OCCn1ccnc1C ZINC000095596927 KK Annotated Mild CC[C@]1(N=[N+]=[N-])C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095596959 KK Annotated Clean COc1ccc(Cc2nc(-c3cc(Br)c(OCCCN(C)C)c(Br)c3)cnc2Cl)cc1Br ZINC000095596998 KK Annotated Anodyne CNCCCOc1c(Br)cc(-c2cnc(Cl)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000095597295 KK Annotated Anodyne C=C(C)[C@H]1CC[C@@](C)(I)[C@H]2CC[C@@](C)(O2)[C@@H](I)CC/C(COC(C)=O)=C/[C@@H]1O ZINC000095597321 KK Annotated Reactive CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN(C)c4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095597323 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN(C)C(C)(C)C)c(C)c3oc2=O)ccc1O ZINC000095597499 KK Annotated Anodyne CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)C[C@]5(CC)CCCN6CCC[C@]43[C@H]65)C2)C1 ZINC000095597534 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095597579 KK Annotated Mild NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNCc5ccc(Cl)cc5)cc4)c3)nn2CCCN2CCOCC2)C1 ZINC000095597799 KK Annotated Mild CC1(C)OC[C@@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccc(F)c(NC(=O)c5ccccc5)c4)cc2CC3)O1 ZINC000095598103 KK Annotated Anodyne C[C@@H]1COCCN1CCCn1nc(-c2ccc(Cl)c(C#Cc3ccc(CNCc4ccc(Cl)cc4)cc3)c2)c2c1CCN(C(=O)C(N)=O)C2 ZINC000095598191 KK Annotated Mild CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C2=C(C(C)C)N3C(=N[C@@](C)(c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)CC1 ZINC000095598259 KK Annotated Anodyne CCCCCCCCC(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@]1(C)O ZINC000095598264 KK Annotated Mild CCCN(CCC)CCCOc1ccc2cc(NC(=O)c3ccc(O)c(CC=C(C)C)c3)c(=O)oc2c1C ZINC000095598286 KK Annotated Anodyne CC[C@]1(SC#N)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095598318 KK Annotated Reactive CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNc4ccccc4)c(C)c3oc2=O)ccc1O ZINC000095598322 KK Annotated Anodyne Cc1cc(OCc2cnnn2-c2cc(F)ccc2I)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 ZINC000095598343 KK Annotated Anodyne Cc1cc(C2=NO[C@@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F ZINC000095598447 KK Annotated Anodyne in-man Cc1cc(C2=NO[C@](c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C(=O)NCC(=O)NCC(F)(F)F ZINC000095598448 KK Annotated Anodyne in-man CCOP(=O)(OCC)C(C)(C)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000095598648 KK Annotated Reactive COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(-c4cnc(OC)nc4)cc3[C@@H]2CC(=O)C2CC2)cc1 ZINC000095598706 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(-c4cnc(OC)nc4)cc3[C@H]2CC(=O)C2CC2)cc1 ZINC000095598707 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095598714 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3cccs3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095598728 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OC)C1=C[C@H](C1CCCC1)O[C@@H]2C ZINC000095598766 KK Annotated Mild CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095598771 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095598794 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095598851 KK Annotated Anodyne CCOC1=C2[C@H]([C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C1)[C@@H](C(C)C)N(S(=O)(=O)c1ccc(C)cc1)[C@H]2c1ccccc1 ZINC000095598975 KK Annotated Anodyne CCOc1ccc(CCN2C(=S)N([C@@H](Cc3ccccc3)CN3CCC[C@@H]3CN3C(=S)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccccc2)cc1 ZINC000095599008 KK Annotated Anodyne COc1ccc(-c2c(C(=O)c3ccc(Br)cc3)[nH]c(N)c2C(=O)c2ccccc2)cc1OC ZINC000095599026 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Br)cc2)c1C(=O)c1ccc(Br)cc1 ZINC000095599038 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095599057 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095599071 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095599074 KK Annotated Anodyne CC1=C(C(=O)N2CCCCCC2)C[C@@H](CC(=O)NCCc2ccccn2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000095599075 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(=O)c3ccco3)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095599120 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(=O)c3ccco3)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095599121 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)/C(=N/CC2CC2)N[C@H]1c1cccc(C(F)(F)F)c1 ZINC000095599122 KK Annotated Mild COC(=O)C1=C(C)N(Cc2cccc(C(F)(F)F)c2)/C(=N/CC2CC2)N[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000095599123 KK Annotated Mild O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095599130 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095599142 KK Annotated Anodyne CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095599245 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@H]1CO2 ZINC000095599286 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@@H]1CO2 ZINC000095599300 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCc3ccc(C)o3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095599326 KK Annotated Anodyne COc1ccc(N2c3ccccc3CN(Cc3ccccc3)[C@@H](C)[C@H]2Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000095599343 KK Annotated Anodyne COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)N(Cc2ccccc2OC)[C@@H]1c1ccc(F)cc1 ZINC000095599351 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC34CC5CC(CC(C5)C3)C4)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095599399 KK Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000095599420 KK Annotated Anodyne CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)N1CCC1=CCCCC1 ZINC000095599421 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3cccc(Cl)c3)CC=C(C(=O)OC(C)(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000095599479 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095599488 KK Annotated Anodyne CN1OC[C@@H]2CN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)C[C@@H]21 ZINC000095599540 KK Annotated Mild CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095599544 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccc(Br)cc2)C1 ZINC000095599582 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccccc4)C[C@@H]3N2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000095599597 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@H]1CO2 ZINC000095599603 KK Annotated Anodyne FC(F)(F)c1ccccc1Cc1c(-c2cccc(Br)c2)nc2ccc(Br)cn12 ZINC000095599616 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCC3CCCCC3)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095599625 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCOCCCC)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095599671 KK Annotated Mild CCOC1=C2[C@@H](CN(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc23)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1 ZINC000095599694 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000095599699 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095599722 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095599727 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4cccs4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095599735 KK Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@H](CCO)N([S@](=O)C(C)(C)C)C3)CC1 ZINC000095599754 KK Annotated Anodyne CN1CCN(C(=O)c2cc3c(c(-c4cccc(-c5cc6ccccc6o5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)CC1 ZINC000095599755 KK Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NCC(F)(F)F)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095599841 KK Annotated Anodyne C[C@@H]1CN(C(=O)CSc2nnc3c4ccccc4n(Cc4cccc(Cl)c4)c3n2)CCN1C(=O)c1ccccc1F ZINC000095599870 KK Annotated Anodyne C[C@H]1CN(C(=O)CSc2nnc3c4ccccc4n(Cc4cccc(Cl)c4)c3n2)CCN1C(=O)c1ccccc1F ZINC000095599871 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095599941 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc4ccccc34)C[C@H]2[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095599944 KK Annotated Anodyne Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c1C(=O)NCc1ccc(Cl)cc1Cl ZINC000095599959 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3OC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@@H]2CC(=O)c2ccccc2)cc1 ZINC000095600035 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2c3ccccc3OC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@H]2CC(=O)c2ccccc2)cc1 ZINC000095600036 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCCCCc2ccccc2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095600037 KK Annotated Mild c1ccc2sc(-c3cc4c(c(O[C@@H]5CCOC5)c3)OCCN(Cc3cccn3-c3nccs3)C4)nc2c1 ZINC000095600053 KK Annotated Anodyne c1ccc2sc(-c3cc4c(c(O[C@H]5CCOC5)c3)OCCN(Cc3cccn3-c3nccs3)C4)nc2c1 ZINC000095600054 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@@H](CC(=O)NCCc2ccccc2OC)C[C@@]2(C(=O)OC)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095600089 KK Annotated Mild CC(C)NC(=O)N1Cc2cc(C(=O)NC3Cc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095600107 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095600122 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(CCC1=CCCCC1)C(=O)[C@H](CC(=O)NCC13CC4CC(CC(C4)C1)C3)C2 ZINC000095600173 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(CC)cc3)C[C@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(CC)cc2)C1 ZINC000095600176 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(CC)cc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@@H](c2ccc(CC)cc2)C1 ZINC000095600178 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095600207 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095600208 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(OC)cc3[C@@H]2CC(=O)c2ccco2)cc1 ZINC000095600246 KK Annotated Anodyne COC(=O)c1ccc(N2C(c3cc(OC)cc(OC)c3)=Cc3ccc(OC)cc3[C@H]2CC(=O)c2ccco2)cc1 ZINC000095600247 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1 ZINC000095600255 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@@H]1c1cccc(F)c1 ZINC000095600256 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4ccncc4)c3)c2[C@H]1CCO ZINC000095600340 KK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccccc3n2[C@@H](CCc2ccccc2)c2nc3ccccc3[nH]2)cc(C(F)(F)F)c1 ZINC000095600370 KK Annotated Anodyne FC(F)(F)c1cc(Cc2nc3ccccc3n2[C@H](CCc2ccccc2)c2nc3ccccc3[nH]2)cc(C(F)(F)F)c1 ZINC000095600371 KK Annotated Anodyne CCCCCCCCN1C[C@H](Cc2cc3ccccc3c3ccccc23)N(c2ccccc2)c2ccccc2C1=O ZINC000095600375 KK Annotated Mild CCCCCCCCN1C[C@@H](Cc2cc3ccccc3c3ccccc23)N(c2ccccc2)c2ccccc2C1=O ZINC000095600376 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccccn3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@H]1CCO ZINC000095600429 KK Annotated Anodyne CCOC1=C2[C@@H]([C@@H](c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2C1 ZINC000095600446 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095600514 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095600520 KK Annotated Anodyne COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4cnc(N5CCOCC5)nc4)ccc3n2C)c1 ZINC000095600531 KK Annotated Anodyne COC[C@H]1CCCN1c1ccc2c(c1)O[C@H](COCc1ccccc1)CN([C@@H](C)c1ccccc1)S2(=O)=O ZINC000095600537 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095600621 KK Annotated Anodyne CCOC(=O)C1=CC[C@@H](c2ccccc2C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C#N)cc1 ZINC000095600636 KK Annotated Mild COC(=O)C1(C(=O)OC)C[C@H](/C=C/c2ccccc2)N(Cc2ccccc2OC)[C@@H]1c1cccc(Br)c1 ZINC000095600647 KK Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCCCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095600725 KK Annotated Anodyne Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600726 KK Annotated Anodyne Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCCC3)C2=S)cc1 ZINC000095600727 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095600760 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095600789 KK Annotated Anodyne Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000095600790 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095600796 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095600838 KK Annotated Anodyne COc1cc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@H]3c3c[nH]c4ccc(C#N)cc34)cc2)cc(OC)c1OC ZINC000095600847 KK Annotated Mild COc1cc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@@H]3c3c[nH]c4ccc(C#N)cc34)cc2)cc(OC)c1OC ZINC000095600848 KK Annotated Mild CCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095600855 KK Annotated Anodyne C#CCN(C[C@H]1[C@H](OC(=O)NCC2CCCCC2)[C@H](OC(=O)NCC2CCCCC2)C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12)S(=O)(=O)c1ccc(C)cc1 ZINC000095600961 KK Annotated Mild C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1N(C)C(=O)OCc1ccccc1 ZINC000095600966 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(=O)c3ccco3)N2c2ccc(-c3ccc(C(N)=O)cc3)cc2)c1 ZINC000095600991 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(=O)c3ccco3)N2c2ccc(-c3ccc(C(N)=O)cc3)cc2)c1 ZINC000095600992 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)CC[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000095601004 KK Annotated Anodyne CCCCCCCCCCSc1nc(SCCCCCCCCCC)c2ncn(COCCO)c2n1 ZINC000095601026 KK Annotated Mild CC[C@@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc(N(C)Cc5ccccc5)nc4)cc3)cc2S1(=O)=O ZINC000095601046 KK Annotated Anodyne CC[C@H](C(=O)O)N1Cc2sc(-c3ccc(-c4ccc(N(C)Cc5ccccc5)nc4)cc3)cc2S1(=O)=O ZINC000095601047 KK Annotated Anodyne CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCC(c3ccccc3)CC1)C2 ZINC000095601243 KK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@H]3CC(=O)c3ccco3)cc2)cn1 ZINC000095601276 KK Annotated Anodyne COc1ncc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@@H]3CC(=O)c3ccco3)cc2)cn1 ZINC000095601277 KK Annotated Anodyne O=C(c1ccccc1-n1cccn1)N1CCOc2c(cc(-c3ncc(C(F)(F)F)cc3Cl)cc2OC[C@@H]2CCCO2)C1 ZINC000095601320 KK Annotated Anodyne O=C(c1ccccc1-n1cccn1)N1CCOc2c(cc(-c3ncc(C(F)(F)F)cc3Cl)cc2OC[C@H]2CCCO2)C1 ZINC000095601321 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095601348 KK Annotated Anodyne Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccccc4)Oc4nc5oc(=O)c(C#N)c(N)c5c(N)c43)c2c1 ZINC000095601396 KK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccccc4)Oc4nc5oc(=O)c(C#N)c(N)c5c(N)c43)c2c1 ZINC000095601397 KK Annotated Mild N=C(NCCCNCCCCN(CCCNC(=N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000095601429 KK Annotated Anodyne CC(C)CCCC(=O)Nc1cccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)c1 ZINC000095601437 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(C34CC5CC(CC(C5)C3)C4)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000095601575 KK Annotated Reactive CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O ZINC000095601582 KK Annotated Reactive COc1ccc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@H]3c3c[nH]c4ccccc34)cc2)cc1 ZINC000095601625 KK Annotated Anodyne COc1ccc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@@H]3c3c[nH]c4ccccc34)cc2)cc1 ZINC000095601626 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccccc2)C1 ZINC000095601691 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccccc4C)[C@H]3C[C@H]2c2ccccc2)cc1 ZINC000095601698 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095601730 KK Annotated Mild Nc1nc(=O)[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095601738 KK Annotated Anodyne Nc1nc(=O)[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095601739 KK Annotated Anodyne CCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095601748 KK Annotated Mild CN1C(=O)[C@H](Cc2ccc(F)cc2)O[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095601779 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095601784 KK Annotated Mild COc1ccc(C[C@@H]2O[C@@H](c3ccc(Br)cc3)[C@@H](c3ccc(Br)cc3)N(C)C2=O)cc1 ZINC000095601925 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095601939 KK Annotated Mild COc1cc(-c2ccc(N3C(c4ccsc4)=Cc4ccccc4[C@H]3CC(C)=O)cc2)cc(OC)c1OC ZINC000095601976 KK Annotated Anodyne COc1cc(-c2ccc(N3C(c4ccsc4)=Cc4ccccc4[C@@H]3CC(C)=O)cc2)cc(OC)c1OC ZINC000095601977 KK Annotated Anodyne Cc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@H](c4ccc(Cl)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095602022 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000095602054 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095602055 KK Annotated Anodyne CN1C(=O)[C@@H](Cc2ccccc2)O[C@H](c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000095602153 KK Annotated Anodyne CCCCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095602154 KK Annotated Mild CCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095602172 KK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c([C@@H]3C=C(c4ccc(Cl)cc4)Oc4nc5oc(=O)c(C#N)c(N)c5c(N)c43)c2c1 ZINC000095602181 KK Annotated Mild Cc1ccc2[nH]c(-c3ccccc3)c([C@H]3C=C(c4ccc(Cl)cc4)Oc4nc5oc(=O)c(C#N)c(N)c5c(N)c43)c2c1 ZINC000095602182 KK Annotated Mild CN1C(=O)[C@H](Cc2ccccc2)O[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095602236 KK Annotated Anodyne COc1ccc(Cc2c(-c3cccc(Br)c3)nc3c(C)cc(Br)cn23)c(C)c1 ZINC000095602376 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095602420 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4cccc5ccccc45)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000095602421 KK Annotated Anodyne Cn1oc2cc3c(c4cccc(c1=O)c24)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000095602469 KK Annotated Reactive Brc1cc(Br)c2c(SCc3ccc(-c4cccc(-c5nnn[nH]5)c4)cc3)nc(CCc3ccccc3)nc2c1 ZINC000095602499 KK Annotated Anodyne C=CCc1ccc(O)c(-c2cc([C@H]3O[C@H](c4ccc(O)c(-c5cc(CC=C)ccc5O)c4)[C@@H](C)O[C@@H]3C)ccc2O)c1 ZINC000095602551 KK Annotated Mild O[C@@H](CNc1ccccc1)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNc4ccccc4)cc3OC2)cc1 ZINC000095602556 KK Annotated Anodyne O[C@H](CNc1ccccc1)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNc4ccccc4)cc3OC2)cc1 ZINC000095602557 KK Annotated Anodyne O[C@@H](CNc1ccccc1)COc1ccc(C2=Cc3ccc(OC[C@@H](O)CNc4ccccc4)cc3OC2)cc1 ZINC000095602558 KK Annotated Anodyne O[C@@H](CNc1ccccc1)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CNc3ccccc3)cc1)=C2 ZINC000095602559 KK Annotated Anodyne CC(=O)Oc1ccc2ccccc2c1/N=N/c1ccc(C2=N/C(=C/c3ccc(OC(F)(F)F)cc3)C(=O)O2)cc1 ZINC000095602601 KK Annotated Clean Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccccc34)c3c(nc4oc(=O)c(C#N)c(N)c4c3N)O2)cc1 ZINC000095602634 KK Annotated Mild Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccccc34)c3c(nc4oc(=O)c(C#N)c(N)c4c3N)O2)cc1 ZINC000095602635 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3ccc(C(=O)O)cc3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000095602643 KK Annotated Reactive C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095602672 KK Annotated Anodyne CC(=O)Oc1c(/N=N/c2ccc(C3=N/C(=C/c4ccc(OC(F)(F)F)cc4)C(=O)O3)cc2)ccc2ccccc12 ZINC000095602828 KK Annotated Clean N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccc(Cl)cc1)=C[C@H]3c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000095602845 KK Annotated Mild N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccc(Cl)cc1)=C[C@@H]3c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000095602846 KK Annotated Mild Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(C)cc34)c3c(nc4oc(=O)c(C#N)c(N)c4c3N)O2)cc1 ZINC000095602864 KK Annotated Mild Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(C)cc34)c3c(nc4oc(=O)c(C#N)c(N)c4c3N)O2)cc1 ZINC000095602865 KK Annotated Mild CC(C)SC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095602893 KK Annotated Reactive O=S(=O)(O)c1ccc(NC(=S)N(CCc2ccccc2)C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 ZINC000095603235 KK Annotated Anodyne O=S(=O)(O)c1ccc(NC(=S)N(CCc2ccccc2)C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)cc1 ZINC000095603236 KK Annotated Anodyne Cc1ccc(C2=C[C@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(nc4oc(=O)c(C#N)c(N)c4c3N)O2)cc1 ZINC000095603249 KK Annotated Mild Cc1ccc(C2=C[C@@H](c3c(-c4ccccc4)[nH]c4ccc(Cl)cc34)c3c(nc4oc(=O)c(C#N)c(N)c4c3N)O2)cc1 ZINC000095603250 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cnc4ccccc4c3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000095603289 KK Annotated Reactive CCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095603295 KK Annotated Mild COc1cc(OC)cc(C2=Cc3ccccc3[C@H](CC(=O)c3ccco3)N2c2ccc(-c3cccnc3)cc2)c1 ZINC000095603359 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccccc3[C@@H](CC(=O)c3ccco3)N2c2ccc(-c3cccnc3)cc2)c1 ZINC000095603360 KK Annotated Anodyne COC(=O)[C@@]12C[C@@H](CC(=O)NCc3cccc4ccccc34)C(=O)N(Cc3cccc4ccccc34)C1=CCC(C)(C)C2 ZINC000095603363 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095603451 KK Annotated Anodyne COC(=O)[C@]12C[C@H](CC(=O)NCC3CCCCC3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095603456 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095603492 KK Annotated Mild CCCCCCNC[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNCCCCCC)cc3OC2)cc1 ZINC000095603561 KK Annotated Anodyne CCCCCCNC[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNCCCCCC)cc3OC2)cc1 ZINC000095603562 KK Annotated Anodyne CCCCCCNC[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)CNCCCCCC)cc3OC2)cc1 ZINC000095603563 KK Annotated Anodyne CCCCCCNC[C@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CNCCCCCC)cc1)=C2 ZINC000095603564 KK Annotated Anodyne N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccc(Cl)cc1)=C[C@H]3c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000095603566 KK Annotated Mild N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccc(Cl)cc1)=C[C@@H]3c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000095603567 KK Annotated Mild C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)Sc2ccccc2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000095603610 KK Annotated Reactive CCCCCCCCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095603636 KK Annotated Mild COc1ccc(CN2C(=O)[C@@H](CC(=O)NCCCCc3ccccc3)CC(C(=O)N3CCCCCC3)=C2C)cc1 ZINC000095603682 KK Annotated Anodyne COc1ccc(CN2C(=O)[C@H](CC(=O)NCCCCc3ccccc3)CC(C(=O)N3CCCCCC3)=C2C)cc1 ZINC000095603683 KK Annotated Anodyne N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccccc1)=C[C@H]3c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000095603876 KK Annotated Mild N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccccc1)=C[C@@H]3c1c(-c2ccccc2)[nH]c2ccccc12 ZINC000095603877 KK Annotated Mild Cn1oc2cc3c(c4cccc(c1=O)c24)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 ZINC000095603910 KK Annotated Reactive CCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095603912 KK Annotated Mild CN1C[C@H](Cc2ccccc2)O[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095603974 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCC23CC4CC(CC(C4)C2)C3)C[C@@]2(C(=O)OCC)CCC=C12 ZINC000095604033 KK Annotated Mild Cc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccccc2F)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095604060 KK Annotated Anodyne CCOC1=C2[C@H](c3ccccc3)N(S(=O)(=O)c3ccc(C)cc3)[C@H](C(C)C)[C@H]2C(C#N)(C#N)C(C#N)(C#N)C1 ZINC000095604067 KK Annotated Mild COC(=O)[C@]12C[C@H](CC(=O)NCc3ccccc3)C(=O)N(CCC3=CCCCC3)C1=C[C@H](C(C)(C)C)O[C@@H]2C ZINC000095604077 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(Cl)c(Cl)c3)CC=C(C(=O)OC(C)(C)C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000095604096 KK Annotated Anodyne CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095604135 KK Annotated Reactive N=C(NCCCCN(CCC/N=C(\N)Nc1ccc2ccccc2c1)C(=N)Nc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 ZINC000095604141 KK Annotated Mild CCCCCCCCCCCCCCCC[C@@]1(C(=O)OCC)CCC[C@H]1O[P@@](=O)(O)OCC[N+](C)(C)C ZINC000095604148 KK Annotated Mild CCOc1cc(-c2ccccc2)nc2c1CN(S(=O)(=O)c1ccc(C)cc1)[C@H](c1cccc(Cl)c1)C2 ZINC000095604284 KK Annotated Anodyne CCOc1cc(-c2ccccc2)nc2c1CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](c1cccc(Cl)c1)C2 ZINC000095604285 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@@H](c2ccc(Cl)cc2)N3S(=O)(=O)c2ccccc2C)cc1 ZINC000095604290 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cccnc3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000095604477 KK Annotated Reactive CC(=O)O[C@H]1CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)C/C=C/C=C(/C#N)[C@H](OC(C)=O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@@H]1C ZINC000095604523 KK Annotated Reactive Oc1ccc(C[C@@H](CN2CCC[C@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604541 KK Annotated Anodyne Oc1ccc(C[C@@H](CN2CCC[C@@H]2CN2C(=S)NC[C@@H]2Cc2ccccc2)N2C[C@H](Cc3ccccc3)N(CC3CCCCC3)C2=S)cc1 ZINC000095604542 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@H]3C(=O)C[C@@H](c4ccc(Cl)cc4)N(S(=O)(=O)c4ccc(C)cc4)[C@H]3C[C@H]2c2cccc3ccccc23)cc1 ZINC000095604561 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@@H](CC(C)=O)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095604577 KK Annotated Anodyne COc1cc(OC)cc(C2=Cc3ccc(OC)cc3[C@H](CC(C)=O)N2c2ccc(-c3cncnc3)cc2)c1 ZINC000095604578 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@H]1c1cccc(Cl)c1 ZINC000095604588 KK Annotated Anodyne COC(=O)C1=C(C)N(Cc2ccc(C(F)(F)F)cc2)C(NCc2ccccc2)=N[C@@H]1c1cccc(Cl)c1 ZINC000095604589 KK Annotated Anodyne CC[C@@H](c1nc2ccccc2[nH]1)N(C(=O)Cc1cc(OC)cc(OC)c1)c1ccc(N2CCOCC2)cc1 ZINC000095604621 KK Annotated Anodyne CC[C@H](c1nc2ccccc2[nH]1)N(C(=O)Cc1cc(OC)cc(OC)c1)c1ccc(N2CCOCC2)cc1 ZINC000095604622 KK Annotated Anodyne COc1cccc(C[C@@H]2O[C@@H](c3ccc(Br)cc3)[C@@H](c3ccc(Br)cc3)N(C)C2=O)c1 ZINC000095604666 KK Annotated Anodyne C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2ccccc2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 ZINC000095604722 KK Annotated Reactive N=C(NCCCCN(CCC/N=C(\N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 ZINC000095604735 KK Annotated Mild CC(C)=CCC/C(C)=C/CN1C(=O)N(c2ccc(F)cc2)[C@H]2C[C@@H](c3ccccc3)[C@@H](C)[C@@H](C(=O)N3CCOCC3)C[C@H]21 ZINC000095604858 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CNC(=O)C[C@H]1C[C@H](C(=O)N2CCCCC2)[C@@]2(C)c3[nH]c4ccc(Cl)cc4c3CCN2C1=O ZINC000095604868 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)NCc2cccc3ccccc23)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095604901 KK Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095604912 KK Annotated Anodyne C=CCc1ccc2c(c1)-c1cc([C@@H](O)[C@H](C)O)ccc1Oc1ccc(CC=C)cc1-c1cc([C@@H](O)[C@H](C)O)ccc1O2 ZINC000095604938 KK Annotated Mild CCCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095604941 KK Annotated Reactive Nc1nc(=S)[nH]c2c1[C@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095605063 KK Annotated Anodyne Nc1nc(=S)[nH]c2c1[C@@H](c1c(-c3ccccc3)[nH]c3ccc(Cl)cc13)C=C(c1ccc(Cl)cc1)O2 ZINC000095605064 KK Annotated Anodyne CCCCCCCCN1C(=O)[C@H](CC(=O)N2CCC(c3ccccc3)CC2)C[C@@]2(C(=O)OC)CC(C)(C)CC=C12 ZINC000095605104 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095605110 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095605111 KK Annotated Anodyne FC(F)C(F)(F)Oc1cccc(Nc2nccn3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cnc23)c1 ZINC000095605127 KK Annotated Mild O=C(O)c1ccc(-c2ccc([C@@H](Nc3ccccc3F)C(=O)N3CCC[C@H]3c3ccccc3F)cc2)cc1 ZINC000095605248 KK Annotated Anodyne O=C(O)c1ccc(-c2ccc([C@H](Nc3ccccc3F)C(=O)N3CCC[C@H]3c3ccccc3F)cc2)cc1 ZINC000095605249 KK Annotated Anodyne C=CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095605296 KK Annotated Reactive CN1C(=O)[C@H](Cc2ccc(Br)cc2)O[C@@H](c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 ZINC000095605305 KK Annotated Anodyne CCCCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095605317 KK Annotated Reactive CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(Cl)c3)C[C@@H]2N(S(=O)(=O)c2ccc(C)cc2)[C@H](c2ccncc2)C1 ZINC000095605399 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095605402 KK Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3Cc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@@H]1CCO ZINC000095605403 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2[C@H](c3ccc(C(C)C)cc3)CC=C(C(=O)OC(C)(C)C)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000095605434 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4Cl)N(S(=O)(=O)c4ccc(C)cc4)[C@@H]3C[C@@H]2c2ccccc2)cc1 ZINC000095605441 KK Annotated Anodyne CCc1ccc([C@@H]2CC(=O)[C@@H]3CN(S(=O)(=O)c4ccccc4C)[C@H](c4ccc(Cl)cc4)C[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095605451 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N2C[C@@H]3C(=O)C[C@@H](c4ccccc4)N(S(=O)(=O)c4ccc(CCCOCCOCCNC(=O)OC(C)(C)C)cc4)[C@@H]3C[C@@H]2c2ccccc2)cc1 ZINC000095605478 KK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@H]3c3c[nH]c4ccc(C#N)cc34)cc2)cc1F ZINC000095605483 KK Annotated Mild CCOC(=O)c1ccc(-c2ccc(N3C(c4ccsc4)=Cc4ccc(F)cc4[C@@H]3c3c[nH]c4ccc(C#N)cc34)cc2)cc1F ZINC000095605484 KK Annotated Mild CCCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095605500 KK Annotated Reactive CC(C)(C)OC(=O)N1CC(=O)N[C@H](c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 ZINC000095605504 KK Annotated Anodyne N=C(NCCCNCCCCN(CCCNC(=N)Nc1cccc2ccccc12)C(=N)Nc1cccc2ccccc12)Nc1cccc2ccccc12 ZINC000095605567 KK Annotated Anodyne CCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 ZINC000095605632 KK Annotated Reactive COc1ccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095605651 KK Annotated Anodyne Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)N(Cc3ccccc3C(F)(F)F)C2)n1 ZINC000095605656 KK Annotated Anodyne CCc1ccc([C@@H]2C[C@@H]3[C@@H](CN2S(=O)(=O)c2ccc(C)cc2)C(=O)C[C@H](c2ccc(CC)cc2)N3S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000095605665 KK Annotated Anodyne CCOC1=C2CN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C[C@@H]2N(S(=O)(=O)c2ccc(Br)cc2)[C@H](c2ccccc2)C1 ZINC000095605694 KK Annotated Anodyne COc1ccc(-c2nc3cc(C)c(Br)c(C)n3c2Cc2ccccc2C(F)(F)F)cc1OC ZINC000095605711 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@H]1CO2 ZINC000095605737 KK Annotated Anodyne COc1ccc(C(=O)c2[nH]c(N)c(C(=O)NCCc3c[nH]c4ccccc34)c2-c2c(F)cccc2Cl)cc1 ZINC000095605750 KK Annotated Anodyne O=C(CCc1ccc(Oc2cc(Oc3ccc(Cl)cc3C3CCCCC3)cc([N+](=O)[O-])c2)cc1)NCCS(=O)(=O)O ZINC000095605824 KK Annotated Bother N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccccc1)=C[C@H]3c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000095605827 KK Annotated Mild N#Cc1c(N)c2c(N)c3c(nc2oc1=O)OC(c1ccccc1)=C[C@@H]3c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 ZINC000095605828 KK Annotated Mild N#CCCO[P@](=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)Oc1cccc(Cl)c1 ZINC000095605958 KK Annotated Mild N#CCCO[P@@](=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc32)c2ccccc12)Oc1cccc(Cl)c1 ZINC000095605959 KK Annotated Mild COC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(C(=O)OC)c(O)c3)[nH]c3ccccc23)cc1O ZINC000095605962 KK Annotated Reactive O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000095605967 KK Annotated Reactive O=C(O)[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1cccc(Cl)c1 ZINC000095606017 KK Annotated Anodyne C=C1[C@@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)O[C@H]2[C@@H]1O ZINC000095606019 KK Annotated Mild CC(C)[C@H](NC(=O)CN(C(=O)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C1CCCCCC1)C(=O)C(F)(F)F ZINC000095606026 KK Annotated Mild CC(C)[C@@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C1CCCCCC1 ZINC000095606027 KK Annotated Mild CC(C)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C1CCCCCC1 ZINC000095606028 KK Annotated Mild CC(C)[C@H](NC(=O)c1ccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)N(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C1CCCCCC1 ZINC000095606029 KK Annotated Mild O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000095606031 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000095606039 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000095606063 KK Annotated Reactive O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000095606069 KK Annotated Bother O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc(Br)cc1 ZINC000095606070 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000095606076 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000095606078 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000095606079 KK Annotated Anodyne O=C(COc1c(I)cc2c(c1I)CN(C(=O)/C=C/c1ccc(Br)cc1)[C@H](C(=O)O)C2)OCc1ccccc1 ZINC000095606081 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1cccc(F)c1 ZINC000095606089 KK Annotated Anodyne Cc1ccc(/C=C/C(=O)N2Cc3c(cc(I)c(OCc4ccc(C(F)(F)F)cc4)c3I)C[C@H]2C(=O)O)cc1 ZINC000095606095 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1cccc(Br)c1 ZINC000095606098 KK Annotated Anodyne CCOC(=O)CCCCO/N=C(\c1ccc(CC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000095606156 KK Annotated Mild CCOC(=O)CCCCO/N=C(\c1ccc(CC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000095606157 KK Annotated Mild CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(CCCC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000095606167 KK Annotated Mild CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(CCCC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000095606168 KK Annotated Mild O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000095606209 KK Annotated Reactive CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@](CC(=O)O)(C(=O)O)[C@H]1C(=O)O ZINC000095606214 KK Annotated Anodyne in-vitro CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCCCC(=O)Nc3cccc(Sc4ccccc4[N+](=O)[O-])c3)c2)CC1 ZINC000095606281 KK Annotated Bother CCCCCCCCCCCCCCCCNC(=O)CCCC(=O)Nc1cccc(Sc2ccc(Br)cc2NC(=O)CCN2CCN(C)CC2)c1 ZINC000095606286 KK Annotated Mild C=C1C[C@@H]2C/C=C\C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C/c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/c1coc(C[C@]2(O)C[C@H](OC)C[C@H](CO)O2)n1)[C@@H]3C ZINC000095606291 KK Annotated Mild COc1cc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000095606298 KK Annotated Reactive COc1cc([C@@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000095606299 KK Annotated Reactive COc1cc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000095606300 KK Annotated Reactive CO[C@@H]1[C@@H](C)O[C@@H](OC[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)[C@@H](OC(=O)OCc2ccccc2)[C@@H]1OC(=O)OCc1ccccc1 ZINC000095606303 KK Annotated Mild Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1NCCCCCCNC(=O)CCNc1ccc([N+](=O)[O-])c2nonc12 ZINC000095606328 KK Annotated Bother CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@@H](O)[C@@H](C)C[C@@H](C)CO)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606329 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@@H](O)[C@@H](C)C[C@@H](C)CO)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606330 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](CO)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606347 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](CO)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606348 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(/C(=N\Nc3ccccc3)[C@@H](O)c3ccc([C@H](O)/C(=N/Nc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 ZINC000095606368 KK Annotated Mild O=[N+]([O-])c1ccc2nc(/C(=N\Nc3ccccc3)[C@H](O)c3ccc([C@@H](O)/C(=N/Nc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 ZINC000095606369 KK Annotated Mild O=[N+]([O-])c1ccc2nc(/C(=N\Nc3ccccc3)[C@@H](O)c3ccc([C@@H](O)/C(=N/Nc4ccccc4)c4nc5ccc([N+](=O)[O-])cc5nc4O)cc3)cnc2c1 ZINC000095606370 KK Annotated Mild CC[N+](C)(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCC[N+](C)(CC)Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F ZINC000095606371 KK Annotated Bother CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606373 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5OC(=O)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606382 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)C(=O)O)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5OC(=O)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606383 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](CO)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606388 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](CO)(OC)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095606389 KK Annotated Anodyne CCCCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1 ZINC000095606410 KK Annotated Anodyne CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)[C@H](C)CC)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000095606418 KK Annotated Anodyne CCc1c(Cc2cc(C)cc(C)c2)n(COCc2ccc(O[P@](=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]3C=C[C@H](n4cc(C)c(=O)[nH]c4=O)O3)cc2)c(=O)[nH]c1=O ZINC000095606447 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606487 KK Annotated Bother O=C1c2ccccc2C(=O)N1CCCCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606488 KK Annotated Bother O=C1c2cccc3cccc(c23)C(=O)N1CCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606496 KK Annotated Bother O=C1c2cccc3cccc(c23)C(=O)N1CCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095606508 KK Annotated Bother CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CCC(c2ccccc2O)=N1)C(=O)O[C@@H](C(C)C)[C@@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095606538 KK Annotated Mild CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CCC(c2ccccc2O)=N1)C(=O)O[C@H](C(C)C)[C@@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095606539 KK Annotated Mild CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CCC(c2ccccc2O)=N1)C(=O)O[C@@H](C(C)C)[C@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095606540 KK Annotated Mild CCCCCCCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CCC(c2ccccc2O)=N1)C(=O)O[C@H](C(C)C)[C@H](C)C(=O)N[C@H]1CCCCN(O)C1=O ZINC000095606541 KK Annotated Mild O=C(NCc1ccncc1)[C@@H]1CCCCN1[C@@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000095606618 KK Annotated Anodyne O=C(NCc1ccncc1)[C@@H]1CCCCN1[C@H]1c2ccc(Cl)cc2CCc2cc(Br)cnc21 ZINC000095606619 KK Annotated Anodyne COc1ccc([C@@H]2C[C@@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000095606629 KK Annotated Reactive COc1ccc([C@H]2C[C@@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000095606630 KK Annotated Reactive COc1ccc([C@@H]2C[C@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000095606631 KK Annotated Reactive COc1ccc([C@H]2C[C@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 ZINC000095606632 KK Annotated Reactive CN(C)CCn1[nH]c2c3cc(O)ccc3nc3c(C(=O)NCCCN(C)CCCNC(=O)c4ccc5c6c4nc4ccc(O)cc4c6[nH]n5CCN(C)C)ccc1c32 ZINC000095606641 KK Annotated Bother CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 ZINC000095606642 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000095606643 KK Annotated Reactive CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 ZINC000095606645 KK Annotated Reactive CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc(Oc2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000095606686 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)Cc1ccc(C(=O)c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000095606695 KK Annotated Anodyne Oc1ccc2ccccc2c1OCc1nnc(CCCCCCCCc2nnc(COc3c(O)ccc4ccccc34)n2Nc2ccccc2)n1Nc1ccccc1 ZINC000095606704 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CC1c2ccccc2-c2ccccc21)C[C@H]1OC[C@]13OC(C)=O ZINC000095606709 KK Annotated Anodyne Oc1c(OCc2nnc(CCCCCCCCc3nnc(COc4ccc5ccccc5c4O)n3Nc3ccccc3)n2Nc2ccccc2)ccc2ccccc12 ZINC000095606718 KK Annotated Anodyne COc1ccccc1CN1CCN(c2nc(N3CCN(Cc4ccccc4OC)CC3)nc(-n3nc(-c4cc(OC)c(OC)c(OC)c4)cc3SC)n2)CC1 ZINC000095606746 KK Annotated Anodyne O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(NCCCl)(NCCCl)=N[P@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000095606770 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(NCCCl)(NCCCl)=N[P@@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000095606771 KK Annotated Reactive O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(NCCCl)(NCCCl)=N[P@@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 ZINC000095606772 KK Annotated Reactive CC(=O)O[C@@]1([C@@H]2C(C)=C(O)C(=O)C3=C(C)[C@@H](OC(=O)/C=C/c4ccc(Sc5ccccc5)cc4)C[C@@](O)([C@H]2OC(=O)c2ccccc2)C3(C)C)CO[C@@H]1CCO ZINC000095606813 KK Annotated Mild C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cccc23)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000095606833 KK Annotated Reactive C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cccc23)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000095606834 KK Annotated Reactive C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cccc23)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000095606835 KK Annotated Reactive CCCCCC(=O)N(CC(=O)N(CCCc1ccccc1)CC(=O)N(CC(=O)N(CCCc1ccccc1)CC(N)=O)CC(C)C)Cc1ccc(CP(=O)(O)O)cc1 ZINC000095606846 KK Annotated Anodyne C=C(CC)C(=O)c1ccc(OCC(=O)NCc2cc(CNC(=O)COc3ccc(C(=O)C(=C)CC)c(Cl)c3Cl)cc(C(N)=O)c2)c(Cl)c1Cl ZINC000095606899 KK Annotated Mild CCCCCCCCCCCCCCCCCC[C@@H](OC(C)=O)C(=O)N[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](CCCCCCCCCCCCCCCCCC)OC(C)=O ZINC000095606907 KK Annotated Mild CC(C)(C)c1cc(NC(=O)CCCN)c(SCCN)c(NC(=O)c2cccc(C(=O)Nc3cc(C(C)(C)C)cc(NC(=O)CCCN)c3SCCN)c2)c1 ZINC000095606909 KK Annotated Anodyne CCCC[C@@H]1CN([C@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095606914 KK Annotated Anodyne COc1c(C)c(OC)c2c(c1O)[C@@H]1[C@@H]3Cc4c(OC)c(C)c(OC)c(O)c4[C@H](CNC(=O)c4cc5cc(OC6CCOCC6)ccc5o4)N3[C@@H](C#N)[C@H](C2)N1C ZINC000095606918 KK Annotated Mild CC(C)OC(=O)OCOP(=O)(OCOC(=O)OC(C)C)C(Cc1cccc(C#N)c1)P(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C ZINC000095606922 KK Annotated Mild N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC2CCCCC2)CN1[C@H](CC1CCCCC1)CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095606937 KK Annotated Anodyne N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC2CCCCC2)CN1[C@H](CC1CCCCC1)CN1CCC[C@@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095606938 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000095606940 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000095606941 KK Annotated Anodyne CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCNC(=N)N)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCN)C2 ZINC000095606972 KK Annotated Anodyne Cc1cc2c(cc1C)COc1ccccc1C(=O)N(c1ccccc1)CCNC(=O)COc1ccccc1OCC(=O)NCCN(c1ccccc1)C(=O)c1ccccc1OC2 ZINC000095606988 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)O ZINC000095607040 KK Annotated Mild COc1ccc(CN(CCN(C)CCCCCCNC(=O)c2ccc(-c3c4ccc(=[N+](C)C)cc-4oc4cc(N(C)C)ccc34)c(C(=O)O)c2)c2ccccn2)cc1 ZINC000095607075 KK Annotated Bother COc1ccc(CN(CCN(C)CCCCCCNC(=O)c2ccc(-c3c4ccc5cc(O)ccc5c4oc4c3ccc3cc(=O)ccc34)c(C(=O)O)c2)c2ccccn2)cc1 ZINC000095607098 KK Annotated Bother C[C@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607132 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607133 KK Annotated Anodyne C[C@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607134 KK Annotated Anodyne C[C@@H](C(=O)O)c1ccc([C@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607135 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000095607259 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1CN(C(=O)c2cc(OC)c(OC)c(OC)c2)CCN1C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000095607260 KK Annotated Mild Oc1c(O)c(Br)c(COCc2c(Br)c(O)c(O)c(Br)c2Br)c(Br)c1Br ZINC000095607290 KK Annotated Clean CCOC(=O)NC[C@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095607327 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(Cc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(Cc3ccccc3)oc2=S)cc1 ZINC000095607360 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](c2ccccc2)n2nc(Cc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](c2ccccc2)n2nc(Cc3ccccc3)oc2=S)cc1 ZINC000095607361 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](c2ccccc2)n2nc(Cc3ccccc3)oc2=S)cc1)c1ccc(N[C@H](c2ccccc2)n2nc(Cc3ccccc3)oc2=S)cc1 ZINC000095607362 KK Annotated Anodyne O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(c3c[nH]c(Cc4ccccc4)n3)CC2)[C@@H](c2ccccc2)C1 ZINC000095607386 KK Annotated Anodyne CCCCCCCCCC[C@H](O)COCCOC[C@@H](O)CCCCCCCCCCCCC1=C[C@H](C)N(CCCNC(=O)CCCCCNC(=O)OC(C)(C)C)C1=O ZINC000095607515 KK Annotated Mild CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095607556 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)NCCCN(C[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21)C(=O)CCCCCCCCCCCCCCC ZINC000095607562 KK Annotated Mild CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095607585 KK Annotated Anodyne CCCCCCCCOc1ccc(NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@]2(O)C[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 ZINC000095607623 KK Annotated Mild CCCCCCCCOc1ccc(NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@]2(O)C[C@@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 ZINC000095607624 KK Annotated Mild CC(C)[C@H]1OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2ccccc2)N(C)C1=O ZINC000095607714 KK Annotated Anodyne CCN1/C(=C/C=C/C2=[N+](CCCCCC(=O)NCCCC(=O)OCC[N+](C)(C)C)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 ZINC000095607726 KK Annotated Clean O=C(CCCCCCNC(=O)c1ccc(NCc2cn(CCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5ccccc45)c(C(=O)O)c3)nn2)cc1)NO ZINC000095607757 KK Annotated Bother CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)C1CCCCC1 ZINC000095607827 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)C1CCCCC1 ZINC000095607828 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)C1CCCCC1 ZINC000095607829 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)C1CCCCC1 ZINC000095607830 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000095607866 KK Annotated Anodyne aggregator CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000095607867 KK Annotated Anodyne aggregator CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000095607868 KK Annotated Anodyne aggregator CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(-c2ccccc2)cc1 ZINC000095607869 KK Annotated Anodyne aggregator CC(=O)O[C@@]12CO[C@@H]1CC[C@@]1(C)[C@@H]3OC(C)(C)O[C@@H]3C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccncc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C ZINC000095607881 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)Nc4ccc(F)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095607885 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)Nc4ccc(F)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095607886 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)Nc4ccc(F)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095607887 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)Nc4ccc(F)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095607888 KK Annotated Mild CC[C@@H]([C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@H](O)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccc(OC)cc1)[C@H](O)[C@H](C)/C=C(C)/C=C(\OC)C(=O)OC ZINC000095607925 KK Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCCN(C)CCCNc4ccc5c6c(nn5CCN(CC)CC)-c5cnccc5C(=O)c46)ccc31)C(=O)c1ccncc1-2 ZINC000095608043 KK Annotated Clean CCN(CC)CCN(C)C(=O)N([C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000095608105 KK Annotated Anodyne CCN(CC)CCN(C)C(=O)N([C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 ZINC000095608106 KK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)OC)c4C)c(C(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000095608107 KK Annotated Bother COc1ccccc1C1(/C(O)=N/S(=O)(=O)Cc2ccc(N3Cc4c(c(OCC(F)(F)F)c5cccnc5c4OCC(F)(F)F)C3=O)c(C)c2)CC1 ZINC000095608109 KK Annotated Mild CN(C)CCCn1nc2c3c(c(NCCCN(C)CCCNc4ccc5c6c(nn5CCCN(C)C)-c5cnccc5C(=O)c46)ccc31)C(=O)c1ccncc1-2 ZINC000095608111 KK Annotated Clean CCN(CC)CCNc1ccc(NCCCN(C)CCCNc2ccc(NCCN(CC)CC)c3c2C(=O)c2ccncc2C3=O)c2c1C(=O)c1cnccc1C2=O ZINC000095608115 KK Annotated Clean CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)/C=C/c1ccc2ccccc2c1)C[C@H]1OC[C@]13OC(C)=O ZINC000095608121 KK Annotated Anodyne CCN(CC)CCNc1ccc(NCCCN(C)CCCNc2ccc(NCCN(CC)CC)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O ZINC000095608129 KK Annotated Clean CCN(CC)CCCNc1ccc(NCCCN(C)CCCNc2ccc(NCCCN(CC)CC)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O ZINC000095608141 KK Annotated Clean COc1cc([N+](=O)[O-])c(OC)cc1-c1nc2sc(Cl)cn2c1/C=N\NC(=N)N/N=C\c1c(-c2cc(OC)c([N+](=O)[O-])cc2OC)nc2sc(Cl)cn12 ZINC000095608151 KK Annotated Mild CCCCCCC[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)O[C@@]8(C)[C@@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2CC[C@]1(C)O ZINC000095608181 KK Annotated Mild C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095608187 KK Annotated Reactive C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095608188 KK Annotated Reactive C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O ZINC000095608189 KK Annotated Reactive CC(C)(C)C(=O)Oc1cc(C(=O)c2ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c2OC(=O)C(C)(C)C)cc(OC(=O)C(C)(C)C)c1OC(=O)C(C)(C)C ZINC000095608199 KK Annotated Anodyne O=C(O)c1ccc(/C2=C3\C=CC(=N3)/C(c3ccc(C(=O)O)cc3)=c3/cc/c([nH]3)=C(\c3ccc(C(=O)O)cc3)[C@H]3C=C[C@@H](N3)/C(c3ccc(C(=O)O)cc3)=C3/C=CC2=N3)cc1 ZINC000095608203 KK Annotated Anodyne C[C@@H](NC(=O)[C@@](C)(Cc1cn(C(=O)OCOC(=O)c2ccc(COP(=O)(O)O)cc2)c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1 ZINC000095608235 KK Annotated Anodyne C=CC/C=C\C=C/[C@H]1O[C@H]2C[C@H]3O[C@H]4CC[C@H]5O[C@H]6C[C@@]7(C)O[C@@]8(C)[C@@H](O)C[C@H](CCCO)O[C@@H]8C[C@@H]7O[C@@H]6C[C@@H]5O[C@]4(C)C[C@]3(C)O[C@@H]2CC[C@]1(C)O ZINC000095608260 KK Annotated Mild Cc1nccn1CCCCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCCCCn4ccnc4C)cc3)C2=O)cc1 ZINC000095608409 KK Annotated Mild O=S(=O)(NS(=O)(=O)N1CCc2ccc(Cl)c(SC(F)(F)C(F)F)c2C1)N1CCc2ccc(Cl)c(SC(F)(F)C(F)F)c2C1 ZINC000095608418 KK Annotated Mild CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000095608490 KK Annotated Anodyne CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095608503 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095608504 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095608505 KK Annotated Mild CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)N[C@H](CCC(=O)O)C(=O)NC ZINC000095608506 KK Annotated Mild CCOC(=O)CCCC/[N+]([O-])=C(/c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000095608507 KK Annotated Mild CCOC(=O)CCCC/[N+]([O-])=C(/c1cccnc1)c1cccc(COC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000095608508 KK Annotated Mild CCCCCCO[C@H](C)c1c(C)c2cc3nc(c4c(=O)n(CCCCCC)c(=O)c5c(C)c(cc6[nH]c(cc1n2)c(C)c6CC)[nH]c45)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000095608533 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc2[nH]1 ZINC000095608537 KK Annotated Reactive CC(=O)O[C@H](C[C@@H](C)[C@H]1C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O[C@H]5OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H]1OC1(C)C ZINC000095608583 KK Annotated Anodyne CC(=O)O[C@@H]1[C@@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)C[C@@H](OC(C)=O)[C@@H]6OC6(C)C)C(=O)[C@H](OC(C)=O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)OC[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000095608585 KK Annotated Anodyne COC(=O)[C@@H](CCNC(=O)c1ccccc1C(=O)O)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br ZINC000095608596 KK Annotated Anodyne COC(=O)[C@H](CCNC(=O)c1ccccc1C(=O)O)Oc1c(Br)cc(-c2ccc(-c3c(Cc4ccccc4)sc4ccccc34)cc2)cc1Br ZINC000095608597 KK Annotated Anodyne CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000095608606 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2F)cn1 ZINC000095608630 KK Annotated Anodyne C=CCOC(=O)CCC[C@@H]1CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]2O[C@@H]2c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O ZINC000095608633 KK Annotated Mild CCOC(=O)c1ccc(N(CCCCCCCCCCCP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OCc2ccccc2)cc1 ZINC000095608679 KK Annotated Reactive O=C(CCCC[C@@H]1SC[C@@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1)OCc1cccc(Br)c1 ZINC000095608682 KK Annotated Anodyne O=C(CCCC[C@@H]1SC[C@H]2[C@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1)OCc1cccc(Br)c1 ZINC000095608683 KK Annotated Anodyne O=C(CCCC[C@@H]1SC[C@@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1)OCc1cccc(Br)c1 ZINC000095608684 KK Annotated Anodyne O=C(CCCC[C@@H]1SC[C@H]2[C@@H]1N(Cc1cccc(Br)c1)C(=O)N2Cc1cccc(Br)c1)OCc1cccc(Br)c1 ZINC000095608685 KK Annotated Anodyne Fc1cccc(F)c1-c1c2ccc(n2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc([nH]2)c(-c2c(F)cccc2F)c2ccc1n2 ZINC000095608727 KK Annotated Mild Fc1ccc(-c2c3ccc(n3)c(-c3ccc(F)cc3F)c3ccc([nH]3)c(-c3ccc(F)cc3F)c3ccc([nH]3)c(-c3ccc(F)cc3F)c3ccc2n3)c(F)c1 ZINC000095608749 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4o3)ccc2[nH]1 ZINC000095608750 KK Annotated Reactive C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1[C@@H](OCc1ccccc1)[C@@H]2OC(C)=O ZINC000095608769 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4cn3)ccc2[nH]1 ZINC000095608781 KK Annotated Reactive CN([C@@H](Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccc2cnccc12 ZINC000095608795 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)ccc2[nH]1 ZINC000095608824 KK Annotated Reactive CCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OCCCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000095608851 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095608877 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@H]3CC[C@@H]4CCCC[C@@H]4C3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095608878 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CC[C@H]4CCCC[C@@H]4C3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095608879 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@H]3CC[C@H]4CCCC[C@@H]4C3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095608880 KK Annotated Anodyne O=P(OCCCCCCCCCCCCCCCCCCCCCCOP(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000095608902 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 ZINC000095609577 KK Annotated Reactive COC(=O)c1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]cc(C(=O)OC)c32)cc1 ZINC000095609673 KK Annotated Reactive c1ccc(COc2cc3c(c(OCc4ccccc4)c2OCc2ccccc2)-c2c(cc(OCc4ccccc4)c(OCc4ccccc4)c2OCc2ccccc2)COC3)cc1 ZINC000095609706 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609743 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609744 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609745 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609746 KK Annotated Mild O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000095609809 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000095609810 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000095609811 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000095609812 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(OC)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@@H]4C[C@H](C(C)=O)[C@H]3N(CC5)C4)C[C@H]1[C@]2(CO)C(=O)OC ZINC000095609815 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609824 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609825 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609826 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)NCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609827 KK Annotated Mild CCCCC(=O)OCC(=O)C1=Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](/N=C(\O)C(F)(F)C(F)(F)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095609852 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/P(=O)(OCC)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609860 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/P(=O)(OCC)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609861 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/P(=O)(OCC)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609862 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/P(=O)(OCC)OCC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609863 KK Annotated Mild CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1 ZINC000095609869 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609882 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095609883 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609884 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\CCC)C(=O)NC(C)(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095609885 KK Annotated Mild CCCCCCCCSCc1c(O)c(CSCCCCCCCC)c2c(c1O)C[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](c1cc(O)c(O)c(O)c1)O2 ZINC000095609933 KK Annotated Mild [N-]=[N+]=Nc1ccc(C(=O)NCCCNCCCCCCNCCCCCCCCNCCCCCCNCCCNC(=O)c2ccc(N=[N+]=[N-])cc2O)c(O)c1 ZINC000095609934 KK Annotated Mild COc1cc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C(Sc2ccccc2)(Sc2ccccc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000095609964 KK Annotated Anodyne COc1cc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C(Sc2ccccc2)(Sc2ccccc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000095609965 KK Annotated Anodyne COc1cc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C(Sc2ccccc2)(Sc2ccccc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000095609966 KK Annotated Anodyne COc1cc(C[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C(Sc2ccccc2)(Sc2ccccc2)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000095609967 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H]1C1(c2ccc3c(c2OC)OCO3)SCCCS1 ZINC000095609968 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H]1C1(c2ccc3c(c2OC)OCO3)SCCCS1 ZINC000095609969 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H]1C1(c2ccc3c(c2OC)OCO3)SCCCS1 ZINC000095609970 KK Annotated Anodyne CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)[C@@H]1C1(c2ccc3c(c2OC)OCO3)SCCCS1 ZINC000095609971 KK Annotated Anodyne CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2nc(-c3ccc(C4=NO[C@H](C(=O)O)C4)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000095609988 KK Annotated Mild CCCCCCCCCCCCCCCCNC(=O)/C=C/c1ccc(-c2nc(-c3ccc(C4=NO[C@@H](C(=O)O)C4)cc3)[nH]c2-c2ccc(/C=C/C(=O)O)cc2)cc1 ZINC000095609989 KK Annotated Mild COc1ccc(C(=O)OC[C@H]2O[C@@H](n3nc(C)c4c(Cl)c5cc(OC)ccc5nc43)[C@H](OC(=O)c3ccc(OC)cc3)[C@@H]2OC(=O)c2ccc(OC)cc2)cc1 ZINC000095610128 KK Annotated Anodyne O=C(NCCCCCCCCNC(=O)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1)N(/C(=N/C1CCCCC1)N1CCOCC1)C1CCCCC1 ZINC000095610179 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095610202 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095610203 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095610204 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NC(C)(C)C(=O)OC)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095610205 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(S(C)(=O)=O)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095610210 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(S(C)(=O)=O)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095610211 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(S(C)(=O)=O)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095610212 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)N4CCN(S(C)(=O)=O)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095610213 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000095610272 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C(=O)NC)[C@@H](OC(C)=O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3OC(C)=O ZINC000095610273 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCOCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095610314 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCOCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095610315 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCOCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095610316 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)OCCOCCO)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095610317 KK Annotated Mild COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H](COC(=O)[C@@H]4OC(C)(C)N(C(C)=O)[C@H]4c4ccccc4)[C@H]4OC(C)(C)O[C@@H]43)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000095610433 KK Annotated Anodyne COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@H](COC(=O)[C@@H]4OC(C)(C)N(C(C)=O)[C@H]4c4ccccc4)[C@@H]4OC(C)(C)O[C@@H]43)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000095610435 KK Annotated Anodyne COc1ccc(C(Nc2nc3c(ncn3[C@@H]3O[C@@H](COC(=O)[C@@H]4OC(C)(C)N(C(C)=O)[C@H]4c4ccccc4)[C@@H]4OC(C)(C)O[C@@H]43)c(=O)[nH]2)(c2ccccc2)c2ccccc2)cc1 ZINC000095610436 KK Annotated Anodyne CCc1c(C)c2[nH]c1cc1[nH]c(cc3nc4c(c5nc(c2C=O)[C@@H](C)[C@@H]5CCC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CCc4c3C)C(=O)[C@]1(C)CC ZINC000095610601 KK Annotated Bother COC(=O)Oc1cc(Cl)c(Cl)c(C(=O)N(C)CCCN(CC(=O)O)C(=O)c2c(Cl)c(Cl)cc(OC(=O)OC)c2OC(=O)OC)c1OC(=O)OC ZINC000095610637 KK Annotated Anodyne CC1=C2[C@@H](Sc3ccccc3)[C@H](OCCO)C3=C([C@H](OCc4ccccc4)[C@](O)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NCc1ccccc1)c1ccccc1)C2(C)C)[C@@](C)(O)CCC3 ZINC000095610710 KK Annotated Anodyne COc1ccccc1CN1CCCCCCCCN(Cc2ccccc2OC)C(=O)CCCCCNCc2cccc(c2)Cc2cccc(c2)CNCCCCCC1=O ZINC000095610842 KK Annotated Anodyne CC[C@H]1[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@H](OC)[C@@H]([C@@H](C)COC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@H]1O ZINC000095610846 KK Annotated Anodyne CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC/C=C(\C)CCC=C(C)C ZINC000095610848 KK Annotated Anodyne CC[C@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cncn1C/C=C(\C)CCC/C=C(\C)CCC=C(C)C ZINC000095610849 KK Annotated Anodyne COc1c2occ(F)c2c(OC)c2c(=O)cc(CN3CCC(CCC4CCN(Cc5cc(=O)c6c(OC)c7c(F)coc7c(OC)c6o5)CC4)CC3)oc12 ZINC000095610942 KK Annotated Anodyne Cc1cc(NCCCCCCCCCCNc2cc(C)[n+](CCC(c3ccccc3)c3ccccc3)c3ccccc23)c2ccccc2[n+]1CCC(c1ccccc1)c1ccccc1 ZINC000095611018 KK Annotated Anodyne CO[C@@H](C(=O)O[C@@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@H](NCc1ccccc1)c1ccccc1 ZINC000095611116 KK Annotated Anodyne CO[C@H](C(=O)O[C@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@H](NCc1ccccc1)c1ccccc1 ZINC000095611117 KK Annotated Anodyne CO[C@H](C(=O)O[C@@H]1C[C@@](O)([C@H](C)Oc2ccccc2)C(C)(C)C([C@@H](OC(C)=O)C(=O)[C@@]2(C)C[C@]3(OC(C)=O)CO[C@@H]3C[C@@H]2O)=C1C)[C@H](NCc1ccccc1)c1ccccc1 ZINC000095611118 KK Annotated Anodyne CC1(C)CC(=O)c2c(cc(SSc3cc4c(c(-c5ccc(Br)cc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccc(Br)cc2)C1 ZINC000095611185 KK Annotated Reactive CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095611258 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095611259 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@H]1c1ccc(OC(=O)CCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095611261 KK Annotated Anodyne CC(C)[C@H]1C(=O)N[C@H](CO)[C@@H]1c1ccc(OC(=O)CCCCCCCCCCCCC(=O)Oc2ccc([C@@H]3[C@@H](CO)NC(=O)[C@@H]3C(C)C)c3ccccc23)c2ccccc12 ZINC000095611262 KK Annotated Anodyne CCOC(=O)Nc1cc(COC(=O)CCCC(=O)Nc2cc(-c3cc(C(=O)NCCN(C)C)n(C)c3)n(C)c2)cc(Nc2c3ccccc3nc3ccccc23)c1 ZINC000095611467 KK Annotated Clean NS(=O)(=O)c1cc(S(N)(=O)=O)c(/N=C(\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000095611468 KK Annotated Mild Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000095611508 KK Annotated Clean CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[P@](=O)(O)C/C=C(\C)CC/C=C(/C)CCC=C(C)C)C(C)C)C(C)C)C(=O)OCOCC(=O)C(C)(C)C ZINC000095611550 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095611567 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095611568 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095611569 KK Annotated Anodyne O=C(O)c1cc(NC(=O)[C@@H](Cc2ccccc2F)NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 ZINC000095611570 KK Annotated Anodyne COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5nn4)ccc2[nH]1)N3C=O ZINC000095611904 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5nn4)ccc2[nH]1)N3C=O ZINC000095611905 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4o3)ccc2[nH]1 ZINC000095611926 KK Annotated Reactive CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)NCCNCCN)c5C)c(CC)c4C)c(C)c3CCC(=O)NCCNCCN ZINC000095611931 KK Annotated Bother Oc1ccc(O)c(-c2c3ccc(n3)c(-c3cc(O)ccc3O)c3ccc([nH]3)c(-c3cc(O)ccc3O)c3ccc([nH]3)c(-c3cc(O)ccc3O)c3ccc2n3)c1 ZINC000095611932 KK Annotated Bother COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)c(OC)c(OC)cc4[nH]3)ccc2[nH]1 ZINC000095611945 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c6ccccn6)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095611967 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c6ccccn6)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095611968 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c6ccccn6)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095611969 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)N4CCN(c6ccccn6)CC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095611970 KK Annotated Mild CCCCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000095611971 KK Annotated Mild O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(Cl)cc3Cl)c(I)c2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000095612028 KK Annotated Bother CCOC(=O)CCCCO/N=C(\c1ccc(COCC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000095612038 KK Annotated Mild CCOC(=O)CCCCO/N=C(\c1ccc(COCC(=O)N2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)cc1)c1cccnc1 ZINC000095612039 KK Annotated Mild O=C(O)[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000095612047 KK Annotated Bother Cc1ccc(/C=C/C(=O)N2Cc3c(cc(I)c(OCc4ccc(Cl)cc4Cl)c3I)C[C@H]2C(=O)O)cc1 ZINC000095612053 KK Annotated Anodyne O=C(O)[C@@H]1Cc2cc(I)c(OCc3ccc(C(F)(F)F)cc3)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000095612066 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000095612080 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@H](C)C3=O ZINC000095612081 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@H](C)[C@@H](C)C4=O)O[C@@H](C)[C@@H](C)C3=O ZINC000095612082 KK Annotated Anodyne CC(=O)Oc1cc(OC(C)=O)c2c(OC(C)=O)c3c(cc2c1-c1c(OC(C)=O)cc(OC(C)=O)c2c(OC(C)=O)c4c(cc12)O[C@@H](C)[C@@H](C)C4=O)O[C@H](C)[C@H](C)C3=O ZINC000095612083 KK Annotated Anodyne Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCO[P@@](=O)(OCCC#N)Oc3cccc(Cl)c3)c3ccccc32)c2ccccc12 ZINC000095612094 KK Annotated Mild Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCO[P@](=O)(OCCC#N)Oc3cccc(Cl)c3)c3ccccc32)c2ccccc12 ZINC000095612095 KK Annotated Mild CCc1c(C)c2cc3nc(c(C(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@]1(C)C5=CC=C(C(=O)OC)[C@@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCCC(=O)OC)[C@@H]3C ZINC000095612098 KK Annotated Bother COc1ccc(CCN(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(=O)[C@H](NC(=O)c2ccc(/C(O)=N/S(=O)(=O)c3ccc(Cl)cc3)cc2)C(C)C)cc1OC ZINC000095612100 KK Annotated Mild COc1ccc(CCN(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(=O)[C@@H](NC(=O)c2ccc(/C(O)=N/S(=O)(=O)c3ccc(Cl)cc3)cc2)C(C)C)cc1OC ZINC000095612101 KK Annotated Mild COc1ccc(CCN(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C(=O)[C@@H](NC(=O)c2ccc(/C(O)=N/S(=O)(=O)c3ccc(Cl)cc3)cc2)C(C)C)cc1OC ZINC000095612102 KK Annotated Mild NS(=O)(=O)c1cc(S(N)(=O)=O)c(/N=C(\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1Cl ZINC000095612112 KK Annotated Mild O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095612116 KK Annotated Anodyne Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H]4COC(C)(C)N4C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000095612130 KK Annotated Clean Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(OCCSC(=O)C(C)(C)C)Oc3ccc(C[C@H]4COC(C)(C)N4C(=O)OC(C)(C)C)cc3)O2)c(=O)[nH]c1=O ZINC000095612131 KK Annotated Clean CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(CCCCN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@H](C)c3nnc(C)n3-4)C2)c1 ZINC000095612137 KK Annotated Mild CCOC(=O)CCCCO/N=C(/c1cccnc1)c1cccc(CCCCN2CCc3c(sc4c3C(c3ccccc3Cl)=N[C@@H](C)c3nnc(C)n3-4)C2)c1 ZINC000095612138 KK Annotated Mild CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(Cl)cc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095612150 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(Cl)cc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095612151 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccccc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095612152 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccccc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095612153 KK Annotated Anodyne CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@@](CC(=O)O)(C(=O)O)[C@H]1C(=O)O ZINC000095612195 KK Annotated Anodyne O=C(O)c1ccc(-c2c3ccc(n3)c(-c3ccc(C(=O)O)cc3)c3ccc([nH]3)c(-c3ccc(C(=O)O)cc3)c3ccc([nH]3)c(-c3ccc(C(=O)O)cc3)c3ccc2n3)cc1 ZINC000095612203 KK Annotated Bother O=C(O)c1cc2ccc1OCc1ccc(cc1)COc1ccc(cc1C(=O)O)Cc1ccc(c(C(=O)O)c1)OCc1ccc(cc1)COc1ccc(cc1C(=O)O)C2 ZINC000095612224 KK Annotated Anodyne COc1ccc2c(-c3cc(C(F)(F)F)c(C#N)c(-c4cn(S(=O)(=O)c5ccc(C)cc5)c5cc(OC)ccc45)n3)cn(S(=O)(=O)c3ccc(C)cc3)c2c1 ZINC000095612232 KK Annotated Mild COc1ccc2c(c1)c(-c1cc(C(F)(F)F)c(C#N)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)c4ccc(OC)cc34)n1)cn2S(=O)(=O)c1ccc(C)cc1 ZINC000095612238 KK Annotated Mild Cc1[nH]/c(=N/S(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)/N=c4/[nH]c(C)c(C)o4)cc3)cc2)oc1C ZINC000095612298 KK Annotated Reactive CCOC(=O)CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(C=C[C@H](C)[C@@H]([C@H](C)CC)O4)O3)OC(=O)[C@@H]3C=C(C)[C@@H](O)[C@H]4OC/C(=C\C=C\[C@@H]2C)[C@@]34O)C[C@@H]1OC ZINC000095612320 KK Annotated Anodyne CCC1CCN(c2c3c(O)c4c(O)c(C)c5c(c4c2O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@H](C)[C@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C/C=C(/C)C(=O)N3)O5)CC1 ZINC000095612359 KK Annotated Anodyne CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)c3ccccc3[C@H]1OC(C)=O)C2(C)C ZINC000095612399 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)COC(=O)C(C)C)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095612409 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)COC(=O)C(C)C)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095612410 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000095612413 KK Annotated Anodyne COc1ccc(OC)c(CCNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)c1 ZINC000095612440 KK Annotated Reactive Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@H](N)CO)c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095612448 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccccc3NC(=O)[C@H](N)CO)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095612450 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3ccc4ccccc4c3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OCc2ccccc2)[C@]23OC(=O)O[C@H]2[C@H](OC(C)=O)C(C)=C1C3(C)C ZINC000095612469 KK Annotated Anodyne COc1ccc(CCn2c(C(=O)NNCCCCCCSC(C)=O)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC ZINC000095612488 KK Annotated Reactive CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095612492 KK Annotated Anodyne CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CO)O2)O[C@@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CO)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C ZINC000095612493 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)COc1ccc2ccccc2c1)C[C@H]1OC[C@]13OC(C)=O ZINC000095612495 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCCCCN1CCN(CC/N=c2/cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2ccc(Cl)cc2)CC1 ZINC000095612520 KK Annotated Bother Clc1ccc(OCc2nnc(CCCCCCCCc3nnc(COc4ccc(Cl)cc4Cl)n3Nc3ccccc3)n2Nc2ccccc2)c(Cl)c1 ZINC000095612525 KK Annotated Anodyne CCCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)[C@H]1C[C@@H](C(=O)N(CCC)Cc2ccc(Oc3ccccc3)cc2)[C@@](CC(=O)O)(C(=O)O)[C@@H]1C(=O)O ZINC000095612528 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2[nH]c(C(=O)NCCNC(=O)c3cc(OC[C@]4(c5ccc(-c6ccccc6)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000095612571 KK Annotated Mild C=C(Br)C(=O)Nc1ccc2[nH]c(C(=O)NCCNC(=O)c3cc(OC[C@@]4(c5ccc(-c6ccccc6)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000095612572 KK Annotated Mild CCOC(=O)CN1C(=O)/C(=C(\C)c2cccc(NS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)cc4)cc3)c2)SC1=S ZINC000095612575 KK Annotated Clean C=C(Br)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCNC(=O)c1cc(OC[C@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)nn1C)n2C ZINC000095612606 KK Annotated Mild C=C(Br)C(=O)Nc1ccc2c(c1)cc(C(=O)NCCNC(=O)c1cc(OC[C@@]3(c4ccc(-c5ccccc5)cc4)CC(=C)C(=O)O3)nn1C)n2C ZINC000095612607 KK Annotated Mild C=C(Br)C(=O)Nc1ccc2oc(C(=O)NCCNC(=O)c3cc(OC[C@]4(c5ccc(-c6ccccc6)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000095612633 KK Annotated Mild C=C(Br)C(=O)Nc1ccc2oc(C(=O)NCCNC(=O)c3cc(OC[C@@]4(c5ccc(-c6ccccc6)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000095612634 KK Annotated Mild C=C1[C@H](OC[C@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000095612639 KK Annotated Mild C=C1[C@H](OC[C@@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@@H]2[C@H]1OC(C)=O ZINC000095612640 KK Annotated Mild C=C1[C@H](OC[C@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2[C@H]1OC(C)=O ZINC000095612641 KK Annotated Mild C=C1[C@H](OC[C@@H](C)CC)[C@@H](O)[C@@H](OC(=O)c2cccnc2)C(C)(C)/C=C\[C@H](C)[C@H](OC(C)=O)[C@@]2(O)C[C@@](C)(OC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H]2[C@H]1OC(C)=O ZINC000095612642 KK Annotated Mild CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)/C=C/c3cccc4ccccc34)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095612664 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CCc1c(F)c(F)c(F)c(F)c1F)C[C@H]1OC[C@]13OC(C)=O ZINC000095612670 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OC(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095612678 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(=O)/C=C/c4ccc(Oc5ccccc5)cc4)C(=C1C)C2(C)C)[C@@H](OC(C)=O)C[C@H]1OC[C@]13OC(C)=O ZINC000095612681 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CCC[C@H]4CCCC[C@H]34)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095612733 KK Annotated Anodyne CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CC[C@@H]3CCC[C@@H]4CCCC[C@@H]43)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)C2CCCCC2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C ZINC000095612735 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)CCc1ccc(Cc2ccccc2)cc1)C[C@H]1OC[C@]13OC(C)=O ZINC000095612737 KK Annotated Anodyne Cc1cc2c(cc1C)COc1ccccc1C(=O)Nc1ccccc1SCc1ccc(cc1)-c1ccc(cc1)CSc1ccccc1NC(=O)c1ccccc1OC2 ZINC000095612797 KK Annotated Anodyne CC(=O)N[C@@H](Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000095612826 KK Annotated Reactive CC(=O)N[C@@H](Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 ZINC000095612827 KK Annotated Anodyne CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(C[C@@H](O)C[C@@H](Cc2cc3ccncc3o2)C(=O)N[C@H]2c3ccccc3OC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000095612837 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@H]1CO ZINC000095612876 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCc2ccc(F)cc2)/C=C/C(C)=C/[C@@H]1CO ZINC000095612877 KK Annotated Mild CC(C)NC(=O)CN1CCN([C@H](C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095612922 KK Annotated Bother CC(C)NC(=O)CN1CCN([C@@H](C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)cc2C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095612923 KK Annotated Bother N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](CC2CCCCC2)CN1[C@H](CC1CCCCC1)CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095612926 KK Annotated Anodyne N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](CC2CCCCC2)CN1[C@H](CC1CCCCC1)CN1CCC[C@@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095612927 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C/C(C)=C/[C@H]1CO ZINC000095612931 KK Annotated Anodyne CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@@H]2O)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=N\OCCOc2ccccc2)/C=C/C(C)=C/[C@@H]1CO ZINC000095612932 KK Annotated Mild COc1c(C)c(OC)c(OC)c2c1C=C1[C@H]3c4c(c(OC)c(C)c(OC)c4OC)C[C@@H](C(=O)N1[C@H]2CN1C(=O)c2ccccc2C1=O)N3C(=O)OC(C)C ZINC000095612941 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OCc3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](OC(=O)COc1cccc2ccccc12)C[C@H]1OC[C@]13OC(C)=O ZINC000095612942 KK Annotated Anodyne CC(C)Cc1ccc([C@@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000095612944 KK Annotated Anodyne CC(C)Cc1ccc([C@H](C)CN2C(=N)N([C@H](Cc3ccc4ccccc4c3)CN3CCC[C@@H]3CN3C(N)=NC[C@@H]3Cc3ccccc3)C[C@@H]2CC2CCCCC2)cc1 ZINC000095612945 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000095612955 KK Annotated Anodyne C[C@H]1CN=C(N)N1C[C@H]1CCCN1C[C@@H](Cc1ccc2ccccc2c1)N1C[C@@H](CC2CCCCC2)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=N ZINC000095612956 KK Annotated Anodyne COc1cc2c(cc1OCCCCOc1ccc(OCCCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)c3c1C(=O)c1ccccc1C3=O)N=C[C@@H]1CCCN1C2=O ZINC000095612991 KK Annotated Clean C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[C@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)C=C1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC)C1CCCCC1)C(C)(C)C)C(=O)O ZINC000095612992 KK Annotated Mild O=C(Oc1cccc2cccnc12)c1cc2c(cc1Cl)SC(N(c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)s1)=NS2(=O)=O ZINC000095613040 KK Annotated Anodyne CC[C@@H]1c2cc3[nH]c4c(c5nc(cc6[nH]c(cc(n2)[C@H]1C)c([C@@H](C)OC)c6C)[C@@H](C)[C@@H]5CCC(=O)OC)c(=O)n(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c(=O)c4c3C ZINC000095613052 KK Annotated Bother CC(C)CCOc1c2cccc1Cc1cc(CCCOP(=O)(O)O)cc(c1O)Cc1cccc(c1OCCC(C)C)Cc1cc(CCCOP(=O)(O)O)cc(c1O)C2 ZINC000095613060 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1C(=O)N3[C@H]4CN5C(=O)c6ccccc6[C@@H]5O[C@H](c5c(OC)c(C)c(OC)c(OC)c54)[C@H]3[C@@H]2N1C(=O)OC(C)C ZINC000095613062 KK Annotated Anodyne COc1c(C)c(OC)c(OC)c2c1C[C@H]1C(=O)N3[C@H]4CN5C(=O)c6ccccc6[C@H]5O[C@H](c5c(OC)c(C)c(OC)c(OC)c54)[C@H]3[C@@H]2N1C(=O)OC(C)C ZINC000095613063 KK Annotated Anodyne CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000095613083 KK Annotated Mild COc1cc2c(cc1OCCCOc1ccc(OCCCOc3cc4c(cc3OC)C(=O)N3CCC[C@H]3C=N4)c3c1C(=O)c1ccccc1C3=O)N=C[C@@H]1CCCN1C2=O ZINC000095613089 KK Annotated Clean CC(C)[C@H]1OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2cccc(F)c2)N(C)C(=O)[C@@H](C(C)C)OC(=O)[C@H](Cc2cccc(F)c2)N(C)C1=O ZINC000095613104 KK Annotated Anodyne CCCCCCCCOc1ccc(NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@]2(O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 ZINC000095613129 KK Annotated Mild CCCCCCCCOc1ccc(NC(=O)[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@]2(O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 ZINC000095613130 KK Annotated Mild O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(Cc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(Cc3ccccc3)oc2=S)cc1 ZINC000095613139 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](Cc2ccco2)n2nc(Cc3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(Cc3ccccc3)oc2=S)cc1 ZINC000095613140 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(Cc3ccccc3)oc2=S)cc1)c1ccc(N[C@H](Cc2ccco2)n2nc(Cc3ccccc3)oc2=S)cc1 ZINC000095613141 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095613154 KK Annotated Anodyne O=C(CCCCCCC(=O)NCCCCCCN1CC[C@H]2COc3ccccc3[C@H]21)NCCCCCCN1CC[C@H]2COc3ccccc3[C@H]21 ZINC000095613187 KK Annotated Anodyne CCCCCCCCOc1ccc(NC(=O)[C@@H](CC(=O)OC(C)(C)C)NC(=O)[C@@]2(O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 ZINC000095613198 KK Annotated Mild CCCCCCCCOc1ccc(NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)[C@@]2(O)C[C@@H](OC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]3OC(C)(C)O[C@@H]3C2)cc1 ZINC000095613199 KK Annotated Mild CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CN(C)CCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095613216 KK Annotated Anodyne C[n+]1cc(F)c(-c2c3ccc(n3)c(-c3c(F)c[n+](C)cc3F)c3ccc([nH]3)c(-c3c(F)c[n+](C)cc3F)c3ccc(n3)c(-c3c(F)c[n+](C)cc3F)c3ccc2[nH]3)c(F)c1 ZINC000095613217 KK Annotated Mild CN(C)CCCn1c(=O)c2cc3cc(CCN4CCCCC4)c4cc5c(=O)n(CCCN(C)C)c(=O)c6cc7cc(CCN8CCCCC8)c8cc(c1=O)c2c1c3c4c(c65)c7c81 ZINC000095613229 KK Annotated Bother CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]1[C@H](O)[C@H](CO)O[C@H](CC(=O)O)[C@@H]1NC(=O)C[C@H](O)CCCCCCCCCCC ZINC000095613230 KK Annotated Mild CN1CCC(N(C)C(=O)N([C@@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000095613251 KK Annotated Anodyne CN1CCC(N(C)C(=O)N([C@H]2CCCN(c3ccc(-c4ccccc4S(C)(=O)=O)cc3F)C2=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1 ZINC000095613252 KK Annotated Anodyne CC(C)=CCC(CC=C(C)C)(P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C ZINC000095613264 KK Annotated Anodyne CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)OC)c4C)c(CC(=O)OC)c4[nH]c(cc1n2)c(C)c4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000095613276 KK Annotated Bother O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(c5nccc6c5[nH]c5c(OS(=O)(=O)c7ccc(Cl)cc7)cccc56)[C@H]1CC4)[C@H]23 ZINC000095613285 KK Annotated Anodyne in-vivo CCCN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1 ZINC000095613287 KK Annotated Bother CCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OCCCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000095613321 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000095613326 KK Annotated Bother CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C(=O)c1ccccc1 ZINC000095613327 KK Annotated Bother CCCCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OCCCCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000095613362 KK Annotated Mild CCCCCCCCCCn1c(=O)c2c3nc(cc4nc(cc5[nH]c(cc6[nH]c2c(c6C)c1=O)c(CC)c5C)c([C@@H](C)OCCC)c4C)[C@@H](C)[C@@H]3CCC(=O)OC ZINC000095613370 KK Annotated Mild CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@@H]4[C@]4(C[C@@H]7CCC(=O)CCCN7[C@@H]54)C6)nccc23)s1 ZINC000095613421 KK Annotated Anodyne CC(=O)Nc1nc(C)c(S(=O)(=O)Oc2cccc3c2[nH]c2c(C4=C[C@@]5(O)CC/C=C\CCCCN6CC[C@H]4[C@]4(C[C@@H]7CCC(=O)CCCN7[C@@H]54)C6)nccc23)s1 ZINC000095613422 KK Annotated Anodyne CCN(CC)CCn1nc2c3c(c(NCCCN(C)CCCNc4ccc5c6c(nn5CCN(CC)CC)-c5ccncc5C(=O)c46)ccc31)C(=O)c1cnccc1-2 ZINC000095613445 KK Annotated Clean COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1)C(C)(C)C ZINC000095613446 KK Annotated Reactive C=C(CCCC)[C@H](O)/C(C)=C/C=C/[C@@H]1OC(=O)C[C@@H]2O[C@H](C[C@H]2C)[C@H](O)[C@H](O)C(=C)/C=C(\C)[C@@H](C)[C@@H](O)CC(=O)[C@@H](C)CC(=O)C[C@H]2CC[C@H]1O2 ZINC000095613470 KK Annotated Mild N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC2CCCCC2)CN1[C@@H](CC1CCCCC1)CN1CCC[C@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095613477 KK Annotated Anodyne N=C1N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](CC2CCCCC2)CN1[C@@H](CC1CCCCC1)CN1CCC[C@@H]1CN1C(N)=NC[C@@H]1Cc1ccccc1 ZINC000095613478 KK Annotated Anodyne CN(C)CCCn1nc2c3c(c(NCCCN(C)CCCNc4ccc5c6c(nn5CCCN(C)C)-c5ccncc5C(=O)c46)ccc31)C(=O)c1cnccc1-2 ZINC000095613481 KK Annotated Clean O=C(O)[C@@H]1Cc2cc(I)c(OCc3cccc(C(F)(F)F)c3)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000095613542 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613591 KK Annotated Clean COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613592 KK Annotated Clean COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613593 KK Annotated Anodyne COc1cc([C@@H](O)[C@H]2C(=O)O[C@@H](O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)[C@@H]2C2(c3ccc(O)c(O)c3OC)SCCCS2)cc(OC)c1OCc1ccccc1 ZINC000095613594 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(O)cc5[C@@H](OC)[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095613606 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(O)c(C(=O)OC)c1 ZINC000095613621 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(O)c(C(=O)OC)c1 ZINC000095613622 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)c1ccc(O)c(C(=O)OC)c1 ZINC000095613623 KK Annotated Anodyne CCCCCCN(C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)c1ccc(O)c(C(=O)OC)c1 ZINC000095613624 KK Annotated Anodyne COC(=O)c1ccccc1[C@@H]1c2cc(I)c(N)cc2Oc2c1cc(I)c(N)c2I ZINC000095613656 KK Annotated Anodyne COC(=O)c1ccccc1[C@H]1c2cc(I)c(N)cc2Oc2c1cc(I)c(N)c2I ZINC000095613657 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCc4ccc(Cl)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095613712 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCc4ccc(Cl)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095613713 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCc4ccc(Cl)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095613714 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C)C(=O)NCc4ccc(Cl)cc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095613715 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC(C)(C)c4ccccn4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095613725 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC(C)(C)c4ccccn4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095613726 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC(C)(C)c4ccccn4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095613727 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C(=O)NC(C)(C)c4ccccn4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095613728 KK Annotated Mild COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5cn4)ccc2[nH]1)N3C=O ZINC000095613729 KK Annotated Reactive COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5cn4)ccc2[nH]1)N3C=O ZINC000095613730 KK Annotated Reactive O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C=C/c1cccc(Br)c1 ZINC000095613777 KK Annotated Reactive CCc1c(C)c2cc3[nH]c(cc4nc(c(CCC(=O)OC)c4C)c4c5[nH]c(cc1n2)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC ZINC000095614355 KK Annotated Bother CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccccc1)C(=O)Nc1ccc(C)cc1-2 ZINC000095614429 KK Annotated Reactive C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000095614451 KK Annotated Anodyne C/C(=C\CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1ccc2ccccc2c1)C(=O)NCNC(=O)/C(C)=C/CCC#C/C=C/[C@H](C)[C@H](O)/C(C)=C/CCc1cccc2ccccc12 ZINC000095614453 KK Annotated Anodyne C=CCO[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C=C(c5cccc6cc(S(=O)(=O)O)ccc56)c5cccc6cc(S(=O)(=O)O)ccc56)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095614460 KK Annotated Mild CCn1c(-c2ccccc2)c(C(c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c2c(-c3ccccc3)n(CC)c3ccccc23)c2ccccc21 ZINC000095614508 KK Annotated Anodyne C=C(Br)C(=O)Nc1ccc2sc(C(=O)NCCNC(=O)c3cc(OC[C@]4(c5ccc(-c6ccccc6)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000095614519 KK Annotated Mild C=C(Br)C(=O)Nc1ccc2sc(C(=O)NCCNC(=O)c3cc(OC[C@@]4(c5ccc(-c6ccccc6)cc5)CC(=C)C(=O)O4)nn3C)cc2c1 ZINC000095614520 KK Annotated Mild O=C(Oc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12)c1ccc(-c2ccc(C(=O)Oc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)ccc34)cc2)cc1 ZINC000095614523 KK Annotated Anodyne N=C1N([C@@H](CC2CCCCC2)CN2CCC[C@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@@H](CC2CCCCC2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095614528 KK Annotated Anodyne N=C1N([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C[C@@H](CC2CCCCC2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095614529 KK Annotated Anodyne Cc1ccc(C2c3ccc([nH]3)[C@H](c3ccc(C)cc3)c3ccc([nH]3)C(c3ccc(NC(=O)[C@H](N)CO)cc3)c3ccc([nH]3)[C@@H](c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095614575 KK Annotated Anodyne Cc1cc(S(=O)(=O)C2=N[C@H](Nc3ccccc3)NN2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)C2=N[C@H](Nc3ccccc3)NN2)cc1Cl ZINC000095614578 KK Annotated Reactive Cc1cc(S(=O)(=O)C2=N[C@H](Nc3ccccc3)NN2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)C2=N[C@@H](Nc3ccccc3)NN2)cc1Cl ZINC000095614579 KK Annotated Reactive Cc1cc(S(=O)(=O)C2=N[C@@H](Nc3ccccc3)NN2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)C2=N[C@@H](Nc3ccccc3)NN2)cc1Cl ZINC000095614580 KK Annotated Reactive O=C1CSc2ccccc2NC(=O)c2ccccc2OCc2ccccc2COc2ccccc2C(=O)Nc2ccccc2SCC(=O)Nc2ccccc2N1 ZINC000095614602 KK Annotated Anodyne O=C(COc1ccc(Cl)cc1Cl)N[C@@H](Cc1cccc(Br)c1)[C@H](O)C[C@H](CCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000095614667 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@H]4Nc5ccc(OC)cc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095614761 KK Annotated Anodyne CC[C@]12C=C(C(=O)OC)c3c(C[C@@H]4Nc5ccc(OC)cc5C[C@H]4c4c5n(c6ccccc46)[C@H]4N(O)CCC[C@@]4(CC)C=C5C(=O)OC)c4ccccc4n3[C@H]1N(O)CCC2 ZINC000095614762 KK Annotated Anodyne CC(C)(C)OC(=O)n1cc(C#CCN2C(=O)N(CC#Cc3cnn(C(=O)OC(C)(C)C)c3)[C@H](Cc3ccccc3)[C@@H]3OC(C)(C)O[C@H]3[C@H]2Cc2ccccc2)cn1 ZINC000095614774 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C)C[C@H](OC(=O)c3ccc(O)c(OC)c3)[C@]3(C)[C@H](C[C@@H](OC(=O)c4ccc(O)c(OC)c4)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000095614795 KK Annotated Mild C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC/C(=N\N(/C(S)=N/c6ccccc6[N+](=O)[O-])c6ccc([N+](=O)[O-])cc6[N+](=O)[O-])C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000095614819 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)c(Cl)c1)SS/C(=N/c1ccc(Cl)c(Cl)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000095614823 KK Annotated Reactive CCOCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)COCC)[C@@H](OC(=O)COCC)C(C)(C)O)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095614829 KK Annotated Anodyne CC1=C[C@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[C@@H]2CCCN3C(=O)CCN(C)CCCCCCCCCCCCN(C)CCC(=O)N1CCC[C@@H]2[C@H]3C=C(C)C[C@]21c1ccc(=O)[nH]c1C3 ZINC000095614830 KK Annotated Anodyne CCCCCCCCCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O ZINC000095614832 KK Annotated Mild C=CCOC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095614848 KK Annotated Mild C[n+]1cccc(-c2c3ccc(n3)c(-c3ccc[n+](C)c3F)c3ccc([nH]3)c(-c3ccc[n+](C)c3F)c3ccc(n3)c(-c3ccc[n+](C)c3F)c3ccc2[nH]3)c1F ZINC000095614850 KK Annotated Bother COCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)COC)[C@@H](OC(=O)COC)C(C)(C)OC(=O)COC)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095614876 KK Annotated Anodyne CCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCC ZINC000095614879 KK Annotated Reactive CCCCCCCCCCCC(=O)O[C@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCC ZINC000095614880 KK Annotated Reactive CCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](C)OC(=O)CCCCCCCCCCC ZINC000095614881 KK Annotated Reactive O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1 ZINC000095614894 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@@H](Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(N[C@@H](Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1 ZINC000095614895 KK Annotated Anodyne O=S(=O)(c1ccc(N[C@H](Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1)c1ccc(N[C@H](Cc2ccco2)n2nc(-c3ccccc3)oc2=S)cc1 ZINC000095614896 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(F)ccc1F)SS/C(=N/c1cc(F)ccc1F)OCCN1C(=O)c2ccccc2C1=O ZINC000095614913 KK Annotated Reactive COc1ccc(C(c2c(C)n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc23)c2c(C)n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc23)cc1 ZINC000095614932 KK Annotated Anodyne CCCCCCCO[C@@H](C)c1c(C)c2cc3[nH]c(cc4nc(c5c(=O)n(CCCCCC)c(=O)c6c(C)c(cc1[nH]2)nc56)[C@@H](CCC(=O)OC)[C@@H]4C)c(C)c3CC ZINC000095614933 KK Annotated Mild O=S1(=O)N(Cc2cccc(I)c2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(I)c1 ZINC000095614939 KK Annotated Anodyne C=CCN(c1ccc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)C(=O)O)cc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095614941 KK Annotated Mild CCCC[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](OC(C)=O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](OC(C)=O)[C@@H](C)CCCC[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C ZINC000095614949 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc2ccccc12)SS/C(=N/c1cccc2ccccc12)OCCN1C(=O)c2ccccc2C1=O ZINC000095614975 KK Annotated Reactive CC1(C)OC2=C(C(=O)C3=C(C2=O)[C@H]2c4cc(Br)cc(Br)c4CO[C@H]2C(C)(C)O3)[C@H]2c3cc(Br)cc(Br)c3OC[C@H]21 ZINC000095614999 KK Annotated Mild CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c4ccccc24)[C@H]([C@@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095615007 KK Annotated Reactive CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@]4(O)[C@@H](C(=O)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1 ZINC000095615012 KK Annotated Anodyne CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1 ZINC000095615014 KK Annotated Anodyne COc1ccc(Cn2cc(Cn3cc(C(c4ccc(OC)cc4)c4cn(Cc5cn(Cc6ccc(OC)cc6)nn5)c5ccccc45)c4ccccc43)nn2)cc1 ZINC000095615016 KK Annotated Anodyne CCCC[C@@H]1CN([C@@H](CC2CCCCC2)CN2CCC[C@@H]2CN2C(N)=NC[C@@H]2Cc2ccccc2)C(=N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095615043 KK Annotated Anodyne C=C1[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000095615045 KK Annotated Mild CC(=O)N1CCN(Cc2ccccc2CS(=O)(=O)NCCc2c(CCCc3ccc(C(=O)O)cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1 ZINC000095615102 KK Annotated Anodyne O=C(CCCCCN1C(=O)C=CC1=O)Oc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2[nH]1 ZINC000095615109 KK Annotated Reactive O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(F)cc(F)c1)SS/C(=N/c1cc(F)cc(F)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000095615124 KK Annotated Reactive CC(C)=CCCC1=C[C@@H](c2c(O)cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2O)O3)[C@H](C(=O)c2ccc(O)c(CC=C(C)C)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000095615126 KK Annotated Anodyne CCCCCCCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)CCCCCCC)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095615143 KK Annotated Anodyne CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@]2(C)[C@H](OC(=O)[C@H](O)C(C)C)C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@@H]12 ZINC000095615144 KK Annotated Anodyne C=C(C)[C@@]1(O)C[C@@H](C)[C@@]2(O)[C@@H]([C@@H]3O[C@]3(COC(=O)CCCCCCCCCCCCCCC)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]32)[C@H]1OC(=O)/C=C/CCCCCCCCCCCCC ZINC000095615145 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(Cl)cc(Cl)c1)SS/C(=N/c1cc(Cl)cc(Cl)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000095615159 KK Annotated Reactive C=C(C)[C@H](OC(=O)COC(C)=O)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)COC(C)=O)C[C@]13O2)OC(=O)COC(C)=O ZINC000095615161 KK Annotated Mild C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C ZINC000095615163 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)C5CC5)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095615175 KK Annotated Anodyne CCCCOC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095615182 KK Annotated Anodyne C/C=C(\C)[C@@H](O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]2[C@H](OC(=O)[C@H](O)[C@H](C)CC)C[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@]12C ZINC000095615184 KK Annotated Anodyne CCc1c(C)c2cc3nc(c(CC(=O)OC)c4nc(cc5[nH]c(cc1[nH]2)[C@]1(C)C5=CC=C(C(=O)OC)[C@@H]1C(=O)OC)c(C)c4C(=O)OC)[C@@H](CCC(=O)OC)[C@@H]3C ZINC000095615189 KK Annotated Bother CCc1cc(Nc2nccc(-c3c(-c4cccc(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c(OC)cc1N1CCC(N2CCN(S(C)(=O)=O)CC2)CC1 ZINC000095615196 KK Annotated Anodyne CCC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000095615221 KK Annotated Mild Cc1cc(S(=O)(=O)Nc2nc3cc(-c4ccccc4)sc3c(=O)n2Cc2ccccc2)c(S)cc1Cl ZINC000095615230 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@H](C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C)OC(C)=O ZINC000095615243 KK Annotated Anodyne OCc1c(Cc2ccc(O)c(Br)c2)c(O)c(O)c(Br)c1Cc1cc(Br)c(O)c(O)c1Cc1ccc(O)c(Br)c1 ZINC000095615254 KK Annotated Clean CC(C)CCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)CCC(C)C)[C@@H](OC(=O)CCC(C)C)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095615255 KK Annotated Anodyne COc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OCCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000095615269 KK Annotated Anodyne COc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OCCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000095615289 KK Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)C3=C2OC(C)(C)[C@H]2COc4c(Br)cc(Br)cc4[C@@H]32)[C@@H]2c3cc(Br)cc(Br)c3OC[C@@H]21 ZINC000095615292 KK Annotated Mild COc1cc(/C=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)ccc1OCCCCOc1cc2c(cc1OC)C(=O)N1CCC[C@H]1C=N2 ZINC000095615298 KK Annotated Anodyne CC[C@@]1([C@H]2O[C@@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@@H]2C)CC[C@@H]([C@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H](OC)[C@H](C)C(=O)Nc4ccccc4)O3)O2)O1 ZINC000095615299 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000095615360 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000095615361 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095615362 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095615363 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(I)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(I)c1 ZINC000095615368 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(I)c2)[C@@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1cccc(I)c1 ZINC000095615369 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(I)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(I)c1 ZINC000095615370 KK Annotated Anodyne O=S1(=O)N(Cc2cccc(I)c2)[C@@H](COc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(I)c1 ZINC000095615371 KK Annotated Anodyne Nc1c(I)cc(I)c(CCCCCCCCCCCCCCCCC(=O)O)c1I ZINC000095615389 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095615402 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@H](O)[C@H](O)[C@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095615403 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095615404 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@@H](COc2ccccc2)[C@@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000095615405 KK Annotated Anodyne COc1c2c(cc(O)c1-c1cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc13)C[C@@H](C)N=C2C ZINC000095615418 KK Annotated Clean O=C(O)/C(=C/c1sc2cc(OCc3ccc(Oc4ccccc4)cc3)c(OCc3ccc(Oc4ccccc4)cc3)cc2c1Oc1ccc(Cl)cc1)c1ccncc1 ZINC000095615419 KK Annotated Anodyne CCC/C=C\c1ccccc1/C=C/C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)OCc1cnc(C)s1 ZINC000095615426 KK Annotated Anodyne C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COc1cc(O)c2c(=O)c(OC/C=C(\C)CC[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)c(-c3ccc(OC)cc3)oc2c1 ZINC000095615432 KK Annotated Mild C=C1[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000095615462 KK Annotated Mild C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC/C(C)=C/COc1cc(O)c2c(=O)c(OC/C=C(\C)CC[C@H]3C(=C)CC[C@H]4C(C)(C)CCC[C@]34C)c(-c3ccc(O)cc3)oc2c1 ZINC000095615463 KK Annotated Mild COc1cc(/C=C2\C(=O)N(CCc3ccc(OC(C)=O)cc3)[C@H](c3ccc(OC(C)=O)c(OC)c3)[C@H]2C(=O)NCCc2ccc(OC(C)=O)cc2)ccc1OC(C)=O ZINC000095615490 KK Annotated Anodyne CC(C)C[C@H](C(=O)O)N1C[C@H](CN2CCC(CCS(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000095615498 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(C)(C)O)C1=C2C[C@H](OC(=O)c3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095615510 KK Annotated Anodyne Oc1cc(Cc2c(O)c(Br)c(O)c(Cc3cc(O)c(O)c(Br)c3Br)c2O)c(Br)c(Br)c1O ZINC000095615529 KK Annotated Clean O=C(/C(=C\c1cc(I)c(O)c(I)c1)SCc1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000095615541 KK Annotated Mild Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OCCO[N+](=O)[O-])cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095615547 KK Annotated Bother Cc1c(C(c2ccccc2)c2c(C)n(Cc3cn(Cc4ccc(Cl)cc4)nn3)c3ccccc23)c2ccccc2n1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000095615563 KK Annotated Anodyne Cc1c(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)C(=O)Cc2ccccc2)c(C)c2c1OC(C)(C)CC2 ZINC000095615581 KK Annotated Anodyne O=C(/C(=C/c1ccc(I)cc1)S(=O)(=O)Cc1ccc(I)cc1)c1ccc(I)cc1 ZINC000095615584 KK Annotated Mild C=C(C)[C@H](OC(=O)c1ccccc1)[C@H](C[C@@H](C)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)c4ccccc4)C[C@]13O2)OC(=O)c1ccccc1 ZINC000095615603 KK Annotated Mild COc1cc([C@@H]2O[C@H](CNC(=O)c3ccccc3C(=O)O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c(OC)c2ccccc12 ZINC000095615614 KK Annotated Anodyne COc1c(Cl)c(Cl)c(Oc2c(Cl)c(OC)c(Cl)c(Cl)c2Oc2c(O)c(Cl)c(Cl)c(OC)c2Cl)c(Cl)c1Cl ZINC000095615622 KK Annotated Anodyne CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3c2CCCC3)nnc1SCSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(C)=O ZINC000095615626 KK Annotated Reactive COc1c(Cl)c(Cl)c(Oc2c(O)c(Oc3c(Cl)c(Cl)c(OC)c(Cl)c3Cl)c(Cl)c(OC)c2Cl)c(Cl)c1Cl ZINC000095615629 KK Annotated Anodyne CC(C)[C@@]12CC[C@]3(COC(=O)c4ccccc4)CC[C@]4(C)C(=C13)[C@H](C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)c5ccccc5)C(C)(C)[C@@H]3CC[C@]14C)n1c(=O)n(C)c(=O)n12 ZINC000095615634 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(C)(C)O)[C@]12CC[C@]3(C)[C@@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](OC(=O)c4ccccc4)C[C@]13O2 ZINC000095615656 KK Annotated Anodyne CN1C(=O)[C@@H]2C[C@@]3([C@@]45C[C@H]6C(=O)N(C)[C@@H](Cc7ccccc7)C(=O)N6[C@@H]4N(/C=C/c4ccccc4)c4ccccc45)c4ccccc4N[C@H]3N2C(=O)[C@@H]1Cc1ccccc1 ZINC000095615676 KK Annotated Anodyne NC(=O)CCCC(=O)N1C[C@@H]2CC(c3ccc(CCCOc4cc(Cl)ccc4Br)cc3)=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@H](C1)N2 ZINC000095615698 KK Annotated Anodyne NC(=O)CCCC(=O)N1C[C@H]2N[C@H](CC(c3ccc(CCCOc4cc(Cl)ccc4Br)cc3)=C2C(=O)N(Cc2ccccc2Cl)C2CC2)C1 ZINC000095615699 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)C1CCCCC1)[C@@H](OC(=O)C1CCCCC1)C(C)(C)O)C1=C2C[C@H](OC(=O)C3CCCCC3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095615705 KK Annotated Anodyne COC(=O)/C(C(=O)Nc1nccs1)=C1/SC(C(C)=O)=NN1c1ccc(S(=O)(=O)N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 ZINC000095615706 KK Annotated Anodyne Cc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(C)c(Cl)c2)OCCN2C(=O)c3ccccc3C2=O)cc1Cl ZINC000095615707 KK Annotated Reactive CC(=O)OCC(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)COC(C)=O)[C@@H](OC(=O)COC(C)=O)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095615708 KK Annotated Anodyne COc1cc2c(c(O)c1[C@@H](C[C@@H](C)CCC=C(C)C)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000095615736 KK Annotated Clean COc1cc2c(c(O)c1[C@H](C[C@@H](C)CCC=C(C)C)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000095615737 KK Annotated Clean COc1cc2c(c(O)c1[C@@H](C[C@H](C)CCC=C(C)C)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000095615738 KK Annotated Clean COc1cc2c(c(O)c1[C@H](C[C@H](C)CCC=C(C)C)c1c(OC/C=C(\C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O ZINC000095615739 KK Annotated Clean CCC[C@H]1CCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CCCCCCCCCCCCCC(=O)N2CCC[C@H]2C(=O)O1 ZINC000095615742 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)cc1Cl)SS/C(=N/c1ccc(Cl)cc1Cl)OCCN1C(=O)c2ccccc2C1=O ZINC000095615744 KK Annotated Reactive CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@]4(O)[C@@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1 ZINC000095615747 KK Annotated Anodyne CC[C@@H]1CCCC[C@]2(C[C@H]3CC[C@]4(O)[C@H](C(=O)OCCCCCCCCCCCCCCCCCC(=O)N(CCCN)C[C@H](O)CCN)[C@@]5(CCC[C@H](C)O5)NC(=N2)N34)O1 ZINC000095615749 KK Annotated Anodyne O=[N+]([O-])c1cccc(C([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)c1 ZINC000095615750 KK Annotated Anodyne O=[N+]([O-])c1cccc(C([P@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)[P@@]2(=O)Oc3ccccc3CN2c2ccc(F)c(Cl)c2)c1 ZINC000095615751 KK Annotated Bother CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@]4(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@](O)([C@H](C)OC(=O)/C=C/c5ccccc5)CC[C@]43O)C2)O[C@H](C)[C@H]1O ZINC000095615762 KK Annotated Anodyne C#CCCCC[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@H]1c1nccs1)C(C)C)C(C)C)C(C)C)C(C)C ZINC000095615778 KK Annotated Mild CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@H]1C[C@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O ZINC000095615808 KK Annotated Clean CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](/C=N/Nc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)n1OC(C)=O)CCC/C3=C\c1ccc(Cl)cc1)OC(C)=O ZINC000095615821 KK Annotated Mild C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@H]3CC[C@@]4(C)O[C@H]5C[C@@H](OCc6ccccc6)[C@H](CCOCc6ccccc6)O[C@@H]5C[C@@H]4O[C@@H]3C[C@@H]1O2 ZINC000095615823 KK Annotated Anodyne C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cc3c2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000095615825 KK Annotated Reactive C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cc3c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000095615826 KK Annotated Reactive C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cc3c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 ZINC000095615827 KK Annotated Reactive C=CC[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@@H](C[C@H](OC)/C(C)=C/CCCCC)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC ZINC000095615832 KK Annotated Mild C[C@]12CC[C@H]3[C@@](C)(CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)[C@@H]1Cc1cc(Oc3ccc(O)c4c3C[C@@H]3[C@@]5(C)CC[C@H]6[C@@](C)(CCC[C@@]6(C)C(=O)O)[C@@H]5CC[C@@]3(C)O4)ccc1O2 ZINC000095615835 KK Annotated Anodyne COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O[C@@H]4C[C@H]5C(C)=C(OC)C(=O)[C@@H]6[C@@]7(C)C(=O)C(OC)=C[C@@H](C)[C@@H]7C[C@@H](O4)[C@]65C)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000095615852 KK Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O[C@@H]4C[C@H]5C(C)=C(OC)C(=O)[C@@H]6[C@@]7(C)C(=O)C(OC)=C[C@@H](C)[C@@H]7C[C@@H](O4)[C@]65C)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000095615853 KK Annotated Mild COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O[C@H]4C[C@H]5C(C)=C(OC)C(=O)[C@@H]6[C@@]7(C)C(=O)C(OC)=C[C@@H](C)[C@@H]7C[C@@H](O4)[C@]65C)C[C@H]4C(C)=C(OC)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C ZINC000095615854 KK Annotated Mild O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc(Br)c1)SS/C(=N/c1cccc(Br)c1)OCCN1C(=O)c2ccccc2C1=O ZINC000095615859 KK Annotated Reactive CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)C[C@@](OC(=O)c7cccc8cc9ccccc9cc78)([C@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 ZINC000095615860 KK Annotated Bother CCOCC(=O)O[C@H]1C[C@]23O[C@@]2([C@H](C)C[C@H](OC(=O)COCC)[C@@H](OC(=O)COCC)C(C)(C)OC(=O)COCC)CC[C@]3(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095615880 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)C(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095615887 KK Annotated Anodyne CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C6CC6)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000095615896 KK Annotated Mild COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(C)n2)C1=O)C(C)(C)C)C(C)(C)C ZINC000095615900 KK Annotated Reactive CC[C@@H](C)[C@@H](O)C(=O)O[C@@H]1C[C@]2(C)C(=CC[C@H]2[C@H]2CO[C@H](C=C(C)C)C2)[C@]2(C)[C@H](OC(=O)[C@H](O)[C@H](C)CC)C[C@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@@H]12 ZINC000095615915 KK Annotated Anodyne CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)CC(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095615918 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)/C=C/c1ccccc1)[C@@H](OC(=O)/C=C/c1ccccc1)C(C)(C)O)C1=C2C[C@H](O/C=C/c3ccccc3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095615922 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc([N+](=O)[O-])c1)SS/C(=N/c1cccc([N+](=O)[O-])c1)OCCN1C(=O)c2ccccc2C1=O ZINC000095615943 KK Annotated Reactive CCC(CC)C(=O)O[C@H]1CC2=C([C@H](C)C[C@H](OC(=O)C(CC)CC)[C@@H](OC(=O)C(CC)CC)C(C)(C)O)CC[C@]2(C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12 ZINC000095615950 KK Annotated Anodyne O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)c([N+](=O)[O-])c1)SS/C(=N/c1ccc(Cl)c([N+](=O)[O-])c1)OCCN1C(=O)c2ccccc2C1=O ZINC000095615954 KK Annotated Reactive CC(C)=CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)cc(-c2cc(O)c(O)c(C/C=C(\C)CCC=C(C)C)c2CCC(=O)c2ccc(O)cc2O)c(O)c1O ZINC000095615966 KK Annotated Clean CCCCCCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)[C@H]1COC(c2ccccc2O)=N1)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000095615970 KK Annotated Mild CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(COC(=O)C(C)(C)C)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 ZINC000095615973 KK Annotated Anodyne CC1(C)OC2=C(C(=O)C(=O)C3=C2OC(C)(C)[C@H]2COc4c(Br)cc(Br)cc4[C@@H]32)[C@H]2c3cc(Br)cc(Br)c3OC[C@H]21 ZINC000095615974 KK Annotated Mild CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1nc2c3c(cccc31)C(=O)[C@H]1C(Cl)=CC=C[C@@H]21)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2 ZINC000095615980 KK Annotated Anodyne CO[C@H]1[C@H](C)O[C@@H](O[C@@H]2C[C@H]3C=C[C@H]4[C@@H]5CC(=O)O[C@@H](C(C)C)CCC[C@H](O[C@H]6CC[C@H](N(C)C)[C@@H](C)O6)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@H](OC)[C@@H]1OC ZINC000095615982 KK Annotated Mild C[C@H](C[C@H](OC(=O)CC(C)(C)C)[C@@H](OC(=O)CC(C)(C)C)C(C)(C)O)C1=C2C[C@H](OC(=O)CC(C)(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095615986 KK Annotated Anodyne C[C@H](C[C@H](OC(=O)C1CCCC1)[C@@H](OC(=O)C1CCCC1)C(C)(C)O)C1=C2C[C@H](OC(=O)C3CCCC3)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095616000 KK Annotated Anodyne COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000095616002 KK Annotated Anodyne O=C(O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccccc3CN3CCOCC3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1 ZINC000095616011 KK Annotated Anodyne CC(=O)OC[C@H]1O[C@@H](n2c(SCc3cc4cc(Br)ccc4oc3=O)nc3cc(Cl)c(Cl)cc32)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000095616029 KK Annotated Anodyne COC(=O)c1cc(-c2ccccc2)n(CCNC(=O)CCCCCN2C(=O)N[C@@H](c3ccc(-c4ccccc4)cc3)C(C(=O)OCc3ccccc3)=C2C)c1C ZINC000095616039 KK Annotated Anodyne COC(=O)c1cc(-c2ccccc2)n(CCNC(=O)CCCCCN2C(=O)N[C@H](c3ccc(-c4ccccc4)cc3)C(C(=O)OCc3ccccc3)=C2C)c1C ZINC000095616040 KK Annotated Anodyne C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095616115 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095616116 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095616117 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C/C(=O)OCc4ccccc4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095616118 KK Annotated Mild C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095616205 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O ZINC000095616206 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095616207 KK Annotated Reactive C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O ZINC000095616208 KK Annotated Reactive COc1c(Cl)c(Cl)c(Oc2c(O)c(Cl)c(OC)c(Cl)c2Oc2c(Cl)c(Cl)c(OC)c(Cl)c2Cl)c(Cl)c1Cl ZINC000095616233 KK Annotated Anodyne CCCCCCc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095616250 KK Annotated Mild CCc1nc(OCc2cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn2)c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1 ZINC000095616251 KK Annotated Mild CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)C=C[C@@](OC(=O)c7cccc8cc9ccccc9cc78)([C@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 ZINC000095616253 KK Annotated Bother CCOC[C@@]1(O)[C@H](OC(C)=O)[C@]2(CC)C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@@H]7C=C(CC)CN(CCc8c6[nH]c6ccccc86)C7)c(OC)cc5N(C)[C@@H]14)[C@@H]32 ZINC000095616254 KK Annotated Anodyne CCOC(=O)CN(c1ccc(Br)cc1OCCOc1cc(Br)ccc1N(CC(=O)OCC)[C@@H](C)C(=O)OCC)[C@@H](C)C(=O)OCC ZINC000095616620 KK Annotated Anodyne Cc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095616642 KK Annotated Mild CCc1nc2nc(-c3ccccc3)cc(C(F)(F)F)c2c(=O)n1Cc1cn(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nn1 ZINC000095616666 KK Annotated Mild Cc1cc(C(=O)Nc2ccc(C)c(-c3nc(N(C(=O)c4ccc(F)c(C)c4)C4CCNCC4)nc4c3ccc(=O)n4-c3c(F)cccc3F)c2)ccc1F ZINC000095617120 KK Annotated Anodyne CCc1c(CC)c2cc3nc(cc4[nH]c(c(C)c4CC)c4[nH]c(cc5nc(cc1[nH]2)c(CCC(=O)N(CCO)CCO)c5C)c(CC)c4C)c(C)c3CCC(=O)N(CCO)CCO ZINC000095617175 KK Annotated Bother Cc1ccc(-c2c3ccc(n3)c(-c3ccc(C)cc3)c3ccc([nH]3)c(-c3ccc(OCCCO[N+](=O)[O-])cc3)c3ccc(n3)c(-c3ccc(C)cc3)c3ccc2[nH]3)cc1 ZINC000095617185 KK Annotated Bother CC(C)N/C(=N\C(=O)OCC(Cl)(Cl)Cl)c1ccc(-c2ccc(-c3ccc(/C(=N\C(=O)OCC(Cl)(Cl)Cl)NC(C)C)cc3)o2)cc1 ZINC000095617186 KK Annotated Mild COc1cc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000095617213 KK Annotated Anodyne CCn1c2ccc3cc2c2cc(ccc21)CSc1ccccc1NC(=O)c1ccc(cc1)OCc1ccccc1COc1ccc(cc1)C(=O)Nc1ccccc1SC3 ZINC000095617220 KK Annotated Anodyne COc1cc2cc(NC(=O)CC/C=C/CCC(=O)Nc3cc4cc(OC)c(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc2c(C)c1OC1CCN(C)CC1 ZINC000095617222 KK Annotated Anodyne Cc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCCC/C=C/CCCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)c(=O)oc12 ZINC000095617225 KK Annotated Anodyne Cc1cc2c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O ZINC000095617261 KK Annotated Clean Cc1cc2c(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O ZINC000095617262 KK Annotated Clean Cc1cc2c(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)N[C@H](C)c3ccc(Cl)cc3)c(O)c(O)cc2c1O ZINC000095617263 KK Annotated Clean COc1c(OC2CCN(C)CC2)ccc2cc(NC(=O)CCC/C=C/CCCC(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)c(=O)oc12 ZINC000095617279 KK Annotated Anodyne COc1ccc(C(=O)Nc2cc3ccc(OCCCN(C)C)c(C)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3ccc(OCCCN(C)C)c(C)c3oc2=O)ccc1OC ZINC000095617281 KK Annotated Anodyne COc1ccc(C(=O)Nc2cc3ccc(OC(C)=O)c(C)c3oc2=O)cc1-c1cc(C(=O)Nc2cc3ccc(OC(C)=O)c(C)c3oc2=O)ccc1OC ZINC000095617283 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(=O)NCCCNC(=O)c1cccc(N=[N+]=[N-])c1)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000095617311 KK Annotated Mild O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2ncn([C@@H]3O[C@@]4(CO)CO[C@@H]3[C@@H]4OCc3ccccc3)c2n1 ZINC000095617325 KK Annotated Anodyne COCCN1CCC(N(CC2(O)CCN(c3ccc(C(F)(F)F)cc3)CC2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)CC1 ZINC000095617326 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6ccc(O)c7c6O[C@H](c6ccc(O)cc6)CC7=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095617329 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(O)ccc(OC(=O)CCC(=O)O[C@@H]4CC[C@]5(C)[C@H]6CC[C@H]7[C@@](C)(CC[C@H]8C(C)(C)[C@@H](OC)CC[C@]78C)CC6=CC[C@H]5C4(C)C)c3O2)cc1O ZINC000095617333 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6cccc7c(=O)c(-c8ccc(O)cc8)coc67)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095617334 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6ccc(O)c7c6O[C@H](c6ccc(O)cc6)CC7=O)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095617335 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6ccc(O)c7c(=O)c(-c8ccc(O)cc8)coc67)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095617336 KK Annotated Anodyne CO[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6cccc7c(=O)c(-c8ccc(O)cc8)coc67)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095617338 KK Annotated Anodyne COc1ccc([C@@H]2CC(=O)c3c(O)ccc(OC(=O)CCC(=O)O[C@@H]4CC[C@]5(C)[C@H]6CC[C@H]7[C@@](C)(CC[C@H]8C(C)(C)[C@H](OC)CC[C@]78C)CC6=CC[C@H]5C4(C)C)c3O2)cc1O ZINC000095617341 KK Annotated Anodyne CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(=CC[C@H]5C(C)(C)[C@H](OC(=O)CCC(=O)Oc6ccc(O)c7c(=O)c(-c8ccc(O)cc8)coc67)CC[C@]45C)C[C@]3(C)CC[C@H]2C1(C)C ZINC000095617342 KK Annotated Anodyne C=C/C=C\[C@H](C)[C@H](OC(=O)NCCCNC(=O)c1ccc(N=[N+]=[N-])cc1)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C ZINC000095617343 KK Annotated Mild CCn1c2ccc3cc2c2cc(ccc21)CSc1ccccc1NC(=O)COc1ccc2ccccc2c1-c1c(ccc2ccccc12)OCC(=O)Nc1ccccc1SC3 ZINC000095617392 KK Annotated Anodyne Cc1cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c(O)c1-c1c(C)cc2c(C(=O)NCCc3cccc(Cl)c3)c(O)c(O)cc2c1O ZINC000095617418 KK Annotated Clean O=C(NN1C(=O)[C@@H](CN2CCCCC2)S[C@H]1c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095617439 KK Annotated Clean O=C(NN1C(=O)[C@@H](CN2CCCCC2)S[C@@H]1c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095617440 KK Annotated Clean O=C(NN1C(=O)[C@H](CN2CCCCC2)S[C@H]1c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095617441 KK Annotated Clean O=C(NN1C(=O)[C@H](CN2CCCCC2)S[C@@H]1c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 ZINC000095617442 KK Annotated Clean CCC/C(=N\OC(c1ccccc1)c1ccccc1)C1=C(O)C[C@@H](c2cccc([C@H]3CC(=O)C(/C(CCC)=N/OC(c4ccccc4)c4ccccc4)=C(O)C3)c2)CC1=O ZINC000095617452 KK Annotated Mild C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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](C)C[C@@]2(C)O1 ZINC000095618015 KK Annotated Bother in-man endogenous C=CC(C)(C)Oc1c2c(c(Oc3c4c(c(C(C)(C)C=C)c5oc(=O)c(C(C)(C)C=C)cc35)OC(C)(C)C=C4)c3oc(=O)c(C(C)(C)C=C)cc13)OC(C)(C)C=C2 ZINC000095618129 KK Annotated Mild in-man endogenous Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000095618165 KK Annotated Clean in-man endogenous Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2 ZINC000095618166 KK Annotated Clean in-man endogenous Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000095618167 KK Annotated Clean in-man endogenous Oc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3O)c1O)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2 ZINC000095618168 KK Annotated Clean in-man endogenous CC(C)=CCc1cc(C(=O)[C@@]2(c3cc(O)c(O)cc3/C=C3\Oc4c(ccc(O)c4CC=C(C)C)C3=O)Oc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O ZINC000095618377 KK Annotated Mild in-man biogenic CC(C)=CCc1cc(C(=O)[C@]2(c3cc(O)c(O)cc3/C=C3\Oc4c(ccc(O)c4CC=C(C)C)C3=O)Oc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O ZINC000095618378 KK Annotated Mild in-man CC(=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)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000095619493 KK Annotated Mild in-man endogenous CC(=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)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000095619494 KK Annotated Mild in-man endogenous CC1=CCCC(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@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000095619563 KK Annotated Bother in-man endogenous CC1=CCCC(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@@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000095619564 KK Annotated Bother in-man endogenous CC1=CCCC(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@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000095619565 KK Annotated Bother in-man endogenous CC1=CCCC(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@H]1C=C2C(C)(C)CCC[C@]2(C)O1 ZINC000095619566 KK Annotated Bother in-man endogenous COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1nc2cc(-c3ccc(-c4ccc5nc([C@@H]6C[C@H](C)CN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)cc3)ccc2[nH]1)C(C)C ZINC000095627779 KK Annotated Anodyne CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5[C@H]6CC[C@H](C6)N5C(=O)[C@@H](c5ccccc5)N(C)C)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000095627788 KK Annotated Anodyne COC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc(-c2cnc(-c3ccc4nc([C@@H]5CCCN5C(=O)[C@@H](c5ccccc5)N(C)C)[nH]c4c3)o2)ccc1C)c1ccccc1 ZINC000095627796 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1C[C@@H](C)C[C@H]1c1ncc(-c2ccc(C#Cc3ccc(-c4cnc([C@@H]5C[C@H](C)CN5C(=O)[C@@H](NC(=O)OC)C5CCOCC5)[nH]4)cc3)cc2)[nH]1)C(C)C ZINC000095627808 KK Annotated Mild COC(=O)N[C@H](C(=O)N1[C@H](c2ncc(-c3ccc(C#Cc4ccc(-c5cnc([C@@H]6C[C@H]7C[C@H]7N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4)cc3)[nH]2)C[C@H]2C[C@H]21)C(C)C ZINC000095627809 KK Annotated Mild COC(=O)N[C@H](C(=O)N1[C@H](c2nc(-c3ccc(C45CCC(c6c[nH]c([C@@H]7C[C@H]8C[C@H]8N7C(=O)[C@@H](NC(=O)OC)C(C)C)n6)(CC4)CC5)cc3)c[nH]2)C[C@H]2C[C@H]21)C(C)C ZINC000095627823 KK Annotated Anodyne COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3oc4cc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C6CCOCC6)[nH]5)ccc4c(=O)c3c2)[nH]1)C(C)C ZINC000095627827 KK Annotated Bother CN(C)[C@@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc(-c4c[nH]c([C@@H]5COC6(CCOCC6)N5C(=O)OCc5ccccc5)n4)cc3)cc2)c[nH]1)c1ccccc1 ZINC000095627830 KK Annotated Anodyne CC(C)=CCc1c(O)ccc(C(=O)[C@@]2(c3ccc(O)cc3O)CC(C)=C[C@H](c3c(O)cc4c(c3O)C(=O)[C@@]3(CC=C(C)C)Oc5cc(O)ccc5[C@]3(O)O4)C2)c1O ZINC000095627945 KK Annotated Anodyne in-vitro CC(C)=CCc1c(O)ccc(C(=O)[C@@]2(c3ccc(O)cc3O)CC(C)=C[C@H](c3c(O)cc4c(c3O)C(=O)[C@]3(CC=C(C)C)Oc5cc(O)ccc5[C@]3(O)O4)C2)c1O ZINC000095627946 KK Annotated Anodyne in-vitro CC(C)=CCc1c(O)ccc(C(=O)[C@@]2(c3ccc(O)cc3O)CC(C)=C[C@H](c3c(O)cc4c(c3O)C(=O)[C@@]3(CC=C(C)C)Oc5cc(O)ccc5[C@@]3(O)O4)C2)c1O ZINC000095627947 KK Annotated Anodyne in-vitro CC(C)=CCc1c(O)ccc(C(=O)[C@@]2(c3ccc(O)cc3O)CC(C)=C[C@H](c3c(O)cc4c(c3O)C(=O)[C@]3(CC=C(C)C)Oc5cc(O)ccc5[C@@]3(O)O4)C2)c1O ZINC000095627948 KK Annotated Anodyne in-vitro CC(C)=CC[C@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c(C3=C[C@@]4(C)C[C@@H](C3)c3ccc(O)cc3O4)c(O)c1C2=O ZINC000095627949 KK Annotated Anodyne in-vitro CC(C)=CC[C@@]12Oc3cc(O)ccc3[C@@]1(O)Oc1cc(O)c(C3=C[C@@]4(C)C[C@@H](C3)c3ccc(O)cc3O4)c(O)c1C2=O ZINC000095627950 KK Annotated Anodyne in-vitro CC[C@@H]1C[C@]1(NC(=O)[C@@H]1CC[C@H]2OC(=O)N3Cc4cccc(c4C3)CCCCC(C)(C)COC(=O)N[C@@H](C(C)(C)C)C(=O)N12)/C(O)=N/S(=O)(=O)C1CC1 ZINC000095627970 KK Annotated Mild in-man O[C@]12C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC/C=C/CC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000095628008 KK Annotated Anodyne in-vitro Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3ccc(-c4ccc(/N=N\c5c(O)ccc6cc(S(=O)(=O)O)cc(S(=O)(=O)O)c56)c(C)c4)cc3C)cc2)cc1 ZINC000095628060 KK Annotated Clean in-vitro CCN(Cc1ccc(S(=O)(=O)O)cc1)c1ccc(C(=C2C=CC(=[N+](CC)Cc3cccc(S(=O)(=O)O)c3)C=C2)c2ccc(N(C)C)cc2)cc1 ZINC000095628061 KK Annotated Mild in-vitro CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095628252 KK Annotated Reactive CC[C@@H](C)CCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(=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)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095628253 KK Annotated Anodyne in-vitro CC[C@H](C)CCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC(=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)[C@H](O)[C@@H](O)[C@@H]1O ZINC000095628254 KK Annotated Anodyne in-vitro CC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C ZINC000095628264 KK Annotated Anodyne Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5c6cc(O)c7[nH]cc(C)c7c6[C@H](CCl)[C@@H]5C)cc4c3)ccc2[nH]1 ZINC000095628279 KK Annotated Reactive in-man Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5c6cc(O)c7[nH]cc(C)c7c6[C@H](CCl)[C@H]5C)cc4c3)ccc2[nH]1 ZINC000095628280 KK Annotated Reactive in-man C=C1[C@@H]([C@@H](O)C[C@H](C)[C@H]2O[C@@]3(CCCCO3)CC[C@H]2C)O[C@@H]2CC[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)O[C@H]2[C@@H]1O ZINC000095628822 KK Annotated Mild investigational C/C=C/C=C/C=C/CCCCCCCCc1cc([C@H](/C=C/C=C/C=C/C)CCCCCCCc2cccc(O)c2O)cc(O)c1O ZINC000095635731 KK Annotated Clean in-vitro C/C=C/C=C/C=C/CCCCCCCCc1cc([C@@H](/C=C/C=C/C=C/C)CCCCCCCc2cccc(O)c2O)cc(O)c1O ZINC000095635732 KK Annotated Clean in-vitro CC/C=C/C=C/C=C\CCCCCCCc1c([C@@H](C)/C=C/C=C/C=C\CCCCCCCc2cccc(O)c2O)ccc(O)c1O ZINC000095635739 KK Annotated Clean in-vitro CC/C=C/C=C/C=C\CCCCCCCc1c([C@H](C)/C=C/C=C/C=C\CCCCCCCc2cccc(O)c2O)ccc(O)c1O ZINC000095635740 KK Annotated Clean in-vitro CCCCCCCCCCCCCCC/C=C\C(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1CO/C(=C2/C(=O)C=CC=C2C)N1)C(=O)O[C@@H](CC)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000095635985 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C\C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1CO/C(=C2/C(=O)C=CC=C2C)N1)C(=O)O[C@H](CC)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000095635986 KK Annotated Mild in-vitro CCCCCCCCCCCCCCC/C=C\C(=O)N(O)CCCC[C@@H](NC(=O)[C@@H]1CO/C(=C2/C(=O)C=CC=C2C)N1)C(=O)O[C@H](CC)[C@@H](C)C(=O)N[C@@H]1CCCCN(O)C1=O ZINC000095635987 KK Annotated Mild in-vitro CC(/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H](O)C(C)(C)O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)\C=C\[C@@H](O)C(C)(C)O ZINC000095636035 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/c1ccc(CO)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C(=O)O)c(C)c1C ZINC000095636054 KK Annotated Bother in-vitro CC(C)=CCC/C(C)=C/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(=O)C(C)(C)O ZINC000095636066 KK Annotated Mild in-vitro CC(/C=C/C=C(C)/C=C/c1ccc(C(=O)O)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C(=O)O)c(C)c1C ZINC000095636072 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(CO)c(C)c1C ZINC000095636087 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C(=O)O)c(C)c1C ZINC000095636107 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/c1ccc(C)c(C)c1C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1ccc(C)c(C)c1C ZINC000095636108 KK Annotated Bother in-vitro CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)C1=C(C)C(=O)c2ccccc2C1=O ZINC000095636161 KK Annotated Mild in-vitro CC1=CCCC(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=C/[C@H]1C(C)=C[C@@H](O)CC1(C)C ZINC000095636247 KK Annotated Bother in-vitro CC1=CCCC(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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C ZINC000095636248 KK Annotated Bother in-vitro Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095660925 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095660991 KK Annotated Anodyne COc1ccc([C@@H]2C/C=C\C[C@@H](c3cccc(Cl)c3)NC(=O)[C@@H](c3ccccc3)CC(=O)N2)c(OC)c1 ZINC000095661080 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3nc4ccccc4s3)ccc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095661087 KK Annotated Anodyne CC1=CCCC(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=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000095661133 KK Annotated Bother in-vitro CC(/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(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 ZINC000095661455 KK Annotated Mild in-vitro CC(/C=C/C=C(C)/C=C/C(=O)[C@@]1(C)C[C@H](O)CC1(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 ZINC000095661457 KK Annotated Mild in-vitro C/C=C\C=C\C=C\[C@H](CCCCCCCc1cccc(O)c1O)OO[C@@H](/C=C/C=C/C=C\C)CCCCCCCc1cccc(O)c1O ZINC000095661638 KK Annotated Reactive in-vitro C/C=C\C=C\C=C\[C@@H](CCCCCCCc1cccc(O)c1O)OO[C@@H](/C=C/C=C/C=C\C)CCCCCCCc1cccc(O)c1O ZINC000095661639 KK Annotated Reactive in-vitro C/C=C\C=C\C=C\[C@H](CCCCCCCc1cccc(O)c1O)OO[C@H](/C=C/C=C/C=C\C)CCCCCCCc1cccc(O)c1O ZINC000095661642 KK Annotated Reactive in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@]23O[C@@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)C[C@H](O)C1 ZINC000095661651 KK Annotated Bother in-vitro C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000095661718 KK Annotated Bother in-vitro 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(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000095661722 KK Annotated Bother in-vitro Cc1ccccc1NC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3C(=O)N2C)O1 ZINC000095661750 KK Annotated Anodyne CC(=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)/C=C/[C@]12O[C@@]1(C)C[C@@H](O)CC2(C)C ZINC000095661764 KK Annotated Bother in-vitro CC(=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)/C=C/[C@]12O[C@@]1(C)C[C@H](O)CC2(C)C ZINC000095661765 KK Annotated Bother in-vitro COc1ccc([C@H]2C/C=C\C[C@H](c3cccc(Cl)c3)NC(=O)[C@@H](c3ccccc3)CC(=O)N2)c(OC)c1 ZINC000095661828 KK Annotated Anodyne COc1ccc([C@H]2C/C=C\C[C@@H](c3cccc(Cl)c3)NC(=O)[C@H](c3ccccc3)CC(=O)N2)c(OC)c1 ZINC000095661895 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095661952 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095661970 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095662017 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095662257 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095662285 KK Annotated Anodyne O=C1[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2cc(nn2)COC[C@@H]2CCCCN2C(=O)[C@H](Cc2ccc(C(F)(F)F)cc2)CCn2cc(nn2)COC[C@@H]2CCCCN12 ZINC000095662701 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CCN(CC2CCCCC2)CC1 ZINC000095663004 KK Annotated Anodyne CN(C)C(=O)c1cc2c(c(-c3cccc(/C=C/c4ccccc4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095663143 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095663329 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCN(Cc4ccccc4)CC3)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095663331 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095663463 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095663671 KK Annotated Anodyne COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5cccc(C#N)c5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095663921 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N4CCN(Cc5ccccc5)CC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095664015 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N4CCN(Cc5ccccc5)CC4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095664018 KK Annotated Mild COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095664044 KK Annotated Anodyne COc1cc(CN2CC3(CCN(C(=O)Nc4cccc(F)c4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@H]2CO)cc(OC)c1 ZINC000095664235 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095664401 KK Annotated Anodyne COc1ccc(C#Cc2cccc(-c3nc(C(=O)N4CCN(Cc5ccccc5)CC4)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095664457 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N4CCN(Cc5ccccc5)CC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095664459 KK Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095664494 KK Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](CO)N3C)cc1 ZINC000095664622 KK Annotated Mild O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095665136 KK Annotated Anodyne COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1-c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000095665505 KK Annotated Anodyne CN(C)CC#Cc1cccc(-c2nc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095665526 KK Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)Nc3ccc(-c4ccccc4)cc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095665528 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCc4ccc5c(c4)OCO5)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095665530 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCc4ccc5c(c4)OCO5)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095665533 KK Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)NCc3ccc(Oc4ccccc4)cc3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095665538 KK Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)NCc3ccc(Oc4ccccc4)cc3)cc3c2[C@@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095665540 KK Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)NCc3ccc(Oc4ccccc4)cc3)cc3c2[C@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095665556 KK Annotated Mild CN(C)CC#Cc1cccc(-c2nc(C(=O)NCc3ccc(Oc4ccccc4)cc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095665558 KK Annotated Mild CC(C)N1C[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665568 KK Annotated Anodyne CC(C)N1C[C@@H](CN(C)[C@@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665585 KK Annotated Anodyne CC(C)N1C[C@@H](CN(C)[C@H](C)c2ccc(Cl)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665587 KK Annotated Anodyne CC(C)N1C[C@@H](CN(C)CCc2ccc(Cl)c(Cl)c2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095665594 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Oc2ccccc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000095665897 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095666280 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666412 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCCC1)CC31CCN(Cc2nccs2)CC1 ZINC000095666479 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095666679 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095666753 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095668800 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095668803 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095668821 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095668831 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095668834 KK Annotated Mild O=C(Nc1ccc(F)cc1)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000095668839 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095678528 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095678529 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095678530 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095678531 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095678532 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679054 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679055 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679056 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679057 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679058 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679059 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095679060 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679061 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095679062 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095679107 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095679110 KK Annotated Anodyne CC(C)(C)c1ccc(CCCC(CCCc2ccc(C(C)(C)C)cc2)NCCCNCCCNCCCN)cc1 ZINC000095679177 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095679280 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095679281 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095679282 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095679283 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095679286 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3c(C)noc3C)ccc2OC[C@@H](C)N(C(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000095679287 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCC3)ccc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095679334 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCC3)cc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095679336 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095679714 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095679715 KK Annotated Anodyne COc1ccc(CN2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680088 KK Annotated Anodyne COc1ccc(CN2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680089 KK Annotated Anodyne COc1ccc(CN2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680090 KK Annotated Anodyne COc1ccc(CN2C[C@@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680091 KK Annotated Anodyne COc1ccc(CN2C[C@@H](C)[C@@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680092 KK Annotated Anodyne COc1ccc(CN2C[C@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@@H]2C)cc1 ZINC000095680093 KK Annotated Anodyne COc1ccc(CN2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3cc(NC(=O)c4nc5ccccc5s4)ccc3OC[C@H]2C)cc1 ZINC000095680094 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680108 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680110 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680112 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095680113 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095680114 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3nc4ccccc4s3)cc2OC[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000095680149 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095680150 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095680152 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095680153 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095680154 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095680155 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680168 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680169 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680172 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680173 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680174 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680175 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680176 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095680197 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095680199 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095680200 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095680202 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095680204 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095680206 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095680207 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1cc(-c3ccccc3)on1)[C@H](C)CO2 ZINC000095680209 KK Annotated Anodyne CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095680211 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095680263 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095680264 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095680266 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095680267 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095680268 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095680270 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095680271 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095680272 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095680290 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)NC3CCCCC3)cc2OC[C@@H](C)N(CCc2ccccc2)C[C@H]1C ZINC000095680344 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095680348 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095680350 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H](C)N(CCC(F)(F)F)C[C@@H]1C ZINC000095680351 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095680353 KK Annotated Anodyne COc1ccccc1CN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3OC)ccc2OC[C@H]1C ZINC000095680355 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3Cl)cc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095680508 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680542 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680544 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680547 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680550 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095680552 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680556 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095680557 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095680641 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095680930 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@@H]([N+]3(C)CCCCC3)[C@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1 ZINC000095681437 KK Annotated Bother CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(Oc4ccccc4)cc3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095687007 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095687008 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095687009 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095687010 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095687011 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095687012 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095687013 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095687014 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(Cl)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095687015 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(C(=O)Nc2ccccc2F)C[C@H]1C ZINC000095687096 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(C(=O)Nc2ccccc2F)C[C@H]1C ZINC000095687149 KK Annotated Anodyne COc1ccccc1CN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3OC)cc2OC[C@H]1C ZINC000095687717 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2OC[C@@H](C)N(C(=O)c2ccc(F)cc2)C[C@H]1C ZINC000095688777 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688959 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688960 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688961 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688962 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@H](OC)CN(C)C2=O ZINC000095688963 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@@H](OC)CN(C)C2=O ZINC000095688964 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095688965 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095688966 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095688967 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095688968 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000095689131 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095689157 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095689159 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095689161 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095689163 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095689165 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC(C)C)ccc2OC[C@@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@H]1C ZINC000095689167 KK Annotated Anodyne CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095689742 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H](C)N(Cc2ccccc2F)C[C@H]1C ZINC000095689956 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095690322 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095690324 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095690326 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095690328 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095690330 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095690332 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095690334 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095690336 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@@H](C)N(CCC(F)(F)F)C[C@H]1C ZINC000095690846 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000095691127 KK Annotated Anodyne COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC(F)(F)F)[C@H](C)CO3)c1 ZINC000095691419 KK Annotated Anodyne COc1ccc(CN2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@@H]2C)cc1 ZINC000095691750 KK Annotated Anodyne COc1ccc(CN2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@H]2C)cc1 ZINC000095691881 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)N(Cc2ccccc2C(=O)O)C[C@H]1C ZINC000095691943 KK Annotated Anodyne COc1ccc(CN2C[C@H](C)[C@@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@@H]2C)cc1 ZINC000095691993 KK Annotated Anodyne COc1ccc(CN2C[C@@H](C)[C@H](OC)CN(C)C(=O)c3ccc(NC(=O)c4nc5ccccc5s4)cc3OC[C@H]2C)cc1 ZINC000095692023 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095692176 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095692225 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095692268 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095692352 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095692358 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095692558 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095692659 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3cccc(F)c3)ccc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095692714 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095693476 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3c(C)noc3C)cc2OC[C@@H](C)N(C(=O)Nc2cccc(Cl)c2)C[C@H]1C ZINC000095693605 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1cc(-c3ccccc3)on1)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095693633 KK Annotated Anodyne COc1ccccc1NC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(Cc1ccccc1C(=O)O)C[C@@H](C)[C@H](OC)CN(C)C2=O ZINC000095693637 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC[C@@H](C)N(C(C)=O)C[C@H]1C ZINC000095693641 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095693770 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095693774 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@H](C)CO2 ZINC000095693859 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095693862 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(Cc1ccc(-c3ccccn3)cc1)[C@@H](C)CO2 ZINC000095693941 KK Annotated Anodyne O=C(OCCN1CCN(c2cccc(SC(F)(F)F)c2)CC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12 ZINC000095696497 KK Annotated Anodyne CCN(CC)c1ccc2c(C#N)c3ccc(N(CC)CCCCCC(=O)ON4C(=O)CCC4=O)cc3[o+]c2c1 ZINC000095696877 KK Annotated Mild O=C(ON1C(=O)CCC1=O)c1ccc(-c2c3cc4c5c(c3[o+]c3c6c7c(cc23)CCCN7CCC6)CCCN5CCC4)c(C(=O)O)c1 ZINC000095696916 KK Annotated Mild C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095703157 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095703158 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095703159 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095703160 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095703161 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2cc(-c3ccncc3)ccc2S1(=O)=O ZINC000095703162 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(-c3ccncc3)cc2O[C@@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1 ZINC000095703163 KK Annotated Anodyne COc1cc(NS(=O)(=O)CCCCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)c(OC)c2)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000095721509 KK Annotated Clean C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095732175 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095732300 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095732314 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O ZINC000095732318 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095732368 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095732392 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095732652 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C(=O)Nc1cc(F)ccc1F ZINC000095732773 KK Annotated Anodyne CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OCCCCOc2cc(NS(C)(=O)=O)ccc2Nc2c3ccccc3nc3ccccc23)c1 ZINC000095754017 KK Annotated Clean COC[C@H](C)N1C[C@@H](C)[C@H](CN(C)Cc2cc(OC)c3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc(N(C)C)cc2C1=O ZINC000095771228 KK Annotated Clean COC[C@H](C)N1C[C@@H](C)[C@H](CN(C)Cc2cc(OC)c3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc(N(C)C)cc2C1=O ZINC000095771638 KK Annotated Clean O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000095771704 KK Annotated Anodyne COc1cc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)ccc1F ZINC000095771705 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(F)cc1 ZINC000095771706 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2cc(F)c(F)cc23)c1 ZINC000095771715 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(C(F)(F)F)cc1 ZINC000095771733 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(Br)cc23)c1 ZINC000095771734 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(Cl)cc1 ZINC000095771735 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(F)c(Cl)c1 ZINC000095771736 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(Cl)c(Cl)c2)[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000095771737 KK Annotated Anodyne CCCOc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)c1 ZINC000095771738 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)n1 ZINC000095771739 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1cccc(F)c1 ZINC000095771740 KK Annotated Anodyne CC(C)c1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)c1 ZINC000095771743 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(Cl)s1 ZINC000095771744 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)c1 ZINC000095771745 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000095771746 KK Annotated Bother Cc1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)o1 ZINC000095771747 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc([N+](=O)[O-])cc31)[C@H]2c1ccc(F)cc1 ZINC000095771748 KK Annotated Bother O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(Cl)cc31)[C@H]2c1ccc(F)cc1 ZINC000095771751 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2C1CCCCC1 ZINC000095771752 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(F)cc1Cl ZINC000095771753 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2)[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000095771754 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccccc1 ZINC000095771755 KK Annotated Anodyne N#Cc1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)cc1 ZINC000095771756 KK Annotated Mild COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(Cl)cc23)c1 ZINC000095771757 KK Annotated Anodyne COc1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)cc1 ZINC000095771758 KK Annotated Anodyne CCCOc1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)cc1 ZINC000095771759 KK Annotated Anodyne O=C(O)[C@@H]1[C@@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000095771760 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1cccc(Cl)c1 ZINC000095771761 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc(F)c(F)c1 ZINC000095771762 KK Annotated Anodyne CC(C)c1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)cc1 ZINC000095771763 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2cc(F)ccc23)c1 ZINC000095771764 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1cncc(Cl)c1 ZINC000095771765 KK Annotated Anodyne COc1ccccc1[C@H]1N2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](C(=O)O)[C@]12C(=O)Nc1ccc(I)cc12 ZINC000095771767 KK Annotated Anodyne COc1cc(F)ccc1[C@H]1N2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](C(=O)O)[C@]12C(=O)Nc1ccc(I)cc12 ZINC000095771768 KK Annotated Anodyne CCCOc1ccccc1[C@H]1N2[C@H](C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@@H](C(=O)O)[C@]12C(=O)Nc1ccc(I)cc12 ZINC000095771769 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(C)cc23)c1 ZINC000095771770 KK Annotated Anodyne CN1C(=O)[C@@]2(c3cc(Cl)ccc31)[C@H](C(=O)O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(F)cc1 ZINC000095771771 KK Annotated Anodyne COc1cc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)cc(F)c1F ZINC000095771772 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc2c(c1)OCO2 ZINC000095771773 KK Annotated Anodyne COc1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(I)cc23)cc1OC ZINC000095771775 KK Annotated Anodyne COc1cccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(F)cc23)c1 ZINC000095771776 KK Annotated Anodyne COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)O)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(F)cc1 ZINC000095771777 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(F)cc1 ZINC000095771778 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccc2occc2c1 ZINC000095771779 KK Annotated Anodyne COc1ccc([C@H]2N3[C@H](C(=O)O[C@H](c4ccccc4)[C@@H]3c3ccccc3)[C@@H](C(=O)O)[C@]23C(=O)Nc2ccc(Cl)cc23)cc1 ZINC000095771780 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2)c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1cccs1 ZINC000095771823 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1cccs1 ZINC000095771824 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(Cl)cc31)[C@H]2c1ccccc1 ZINC000095771825 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1cccnc1 ZINC000095771829 KK Annotated Anodyne Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)O)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1 ZINC000095771831 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccnc(Cl)c1 ZINC000095771832 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000095771862 KK Annotated Mild C=CCOC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(I)cc12 ZINC000095771863 KK Annotated Mild COCCCNC(=O)[C@@]1(Cc2ccccc2)c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccncc1 ZINC000095771864 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccncc1 ZINC000095771865 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(I)cc31)[C@H]2c1ccccc1Cl ZINC000095771874 KK Annotated Anodyne O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCCN2CCOCC2)[C@@H](c2ccc(CO)cc2)N1Cc1ccccc1 ZINC000095771881 KK Annotated Anodyne O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCCN2CCOCC2)[C@H](c2ccc(CO)cc2)N1Cc1ccccc1 ZINC000095771882 KK Annotated Anodyne CCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000095783356 KK Annotated Anodyne CCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000095783358 KK Annotated Anodyne CN(C)CCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@H]2c1ccccc1 ZINC000095783360 KK Annotated Anodyne O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)O)[C@@H](c2ccccc2)N1Cc1ccccc1 ZINC000095783362 KK Annotated Anodyne O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)O)[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000095783364 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(CO)cc1 ZINC000095783368 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(CO)cc1 ZINC000095783370 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccc(CO)cc1 ZINC000095783372 KK Annotated Anodyne CN(C)CCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(CO)cc1 ZINC000095783374 KK Annotated Anodyne CN(C)CCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccc(CO)cc1 ZINC000095783376 KK Annotated Anodyne CN(C)CCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(Cc1ccccc1)[C@@H]2c1ccc(CO)cc1 ZINC000095783379 KK Annotated Anodyne CC(C)NC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 ZINC000095783387 KK Annotated Anodyne CC(C)NC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000095783389 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCC4)cc31)[C@H]2C1CCCCC1 ZINC000095783395 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCC4)cc31)[C@H]2c1ccccc1 ZINC000095783397 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccccc1 ZINC000095783399 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2C1CCCCC1 ZINC000095783402 KK Annotated Mild COCCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000095783404 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 ZINC000095783406 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@@H]2c1ccc(CO)cc1 ZINC000095783408 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@@H]2c1ccccc1 ZINC000095783415 KK Annotated Anodyne COCCCN1C(=O)[C@@]2(Cc3ccccc31)c1ccccc1C(=O)N(C1CCCCC1)[C@H]2c1ccccc1 ZINC000095783418 KK Annotated Anodyne CO[C@H]1O[C@H](CO)[C@@H](OC(=O)Nc2ccccc2-c2ccccc2)[C@H](OC(=O)Nc2ccc3c(c2)OCO3)[C@@H]1OC(=O)Nc1ccc2c(c1)OCO2 ZINC000095783698 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)Nc3nc4ccccc4s3)[C@H]12 ZINC000095783704 KK Annotated Anodyne O[C@@H](Cc1ccccc1)[C@@H](/C=C/C1CC1)N(CC#Cc1ccccc1)Cc1ccccc1Br ZINC000095783755 KK Annotated Mild O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000095783795 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095783842 KK Annotated Mild O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 ZINC000095783978 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784011 KK Annotated Mild NC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784015 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000095784017 KK Annotated Anodyne NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784021 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)O)[C@H]12 ZINC000095784025 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCCCCCC1 ZINC000095784031 KK Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784033 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3=CCCCC3)cc12 ZINC000095784036 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)Nc1nc3ccccc3s1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000095784038 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(N)=O ZINC000095784040 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784042 KK Annotated Mild O=C1c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCc2ccccc2)[C@H](c2ccc(CO)cc2)N1C1CCCCC1 ZINC000095784050 KK Annotated Anodyne C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3=CCCCC3)cc12 ZINC000095784058 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(O)cc3)[C@@]13C(=O)Nc1ccc(C#CCCO)cc13)CC2 ZINC000095784061 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784066 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(O)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)NC[C@H](O)c1ccccc1)C(=O)OC ZINC000095784068 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784071 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000095784073 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(O)cc3)[C@]13C(=O)Nc1ccccc13)CC2 ZINC000095784075 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784079 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784082 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784086 KK Annotated Anodyne COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)NC[C@H](O)c2ccccc2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(O)cc1)C(=O)OC ZINC000095784088 KK Annotated Mild NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784096 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3=CCCCC3)cc12 ZINC000095784098 KK Annotated Mild NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784103 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000095784112 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784117 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784119 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000095784125 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(N)=O ZINC000095784128 KK Annotated Mild COC(=O)C(CC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCCCCCC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(O)cc1)C(=O)OC ZINC000095784130 KK Annotated Mild COc1ccccc1CN1C(=O)c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(CO)cc1 ZINC000095784132 KK Annotated Anodyne C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784208 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCCCCCC2)cc1 ZINC000095784213 KK Annotated Mild COc1ccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@@H](OC)O[C@@H]2CO)cc1 ZINC000095784216 KK Annotated Anodyne C[C@H]1ON(c2ccc(C(=O)OC(C)(C)C)cc2)[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)N1C(=O)OC[C@@H]1c1ccccc1 ZINC000095784264 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(O)cc1 ZINC000095784268 KK Annotated Anodyne NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCCCCCC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccc(O)cc1 ZINC000095784270 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784272 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784275 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(N)=O ZINC000095784332 KK Annotated Mild NC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784334 KK Annotated Mild NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784336 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095784339 KK Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(N)=O)cc1 ZINC000095784342 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000095784344 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCCCCCC3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000095784346 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccccc1OCCO ZINC000095784348 KK Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(N)=O)cc1 ZINC000095784350 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784354 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(N)=O)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000095784356 KK Annotated Mild NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784357 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784359 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12 ZINC000095784361 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095784363 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccccc2OCCO)[C@@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784365 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(OCCO)cc3)[C@]13C(=O)Nc1ccccc13)CC2 ZINC000095784367 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784369 KK Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784372 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12 ZINC000095784373 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(O)cc1 ZINC000095784379 KK Annotated Mild NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)Nc2nc3ccccc3s2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO ZINC000095784381 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784382 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)O)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccccc2OCCO)cc1 ZINC000095784383 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784387 KK Annotated Mild O=C(NCc1ccccc1)[C@H](c1ccco1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000095784393 KK Annotated Anodyne O=C(NCc1ccccc1)[C@@H](c1ccco1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1 ZINC000095784395 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@]2(Sc3ccc(C)cc3)CC(=O)N(C3CCCCC3)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000095784397 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CCCO)ccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000095784426 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccc(OCCO)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000095784434 KK Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3=CCCCC3)cc12 ZINC000095784438 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000095784443 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)N(C(=O)OCCOC)c1ccccc12 ZINC000095784445 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(O)cc1 ZINC000095784452 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CCCO)cc31)[C@H]2c1ccc(O)cc1 ZINC000095784456 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784465 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784467 KK Annotated Anodyne C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784469 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(N)=O)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(O)cc2)cc1 ZINC000095784471 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(O)cc2)cc1 ZINC000095784472 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000095784476 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784479 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(O)cc2)cc1 ZINC000095784481 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095784482 KK Annotated Mild NC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784486 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095784489 KK Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(O)cc3)[C@@]13C(=O)Nc1ccc(C#CC4=CCCCC4)cc13)CC2 ZINC000095784494 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095784496 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)N3CCN(c4ncccn4)CC3)[C@H]12 ZINC000095784500 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)NC[C@H](O)c3ccccc3)[C@H]12 ZINC000095784502 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)O)[C@H]12 ZINC000095784506 KK Annotated Mild NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)N2CCCCCCC2)[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@@H]1c1ccccc1OCCO ZINC000095784512 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784522 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(O)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(N)=O)cc1 ZINC000095784525 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784532 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784536 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(O)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)NC[C@H](O)c2ccccc2)cc1 ZINC000095784538 KK Annotated Mild NC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095784540 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccccc3OCCO)[C@]13C(=O)Nc1ccc(C#CCCO)cc13)CC2 ZINC000095784543 KK Annotated Mild NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccc(OCCO)cc2)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1 ZINC000095784546 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(O)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000095784551 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)O)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(OCCO)cc2)cc1 ZINC000095784553 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)N3CCCCCCC3)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(O)cc2)cc1 ZINC000095784557 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccc(O)cc3)[C@]13C(=O)Nc1ccc(C#CC4=CCCCC4)cc13)CC2 ZINC000095784565 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000095784574 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(OCCO)cc2)[C@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095784580 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(O)cc3)[C@@]13C(=O)Nc1ccccc13)CC2 ZINC000095784583 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095784585 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(O)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)O)cc1 ZINC000095784587 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(=O)O)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(O)cc2)cc1 ZINC000095784590 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095784592 KK Annotated Mild O=C(Nc1ccccc1)C1=C[C@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@H](OCc2ccc(CO)cc2)O1 ZINC000095784609 KK Annotated Anodyne O=C(C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095784632 KK Annotated Anodyne O=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1 ZINC000095784634 KK Annotated Anodyne CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C(CCCO)[C@@H]2[C@H](c2ccc(CN3CCCC3)cc2)N1Cc1sc2ccccc2c1Cl ZINC000095784694 KK Annotated Anodyne CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C(CCCO)[C@@H]2[C@H](c2ccc(CN3CCCC3)cc2)N1Cc1sc2ccccc2c1Cl ZINC000095784696 KK Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)[C@H]1[C@@H]3C(=O)O[C@@H](c4ccccc4)[C@@H](c4ccccc4)N3[C@@H](c3ccccc3OCCO)[C@]13C(=O)Nc1ccccc13)CC2 ZINC000095784702 KK Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](C(N)=O)[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@@H]2c2ccc(OCCO)cc2)cc1 ZINC000095784704 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095784706 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccccc3OCCO)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)Nc3nc4ccccc4s3)[C@H]12 ZINC000095784712 KK Annotated Mild COC(=O)CCCCCCC(=O)Nc1ccc([C@@H]2O[C@H](CSc3ccccn3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784718 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@H]2O[C@H](CSc3ccccn3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784722 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@@H]2O[C@@H](CSc3ccccn3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784724 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3ccccn3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784726 KK Annotated Anodyne CC(C)NC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2C(F)(F)F)[C@H]1c1ccc(CO)cc1 ZINC000095784748 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@@H]2O[C@H](CSc3nc4ccccc4s3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784767 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@H]2O[C@H](CSc3nc4ccccc4s3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784769 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@@H]2O[C@@H](CSc3nc4ccccc4s3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784771 KK Annotated Anodyne COC(=O)CCCCCCC(=O)Nc1ccc([C@H]2O[C@@H](CSc3nc4ccccc4s3)C[C@H](c3ccccc3)O2)cc1 ZINC000095784773 KK Annotated Anodyne COc1ccc(COC[C@]23N=C4SCc5ccccc5C(=O)N4[C@H](c4ccccc4O2)[C@H]3COC(=O)c2ccccc2)cc1 ZINC000095784787 KK Annotated Anodyne COc1ccc(COC[C@]23N=C4SCCCN4[C@H](c4ccccc4O2)[C@H]3COC(=O)c2ccccc2)cc1 ZINC000095784827 KK Annotated Anodyne COc1ccc(COC[C@]23N=C4SCc5ccccc5CN4[C@H](c4ccccc4O2)[C@H]3COC(=O)c2ccccc2)cc1 ZINC000095784834 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc([C@H]2C[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O[C@@H](c3ccccc3)O2)cc1 ZINC000095785088 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc([C@H]2C[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O[C@@H](c3ccccc3)O2)cc1 ZINC000095785092 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc([C@@H]2C[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O[C@@H](c3ccccc3)O2)cc1 ZINC000095785095 KK Annotated Anodyne O=C(O)CCCCCCC(=O)Nc1ccc([C@@H]2C[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)O[C@@H](c3ccccc3)O2)cc1 ZINC000095785097 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccc(O)cc1 ZINC000095785167 KK Annotated Anodyne C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095785171 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)O)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(O)cc1 ZINC000095785173 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095785175 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccc(C#CC5(O)CCCCCC5)cc43)[C@@H](C(=O)O)[C@H]12 ZINC000095785177 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(OCCO)cc1 ZINC000095785180 KK Annotated Mild C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(OCCO)cc2)[C@@]12C(=O)Nc1ccc(C#CC3=CCCCC3)cc12 ZINC000095785185 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CCCO)cc31)[C@H]2c1ccccc1OCCO ZINC000095785188 KK Annotated Mild O=C(C1=C[C@H](c2ccc(Br)cc2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1 ZINC000095785228 KK Annotated Anodyne COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(OCCO)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCCCCCC2)cc1 ZINC000095785284 KK Annotated Mild NC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccccc2OCCO)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095785286 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000095785297 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccccc3OCCO)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)O)cc1 ZINC000095785299 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](c1ccccc1OCCO)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(N)=O ZINC000095785303 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(OCCO)cc1 ZINC000095785306 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCCCCCC1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccc(O)cc1 ZINC000095785321 KK Annotated Mild CCCNC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)CC(=O)N(CC23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(CO)cc1I ZINC000095785334 KK Annotated Bother COCCCNC(=O)[C@@]1(Sc2ccc(C)cc2)CC(=O)N(C2CCCCC2)[C@@H]1c1ccc(CO)cc1I ZINC000095785351 KK Annotated Anodyne Cc1ccc(S[C@]2(C(=O)NCc3ccccc3)CC(=O)N(C3CCCCC3)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000095785354 KK Annotated Anodyne COc1ccc(CCNC(=O)[C@@]2(Sc3ccc(C)cc3)CC(=O)N(C(C)C)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000095785357 KK Annotated Anodyne Cc1ccc(S[C@]2(C(=O)NCCCN(C)C)CC(=O)N(C3CCCCC3)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000095785363 KK Annotated Anodyne Cc1ccc(S[C@]2(C(=O)NCC(F)(F)F)CC(=O)N(C3CCCCC3)[C@@H]2c2ccc(CO)cc2I)cc1 ZINC000095785366 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC000095785371 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(N)=O ZINC000095785373 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccccc13)CC2 ZINC000095785378 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)O)[C@H]12 ZINC000095785381 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4=CCCCC4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000095785382 KK Annotated Mild COc1ccc(C#Cc2ccc3c(c2)[C@]2(C(=O)N3)[C@H](c3ccc(O)cc3)N3[C@H](c4ccccc4)[C@H](c4ccccc4)OC(=O)[C@H]3[C@@H]2C(=O)N2CCCCCCC2)cc1 ZINC000095785385 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CC5=CCCCC5)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095785389 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccccc31)[C@H]2c1ccccc1OCCO ZINC000095785392 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)N1CCc3cc(OC)c(OC)cc3C1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000095785393 KK Annotated Anodyne O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)N1CCN(c3ncccn3)CC1)[C@]1(C(=O)Nc3ccc(C#CC4(O)CCCCCC4)cc31)[C@H]2c1ccc(O)cc1 ZINC000095785398 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095785400 KK Annotated Mild COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccc(OCCO)cc3)[C@@]13C(=O)Nc1ccccc13)CC2 ZINC000095785402 KK Annotated Anodyne COc1cc2c(cc1OC)CN(C(=O)[C@@H]1[C@H]3C(=O)O[C@H](c4ccccc4)[C@H](c4ccccc4)N3[C@H](c3ccccc3OCCO)[C@@]13C(=O)Nc1ccc(C#CCCO)cc13)CC2 ZINC000095785409 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccc(C#CCCO)cc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095785411 KK Annotated Mild O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(O)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)N3CCCCCCC3)[C@H]12 ZINC000095785412 KK Annotated Anodyne C=CCNC(=O)[C@@H]1[C@H]2C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N2[C@H](c2ccc(O)cc2)[C@@]12C(=O)Nc1ccc(C#Cc3ccc(OC)cc3)cc12 ZINC000095785417 KK Annotated Mild O=C1O[C@H](c2ccccc2)[C@H](c2ccccc2)N2[C@H]1[C@@H](C(=O)NC[C@H](O)c1ccccc1)[C@]1(C(=O)Nc3ccc(C#CC4=CCCCC4)cc31)[C@H]2c1ccccc1OCCO ZINC000095785420 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#CC4(O)CCCCCC4)ccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(N)=O ZINC000095785422 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3cc(C#Cc4ccc(OC)cc4)ccc31)[C@H](C(N)=O)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccccc1OCCO ZINC000095785426 KK Annotated Mild C=CCNC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)N(C(=O)OCCOC)c1ccccc12 ZINC000095785430 KK Annotated Mild COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](c1ccc(O)cc1)N1[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]1[C@@H]2C(=O)NC[C@H](O)c1ccccc1 ZINC000095785432 KK Annotated Anodyne COCCOC(=O)N1C(=O)[C@@]2(c3ccccc31)[C@H](C(=O)NC[C@H](O)c1ccccc1)[C@H]1C(=O)O[C@H](c3ccccc3)[C@H](c3ccccc3)N1[C@@H]2c1ccc(O)cc1 ZINC000095785434 KK Annotated Anodyne COc1ccc(CCN2C(=O)[C@@]3(Cc4ccccc42)c2ccccc2C(=O)N(Cc2ccccc2C(F)(F)F)[C@H]3c2ccc(CO)cc2)cc1 ZINC000095785437 KK Annotated Anodyne COc1ccccc1CN1C(=O)c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCC(C)C)[C@@H]1c1ccc(CO)cc1 ZINC000095785439 KK Annotated Anodyne COc1ccccc1CN1C(=O)c2ccccc2[C@](Cc2ccccc2I)(C(=O)NCCCN(C)C)[C@@H]1c1ccc(CO)cc1 ZINC000095785441 KK Annotated Anodyne COCCCNC(=O)[C@@]1(Cc2ccccc2I)c2ccccc2C(=O)N(Cc2ccccc2OC)[C@H]1c1ccc(CO)cc1 ZINC000095785443 KK Annotated Anodyne O=C1C[C@@](C(=O)NCc2ccccc2)(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(CO)cc2I)N1CC12CC3CC(CC(C3)C1)C2 ZINC000095785446 KK Annotated Bother COc1cc(NS(=O)(=O)CCCCCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)c(OC)c2)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000095785597 KK Annotated Clean CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095793499 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc(Oc4ccccc4)cc3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095793500 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095793501 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095793517 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095793533 KK Annotated Anodyne CC(C)NC(=O)N1Cc2cc(C(=O)NC3CCCCC3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095793597 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095793669 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(=O)c2ccccc2)CC1 ZINC000095793670 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095793683 KK Annotated Anodyne COc1cc(CN2CC3(CCN(C(=O)Nc4cccc(F)c4)CC3)c3c(n(C)c4cc(OC)ccc34)[C@@H]2CO)cc(OC)c1 ZINC000095793728 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc(F)cc2F)CC1 ZINC000095793736 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CCN(CC2CCCCC2)CC1 ZINC000095793779 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCCC1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095793819 KK Annotated Anodyne O=C(Nc1ccc(F)cc1)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 ZINC000095794411 KK Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cc5ccccc5o4)c3)n1)[C@@H](CCO)N(C(=O)NC(C)C)C2 ZINC000095794779 KK Annotated Anodyne Cc1ccc(C(C)(C)C)cc1CCCC(CCCc1cc(C(C)(C)C)ccc1C)NCCNCCNCCN ZINC000095795390 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccccc4)c3)c2[C@H]1CCO ZINC000095796023 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@H]1C ZINC000095796118 KK Annotated Anodyne CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(F)c3)cc2OC[C@@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095796176 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccccc4)c3)c2[C@@H]1CCO ZINC000095796300 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2OC[C@H](C)N(Cc2ccccc2C(=O)O)C[C@@H]1C ZINC000095796359 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CCN(C(=O)CC2CC2)CC1 ZINC000095796426 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(C4=CCCC4)c3)c2[C@@H]1CCO ZINC000095796481 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000095796541 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000095796542 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095796728 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095796729 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccncc1)CC31CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC000095796784 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccncc1)CC31CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC000095796785 KK Annotated Anodyne NC(=O)[C@H]1[C@@H]2C(=O)O[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2[C@@H](c2ccc(O)cc2)[C@]12C(=O)Nc1ccc(C#CC3(O)CCCCCC3)cc12 ZINC000095797395 KK Annotated Mild C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095797985 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095797990 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000095797991 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@H]1CCO ZINC000095797992 KK Annotated Anodyne NC(=O)NCC#Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](c2ccccc2OCCO)N2[C@H](c3ccccc3)[C@H](c3ccccc3)OC(=O)[C@H]2[C@@H]1C(=O)N1CCCCCCC1 ZINC000095798322 KK Annotated Mild O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000095808255 KK Annotated Reactive COc1cc(NS(=O)(=O)CCCCS(=O)(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)c(OC)c2)ccc1Nc1c2ccccc2nc2ccccc12 ZINC000095831709 KK Annotated Clean C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)CC1CCCCC1 ZINC000095834003 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095834161 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CCCCC1 ZINC000095834215 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)CC1CCCCC1 ZINC000095834249 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12 ZINC000095835259 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095835303 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CCCCC1 ZINC000095836204 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12 ZINC000095836674 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095836705 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)CC1CCCCC1 ZINC000095836873 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)CC1CCCCC1 ZINC000095836986 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc23)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095837649 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1cccc2ccccc12 ZINC000095837652 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1ccccc1 ZINC000095838568 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1cccc2ccccc12 ZINC000095845877 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccccc1 ZINC000095846138 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)C(=O)Nc1ccccc1 ZINC000095847444 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C1=O ZINC000095847495 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccccc1 ZINC000095847987 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@@H]1CN(C)C(=O)Nc1ccccc1 ZINC000095849194 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc(NC(=O)Cc3cn(C)c4ccccc34)cc2C1=O ZINC000095850649 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095854671 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095854695 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095854897 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095855097 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095855700 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095856130 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095856856 KK Annotated Anodyne C[n+]1ccc(Nc2ccc(S(=O)(=O)Nc3ccc(Nc4c5ccccc5[n+](C)c5cc(N)ccc45)cc3)cc2)cc1 ZINC000095859252 KK Annotated Clean Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095859278 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C ZINC000095859946 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C ZINC000095859950 KK Annotated Anodyne Cc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2c(NC(=O)c3ccc(-c4nccs4)cc3)cccc2C(=O)N([C@H](C)CO)C[C@H]1C ZINC000095860726 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000095861710 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095865046 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095865085 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095865120 KK Annotated Anodyne CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095865132 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Oc2ccccc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000095865197 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095865231 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095865239 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095865271 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000095865489 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cc(-c3ccccc3)on2)CC1 ZINC000095865533 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2ccccc2F)CC1 ZINC000095865551 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2ccccc2F)CC1 ZINC000095865553 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095865573 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)Nc2cccc(F)c2)CC1 ZINC000095865574 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cccc(F)c2)CC1 ZINC000095865929 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(C(=O)Nc2c(C)noc2C)CC1 ZINC000095865958 KK Annotated Anodyne O=C1O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2[C@@H](c3ccc(OCCO)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H](C(=O)Nc3nc4ccccc4s3)[C@H]12 ZINC000095866324 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095867026 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095867027 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095867054 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095867059 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@H]1CCO ZINC000095867144 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@H]1CCO ZINC000095867145 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095867174 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095867175 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc4c3[C@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095867176 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095867177 KK Annotated Mild COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(-c3ccccc3)on2)C1 ZINC000095867778 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(Cc2cc(-c3ccccc3)on2)C1 ZINC000095867779 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccc(Cl)cc1)CC31CCN(Cc2nccs2)CC1 ZINC000095867817 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccc(Cl)cc1)CC31CCN(Cc2nccs2)CC1 ZINC000095867895 KK Annotated Anodyne CCc1cccc(NC(=O)O[C@H]2[C@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@H](OC(=O)Nc3ccccc3-c3ccccc3)[C@@H](OC)O[C@@H]2CO)c1 ZINC000095868014 KK Annotated Anodyne CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(Cc1ccc(-c3ccccn3)cc1)C[C@H](C)[C@@H](OC)CN(C)C2=O ZINC000095868059 KK Annotated Anodyne CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2OC[C@H](C)N(C(=O)Nc2c(C)noc2C)C[C@@H]1C ZINC000095868123 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095868133 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@@H]1CCO ZINC000095868136 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@H]1CCO ZINC000095868237 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(C#CCC4CCCC4)c3)c2[C@H]1CCO ZINC000095868238 KK Annotated Mild CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)NC(C)C)cc2OC[C@H](C)N(Cc2ccc(-c3ccccn3)cc2)C[C@@H]1C ZINC000095868241 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095868265 KK Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCc3cc(F)cc(F)c3)nc(-c3cccc(C4=CCCC4)c3)c2[C@H]1CCO ZINC000095868277 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095868285 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095868286 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095868747 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095868748 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095868770 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000095868771 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095868774 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095868775 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095868881 KK Annotated Anodyne COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CCN(C(=O)c2ccccc2F)CC1 ZINC000095868882 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cc(F)ccc2F)CC1 ZINC000095868883 KK Annotated Anodyne COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CCN(Cc2cc(F)ccc2F)CC1 ZINC000095868884 KK Annotated Anodyne C[C@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095868921 KK Annotated Anodyne COc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095868922 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095868954 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)Nc3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4cccc(F)c4)c3)c2[C@@H]1CCO ZINC000095868955 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095868959 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@H]2OCc3ccccc3-c3c(n(C)c4ccccc34)C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095868972 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095868992 KK Annotated Anodyne C[C@@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095868994 KK Annotated Anodyne C[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095868996 KK Annotated Anodyne C[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095869016 KK Annotated Anodyne COc1ccc(C#Cc2cccc(-c3nc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095869031 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)Nc4ccc(-c5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095869032 KK Annotated Mild C[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095869090 KK Annotated Anodyne C[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)C(=O)[C@H](C)c1ccccc1 ZINC000095869091 KK Annotated Anodyne CC(=O)N1Cc2cc(C(=O)NCc3cc(F)cc(F)c3)nc(-c3cccc(C4=CCCC4)c3)c2[C@@H]1CCO ZINC000095869101 KK Annotated Anodyne C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)[C@H](C)c2ccccc2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O ZINC000095869126 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095869128 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccc4c(c3)OCO4)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@H]1CCO ZINC000095869129 KK Annotated Anodyne COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCc4ccc5c(c4)OCO5)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095869130 KK Annotated Mild COc1ccc(C#Cc2cccc(-c3nc(C(=O)NCc4ccc5c(c4)OCO5)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1OC ZINC000095869131 KK Annotated Mild COc1cccc(-c2cccc(-c3nc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095869133 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCc4ccc(Oc5ccccc5)cc4)cc4c3[C@@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095869134 KK Annotated Anodyne C[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)Oc1ccccc1 ZINC000095869145 KK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(cccc2-c2nn[nH]n2)C1=O ZINC000095872121 KK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(cccc2-c2cn(-c3ccncc3)nn2)C1=O ZINC000095872122 KK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(cccc2-c2cn(-c3ccncc3)nn2)C1=O ZINC000095872125 KK Annotated Anodyne CC(C)N1C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@H](CN(C)Cc2ccc(Cl)cc2)[C@H]1C ZINC000095872164 KK Annotated Anodyne CC(C)N1CC[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872166 KK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(cccc2-c2nnc(-c3ccncc3)o2)C1=O ZINC000095872168 KK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c(cccc2-c2nnc(-c3ccncc3)o2)C1=O ZINC000095872172 KK Annotated Anodyne CC(C)N1CC2(CN([C@@H](C)c3ccc(Cl)cc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872173 KK Annotated Anodyne CC(C)N1CC2(CN([C@H](C)c3ccc(Cl)cc3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872174 KK Annotated Anodyne Cc1cc(C)c(S(=O)(=O)Nc2cc(C(C(=O)OCc3ccccc3)C(=O)OCc3ccccc3)c(O)c3ccccc23)c(C)c1 ZINC000095872300 KK Annotated Clean CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3cccnc3)cccc2C1=O ZINC000095872309 KK Annotated Anodyne CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccccn3)cccc2C1=O ZINC000095872310 KK Annotated Anodyne CC(C)N1CC2(CN(Cc3ccc(Cl)c(Cl)c3)C2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872323 KK Annotated Anodyne CC(C)N1CC[C@H](CNCc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872329 KK Annotated Anodyne CC(C)N1C[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872353 KK Annotated Anodyne C[C@@H](CO)N1CC[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872354 KK Annotated Anodyne CC(C)N1CC[C@@H](CNCc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872368 KK Annotated Anodyne CC(C)N1C[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872373 KK Annotated Anodyne CC(C)N1CC[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O ZINC000095872377 KK Annotated Anodyne COc1cc(/C=C/C(=O)/C=C2/C=C(c3ccc(O)c(OC)c3)SC(NCCc3ccccc3)=N2)ccc1O ZINC000095872485 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/Cc3ccc4c(c3)OCO4)S[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872486 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/Cc3ccc4c(c3)OCO4)S[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872487 KK Annotated Mild COc1cc([C@@H]2CC(=O)C3=C(S2)N(CCc2ccccc2)[C@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000095872503 KK Annotated Mild COc1cc([C@@H]2CC(=O)C3=C(S2)N(CCc2ccccc2)[C@@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000095872504 KK Annotated Mild COc1cc(-c2cc(=O)c3c(=O)cc(-c4ccc(O)c(OC)c4)n(CCc4ccccc4)c3s2)ccc1O ZINC000095872505 KK Annotated Anodyne COc1cc(-c2cc(=O)c3c(s2)N(CCc2ccccc2)[C@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000095872506 KK Annotated Anodyne COc1cc(-c2cc(=O)c3c(s2)N(CCc2ccccc2)[C@@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000095872507 KK Annotated Anodyne COc1cc(-c2cc(=O)c3c(s2)N(Cc2ccco2)[C@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000095872510 KK Annotated Anodyne COc1cc(-c2cc(=O)c3c(s2)N(Cc2ccco2)[C@@H](c2ccc(O)c(OC)c2)CC3=O)ccc1O ZINC000095872511 KK Annotated Anodyne COc1cc(/C=C/C(=O)CC2=N/C(=N/c3ccc(OC)c(OC)c3)S[C@@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872522 KK Annotated Mild COc1cc(/C=C/C(=O)CC2=N/C(=N/c3ccc(OC)c(OC)c3)S[C@H](c3ccc(O)c(OC)c3)C2)ccc1O ZINC000095872523 KK Annotated Mild CCN(CC)CCC/N=C1/N=C(CC(=O)/C=C/c2ccc(O)c(OC)c2)C[C@H](c2ccc(O)c(OC)c2)S1 ZINC000095872524 KK Annotated Mild CCN(CC)CCC/N=C1/N=C(CC(=O)/C=C/c2ccc(O)c(OC)c2)C[C@@H](c2ccc(O)c(OC)c2)S1 ZINC000095872525 KK Annotated Mild CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872530 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872531 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872539 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872540 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095872549 KK Annotated Anodyne CCOC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095872550 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095872567 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)O)nc(-c3cccc(-c4cc5ccccc5o4)c3)c2[C@@H]1CCO ZINC000095872568 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095872661 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095872760 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095872777 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095872803 KK Annotated Anodyne CO[C@@H](C(=O)N(C)C[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C)c1ccccc1 ZINC000095872813 KK Annotated Anodyne CO[C@H](C(=O)N(C)C[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C)c1ccccc1 ZINC000095872839 KK Annotated Anodyne Cc1ccc(OC(=O)N(C)C[C@@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095872917 KK Annotated Anodyne C#CCCCC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000095872932 KK Annotated Reactive C#CCCCC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000095872933 KK Annotated Reactive CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000095872934 KK Annotated Reactive CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl ZINC000095872935 KK Annotated Reactive Cc1onc(C(=O)N2CCN([C@H](c3ccc(Cl)cc3)c3ccc(OCCOCCOCCNC(=O)OC(C)(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000095872936 KK Annotated Bother Cc1onc(C(=O)N2CCN([C@@H](c3ccc(Cl)cc3)c3ccc(OCCOCCOCCNC(=O)OC(C)(C)C)cc3)CC2)c1[N+](=O)[O-] ZINC000095872937 KK Annotated Bother COc1ccc(C#Cc2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](CO)N3C)cc1 ZINC000095878868 KK Annotated Mild CCCCC[n+]1cccc2cc(NC(=O)c3ccc(C(=O)Nc4ccc5c(ccc[n+]5CCCCC)c4)c(N)c3)ccc21 ZINC000095882166 KK Annotated Anodyne C[n+]1cccc(NC(=O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(Nc5cc[n+](C)c6ccc(N)cc56)cc4)cc3)cc2)c1 ZINC000095882170 KK Annotated Anodyne CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccc(N)cc45)cc3N)cc2)cc1 ZINC000095882175 KK Annotated Anodyne CCC[n+]1ccc(Nc2ccc(NC(=O)c3ccc(Nc4cc[n+](CCC)c5ccccc45)cc3N)cc2N)cc1 ZINC000095882176 KK Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884974 KK Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884975 KK Annotated Anodyne O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884976 KK Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884977 KK Annotated Anodyne O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884978 KK Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884979 KK Annotated Anodyne O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884980 KK Annotated Anodyne O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1)NCc1ccc(Cl)c(Cl)c1 ZINC000095884981 KK Annotated Anodyne CCCCC[n+]1cccc(/N=C(\O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C(=O)Nc5ccc[n+](CCCCC)c5)cc4)cc3)cc2)c1 ZINC000095890978 KK Annotated Mild C[n+]1cccc(/N=C(\O)c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(/C(O)=N/c5ccc[n+](C)c5)cc4Cl)cc3)c(Cl)c2)c1 ZINC000095890993 KK Annotated Mild CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cccc(Cl)c3)CC[C@@H]21 ZINC000095892472 KK Annotated Anodyne CC(C)c1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)NCc5ccccc5)cc4C(=O)N3C)O2)c1 ZINC000095892473 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@@H]1CO2 ZINC000095892612 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@@H]1CO2 ZINC000095892613 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@@H]1CO2 ZINC000095892614 KK Annotated Anodyne COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)c(Cl)c3)O[C@H]1CO2 ZINC000095892615 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095892616 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095892617 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095892618 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095892619 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095892620 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095892621 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095892622 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3ccccc3F)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095892623 KK Annotated Anodyne CN1C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3cccc4ccccc34)CC[C@@H]21 ZINC000095892708 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Nc3cccc(C#N)c3)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000095892861 KK Annotated Mild CC(C)c1cccc(NC(=O)C[C@H]2CC[C@H]3[C@@H](COc4ccc(NC(=O)c5ccc(C#N)cc5)cc4C(=O)N3C)O2)c1 ZINC000095892884 KK Annotated Mild CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095893051 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095893052 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095893053 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095893054 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@@H]21 ZINC000095893055 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)Cc3cccs3)ccc2OC[C@H]2O[C@H](CC(=O)NCc3ccc(-c4ccccc4)cc3)CC[C@H]21 ZINC000095893056 KK Annotated Anodyne Cc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)Nc3ccc4c(c3)CCCC4)O[C@@H]1CO2 ZINC000095893116 KK Annotated Anodyne COc1cccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)Nc4ccc(C(C)C)cc4)O[C@@H]2CO3)c1 ZINC000095893177 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCc4ccccc4Cl)O[C@@H]2CO3)c1 ZINC000095893215 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCc4ccccc4Cl)O[C@H]2CO3)c1 ZINC000095893216 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)NCc4ccccc4Cl)O[C@H]2CO3)c1 ZINC000095893217 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@@H](CC(=O)NCc4ccccc4Cl)O[C@@H]2CO3)c1 ZINC000095893218 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@@H](CC(=O)NCc4ccccc4Cl)O[C@@H]2CO3)c1 ZINC000095893219 KK Annotated Anodyne Cc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)NCc4ccccc4Cl)O[C@@H]2CO3)c1 ZINC000095893220 KK Annotated Anodyne CN1C(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2OC[C@H]2O[C@@H](CC(=O)Nc3ccc4c(c3)CCC4)CC[C@@H]21 ZINC000095893236 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=CC(=O)OC2)[C@@]2(CCC[C@H](C)CCCc3ccccc3)CCC[C@@](C)(C3CCCCC3)[C@H]12 ZINC000095896300 KK Annotated Anodyne in-vitro biogenic O=C(OCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1Nc1cccc(SC(F)(F)F)c1 ZINC000095896509 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NC3CCCCC3)nc(-c3cccc(Br)c3)c2[C@H]1CCO ZINC000095898335 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NC3CCCCC3)nc(-c3cccc(Br)c3)c2[C@@H]1CCO ZINC000095898336 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095898776 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095898777 KK Annotated Mild CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898780 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898781 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898782 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898783 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO ZINC000095898785 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO ZINC000095898786 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095898788 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095898789 KK Annotated Mild CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NCc4ccccc4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898790 KK Annotated Anodyne COc1cccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898791 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095898792 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095898793 KK Annotated Mild CCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095898796 KK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccccc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898801 KK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccccc3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898802 KK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3cccc(OC)c3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898805 KK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3cccc(OC)c3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898806 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095898807 KK Annotated Anodyne CCCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(OC)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095898808 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cncnc4)c3)c2[C@H]1CCO ZINC000095898811 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO ZINC000095898812 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO ZINC000095898814 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@H]1CCO ZINC000095898815 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898818 KK Annotated Anodyne CN(C)C(=O)c1ccc(-c2cccc(-c3nc(C(=O)NC4CCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898819 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000095898822 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)N4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898823 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)N4CCCCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898824 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccc3F)nc(-c3cccc(-c4ccncc4)c3)c2[C@@H]1CCO ZINC000095898825 KK Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@H](CCO)N([S@@](=O)C(C)(C)C)C2 ZINC000095898826 KK Annotated Anodyne CCNC(=O)c1cc2c(c(-c3cccc(-c4cccc(F)c4)c3)n1)[C@@H](CCO)N([S@](=O)C(C)(C)C)C2 ZINC000095898827 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO ZINC000095898832 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCc3ccncc3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO ZINC000095898833 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@@H]1CCO ZINC000095898840 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4ccc(F)cc4)c3)c2[C@H]1CCO ZINC000095898841 KK Annotated Anodyne COc1ccc(-c2cccc(-c3nc(C(=O)NCC(F)(F)F)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)cc1 ZINC000095898847 KK Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)NCc3ccncc3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898850 KK Annotated Anodyne COc1ccccc1-c1cccc(-c2nc(C(=O)NCc3ccncc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898851 KK Annotated Anodyne CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO ZINC000095898853 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)N3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO ZINC000095898854 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@@H]1CCO ZINC000095898863 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCc3ccncc3)nc(-c3cccc(-c4ccc(C#N)cc4)c3)c2[C@H]1CCO ZINC000095898864 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@H]1CCO ZINC000095898869 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NC3CCC3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO ZINC000095898870 KK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccc(OC)cc3)cc3c2[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898871 KK Annotated Anodyne C/C=C/c1cccc(-c2nc(C(=O)NCc3ccc(OC)cc3)cc3c2[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898872 KK Annotated Anodyne COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccc(C#N)cc5)c4)n2)[C@@H](CCO)N([S@](=O)C(C)(C)C)C3)c1 ZINC000095898873 KK Annotated Mild COc1cccc(CNC(=O)c2cc3c(c(-c4cccc(-c5ccc(C#N)cc5)c4)n2)[C@H](CCO)N([S@@](=O)C(C)(C)C)C3)c1 ZINC000095898874 KK Annotated Mild CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCc3ccccn3)nc(-c3cccc(-c4ccccc4F)c3)c2[C@@H]1CCO ZINC000095898875 KK Annotated Anodyne CC(C)(C)[S@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@@H]1CCO ZINC000095898876 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)NCCN3CCCCC3)nc(-c3cccc(-c4cccc(C#N)c4)c3)c2[C@H]1CCO ZINC000095898877 KK Annotated Mild CC(C)(C)[S@@](=O)N1Cc2cc(C(=O)N3CCc4ccccc4C3)nc(-c3cccc(-c4cccnc4)c3)c2[C@H]1CCO ZINC000095898882 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@H](CCO)N([S@@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898883 KK Annotated Anodyne CN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)NC4CCCCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1 ZINC000095898884 KK Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899170 KK Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899171 KK Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899172 KK Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899173 KK Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899174 KK Annotated Anodyne CO[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@@H](C)CN(Cc1ccccc1Cl)[C@@H](C)CO ZINC000095899175 KK Annotated Anodyne CO[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)[C@H](C)CN(Cc1ccccc1Cl)[C@H](C)CO ZINC000095899176 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899835 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899836 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899837 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899838 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899839 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899840 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 ZINC000095899841 KK Annotated Anodyne COc1ccc(NC(=O)Nc2ccc3c(c2)[C@@H]2C[C@H](CC(=O)NCc4ccc(-c5ccccc5)cc4)O[C@@H](CO)[C@@H]2O3)cc1 ZINC000095900880 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901061 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901062 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901063 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901064 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCCc1ccccc1 ZINC000095901065 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCCc1ccccc1 ZINC000095901066 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901080 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901081 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901082 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901083 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901084 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901085 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901086 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901208 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901209 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901210 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901211 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901212 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901213 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901214 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCC4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901215 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901224 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901225 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901226 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901227 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901228 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901229 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 ZINC000095901230 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 ZINC000095901231 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901469 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901470 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901471 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901472 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901473 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095901474 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901635 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095901636 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901710 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901848 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901849 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901850 KK Annotated Anodyne O=C(C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901851 KK Annotated Anodyne O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901852 KK Annotated Anodyne O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901853 KK Annotated Anodyne O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1cc(F)ccc1F ZINC000095901854 KK Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901906 KK Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901907 KK Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901908 KK Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901909 KK Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901910 KK Annotated Anodyne C[C@H](NC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1)c1ccccc1 ZINC000095901911 KK Annotated Anodyne C[C@H](NC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)c1ccccc1 ZINC000095901912 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902162 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902163 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@H](CO)O1 ZINC000095902164 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@@H](CO)O1 ZINC000095902165 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902166 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@H]2[C@H](CO)O1 ZINC000095902167 KK Annotated Anodyne COc1ccccc1CNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(C(F)(F)F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 ZINC000095902168 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)[C@H]2O[C@]24[C@H]2[C@@H](C)[C@H](C)CC[C@]2(C)CC[C@]43C)C1(C)C ZINC000095908930 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](O)[C@H](OC=O)[C@]24C[C@@]23CC[C@@]2(C)CC[C@@H](C)[C@H](C)[C@@H]42)C1(C)C ZINC000095909176 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)O)[C@@H](O)C[C@]23C)C1(C)C ZINC000095909229 KK Annotated Anodyne COC(=O)/C(C)=C/[C@H]1C[C@@H](C)[C@]2(C)[C@@H](C=C3C4=C(CC[C@]32C)[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2CC4)O1 ZINC000095909289 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@@H]([C@]4(C)CC[C@](O)(C(C)(C)O)O4)CC[C@]32C)[C@@]1(C)CCC(=O)O ZINC000095909366 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]([C@@H]1C[C@@H](C)C2=C3C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@@]3(C)C[C@@H]2O1)C(C)(C)O ZINC000095909414 KK Annotated Anodyne COc1cc(O)c([C@H](/C=C/C[C@@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C\c1ccccc1 ZINC000095909422 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@H](/C=C/C[C@H](O)CCc2ccccc2)c2ccc(O)cc2)c(O)c1C(=O)/C=C\c1ccccc1 ZINC000095909423 KK Annotated Mild in-vitro biogenic COc1cc(O)c([C@@H](/C=C/c2ccc(O)cc2)C[C@H](O)CCc2ccccc2)c(O)c1C(=O)/C=C\c1ccccc1 ZINC000095909424 KK Annotated Mild in-vitro biogenic CC1(C)[C@H]2CC=C3C(=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]34C)[C@@]2(C)CC[C@H]1OC(=O)c1ccc(N)cc1 ZINC000095909428 KK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000095909429 KK Annotated Anodyne in-vitro biogenic CC1(C)[C@H](OC(=O)c2ccc(N)cc2)CC[C@]2(C)C3=C([C@@H](O)C[C@@H]12)[C@@]1(C)CC[C@@]2(C)CC[C@@](C)(COC(=O)c4ccccc4)C[C@H]2[C@]1(C)CC3 ZINC000095909430 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@@H]2c2cc(O)cc(O)c2[C@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)cc1 ZINC000095909439 KK Annotated Anodyne in-vitro biogenic COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](OC(=O)c1ccccc1)[C@@H](C)[C@H](C)[C@H]3OC(C)=O)OCO2 ZINC000095909485 KK Annotated Anodyne in-vitro biogenic C=C(C)[C@H](OC(C)=O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 ZINC000095909486 KK Annotated Mild CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H]([C@@H]1C[C@@]24CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]2CC[C@@H]1C4)C3 ZINC000095909496 KK Annotated Anodyne in-vitro biogenic C[C@@]12CCC[C@@](C)(C=O)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC[C@]1(O)C[C@@]24CC[C@H]5[C@@](C)(CCC[C@@]5(C)C=O)[C@@H]2CC[C@@H]1C4)C3 ZINC000095909499 KK Annotated Anodyne COC1=CC(=O)C(O)=C(CCCCCCC/C=C\CCCCCCCC2=C(O)C(=O)C(C)=C(OC(C)=O)C2=O)C1=O ZINC000095909625 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CCC(=C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)OC(C)=O ZINC000095909630 KK Annotated Mild COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)OC[C@@]3(O)C[C@@]45CC[C@@H]6C(C)(C)CCC[C@@]6(C)[C@@H]4CC[C@@H]3C5)cc3c(c12)OCO3 ZINC000095909649 KK Annotated Bother in-vitro biogenic CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(COC(=O)c1cc2c(c4c1c([N+](=O)[O-])cc1ccccc14)OCO2)C3 ZINC000095909650 KK Annotated Bother in-vitro biogenic COc1ccc(CCN(C)C)cc1[C@H]1C[C@@](C)(O)[C@@H]2[C@@H](c3cc(CCN(C)C)ccc3OC)C(C)(C)[C@H]12 ZINC000095909698 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](O)C[C@@](O)([C@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C ZINC000095909754 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12 ZINC000095909762 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@@H](c2ccccc2)N(C)C)C[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12 ZINC000095909763 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@H](NC)c2ccccc2)C[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)[C@@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12 ZINC000095909764 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)C[C@H](NC)c2ccccc2)C[C@@H](OC(C)=O)[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(C)=O)C[C@@]3(C(C)(C)O)C[C@H]12 ZINC000095909765 KK Annotated Mild in-vitro biogenic CC(C)=CC/C=C(\C)CCOc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OC/C=C(\C)CCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O ZINC000095909784 KK Annotated Anodyne in-vitro biogenic COC(=O)[C@@]12C(=O)C3=C([C@@H](C)[C@]1(C)CC[C@H]2C)[C@H](OC(=O)c1ccc(Br)cc1)CC[C@H]3C1=CC(=O)[C@@]2(C(=O)OC)[C@H](C)CC[C@@]2(C)[C@@H]1C ZINC000095909804 KK Annotated Mild in-vitro biogenic COC(=O)[C@@]12C(=O)C3=C([C@@H](C)[C@]1(C)CC[C@H]2C)[C@H](OC(C)=O)CC[C@H]3C1=CC(=O)[C@@]2(C(=O)OC)[C@H](C)CC[C@@]2(C)[C@@H]1C ZINC000095909805 KK Annotated Mild in-vitro biogenic COC(=O)[C@@]12C(=O)C3=C([C@@H](OC(=O)c4ccc(Br)cc4)CC[C@H]3C3=CC(=O)[C@@]4(C(=O)OC)[C@H](C)CC[C@@]4(C)[C@@H]3C)[C@@H](C)[C@]1(C)CC[C@H]2C ZINC000095909807 KK Annotated Mild in-vitro biogenic COC(=O)[C@@]12C(=O)C3=C(CCC[C@H]3C3=CC(=O)[C@@]4(C(=O)OC)[C@H](C)CC[C@@]4(C)[C@@H]3C)[C@@H](C)[C@]1(C)CC[C@H]2C ZINC000095909808 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C/[C@H](C[C@H](O)CCc2ccc(O)cc2)[C@H]2[C@@H](O)C[C@H](CCc3ccc(O)cc3)O[C@@H]2c2ccc(O)cc2)cc1 ZINC000095909828 KK Annotated Anodyne in-vitro biogenic COc1cc(/C=C\C(=O)OCCCc2ccc(OC)c3c2[C@H](COC(=O)/C=C\c2ccc(O)c(OC)c2)[C@H](c2ccc(O)c(OC)c2)O3)ccc1O ZINC000095909839 KK Annotated Anodyne in-vitro biogenic C=C(CCC=C(C)C)CC[C@]1(CC=C(C)C)C(=O)C([C@@H](CCC)C(=O)O)=C2O[C@@H](C)[C@H](C)C(=O)C2=C1O ZINC000095909855 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@H](C[C@@]2(CC=C(C)C)C(=O)C3=C(O)[C@@H](C)[C@@H](C)OC3=C([C@@H](CC(=O)O)c3ccccc3)C2=O)C1(C)C ZINC000095909856 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@H](C[C@@]2(CC=C(C)C)C(=O)C([C@@H](CC(=O)O)c3ccccc3)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000095909857 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@H](C=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C2=C(O)[C@@H](C)[C@@H](C)OC2=C([C@@H](CC(=O)O)c2ccccc2)C1=O ZINC000095909858 KK Annotated Mild in-vitro biogenic CC[C@H](C)[C@H](O)C(=O)N[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3C=C[C@H]2[C@]1(C)CO ZINC000095909921 KK Annotated Anodyne in-vitro biogenic CC(C)[C@H](O)C(=O)N(C)[C@H]1CCC2=CC3=CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@@]4(C)[C@@H]3C=C[C@H]2[C@]1(C)CO ZINC000095909922 KK Annotated Anodyne in-vitro biogenic C=C1OC(=O)/C(=C/CCCCCCCCCCCCC)[C@@H]1OC(=O)/C(=C\CCCCCCCCCCCCC)[C@H](O)C(C)=O ZINC000095909935 KK Annotated Mild in-vitro biogenic O=C(/C=C/c1ccc(O)cc1)c1c(O)cc(O)c2c(C(=O)c3ccc(O)cc3O)c(-c3ccc(O)cc3)oc12 ZINC000095909990 KK Annotated Mild in-vitro biogenic O=C(c1ccc(O)cc1O)[C@@H]1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@@H]1Cc1ccc(O)cc1-c1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1)[C@@H](O)C2 ZINC000095909991 KK Annotated Anodyne in-vitro biogenic O=C(c1ccc(O)cc1O)[C@@H]1[C@H](c2ccc(O)cc2)O[C@H](c2ccc(O)cc2O)[C@@H]1Cc1ccc(O)cc1-c1c(O)cc2c(c1O)C[C@@H](O)[C@H](c1ccc(O)cc1)O2 ZINC000095909992 KK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@@H](CC(=O)O)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000095909993 KK Annotated Mild in-vitro biogenic COC1=C(OC)[C@@]2(OC)c3c(O)c(OC)c4c(c3O[C@]23O[C@H](c2ccccc2)CC=C3C1=O)[C@H](OC)C[C@@H](c1ccccc1)O4 ZINC000095909994 KK Annotated Mild in-vitro biogenic COc1cc(O)c2c(c1C(=O)/C=C\c1ccc(O)cc1)O[C@@H](c1ccc(O)cc1)C[C@H]2C[C@@H](O)CCc1ccc(O)cc1 ZINC000095909998 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C2/c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c32)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000095910008 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C2\c3cc(O)cc4c3[C@H](c3cc(O)cc5c3[C@@H](c3cc(O)cc(O)c32)[C@H](c2ccc(O)cc2)O5)[C@@H](c2ccc(O)cc2)O4)cc1 ZINC000095910009 KK Annotated Anodyne in-vitro biogenic CC1=CCCC(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=C/[C@]12O[C@@]1(C)CCCC2(C)C ZINC000095910018 KK Annotated Bother in-vitro biogenic C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(=O)CCC)O[C@@H]3OC(C)=O ZINC000095910026 KK Annotated Mild in-vitro biogenic CC(C)=CC[C@@]12Oc3c(c(O)cc(O)c3[C@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000095910045 KK Annotated Anodyne in-vitro biogenic CC(C)=CC[C@@]12Oc3c(c(O)cc(O)c3[C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000095910046 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)/C=C/c2ccccc2)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@@H]2OC(C)=O)C1(C)C ZINC000095910120 KK Annotated Mild in-vitro biogenic COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)NCC5 ZINC000095910145 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H](C)[C@H](C)[C@H]2C3=CC[C@@H]4[C@]56CC[C@](O)(OC5)C(C)(C)[C@@H]6CC[C@@]4(C)[C@]3(C)CC[C@@]2(C=O)[C@@H]1O ZINC000095910173 KK Annotated Mild in-vitro biogenic C=CC(=C)CC[C@@]1(C)[C@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)/C=C\C=C/CCCCC)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000095910189 KK Annotated Mild in-vitro biogenic C=C1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3[C@@H](OC(=O)c3ccc(Br)cc3)[C@H](OC(=O)c3ccc(Br)cc3)[C@@]2(C)[C@H](C(=O)OC)[C@@]1(C)C(=O)OC ZINC000095910219 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H](C)CC(=O)Oc1c(OC(=O)C[C@@H](C)O)c(-c2ccc(O)cc2)c(OC(=O)C[C@H](C)O)c(OC(=O)CCc2ccccc2)c1-c1ccc(O)cc1 ZINC000095910251 KK Annotated Anodyne in-vitro biogenic COc1c2c(c(OC[C@@H](O)C(C)(C)O)c3occc13)O[C@@]1(C=C2)O[C@H](COc2c3occc3c(OC)c3ccc(=O)oc23)C(C)(C)O1 ZINC000095910293 KK Annotated Anodyne in-vitro biogenic CC(C)(O)[C@H](O)COc1c2c(cc3occc13)O[C@@]1(C=C2)O[C@H](COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1 ZINC000095910294 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@@H]2c3c(O)cc(O)cc3[C@@H]3c4c(cc(O)c5c4[C@H]2[C@@H](c2cc(O)cc(O)c2)[C@@H]5c2ccc(O)cc2)O[C@H]3c2ccc(O)cc2)cc1 ZINC000095910311 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@@H]([C@@H](O)c3ccc(O)cc3)[C@@H]2c2cc(O)cc3c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O3)cc1 ZINC000095910312 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccccc1)[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000095910320 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H](CC[C@@H](O)[C@]1(C)CC[C@@H]([C@@](C)(O)CCC=C(C)C)O1)[C@@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1 ZINC000095910322 KK Annotated Anodyne in-vitro biogenic COC(=O)C[C@H]1[C@](C)(C2=C(C)[C@H](c3ccoc3)C[C@@H]2OC)[C@H](OC(=O)c2ccccc2)[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H]23 ZINC000095910330 KK Annotated Anodyne C/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@](C)([C@@H](CC(=O)OC)[C@]1(C)C1=C(C)[C@H](c4ccoc4)C[C@@H]1OC)[C@@H]23 ZINC000095910331 KK Annotated Anodyne COC1=CC(=O)C2=CC[C@@H](c3ccccc3)O[C@]23Oc2c4c(c(OC)c(OC)c2[C@]13OC)O[C@H](c1ccccc1)C[C@H]4O ZINC000095910393 KK Annotated Mild in-vitro biogenic C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000095910449 KK Annotated Mild in-vitro biogenic CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(OC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000095910488 KK Annotated Anodyne in-vitro biogenic CC1=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)[C@]2(C)CCCC2(C)C)C(C)(C)CC=C1 ZINC000095910517 KK Annotated Mild in-vitro biogenic COc1cc(O)cc(OC)c1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)c1c(OC)cc(O)cc1OC ZINC000095910521 KK Annotated Anodyne in-vitro biogenic 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=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O ZINC000095910553 KK Annotated Bother in-vitro biogenic Cc1c2c(cc3c1C(=O)C[C@H]1[C@@]3(C)CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]13C)O[C@]1(O)C(=O)C=C3C(=CC=C4[C@@]5(C)CC[C@@]6(C)CC(=O)[C@H](C)C[C@H]6[C@]5(C)CC[C@@]34C)[C@]1(C)O2 ZINC000095910594 KK Annotated Anodyne CC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)[C@@H](O)[C@@H](O)CC2(C)C)O1 ZINC000095910625 KK Annotated Mild in-vitro biogenic COc1cc(O)cc(O)c1C(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)c1c(OC)cc(O)cc1OC ZINC000095910654 KK Annotated Anodyne in-vitro biogenic COC1=CC(=O)C(Cc2oc3cc(OC)c(O)cc3c2-c2ccccc2)=C[C@@]1(C/C=C\c1ccccc1)OC ZINC000095910743 KK Annotated Mild in-vitro biogenic COC1=C[C@H](OC/C=C\c2ccccc2)C(Cc2oc3cc(OC)c(O)cc3c2-c2ccccc2)=C[C@@H]1OC ZINC000095910744 KK Annotated Anodyne in-vitro biogenic C/C=C\c1ccc2oc(-c3ccc(O)c(Oc4cccc(-c5oc6ccc(/C=C/C)cc6c5C)c4)c3)c(C)c2c1 ZINC000095910777 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3ccc(/C=C\c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000095910796 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@H]2Oc3ccc(/C=C/c4cc(O)cc(O)c4)cc3[C@@H]2c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000095910797 KK Annotated Anodyne in-vitro biogenic CC(=O)C[C@@H]1C[C@@H](OC(C)=O)[C@@]2(C)CO[C@@H]3[C@H]2[C@@]1(C)[C@H]1C=CO[C@H]2C[C@H](c4ccoc4)C(C)=C2[C@]1(C)[C@H]3OC(C)=O ZINC000095911228 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCCCCC(=O)O[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](CC)C(C)C)[C@@]34C=C[C@]2(C1)OO4 ZINC000095911233 KK Annotated Anodyne COc1ccc([C@@H]2Oc3c(cc(-c4cc5c(c(OC)c4OC)O[C@H](c4ccc(OC)cc4)[C@H](OC(C)=O)[C@@H]5OC(C)=O)c(OC)c3OC)[C@H](OC)[C@H]2OC(C)=O)cc1 ZINC000095911261 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@@]45O[C@@H]4C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]5CC[C@@H]32)C1(C)C ZINC000095911319 KK Annotated Anodyne in-vitro biogenic CCCCCCCCCCCCCC(=O)O[C@@H]1C(=O)C[C@]2(C)[C@H](CC[C@]34C[C@H](CC[C@H]32)[C@]2(C)O[C@H]42)C1(C)C ZINC000095911341 KK Annotated Mild in-vitro biogenic CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=O)C[C@]2(C)[C@H](CC[C@]34C[C@H](CC[C@H]32)[C@]2(C)O[C@H]42)C1(C)C ZINC000095911346 KK Annotated Mild in-vitro biogenic CC1=C(/C=C/C(C)=C/C=C/C=C/C=C(C)/C=C2/C=C(/C=C/[C@@]34O[C@@H](CC3(C)C)C[C@]4(C)O)C(=O)O2)C(C)(C)C[C@H](O)[C@@H]1O ZINC000095911365 KK Annotated Bother in-vitro biogenic CC(=O)O[C@@H](CC[C@@H](OC(C)=O)[C@]1(C)CC[C@@H]([C@@](C)(O)CCC=C(C)C)O1)[C@@]1(C)CC[C@H]([C@@](C)(O)CCC=C(C)C)O1 ZINC000095911460 KK Annotated Anodyne in-vitro biogenic C=C[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H](C(C)(C)C(=O)OC[C@@H](O)[C@@]3(C)CC[C@@H]4[C@](C)(CC[C@H](C(C)(C)C(=O)O)[C@@]4(C)CC(=O)O)O3)[C@@]2(C)CC(=O)O)O1 ZINC000095911467 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@H]2C1(C)C)[C@]1(C)CC[C@H]([C@@H](CC[C@H](O)C(C)(C)O)C(=O)O)[C@@]1(C)CC3 ZINC000095911501 KK Annotated Anodyne CC1=C(C)[C@]2(C[C@@H](C)[C@H]3CC[C@@]4(C)C5=C(C[C@@H](O2)[C@]34C)[C@@]2(C)CC[C@@H](OC(=O)CC(=O)O)C(C)(C)[C@@H]2CC5)OC1=O ZINC000095911503 KK Annotated Anodyne C=C(CC[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[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 ZINC000095911508 KK Annotated Mild COc1cc2c(cc1C(C)C)[C@H](O)[C@H](Oc1cc3c(cc1C(C)C)C=C[C@@H]1C(C)(C)CCC[C@]31C)[C@H]1C(C)(C)CCC[C@]21C ZINC000095911514 KK Annotated Anodyne in-vitro biogenic CCCCOCCO[C@H]1c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@@H]1C(C)(C)CCC[C@]21C ZINC000095911515 KK Annotated Anodyne in-vitro biogenic CCCCOCCO[C@H]1c2cc(C(C)C)c(OC(C)=O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]2[C@H]1Oc1cc2c(cc1C(C)C)C=C[C@@H]1C(C)(C)CCC[C@]21C ZINC000095911516 KK Annotated Anodyne in-vitro biogenic CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@@H]4[C@H]3O[C@H]21 ZINC000095911517 KK Annotated Anodyne in-vitro biogenic CC(C)(O)C[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]23C)O1 ZINC000095911528 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@H](C(=O)OC[C@@]2(O)C[C@@]35CC[C@@H]6C(C)(C)CCC[C@@]6(C)[C@@H]3CC[C@@H]2C5)C4)C1(C)C ZINC000095911536 KK Annotated Anodyne CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC[C@@]1(O)C[C@@]24CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]2CC[C@@H]1C4)C3 ZINC000095911538 KK Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC[C@]1(O)C[C@@]24CC[C@@H]5C(C)(C)CCC[C@@]5(C)[C@@H]2CC[C@@H]1C4)C3 ZINC000095911539 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@@]2(CO[C@@H]([C@@H]3C[C@@]56CC[C@@H]7C(C)(C)CCC[C@@]7(C)[C@@H]5CC[C@@H]3C6)O2)C4)C1(C)C ZINC000095911540 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@@]2(CO[C@H]([C@@H]3C[C@@]56CC[C@@H]7C(C)(C)CCC[C@@]7(C)[C@@H]5CC[C@@H]3C6)O2)C4)C1(C)C ZINC000095911541 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)C2=C1[C@]1(C)[C@@H](O)C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2 ZINC000095911575 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]2(C)CCC3=C([C@H](O)C[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000095911577 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]2(C)CC=C3C(=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]34C)[C@]12C ZINC000095911582 KK Annotated Anodyne CC(=O)O[C@H]1CC[C@]2(C)C3=CC[C@]4(C)[C@@H]([C@H](C)CC/C=C(/C)C(=O)O)C[C@H](OC(C)=O)[C@@]4(C)C3=CC[C@H]2C1(C)C ZINC000095911583 KK Annotated Anodyne CC(C)=CC[C@H]1C[C@]2(C(=O)c3ccccc3)C(=O)[C@@](CC=C(C)C)(C(=O)C3=C2O[C@H](C(C)(C)O)C3)C1(C)C ZINC000095911586 KK Annotated Mild in-vitro biogenic CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@H]1Oc2c4ccc(c2O[C@@H]31)CCc1ccc(cc1)Oc1cc(ccc1O)CCc1cccc(c1)O4 ZINC000095911591 KK Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@@H]1Oc2c4ccc(c2O[C@H]31)Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC4 ZINC000095911592 KK Annotated Anodyne in-vitro biogenic Cn1c2c3c(ccc2c(=O)c2c(O)cc4c(c21)C=CC(C)(C)O4)O[C@@](C)(/C=C\c1c(O)cc(O)c2c(=O)c4cccc(O)c4n(C)c12)CO3 ZINC000095911751 KK Annotated Bother in-vitro biogenic Oc1ccc([C@H]2Oc3cc(/C=C\c4ccc(O)cc4O)cc(O)c3[C@H]2c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000095911759 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000095911760 KK Annotated Anodyne in-vitro biogenic Oc1ccc([C@@H]2Oc3cc(O)cc4c3[C@@H]2c2cc3c(c(O)c2[C@@H](c2ccc(O)cc2O)C4)[C@H](c2cc(O)cc(O)c2)[C@H](c2cccc(O)c2)O3)cc1 ZINC000095911761 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C\c2cc(O)cc3c2[C@H](c2cc(O)c4c(c2)O[C@@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000095911762 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)c4c(c2)O[C@@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2)O3)cc1 ZINC000095911763 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)c4c2O[C@H](c2ccc(O)cc2O)[C@H]4c2cc(O)cc(O)c2)O3)cc1 ZINC000095911769 KK Annotated Anodyne in-vitro biogenic Oc1ccc(/C=C/c2cc(O)c3c(c2)O[C@@H](c2ccc(O)c4c2O[C@@H](c2ccc(O)cc2O)[C@@H]4c2cc(O)cc(O)c2)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000095911773 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H]2c3c(c(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@@H](c3cc(O)c(O)c4oc5cc(O)cc(O)c5c(=O)c34)[C@H]2C(C)(C)C1 ZINC000095911796 KK Annotated Clean in-vitro biogenic CC1=C[C@@H](c2cc(/C=C\c3cc(O)cc(O)c3)ccc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911811 KK Annotated Anodyne in-vitro biogenic CC1=C[C@@H](c2cc(/C=C/C(=O)c3ccc(O)cc3O)c(O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911812 KK Annotated Mild in-vitro biogenic CC1=C[C@@H](c2ccc(O)c([C@@H]3Oc4cc(O)ccc4C(=O)[C@H]3O)c2)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911813 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2cc3cc(-c4cc(O)cc(O)c4)oc3cc2O)c1O ZINC000095911814 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](c2ccc(O)c([C@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)[C@@H](C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911815 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](c2cc(-c3oc4cc(O)ccc4c(=O)c3O)ccc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911816 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3ccc(O)cc3O)CC(C)=C[C@H]2c2ccc(O)c([C@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2)c1O ZINC000095911817 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](c2c(O)ccc(-c3oc4cc(O)ccc4c(=O)c3O)c2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911818 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3cc4cc(-c5cc(O)cc(O)c5)oc4cc3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000095911819 KK Annotated Anodyne in-vitro biogenic CC1=C[C@@H](c2c(O)ccc([C@H]3Oc4cc(O)ccc4C(=O)[C@@H]3O)c2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911820 KK Annotated Anodyne in-vitro biogenic CC1=C[C@@H](c2cc([C@H]3CC(=O)c4ccc(O)cc4O3)c(O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095911822 KK Annotated Anodyne in-vitro biogenic CC[C@H](C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)C[C@@H](C)[C@H]1C)OCO3 ZINC000095911885 KK Annotated Anodyne in-vitro biogenic C/C1=C\CC[C@H](C)/C=C/C(C)(C)[C@H](OC(=O)/C(=C2\OC(=O)C(c3ccccc3)=C2O)c2ccccc2)CC1 ZINC000095911925 KK Annotated Anodyne in-vitro biogenic CC(C)=CCC1=C2O[C@H](C(C)(C)O)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@](CC=C(C)C)(C1=O)C(=O)[C@]23C(=O)C(C)C ZINC000095912079 KK Annotated Mild in-vitro biogenic C=C1CC[C@@H](OC(=O)/C(=C2\OC(=O)C(c3ccccc3)=C2O)c2ccccc2)C(C)(C)/C=C/[C@@H](C)CC[C@H]1O ZINC000095912188 KK Annotated Mild in-vitro biogenic CC1(C)[C@@H](OC(=O)CCc2ccc(O)cc2)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 ZINC000095912235 KK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](OC(=O)CCc2ccc(O)cc2)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 ZINC000095912236 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](O)[C@@H]2OC(C)=O)C1(C)C ZINC000095912256 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(=O)C[C@H](c2ccccc2)N(C)C)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2O)C1(C)C ZINC000095912257 KK Annotated Mild in-vitro biogenic C/C(=C\C(=O)O[C@@H]1C[C@H]2[C@@H](C)CN(C)C[C@H]2[C@@H]1C)CC/C=C(\C)C(=O)O[C@@H]1C[C@H]2[C@@H](C)CN(C)C[C@H]2[C@@H]1C ZINC000095912329 KK Annotated Anodyne in-vitro biogenic C=C(C)[C@@H](O)Cc1c(O)c(CC=C(C)C)c(O)c2c(=O)c(-c3ccc(O[C@@H](CO)CCCCCCCCCCCCCCCCCCCCCCCC)cc3)coc12 ZINC000095912331 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CC=C(C)C)C[C@@]1(CC=C(C)C)C(=O)C([C@H](CC(=O)OC)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O ZINC000095912341 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@@]1(CCC(=C)CCC=C(C)C)C(=O)C([C@@H](CCC)CC(C)=O)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O ZINC000095912344 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@H](C[C@@]2(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C3O[C@H](C)[C@@H](C)C(=O)C3=C2O)C1(C)C ZINC000095912345 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@H](C[C@]1(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O)C(=C)C ZINC000095912346 KK Annotated Mild in-vitro biogenic C=C(C)[C@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@@H](CCC)CC(=O)O)=C2O[C@H](C)[C@@H](C)C(=O)C2=C1O ZINC000095912347 KK Annotated Mild in-vitro biogenic C=C(C)[C@@H]1C[C@H](C[C@]2(CC=C(C)C)C(=O)C([C@H](CCC)CC(=O)O)=C(O)C3=C2O[C@H](C)[C@@H](C)C3=O)C1(C)C ZINC000095912348 KK Annotated Mild in-vitro biogenic C=C(C)CC[C@H](C[C@@]1(CC=C(C)C)C(=O)C([C@H](CCC)CC(=O)O)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O)C(=C)C ZINC000095912349 KK Annotated Mild in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@@H](OC(C)=O)[C@H](C)[C@H]1C ZINC000095912358 KK Annotated Anodyne in-vitro biogenic C=C(C)CC[C@@H](C=C(C)C)C[C@]1(CC=C(C)C)C(=O)C2=C(O)[C@@H](C)[C@@H](C)OC2=C([C@H](CC(=O)O)c2ccccc2)C1=O ZINC000095912391 KK Annotated Mild in-vitro biogenic COc1cc2c3c(c1)Oc1ccc(cc1OC)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CCN1C ZINC000095912410 KK Annotated Anodyne in-vitro biogenic CO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@]23[C@@H]2C[C@H]1C(=O)[C@@]3(C/C=C(\C)C=O)OC2(C)C)OC(C)(C)C=C4 ZINC000095912451 KK Annotated Reactive in-vitro biogenic COc1cc2c(cc1OC)/C(=C(/C=O)c1ccc(-c3cc(OC)c(OC)cc3C[C@H]3c4cc(OC)c(OC)c(OC)c4CCN3C)c(OC)c1OC)NCC2 ZINC000095912469 KK Annotated Reactive in-vitro biogenic COc1cc2c(cc1OC)/C(=C(/C=O)c1cc3c(cc1Cc1ccc(C[C@@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2 ZINC000095912470 KK Annotated Reactive in-vitro biogenic COC1=CN(C=O)[C@H]2Cc3ccc(cc3)Oc3cc(ccc3O)C[C@@H]3c4c(cc(OC)c(c4O)-c4cc2c1cc4OC)CCN3C ZINC000095912497 KK Annotated Clean in-vitro biogenic C=C1c2ccoc2C[C@@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)[C@@](C)(COC(=O)[C@H]3C=CC=CC3)CCC[C@]21C ZINC000095912508 KK Annotated Mild in-vitro biogenic C=C[C@@H]1[C@H]2[C@H](/C=C/C=C/C=C/CCC)[C@H]2[C@@H]2C(=O)OC[C@]3(C)[C@H]4[C@@H]5C=C(CO)C[C@]6(O)C(=O)C(C)=C[C@H]6[C@@]5(O)[C@H](C)C[C@]43OC(=O)C/C=C/C=C/[C@H]12 ZINC000095912524 KK Annotated Anodyne CC1=C[C@H]2c3ccc(/C=C/c4ccc(O)cc4O)cc3O[C@]3(c4ccc(O)cc4O)Oc4cc(O)ccc4[C@H](C1)[C@H]23 ZINC000095912674 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)cc2O)oc2c([C@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3ccc(O)cc3O)c(O)cc(O)c2c1=O ZINC000095912677 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000095912678 KK Annotated Anodyne in-man endogenous CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)ccc(C(=O)/C=C\c4ccc(O)cc4O)c3O)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O ZINC000095912679 KK Annotated Mild in-vitro biogenic CC(C)=CCc1c(-c2ccc(O)c([C@@H]3C=C(C)C[C@H](c4ccc(O)cc4O)[C@H]3C(=O)c3cc(O)cc(O)c3)c2O)oc2cc(O)cc(O)c2c1=O ZINC000095912680 KK Annotated Anodyne in-man endogenous CC1=C[C@@H](c2c(O)ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)[C@H](C(=O)c2cc(O)cc(O)c2)[C@@H](c2ccc(O)cc2O)C1 ZINC000095912681 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](c2cc(/C=C\c3cc(O)cc(O)c3)c(O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095912682 KK Annotated Anodyne in-vitro biogenic CC1=C[C@H](c2c(O)cc(/C=C\c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095912683 KK Annotated Anodyne in-vitro biogenic CC1=C[C@@H](c2c(O)cc(/C=C\c3ccc(O)cc3O)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1 ZINC000095912684 KK Annotated Anodyne in-vitro biogenic C[C@@]12C[C@@H](c3ccc(O)cc3O1)[C@@]13O[C@]1(c1ccc(O)cc1O)Oc1cc(/C=C/c4ccc(O)cc4O)cc(O)c1[C@@H]3C2=O ZINC000095912685 KK Annotated Anodyne in-vitro biogenic COc1cc(OC)c([C@@H]2C=CCC[C@]23C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]3C/C=C2\CCOC2=O)cc1OC ZINC000095912701 KK Annotated Anodyne in-vitro biogenic C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]3[C@H]1OC(=O)c1ccccc1)C2(C)C ZINC000095912748 KK Annotated Mild in-vitro biogenic Oc1ccc(/C=C\c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)c3c(c2)O[C@H](c2ccc(O)cc2O)[C@H]3c2cc(O)cc(O)c2)cc1 ZINC000095912749 KK Annotated Anodyne in-vitro biogenic COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=C[C@]3(O)[C@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@]34C)C2(C)C)ccc1O ZINC000095912755 KK Annotated Anodyne CC(C)=CCc1cc(C(=O)[C@@]2(c3cc(O)c(O)cc3/C=C3/Oc4c(ccc(O)c4CC=C(C)C)C3=O)Oc3cc(O)c(CC=C(C)C)cc3C2=O)ccc1O ZINC000095912831 KK Annotated Mild in-vitro biogenic COc1cc2c(c(O)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(=O)/C=C\c1ccccc1)[C@H](C)[C@H](C)C2 ZINC000095913312 KK Annotated Anodyne in-vitro biogenic O=C(/C=C/c1ccc2c(c1)[C@H](C(=O)c1ccc(O)cc1O)[C@@H](c1ccc(O)cc1)O2)c1ccc(O)cc1O ZINC000095913329 KK Annotated Mild in-vitro biogenic 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=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000095913367 KK Annotated Bother in-vitro biogenic 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000095913368 KK Annotated Bother in-vitro biogenic 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000095913369 KK Annotated Bother in-vitro biogenic 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=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C ZINC000095913370 KK Annotated Bother in-vitro biogenic 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=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000095913371 KK Annotated Bother in-vitro biogenic 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=C/[C@@]12O[C@]1(C)C[C@H](O)CC2(C)C ZINC000095913372 KK Annotated Bother in-vitro biogenic 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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(CO)[C@H]1CC3)C(C)C ZINC000095913453 KK Annotated Mild CO[C@@H]1CC(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]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)=C1C(C)=O ZINC000095913539 KK Annotated Mild in-vitro biogenic CO[C@@H]1CC(C)(C)C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CC[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)=C1C(C)=O ZINC000095913540 KK Annotated Mild in-vitro biogenic CO[C@@H]1CC(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@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)=C1C(C)=O ZINC000095913541 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)CC[C@H]([C@@H](OC(=O)[C@H](C)CC)[C@H]12)C3(C)C ZINC000095913592 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)CC[C@H]([C@@H](OC(=O)[C@H](C)CC)[C@H]12)C3(C)C ZINC000095913593 KK Annotated Mild in-vitro biogenic COC(C)(C)[C@H]1O[C@@]23O[C@@H]1C[C@@H](C)[C@@H]2[C@@]1(C)CC[C@@]24C[C@@]25CC[C@H](O)C(C)(C)[C@@H]5CC[C@H]4[C@]1(C)[C@H]3O ZINC000095913600 KK Annotated Anodyne COC(=O)[C@]12CCC(C)(C)CC1=C1C=C[C@@H]3[C@@]4(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000095913712 KK Annotated Anodyne in-vitro biogenic COc1cc(C)cc2c(-c3c(O)cc(O)c4c3C[C@@H](C)N[C@H]4C)cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c12 ZINC000095913723 KK Annotated Clean in-vitro biogenic O=C1c2c(O)cc(O)cc2OC[C@@H]1[C@@H](C(=O)c1c(O)cc(O)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1O)C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000095913731 KK Annotated Anodyne in-vitro biogenic COc1ccc(/C=C\C[C@@H]2C[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000095913750 KK Annotated Anodyne in-vitro biogenic CC1=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](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 ZINC000095913811 KK Annotated Anodyne C/C=C/c1cc(OC)c(O[C@H](C)Cc2cc(OC)c(O[C@H](C)[C@@H](OC(C)=O)c3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1 ZINC000095913828 KK Annotated Anodyne in-vitro biogenic COC1=CC(=O)C(O)=C/C1=C1/C=C(c2ccccc2)c2cc3c(cc2O1)OC[C@@H](c1ccc(OC)cc1O)C3 ZINC000095913829 KK Annotated Mild in-vitro biogenic C=C1CCCc2cc(cc3c2C(=O)C(=O)c2c(C)coc2-3)/C(C)=C\CCc2c1ccc1c2C(=O)C(=O)c2c(C)coc2-1 ZINC000095913861 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc4c3[C@@H](c3cc(O)cc(O)c3)[C@H](c3ccc(O)cc3)O4)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000095913866 KK Annotated Anodyne in-vitro biogenic CC1(C)CCC[C@]2(C)[C@@H](C(=O)O)[C@@H]3CC[C@]45O[C@@]3(C[C@H]12)OC(=O)[C@@H]4[C@@]1(C)CCCC(C)(C)[C@H]1CC5=O ZINC000095913988 KK Annotated Anodyne in-vitro biogenic C[C@@H]1N[C@H](CCCCCCCCCCC2=C[C@H](CCCCCCCCCC[C@@H]3CC[C@H](O)[C@H](C)N3)[C@@H]3CCC(=O)N3C2)CC[C@@H]1O ZINC000095914129 KK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000095914169 KK Annotated Mild COc1cc([C@@H]2Oc3c(OC)cc(/C=C/C4=CC(O)=C[C@H](O)C4)cc3[C@H]2c2cc(O)cc(O)c2)ccc1O ZINC000095914212 KK Annotated Anodyne in-vitro biogenic COc1ccc([C@H]2COc3cc(OC(C)=O)c(Cc4oc5cc(OC)c(OC(C)=O)cc5c4-c4ccccc4)cc3C2)c(OC(C)=O)c1 ZINC000095914306 KK Annotated Anodyne in-vitro biogenic CC1(C)[C@@H](OC(=O)CCc2ccc(O)c(O)c2)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 ZINC000095914313 KK Annotated Clean in-vitro biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@]3(C)C[C@@]4(O)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@H]32)C1(C)C ZINC000095914315 KK Annotated Anodyne in-vitro biogenic COc1cc([C@H](C)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c2c(c1C)CCc1c-2ccc(O)c1C ZINC000095914373 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1CC[C@@H]2C(=CC[C@H]3[C@]4(C)C[C@@H](O)[C@H]([C@]5(C)OC(C(C)C)=CC5=O)[C@@]4(C)CC(=O)[C@]32C)C1(C)C ZINC000095914383 KK Annotated Anodyne C/C=C(\C(C)C)[C@H](O)[C@H](OC(C)=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 ZINC000095914435 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)Oc1cc(C)c(O)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)c1 ZINC000095914446 KK Annotated Mild in-vitro biogenic CCCCCCCC/C=C/CCCCCCCC(=O)Oc1cc(C)c(O)c(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)c1 ZINC000095914447 KK Annotated Mild in-vitro biogenic CC(C)=CC(=O)Oc1c(C(C)C)cc2c(c1O)[C@@H]1CCC[C@](C)(COC(=O)c3ccc(O)c(O)c3)[C@@]1(C)CC2 ZINC000095914454 KK Annotated Clean in-vitro biogenic C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c(O)c2-c2c(cc(OC)c(OC)c2O)[C@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@@H]1C)OCO3 ZINC000095914562 KK Annotated Anodyne in-vitro biogenic COC(=O)CC[C@]12C[C@]13CC[C@]1(C)[C@H]4[C@H](C)C[C@]5(C[C@@H](C)C(=O)O5)O[C@@H]4C[C@@]1(C)[C@@H]3CC[C@@H]2C(C)(C)O ZINC000095914584 KK Annotated Anodyne in-vitro biogenic C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@@]67C[C@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000095914587 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@H]1[C@@H]2/C=C(\C)[C@H](OC(=O)c3ccccc3)C[C@@H](OC(C)=O)C(C)(C)C/C=C(\C)C(=O)[C@@]2(OC(C)=O)C[C@H]1C ZINC000095914623 KK Annotated Mild in-vitro biogenic CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H](C=C(C)C)[C@@]4(CC[C@]23C)C[C@H](O)OC4=O)C1(C)C ZINC000095914773 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(C)=C/[C@H](CCOC(C)=O)COC(C)=O ZINC000095914784 KK Annotated Anodyne in-vitro biogenic CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]4O ZINC000095914904 KK Annotated Anodyne CC(=O)OC[C@@]12CC[C@@]3(C)[C@H]4C(=CC[C@]3(C)[C@H]1[C@H](O)C[C@H]2C(C)C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1C[C@@H]4O ZINC000095914907 KK Annotated Anodyne CC(=O)O[C@H]1[C@H](O)C[C@]2(C)C3=CC[C@]4(C)[C@H]5[C@H](O)C[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)[C@@H]3[C@@H](O)C[C@H]2C1(C)C ZINC000095914915 KK Annotated Anodyne CC(C)=CCCC1=C[C@@H](c2c(O)cc3c(c2O)C(=O)C[C@H](c2ccc(O)cc2O)O3)[C@H](C(=O)c2ccc(O)c(CC=C(C)C)c2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000095915020 KK Annotated Anodyne in-vitro biogenic CC(C)=CC[C@]12Oc3cc(O)c(C4=C[C@]5(C)C[C@H](C4)c4ccc(O)cc4O5)c(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000095915021 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)c([C@H]2C=C(C)C[C@@H](c3ccc(O)cc3O)[C@@H]2C(=O)c2ccc(O)cc2O)c(O)c2c1O[C@]1(CC=C(C)C)c3ccc(O)cc3O[C@]1(O)C2=O ZINC000095915022 KK Annotated Anodyne in-vitro biogenic CC(C)=CC[C@]12Oc3c(c(O)cc(O)c3[C@H]3C=C(C)C[C@@H](c4ccc(O)cc4O)[C@@H]3C(=O)c3ccc(O)cc3O)C(=O)[C@]1(O)Oc1cc(O)ccc12 ZINC000095915024 KK Annotated Anodyne in-vitro biogenic CC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@H](c3c(O)cc4c(c3O)C(=O)[C@@]3(O)Oc5cc(O)ccc5[C@@]3(CC=C(C)C)O4)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O ZINC000095915025 KK Annotated Anodyne in-vitro biogenic C=C1CC[C@@H](CC[C@@H]2CC[C@]3(OC2)O[C@@]2(O)CC[C@]3(C)OC2(C)C)C(C)(C)[C@H]1/C=C\C1=CCOC1=O ZINC000095915043 KK Annotated Mild in-vitro biogenic CC[C@@H](C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@@H](OC(=O)c2ccccc2)[C@@](C)(O)[C@H]1C)OCO3 ZINC000095915082 KK Annotated Anodyne in-vitro biogenic C/C=C(\C)C(=O)O[C@@H]1c2cc3c(c(OC)c2-c2c(cc4c(c2OC)OCO4)[C@H](OC(=O)/C(C)=C/C)[C@H](C)[C@@H]1C)OCO3 ZINC000095915083 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](OC(C)=O)[C@@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000095915085 KK Annotated Anodyne in-vitro biogenic COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(C)=O)[C@@H](C)[C@@](C)(O)[C@H]2OC(=O)c1ccccc1 ZINC000095915087 KK Annotated Anodyne in-vitro biogenic CO[C@]12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(C/C=C(\C)C=O)C2=O)C(C)(C)[C@H](C)O5 ZINC000095915107 KK Annotated Reactive in-vitro biogenic C[C@H]1N[C@@H](CCCCCCCCCCC/C=C(/C=O)CCCCCCCCCC[C@H]2CC[C@@H](O)[C@@H](C)N2)CC[C@H]1O ZINC000095918584 KK Annotated Reactive in-vitro biogenic CC(=O)CCCC(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@@H]1C(C)=CCCC1(C)C ZINC000095918616 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@@H](C)N(C)C)CC[C@@]23C)CC2=C[C@@H](O)[C@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC000095918617 KK Annotated Anodyne in-vitro biogenic CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000095918779 KK Annotated Anodyne Oc1ccc([C@H]2c3cc(O)ccc3[C@@H]3c4c(cc(O)c5c4[C@@H]2[C@@H](c2ccc(O)cc2)[C@H]5c2cc(O)cc(O)c2)O[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000095918819 KK Annotated Anodyne in-vitro biogenic CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1[C@@H]1O[C@@H]3c4cc(C(C)C)c(O)cc4[C@@]4(C)CCCC(C)(C)[C@H]4[C@H]3O[C@@H]21 ZINC000095918821 KK Annotated Anodyne in-vitro biogenic CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2CC1=C[C@H]2[C@H](C(C)C)CC[C@](C)(O)[C@]2(O)CC1 ZINC000095918822 KK Annotated Anodyne in-vitro biogenic C=C(CCCCCCCCCCCCCCC)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(=C)CC[C@]4(C)CC[C@]23C)C1(C)C ZINC000095918887 KK Annotated Mild in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC)C3=C(C)C[C@H](OC(=O)[C@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C ZINC000095918899 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@]1(C(C)(C)O)C[C@H](OC(C)=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000095918917 KK Annotated Mild in-vitro biogenic C=C1[C@H](OC(=O)/C=C\c2ccccc2)CC[C@@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]34[C@H](C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@]123)C4(C)C ZINC000095918918 KK Annotated Mild in-vitro biogenic O=C(Oc1c(OC(=O)c2ccccc2)c(-c2ccc(O)cc2)c(O)c(O)c1-c1ccc(O)cc1)c1ccccc1 ZINC000095918953 KK Annotated Clean in-vitro biogenic COc1cc(C[C@@H]2c3cc(OC)c(OC)c(O)c3CCN2C)c(Oc2cc(C[C@H]3c4cc(OC)c(OC)c(OC)c4CCN3C)ccc2OC)cc1OC ZINC000095919026 KK Annotated Anodyne in-vitro biogenic C=C1[C@@H](OC(C)=O)CC[C@@]2(C)C[C@H](OC(C)=O)C3=C(C)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]([C@@H](OC(C)=O)[C@@H]12)C3(C)C ZINC000095919094 KK Annotated Mild in-vitro biogenic COc1cc(O)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)C(=O)C[C@](C)(O)C5)c2c1)C[C@](C)(OC(C)=O)CC3=O ZINC000095919115 KK Annotated Anodyne in-vitro biogenic C=C(CC[C@@H](C(=O)OC)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000095919271 KK Annotated Mild CC(=O)O[C@@H]1[C@H](OC(C)=O)C2=C(CC[C@@H]3C(C)(C)C(=O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C ZINC000095919294 KK Annotated Anodyne CC(=O)O[C@@H]1C=C2C(=CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]23C)[C@]2(C)CC[C@H]([C@H](C)CC/C=C(/C)C(=O)O)[C@@]12C ZINC000095919295 KK Annotated Anodyne CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3=CC=C4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C ZINC000095919316 KK Annotated Mild in-vitro biogenic Oc1ccc([C@H]2Oc3cc(O)c4c5c3[C@H]2c2cc(O)cc(O)c2[C@@H](c2ccc(O)cc2)[C@@H]5[C@@H](c2ccc(O)cc2)[C@H]4c2cc(O)cc(O)c2)cc1 ZINC000095919337 KK Annotated Anodyne in-vitro biogenic CC(=O)O[C@@H]1[C@@H]2C(C)=C3C[C@H](C(C)C)C(=O)C[C@H](C)[C@@]31[C@H]1C(=O)C(C)=C3CC(=C(C)C)C(=O)C[C@@H](C)[C@]321 ZINC000095919366 KK Annotated Mild in-vitro biogenic CC(=O)O[C@H]1[C@H]2C(C)=C3C[C@@H](C(C)C)C(=O)C[C@@H](C)[C@]31[C@]1(C)C3=C(C(=O)[C@H]21)[C@H](C)C[C@@]1(O)OOC(C)(C)C1=C3 ZINC000095919369 KK Annotated Reactive in-vitro biogenic CC(=O)O[C@@H]1[C@@H]2C(C)=C3C[C@H](C(C)C)C(=O)C[C@H](C)[C@@]31[C@@H]1C(=O)C(C)=C3C=C4C(C)(C)OO[C@]4(O)C[C@@H](C)[C@@]321 ZINC000095919370 KK Annotated Reactive in-vitro biogenic Cc1c2c(cc3c1O[C@H]1c4c(cc(O)c(O)c4C)[C@]4(C)CC[C@@]5(C)[C@@H]6C[C@@H](C)C(=O)C[C@]6(C)CC[C@]5(C)[C@H]4[C@@H]1O3)C1=CC[C@@]3(C)[C@@H]4C[C@@H](C)C(=O)C[C@]4(C)CC[C@]3(C)[C@]1(C)C=C2 ZINC000095919448 KK Annotated Anodyne C[C@H]1[C@]2(O)C[C@H](O)[C@H]3[C@]4(C)CC[C@]56CCC[C@@]4(CC[C@@]31CO2)[C@@]5(C)CC[C@@]1(C)CC[C@@](C)(C(=O)O)C[C@H]16 ZINC000095919493 KK Annotated Anodyne in-vitro biogenic CCCCCc1cccc(C[C@H]2C[C@@H]([C@@H](O)[C@@H]3C=CC[C@@H](C4CCCC4)C3)N3CCC=C4O/C(=C5\OC(=O)C(C)=C5OC)[C@@H](C)[C@@H]4[C@@H]3C2)c1 ZINC000095919494 KK Annotated Anodyne in-vitro biogenic CO[C@H]1C[C@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C ZINC000096006017 KK Annotated Anodyne CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5C[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 ZINC000096006024 KK Annotated Mild fda CC[C@@H]1c2cc3[nH]c4c(c3C)C(=O)[C@@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096006037 KK Annotated Anodyne C=C1[C@H](O)[C@H]2O[C@@]3(CC[C@@H](/C=C/[C@@H](C)[C@H]4CC(C)=C[C@]5(O[C@@H](C[C@@](C)(O)C(=O)O)CC[C@@H]5O)O4)O3)CC[C@H]2O[C@H]1[C@@H](O)C[C@H](C)[C@@H]1O[C@]2(CCCCO2)CC[C@H]1C ZINC000096006044 KK Annotated Mild in-vivo C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N[C@](C)([C@H]5N=C1[C@@](C)(CCC(=O)O)[C@@H]5CC(=O)O)[C@](C)(CC(=O)O)[C@H]4CCC(=O)O)[C@](C)(CC(=O)O)[C@H]3CCC(=O)O)C(C)(C)[C@H]2CCC(=O)O ZINC000096006054 KK Annotated Anodyne in-vivo CC[C@@H](OC)[C@@H](C)C(=O)CC[C@H](C)[C@H](OC)[C@H](C)[C@H]1OC(=O)/C=C\C=C(/C)C[C@@H](OC)CC2=CC(=O)O[C@H](C2)[C@H](C)[C@@H](OC)C[C@H](OC)/C=C/[C@H](C)[C@@H](OC)C[C@@H](OC)/C=C/[C@@H]1C ZINC000096006132 KK Annotated Anodyne in-vivo CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](OC(=O)/C=C/c5ccc(O)c(OC)c5)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C ZINC000096017915 KK Annotated Anodyne CCCNC(=O)OC[C@H]1O[C@H](CCO/N=C/c2ccc(C(=O)N3[C@H](C(=O)OC)CC[C@H](C)[C@H]3c3ccc(C)cc3)cc2)C=C[C@@H]1Oc1ccc(OC)cc1 ZINC000096018102 KK Annotated Mild COc1ccc2c(c1)[C@@H](NS(C)(=O)=O)[C@H](C)[C@@H](c1ccccc1)N2C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096018407 KK Annotated Anodyne COc1ccc2c(c1)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)[C@@H](c1ccccc1)N2C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000096018408 KK Annotated Anodyne COc1ccc(NC(=O)N2c3ccc(OC)cc3[C@@H](NC(=O)c3ccc(C)s3)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000096018412 KK Annotated Anodyne COc1ccc(NC(=O)N2c3ccc(OC)cc3[C@@H](NCc3ccc(C)o3)[C@H](C)[C@H]2c2ccccc2)cc1 ZINC000096018413 KK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNCCc4c[nH]c5ccccc45)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018450 KK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNCc4cccc5ccccc45)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018454 KK Annotated Anodyne Clc1ccc([C@H]2OC[C@@]3(CNCc4ccc5c(c4)OCO5)CS[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000096018455 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](O)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccc(-c3ccccc3)cc12 ZINC000096018460 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc3c(c2)[C@]2(CCC[C@@H](O)[C@@H]2NC(=O)CCc2ccccc2)C(=O)N3Cc2ccccc2)cc1 ZINC000096018461 KK Annotated Anodyne CC(=O)O[C@@H]1CCC[C@@]2(C(=O)N(Cc3ccccc3)c3ccc(-c4c(C)noc4C)cc32)[C@H]1NC(=O)CCc1ccccc1 ZINC000096018462 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)C2CC2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018465 KK Annotated Anodyne C#CCCC(=O)O[C@H]1CCC[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]1NC(=O)CCc1ccccc1 ZINC000096018466 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2ccco2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018467 KK Annotated Anodyne Cc1cc(C(=O)O[C@H]2CCC[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@H]2NC(=O)CCc2ccccc2)no1 ZINC000096018468 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2cccnc2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018469 KK Annotated Anodyne Cn1ccc2ccc(-c3ccc4c(c3)[C@]3(CCC[C@@H](OCc5ccccc5)[C@@H]3NC(=O)CCc3ccccc3)C(=O)N4Cc3ccccc3)cc21 ZINC000096018473 KK Annotated Anodyne CC(C)(C)OC(=O)NCCCc1ccc2c(c1)[C@]1(CCC[C@@H](OCc3ccccc3)[C@@H]1NC(=O)CCc1ccccc1)C(=O)N2Cc1ccccc1 ZINC000096018474 KK Annotated Anodyne COC(=O)c1ccc(-c2ccc3c(c2)[C@]2(CCC[C@@H](OCc4ccccc4)[C@@H]2NC(=O)CCc2ccccc2)C(=O)N3Cc2ccccc2)cc1 ZINC000096018475 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OCc2ccccc2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccc(-c3cnccn3)cc12 ZINC000096018476 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OCc2ccccc2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccc(-c3ccsc3)cc12 ZINC000096018477 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OCc2ccccc2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccc(-c3ccccn3)cc12 ZINC000096018478 KK Annotated Anodyne Cc1cc(C(=O)O[C@@H]2CCC[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@H]2NC(=O)CCc2ccccc2)no1 ZINC000096018480 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OC(=O)c2ccco2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018481 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OC(=O)c2ccc3ccccc3n2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018485 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OC(=O)c2cccnc2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018486 KK Annotated Anodyne CC(C)(C)C(=O)O[C@@H]1CCC[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]1NC(=O)CCc1ccccc1 ZINC000096018487 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OCc2ccccc2)CCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018488 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018493 KK Annotated Anodyne Cc1cc(C(=O)O[C@H]2CCC[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@H]2NC(=O)CCc2ccccc2)no1 ZINC000096018495 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2ccco2)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018496 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@@H](OC(=O)c2cccnc2)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018499 KK Annotated Anodyne O=C(CCc1ccccc1)N[C@H]1[C@H](OC(=O)c2ccco2)CCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 ZINC000096018501 KK Annotated Anodyne Cc1cc(C(=O)O[C@@H]2CCC[C@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@H]2NC(=O)CCc2ccccc2)no1 ZINC000096018503 KK Annotated Anodyne COC(=O)[C@]12C=CCN1[C@@H](c1ccc(Cl)cc1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018524 KK Annotated Anodyne COC(=O)[C@]12C=CCN1[C@H](c1ccc(Cl)cc1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018525 KK Annotated Anodyne COC(=O)[C@]12C=CCN1[C@@H](c1ccc(C(F)(F)F)cc1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018528 KK Annotated Anodyne COC(=O)[C@]12C=CCN1[C@H](c1ccc(C(F)(F)F)cc1)c1c(c3ccccc3n1S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096018529 KK Annotated Anodyne CC(C)(C)N(Cc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccc(N2CCCCC2)cc1Br ZINC000096019369 KK Annotated Anodyne O=S1(=O)c2c(cccc2N2CCSCC2)Oc2ccccc2CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096019480 KK Annotated Anodyne O=S1(=O)c2c(NCc3ccco3)cccc2Oc2ccccc2CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096019486 KK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(Cl)cc3)nn1)Cc1ccccc1O2 ZINC000096019489 KK Annotated Anodyne O=S1(=O)c2c(NCc3ccco3)cccc2Oc2ccccc2CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096019501 KK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(F)cc3)nn1)Cc1ccccc1O2 ZINC000096019504 KK Annotated Anodyne O=S1(=O)c2c(NCc3ccco3)cccc2Oc2ccccc2CN1Cc1cn(Cc2cccc(F)c2)nn1 ZINC000096019515 KK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3cccc(F)c3)nn1)Cc1ccccc1O2 ZINC000096019517 KK Annotated Anodyne O=S1(=O)c2c(cccc2N2CCSCC2)Oc2ccccc2CN1Cc1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000096019522 KK Annotated Anodyne O=S1(=O)c2c(NCc3ccco3)cccc2Oc2ccccc2CN1Cc1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000096019524 KK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccccc3C(F)(F)F)nn1)Cc1ccccc1O2 ZINC000096019527 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(F)cc2)nn1 ZINC000096019532 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096019547 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCSCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096019551 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096019555 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2Oc2ccccc2CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096019560 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCSCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096019565 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096019569 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000096019574 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCSCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000096019579 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccccc2C(F)(F)F)nn1 ZINC000096019581 KK Annotated Anodyne CC[C@@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccccc3C(F)(F)F)nn1)Cc1ccccc1O2 ZINC000096019857 KK Annotated Anodyne CC[C@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccccc3C(F)(F)F)nn1)Cc1ccccc1O2 ZINC000096019859 KK Annotated Anodyne O=S1(=O)c2c(cccc2N2CCSCC2)Oc2ccccc2CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096019860 KK Annotated Anodyne CC[C@@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(C(F)(F)F)cc3)nn1)Cc1ccccc1O2 ZINC000096019862 KK Annotated Anodyne CC[C@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(C(F)(F)F)cc3)nn1)Cc1ccccc1O2 ZINC000096019865 KK Annotated Anodyne O=S1(=O)c2c(NCc3ccco3)cccc2Oc2ccccc2CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096019867 KK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3ccc(C(F)(F)F)cc3)nn1)Cc1ccccc1O2 ZINC000096019869 KK Annotated Anodyne O=S1(=O)c2c(cccc2N2CCSCC2)Oc2ccccc2CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096019873 KK Annotated Anodyne CC[C@@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3cccc(C(F)(F)F)c3)nn1)Cc1ccccc1O2 ZINC000096019875 KK Annotated Anodyne CC[C@H](CO)Nc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3cccc(C(F)(F)F)c3)nn1)Cc1ccccc1O2 ZINC000096019877 KK Annotated Anodyne O=S1(=O)c2c(NCc3ccco3)cccc2Oc2ccccc2CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 ZINC000096019880 KK Annotated Anodyne CC(C)CNc1cccc2c1S(=O)(=O)N(Cc1cn(Cc3cccc(C(F)(F)F)c3)nn1)Cc1ccccc1O2 ZINC000096019882 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2Oc2ccccc2CN1Cc1cn(Cc2cccc(F)c2)nn1 ZINC000096019886 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCN(Cc4ccccc4F)CC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096019893 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCSCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096019895 KK Annotated Anodyne O=S1(=O)c2ccc(N3CCCC3)cc2Oc2ccccc2CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000096019897 KK Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@H](Cc2ccccc2)N1Cc1cn(Cc2ccc(Br)cc2)nn1 ZINC000096020638 KK Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@H](Cc2ccccc2)N1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020661 KK Annotated Anodyne O=S1(=O)c2ccc(Br)cc2OC[C@@H](Cc2ccccc2)N1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020662 KK Annotated Anodyne CC(C)C[C@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020663 KK Annotated Anodyne CC(C)C[C@@H]1COc2cc(Br)ccc2S(=O)(=O)N1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 ZINC000096020664 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(N3C(c4ccsc4)=Cc4ccccc4[C@H]3CC(C)=O)cc2)cc([N+](=O)[O-])c1 ZINC000096020769 KK Annotated Anodyne CCOC(=O)c1cc(-c2ccc(N3C(c4ccsc4)=Cc4ccccc4[C@@H]3CC(C)=O)cc2)cc([N+](=O)[O-])c1 ZINC000096020770 KK Annotated Anodyne COc1ccc(C2=Cc3ccccc3[C@H](CC(=O)C3CC3)N2c2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000096020771 KK Annotated Anodyne COc1ccc(C2=Cc3ccccc3[C@@H](CC(=O)C3CC3)N2c2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000096020772 KK Annotated Anodyne COc1cccc(C2=Cc3ccc(F)cc3[C@@H](CC(C)=O)N2c2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)c1 ZINC000096020773 KK Annotated Anodyne COc1cccc(C2=Cc3ccc(F)cc3[C@H](CC(C)=O)N2c2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)c1 ZINC000096020774 KK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(N3C(c4cccc(OC)c4)=Cc4ccc(F)cc4[C@H]3CC(C)=O)cc2)cc1F ZINC000096020775 KK Annotated Anodyne CCOC(=O)c1ccc(-c2ccc(N3C(c4cccc(OC)c4)=Cc4ccc(F)cc4[C@@H]3CC(C)=O)cc2)cc1F ZINC000096020776 KK Annotated Anodyne COc1cc(OC)cc(-c2c(Sc3ccccc3)c3cc(-c4ccc5c(c4)OCCO5)ccc3n2C)c1 ZINC000096020780 KK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cccc(NCCc3ccccc3)c2S(=O)(=O)N1Cc1ccc(F)cc1 ZINC000096021190 KK Annotated Anodyne Cc1ccccc1CN1[C@@H](C)[C@H](c2ccccc2)Oc2cccc(NCCc3ccccc3)c2S1(=O)=O ZINC000096021191 KK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cccc(NCCc3ccccc3)c2S(=O)(=O)N1Cc1cccc(F)c1 ZINC000096021194 KK Annotated Anodyne C[C@H]1CCCN(c2cccc3c2S(=O)(=O)N(Cc2cccc(Cl)c2)[C@@H](C)[C@H](c2ccccc2)O3)C1 ZINC000096021196 KK Annotated Anodyne C[C@H]1[C@H](c2ccccc2)Oc2cccc(NCCc3ccccc3)c2S(=O)(=O)N1Cc1cccc(Cl)c1 ZINC000096021201 KK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(C(C)C)cc3)cccc2O1 ZINC000096021204 KK Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(C(C)C)cc3)cccc2O1 ZINC000096021205 KK Annotated Anodyne COc1cc(CNc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc(OC)c1OC ZINC000096021211 KK Annotated Anodyne Cc1ccc(S(=O)(=O)N(C)c2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1 ZINC000096021212 KK Annotated Anodyne COc1ccc(Sc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1OC ZINC000096021213 KK Annotated Anodyne COc1cc(F)ccc1Oc1cccc2c1S(=O)(=O)N([C@H](C)c1ccccc1)C[C@@H](COCc1ccccc1)O2 ZINC000096021214 KK Annotated Anodyne C[C@@H]1CCCN(c2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)C1 ZINC000096021215 KK Annotated Anodyne C[C@H]1CCCN(c2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)C1 ZINC000096021216 KK Annotated Anodyne COc1ccc(CN2C[C@H](COCc3ccccc3)Oc3cccc(Oc4ccc(C(C)C)cc4)c3S2(=O)=O)cc1 ZINC000096021305 KK Annotated Anodyne CCCCOC[C@H]1CN(CCCC)S(=O)(=O)c2c(cccc2Sc2ccc(OC)c(OC)c2)O1 ZINC000096021314 KK Annotated Anodyne CCCCOC[C@@H]1CN(CCCC)S(=O)(=O)c2c(cccc2Sc2ccc(OC)c(OC)c2)O1 ZINC000096021315 KK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3cc(C)c(C)c(C)c3)cccc2O1 ZINC000096021319 KK Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3cc(C)c(C)c(C)c3)cccc2O1 ZINC000096021320 KK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(NCc3cc(OC)c(OC)c(OC)c3)cccc2O1 ZINC000096021321 KK Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(NCc3cc(OC)c(OC)c(OC)c3)cccc2O1 ZINC000096021322 KK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2Sc2ccc(OC)c(OC)c2)O1 ZINC000096021328 KK Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(cccc2Sc2ccc(OC)c(OC)c2)O1 ZINC000096021329 KK Annotated Anodyne C=CCC[C@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(F)cc3OC)cccc2O1 ZINC000096021330 KK Annotated Anodyne C=CCC[C@@H]1CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(Oc3ccc(F)cc3OC)cccc2O1 ZINC000096021331 KK Annotated Anodyne C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(F)cc3)c2S1(=O)=O ZINC000096021340 KK Annotated Anodyne Cc1cc(Oc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc(C)c1C ZINC000096021341 KK Annotated Anodyne C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(C(C)(C)C)cc3)c2S1(=O)=O ZINC000096021342 KK Annotated Anodyne C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccccc3)c2S1(=O)=O ZINC000096021343 KK Annotated Anodyne CC(C)c1ccc(Oc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1 ZINC000096021344 KK Annotated Anodyne Cc1ccc(Oc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1 ZINC000096021345 KK Annotated Anodyne C[C@H](c1ccccc1)N1C[C@@H](COCc2ccccc2)Oc2cccc(N3CCCCC3)c2S1(=O)=O ZINC000096021346 KK Annotated Anodyne CSc1ccc(Oc2cccc3c2S(=O)(=O)N([C@H](C)c2ccccc2)C[C@@H](COCc2ccccc2)O3)cc1C ZINC000096021348 KK Annotated Anodyne CCCC(=O)OC[C@H]1CN(C2CCCC2)S(=O)(=O)c2c(Oc3ccc(C(C)(C)C)cc3)cccc2O1 ZINC000096021350 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(NCc3cc(OC)c(OC)c(OC)c3)c2S1(=O)=O ZINC000096021356 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(NCc3cc(OC)c(OC)c(OC)c3)c2S1(=O)=O ZINC000096021357 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Oc3ccc(SC)c(C)c3)c2S1(=O)=O ZINC000096021360 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Oc3ccc(SC)c(C)c3)c2S1(=O)=O ZINC000096021361 KK Annotated Anodyne CCCCN1C[C@H](COCc2ccccc2)Oc2cccc(Sc3ccc(OC)c(OC)c3)c2S1(=O)=O ZINC000096021362 KK Annotated Anodyne CCCCN1C[C@@H](COCc2ccccc2)Oc2cccc(Sc3ccc(OC)c(OC)c3)c2S1(=O)=O ZINC000096021363 KK Annotated Anodyne O=C(N[C@H]1CC=C[C@@H](c2ccc(Br)cc2)N(Cc2ccccc2)C(=O)C1)OCC1c2ccccc2-c2ccccc21 ZINC000096021589 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000096022969 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(C2CCCCC2)cc1 ZINC000096022970 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000096022971 KK Annotated Bother CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000096022972 KK Annotated Bother CC(C)(C)NC(=O)[C@@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(I)cc1 ZINC000096022978 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(-c2ccccc2)cc1)N(C[C@H]1CC[C@@H]([C@@H]2CC[C@H](CO)O2)O1)C(=O)c1ccc(I)cc1 ZINC000096022979 KK Annotated Anodyne CCCCCCN(CC(=O)NCCCC)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023012 KK Annotated Anodyne CCCCCCN(CC(=O)NCCCC)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023013 KK Annotated Anodyne CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023050 KK Annotated Anodyne CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023051 KK Annotated Anodyne CCCCNC(=O)[C@@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023052 KK Annotated Anodyne CCCCNC(=O)[C@H](C)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023053 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C)C(=O)NCCCC ZINC000096023054 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C)C(=O)NCCCC ZINC000096023055 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C)C(=O)NCCCC ZINC000096023056 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C)C(=O)NCCCC ZINC000096023057 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023058 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023059 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023060 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023061 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023062 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023063 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023064 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN1CCOCC1)C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023065 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)C1CCCCC1 ZINC000096023066 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)C1CCCCC1 ZINC000096023067 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@H](C(=O)NCCCC)C1CCCCC1 ZINC000096023068 KK Annotated Anodyne CCCCCCN(C(=O)CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)[C@@H](C(=O)NCCCC)C1CCCCC1 ZINC000096023069 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023070 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023071 KK Annotated Anodyne CCCCNC(=O)[C@@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023072 KK Annotated Anodyne CCCCNC(=O)[C@H](C1CCCCC1)N(CCN(C)C)C(=O)CCCCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C ZINC000096023073 KK Annotated Anodyne C/C=C1\c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096061860 KK Annotated Anodyne CC[C@H]1c2cc3[nH]c4c(c3C)C(=O)[C@H](C(=O)OC)c4c3nc(cc4[nH]c(cc(n2)[C@@H]1C)c(C(C)=O)c4C)[C@@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096068403 KK Annotated Anodyne in-vitro CN1/C(=C\C=C\C=C\C2=[N+](CCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2cc(NC(=O)CI)ccc21 ZINC000096077616 KK Annotated Reactive in-vitro CN1/C(=C\C=C\C=C\C=C\C2=[N+](CCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2cc(NC(=O)CI)ccc21 ZINC000096077617 KK Annotated Reactive in-vitro CN1/C(=C/C=C/c2cc[n+](CCCC(CCCC(CCC[n+]3ccc(/C=C/C=C4\Sc5ccccc5N4C)c4ccccc43)=[N+](C)C)=[N+](C)C)c3ccccc23)Sc2ccccc21 ZINC000096077618 KK Annotated Mild in-vitro c1cc2cc3ccc([nH]3)c(-c3c4ccc(cc5ccc([nH]5)c(-c5c6ccc(cc7ccc(cc8ccc(cc9ccc5[nH]9)n8)[nH]7)n6)c5ccc(cc6ccc3[nH]6)n5)n4)c3ccc(cc4ccc(cc1n2)[nH]4)n3 ZINC000096077619 KK Annotated Anodyne in-vitro O=C(O)CN(CC(=O)O)c1ccccc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c(O)cc3Oc3cc(O)c(Cl)cc32)ccc1N(CC(=O)O)CC(=O)O ZINC000096077620 KK Annotated Anodyne in-vitro C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)O)[C@H]5CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)C(C)(C)[C@@H]2CCC(=O)O ZINC000096077688 KK Annotated Anodyne in-vitro CC1=C(CCC(=O)O)C2=N[C@@]1(C)CC1=N/C(=C(/C)C3=N[C@@](C)([C@@H]4N=C([C@@H]2C)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CCC(=O)O ZINC000096077702 KK Annotated Anodyne in-vitro CC1=C(CCC(=O)O)C2=N[C@@]1(C)CC1=N/C(=C(/C)C3=N[C@@](C)([C@@H]4N=C([C@H]2C)[C@](C)(CCC(=O)O)[C@H]4CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CCC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CCC(=O)O ZINC000096077703 KK Annotated Anodyne in-vitro O=C1C(I)=CC2=C(c3ccccc3C(=O)O)[C@@H]3C=C(I)C(O)=C(I)[C@@H]3OC2=C1I ZINC000096077753 KK Annotated Mild in-vitro O=C1C(I)=CC2=C(c3ccccc3C(=O)O)[C@@H]3C=C(I)C(O)=C(I)[C@H]3OC2=C1I ZINC000096077754 KK Annotated Mild in-vitro CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 ZINC000096085352 KK Annotated Reactive in-vitro CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 ZINC000096085353 KK Annotated Reactive in-vitro C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 ZINC000096085354 KK Annotated Reactive in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CCC=C(C)C)[C@@H]1Cc1cc(C(=O)O)cc(Br)c1O ZINC000096085357 KK Annotated Reactive in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CC[C@H](Br)C(C)(C)Cl)[C@@H]1Cc1cc(Br)cc(Br)c1O ZINC000096085358 KK Annotated Reactive in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CC[C@@H](Br)C(C)(C)Cl)[C@@H]1Cc1cc(Br)cc(Br)c1O ZINC000096085359 KK Annotated Reactive in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CC[C@H](Cl)C(C)(C)Br)[C@@H]1Cc1cc(Br)cc(Br)c1O ZINC000096085360 KK Annotated Reactive in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CC[C@@H](Cl)C(C)(C)Br)[C@@H]1Cc1cc(Br)cc(Br)c1O ZINC000096085361 KK Annotated Reactive in-vitro COC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@@H]([C@H](C)[C@H]3CC=C(C)C(=O)O3)[C@@]1(C)CC2 ZINC000096085379 KK Annotated Anodyne in-vitro CC1(C)[C@@H](OC(=O)/C=C/c2ccc(O)cc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]4(C)C3=CC[C@@H]12 ZINC000096085386 KK Annotated Anodyne in-vitro CC(=O)O[C@H]1CC(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]2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)[C@](C)(O)C1 ZINC000096085412 KK Annotated Bother in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@H]1CCC(C)=C[C@H]31)C(=O)[C@@H]1[C@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085446 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@H]1CCC(C)=C[C@H]31)C(=O)[C@@H]1[C@@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085447 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@H]1CCC(C)=C[C@H]31)C(=O)[C@H]1[C@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085448 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)[C@H]1CCC(C)=C[C@H]31)C(=O)[C@H]1[C@@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085449 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@H]1[C@@H](OC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085451 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@H]1[C@H](OC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085452 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@@H]1[C@@H](OC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085453 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@@H]1[C@H](OC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085454 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@@H]1[C@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085455 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@@H]1[C@@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085456 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@H]1[C@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085457 KK Annotated Mild in-vitro C=CC(C)(C)c1c2c(c(O)c3c1OC(C)(C)c1ccc(C)cc1-3)C(=O)[C@H]1[C@@H](OCC)[C@H]3C[C@@H]4C(C)(C)O[C@](C/C=C(\C)C(=O)O)(C3=O)[C@]14O2 ZINC000096085458 KK Annotated Mild in-vitro CC1=C[C@@H](c2cc([C@@H]3CC(=O)c4ccc(O)cc4O3)c(O)cc2O)[C@H](C(=O)c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2O)C1 ZINC000096085471 KK Annotated Anodyne in-vitro C/C1=C\CC[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000096085490 KK Annotated Anodyne in-vitro C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H]([C@H](O)c2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000096085491 KK Annotated Anodyne in-vitro C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@H](O)c2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000096085492 KK Annotated Anodyne in-vitro C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@H]([C@@H](O)c2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000096085493 KK Annotated Anodyne in-vitro C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](O)c2c(Br)[nH]c3ccccc23)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000096085494 KK Annotated Anodyne in-vitro Oc1cc(Cc2c(O)c(O)c3oc4c(O)c(Br)cc5ccc2c3c54)cc(Br)c1O ZINC000096085568 KK Annotated Clean CC(=O)O[C@@](C)([C@H]1CC[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C)[C@@H]1OC(=O)C2CC1C2 ZINC000096085594 KK Annotated Anodyne in-vitro C=C(C)[C@@H]1CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@H]3C(C)(C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)CC[C@]23C)[C@@]1(C)CCC(=O)O ZINC000096085625 KK Annotated Mild in-vitro COc1c(SC)c(CCN(C)C)c2ssc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3sc2c1OC ZINC000096085629 KK Annotated Bother in-vitro Oc1ccc([C@H]2O[C@H](c3ccc(O)cc3)[C@@H](c3cc(O)cc(O)c3)[C@H]2c2cc3c(cc2O)O[C@@H](c2ccc(O)cc2)[C@@H]3c2cc(O)cc(O)c2)cc1 ZINC000096085642 KK Annotated Anodyne in-vitro Oc1ccc([C@H]2O[C@@H](c3ccc(O)cc3)[C@H](c3cc4c(cc3O)O[C@@H](c3ccc(O)cc3)[C@@H]4c3cc4c(cc3O)O[C@@H](c3ccc(O)cc3)[C@@H]4c3cc(O)cc(O)c3)[C@@H]2c2cc(O)cc(O)c2)cc1 ZINC000096085643 KK Annotated Anodyne in-vitro 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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]1CC3)C(C)C ZINC000096085653 KK Annotated Mild in-vitro O=C(/C=C\[C@@H]1[C@@H](/C=C/c2ccc3c(c2)OCO3)[C@H](C(=O)N2CCCCC2)[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000096085668 KK Annotated Anodyne CCO[C@@H]1O[C@@H]([C@@H](O)C(C)(C)OCC)C[C@H]1[C@@H]1CC=C2[C@@]1(C)CC[C@@H]1[C@@]3(C)C=CC(=O)C(C)(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000096085675 KK Annotated Anodyne CCCCCCCCCCCCCCC[C@@H](C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@H]1CC=CC(=O)O1)OC(C)=O ZINC000096085773 KK Annotated Mild in-vitro CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 ZINC000096085803 KK Annotated Anodyne COc1c(C)c(CCCCCCCCCCSSCCCCCCCCCCc2oc(=O)c(OC)c(OC)c2C)oc(=O)c1OC ZINC000096085908 KK Annotated Reactive in-vitro CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000096085920 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000096085921 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)/C(C)=C/[C@H](C)/C=C/N(C)C=O ZINC000096085922 KK Annotated Mild CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](O)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000096085923 KK Annotated Anodyne CO[C@@H](C[C@@H]1OC(=O)C[C@@H](OC(N)=O)C[C@H](C)C[C@H](O)[C@H](C)[C@@H](OC)c2coc(n2)-c2coc(n2)-c2coc(n2)/C=C/C[C@H](OC)[C@H]1C)[C@@H](C)CCC(=O)[C@H](C)[C@H](OC)[C@H](C)/C=C/N(C)C=O ZINC000096085924 KK Annotated Anodyne CC(C)CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000096086159 KK Annotated Anodyne CC(C)=CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](C[C@@H](O)[C@]3(C)[C@@H]2CC[C@]24C[C@@]23CC[C@H]4[C@@H]2C[C@H]([C@@H]3OC3(C)C)O[C@H]2O)C1(C)C ZINC000096086161 KK Annotated Anodyne CC(=O)O[C@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C2=CC[C@]3(C)[C@H]4[C@H](O)C[C@@H](C(C)C)[C@]4(CO)CC[C@@]3(C)[C@@H]21 ZINC000096086191 KK Annotated Anodyne in-vitro CC(=O)O[C@H]1C[C@H]2[C@](C)(C(=O)O)[C@@H](O)CC[C@@]23C[C@]32CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@]3(C)[C@H]12 ZINC000096086305 KK Annotated Anodyne in-vitro CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]23C)C1(C)C ZINC000096086366 KK Annotated Anodyne in-vitro CC(C)=CC[C@@H]1C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O ZINC000096086381 KK Annotated Mild COc1c(C)c(O)c(C(=O)CC(C)C)c2c1C[C@H]1C[C@@H](c3ccc4c(c3)OCO4)O[C@]1(c1ccc3c(c1)OCO3)O2 ZINC000096086392 KK Annotated Anodyne in-vitro COc1c(C)c(O)c(C(=O)CC(C)C)c2c1C[C@H]1C[C@@H](c3ccc4c(c3)OCO4)O[C@@]1(c1ccc3c(c1)OCO3)O2 ZINC000096086393 KK Annotated Anodyne COC(=O)[C@]12CC[C@@H](C(C)(C)O)O[C@@H]1[C@H]1CC[C@@H]3[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@@]3(C)[C@]1(C)CC2 ZINC000096086408 KK Annotated Anodyne COC(=O)CC[C@@]1(C)[C@H](C(C)(C)O)CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)CC[C@]12C ZINC000096086410 KK Annotated Anodyne CC1=C(CCC(=O)O)C2=N[C@@]1(C)CC1=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N1)/C=C1\N[C@@](C)([C@@H]3N=C([C@@H]2C)[C@](C)(CCC(=O)O)[C@H]3CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CCC(=O)O ZINC000096086543 KK Annotated Anodyne in-vitro CC1=C(CCC(=O)O)C2=N[C@@]1(C)CC1=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N1)/C=C1\N[C@@](C)([C@@H]3N=C([C@H]2C)[C@](C)(CCC(=O)O)[C@H]3CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]1CCC(=O)O ZINC000096086544 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@@H](C)C(=O)O)NC(=O)C[C@@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@@H](O)CC(C)C ZINC000096086587 KK Annotated Anodyne in-vitro C/C(=C/C=C/C=C/[C@@H](C)C(=O)O)NC(=O)C[C@@H](O)/C(C)=C\C=C/C=C(C)/C=C/C=C\C=C\CNC(=O)[C@H](O)CC(C)C ZINC000096086588 KK Annotated Anodyne in-vitro CSc1c(CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)c(O)c2sccc2c1O ZINC000096095033 KK Annotated Anodyne in-vitro CSc1c(CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)c(O)c2sccc2c1O ZINC000096095034 KK Annotated Anodyne in-vitro CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096095265 KK Annotated Anodyne in-vitro O=S1(=O)N(Cc2cccc(-c3cccs3)c2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000096126693 KK Annotated Anodyne O=S1(=O)N(Cc2ccccc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1ccc(-c2cccs2)cc1 ZINC000096126696 KK Annotated Anodyne O=S1(=O)N(Cc2ccc(-c3cccs3)cc2)[C@H](COc2ccccc2)[C@H](O)[C@@H](O)[C@@H](COc2ccccc2)N1Cc1cccc(-c2cccs2)c1 ZINC000096126704 KK Annotated Anodyne O=S1(=O)N(Cc2ccccc2-c2cccc(C(F)(F)F)c2)C[C@H](O)[C@@H](O)CN1Cc1ccccc1-c1cccc(C(F)(F)F)c1 ZINC000096126907 KK Annotated Anodyne COc1cc(-c2c(C#N)c(N)n(S(=O)(=O)c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2C(=O)c2ccccc2)cc(OC)c1OC ZINC000096129295 KK Annotated Mild Cc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C(N)=C2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000096129792 KK Annotated Mild Cc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(OC(F)(F)F)cc3)C(N)=C2C(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000096129793 KK Annotated Mild O=C(O)c1cccc(C(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3O[C@@H]3C(=O)N(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cc2)c1 ZINC000096130581 KK Annotated Reactive CC(C)NC(=N)c1ccc2[nH]c(C3[C@H](c4ccccc4Cl)C(c4nc5ccc(C(=N)NC(C)C)cc5[nH]4)[C@H]3c3ccccc3Cl)nc2c1 ZINC000096131279 KK Annotated Anodyne [N-]=[N+]=Nc1ccc(NCCCCCC(=O)NCc2c(Cl)c(Cl)cc3c2Oc2cc(Cl)c(Cl)cc2O3)c([N+](=O)[O-])c1 ZINC000096142387 KK Annotated Mild N=[N+]=Nc1c(F)c(F)c(COCCCCC[C@@H](O)CN2CCN(C[C@H](O)CCCCCOc3ccc(I)cc3)CC2)c(F)c1F ZINC000096142400 KK Annotated Clean C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCCCn2cc(CNC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)nn2)=C1O ZINC000096142473 KK Annotated Mild CC(=O)NCCCc1sc(CCC(=O)CSCCCc2ccccc2)nc1CCc1ccccc1 ZINC000096142541 KK Annotated Anodyne Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)cc2)n1 ZINC000096142692 KK Annotated Anodyne O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000096142696 KK Annotated Anodyne CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3CCCCCC(=O)NCCN)ccc21 ZINC000096142719 KK Annotated Anodyne NCCNC(=O)CCCCC[n+]1c(/C=C/c2c(-c3ccccc3)[nH]c3ccccc23)ccc2ccccc21 ZINC000096142722 KK Annotated Clean CCOCCCN1C(=O)C(O)=C(C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1Oc1ccccc1 ZINC000096142732 KK Annotated Anodyne CCOCCCN1C(=O)C(O)=C(C(=O)NCc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1Oc1ccccc1 ZINC000096142733 KK Annotated Anodyne C=CCCCCCC[C@H](OC(=O)N(CCCCC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000096142945 KK Annotated Mild C=CCCCCCC[C@@H](OC(=O)N(CCCCC=C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)c1ccccc1 ZINC000096142946 KK Annotated Mild O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCC/C=C/CCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000096142947 KK Annotated Anodyne O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1CCCCCCCCCCCC[C@@H](c2ccccc2)OC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000096142948 KK Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)C1CCCCC1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142970 KK Annotated Anodyne CC(C)CN([C@@H](CO)CCCCNC(=O)[C@@H](NC(=O)OCc1ccccn1)C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(N)cc1 ZINC000096142988 KK Annotated Anodyne CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc(-c4ccc([C@H]5CCCOC5)cc4)no3)n2)cc1 ZINC000096167279 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167351 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Br)cc3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167352 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C)cc3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167355 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(C)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167356 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167357 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167358 KK Annotated Anodyne CC(=O)N1CCC(CN2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096167369 KK Annotated Anodyne CCOC(=O)c1cc2c(N3CCC[C@H](Cc4nc(N)c(C(C)=O)s4)C3)nc(-c3ccc(Cl)cc3Cl)cn2n1 ZINC000096167599 KK Annotated Anodyne CCOC(=O)c1cc2c(N3CCC[C@@H](Cc4nc(N)c(C(C)=O)s4)C3)nc(-c3ccc(Cl)cc3Cl)cn2n1 ZINC000096167600 KK Annotated Anodyne C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167627 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167635 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2cccc3ccccc23)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167636 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(Br)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167652 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cccc(-c3ccccc3)c2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167653 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(N3CCCCC3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167654 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167657 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(C(C)C)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167659 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc3ccccc3c2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167660 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(C3CCCCC3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167661 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3OC)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167662 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3F)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167663 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3C)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167664 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3cccc(F)c3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167665 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccc(F)cc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167666 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccsc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167667 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3cncnc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167668 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccc(OC)cc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167669 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3cccc(OC)c3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167670 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccc(C#N)cc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167671 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(N3CCCCC3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167673 KK Annotated Mild CCC[C@H](CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)C(=O)CC1CC1 ZINC000096167674 KK Annotated Clean CCC[C@H](CC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(Br)cc2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)C(=O)CC1CC1 ZINC000096167677 KK Annotated Clean C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(-c3ccccc3)nc(SC)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167680 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3)cc2)C(=O)N1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167681 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167682 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2ccc(-c3ccccc3)cc2)CN1C(=O)[C@@H](CC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096167683 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(-c3ccccc3)nc(C)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167685 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(Cl)nc(N3CCCCC3)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167688 KK Annotated Mild C=C[C@@H]1C[C@]1(CC(=O)[C@@H]1CN(c2cc(Cc3ccccc3)nc(C)n2)CN1C(=O)[C@@H](CC(=O)OC1CCCC1)C(C)(C)C)C(=O)NCC1CC1 ZINC000096167689 KK Annotated Mild CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(CC(C)C)c2cc(OCCCOC)c(C(C)C)cn2)C1)CC(C)C ZINC000096168506 KK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OCCCOC)c(C(C)C)cn2)C2CC2)[C@@H]1O)CC(C)C ZINC000096168507 KK Annotated Anodyne CCOC[C@@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)C1)C1CCCCC1 ZINC000096168511 KK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(CC(C)C)c2cc(OC)c(C(C)C)cn2)C1)CC(C)C ZINC000096168513 KK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(c2cc(OC)c(C(C)C)cn2)C2CC2)[C@@H]1O)CC(C)C ZINC000096168516 KK Annotated Anodyne CCOC[C@H](CC(=O)[C@@H]1CCC[C@H](C(=O)N(CC(C)C)c2cc(OCCCO)c(C(C)C)cn2)[C@@H]1O)CC(C)C ZINC000096168518 KK Annotated Anodyne CS(=O)(=O)c1ccc(-c2cccn3nc(Cc4ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc4)nc23)cc1 ZINC000096169571 KK Annotated Mild CC(C)(C)OC(=O)N1CCc2ccc(Nc3nc4c(-c5cccc6c5OC(F)(F)O6)cccn4n3)cc2CC1 ZINC000096169752 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5F)cccn4n3)cc2CC1 ZINC000096169774 KK Annotated Anodyne CC(=O)Nc1ccc(Sc2cccn3nc(Nc4ccc(C5CCN(C(=O)OC(C)(C)C)CC5)cc4)nc23)cc1 ZINC000096169786 KK Annotated Anodyne CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CCS(C)(=O)=O)CC4)nc12 ZINC000096169823 KK Annotated Anodyne CCOc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169824 KK Annotated Anodyne CC(C)Oc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169829 KK Annotated Anodyne CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2)CC1 ZINC000096169830 KK Annotated Anodyne FC(F)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 ZINC000096169831 KK Annotated Anodyne CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169832 KK Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3)nc12 ZINC000096169836 KK Annotated Anodyne COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)nc12 ZINC000096169839 KK Annotated Anodyne CC(C)COc1ccc(C(F)(F)F)cc1-c1cccn2nc(Nc3ccc4c(c3)CCN(CC(=O)N(C)C)CC4)nc12 ZINC000096169880 KK Annotated Anodyne CN(C)C(=O)N1CCc2ccc(Nc3nc4c(-c5cc(Cl)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169882 KK Annotated Anodyne CN(C)C(=O)CN1CCc2ccc(Nc3nc4c(-c5cc(C(F)F)ccc5OCC(F)F)cccn4n3)cc2CC1 ZINC000096169885 KK Annotated Anodyne COc1ccccc1C(=O)Cn1c(=O)c2cc(CC(F)(F)F)sc2n(Cc2c(F)cc(-c3ccccc3-c3noc(O)n3)cc2F)c1=O ZINC000096169970 KK Annotated Anodyne COc1cc(F)ccc1C(=O)Cn1c(=O)c2cc(C3CC3)sc2n(Cc2ccc(-c3ccccc3-c3noc(O)n3)cc2F)c1=O ZINC000096169971 KK Annotated Anodyne COc1ccc(C(=O)Cn2c(=O)c3cc(C4CC4)sc3n(Cc3c(F)cc(-c4ccccc4-c4noc(O)n4)cc3F)c2=O)cc1 ZINC000096169975 KK Annotated Anodyne CCc1cc2c(=O)n(-c3ccc(OC(C)C)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3F)c2s1 ZINC000096169990 KK Annotated Anodyne CCc1cc2c(=O)n(-c3ccc4c(c3)CC(C)(C)O4)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3F)c2s1 ZINC000096169991 KK Annotated Anodyne CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(O)n4)cc3OC)c2s1 ZINC000096169993 KK Annotated Anodyne CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccccc4-c4noc(O)n4)cc3Br)c2s1 ZINC000096169994 KK Annotated Anodyne CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3c(F)cc(-c4ccccc4-c4noc(O)n4)cc3F)c2s1 ZINC000096169995 KK Annotated Anodyne O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccn(Cc2ccccc2)c(=O)c1 ZINC000096170089 KK Annotated Anodyne O=C(NCc1c(-c2ncco2)n(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(N2CCCCC2)nc1 ZINC000096170095 KK Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccn(Cc2ccccc2Cl)c(=O)c1 ZINC000096170129 KK Annotated Anodyne O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccn(Cc2cccc(Cl)c2)c(=O)c1 ZINC000096170134 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 ZINC000096170153 KK Annotated Anodyne CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1 ZINC000096170154 KK Annotated Anodyne CCC(=O)C1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170164 KK Annotated Anodyne CC(C)(C)OC(=O)NC1CCN(c2ccc(C(=O)NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)cn2)CC1 ZINC000096170173 KK Annotated Anodyne CC(C)(O)CCC(=O)c1ccc(C(=O)NCc2cn(-c3ccccc3)c3cc(Cl)ccc3c2=O)cc1 ZINC000096170190 KK Annotated Anodyne O=C(NCc1cn(-c2ccccc2Cl)c2cc(Cl)ccc2c1=O)c1ccc(Br)nc1 ZINC000096170193 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ccccc5)COC4)ccc3C)c(F)c12 ZINC000096170420 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ccccn5)COC4)ccc3C)c(F)c12 ZINC000096170421 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ccccn5)COC4)c(OC)cc3C)c(F)c12 ZINC000096170422 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ccccn5)COC4)cc(F)c3C)c(F)c12 ZINC000096170423 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ncccn5)COC4)ccc3C)c(F)c12 ZINC000096170424 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ncccn5)COC4)c(OC)cc3C)c(F)c12 ZINC000096170425 KK Annotated Anodyne CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)CC4(c5ncccn5)COC4)cc(F)c3C)c(F)c12 ZINC000096170426 KK Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(-n3cccn3)nc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170432 KK Annotated Anodyne Cc1noc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)n1 ZINC000096170433 KK Annotated Anodyne CC(C)CN1CCC(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)CC1 ZINC000096170438 KK Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(C3CCCCC3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170440 KK Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170444 KK Annotated Mild Cc1nc(-c2ccc(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)cc2)no1 ZINC000096170460 KK Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)C2CCN(c3ccc(C#N)nc3)CC2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170462 KK Annotated Mild COc1ccc(N2CCC(C(=O)N3C[C@H](c4ccc(Cl)cc4)[C@@](C)(COc4ccc(Cl)cn4)C3)CC2)nn1 ZINC000096170463 KK Annotated Anodyne C[C@]1(COc2ccc(Cl)cn2)CN(C(=O)c2ccc(N3CCCCC3=O)cc2)C[C@@H]1c1ccc(Cl)cc1 ZINC000096170465 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@H](C)CO3)cc2n1Cc1cccnc1 ZINC000096172113 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 ZINC000096172114 KK Annotated Anodyne CC[C@H]1COC(c2ccc3c(C(=O)CCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 ZINC000096172115 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1cccnc1 ZINC000096172117 KK Annotated Anodyne CC[C@H]1COC(c2ccc3c(C(=O)NCc4ccc(F)c(F)c4)c(C(C)C)n(Cc4ncco4)c3c2)=N1 ZINC000096172118 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2cc(F)cc(F)c2)c2ccc(C3=N[C@@H](C)CO3)cc2n1Cc1ccccn1 ZINC000096172119 KK Annotated Anodyne CC[C@H]1COC(c2ccc3c(C(=O)NCc4cc(F)cc(F)c4)c(C(C)C)n(Cc4ccccn4)c3c2)=N1 ZINC000096172120 KK Annotated Anodyne CO/N=C(/C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC(C)C)cc2n1Cc1ccccn1 ZINC000096172135 KK Annotated Mild CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccc1 ZINC000096172144 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(C(F)(F)F)nc2)c2ccc(OC3CCCC3)cc2n1Cc1ccccn1 ZINC000096172148 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCOCC3)cc2n1Cc1ccccn1 ZINC000096172149 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ccccn1 ZINC000096172154 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1cccnc1 ZINC000096172156 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OC3CCCC3)cc2n1Cc1cccnc1 ZINC000096172157 KK Annotated Anodyne CC(C)Oc1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C[N+]3(C)CCCC3)n(Cc3ccccn3)c2c1 ZINC000096172173 KK Annotated Bother CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(/N=C3\NCCS3)cc2n1Cc1ccccn1 ZINC000096172180 KK Annotated Mild Cc1noc(C)c1-c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1 ZINC000096172196 KK Annotated Clean CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(N3CCOCC3)cc2n1Cc1ccccn1 ZINC000096172197 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3nccs3)cc2n1Cc1ncco1 ZINC000096172201 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ncc(Br)s3)cc2n1Cc1ncco1 ZINC000096172202 KK Annotated Anodyne Cc1cc(Cn2c(C(C)C)c(C(=O)NCc3ccc(F)c(F)c3)c3ccc(OC4CCCC4)cc32)no1 ZINC000096172204 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3ccccn3)cc2n1Cc1ccccn1 ZINC000096172205 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(Oc3cccnc3)cc2n1Cc1ccccn1 ZINC000096172206 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@H]3CCCO3)cc2n1Cc1ccccn1 ZINC000096172225 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@H]3CCNC3)cc2n1Cc1ccccc1 ZINC000096172244 KK Annotated Anodyne CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(O[C@H]3CCOC3)cc2n1Cc1ccccn1 ZINC000096172247 KK Annotated Anodyne COc1ccc(Br)c(COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCCCCCCNC5=O)cc2)c1 ZINC000096172318 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)cc2)CC1 ZINC000096172331 KK Annotated Bother CS(=O)(=O)N1CCN(c2ccc(N)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)cc2)CC1 ZINC000096172332 KK Annotated Anodyne CC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)c(COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)cc2)c1 ZINC000096172333 KK Annotated Anodyne O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)C(=O)NCC/C=C\CCN1 ZINC000096172336 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)cc2)CC1 ZINC000096172337 KK Annotated Anodyne O=C1Cn2c(-c3ccc(OCc4cc(N5CCCC5=O)ccc4N4CCOCC4)cc3)c(C3CCCCC3)c3ccc(cc32)/C(O)=N/S(=O)(=O)C/C=C\CCN1 ZINC000096172338 KK Annotated Anodyne CS(=O)(=O)N1CCN(c2ccc(N3CCCC3=O)cc2COc2ccc(-c3c(C4CCCCC4)c4ccc5cc4n3CC(=O)NCC/C=C\CCNC5=O)c(F)c2)CC1 ZINC000096172339 KK Annotated Anodyne COc1ccc(-c2ccc(Cl)cc2)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C\CCNC6=O)ccc3n2)c1 ZINC000096172340 KK Annotated Anodyne Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C\CCNC6=O)ccc3n2)s1 ZINC000096172341 KK Annotated Anodyne Cc1nc(C)c(-c2ccc3cc(-c4c(C5CCCCC5)c5ccc6cc5n4CC(=O)NCC/C=C\CS(=O)(=O)/N=C/6O)ccc3n2)s1 ZINC000096172342 KK Annotated Anodyne CC1(C)C2=C(CN1C(=O)N[C@@H]1C[C@H]1c1ccccc1)C(Nc1nc(C(F)(F)F)nc3ccsc13)=NC2 ZINC000096172478 KK Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Nc3ccc(N(C)CCN(C)C)nc3)c3nccnc23)c1Cl ZINC000096173399 KK Annotated Anodyne COc1cc(OC)c(Cl)c(-c2ccc(C(=O)Cc3ccc(CN4CCNC(C)(C)C4)nc3)c3nccnc23)c1Cl ZINC000096173417 KK Annotated Anodyne COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4cccc(N5CCN(C6CCCCC6)CC5)n4)cc3)CC(O)=NC1=O)C2 ZINC000096173573 KK Annotated Mild COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(-c4nc(-c5cnn(C)c5)ccc4OC(=O)C(C)(C)C)c(F)c3)CC(O)=NC1=O)C2 ZINC000096173584 KK Annotated Mild CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1 ZINC000096173928 KK Annotated Clean CC(C)[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1 ZINC000096173929 KK Annotated Clean CCCC[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccccc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1 ZINC000096173930 KK Annotated Clean CCCC[C@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)c1ccncc1)C(C)(C)C)C(=O)C(=O)CC1CCCCC1 ZINC000096173931 KK Annotated Clean Cc1cc(C(=O)Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc(C(F)(F)F)c1 ZINC000096173960 KK Annotated Anodyne O=C(Cc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(-c2ccccc2)cc1 ZINC000096173991 KK Annotated Anodyne OC1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174010 KK Annotated Anodyne CCN(CC)C(=O)[C@@H]1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 ZINC000096174011 KK Annotated Anodyne CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)C1 ZINC000096174012 KK Annotated Anodyne Cc1ccc(CN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174024 KK Annotated Anodyne c1ccc(CCN2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174027 KK Annotated Anodyne COc1ccc(S(=O)(=O)CCCc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)cc1 ZINC000096174042 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1cccc(Cl)c1 ZINC000096174049 KK Annotated Anodyne O=S(=O)(NCc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1)c1ccc(Cl)cc1 ZINC000096174052 KK Annotated Anodyne Cc1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174069 KK Annotated Anodyne [C-]#[N+]c1ccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)cc1 ZINC000096174072 KK Annotated Anodyne O=C(c1ccccc1F)N1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174074 KK Annotated Anodyne O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccccc1F ZINC000096174080 KK Annotated Anodyne O=S(=O)(CC1CCCCC1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174081 KK Annotated Anodyne COc1cccc(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174083 KK Annotated Anodyne O=S(=O)(Cc1ccccc1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174085 KK Annotated Anodyne Cc1nc(C)c(S(=O)(=O)NC2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)s1 ZINC000096174086 KK Annotated Anodyne O=S(=O)(NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1cccc(F)c1 ZINC000096174090 KK Annotated Anodyne [C-]#[N+]c1cccc(C(=O)N2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)c1 ZINC000096174092 KK Annotated Anodyne [C-]#[N+]C1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174096 KK Annotated Reactive O=C(NCCc1cccs1)NC1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174114 KK Annotated Anodyne c1ccc(O[C@@H]2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174121 KK Annotated Anodyne c1ccc(O[C@H]2CCCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)C2)cc1 ZINC000096174122 KK Annotated Anodyne O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1 ZINC000096174129 KK Annotated Anodyne O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccc(F)cc1 ZINC000096174132 KK Annotated Anodyne Cc1ccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)cc1 ZINC000096174133 KK Annotated Anodyne Cc1cccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)c1 ZINC000096174134 KK Annotated Anodyne O=C(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccc(F)cc1 ZINC000096174135 KK Annotated Anodyne Fc1ccc2c(CCNCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)c[nH]c2c1 ZINC000096174137 KK Annotated Anodyne Clc1ccc2nc(CCNCc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)[nH]c2c1 ZINC000096174138 KK Annotated Anodyne O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1cccc(F)c1 ZINC000096174139 KK Annotated Anodyne CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 ZINC000096174145 KK Annotated Anodyne O=C(NC1(c2ccc(-c3nnc4n3-c3ccc(Cl)nc3Nc3ccccc3-4)cc2)CCC1)C(F)(F)F ZINC000096174161 KK Annotated Anodyne CNC(=O)c1c2cc(C3CC3)c(N(CCCN3CCCCC3)S(C)(=O)=O)cc2nn1-c1ccc(Oc2ccc(F)cc2)cc1 ZINC000096174169 KK Annotated Anodyne COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C5CC5)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174201 KK Annotated Anodyne COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174202 KK Annotated Anodyne COC[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccnc(C(F)(F)F)c4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174203 KK Annotated Anodyne CCNc1cnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@@](OC)(C(=O)Nc5ccc6[nH]nc(-c7ccc(F)cc7)c6c5)C4)CC3)c(F)c2)o1 ZINC000096174205 KK Annotated Anodyne CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3)CC2)C1 ZINC000096174206 KK Annotated Anodyne CO[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncccn4)cc3F)CC2)C1 ZINC000096174207 KK Annotated Anodyne C[C@H]1CN(C(=O)N(C[C@@H]2CNC[C@@H]2F)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2ccccc2)C(C)(C)C)C[C@@H](C)O1 ZINC000096174212 KK Annotated Anodyne C[C@H]1CN(C(=O)N(C[C@@H]2CNC[C@@H]2F)[C@@H](c2nc(-c3cc(F)ccc3F)nn2Cc2cccc(F)c2)C(C)(C)C)C[C@@H](C)O1 ZINC000096174213 KK Annotated Anodyne CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@@H]1CCCO1 ZINC000096174215 KK Annotated Anodyne CC(C)(C)[C@H](c1nc(-c2cc(F)ccc2F)nn1Cc1cccc(F)c1)N(C[C@@H]1CNC[C@@H]1F)C(=O)[C@H]1CCCO1 ZINC000096174216 KK Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2nc(C(C)(C)C)[nH]c2-c2cc(NS(=O)(=O)C(C)C)cc(OC(F)F)c2)n1 ZINC000096174527 KK Annotated Anodyne CC(C)(C)c1nc(-c2cc(Cl)cc(CS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)[nH]1 ZINC000096174569 KK Annotated Anodyne CC(C)(C)c1nc(-c2cccc(CS(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(N)n2)[nH]1 ZINC000096174575 KK Annotated Anodyne CC(C)(C)c1nc(-c2cc(F)cc(CS(=O)(=O)c3c(F)cccc3F)c2Cl)c(-c2ccnc(N)n2)[nH]1 ZINC000096174580 KK Annotated Anodyne COC(=O)N[C@@H](C)CCc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000096174608 KK Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CCNCC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175742 KK Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5=CCN(C(C)C)CC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175744 KK Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5CCN(C)CC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175747 KK Annotated Anodyne CCN1CCC(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175748 KK Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(C5CCN(C(C)C)CC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175749 KK Annotated Anodyne COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(CC5CCN(C(C)C)CC5)nc34)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O ZINC000096175766 KK Annotated Anodyne COCCN1CCN(c2ccc3ncnc(Sc4cc(C(=O)Nc5cc(C(C)(C)C)cc(NS(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175775 KK Annotated Anodyne Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncnc2ccc(N3CCOCC3)nc12 ZINC000096175776 KK Annotated Mild Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncnc2ccc(N3CCN(C)CC3)nc12 ZINC000096175777 KK Annotated Mild COCCN1CCN(c2ccc3ncnc(Nc4cc(CC(=O)c5cccc(C(C)(C)C#N)c5)ccc4C)c3n2)CC1 ZINC000096175778 KK Annotated Mild Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncnc2ccc(N3CC[C@H](F)C3)nc12 ZINC000096175779 KK Annotated Mild Cc1ccc(CC(=O)c2cccc(C(C)(C)C#N)c2)cc1Nc1ncnc2ccc(N[C@H]3CCOC3)nc12 ZINC000096175780 KK Annotated Mild CC(C)N1CCC[C@@H](COc2ccnc3ccc(C#CCNC(=O)c4cccn(Cc5ccc(F)c(F)c5)c4=O)cc23)C1 ZINC000096176253 KK Annotated Mild CN(Cc1cccc2ncccc12)c1ncnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176303 KK Annotated Mild CN(c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12)C1CCCCC1 ZINC000096176349 KK Annotated Mild N#Cc1cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc2c1NCC1CCCCC1 ZINC000096176351 KK Annotated Mild CN(CC1CCCCC1)c1c(C#N)cnc2ccc(C#CCNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12 ZINC000096176353 KK Annotated Mild CCCCC(CCCC)[C@H]1C(C(=O)c2ccc(CO)cc2)=C(O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000096176367 KK Annotated Mild O=C(C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1C1CCCCC1)c1ccc(Br)cc1 ZINC000096176376 KK Annotated Mild O=C(C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1C1CCCCC1)c1ccc(OC(F)(F)F)cc1 ZINC000096176386 KK Annotated Mild COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176472 KK Annotated Mild COC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176473 KK Annotated Mild COc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccc(Br)cc2OC)cc1 ZINC000096176490 KK Annotated Mild CN(C)CCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176494 KK Annotated Mild C[S@@](=O)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176503 KK Annotated Mild CNC(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176505 KK Annotated Mild CN(C)C(=O)COc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176506 KK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC[S@@](C)=O ZINC000096176524 KK Annotated Mild COCCOCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176525 KK Annotated Mild COC(=O)COCc1ncccc1[C@H]1C(C(=O)C(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176538 KK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC1=NN=NC1 ZINC000096176571 KK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176656 KK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)no1 ZINC000096176671 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000096176674 KK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC(F)(F)F ZINC000096176682 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000096176686 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)s1 ZINC000096176690 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)on1 ZINC000096176696 KK Annotated Mild COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176716 KK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176727 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3OC(F)(F)F)cc2)cs1 ZINC000096176730 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000096176755 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000096176757 KK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000096176778 KK Annotated Mild CC(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000096176793 KK Annotated Mild COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(SC(F)(F)F)cc1 ZINC000096176797 KK Annotated Mild COCCOc1ncccc1[C@@H]1C(C(=O)CC(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176814 KK Annotated Mild CN(C)C(=O)c1ccccc1[C@H]1C(C(=O)CC(C)(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176817 KK Annotated Mild CCOC(=O)C(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000096176821 KK Annotated Mild COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176841 KK Annotated Mild CCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176845 KK Annotated Mild COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176847 KK Annotated Mild COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176848 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3OCC3OCCO3)cc2)cs1 ZINC000096176851 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000096176855 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000096176856 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)o1 ZINC000096176857 KK Annotated Mild CN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176865 KK Annotated Mild COCCOc1ncccc1[C@H]1C(C(=O)C2CCCC2)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176868 KK Annotated Mild Cc1nc(-c2ccc(N3C(=O)C(O)=C(C(=O)C4CCCC4)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000096176870 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000096176877 KK Annotated Mild CCNC(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176881 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)N(C)C)cc2)o1 ZINC000096176888 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000096176889 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000096176897 KK Annotated Mild COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176898 KK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC1OCCO1 ZINC000096176902 KK Annotated Mild COC(=O)C(C)(C)CC(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OC ZINC000096176907 KK Annotated Mild COCCOc1ccccc1[C@H]1C(S(=O)(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176914 KK Annotated Anodyne COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176920 KK Annotated Mild COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000096176922 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N(C)C)cc2)s1 ZINC000096176925 KK Annotated Mild CCN(C)C(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176926 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000096176929 KK Annotated Mild Cc1ccc(-c2ccc(N3C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000096176930 KK Annotated Mild COCCNC(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176932 KK Annotated Mild COCCN(C)C(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000096176933 KK Annotated Mild COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 ZINC000096176937 KK Annotated Mild CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCC1CCOCC1 ZINC000096176941 KK Annotated Mild Cc1cc(-c2ccc(N3C(=O)C(O)=C(C(=O)C(C)C)[C@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000096176949 KK Annotated Mild COC(=O)COc1ccccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176968 KK Annotated Anodyne COC(=O)COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2cccs2)cc1 ZINC000096176969 KK Annotated Anodyne CN(C)CCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096176979 KK Annotated Anodyne C[S@@](=O)CCOc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177084 KK Annotated Anodyne CC(C)c1n[nH]c2c1[C@H](c1ccccc1OCC[S@@](C)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177088 KK Annotated Anodyne COC(=O)COCc1ncccc1[C@@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177136 KK Annotated Anodyne COCCOc1ccccc1[C@@H]1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177138 KK Annotated Anodyne CN(C)C(=O)COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177174 KK Annotated Anodyne CNC(=O)COc1ccccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177175 KK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCCCS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177179 KK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C(=O)N(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177180 KK Annotated Anodyne CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1OCc1nnn[nH]1)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177182 KK Annotated Anodyne CC(=O)NCCOc1ccccc1[C@H]1c2c(C(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177184 KK Annotated Anodyne COc1ccc(C2(c3n[nH]c4c3[C@H](c3ccccc3OC)N(c3ccc(-c5ccon5)cc3)C4=O)CC2)cc1 ZINC000096177206 KK Annotated Anodyne COc1ccccc1[C@H]1c2c(C(C)(C)C)nn(C(=O)OC(C)(C)C)c2C(=O)N1c1ccc(Br)cc1 ZINC000096177218 KK Annotated Anodyne CC(C)c1n[nH]c2c1[C@@H](c1ccccc1OCCS(C)(=O)=O)N(c1ccc(-c3ccsc3)cc1)C2=O ZINC000096177252 KK Annotated Anodyne COCCOCc1ncccc1[C@H]1c2c(C(C)(C)C)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177284 KK Annotated Anodyne Cc1ccc(CC(=O)c2ccc(CS(=O)(=O)c3ccc(Cl)nc3)cc2)cc1Cc1nccc(-c2cccnc2)n1 ZINC000096177463 KK Annotated Anodyne COc1cc(F)c(-c2cccc(C(=O)Cc3cnccc3[C@@H]3C[C@H](C(F)(F)F)C[C@H](N)C3)n2)c(F)c1 ZINC000096177756 KK Annotated Anodyne Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1C[C@H](C(F)(F)F)C[C@H](N)C1 ZINC000096177757 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cc(C(F)(F)F)ccc3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177773 KK Annotated Anodyne C[C@H]1C[C@@H](c2ccncc2CC(=O)c2ccc(F)c(-c3cccc(C(F)(F)F)c3F)n2)C[C@@H](N)[C@@H]1O ZINC000096177774 KK Annotated Anodyne CC(=O)N1CCC(C(=O)N2CC[C@@H](N(C)C(=O)Nc3ccc(Cl)cc3)[C@H](c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000096177820 KK Annotated Anodyne O=C(CC1(C(=O)C[C@H]2CCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000096178026 KK Annotated Anodyne O=C(CC1(C(=O)C[C@@H]2CCc3cc(-c4cc(Cl)cc(Cl)c4OCC(F)F)ccc32)CC1)C(F)(F)F ZINC000096178027 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(-c2ccc(OC(C)C)cc2)c2ncnn12 ZINC000096178227 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@@H]2CCOC(C)(C)C2)c2nc(C)nn12 ZINC000096178255 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n([C@H]2CCOC(C)(C)C2)c2nc(C)nn12 ZINC000096178256 KK Annotated Anodyne C=CCOC1CCC(n2c(=O)c(Cc3ccc(-c4ccccc4-c4noc(=O)[nH]4)cc3)c(CCC)n3ncnc23)CC1 ZINC000096178269 KK Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC3(CC2)OCC(C)(C)O3)c2ncnn12 ZINC000096178282 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(=NOC(C)C)CC2)c2ncnn12 ZINC000096178292 KK Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(=NOC3CCOCC3)CC2)c2ncnn12 ZINC000096178293 KK Annotated Mild CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC3(O)CC3)CC2)c2ccnn12 ZINC000096178380 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(O)n3)cc2)c(=O)n(C2CCC(OC[C@@H](O)C(F)(F)F)CC2)c2ccnn12 ZINC000096178381 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(O)n3)cc2)c(=O)n(C2CCC(OC[C@H](O)C(F)(F)F)CC2)c2ccnn12 ZINC000096178382 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2ccnn12 ZINC000096178384 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCC(OC[C@H](C)O)CC2)c2ccnn12 ZINC000096178387 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCC(OC[C@@H](C)O)CC2)c2ccnn12 ZINC000096178388 KK Annotated Anodyne CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC(OCC(C)(C)O)CC2)c2c(F)cnn12 ZINC000096178389 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000096178904 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@@H](Cc3cccnc3)C(=O)N[C@@H](CC3CCCCC3)[C@@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000096178905 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000096178906 KK Annotated Anodyne CC(C)Cc1nc(-c2ccccc2)cn2c([C@H](Cc3cccnc3)C(=O)N[C@H](CC3CCCCC3)[C@@H](N)CC(=O)N[C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000096178907 KK Annotated Anodyne CNC(=O)[C@H](Cc1ccc2c(c1)COC(C)(C)O2)Nc1nc(NCC(C)C)nc(-n2cnc3cc(C(=O)N4CCCc5ccccc54)ccc32)n1 ZINC000096179270 KK Annotated Anodyne O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)[C@H](O)CN(CCc1ccc2c(c1)OCO2)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000096179277 KK Annotated Anodyne O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)[C@@H](O)CN(CCc1ccc2c(c1)OCO2)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000096179278 KK Annotated Anodyne O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)[C@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000096179279 KK Annotated Anodyne O=C(CCn1c(=O)oc2ccccc21)N[C@@H](c1ccccc1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O ZINC000096179280 KK Annotated Anodyne Cc1ccc(CCN(C[C@H](O)[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000096179291 KK Annotated Anodyne Cc1ccc(CCN(C[C@@H](O)[C@@H](NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c2ccccc2)C(=O)CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000096179292 KK Annotated Anodyne CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O ZINC000096243197 KK Annotated Reactive CCCN(Cc1nc(O)n[nH]1)[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 ZINC000096248110 KK Annotated Anodyne O=C(Nc1nc2ccc(CO)cc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258262 KK Annotated Anodyne O=C(Nc1nc2cc(Cl)ccc2o1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258273 KK Annotated Anodyne O=C(Nc1nc2ccccc2n1Cc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1 ZINC000096258275 KK Annotated Anodyne CC(C)(C)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)[C@@H](Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1 ZINC000096258543 KK Annotated Anodyne CC(C)(C)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)[C@H](Cc2ccc(NC(=O)C(=O)O)cc2)c2nc3ccccc3o2)cc1 ZINC000096258544 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000096258545 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000096258546 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258549 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000096258550 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000096258551 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000096258552 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 ZINC000096258553 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1 ZINC000096258563 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccccc2C(F)(F)F)Cc2ccccc2C(F)(F)F)cc1 ZINC000096258564 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000096258566 KK Annotated Anodyne O=C(O)C(=O)Nc1ccc(C[C@@H](c2nc3ccccc3o2)S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccc(F)cc2)cc1 ZINC000096258567 KK Annotated Anodyne O=C1/C(=C/c2cccc3ccccc23)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1cccc2ccccc12 ZINC000096269745 KK Annotated Mild O=C1/C(=C/c2ccc(F)cc2)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1ccc(F)cc1 ZINC000096269746 KK Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1ccc(Cl)cc1 ZINC000096269747 KK Annotated Mild Cc1ccc(/C=C2\CN(C(=O)[C@H]3C[C@H]4CCCN4[C@]34C(=O)Nc3cc(Cl)ccc34)C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000096269748 KK Annotated Mild O=C1/C(=C/c2ccc(Cl)cc2Cl)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1ccc(Cl)cc1Cl ZINC000096269749 KK Annotated Mild O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000096269750 KK Annotated Mild O=C1/C(=C/c2ccccc2F)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1ccccc1F ZINC000096269751 KK Annotated Mild O=C1/C(=C/c2ccccc2Cl)CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C1=C\c1ccccc1Cl ZINC000096269752 KK Annotated Mild COc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C(=C\c2ccccc2OC)C1=O ZINC000096269753 KK Annotated Mild Cc1ccccc1/C=C1\CN(C(=O)[C@H]2C[C@H]3CCCN3[C@]23C(=O)Nc2cc(Cl)ccc23)C/C(=C\c2ccccc2C)C1=O ZINC000096269754 KK Annotated Mild CCCc1scc(-c2cn[nH]c2)c1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[nH]1 ZINC000096269756 KK Annotated Anodyne CCCc1scc(-c2cn[nH]c2)c1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[nH]1 ZINC000096269757 KK Annotated Anodyne O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CCCN3CCCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096269783 KK Annotated Anodyne O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CCCN3CCCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2 ZINC000096269784 KK Annotated Anodyne CCN(CC)CCCc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269785 KK Annotated Anodyne CCN(CC)CCCCc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269786 KK Annotated Anodyne C[C@@H](c1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CCN(C)C ZINC000096269789 KK Annotated Anodyne C[C@H](c1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)N(C)CCN(C)C ZINC000096269790 KK Annotated Anodyne CN(C)CCCN(C)Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269795 KK Annotated Anodyne CN(CCN1CCCC1)Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269796 KK Annotated Anodyne CN(CCN1CCCCC1)Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269797 KK Annotated Anodyne CN(C)CCN(C)Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269798 KK Annotated Anodyne CCN(CC)CCN(C)Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 ZINC000096269799 KK Annotated Anodyne Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 ZINC000096269886 KK Annotated Anodyne Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc([C@@H]2COc3cc4c(cc3O2)OC[C@H]4CC(=O)O)c1 ZINC000096269887 KK Annotated Anodyne CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1 ZINC000096269937 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)CC[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270302 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270303 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@@]3(CC4)C[C@@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270306 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270307 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)CC[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270312 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2[C@H]2CCCC2(C)C)c1 ZINC000096270315 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 ZINC000096270317 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1 ZINC000096270318 KK Annotated Anodyne COc1cc(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c(F)cn1 ZINC000096270319 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270321 KK Annotated Anodyne COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CC4)C[C@H]3C(=O)O)cc2C2=CCCC2(C)C)c1 ZINC000096270322 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCNC(=O)C1 ZINC000096270376 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000096270378 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNC(C)=O)CC1 ZINC000096270379 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNS(C)(=O)=O)CC1 ZINC000096270380 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCO)CC1 ZINC000096270382 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(C)=O)CC1 ZINC000096270383 KK Annotated Anodyne CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCNCC1 ZINC000096270384 KK Annotated Anodyne N#Cc1ccc(-c2cc3c(o2)C(=O)N(Cc2ccccc2-c2cncnc2)c2ccc(C4CCNCC4)cc2C3(F)F)cc1 ZINC000096270542 KK Annotated Mild N#Cc1ccc(-c2cc3c(o2)C(=O)N(Cc2ccccc2-c2cncnc2)c2ccc(C4CCNCC4)cc2C3)cc1 ZINC000096270543 KK Annotated Mild CC(C)COCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096270787 KK Annotated Clean CCCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096270788 KK Annotated Clean Oc1cc(Cc2cc(Br)c(O)c(Br)c2Br)c(Br)c(Br)c1O ZINC000096270789 KK Annotated Clean O=C(N[C@H]1CCC[C@H](CO)C1)C1CCN(c2nc3cc(Cl)c(-c4ccc(OC(F)(F)F)cc4)cc3o2)CC1 ZINC000096271073 KK Annotated Anodyne Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H](NC(=O)CCc2ccccc2)c2ccccc2)c1Cl ZINC000096271221 KK Annotated Anodyne C/C(=C\Cn1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272092 KK Annotated Anodyne C/C(=C\Cn1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272093 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)[C@@]1(C)CCc2c(C)c(OCC(=O)O)c(C)c(C)c2O1 ZINC000096272096 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)[C@]1(C)CCc2c(C)c(OCC(=O)O)c(C)c(C)c2O1 ZINC000096272097 KK Annotated Anodyne C/C(=C\COc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)O)O2)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272102 KK Annotated Anodyne C/C(=C\COc1c(C)c(C)c2c(c1C)CC[C@@](C)(C(=O)O)O2)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000096272103 KK Annotated Anodyne CCN(CCO)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1 ZINC000096272639 KK Annotated Anodyne CN1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272727 KK Annotated Mild CN1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272728 KK Annotated Mild CN1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272729 KK Annotated Mild CN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272730 KK Annotated Mild CN1C/C(=C\c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272731 KK Annotated Mild CN1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[C@]2(C1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272732 KK Annotated Mild CN1C/C(=C\c2cccc(F)c2)C(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272733 KK Annotated Mild CN1C/C(=C\c2ccccc2Br)C(=O)[C@]2(C1)[C@@H](c1ccccc1Br)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272734 KK Annotated Mild CN1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@@H](c1ccccc1F)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272735 KK Annotated Mild Cc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272736 KK Annotated Mild CN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[C@]2(C1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272738 KK Annotated Mild CN1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Br)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272739 KK Annotated Mild CN1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(F)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272740 KK Annotated Mild COc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2CSCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000096272741 KK Annotated Mild Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CSCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000096272742 KK Annotated Mild CN1C/C(=C\c2ccc(Cl)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272743 KK Annotated Mild CN1C/C(=C\c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272744 KK Annotated Mild CN1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272745 KK Annotated Mild CN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272746 KK Annotated Mild CN1C/C(=C\c2cccc(Cl)c2Cl)C(=O)[C@]2(C1)[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272747 KK Annotated Mild CN1C/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)[C@]2(C1)[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272748 KK Annotated Mild CN1C/C(=C\c2cccc(F)c2)C(=O)[C@]2(C1)[C@@H](c1cccc(F)c1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272749 KK Annotated Mild CN1C/C(=C\c2ccccc2Br)C(=O)[C@]2(C1)[C@@H](c1ccccc1Br)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272750 KK Annotated Mild CN1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@@H](c1ccccc1F)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272751 KK Annotated Mild COc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1OC)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272752 KK Annotated Mild Cc1ccccc1/C=C1\CN(C)C[C@@]2(C1=O)[C@@H](c1ccccc1C)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272753 KK Annotated Mild CN1C/C(=C\c2ccccc2Cl)C(=O)[C@]2(C1)[C@@H](c1ccccc1Cl)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272754 KK Annotated Mild CN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)[C@]2(C1)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272755 KK Annotated Mild CN1C/C(=C\c2ccc(Br)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(Br)cc1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272756 KK Annotated Mild CN1C/C(=C\c2ccc(F)cc2)C(=O)[C@]2(C1)[C@@H](c1ccc(F)cc1)[C@@H]1CCCCN1[C@@]21C(=O)c2cccc3cccc1c23 ZINC000096272757 KK Annotated Mild COc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2CCCCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000096272758 KK Annotated Mild Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@@H]2CCCCN2[C@@]32C(=O)c3cccc4cccc2c34)cc1 ZINC000096272759 KK Annotated Mild CCN(CC)C(=O)[C@@H](c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 ZINC000096272895 KK Annotated Anodyne CCN(CC)C(=O)[C@H](c1ccccc1)C1CCN(c2ccc(NC(=O)Nc3c(C)noc3C)cc2F)CC1 ZINC000096272896 KK Annotated Anodyne CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cn2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F ZINC000096273110 KK Annotated Mild O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc(Br)c(Cl)c3)ccc2c1Cl ZINC000096273167 KK Annotated Anodyne O=C(O)c1sc2cc(-n3c(S)nnc3-c3ccc(Cl)c(Br)c3)ccc2c1Cl ZINC000096273205 KK Annotated Anodyne COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)c(-c2cccc(C(=O)O)c2)cc1O ZINC000096273301 KK Annotated Anodyne CCc1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(cc(N4CCCC4)c3=O)C(=O)N1)CC1(CCC1)O2 ZINC000096273401 KK Annotated Anodyne CCCCCCCCCCCCCCCCN1C(=O)c2cccc3c(NCCNCCN(C)C)ccc(c23)C1=O ZINC000096273414 KK Annotated Mild C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O ZINC000096273419 KK Annotated Anodyne CCN(CC)c1ncc(N(CC)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273513 KK Annotated Anodyne CCN(CC)c1ncc(N(CC)C(=O)Nc2ccccc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273516 KK Annotated Anodyne CCN(CC)c1ncc(N(CC)c2ccc(F)cc2)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1 ZINC000096273526 KK Annotated Anodyne CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O ZINC000096274157 KK Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nc2cccc(Br)n2c1-c1ccc(F)cc1 ZINC000096282437 KK Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C#N)c2n1-c1ccc(F)cc1 ZINC000096282440 KK Annotated Mild CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(C(F)(F)F)c2n1-c1ccc(F)cc1 ZINC000096282441 KK Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Cl)c2n1-c1ccc(F)cc1 ZINC000096282442 KK Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Br)c2n1-c1ccc(F)cc1 ZINC000096282443 KK Annotated Anodyne Cc1csc2cc(C(=O)N(CCN(C)C)Cc3ccc(Cl)c(Cl)c3)n(-c3ccc(F)cc3)c12 ZINC000096282444 KK Annotated Anodyne CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1C ZINC000096282448 KK Annotated Anodyne CN(C)CCCn1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc(F)cc2)c2cscc2c1=O ZINC000096282449 KK Annotated Anodyne CN(C)CCn1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc(F)cc2)c2cscc2c1=O ZINC000096282450 KK Annotated Anodyne CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)c2cscc2c(=O)n1CCO ZINC000096282451 KK Annotated Anodyne S=C1NC2=C(CN(CCN3CCOCC3)C/C2=C\c2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282902 KK Annotated Anodyne S=C1NC2=C(CN(CCN3CCOCC3)C/C2=C\c2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2Cl)N1 ZINC000096282903 KK Annotated Anodyne CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283835 KK Annotated Anodyne C[C@@H](CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283841 KK Annotated Anodyne C[C@H](CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 ZINC000096283842 KK Annotated Anodyne c1cc2nc3c4ccc5cc6cc(ccc6nc53)CNCCNCCNCc3ccc5nc6c(ccc7cc8cc(ccc8nc76)CNCCNCCNCc1cc2c4)cc5c3 ZINC000096284093 KK Annotated Bother COc1cc(C)c(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)cc1O ZINC000096284095 KK Annotated Bother CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1 ZINC000096284234 KK Annotated Anodyne CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2c(-c3ccc(F)c(Cl)c3)ncn2c1 ZINC000096284235 KK Annotated Anodyne CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@@H]5CCCN5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284379 KK Annotated Anodyne CCN1Cc2ccc(NC(=O)c3ccc(C(=O)N4CCC([C@H]5CCCN5)CC4)cc3Nc3ccccc3)cc2C1 ZINC000096284380 KK Annotated Anodyne CCOc1cc([C@H](Nc2ccc3cnccc3c2)/C(O)=N/S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(C)C ZINC000096284567 KK Annotated Mild CCOc1cc([C@@H](Nc2ccc3cnccc3c2)/C(O)=N/S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1OC(C)C ZINC000096284568 KK Annotated Mild Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCN(Cc2ccccc2)C3)cc2cn[nH]c12 ZINC000096284739 KK Annotated Anodyne Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCN(Cc2ccccc2)C3)cc2cn[nH]c12 ZINC000096284740 KK Annotated Anodyne Cc1cc(C[C@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCN(C2CCCCC2)C3)cc2cn[nH]c12 ZINC000096284741 KK Annotated Anodyne Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)c2ncc3n2CCN(C2CCCCC2)C3)cc2cn[nH]c12 ZINC000096284742 KK Annotated Anodyne O=S(=O)(NCc1c(-c2ccccc2F)ccnc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096285076 KK Annotated Mild N#C[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccco1)Cc1cnccc1-c1ccccc1F ZINC000096285080 KK Annotated Mild N#C[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccco1)Cc1cnccc1-c1ccccc1F ZINC000096285081 KK Annotated Mild Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccccc54)CC3)CC2)ccn1 ZINC000096285180 KK Annotated Anodyne Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4c5ccccc5Sc5ccc(C(F)(F)F)cc54)CC3)CC2)ccn1 ZINC000096285183 KK Annotated Anodyne C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)n1c(=O)n(C2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c2ccccc21 ZINC000096285297 KK Annotated Anodyne C[C@H](c1ccc(-c2ccc(F)cc2)cc1)n1c(=O)n(C2CCN(C(=O)C3CCN(Cc4ccnc(N)c4)CC3)CC2)c2ccccc21 ZINC000096285298 KK Annotated Anodyne Cc1cc(C)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285375 KK Annotated Anodyne Cc1cc(C)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285376 KK Annotated Anodyne Cc1cc(C)cc([C@@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285377 KK Annotated Anodyne Cc1cc(C)cc([C@H]2CN(C3CCCCC3)C(=O)N2C2CCN([C@H](C)CCNC(=O)c3c(C)ncnc3C)CC2)c1 ZINC000096285378 KK Annotated Anodyne Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285385 KK Annotated Anodyne Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@H]2c2ccsc2)CC1 ZINC000096285386 KK Annotated Anodyne Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285387 KK Annotated Anodyne Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCCCC3)C[C@@H]2c2ccsc2)CC1 ZINC000096285388 KK Annotated Anodyne CCN(CC)c1ccc(CN2CCC(c3ccc(OC(C)C)c(NC(=O)c4cnccn4)c3)CC2)cc1 ZINC000096285574 KK Annotated Clean O=C(O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1)c1ccc(F)cc1C(F)(F)F ZINC000096285657 KK Annotated Mild COc1cccc([C@H]2O[C@H](CC(=O)O)c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1OC(F)(F)F ZINC000096285783 KK Annotated Anodyne COc1cccc([C@H]2O[C@H](CCn3cc(C(=O)O)cn3)c3nnc(C(F)(F)F)n3-c3ccc(Cl)cc32)c1OC ZINC000096285785 KK Annotated Anodyne NC(=O)[C@@H]1CCCN1c1nc(Nc2ncc(Cc3ccccc3)s2)cc(C(F)(F)c2ccc(F)cc2)n1 ZINC000096285819 KK Annotated Anodyne Cc1ccc(C2=C(C(=O)Nc3ccno3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 ZINC000096285843 KK Annotated Anodyne Cc1ccc(C2=C(C(=O)Nc3ccc(-c4nnn[nH]4)cc3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 ZINC000096285844 KK Annotated Anodyne COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1 ZINC000096285847 KK Annotated Anodyne COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)NC2=O)cc1 ZINC000096285848 KK Annotated Anodyne Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096286261 KK Annotated Mild Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN3C(=O)CC[C@@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096286263 KK Annotated Mild Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096286265 KK Annotated Mild O=C(Nc1ccc(N2CCCN(C(=O)Nc3ccccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F ZINC000096286501 KK Annotated Anodyne O=C(Nc1ccc(N2CCN(C(=O)Nc3ccccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F ZINC000096286502 KK Annotated Anodyne O=C(Nc1ccc(N2CCN(C(=O)Oc3ccccc3Cl)CC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F ZINC000096286508 KK Annotated Anodyne O=C(NCc1ccc(-c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 ZINC000096300120 KK Annotated Bother CCO[P@](=O)(F)CCOCCOCCOCCOC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 ZINC000096300915 KK Annotated Reactive CCO[P@@](=O)(F)CCOCCOCCOCCOC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 ZINC000096300916 KK Annotated Reactive COCCCC[C@@](O)(c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](CNCC(F)(F)F)CC2CCCCC2)C1 ZINC000096300941 KK Annotated Anodyne CCC(CC)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302067 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(C(C)(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302072 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc(C#N)c4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302083 KK Annotated Mild CCOc1ccc(Cc2cc(C3CCN(C[C@H]4CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]4c4cccc(F)c4)CC3)n(CC)n2)cc1F ZINC000096302085 KK Annotated Anodyne CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4cccc5ccccc45)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302086 KK Annotated Anodyne CC[C@@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(O)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000096302087 KK Annotated Anodyne CCCCCCCN(CCCCCOC1=NC(S)=NC1(c1ccccc1)c1ccccc1)C(=O)NC(C)C ZINC000096305584 KK Annotated Mild CC(=O)O[C@H]1[C@H](C)O[C@@H](OC[C@@H]2[C@@H](OC(C)=O)C[C@H](O)[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3CC=C3[C@H]4C[C@](C)(C(=O)O)CC[C@]4(C)CC[C@]32C)[C@H](O)[C@@H]1OC(C)=O ZINC000096307602 KK Annotated Anodyne O=C(NCc1cccnc1)[C@H]1CCCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C1 ZINC000096309559 KK Annotated Anodyne CCS(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000096318633 KK Annotated Anodyne CC(C)S(=O)(=O)N1CCN(Cc2ccccc2C2(O)CCN(C(c3ccccc3Cl)c3ccccc3Cl)CC2)CC1 ZINC000096318640 KK Annotated Anodyne CC(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(Nc3ccccc3O)C(=O)N2c2nccs2)cc1 ZINC000096336147 KK Annotated Mild CC(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(Nc3ccccc3O)C(=O)N2c2nccs2)cc1 ZINC000096336148 KK Annotated Mild C=CC(C)(C)c1cc(O)c2c(c1-c1oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c1O)C=CC(C)(C)O2 ZINC000096336392 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)Cc5cc(F)c(F)cc5F)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096887214 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(CCl)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096887217 KK Annotated Reactive CC1=C(CC[C@@H]2[C@@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]32C)[C@@H]2[C@H](C[C@H]1OO)[C@@](C)(O)CCC2(C)C ZINC000096888385 KK Annotated Reactive C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CCN(CCc2c[nH]cn2)C1=O)COS(=O)(=O)O ZINC000096888405 KK Annotated Anodyne CC(C)(C)Oc1ccc(C[C@@H]2N[C@]3(C(=O)N(Cc4ccc(Cl)c(Cl)c4)c4ccccc43)[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]23)cc1 ZINC000096892943 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)[C@]12C[C@]2(CCC=C(C)C)C(=O)O ZINC000096898930 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@H]4CC[C@@]32C)[C@]12C[C@]2(CCC=C(C)C)C(=O)O ZINC000096898933 KK Annotated Anodyne CC(=O)O[C@H]1C[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)[C@]12C[C@]2(CCC=C(C)C)C(=O)O ZINC000096898935 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCC1)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096900144 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1(C)CCCCC1)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096900145 KK Annotated Mild C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)OCC1(CCCCc3cccc4c3CN(C4)C(=O)O2)CCCC1)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096900217 KK Annotated Mild COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000096900226 KK Annotated Anodyne COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(C(F)(F)F)c2)cc1 ZINC000096900230 KK Annotated Anodyne CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc([S@@](=O)Cc4nncn4CCC)cc2)CCCN3CCC)cc1 ZINC000096900265 KK Annotated Anodyne CC(C)=CCC1=C(O)C(C(=O)c2c(-c3cc(CC=C(C)C)c(O)cc3O)oc3c4c(c(O)cc23)OC(C)(C)C=C4)=C[C@@H]2c3c(c4cc(CC=C(C)C)c(O)cc4oc3=O)O[C@H]12 ZINC000096900272 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(CC3=C[C@H]4[C@H](CC3)[C@](C)(OO)CC[C@@H]4C(C)C)C(=O)[C@]1(C(=O)C(C)C)C2=O ZINC000096900293 KK Annotated Reactive COc1cc(C(F)(F)F)ccc1-c1ccc(Cn2cncc2CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc1 ZINC000096900300 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc6ccccc6[nH]5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096900361 KK Annotated Anodyne C/C=C/[C@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]1O[C@@]2(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O2)CC[C@@H]1C ZINC000096900399 KK Annotated Mild C/C=C/[C@@H](O)C/C=C/C[C@H](C)[C@@H](O)CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]1O[C@@]2(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O2)CC[C@@H]1C ZINC000096900400 KK Annotated Mild O=C(c1ccc(F)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(F)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096900413 KK Annotated Anodyne COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@@H]2C1 ZINC000096900415 KK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@H]2C1 ZINC000096900416 KK Annotated Mild COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3CC(=O)C(C(F)(F)F)=C[C@]43C)[C@@H]2C1 ZINC000096900417 KK Annotated Mild C=C/C=C\[C@H](C)[C@@H]1OC(=O)/C=C\C=C\[C@@H](C)[C@@H](O)C[C@H](O)/C=C\[C@H](C)[C@H](O)[C@@H](C)C[C@H](C)CC[C@@H](O)[C@@H]1C ZINC000096900423 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NC(=O)OCC(C)(C)CCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096900452 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Cl)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096900473 KK Annotated Anodyne C=C(COCc1ccc(Br)cc1)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCCCC(N)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000096900502 KK Annotated Mild COc1c2c(cc(O)c1-c1cc(-c3ccc4c(-c5c(O)cc(O)c6c5C[C@@H](C)N[C@@H]6C)c(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc13)C[C@@H](C)N=C2C ZINC000096900515 KK Annotated Clean CC(C)C[C@@H](NC(=O)[C@]12CCC(C)(C)C=C1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CC(C)(C)C(=O)O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=O)O ZINC000096900518 KK Annotated Anodyne CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000096900579 KK Annotated Reactive CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000096900725 KK Annotated Mild CCO/C(O)=C1\C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000096900727 KK Annotated Mild C=C1[C@@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(=O)c3ccccc3)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O ZINC000096900771 KK Annotated Mild CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000096900814 KK Annotated Anodyne COc1cccc([C@H](C)NC(=O)c2ccc(Sc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)c1 ZINC000096900816 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H]4CCc5ccccc54)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096900817 KK Annotated Anodyne CCC1=C(OC(=O)N(CC)CC)N2C(=O)O/C(=N/CCc3c[nH]c4ccccc34)[C@]2(Cc2ccccc2)[C@H]2C1=CC[C@H]1C(=O)N=C(O)[C@H]12 ZINC000096900866 KK Annotated Mild CCSc1nnc(-c2cc(Br)ccc2/N=C/c2c(C)nn(-c3ccccc3)c2O)c(O)n1 ZINC000096901310 KK Annotated Mild CC(=O)Oc1c(OC(C)=O)c(C(=O)O)c2c(OC(C)=O)c(-c3c(C)cc4c(C(C)C)c(OC(C)=O)c(OC(C)=O)c(C(=O)O)c4c3OC(C)=O)c(C)cc2c1C(C)C ZINC000096901505 KK Annotated Anodyne C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCC(C)(C)C/C=C/c1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096901507 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Br)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096901510 KK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@@H](c4ccc(OC)cc4)O[C@H]1/C(=C/c1ccc(OC)cc1)C(=O)[C@@]23C ZINC000096901735 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@H](c4ccc(OC)cc4)O[C@H]1/C(=C/c1ccc(OC)cc1)C(=O)[C@@]23C ZINC000096901736 KK Annotated Mild CC(=O)OC/C1=C/[C@H]2[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C ZINC000096901885 KK Annotated Mild C=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC([C@@H]2C=C(C)C(=O)O2)=C(C)[C@@H]3/C=C(\C)CC[C@@H]2CC[C@]3(COC[C@]4(O[C@H]1CC[C@@]4(C)O)[C@@H]3O)O2 ZINC000096901914 KK Annotated Mild C[C@H]([C@@H](O)[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000096901932 KK Annotated Mild CC(C)=CCC1=C(O)C(C(=O)c2c(-c3cc(CC=C(C)C)c(O)cc3O)oc3c(CC=C(C)C)c(O)c(O)cc23)=C[C@@H]2c3c(c4cc(CC=C(C)C)c(O)cc4oc3=O)O[C@H]12 ZINC000096902045 KK Annotated Mild C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C(C)(C)C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000096902071 KK Annotated Anodyne CC(C)=CCC1=C(O)C(C(=O)c2c(-c3cc4c(cc3O)OC(C)(C)C=C4)oc3c(CC=C(C)C)c(O)c(O)cc23)=C[C@@H]2c3c(c4cc(CC=C(C)C)c(O)cc4oc3=O)O[C@H]12 ZINC000096902177 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc(OC)c(OC)c(OC)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096902197 KK Annotated Anodyne C=C1[C@@H](OC(=O)c2ccccc2)C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C ZINC000096902198 KK Annotated Mild CC(C)(C)c1ccc([C@@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902206 KK Annotated Anodyne CC(C)(C)c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)C[C@@H]2Cc2ccccc2)cc1 ZINC000096902207 KK Annotated Anodyne C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](C)C1=C(C)C(=O)OC1=O)CC ZINC000096902235 KK Annotated Reactive CC[C@H](C)C(=O)Oc1c(OC)c(OC)cc2c1-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@H](C)[C@H](C)C2 ZINC000096902256 KK Annotated Anodyne C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCCC/C=C/c1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096902380 KK Annotated Mild CCCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCC)C[C@H]1OC(=O)CCCC ZINC000096902400 KK Annotated Anodyne C=C(C)[C@H](CC[C@@]1(C)C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@H]1O)OO ZINC000096902418 KK Annotated Reactive C=C(C)[C@@H](CC[C@@]1(C)C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@H]1O)OO ZINC000096902419 KK Annotated Reactive CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@H]3[C@]1(C)CO ZINC000096902425 KK Annotated Anodyne CC(C)C(=O)N[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)[C@H](OC(=O)c5ccccc5)C[C@@]2(C)[C@@H]4C=C[C@@H]3[C@]1(C)CO ZINC000096902426 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000096902437 KK Annotated Anodyne C[C@@H]([C@H]1[C@H](OC(=O)c2ccccc2)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@](C)(CO)[C@@H](NC(=O)c5ccccc5)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C ZINC000096902438 KK Annotated Anodyne C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2OC(c3ccc(C(C)C)cc3)=N[C@H]2CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1 ZINC000096902456 KK Annotated Anodyne COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CCN=C5C2)OCO4)CC[N+]1(C)[O-] ZINC000096902653 KK Annotated Bother F[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1n1c(Cl)nc2cc(Cl)c(Cl)cc21 ZINC000096902832 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cc([N+](=O)[O-])cc([N+](=O)[O-])c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903035 KK Annotated Bother C/C(=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C/C=C(\C)CO)c5O[C@]431)O[C@](C)(CC/C=C(\C)C=O)C=C6)C2=O)C(=O)O ZINC000096903042 KK Annotated Reactive CCO[C@@H]1C[C@@H]2[C@@](C)(C3=C1[C@@](C)(O)OC3=O)[C@@H](OC(=O)C[C@@H](O)CC)C[C@@H]1[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]21C ZINC000096903046 KK Annotated Anodyne CCO[C@@H]1C[C@@H]2[C@@](C)(C3=C1[C@@](C)(O)OC3=O)[C@@H](OC(=O)C[C@H](O)CC)C[C@@H]1[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]21C ZINC000096903047 KK Annotated Anodyne CCO[C@@H]1C[C@@H]2[C@@](C)(C3=C1[C@](C)(O)OC3=O)[C@@H](OC(=O)C[C@@H](O)CC)C[C@@H]1[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]21C ZINC000096903048 KK Annotated Anodyne CCO[C@@H]1C[C@@H]2[C@@](C)(C3=C1[C@](C)(O)OC3=O)[C@@H](OC(=O)C[C@H](O)CC)C[C@@H]1[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]21C ZINC000096903049 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CO)cc1O ZINC000096903055 KK Annotated Anodyne COc1ccc(/C=C/C(=O)N[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@@H]4[C@]2(C)CO)cc1O ZINC000096903056 KK Annotated Anodyne C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)N[C@H](C)CCCCCCc1cccc3c1CN(C3)C(=O)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096903094 KK Annotated Mild C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCCC/C=C/c1cc3c(nccc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096903095 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903102 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OS(=O)(=O)c5ccccc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903110 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(C(F)(F)F)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903121 KK Annotated Anodyne COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCc5ccc(Br)cc5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903124 KK Annotated Anodyne COC(=O)[C@]12CC(=O)/C=C(\C)CC/C=C(\C)C(=O)C[C@@H](C(C)C)C(=O)[C@H]1CC(C)=C1C[C@H](OC(C)=O)[C@](C)(O)[C@H]3CC[C@@](C)(O)[C@H](CC/C(C)=C/[C@@H]12)O3 ZINC000096903125 KK Annotated Anodyne CCc1ccc(C2=N[C@H]3CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@H](/C(C)=C/c4csc(C)n4)C[C@@H]3O2)cc1 ZINC000096903146 KK Annotated Anodyne CCCCCC[C@H](CCCCCCCCCCC(=O)OC)O[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)C[C@H]2O)C[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O ZINC000096903150 KK Annotated Anodyne C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2cccc(Cl)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903245 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccc(Cl)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903246 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccccc2C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903247 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2cccc(C)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903248 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccc(C)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903249 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccccc2OC)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903250 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccc(OC)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903252 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccccc2N)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903253 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2cccc(N)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903254 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccc(N)cc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903255 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)c2ccccc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903256 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2ccccc2Cl)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903275 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@@H](N)c2ccccc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903280 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)c2cc3ccccc3[nH]2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903281 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)OCC(C)C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903282 KK Annotated Mild C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)OCc2ccccc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O ZINC000096903283 KK Annotated Mild Cc1ccc(-n2cc(CN(Cc3cn(-c4ccc(C)c(C)c4)nn3)c3nc4ccccc4s3)nn2)cc1C ZINC000096903300 KK Annotated Anodyne COc1cc(OC)c2c(c1Cl)CC(=O)C/C=C/[C@@H](Sc1ccccc1)[C@H]1O[C@@H]1C[C@@H](C)OC2=O ZINC000096903304 KK Annotated Anodyne C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@@H](c4ccc(OC)c(OC)c4)O[C@H]1/C(=C/c1ccc(OC)c(OC)c1)C(=O)[C@@]23C ZINC000096903380 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@H](c4ccc(OC)c(OC)c4)O[C@H]1/C(=C/c1ccc(OC)c(OC)c1)C(=O)[C@@]23C ZINC000096903381 KK Annotated Mild CCCN(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c1cccnc1)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000096903385 KK Annotated Reactive C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@@H](/C=C/c4ccccc4)O[C@H]1/C(=C/C=C/c1ccccc1)C(=O)[C@@]23C ZINC000096903392 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@H](/C=C/c4ccccc4)O[C@H]1/C(=C/C=C/c1ccccc1)C(=O)[C@@]23C ZINC000096903393 KK Annotated Mild CC[C@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC3=C(C(=O)O[C@]3(C)O)[C@@]12C ZINC000096903441 KK Annotated Anodyne CC[C@@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC3=C(C(=O)O[C@]3(C)O)[C@@]12C ZINC000096903442 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC3=C(C(=O)O[C@@]3(C)O)[C@@]12C ZINC000096903443 KK Annotated Anodyne CC[C@@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C=CC3=C(C(=O)O[C@@]3(C)O)[C@@]12C ZINC000096903444 KK Annotated Anodyne COc1ccc(/C=C2/OC(=O)C([C@@H](O)c3cc(Br)c(OC)c(Br)c3)=C2c2cc(Br)c(O)c(Br)c2)cc1 ZINC000096903517 KK Annotated Anodyne CC(C)=CCC1=C(O)C(Cc2c(-c3cc(CC=C(C)C)c(O)cc3O)oc3c(CC=C(C)C)c(O)c(O)cc23)=C[C@@H]2c3c(c4cc(CC=C(C)C)c(O)cc4oc3=O)O[C@H]12 ZINC000096903531 KK Annotated Clean CN1CCC(=O)[C@]2(C1)[C@@H](c1ccc(Cl)cc1Cl)[C@H](c1ccccc1)N[C@@]21C(=O)Nc2ccccc21 ZINC000096903551 KK Annotated Anodyne COc1cc(/C=C/c2cc(O)c(/C=C/c3cccc(O)c3)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000096903552 KK Annotated Anodyne CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@](C)(C/C=C/C(C)(C)OO)[C@H](O)CC1 ZINC000096903560 KK Annotated Reactive C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](CCCC1=CC(=O)N(CCc2c[nH]cn2)C1)COS(=O)(=O)O ZINC000096903583 KK Annotated Anodyne C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@H](CCCC1=CC(=O)N(CCc2c[nH]cn2)C1)COS(=O)(=O)O ZINC000096903584 KK Annotated Anodyne CC[C@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C(C(C)=O)=C[C@@]12C ZINC000096903610 KK Annotated Mild CC[C@@H](O)CC(=O)O[C@H]1C[C@@H]2[C@@]3(C)CCC[C@](C)(CC)[C@@H]3CC[C@@]2(C)[C@@H]2C[C@@H](O)C(C(C)=O)=C[C@@]12C ZINC000096903611 KK Annotated Mild C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCCCCCc1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096903618 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccccc5Cl)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 ZINC000096903635 KK Annotated Anodyne C[C@H]1CO[C@]2(C)Oc3c(c(O)c(Cc4c(O)c5c(c6c4O[C@@]4(C)OC[C@H](C)[C@H]4C6)O[C@@]4(C)OC[C@H](C)[C@H]4C5)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12 ZINC000096903719 KK Annotated Anodyne CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C(C(C)=O)=C[C@@]3(C)[C@@H](OC(=O)C[C@H](O)C(C)C)C[C@H]21 ZINC000096903761 KK Annotated Mild CC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H]3C[C@@H](O)C(C(C)=O)=C[C@@]3(C)[C@@H](OC(=O)C[C@@H](O)C(C)C)C[C@H]21 ZINC000096903762 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@@H](c4ccc(Cl)cc4)O[C@H]1/C(=C/c1ccc(Cl)cc1)C(=O)[C@@]23C ZINC000096903767 KK Annotated Mild C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]13O[C@H](c4ccc(Cl)cc4)O[C@H]1/C(=C/c1ccc(Cl)cc1)C(=O)[C@@]23C ZINC000096903768 KK Annotated Mild C=C[C@@H]1C[C@]1(N[C@@H]1C[C@@H]2CN1C(=O)[C@H](C1CCCCC1)NCCCC(C)(C)CCCc1cc3c(cc(-c4ccccc4)nc3cc1OC)O2)/C(O)=N/S(=O)(=O)C1CC1 ZINC000096903954 KK Annotated Mild CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2cccc(F)c2)CC1 ZINC000096903986 KK Annotated Anodyne CC[C@@H](c1ccc(O)cc1)[C@H](CCCN[C@H]1C[C@H](O[C@H]2C[C@](O)(C(C)=O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)O[C@@H](C)[C@H]1O)c1ccc(O)cc1 ZINC000096904328 KK Annotated Clean O=C(c1ccc(Cl)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Br)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904390 KK Annotated Anodyne O=C(c1ccc(Br)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Br)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904391 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Cl)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904392 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Br)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904393 KK Annotated Anodyne O=C(c1ccc(F)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(I)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904394 KK Annotated Anodyne Cc1ccc(C(=O)c2cc(F)c(OCc3nnc(COc4c(F)cc(C(=O)c5ccc(F)cc5)cc4Cl)o3)c(Cl)c2)cc1 ZINC000096904395 KK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(Cl)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904396 KK Annotated Anodyne Cc1ccc(C(=O)c2cc(F)c(OCc3nnc(COc4c(F)cc(C(=O)c5ccc(Cl)cc5)cc4Cl)o3)c(Cl)c2)cc1 ZINC000096904397 KK Annotated Anodyne CCN1C[C@]2(C)CC[C@H](OCc3ccccc3)[C@@]34[C@@H]5C[C@@H]6CC[C@](O)([C@@H](C[C@@H]32)[C@@H]14)[C@H]5[C@H]6OCc1ccccc1 ZINC000096904421 KK Annotated Anodyne CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C(C(=O)O[C@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000096904444 KK Annotated Anodyne CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C(C(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)[C@@H]1OC(C)(C)O[C@H]1[C@H]1COC(C)(C)O1 ZINC000096904446 KK Annotated Anodyne CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7CN(CCc8c6[nH]c6ccccc86)C[C@@H]6CCCC[C@@H]67)c(OC)cc5N(C)[C@@H]4[C@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 ZINC000096904481 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=O)[C@]34C[C@@]5(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@]5(C)[C@](O)(O3)C(=O)[C@H]4[C@@H]2C1(C)C ZINC000096904578 KK Annotated Anodyne CC(=O)O[C@@H]1CC[C@@]2(C)C(=O)[C@]34C[C@@]5(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@]5(C)[C@](O)(O3)C(=O)[C@H]4[C@@H]2C1(C)C ZINC000096904580 KK Annotated Anodyne C[C@H]([C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C)[C@H]1CC[C@@H]2[C@H]3C(=CC[C@]12C)[C@@H](C)[C@]1(CCC(=O)O1)[C@@H]1O[C@H]31 ZINC000096904611 KK Annotated Anodyne C[C@H]([C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C)[C@H]1CC[C@H]2[C@H]3C(=CC[C@@]21C)[C@@H](C)[C@]1(CCC(=O)O1)[C@@H]1O[C@H]31 ZINC000096904612 KK Annotated Anodyne C[C@@H]([C@@H]1CC[C@@H]2[C@H]3C(=CC[C@]12C)[C@@H](C)[C@]1(CCC(=O)O1)[C@@H]1O[C@H]31)[C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C ZINC000096904613 KK Annotated Anodyne C[C@@H]([C@@H]1CC[C@H]2[C@H]3C(=CC[C@]12C)[C@@H](C)[C@]1(CCC(=O)O1)[C@@H]1O[C@H]31)[C@H]1C[C@@]2(C)O[C@@](c3cccnc3)(O1)OC2(C)C ZINC000096904614 KK Annotated Anodyne O=C(c1ccc(Cl)cc1)c1cc(F)c(OCc2nnc(COc3c(F)cc(C(=O)c4ccc(I)cc4)cc3Cl)o2)c(Cl)c1 ZINC000096904633 KK Annotated Anodyne Oc1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccc(O)cc21 ZINC000096905079 KK Annotated Bother CC(C)(C)c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1cc(S(=O)(=O)O)ccc41)-c1cc(S(=O)(=O)O)ccc1-3)c1cc(S(=O)(=O)O)ccc21 ZINC000096905098 KK Annotated Bother Oc1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccc(O)cc1-3)c1ccc(O)cc21 ZINC000096905100 KK Annotated Bother Oc1cc2c(cc1O)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21 ZINC000096905101 KK Annotated Clean Oc1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccccc41)-c1ccccc1-3)c1ccccc21 ZINC000096905102 KK Annotated Bother Ic1ccc2[nH]cc(C(c3cccc4ccccc34)c3c[nH]c4ccc(I)cc34)c2c1 ZINC000096905412 KK Annotated Anodyne CN1O[C@H]2OC(=O)O[C@@H]2[C@H]1[C@H]1O[C@H](c2ccccc2)O[C@]1(C)c1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000096905518 KK Annotated Anodyne CN1O[C@H]2OC(=O)O[C@H]2[C@H]1[C@H]1O[C@H](c2ccccc2)O[C@]1(C)c1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000096905519 KK Annotated Anodyne COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5ccc(F)c(C#N)c5)C4)C[C@@H]3C(=O)O)c2c1 ZINC000096905549 KK Annotated Mild COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cccc5C(F)(F)F)C4)C[C@@H]3C(=O)O)c2c1 ZINC000096905561 KK Annotated Anodyne NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2cn[nH]c2c1 ZINC000096905649 KK Annotated Anodyne CC(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000096905650 KK Annotated Anodyne CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 ZINC000096905652 KK Annotated Anodyne COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)S2)c(OC)c1 ZINC000096905746 KK Annotated Clean COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)S2)c(OC)c1 ZINC000096905747 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CC1CCNCC1)C3 ZINC000096906049 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCO)C3 ZINC000096906050 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCO)C3 ZINC000096906051 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCC(=O)O)C3 ZINC000096906052 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCC(=O)O)C3 ZINC000096906053 KK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000096906093 KK Annotated Reactive C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O ZINC000096906094 KK Annotated Reactive CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCC(=O)O)C3 ZINC000096906226 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCC(=O)O)C3 ZINC000096906227 KK Annotated Anodyne COc1ccc(CCN2COc3c(C)c(C)c4c(c3C2)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O4)cc1OC ZINC000096906228 KK Annotated Anodyne COc1ccc(CCN2COc3cc(C)c4c(c3C2)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O4)cc1OC ZINC000096906229 KK Annotated Anodyne COc1ccc(CCN2COc3cc4c(c(C)c3C2)O[C@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)CC4)cc1OC ZINC000096906230 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCc1ccc(O)cc1)C3 ZINC000096906231 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCc1ccc(O)cc1)C3 ZINC000096906232 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(Cc1cccc([N+](=O)[O-])c1)C3 ZINC000096906233 KK Annotated Bother CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(Cc1cccc([N+](=O)[O-])c1)C3 ZINC000096906234 KK Annotated Bother COc1ccc(CCNCc2c(O)c(C)c(C)c3c2CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)cc1OC ZINC000096906235 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c(CNCCc3ccc(O)cc3)c(O)c(C)c(C)c2O1 ZINC000096906236 KK Annotated Clean CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCO)C3 ZINC000096906240 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCO)C3 ZINC000096906241 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCCO)C3 ZINC000096906242 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCCO)C3 ZINC000096906243 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCCCCO)C3 ZINC000096906244 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCCCCO)C3 ZINC000096906245 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCCCCCCO)C3 ZINC000096906246 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCCCCCCO)C3 ZINC000096906247 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCCCCCCCCCCO)C3 ZINC000096906248 KK Annotated Anodyne COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccccc3Cl)S2)c(OC)c1 ZINC000096906249 KK Annotated Clean COc1ccc(NC2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3Cl)S2)c(OC)c1 ZINC000096906250 KK Annotated Clean CN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(CCCc5ccccc5)c4c3c2)cc1 ZINC000096906326 KK Annotated Anodyne CCOC(=O)CCCn1c(=O)nc(-c2ccccc2)c2oc3ccc(-c4ccc(CN(C)C)cc4)cc3c21 ZINC000096906328 KK Annotated Anodyne CN(C)Cc1ccc(-c2ccc3oc4c(-c5ccccc5)nc(=O)n(-c5ccc([N+](=O)[O-])cc5)c4c3c2)cc1 ZINC000096906330 KK Annotated Bother Cc1ccc(-n2c(=O)nc(-c3ccccc3)c3oc4ccc(-c5ccc(CN(C)C)cc5)cc4c32)cc1C#N ZINC000096906331 KK Annotated Mild CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 ZINC000096906446 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)O)cc6c5C(=O)OC)cc4c3C(=O)OCC)cc12 ZINC000096906447 KK Annotated Anodyne O=S(=O)(c1cccc(C(F)(F)F)n1)N1[C@@H]2Cc3n[nH]cc3[C@H]1c1c(-c3ccc(F)cc3)cccc12 ZINC000096906468 KK Annotated Anodyne CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5ccc(Br)cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906663 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5ccc(Br)cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906664 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5ccc(Br)cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906665 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5ccc(Br)cc5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906666 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5cc(Cl)ccc5Cl)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906667 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5cc(Cl)ccc5Cl)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906668 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5cc(Cl)ccc5Cl)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906669 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5cc(Cl)ccc5Cl)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906670 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@H](c5ccc(F)c(Br)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906671 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@H](c5ccc(F)c(Br)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906672 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@]4(C[C@@H](c5ccc(F)c(Br)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906673 KK Annotated Mild CC1=C2[C@H]3OC(=O)[C@@]4(C[C@@H](c5ccc(F)c(Br)c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O ZINC000096906674 KK Annotated Mild COc1ccc([C@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br ZINC000096906679 KK Annotated Mild COc1ccc([C@H]2C[C@]3(ON2c2ccccc2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br ZINC000096906680 KK Annotated Mild COc1ccc([C@@H]2C[C@@]3(ON2c2ccccc2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br ZINC000096906681 KK Annotated Mild COc1ccc([C@@H]2C[C@]3(ON2c2ccccc2)C(=O)O[C@@H]2C4=C(C)C(=O)C=C[C@]4(C)CC[C@H]23)cc1Br ZINC000096906682 KK Annotated Mild COc1c(OC)c(C(=O)O)c2c(OC)c(-c3c(C)cc4c(C(C)C)c(OC)c(OC)c(C(=O)O)c4c3OC)c(C)cc2c1C(C)C ZINC000096906706 KK Annotated Anodyne C[C@@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000096906728 KK Annotated Mild CC(C)(C)OC(=O)N[C@@H](C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21)C(C)(C)C ZINC000096906729 KK Annotated Mild CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000096906730 KK Annotated Mild CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 ZINC000096906731 KK Annotated Mild CCc1ccc(-n2cc(CN(Cc3cn(-c4ccc(CC)cc4)nn3)c3nc4ccccc4s3)nn2)cc1 ZINC000096906744 KK Annotated Anodyne Brc1ccc(-n2cc(CN(Cc3cn(-c4ccc(Br)cc4)nn3)c3nc4ccccc4s3)nn2)cc1 ZINC000096906745 KK Annotated Anodyne c1ccc2c(-n3cc(CN(Cc4cn(-c5cccc6ccccc56)nn4)c4nc5ccccc5s4)nn3)cccc2c1 ZINC000096906747 KK Annotated Anodyne FC(F)(F)Oc1ccc(-n2cc(CN(Cc3cn(-c4ccc(OC(F)(F)F)cc4)nn3)c3nc4ccccc4s3)nn2)cc1 ZINC000096906749 KK Annotated Anodyne CCCCCc1ccc(-n2cc(CN(Cc3cn(-c4ccc(CCCCC)cc4)nn3)c3nc4ccccc4s3)nn2)cc1 ZINC000096906750 KK Annotated Anodyne Cc1cc(C)cc(-n2cc(CN(Cc3cn(-c4cc(C)cc(C)c4)nn3)c3nc4ccccc4s3)nn2)c1 ZINC000096906751 KK Annotated Anodyne Clc1ccc(-n2cc(CN(Cc3cn(-c4ccc(Cl)cc4Cl)nn3)c3nc4ccccc4s3)nn2)c(Cl)c1 ZINC000096906752 KK Annotated Anodyne Fc1ccc(-n2cc(CN(Cc3cn(-c4ccc(F)c(Cl)c4)nn3)c3nc4ccccc4s3)nn2)cc1Cl ZINC000096906753 KK Annotated Anodyne Clc1ccc(-n2cc(CN(Cc3cn(-c4ccc(Cl)cc4)nn3)c3nc4ccccc4s3)nn2)cc1 ZINC000096906754 KK Annotated Anodyne Fc1ccc(-n2cc(CN(Cc3cn(-c4ccc(F)cc4F)nn3)c3nc4ccccc4s3)nn2)c(F)c1 ZINC000096906756 KK Annotated Anodyne Fc1ccc(-n2cc(CN(Cc3cn(-c4ccc(F)cc4Cl)nn3)c3nc4ccccc4s3)nn2)c(Cl)c1 ZINC000096906758 KK Annotated Anodyne Clc1ccccc1-n1cc(CN(Cc2cn(-c3ccccc3Cl)nn2)c2nc3ccccc3s2)nn1 ZINC000096906759 KK Annotated Anodyne Clc1cccc(-n2cc(CN(Cc3cn(-c4cccc(Cl)c4Cl)nn3)c3nc4ccccc4s3)nn2)c1Cl ZINC000096906761 KK Annotated Anodyne Cc1cc(F)ccc1-n1cc(CN(Cc2cn(-c3ccc(F)cc3C)nn2)c2nc3ccccc3s2)nn1 ZINC000096906762 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2[C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(F)cc2)cc1 ZINC000096906771 KK Annotated Anodyne Cc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2[C@H](CC(=O)c2ccc(Cl)cc2)C(=O)c2ccc(F)cc2)cc1 ZINC000096906772 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCc3ccc4c(c3)OCO4)CC[C@]21C ZINC000096906801 KK Annotated Anodyne CCOC(=O)c1c(COc2cc3c(C(=O)OCC)c(COc4cc5c(C(=O)O)c(C)oc5cc4OC)oc3cc2OC)oc2cc(OC)c(O)cc12 ZINC000096906814 KK Annotated Anodyne CCOC(=O)c1c(COc2cc3c(C(=O)O)c(C)oc3cc2OC)oc2cc(OC)c(OCc3oc4cc(OC)c(OS(=O)(=O)O)cc4c3C(=O)OCC)cc12 ZINC000096906815 KK Annotated Anodyne CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OS(=O)(=O)O)c(OC)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12 ZINC000096906816 KK Annotated Anodyne CCC[C@@H]1CN(Cc2ccc(CN3C(=O)[C@](CCC4CCCCC4)(CC4CCCCC4)N=C3N)cc2)C(=O)N1 ZINC000096906862 KK Annotated Anodyne O[C@H]1/C=C/C[C@]2(O)C=C(c3nccc4c3[nH]c3ccccc34)[C@@H]3CCN(CCCC1)C[C@@]31C[C@@H]3C=CCCCCN3[C@@H]21 ZINC000096906971 KK Annotated Anodyne C[C@@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000096907025 KK Annotated Mild C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000096907026 KK Annotated Mild N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907027 KK Annotated Mild N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CCC3)cn2)n(C2CCC2)c2cc(OC(F)F)ccc12 ZINC000096907028 KK Annotated Mild CC(C)(NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2C2CCC2)nc1)C(F)(F)F ZINC000096907029 KK Annotated Mild N#Cc1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCC2)c2cc(C3CC3)ccc12 ZINC000096907035 KK Annotated Mild CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCCc3ccccc3)CC[C@]21C ZINC000096907052 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3ccccn3)CC[C@]21C ZINC000096907053 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3cccnc3)CC[C@]21C ZINC000096907054 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3ccncc3)CC[C@]21C ZINC000096907055 KK Annotated Anodyne COc1ccc(NCCC[C@](C)(O)[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)cc1 ZINC000096907056 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3ccccc3)CC[C@]21C ZINC000096907057 KK Annotated Anodyne C[C@H](NCCC[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)(C)[C@@H]3CC[C@]12C)c1ccccc1 ZINC000096907058 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(Br)cc3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1 ZINC000096907079 KK Annotated Anodyne COc1ccc(C(=O)Nc2ccc(N(C)S(=O)(=O)C(F)(F)F)c(OCc3cc(C)ccc3C)c2)cc1 ZINC000096907080 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc(I)cc3)ccc2N(C)S(=O)(=O)C(F)(F)F)c1 ZINC000096907082 KK Annotated Anodyne Cc1ccc(C)c(COc2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2N(C)S(=O)(=O)C(F)(F)F)c1 ZINC000096907084 KK Annotated Anodyne Cc1ccc(C(F)(F)F)cc1COc1cc(NC(=O)c2ccc(Br)cc2)ccc1N(C)S(C)(=O)=O ZINC000096907097 KK Annotated Anodyne Cc1ccc(C(F)(F)F)cc1COc1cc(NC(=O)c2ccc(I)cc2)ccc1N(C)S(C)(=O)=O ZINC000096907100 KK Annotated Anodyne CC[C@H]1CC[C@@H](C(=O)N(C)C)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096907115 KK Annotated Anodyne CC(C)C1=C(C(=O)N2[C@H](C(=O)N(C)C)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096907116 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N2CCN(C)CC2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096907119 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(CCCCCCCCCCCCO)C3 ZINC000096907141 KK Annotated Anodyne CCOC(CCN1COc2c(C)c(C)c3c(c2C1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)OCC ZINC000096907142 KK Annotated Anodyne CCOC(CCN1COc2cc(C)c3c(c2C1)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O3)OCC ZINC000096907143 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(Cc1ccccc1)C3 ZINC000096907147 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(C1CCN(Cc2ccccc2)CC1)C3 ZINC000096907148 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(cc(C)c2O1)OCN(C1CCN(Cc2ccccc2)CC1)C3 ZINC000096907149 KK Annotated Anodyne CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2c3c(c(C)c(C)c2O1)OCN(CCCO)C3 ZINC000096907153 KK Annotated Anodyne CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)O/N=C1\c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 ZINC000096907314 KK Annotated Mild C[C@H](O)c1cc(F)ccc1Oc1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2cc1Cc1ccccc1 ZINC000096907317 KK Annotated Anodyne C[C@@H](O)c1cc(F)ccc1Oc1nc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2cc1Cc1ccccc1 ZINC000096907318 KK Annotated Anodyne O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@H](O)CN3CCCCC3)c(Cc3ccccc3)cc2c1 ZINC000096907319 KK Annotated Bother O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3[C@@H](O)CN3CCCCC3)c(Cc3ccccc3)cc2c1 ZINC000096907320 KK Annotated Bother Oc1[nH]c(=S)nc2c1[C@@H](c1ccccc1Cl)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@@H](c1ccccc1Cl)N3 ZINC000096907333 KK Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@@H](c1ccccc1Cl)NC1=C2C=C2C(=N[C@@H](c3ccccc3Cl)c3c2nc(=S)[nH]c3O)N1 ZINC000096907334 KK Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@H](c1ccccc1Cl)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@H](c1ccccc1Cl)N3 ZINC000096907335 KK Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@@H](c1ccc(Cl)cc1)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@@H](c1ccc(Cl)cc1)N3 ZINC000096907336 KK Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@H](c1ccc(Cl)cc1)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@@H](c1ccc(Cl)cc1)N3 ZINC000096907337 KK Annotated Anodyne Oc1[nH]c(=S)nc2c1[C@H](c1ccc(Cl)cc1)N=C1NC3=C(C=C12)c1nc(=S)[nH]c(O)c1[C@H](c1ccc(Cl)cc1)N3 ZINC000096907338 KK Annotated Anodyne Cc1ccc(/C=C/c2onc(C)c2N2CC3=C(C(=O)c4ccccc4C3=O)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000096907396 KK Annotated Mild Cc1ccc(/C=C/c2onc(C)c2N2CC3=C(C(=O)c4ccccc4C3=O)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000096907397 KK Annotated Mild COc1ccc(/C=C/c2onc(C)c2N2CC3=C(C(=O)c4ccccc4C3=O)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000096907398 KK Annotated Mild COc1ccc(/C=C/c2onc(C)c2N2CC3=C(C(=O)c4ccccc4C3=O)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000096907399 KK Annotated Mild Cc1noc(/C=C/c2ccc(Cl)cc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000096907400 KK Annotated Mild Cc1noc(/C=C/c2ccc(Cl)cc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096907401 KK Annotated Mild Cc1noc(/C=C/c2ccc(Cl)cc2Cl)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000096907402 KK Annotated Mild Cc1noc(/C=C/c2ccc(Cl)cc2Cl)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096907403 KK Annotated Mild Cc1noc(/C=C/c2c(Cl)cccc2Cl)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 ZINC000096907404 KK Annotated Mild Cc1noc(/C=C/c2c(Cl)cccc2Cl)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 ZINC000096907405 KK Annotated Mild Cc1noc(/C=C/c2ccccc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@]12C(=O)Nc1ccc(Cl)cc12 ZINC000096907408 KK Annotated Mild Cc1noc(/C=C/c2ccccc2)c1N1CC2=C(C(=O)c3ccccc3C2=O)[C@@]12C(=O)Nc1ccc(Cl)cc12 ZINC000096907409 KK Annotated Mild COc1ccc2c(c1)[C@]1(C(=O)N2)C2=C(CN1c1c(C)noc1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096907410 KK Annotated Mild COc1ccc2c(c1)[C@@]1(C(=O)N2)C2=C(CN1c1c(C)noc1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096907411 KK Annotated Mild Cc1ccc2c(c1)[C@]1(C(=O)N2)C2=C(CN1c1c(C)noc1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096907412 KK Annotated Mild Cc1ccc2c(c1)[C@@]1(C(=O)N2)C2=C(CN1c1c(C)noc1/C=C/c1ccccc1)C(=O)c1ccccc1C2=O ZINC000096907413 KK Annotated Mild CC/N=C/c1c(O)c(O)c(C(C)C)c2c1C(=O)C(C1=C(C)C(=O)c3c(c(/C=N/CC)c(O)c(O)c3C(C)C)C1=O)=C(C)C2=O ZINC000096907491 KK Annotated Mild CCn1c(=O)c2c(nc(/C=C/c3ccc(OCCCC(=O)NCCCCCCCCCCCC(=O)OC)c(OC)c3)n2C)n(CC)c1=O ZINC000096907711 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907735 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907736 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907737 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN1CCN(Cc3ccccc3)CC1)c1ccccc1-2 ZINC000096907738 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907739 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907740 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907741 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)CN1CCN(C(c3ccccc3)c3ccccc3)CC1)c1ccccc1-2 ZINC000096907742 KK Annotated Anodyne COc1ccccc1NC(=O)NC[C@@H](O)CO[C@@]1(C)c2ccccc2-c2c1c(OC)nc1ccc(Br)cc21 ZINC000096907747 KK Annotated Anodyne COc1ccccc1NC(=O)NC[C@@H](O)CO[C@]1(C)c2ccccc2-c2c1c(OC)nc1ccc(Br)cc21 ZINC000096907748 KK Annotated Anodyne COc1ccccc1NC(=O)NC[C@H](O)CO[C@@]1(C)c2ccccc2-c2c1c(OC)nc1ccc(Br)cc21 ZINC000096907749 KK Annotated Anodyne COc1ccccc1NC(=O)NC[C@H](O)CO[C@]1(C)c2ccccc2-c2c1c(OC)nc1ccc(Br)cc21 ZINC000096907750 KK Annotated Anodyne COc1cccc(CN2CCN(C[C@@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907751 KK Annotated Anodyne COc1cccc(CN2CCN(C[C@@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907752 KK Annotated Anodyne COc1cccc(CN2CCN(C[C@H](O)CO[C@@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907753 KK Annotated Anodyne COc1cccc(CN2CCN(C[C@H](O)CO[C@]3(C)c4ccccc4-c4c3c(N3CCN(C(c5ccccc5)c5ccccc5)CC3)nc3ccc(Br)cc43)CC2)c1 ZINC000096907754 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@H](O)Cn1ccc(-c3cccc(C(F)(F)F)c3)n1)c1ccccc1-2 ZINC000096907768 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@H](O)Cn1ccc(-c3cccc(C(F)(F)F)c3)n1)c1ccccc1-2 ZINC000096907769 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@@](C)(OC[C@@H](O)Cn1ccc(-c3cccc(C(F)(F)F)c3)n1)c1ccccc1-2 ZINC000096907770 KK Annotated Anodyne COc1nc2ccc(Br)cc2c2c1[C@](C)(OC[C@@H](O)Cn1ccc(-c3cccc(C(F)(F)F)c3)n1)c1ccccc1-2 ZINC000096907771 KK Annotated Anodyne COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907820 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907821 KK Annotated Reactive N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096907822 KK Annotated Reactive N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096907823 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096907824 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096907825 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096907828 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096907829 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 ZINC000096907830 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 ZINC000096907831 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907832 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907833 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 ZINC000096907834 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 ZINC000096907835 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907836 KK Annotated Reactive COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907837 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 ZINC000096907842 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 ZINC000096907843 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907844 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907845 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 ZINC000096907846 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 ZINC000096907847 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907848 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907849 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907852 KK Annotated Reactive Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 ZINC000096907853 KK Annotated Reactive C[C@@H]1C[C@]2(C[C@@H](C)[C@@H]3[C@@H](C[C@@]4(C)CCC[C@@H]5C6=C[C@](O)(CC[C@]34C)OC6=CC(=O)OC5(C)C)O2)OC1=O ZINC000096907858 KK Annotated Anodyne C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)CCC[C@@H]5C6=C[C@](O)(CC[C@]34C)OC6=CC(=O)OC5(C)C)O2)OC1=O ZINC000096907859 KK Annotated Anodyne COc1cc(/C=C/C(=N\NC(N)=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2O)C(/C=C/c2ccc(O)c(OC)c2)=N/NC(N)=O)ccc1O ZINC000096907927 KK Annotated Reactive COc1cc(/C=C/C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2O)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000096907932 KK Annotated Mild COc1ccc(CNCCC[C@](C)(O)[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)cc1 ZINC000096908068 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3ccc(F)cc3)CC[C@]21C ZINC000096908069 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3ccc(Cl)cc3)CC[C@]21C ZINC000096908070 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCc3ccccc3)CC[C@]21C ZINC000096908072 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCc3ccc(Cl)cc3)CC[C@]21C ZINC000096908073 KK Annotated Anodyne COc1ccc(CCNCCC[C@](C)(O)[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)cc1OC ZINC000096908075 KK Annotated Anodyne CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCCCn3ccnc3)CC[C@]21C ZINC000096908082 KK Annotated Anodyne CC(=O)Oc1c(C)nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1COC(C)(C)OC2 ZINC000096908085 KK Annotated Reactive CC1(C)OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cnc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2O1 ZINC000096908090 KK Annotated Anodyne OCc1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cnc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1O ZINC000096908091 KK Annotated Anodyne Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1OC(C)(C)OC2 ZINC000096908092 KK Annotated Anodyne N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096908481 KK Annotated Reactive N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096908482 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096908483 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 ZINC000096908484 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908485 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908486 KK Annotated Reactive N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908487 KK Annotated Reactive N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908488 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908489 KK Annotated Reactive CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908490 KK Annotated Reactive N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908493 KK Annotated Reactive N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 ZINC000096908494 KK Annotated Reactive Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3cccs3)c(C)nn2-c2ccccc2)c1C(=O)c1cccs1 ZINC000096908509 KK Annotated Reactive COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@H](C(=O)O)c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000096908606 KK Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@@H](C(=O)O)c3ccc(Cl)cc3)c2)c(OC)c1 ZINC000096908607 KK Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@H](C(=O)O)c3ccc(Br)cc3)c2)c(OC)c1 ZINC000096908608 KK Annotated Anodyne COc1cc(OC)c(/C=C/S(=O)(=O)Nc2ccc(OC)c(N[C@@H](C(=O)O)c3ccc(Br)cc3)c2)c(OC)c1 ZINC000096908609 KK Annotated Anodyne COC(=O)[C@@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Cl)cc1 ZINC000096908625 KK Annotated Anodyne COC(=O)[C@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Cl)cc1 ZINC000096908626 KK Annotated Anodyne COC(=O)[C@@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Br)cc1 ZINC000096908627 KK Annotated Anodyne COC(=O)[C@H](Nc1cc(NS(=O)(=O)/C=C/c2c(OC)cc(OC)cc2OC)ccc1OC)c1ccc(Br)cc1 ZINC000096908628 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N2CCN(C)[C@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908702 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N2CCN(C)[C@@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908703 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N2CCN(C(C)=O)[C@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908704 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N2CCN(C(C)=O)[C@@H](C)C2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908705 KK Annotated Anodyne CC[C@@H]1CC[C@@H](C(=O)N2CCOCC2)N1C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1 ZINC000096908707 KK Annotated Anodyne CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CCN(C)[C@H](C)C3)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908708 KK Annotated Anodyne CC(C)C1=C(C(=O)N2[C@H](C(=O)N3CCN(C)[C@@H](C)C3)CC[C@H]2C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 ZINC000096908709 KK Annotated Anodyne C[C@H]1C[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000096908869 KK Annotated Anodyne CCN(CC)CCC(=O)Nc1ccc(C(=O)Nc2ccccc2-c2nc(NCCCN(C)C)c3ccccc3n2)cc1 ZINC000096908885 KK Annotated Anodyne CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(O)c(O)c2)c1COC(=O)CCCCC)OCO3 ZINC000096909326 KK Annotated Clean CCCCCCCCOC(=O)CN1Cc2c(cc3ccc4c(c3c2-c2ccc3c(c2)OCO3)OCO4)C1=O ZINC000096909330 KK Annotated Mild CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(OC)c(OC(=O)CCCCC)c2)c1COC(=O)CCCCC)OCO3 ZINC000096909332 KK Annotated Anodyne CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(O)c(OC)c2)c1COC(=O)CCCCC)OCO3 ZINC000096909337 KK Annotated Anodyne Oc1nc(CN2CCN(Cc3ccccc3)CC2)nc2cc(-c3cn(Cc4ccccc4)c4ccccc34)sc12 ZINC000096909361 KK Annotated Anodyne CCCCCC(=O)OCc1cc2ccc3c(c2c(-c2ccc(OC)c(O)c2)c1COC(=O)CCCCC)OCO3 ZINC000096909450 KK Annotated Anodyne Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(C)c2)c1 ZINC000096909586 KK Annotated Anodyne COc1cc(Oc2cccc(C)c2)ccc1C(=O)N[C@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)C(C)C ZINC000096909587 KK Annotated Anodyne Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c(O)c2)c1 ZINC000096909588 KK Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2O)c(Cl)c1 ZINC000096909590 KK Annotated Anodyne COc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cc(C)ccc1O ZINC000096909591 KK Annotated Anodyne Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909592 KK Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)cc1 ZINC000096909598 KK Annotated Anodyne CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000096909603 KK Annotated Anodyne O=C(c1nc(C(F)(F)F)ccc1-c1ncccn1)N1CC2(CC2)C[C@H]1CNc1ccc(C(F)(F)F)cn1 ZINC000096909614 KK Annotated Anodyne C=C(C)[C@@H]1[C@H](O)C[C@@H]2C(=CC[C@]3(C)[C@@H]([C@H](C)CC/C=C(\C)C(=O)OC)CC[C@@]23C)[C@@]1(C)CCC(=O)O ZINC000096909621 KK Annotated Mild CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Cl)cc1 ZINC000096909632 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Cl)cc1 ZINC000096909633 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Cl)cc1 ZINC000096909634 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Cl)cc1 ZINC000096909635 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Br)cc1 ZINC000096909636 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Br)cc1 ZINC000096909637 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Br)cc1 ZINC000096909638 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1ccc(Br)cc1 ZINC000096909639 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1cccc2ccccc12 ZINC000096909644 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1cccc2ccccc12 ZINC000096909645 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1)c1cccc2ccccc12 ZINC000096909646 KK Annotated Anodyne CC(C)(C)n1nnnc1[C@H](Nc1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1)c1cccc2ccccc12 ZINC000096909647 KK Annotated Anodyne COc1ccc([C@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)c2ccccc12 ZINC000096909648 KK Annotated Anodyne COc1ccc([C@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)c2ccccc12 ZINC000096909649 KK Annotated Anodyne COc1ccc([C@@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)c2ccccc12 ZINC000096909650 KK Annotated Anodyne COc1ccc([C@@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)c2ccccc12 ZINC000096909651 KK Annotated Anodyne CC(C)c1ccc([C@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909652 KK Annotated Anodyne CC(C)c1ccc([C@@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909653 KK Annotated Anodyne CC(C)c1ccc([C@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909654 KK Annotated Anodyne CC(C)c1ccc([C@@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909655 KK Annotated Anodyne COc1ccc([C@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909656 KK Annotated Anodyne COc1ccc([C@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909657 KK Annotated Anodyne COc1ccc([C@@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909658 KK Annotated Anodyne COc1ccc([C@@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C2CCCCC2)cc1 ZINC000096909659 KK Annotated Anodyne C[C@@]1(c2ccc(N[C@@H](c3ccc(Cl)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909660 KK Annotated Anodyne C[C@]1(c2ccc(N[C@@H](c3ccc(Cl)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909661 KK Annotated Anodyne C[C@@]1(c2ccc(N[C@H](c3ccc(Cl)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909662 KK Annotated Anodyne C[C@]1(c2ccc(N[C@H](c3ccc(Cl)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909663 KK Annotated Anodyne C[C@@]1(c2ccc(N[C@@H](c3ccc(Br)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909664 KK Annotated Anodyne C[C@]1(c2ccc(N[C@@H](c3ccc(Br)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909665 KK Annotated Anodyne C[C@@]1(c2ccc(N[C@H](c3ccc(Br)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909666 KK Annotated Anodyne C[C@]1(c2ccc(N[C@H](c3ccc(Br)cc3)c3nnnn3C3CCCCC3)cc2)NC(=O)c2ccccc2N1 ZINC000096909667 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc(NCc4ccco4)nc(NCc4ccco4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909694 KK Annotated Anodyne C[C@]1(c2ccc(Nc3nc(NCc4ccco4)nc(NCc4ccco4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909695 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909696 KK Annotated Anodyne C[C@]1(c2ccc(Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909697 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc(NCc4ccccc4)nc(NCc4ccccc4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909698 KK Annotated Anodyne C[C@]1(c2ccc(Nc3nc(NCc4ccccc4)nc(NCc4ccccc4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909699 KK Annotated Anodyne COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(Nc3ccc([C@]4(C)NC(=O)c5ccccc5N4)cc3)n2)cc1 ZINC000096909700 KK Annotated Anodyne COc1ccc(CNc2nc(NCc3ccc(OC)cc3)nc(Nc3ccc([C@@]4(C)NC(=O)c5ccccc5N4)cc3)n2)cc1 ZINC000096909701 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909702 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909703 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909704 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909705 KK Annotated Anodyne COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909706 KK Annotated Anodyne COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909707 KK Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909708 KK Annotated Anodyne COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909709 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909710 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909711 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909712 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909713 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(Br)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909714 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccc(Br)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909715 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(Br)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909716 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccc(Br)cc1)N(C(=O)c1cccc(Cl)c1)c1ccc([C@@]2(C)NC(=O)c3ccccc3N2)cc1 ZINC000096909717 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909718 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909719 KK Annotated Anodyne CC(C)c1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909720 KK Annotated Anodyne CC(C)c1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909721 KK Annotated Anodyne COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909722 KK Annotated Anodyne COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909723 KK Annotated Anodyne COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909724 KK Annotated Anodyne COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2cccc(Cl)c2)c2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)cc1 ZINC000096909725 KK Annotated Anodyne C[C@@]1(c2ccc(N(C(=O)c3cccc(Cl)c3)[C@H](C(=O)NC3CCCCC3)c3ccc(Cl)cc3)cc2)NC(=O)c2ccccc2N1 ZINC000096909726 KK Annotated Anodyne C[C@]1(c2ccc(N(C(=O)c3cccc(Cl)c3)[C@H](C(=O)NC3CCCCC3)c3ccc(Cl)cc3)cc2)NC(=O)c2ccccc2N1 ZINC000096909727 KK Annotated Anodyne C[C@@]1(c2ccc(N(C(=O)c3cccc(Cl)c3)[C@@H](C(=O)NC3CCCCC3)c3ccc(Cl)cc3)cc2)NC(=O)c2ccccc2N1 ZINC000096909728 KK Annotated Anodyne C[C@]1(c2ccc(N(C(=O)c3cccc(Cl)c3)[C@@H](C(=O)NC3CCCCC3)c3ccc(Cl)cc3)cc2)NC(=O)c2ccccc2N1 ZINC000096909729 KK Annotated Anodyne C[C@@H]1O[C@H](c2ccc3c(OCc4ccccc4)cccc3c2O)C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000096909742 KK Annotated Anodyne CC(=O)Oc1cc(-c2c3c(cc4ccc5c(c24)OCO5)C(=O)OC3)ccc1OCCCCCCCCC#N ZINC000096909755 KK Annotated Mild CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4cccc(C(F)(F)F)c4)ccc3=O)c2)CC1 ZINC000096909763 KK Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4ccc(C(F)(F)F)cc4)ccc3=O)c2)CC1 ZINC000096909764 KK Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4ccccc4C(C)C)ccc3=O)c2)CC1 ZINC000096909767 KK Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4ccc5ccccc5c4)ccc3=O)c2)CC1 ZINC000096909779 KK Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(-c4cccc5ccccc45)ccc3=O)c2)CC1 ZINC000096909780 KK Annotated Anodyne CCN(CC)C(=O)C1CCN(C(=O)Nc2cccc(Cn3nc(Nc4cccc5ccccc45)ccc3=O)c2)CC1 ZINC000096909783 KK Annotated Anodyne CN1CCc2cc(-c3ccc4oc5c(-c6ccccc6)nc(=O)n(CCN6CCC(F)(F)C6)c5c4c3)ccc2C1 ZINC000096909792 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OCC#N)cc3)cn(CC#N)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909874 KK Annotated Mild C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CC(=O)OC(C)(C)C)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909875 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OCC(=O)OC(C)(C)C)cc3)cn(CC(=O)OC(C)(C)C)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909876 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)cn(CCN(CC)CC)c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909879 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C4CC4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909881 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C4CCC4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909882 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C4CCCC4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909883 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C4CCCCC4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909884 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)c4ccccc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909885 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)Cc4ccccc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909886 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C/C=C/c4ccccc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909887 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CNC(=O)OCC4c5ccccc5-c5ccccc54)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909888 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CCCNC(=O)OC(C)(C)C)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096909889 KK Annotated Anodyne CC(C)c1ccc([C@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909890 KK Annotated Anodyne CC(C)c1ccc([C@@H](Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909891 KK Annotated Anodyne CC(C)c1ccc([C@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909892 KK Annotated Anodyne CC(C)c1ccc([C@@H](Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)c2nnnn2C(C)(C)C)cc1 ZINC000096909893 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc(N4CCCc5ccccc54)nc(N4CCCc5ccccc54)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909934 KK Annotated Anodyne C[C@]1(c2ccc(Nc3nc(N4CCCc5ccccc54)nc(N4CCCc5ccccc54)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909935 KK Annotated Anodyne C[C@@]1(c2ccc(Nc3nc(N4CCc5ccccc5C4)nc(N4CCc5ccccc5C4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909936 KK Annotated Anodyne C[C@]1(c2ccc(Nc3nc(N4CCc5ccccc5C4)nc(N4CCc5ccccc5C4)n3)cc2)NC(=O)c2ccccc2N1 ZINC000096909937 KK Annotated Anodyne CCCCCNc1nc(NCCCCC)nc(Nc2ccc([C@@]3(C)NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909938 KK Annotated Anodyne CCCCCNc1nc(NCCCCC)nc(Nc2ccc([C@]3(C)NC(=O)c4ccccc4N3)cc2)n1 ZINC000096909939 KK Annotated Anodyne C/C(=N/NC(=O)COc1c(Br)cc(Br)c2cccnc12)c1ccc(Br)cc1 ZINC000096910073 KK Annotated Reactive O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccc(Br)cc1 ZINC000096910084 KK Annotated Reactive Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1O ZINC000096910121 KK Annotated Anodyne Cc1ccc(O)c(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096910122 KK Annotated Anodyne Cc1cc(C)cc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2)c1 ZINC000096910123 KK Annotated Anodyne Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2C)c1 ZINC000096910125 KK Annotated Anodyne COc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cccc(C)c1 ZINC000096910126 KK Annotated Anodyne Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2O)c1 ZINC000096910127 KK Annotated Anodyne COc1ccccc1Oc1ccc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1 ZINC000096910134 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CCCCNC(=O)OC(C)(C)C)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910155 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CCCN)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910156 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CCCCN)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910157 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)c4ccoc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910158 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)c4ccsc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910159 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)/C=C/c4ccsc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910160 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)/C=C/c4cnc[nH]4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910161 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)Nc4ccc(Br)cc4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 ZINC000096910162 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(C)=O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](COC(C)=O)C[C@@H]21 ZINC000096910166 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CC)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](CO)C[C@@H]21 ZINC000096910167 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)CC)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](COC(=O)CC)C[C@@H]21 ZINC000096910168 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C4CC4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](CO)C[C@@H]21 ZINC000096910169 KK Annotated Anodyne C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(OC(=O)C4CC4)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](COC(=O)C3CC3)C[C@@H]21 ZINC000096910170 KK Annotated Anodyne 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](COC(=O)C3CC3)C[C@@H]21 ZINC000096910171 KK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]2[C@@](C)(Br)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910180 KK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)c(Br)c4)c3O)O[C@@H]2[C@@](C)(Br)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910181 KK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)c(Br)c4Br)c3O)O[C@@H]2[C@@](C)(Br)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910182 KK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)cc4)c3O)O[C@@H]2[C@@](C)(I)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910184 KK Annotated Anodyne C/C=C/[C@H]1[C@@H]2C(=O)c3c(ncc(-c4ccc(O)c(I)c4)c3O)O[C@@H]2[C@@](C)(I)[C@H]2CC[C@H](C)C[C@H]12 ZINC000096910185 KK Annotated Anodyne CCOC(=O)C1CCN(C(=S)Sc2c(-c3ccc(Br)cc3)[nH]c3ccc(Cl)cc23)CC1 ZINC000096910197 KK Annotated Anodyne CCOC(=O)C1CCN(C(=S)Sc2c(-c3ccc(Br)cc3)n(C)c3ccccc23)CC1 ZINC000096910198 KK Annotated Anodyne CCOC(=O)C1CCN(C(=S)Sc2c(-c3ccc(Br)cc3)[nH]c3ccccc23)CC1 ZINC000096910199 KK Annotated Anodyne O=[N+]([O-])c1ccc(C(c2c[nH]c3ccc(I)cc23)c2c[nH]c3ccc(I)cc23)o1 ZINC000096910258 KK Annotated Bother Ic1ccc2[nH]cc(C(c3c4ccccc4cc4ccccc34)c3c[nH]c4ccc(I)cc34)c2c1 ZINC000096910259 KK Annotated Bother O=C(C[n+]1cn(Cc2c(-c3ccccc3)oc3ccccc23)c2ccccc21)c1ccc(Br)cc1 ZINC000096910410 KK Annotated Mild CCc1n(Cc2c(-c3ccccc3)oc3ccccc23)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000096910418 KK Annotated Mild Cc1ccc2c(I)cc(I)c(OC[C@@H](C)CCNCc3ccc(Cl)cc3)c2n1 ZINC000096910431 KK Annotated Anodyne Cc1ccc2c(I)cc(I)c(OC[C@H](C)CCNCc3ccc(Cl)cc3)c2n1 ZINC000096910432 KK Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccc(Cl)cc3Cl)nn2)c1 ZINC000096910471 KK Annotated Anodyne Nc1ncc(C(=O)N(Cc2cc(Br)cc(Br)c2)Cc2ccc3[nH]ccc3c2)o1 ZINC000096910481 KK Annotated Anodyne CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1CN(C(C)C)C(C)C)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000096910544 KK Annotated Clean CCCCN(CCCC)Cc1c(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)ccc(C)c1O ZINC000096910545 KK Annotated Clean CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1CN(Cc1ccccc1)Cc1ccccc1)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000096910546 KK Annotated Clean CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1CN1CCOCC1)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C ZINC000096910547 KK Annotated Clean Cc1cc(C)n2nc(SCc3nnc(SCc4cc(=O)oc5c4ccc4ccccc45)s3)nc2n1 ZINC000096910553 KK Annotated Bother Cc1c(C(=O)c2ccccc2)cc(C(=O)NCc2cccc(I)c2)n1Cc1ccccc1 ZINC000096910645 KK Annotated Anodyne COc1cc(CCNC(=O)c2ccc3c(c2)nc(-c2cc(OC)c(OC)c(OC)c2)n3CCc2ccc(OC)c(OC)c2)cc(OC)c1 ZINC000096910720 KK Annotated Anodyne CC[C@@H](C)C(=O)[C@@]12C(=O)C3=C(OC(C)(C)C=C3)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000096910837 KK Annotated Mild CC[C@H](C)C(=O)[C@@]12C(=O)C3=C(OC(C)(C)C=C3)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000096910838 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)C)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000096910839 KK Annotated Mild CC[C@@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000096910840 KK Annotated Mild CC[C@H](C)C(=O)[C@@]12C(=O)C(CC=C(C)C)=C3O[C@@H](C(C)(C)O)C[C@]3(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O ZINC000096910841 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)(C)O)OC2=C(C[C@@H]2OC(C)(C)[C@@H](CO)C2(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000096910842 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)(C)O)OC2=C(C[C@@H]2OC(C)(C)[C@@H](CO)C2(C)C)C(=O)[C@@]1(C(=O)c1ccccc1)C3=O ZINC000096910843 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)(C)O)OC2=C(C[C@H]2OC(C)(C)[C@H](CO)C2(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O ZINC000096910844 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@@H](C(C)C)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)c1ccccc1)C3=O ZINC000096910845 KK Annotated Mild CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)[C@H]1[C@@H]2O[C@H](C(C)(C)O)[C@@H]1O ZINC000096910846 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)[C@@H]1[C@@H](O)[C@@H](C(C)(C)O)O[C@H]12 ZINC000096910847 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)[C@@H]1[C@@H]2O[C@H](C(C)(C)O)[C@@H]1O ZINC000096910848 KK Annotated Anodyne CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@]1(C(=O)c1ccccc1)C(=O)[C@H]1[C@@H](O)[C@@H](C(C)(C)O)O[C@H]12 ZINC000096910849 KK Annotated Anodyne Cc1cc(C)c2c(=O)n(CN(Cc3ccccc3Cl)Cn3sc4nc(C)cc(C)c4c3=O)sc2n1 ZINC000096910904 KK Annotated Anodyne Cc1cc(C)c2c(=O)n(CN(Cc3ccc(Cl)cc3)Cn3sc4nc(C)cc(C)c4c3=O)sc2n1 ZINC000096910905 KK Annotated Anodyne COc1cccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)C3=C2C(=O)CC(C)(C)C3)c1O ZINC000096910929 KK Annotated Mild CC(C)[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2cccc(c2)-c2cccc(c2)-c2nc(co2)-c2nc(co2)CNC1=O ZINC000096911078 KK Annotated Anodyne O=C1N[C@@H](Cc2ccccc2)C(=O)NCc2coc(n2)-c2coc(n2)-c2cccc(c2)-c2cccc(c2)-c2nc(co2)-c2nc1co2 ZINC000096911079 KK Annotated Anodyne CC(C)(C)OC(=O)NCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2cccc(c2)-c2cccc(c2)-c2nc(co2)-c2nc(co2)CNC1=O ZINC000096911080 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NCCc1ccc(Cl)c(Cl)c1 ZINC000096911141 KK Annotated Anodyne CCCCCCCCC[n+]1cccc(-c2nc(-c3ccccc3)c3c(=O)n(CCCCCC)c4ccccc4n23)c1 ZINC000096911156 KK Annotated Mild CCCCCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](CCCCCCCCC)c3)n2c2ccccc21 ZINC000096911157 KK Annotated Mild CCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](CCCCCC)c3)n2c2ccccc21 ZINC000096911159 KK Annotated Anodyne CCCCCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](CCCCCC)c3)n2c2ccccc21 ZINC000096911160 KK Annotated Mild Oc1nc2ccccc2n2c(-c3ccc[n+](CCCC[n+]4cccc(-c5nc(-c6ccccc6)c6c(O)nc7ccccc7n56)c4)c3)nc(-c3ccccc3)c12 ZINC000096911161 KK Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4coc5ccccc5c4=O)n3-c3ccccc3)nc2n1 ZINC000096911303 KK Annotated Anodyne Cc1cc(C)n2nc(SCc3nnc(SCc4cc(=O)c5ccccc5o4)n3-c3ccccc3)nc2n1 ZINC000096911316 KK Annotated Anodyne CC(C)(C)C(=O)OCOP(=O)(C/C=C/Cn1cc(-c2ccc(OC(F)(F)F)cc2)nn1)OCOC(=O)C(C)(C)C ZINC000096913234 KK Annotated Anodyne CCCCCCCCc1cn(C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)nn1 ZINC000096913244 KK Annotated Mild CCCc1ccc(-c2cn(C/C=C/CP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)nn2)cc1 ZINC000096913264 KK Annotated Anodyne Oc1nc2ccccc2n2c(-c3ccc[n+](CCCCCC[n+]4cccc(-c5nc(-c6ccccc6)c6c(O)nc7ccccc7n56)c4)c3)nc(-c3ccccc3)c12 ZINC000096913544 KK Annotated Anodyne CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3cccc(OC)c3)c2)cc(Cl)c1O ZINC000096913583 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3cccc(C)c3)c2)cc(Cl)c1O ZINC000096913584 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3cccc(Cl)c3)c2)cc(Cl)c1O ZINC000096913585 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccc(OC)cc3)c2)cc(Cl)c1O ZINC000096913586 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccc(C)cc3)c2)cc(Cl)c1O ZINC000096913587 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccc(Cl)cc3)c2)cc(Cl)c1O ZINC000096913588 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccc(Cl)c(Cl)c3)c2)cc(Cl)c1O ZINC000096913589 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3ccc4ccccc4c3)c2)cc(Cl)c1O ZINC000096913590 KK Annotated Mild CCC(=O)Nc1cc(CNc2c(C#N)c(C)nn2-c2cccc(-c3cnc4ccccc4c3)c2)cc(Cl)c1O ZINC000096913594 KK Annotated Mild COc1cccc(-c2ccc(-n3c(Cl)cc4[nH]c(=O)c(-c5cccc(C(=O)O)c5)c(O)c43)cc2)c1O ZINC000096913632 KK Annotated Anodyne O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(CNC(=O)c2c[nH]c3cc(C(F)(F)F)ccc3c2=O)cc1 ZINC000096913816 KK Annotated Anodyne O=[N+]([O-])c1ccc(OCc2nc3cc(Br)ccc3n2S(=O)(=O)c2ccccc2Cl)cc1 ZINC000096913972 KK Annotated Bother C[C@H](C(=O)OC[C@@H]1C[C@H](Cl)C[C@H](c2cccc3ccccc23)O1)c1cccc(C(=O)c2ccccc2)c1 ZINC000096914011 KK Annotated Reactive C[C@@H](C(=O)OC[C@@H]1C[C@H](Cl)C[C@H](c2cccc3ccccc23)O1)c1cccc(C(=O)c2ccccc2)c1 ZINC000096914012 KK Annotated Reactive COC1=C[C@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@H]2C=C1 ZINC000096914017 KK Annotated Reactive COC1=C[C@@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@H]2C=C1 ZINC000096914018 KK Annotated Reactive COC1=C[C@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@@H]2C=C1 ZINC000096914019 KK Annotated Reactive COC1=C[C@@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@@H]2C=C1 ZINC000096914020 KK Annotated Reactive CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCn1cc(C[C@]3(C)CC[C@@]4(O3)C(C)=CC[C@H]3C(C)(C)CCC[C@@]34C)nn1)O2 ZINC000096914043 KK Annotated Anodyne CC(C)=C1CC[C@@H](C)[C@]2(C[C@@H](c3ccoc3)OC2=O)[C@H]1CCNC(=O)NCC[C@H]1C(=C(C)C)CC[C@@H](C)[C@]12C[C@@H](c1ccoc1)OC2=O ZINC000096914154 KK Annotated Anodyne O=Cc1c2ccc(n2)c(-c2cccc(Br)c2)c2ccc(cc3ccc(n3)c(-c3cccc(Br)c3)c3ccc1[nH]3)[nH]2 ZINC000096914190 KK Annotated Bother COc1cc(-c2c3ccc(n3)c(N3C(=O)CC[C@H]3C(=O)O)c3ccc([nH]3)c(-c3cc(OC)c(OC)c(OC)c3)c3ccc(cc4ccc2[nH]4)n3)cc(OC)c1OC ZINC000096914192 KK Annotated Bother COC(=O)[C@@H]1CCC(=O)N1c1c2ccc(n2)c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(cc3ccc(n3)c(-c3cc(OC)c(OC)c(OC)c3)c3ccc1[nH]3)[nH]2 ZINC000096914193 KK Annotated Bother O=C1CCCN1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(Br)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000096914194 KK Annotated Bother O=C1CCCN1c1c2ccc(n2)c(-c2ccccc2)c2ccc([nH]2)c(N2CCCC2=O)c2ccc(n2)c(-c2ccccc2)c2ccc1[nH]2 ZINC000096914195 KK Annotated Bother Nc1sc(-c2ccccc2)c(CN(C2CCCCC2)C2CCCCC2)c1C(=O)c1ccc(Cl)cc1 ZINC000096914217 KK Annotated Anodyne COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)[C@]1(OC)Oc2c(cc4c(cc(OC)c5cc(C)c(OC)cc54)c2C)O[C@H]31 ZINC000096914488 KK Annotated Bother COc1cc2c3c(cc(O)c2cc1C)C(C)(C)C(=O)[C@@]1(OC)Oc2c(cc4c(cc(OC)c5cc(C)c(OC)cc54)c2C)O[C@H]31 ZINC000096914489 KK Annotated Bother COC1=Cc2c(cc(OC3=C4C(=CC(=O)C4(C)C)c4cc(OC)c(C)cc4C3=O)c3cc(C)c(OC)cc23)C(C)(C)C1=O ZINC000096914493 KK Annotated Mild O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3n2S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000096914505 KK Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3n2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000096914506 KK Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3ccc(Br)cc3n2S(=O)(=O)c2ccccc2Cl)cc1 ZINC000096914510 KK Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(Br)ccc3n2S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000096914516 KK Annotated Bother O=[N+]([O-])c1ccc(OCc2nc3cc(Br)ccc3n2S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000096914517 KK Annotated Bother CC(C)(C)c1cc(/C=C/C(=O)Nc2ccc(CNC(=O)C(C#N)=C3CCCCC3)cc2)cc(C(C)(C)C)c1O ZINC000096914539 KK Annotated Reactive CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCn1cc(CCCCc3cn(CC[C@]4(C)CC[C@@]5(O4)C(C)=CC[C@H]4C(C)(C)CCC[C@@]45C)nn3)nn1)O2 ZINC000096914549 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCn1cc(-c3cccc(-c4cn(CC[C@]5(C)CC[C@@]6(O5)C(C)=CC[C@H]5C(C)(C)CCC[C@@]56C)nn4)c3)nn1)O2 ZINC000096914550 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCn1cc(COc3cccc(OCc4cn(CC[C@]5(C)CC[C@@]6(O5)C(C)=CC[C@H]5C(C)(C)CCC[C@@]56C)nn4)c3)nn1)O2 ZINC000096914551 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCOC(=O)NCCNC(=O)OCC[C@]1(C)CC[C@@]3(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]13C)O2 ZINC000096914555 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCOC(=O)NCc1cn(CC[C@]3(C)CC[C@@]4(O3)C(C)=CC[C@H]3C(C)(C)CCC[C@@]34C)nn1)O2 ZINC000096914556 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)NC(C)(C)C)O2 ZINC000096914557 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)NC(C)(C)C(C)(C)C)O2 ZINC000096914558 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)NC1CCCCC1)O2 ZINC000096914559 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)Nc1c(C)cccc1C)O2 ZINC000096914560 KK Annotated Anodyne CCCCNC(=O)C(C)(C)N(Cc1ccccc1)C(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C ZINC000096914561 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)NCCN1CCOCC1)O2 ZINC000096914562 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(Cc1ccccc1)C(C)(C)C(=O)NCc1ccccc1)O2 ZINC000096914563 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(c1ccccc1)C(C)(C)C(=O)NC(C)(C)C)O2 ZINC000096914564 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(c1ccccc1)C(C)(C)C(=O)Nc1c(C)cccc1C)O2 ZINC000096914565 KK Annotated Anodyne CCCCNC(=O)C(C)(C)N(C(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=CC[C@H]1C(C)(C)CCC[C@@]12C)c1ccccc1 ZINC000096914566 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(c1ccccc1)C(C)(C)C(=O)NCc1ccccc1)O2 ZINC000096914567 KK Annotated Anodyne CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)N(c1ccccc1)C(C)(C)C(=O)NC1CCCCC1)O2 ZINC000096914568 KK Annotated Anodyne CCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C/C=C/c1ccccc1 ZINC000096914598 KK Annotated Mild CO[C@@H](NC(C)=O)[C@H](O)[C@]1(C)CC[C@H](C(C)C)[C@@H]1c1cc([C@]2(O)Cc3cc(O)c(=O)c(C)c4c3[C@@H](O2)[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]42)cc(O)c(=O)c1C ZINC000096914621 KK Annotated Anodyne C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@@H](OCC)O[C@@H]3OC(C)=O ZINC000096914649 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](O)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@@H](OCC)O[C@@H]3OC(C)=O ZINC000096914650 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(=O)[C@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000096914655 KK Annotated Mild C=CC(=C)CC[C@@]1(C)[C@@H](C)C[C@@H](OC)[C@]23C(=C[C@@H](OC(=O)[C@@H](C)CC)C[C@H]12)[C@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000096914656 KK Annotated Mild COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(Cl)c3)nn2)c1 ZINC000096915022 KK Annotated Anodyne COc1ccc(C(=O)C2=C[C@@H](c3ccccc3C)C(=O)C=C2)c(OCc2cn(Cc3ccc(C(C)(C)C)cc3)nn2)c1 ZINC000096915031 KK Annotated Mild COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3Br)nn2)c1 ZINC000096915047 KK Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3cccc(Br)c3)nn2)c1 ZINC000096915048 KK Annotated Anodyne COc1ccc(C(=O)c2ccc(=O)n(-c3ccccc3C)c2)c(OCc2cn(Cc3ccccc3Cl)nn2)c1 ZINC000096915054 KK Annotated Anodyne C=CCOC(=O)N1c2cc3c(cc2[C@@H]2OC(C)(C)O[C@H]2[C@@H]1CCN(Cc1ccc(F)cc1)C(=O)[C@H](CC(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21)OCO3 ZINC000096915274 KK Annotated Mild CCOc1ccc2cc([C@@H]3CN(C(=O)CCC(=O)O)N=C3c3ccc(Br)cc3)c(Cl)nc2c1 ZINC000096915275 KK Annotated Anodyne CCOc1ccc2cc([C@H]3CN(C(=O)CCC(=O)O)N=C3c3ccc(Br)cc3)c(Cl)nc2c1 ZINC000096915276 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000096915294 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 ZINC000096915296 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NS(=O)(=O)C2CC2)cc1 ZINC000096915297 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(NCC2CCCCC2)cc1 ZINC000096915302 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(SC)cc1 ZINC000096915304 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)[C@@H]1c1ccc(NCc2ccccc2)cc1 ZINC000096915305 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(C#N)cc1 ZINC000096915307 KK Annotated Mild CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(C(N)=O)cc1 ZINC000096915308 KK Annotated Anodyne CCOC(=O)[C@]1(c2ccccc2)N=C(c2ccc(OC)cc2)N(Cc2ccccc2)[C@@H]1c1ccc(N)cc1 ZINC000096915309 KK Annotated Anodyne C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000096915732 KK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000096915734 KK Annotated Mild C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+]([C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21 ZINC000096915740 KK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+]([C@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21 ZINC000096915743 KK Annotated Mild C[C@@H](c1ccc2oc3ccccc3c2c1)n1c[n+]([C@@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21 ZINC000096915745 KK Annotated Mild C[C@H](c1ccc2oc3ccccc3c2c1)n1c[n+]([C@@H](C(=O)c2ccccc2)c2ccccc2)c2ccccc21 ZINC000096915747 KK Annotated Mild O=C(C[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc(Br)cc1 ZINC000096915774 KK Annotated Mild O=C(C[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1)c1ccc(Br)cc1 ZINC000096915776 KK Annotated Mild O=C(c1ccccc1)[C@H](c1ccccc1)[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1 ZINC000096915782 KK Annotated Mild O=C(c1ccccc1)[C@H](c1ccccc1)[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1 ZINC000096915784 KK Annotated Mild O=C(c1ccccc1)[C@@H](c1ccccc1)[n+]1ccn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1 ZINC000096915786 KK Annotated Mild O=C(c1ccccc1)[C@@H](c1ccccc1)[n+]1ccn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c1 ZINC000096915789 KK Annotated Mild Cc1n([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000096915812 KK Annotated Mild Cc1n([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000096915814 KK Annotated Mild Cc1n([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000096915820 KK Annotated Mild Cc1n([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)cc[n+]1CC(=O)c1ccc2ccccc2c1 ZINC000096915822 KK Annotated Mild O=[N+]([O-])c1ccc(C[n+]2cn([C@@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c3ccccc32)cc1 ZINC000096915828 KK Annotated Bother O=[N+]([O-])c1ccc(C[n+]2cn([C@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c3ccccc32)cc1 ZINC000096915830 KK Annotated Bother O=C(C[n+]1cn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc(O)cc1 ZINC000096915837 KK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc(O)cc1 ZINC000096915838 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn([C@@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c3ccccc32)cc1 ZINC000096915839 KK Annotated Mild COc1ccc(C(=O)C[n+]2cn([C@H](c3ccccc3)c3ccc4oc5ccccc5c4c3)c3ccccc32)cc1 ZINC000096915840 KK Annotated Mild O=C(C[n+]1cn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc(Br)cc1 ZINC000096915841 KK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc(Br)cc1 ZINC000096915843 KK Annotated Mild O=C(C[n+]1cn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc(F)cc1 ZINC000096915844 KK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc(F)cc1 ZINC000096915846 KK Annotated Mild O=C(C[n+]1cn([C@@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000096915848 KK Annotated Mild O=C(C[n+]1cn([C@H](c2ccccc2)c2ccc3oc4ccccc4c3c2)c2ccccc21)c1ccc2ccccc2c1 ZINC000096915850 KK Annotated Mild CCCOc1ccc(NC(=S)Nc2ccccc2)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1 ZINC000096916035 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3/C(=C/c3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916231 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3/C(=C/c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916233 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3/C(=C/c3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916237 KK Annotated Anodyne COc1cc(OC)cc([C@@H]2[C@@H](SCc3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 ZINC000096916243 KK Annotated Anodyne COc1cc(OC)cc([C@@H]2[C@H](SCc3ccccc3)c3cc(OC)cc(OC)c3[C@H]2c2ccccc2)c1 ZINC000096916244 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H](SCc3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916246 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H](SCc3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916248 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H](SCc3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916250 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H](SCc3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916252 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H](SCc3ccc(F)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916254 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H](SCc3ccc(F)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916256 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H](SCc3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916258 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H](SCc3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916260 KK Annotated Anodyne COc1ccc([C@@H](O)[C@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)cc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916262 KK Annotated Anodyne COc1ccc([C@@H](O)[C@@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)cc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916264 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@@H](O)c3ccc(OC)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916266 KK Annotated Anodyne COc1ccc([C@H](O)[C@@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccc(OC)cc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916268 KK Annotated Anodyne COc1ccc([C@H](O)[C@@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916277 KK Annotated Anodyne COc1ccc([C@@H](O)[C@@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916279 KK Annotated Anodyne COc1ccc([C@H](O)[C@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916281 KK Annotated Anodyne COc1ccc([C@@H](O)[C@H]2c3cc(OC)cc(OC)c3[C@@H](c3ccccc3)[C@@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916283 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@H](O)c3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916570 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@H](O)c3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916572 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@@H](O)c3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916574 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@@H](O)c3ccccc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916576 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@@H](O)c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916578 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@H](O)c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916580 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@@H](O)c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916582 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@H](O)c3ccc(C)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916584 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@H](O)c3ccc(F)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916586 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@H](O)c3ccc(F)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916588 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@@H](O)c3ccc(F)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916590 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@@H](O)c3ccc(F)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916592 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@H](O)c3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916594 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@H](O)c3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916596 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@H]([C@@H](O)c3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916598 KK Annotated Anodyne COc1ccc([C@@H]2c3c(OC)cc(OC)cc3[C@@H]([C@@H](O)c3ccc(Cl)cc3)[C@H]2c2cc(OC)cc(OC)c2)cc1 ZINC000096916600 KK Annotated Anodyne CCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4ccccc4)c3)n2c2ccccc21 ZINC000096916686 KK Annotated Anodyne CCCCCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4ccccc4)c3)n2c2ccccc21 ZINC000096916688 KK Annotated Mild CCCCCCCCCCCCCCCCCCn1c(=O)c2c(-c3ccccc3)nc(-c3ccc[n+](Cc4ccccc4)c3)n2c2ccccc21 ZINC000096916690 KK Annotated Mild c1ccc(-c2ccc(Cn3cc(CN(Cc4cn(Cc5ccc(-c6ccccc6)cc5)nn4)Cc4cn(Cc5ccc(-c6ccccc6)cc5)nn4)nn3)cc2)cc1 ZINC000096917357 KK Annotated Anodyne CCOc1ccc(CCN[C@H](CN[C@@H](CNC)CC2CCCCC2)Cc2ccc3ccccc3c2)cc1 ZINC000096917593 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)NC[C@H](C)c1ccc(CC(C)C)cc1 ZINC000096917594 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000096917597 KK Annotated Anodyne CC(C)CC(c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O)c1c(O)cc(/C=C/c2ccc(O)c(O)c2)oc1=O ZINC000096917613 KK Annotated Clean CC(C)=CCc1cc2[nH]c3c(c2cc1CC=C(C)C)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H](C(C)(C)O)O[C@H]4CC[C@]2(C)[C@@]31C ZINC000096917629 KK Annotated Mild c1ccc2c(Cn3cc(CN(Cc4cn(Cc5cccc6ccccc56)nn4)Cc4cn(Cc5cccc6ccccc56)nn4)nn3)cccc2c1 ZINC000096917648 KK Annotated Anodyne CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3cccc4c(N(C)C)cccc34)c3ccccc23)CC1 ZINC000096917781 KK Annotated Mild Cc1c(C)c(S(=O)(=O)n2c(-c3ccccc3)c(/C=N/N3CCN(C)CC3)c3ccccc32)c(C)c2c1OC(C)(C)CC2 ZINC000096917784 KK Annotated Mild Cc1c(C)c(S(=O)(=O)n2c(-c3ccccc3)c(/C=N/N3CCN(C)CC3)c3ccccc32)c(C)c2c1OC(C)(C)C2 ZINC000096917786 KK Annotated Mild Cc1c(/C=N/N2CCN(C)CC2)c2ccccc2n1S(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC000096917788 KK Annotated Mild COc1cc(OC)c(Br)c(C(=O)c2c(OC)c(Cl)c(C)c(Cl)c2OC)c1Br ZINC000096917819 KK Annotated Anodyne COc1cc(OC)c(CC=C(C)C)c(C(=O)c2c(OC)c(Cl)c(C)c(Cl)c2OC)c1Br ZINC000096917821 KK Annotated Anodyne COc1c(Cl)c(C)c(Cl)c(O)c1[C@@H]1c2c(CC=C(C)C)c(O)cc(O)c2C(=O)N1Cc1ccccc1 ZINC000096917825 KK Annotated Clean COc1c(Cl)c(C)c(Cl)c(O)c1[C@H]1c2c(CC=C(C)C)c(O)cc(O)c2C(=O)N1Cc1ccccc1 ZINC000096917827 KK Annotated Clean COc1c(Cl)c(C)c(Cl)c(O)c1C(=O)c1c(Br)c(O)cc(O)c1Br ZINC000096917835 KK Annotated Anodyne COc1cc(C)c(Cl)cc1S(=O)(=O)n1c(-c2ccccc2)c(/C=N/N2CCN(C)CC2)c2ccccc21 ZINC000096921199 KK Annotated Mild CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ccccc23)CC1 ZINC000096921205 KK Annotated Mild CCCCc1ccc(S(=O)(=O)n2c(-c3ccccc3)c(/C=N/N3CCN(C)CC3)c3ccccc32)cc1 ZINC000096921206 KK Annotated Mild CC(C)c1ccc(S(=O)(=O)n2c(-c3ccccc3)c(/C=N/N3CCN(C)CC3)c3ccccc32)cc1 ZINC000096921207 KK Annotated Mild CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3ccc4ccccc4c3)c3ccccc23)CC1 ZINC000096921210 KK Annotated Mild CCCCN(CCCC)c1cccc2c(S(=O)(=O)n3c(-c4ccccc4)c(/C=N/N4CCN(C)CC4)c4ccccc43)cccc12 ZINC000096921211 KK Annotated Mild CCCCN(CCCC)c1cccc2c(S(=O)(=O)n3c(C)c(/C=N/N4CCN(C)CC4)c4ccccc43)cccc12 ZINC000096921221 KK Annotated Mild CNC[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)NCCc1ccc(Cl)c(Cl)c1 ZINC000096921303 KK Annotated Anodyne CNC[C@@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CC1 ZINC000096921305 KK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)NC[C@H](C)c1ccc(CC(C)C)cc1 ZINC000096921306 KK Annotated Anodyne CNC[C@@H](CC1CCCCC1)NC[C@@H](Cc1ccc2ccccc2c1)NC[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000096921307 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)NCCC1CCCCC1 ZINC000096921308 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CC1 ZINC000096921309 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@H](Cc1ccc2ccccc2c1)NCC1(c2ccccc2)CC1 ZINC000096921310 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NCCC1CCCCC1 ZINC000096921311 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NCC1CCC(C)CC1 ZINC000096921312 KK Annotated Anodyne CCOc1ccc(CCN[C@H](CN[C@H](CNC)Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 ZINC000096921316 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC[C@H](C)c1ccc(CC(C)C)cc1 ZINC000096921317 KK Annotated Anodyne CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NC[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000096921318 KK Annotated Anodyne COc1ccc(CCC[C@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000096921326 KK Annotated Anodyne COc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](OC(C)=O)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000096921327 KK Annotated Anodyne COc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](OC)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000096921328 KK Annotated Anodyne COc1ccc([C@H]2OC[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)C[C@@H]2C/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000096921329 KK Annotated Anodyne COc1cccc([C@H]2OC[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)C[C@@H]2C/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000096921330 KK Annotated Anodyne COc1ccc([C@H](O)[C@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@@H](C/C=C/c3ccc(OC)c(OC)c3)C2)cc1 ZINC000096921332 KK Annotated Anodyne COc1cccc([C@H](O)[C@H]2CO[C@H](c3ccc(OC)c(OC)c3)[C@@H](C/C=C/c3ccc(OC)c(OC)c3)C2)c1 ZINC000096921333 KK Annotated Anodyne COc1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096921335 KK Annotated Anodyne COc1cccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@@H]2c2ccc(OC)c(OC)c2)c1 ZINC000096921336 KK Annotated Anodyne COc1ccc([C@H]2OC[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)C[C@@H]2C/C=C/c2ccccc2)cc1OC ZINC000096921337 KK Annotated Anodyne COc1ccc(CCC[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000096921358 KK Annotated Anodyne COc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](OC(C)=O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000096921359 KK Annotated Anodyne COc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](OC)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1OC ZINC000096921360 KK Annotated Anodyne COc1ccc([C@@H]2OC[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)C[C@H]2C/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000096921361 KK Annotated Anodyne COc1cccc([C@@H]2OC[C@H]([C@@H](O)c3ccc(OC)c(OC)c3)C[C@H]2C/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000096921362 KK Annotated Anodyne COc1ccc([C@H](O)[C@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@H](C/C=C/c3ccc(OC)c(OC)c3)C2)cc1 ZINC000096921364 KK Annotated Anodyne COc1cccc([C@H](O)[C@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@H](C/C=C/c3ccc(OC)c(OC)c3)C2)c1 ZINC000096921365 KK Annotated Anodyne COc1ccc(/C=C/C[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000096921367 KK Annotated Anodyne COc1cccc(/C=C/C[C@@H]2C[C@@H]([C@@H](O)c3ccc(OC)c(OC)c3)CO[C@H]2c2ccc(OC)c(OC)c2)c1 ZINC000096921368 KK Annotated Anodyne COc1ccc([C@H](O)[C@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@H](C/C=C/c3ccccc3)C2)cc1OC ZINC000096921369 KK Annotated Anodyne C/C=C1/CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3c(O)ccc4c5c([nH]c34)[C@]3(C(=O)OC)C[C@H]4C[C@H](CC)[C@@H]3N(CC5)C4)C[C@@H]1[C@]2(CO)C(=O)OC ZINC000096921468 KK Annotated Anodyne CN1CCN(C23CCN(CCCN4CCCCC4)C([C@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1 ZINC000096921623 KK Annotated Anodyne CC(C)(C)c1cc(C(C)(C)C)c2oc(=O)c(/C=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c(Cl)c2c1 ZINC000096921657 KK Annotated Mild Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)c4cc(C(C)(C)C)cc(C(C)(C)C)c4oc3=O)cc2)n1 ZINC000096921659 KK Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3c(Cl)c4cc(C(C)(C)C)cc(C(C)(C)C)c4oc3=O)cc2)n1 ZINC000096921661 KK Annotated Mild O=C(c1ccc(OCc2ccccc2)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921747 KK Annotated Anodyne O=C(c1ccc(Br)cc1)c1[nH]c2nc[nH]c(=O)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921748 KK Annotated Anodyne O=C(c1ccccc1)c1[nH]c2nc(S)[nH]c(=S)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921761 KK Annotated Anodyne O=C(c1ccccc1)c1[nH]c2ncnc(-c3ccccc3)c2c1-c1cc(Br)cc(Br)c1 ZINC000096921770 KK Annotated Anodyne COc1ccc(Cc2nc(-c3cc(Br)c(OCCN(C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921829 KK Annotated Anodyne CN(C)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1Br ZINC000096921934 KK Annotated Anodyne CNCCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3c[nH]c4ccccc34)n2)cc1Br ZINC000096921935 KK Annotated Anodyne COc1ccc(Cc2nc(-c3cc(Br)c(OCCCN4CCOCC4)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921937 KK Annotated Anodyne CCN(CC)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(OC)c(Br)c3)n2)cc1Br ZINC000096921938 KK Annotated Anodyne CN(C)CCCOc1c(Br)cc(-c2c[nH]c(=O)c(Cc3ccc(O)c(Br)c3)n2)cc1Br ZINC000096921941 KK Annotated Anodyne COc1ccc(Cc2nc(-c3cc(Br)c(OCCCCN4CCOCC4)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921942 KK Annotated Anodyne COc1ccc(Cc2nc(-c3cc(Br)c(OCCCCN(C)C)c(Br)c3)c[nH]c2=O)cc1Br ZINC000096921943 KK Annotated Anodyne CCCCCCCCN(CCCCCCCC)Cc1c(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)ccc(C)c1O ZINC000096921972 KK Annotated Mild CCCN(CCC)Cc1c(CC[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@](CC)([C@H]3CC[C@](O)(CC)[C@H](C)O3)C[C@@H]2C)ccc(C)c1O ZINC000096921973 KK Annotated Clean FC(F)(F)c1cc(N(Cc2nc3ccccc3[nH]2)Cc2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1 ZINC000096922174 KK Annotated Anodyne CO[C@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000096922199 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)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 ZINC000096922200 KK Annotated Anodyne CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccc(C(C)C)cc5)n(-c5ccc(F)cc5F)c4C)CC3)c(F)c2)C(=O)O1 ZINC000096922240 KK Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccccc5C)n(-c5ccc(F)cc5)c4C)CC3)c(F)c2)C(=O)O1 ZINC000096922241 KK Annotated Clean Cc1ccccc1-c1cc(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6cncn6C)nn5)OC4=O)cc3F)CC2)c(C)n1-c1ccc(F)cc1 ZINC000096922242 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)CC2)cc(-c2cccc(Cl)c2)n1-c1ccccc1F ZINC000096922243 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(Cl)c(F)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000096922244 KK Annotated Clean Cc1ccc(-c2cc(CN3CCN(c4ccc(N5C[C@H](Cn6cc(-c7ccccc7)nn6)OC5=O)cc4F)CC3)c(C)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000096922245 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccc6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1cc(F)ccc1Br ZINC000096922246 KK Annotated Clean Cc1cccc(-c2cn(C[C@H]3CN(c4ccc(N5CCN(Cc6cc(-c7ccccc7C)n(-c7ccc(F)cc7)c6C)CC5)c(F)c4)C(=O)O3)nn2)c1 ZINC000096922247 KK Annotated Clean CC(=O)NC[C@H]1CN(c2ccc(N3CCN(Cc4cc(-c5ccc(F)cc5F)n(-c5cc(F)ccc5Br)c4C)CC3)c(F)c2)C(=O)O1 ZINC000096922248 KK Annotated Clean Cc1ccc(-c2cc(CN3CCN(c4ccc(N5C[C@H](Cn6cc(-c7ccccn7)nn6)OC5=O)cc4F)CC3)c(C)n2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000096922249 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(Cl)c(F)c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000096922250 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1 ZINC000096922251 KK Annotated Clean Cc1ccccc1-c1cc(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)c(C)n1-c1ccc(F)c(F)c1 ZINC000096922252 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6ccccn6)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1cc(F)ccc1Br ZINC000096922253 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6cncn6C)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(F)cc1F ZINC000096922254 KK Annotated Clean Cc1c(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6cncn6C)nn5)OC4=O)cc3F)CC2)cc(-c2ccc(F)cc2F)n1-c1ccc(F)cc1 ZINC000096922255 KK Annotated Clean Cc1ccccc1-c1cc(CN2CCN(c3ccc(N4C[C@H](Cn5cc(-c6cncn6C)nn5)OC4=O)cc3F)CC2)c(C)n1-c1ccc(F)c(F)c1 ZINC000096922256 KK Annotated Clean COc1ccc(CCOc2ccc(C[C@H]3COC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)c(OC)c1 ZINC000096922269 KK Annotated Anodyne COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(OCOc3ccc(OC)c(OC)c3)c(OC)c2)cc1OC ZINC000096922276 KK Annotated Anodyne CCN1C(=O)[C@@H](c2cccc(-c3ccncc3)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922320 KK Annotated Anodyne CCN1C(=O)[C@H](c2cccc(-c3ccncc3)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922321 KK Annotated Anodyne CCN1C(=O)[C@@H](c2ccc(-c3ccncc3)cc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922322 KK Annotated Anodyne CCN1C(=O)[C@H](c2ccc(-c3ccncc3)cc2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922323 KK Annotated Anodyne CCN1C(=O)[C@@H](c2cccc(-c3ccnn3C)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922328 KK Annotated Anodyne CCN1C(=O)[C@H](c2cccc(-c3ccnn3C)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922329 KK Annotated Anodyne CCN1C(=O)[C@@H](c2cc(-c3cnn(C)c3)ccc2O)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922334 KK Annotated Anodyne CCN1C(=O)[C@H](c2cc(-c3cnn(C)c3)ccc2O)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922335 KK Annotated Anodyne CCN1C(=O)[C@@H](c2ccc(O)c(-c3cnn(C)c3)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922336 KK Annotated Anodyne CCN1C(=O)[C@H](c2ccc(O)c(-c3cnn(C)c3)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922337 KK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3cc(O)c(-c4cnn(C)c4)cc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922343 KK Annotated Anodyne CCN1C(=O)[C@]2(CCc3cc(O)c(-c4cnn(C)c4)cc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922344 KK Annotated Anodyne CCN1C(=O)[C@@]2(CCc3c2ccc(O)c3-c2cnn(C)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922345 KK Annotated Anodyne CCN1C(=O)[C@]2(CCc3c2ccc(O)c3-c2cnn(C)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096922346 KK Annotated Anodyne N#Cc1sc2ncnc(N3CCN(c4cccc(Cl)c4Cl)CC3)c2c1-c1ccc(Cl)cc1 ZINC000096922363 KK Annotated Mild CO[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC[C@@H]2[C@@]1(C)CC[C@H]1[C@@]2(C)[C@H](O)C[C@H]2C(C)(C)C(=O)C=C[C@@]21C ZINC000096922403 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1[C@@]2(C)[C@H](O)C[C@H]2C(C)(C)C(=O)C=C[C@@]21C ZINC000096922404 KK Annotated Anodyne O=C(NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)OCC1c2ccccc2-c2ccccc21 ZINC000096922437 KK Annotated Anodyne Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(F)cc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922443 KK Annotated Mild COc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(F)cc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922444 KK Annotated Mild O=[N+]([O-])c1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(F)cc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922445 KK Annotated Mild Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(C)cc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922447 KK Annotated Mild O=C(NC(=S)NCc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 ZINC000096922486 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccc(C(C)(C)C)cc3)c(OC)c2)cc1OC ZINC000096922505 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000096922507 KK Annotated Anodyne COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OCCc3ccccc3Cl)c(OC)c2)cc1OC ZINC000096922509 KK Annotated Anodyne CCOc1ccc(CCOc2ccc(C[C@H]3C(=O)OC[C@@H]3Cc3ccc(OC)c(OC)c3)cc2OC)cc1OCC ZINC000096922510 KK Annotated Anodyne COc1cc(/C=C/C(CC(/C=C/c2ccc(O)c(OC)c2)=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O ZINC000096922546 KK Annotated Mild COc1cc(/C=C/C(=O)C(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000096922548 KK Annotated Mild COc1cc(/C=C/C(=O)C(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000096922549 KK Annotated Mild COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](OC(=O)c1ccccc1)[C@@H](C)[C@@](C)(O)[C@H]2OC(C)=O ZINC000096922559 KK Annotated Anodyne COc1ccc(Cn2cc(CO/N=C/c3c(-c4ccc(C)cc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922575 KK Annotated Mild Cc1ccc(-c2nc3ccc(Br)cn3c2/C=N/OCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000096922576 KK Annotated Mild Cc1ccc(-c2nc3ccc(Br)cn3c2/C=N/OCc2cn(Cc3ccc(C#N)cc3)nn2)cc1 ZINC000096922577 KK Annotated Mild Cc1ccc(Cn2cc(CO/N=C/c3c(-c4ccccc4)nc4ccc(Br)cn34)nn2)cc1 ZINC000096922578 KK Annotated Mild COc1ccccc1[C@H](C)NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 ZINC000096922694 KK Annotated Anodyne COc1ccccc1[C@@H](C)NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 ZINC000096922695 KK Annotated Anodyne COc1ccc([C@H](C)NC(=O)c2ccc(Sc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)cc1 ZINC000096922696 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4C(F)(F)F)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922697 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4cccc(C(F)(F)F)c4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922698 KK Annotated Anodyne CN(C)c1ccc(/C=C/c2cccc3c2N(CCCCI)C=S3/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000096922721 KK Annotated Reactive COc1ccc(OC)c(/C=C/c2cccc3c2N(CCCCI)C=S3/C=C/c2cc(OC)ccc2OC)c1 ZINC000096922728 KK Annotated Reactive Cc1ccc(-c2cc(-c3cc(OCCCN)cc(OCCCN)c3)cc(-c3cc(OCCCN)cc(OCCCN)c3)c2)cc1 ZINC000096922778 KK Annotated Anodyne NCCCOc1cc(OCCCN)cc(-c2cc(-c3cc(OCCCN)cc(OCCCN)c3)cc(-c3cc4ccccc4[nH]3)c2)c1 ZINC000096922779 KK Annotated Anodyne CC(C)(C)c1ccc(-c2cc(-c3cc(OCCCN)cc(OCCCN)c3)cc(-c3cc(OCCCN)cc(OCCCN)c3)c2)cc1 ZINC000096922780 KK Annotated Anodyne NCCCOc1cc(OCCCN)cc(-c2cc(-c3cc(OCCCN)cc(OCCCN)c3)cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)c1 ZINC000096922781 KK Annotated Anodyne COC(=O)N(OC)c1ccccc1COc1nc(Nc2ccc(F)c(F)c2F)nc(C(F)(F)F)c1C ZINC000096922918 KK Annotated Anodyne CNC(=O)N(OC)c1ccccc1COc1nc(Nc2ccc(F)c(F)c2F)nc(C(F)(F)F)c1C ZINC000096922922 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccc(C(F)(F)F)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922935 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4ccc(C(F)(F)F)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922936 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4Br)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922937 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4cccc(Br)c4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922938 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4cccc(Br)c4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922939 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccc(Br)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922940 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H]4CCc5ccccc54)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096922941 KK Annotated Anodyne Cc1c2ccc(N)cc2nc2cc(-n3c(/C=C/c4ccccc4)nc4sc5c(c4c3=O)CCCC5)ccc12 ZINC000096922949 KK Annotated Bother O=C(CCN1CCOCC1)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCCC1 ZINC000096923201 KK Annotated Anodyne CCN(CC)CCNC(=O)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1 ZINC000096923205 KK Annotated Anodyne COc1cc(-c2cc(C(=O)Nc3nc4cc(C)c(C)cc4s3)nc3cc(-c4ccccc4)nn23)cc(OC)c1OC ZINC000096923270 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccn4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923295 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4ccccn4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923296 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4cccnc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923298 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4cccnc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923301 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccncc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923303 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4ccncc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923305 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4cccs4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923307 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4cccs4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923309 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccc5ccccc5c4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923310 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)C4CCCCC4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923313 KK Annotated Anodyne Cc1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923316 KK Annotated Anodyne C[C@H](NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(F)(F)F)ccc23)c1)c1ccccc1 ZINC000096923318 KK Annotated Anodyne C[C@H](NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(C)(C)C)ccc23)c1)c1ccccc1 ZINC000096923320 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3Oc3ccc(N)cc3)ncnc2n1 ZINC000096923322 KK Annotated Clean CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3Sc3ccc(O)cc3)ncnc2n1 ZINC000096923324 KK Annotated Anodyne COC(=O)Nc1ccc(Sc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1 ZINC000096923326 KK Annotated Anodyne CC(=O)Nc1ccc(Sc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1 ZINC000096923328 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3Sc3ccc(NS(C)(=O)=O)cc3)ncnc2n1 ZINC000096923330 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)NCc4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923331 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923332 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923333 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)(C)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923335 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)NC4(c5ccccc5)CC4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923336 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](CO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923359 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](CO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923360 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](CCO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923361 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](CCO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923362 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@](C)(CO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923363 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@](C)(CO)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923364 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](c4ccccc4)C(F)(F)F)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923365 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccccc4F)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923366 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4ccccc4F)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923367 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4cccc(F)c4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923368 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@H](C)c4cccc(F)c4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923369 KK Annotated Anodyne CC(C)c1ccc2c(Nc3cc(C(=O)N[C@@H](C)c4ccc(F)cc4)ccc3Sc3ccc(N)cc3)ncnc2n1 ZINC000096923370 KK Annotated Anodyne Cc1ccccc1[C@@H](C)NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 ZINC000096923371 KK Annotated Anodyne Cc1ccccc1[C@H](C)NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1 ZINC000096923372 KK Annotated Anodyne Cc1cccc([C@@H](C)NC(=O)c2ccc(Sc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)c1 ZINC000096923374 KK Annotated Anodyne Cc1cccc([C@H](C)NC(=O)c2ccc(Sc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)c1 ZINC000096923375 KK Annotated Anodyne Cc1ccc([C@H](C)NC(=O)c2ccc(Sc3ccc(N)cc3)c(Nc3ncnc4nc(C(C)C)ccc34)c2)cc1 ZINC000096923376 KK Annotated Anodyne O=C1C[C@@H](c2ccccc2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1CCCN1CCOCC1 ZINC000096923472 KK Annotated Anodyne O=C1C[C@H](c2ccccc2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1CCCN1CCOCC1 ZINC000096923473 KK Annotated Anodyne O=C1C[C@@H](c2cccs2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1CCCN1CCCCC1 ZINC000096923474 KK Annotated Anodyne O=C1C[C@H](c2cccs2)c2c(sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)N1CCCN1CCCCC1 ZINC000096923475 KK Annotated Anodyne C[C@@H]1C[C@@H]1N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2c(F)c(F)cc(F)c21 ZINC000096923518 KK Annotated Mild C[C@H]1C[C@@H]1N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2c(F)c(F)cc(F)c21 ZINC000096923519 KK Annotated Mild C[C@@H]1C[C@H]1N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2c(F)c(F)cc(F)c21 ZINC000096923520 KK Annotated Mild C[C@H]1C[C@H]1N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2c(F)c(F)cc(F)c21 ZINC000096923521 KK Annotated Mild COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1c(O)ccc2[nH]c3c4c(c(C)cc3c12)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923541 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1c(O)ccc2[nH]c3c4c(c(C)cc3c12)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923542 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1c(O)ccc2[nH]c3c4c(c(C)cc3c12)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923543 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1c(O)ccc2[nH]c3c4c(c(C)cc3c12)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923544 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1ccc2[nH]c3c4c(c(C)cc3c2c1O)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923545 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1ccc2[nH]c3c4c(c(C)cc3c2c1O)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923546 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1ccc2[nH]c3c4c(c(C)cc3c2c1O)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923547 KK Annotated Anodyne COc1ccc2c([nH]c3c4c(c(C)cc32)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1-c1ccc2[nH]c3c4c(c(C)cc3c2c1O)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4 ZINC000096923548 KK Annotated Anodyne COc1cc2c(cc1-c1c(OC)ccc3c1[nH]c1c4c(c(C)cc13)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1cc(C)c3c(c1n2C)C=C[C@@](C)(C/C=C(\C)CCC=C(C)C)O3 ZINC000096923549 KK Annotated Anodyne COc1cc2c(cc1-c1c(OC)ccc3c1[nH]c1c4c(c(C)cc13)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1cc(C)c3c(c1n2C)C=C[C@@](C)(C/C=C(\C)CCC=C(C)C)O3 ZINC000096923550 KK Annotated Anodyne COc1cc2c(cc1-c1c(OC)ccc3c1[nH]c1c4c(c(C)cc13)O[C@@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1cc(C)c3c(c1n2C)C=C[C@](C)(C/C=C(\C)CCC=C(C)C)O3 ZINC000096923551 KK Annotated Anodyne COc1cc2c(cc1-c1c(OC)ccc3c1[nH]c1c4c(c(C)cc13)O[C@](C)(C/C=C(\C)CCC=C(C)C)C=C4)c1cc(C)c3c(c1n2C)C=C[C@](C)(C/C=C(\C)CCC=C(C)C)O3 ZINC000096923552 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(F)ccc21 ZINC000096923652 KK Annotated Anodyne O=[N+]([O-])c1ccc2c(c1)c1cc[n+]2Cc2cccc(c2)C[n+]2ccc(c3cc([N+](=O)[O-])ccc32)NCc2ccc(cc2)CN1 ZINC000096923673 KK Annotated Bother CCOC(=O)c1c(-c2c(Cl)c3ccccc3oc2=O)nn(-c2ccc(Br)cc2)c1C(=O)OCC ZINC000096923779 KK Annotated Anodyne CCOC(=O)c1c(-c2c(Cl)c3cc(C)ccc3oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC ZINC000096923782 KK Annotated Anodyne Cc1c2ccc(N)cc2nc2cc(Nc3nc(/C=C/c4ccccc4)nc4sc5c(c34)CCCC5)ccc12 ZINC000096923824 KK Annotated Bother O=C1[C@@H](c2cn(CCc3ccc(Cl)cc3Cl)nn2)N(CCC(c2ccccc2)c2ccccc2)C(=O)CN1CCc1ccc(Cl)cc1Cl ZINC000096924031 KK Annotated Anodyne O=C1[C@H](c2cn(CCc3ccc(Cl)cc3Cl)nn2)N(CCC(c2ccccc2)c2ccccc2)C(=O)CN1CCc1ccc(Cl)cc1Cl ZINC000096924032 KK Annotated Anodyne O=C1[C@@H](c2cnnn2CCc2ccc(Cl)cc2Cl)N(CCC(c2ccccc2)c2ccccc2)C(=O)CN1CCc1ccc(Cl)cc1Cl ZINC000096924033 KK Annotated Anodyne O=C1[C@H](c2cnnn2CCc2ccc(Cl)cc2Cl)N(CCC(c2ccccc2)c2ccccc2)C(=O)CN1CCc1ccc(Cl)cc1Cl ZINC000096924034 KK Annotated Anodyne O=C1C[C@](C(=O)NCCc2ccc(Cl)cc2Cl)(c2cnn(CCc3ccc(Cl)cc3Cl)n2)N1CCC(c1ccccc1)c1ccccc1 ZINC000096924035 KK Annotated Anodyne O=C1C[C@@](C(=O)NCCc2ccc(Cl)cc2Cl)(c2cnn(CCc3ccc(Cl)cc3Cl)n2)N1CCC(c1ccccc1)c1ccccc1 ZINC000096924036 KK Annotated Anodyne CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(OC(C)(C)C(=O)OCC)cc3)cc([C@H](C)CC)c2oc1=O ZINC000096924053 KK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(OC(C)(C)C(=O)OCC)cc3)cc([C@@H](C)CC)c2oc1=O ZINC000096924054 KK Annotated Mild CCOC(=O)CCCOc1ccc(C(=O)/C=C/c2cc(C(C)(C)C)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924056 KK Annotated Mild CCOC(=O)CCCOc1ccc(C(=O)/C=C/c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924057 KK Annotated Mild CCOC(=O)CCCOc1ccc(C(=O)/C=C/c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924058 KK Annotated Mild CCOC(=O)COc1ccc(C(=O)/C=C/c2cc(C(C)(C)C)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924072 KK Annotated Mild CCOC(=O)COc1ccc(C(=O)/C=C/c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924073 KK Annotated Mild CCOC(=O)COc1ccc(C(=O)/C=C/c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)cc1 ZINC000096924074 KK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@@H](C)C(=O)OCC)cc3)cc([C@H](C)CC)c2oc1=O ZINC000096924077 KK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@@H](C)C(=O)OCC)cc3)cc([C@@H](C)CC)c2oc1=O ZINC000096924078 KK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@H](C)C(=O)OCC)cc3)cc([C@H](C)CC)c2oc1=O ZINC000096924079 KK Annotated Mild CCOC(=O)c1cc2cc(/C=C/C(=O)c3ccc(O[C@H](C)C(=O)OCC)cc3)cc([C@@H](C)CC)c2oc1=O ZINC000096924080 KK Annotated Mild CCN(CC1=CC=CCC1)C(=O)Nc1cc(-c2ccc(Cl)c(CCCCNC(=O)OC)c2)sc1C(=O)O ZINC000096924207 KK Annotated Anodyne C[n+]1ccc(-c2c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc([nH]3)c(-c3c(F)c(F)c(F)c(F)c3F)c3ccc(n3)c(-c3cc[n+](C)cc3)c3ccc2[nH]3)cc1 ZINC000096924221 KK Annotated Clean C=C1CC[C@@H]2[C@](C)(COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)[C@H](OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924239 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)[C@H](OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924240 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)[C@H](OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924241 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)[C@H](OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924242 KK Annotated Mild C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H](OC(=O)CCCC[C@@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924244 KK Annotated Reactive C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@H]3CCSS3)[C@H](OC(=O)CCCC[C@@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924245 KK Annotated Reactive C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H](OC(=O)CCCC[C@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924246 KK Annotated Reactive C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@H]3CCSS3)[C@H](OC(=O)CCCC[C@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096924247 KK Annotated Reactive COc1cc(-c2nc3sc4c(c3c(=O)n2-c2nc3cc(C)ccc3s2)CCCC4)cc(OC)c1OC ZINC000096924357 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(-c3ccccc3)oc(=O)c1[C@H]2c1ccco1 ZINC000096924366 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(-c3ccccc3)oc(=O)c1[C@@H]2c1ccco1 ZINC000096924367 KK Annotated Mild CCOC(=O)C1=C(C)Oc2c(I)c(-c3ccccc3)oc(=O)c2[C@@H]1c1cccc(F)c1 ZINC000096924368 KK Annotated Anodyne CCOC(=O)C1=C(C)Oc2c(I)c(-c3ccccc3)oc(=O)c2[C@H]1c1cccc(F)c1 ZINC000096924369 KK Annotated Anodyne CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(-c3ccccc3)oc(=O)c1[C@H]2c1ccc(F)cc1 ZINC000096926811 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(-c3ccccc3)oc(=O)c1[C@@H]2c1ccc(F)cc1 ZINC000096926812 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(C3(O)CCCCC3)oc(=O)c1[C@H]2c1ccc(F)cc1 ZINC000096926813 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(C3(O)CCCCC3)oc(=O)c1[C@@H]2c1ccc(F)cc1 ZINC000096926814 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(-c3ccccc3)oc(=O)c1[C@H]2c1cccs1 ZINC000096926817 KK Annotated Mild CC1(C)CC(=O)C2=C(C1)Oc1c(I)c(-c3ccccc3)oc(=O)c1[C@@H]2c1cccs1 ZINC000096926818 KK Annotated Mild CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccccc4Cl)ccc3nc2Cl)SC1=S ZINC000096926881 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccccc4Cl)ccc3nc2Cl)SC1=S ZINC000096926882 KK Annotated Clean CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4cccc(Cl)c4)ccc3nc2Cl)SC1=S ZINC000096926883 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4cccc(Cl)c4)ccc3nc2Cl)SC1=S ZINC000096926884 KK Annotated Clean CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(Cl)cc4)ccc3nc2Cl)SC1=S ZINC000096926885 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(Cl)cc4)ccc3nc2Cl)SC1=S ZINC000096926886 KK Annotated Clean CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4cccc(F)c4)ccc3nc2Cl)SC1=S ZINC000096926889 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4cccc(F)c4)ccc3nc2Cl)SC1=S ZINC000096926890 KK Annotated Clean CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(F)cc4)ccc3nc2Cl)SC1=S ZINC000096926891 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(F)cc4)ccc3nc2Cl)SC1=S ZINC000096926892 KK Annotated Clean CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(C)cc4)ccc3nc2Cl)SC1=S ZINC000096926893 KK Annotated Clean CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(C)cc4)ccc3nc2Cl)SC1=S ZINC000096926894 KK Annotated Clean CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccccc4Cl)ccc3nc2Cl)SC1=S ZINC000096926895 KK Annotated Clean CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(Cl)cc4)ccc3nc2Cl)SC1=S ZINC000096926897 KK Annotated Clean CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc3cc(OCc4ccc(F)cc4)ccc3nc2Cl)SC1=S ZINC000096926898 KK Annotated Clean O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@H](O)c3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@H](O)c1ccccc1 ZINC000096926969 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@@H](O)c3ccccc3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)c1ccccc1 ZINC000096926970 KK Annotated Anodyne CO[C@H](c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@H](OC)c3ccccc3)cc2)cc1 ZINC000096926971 KK Annotated Anodyne CO[C@@H](c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@@H](OC)c3ccccc3)cc2)cc1 ZINC000096926972 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCCN1[C@H](O)C1CCCCC1 ZINC000096926975 KK Annotated Anodyne O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@@H](O)C3CCCCC3)cc2)cc1)[C@@H]1CCCN1[C@@H](O)C1CCCCC1 ZINC000096926976 KK Annotated Anodyne C[C@@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926979 KK Annotated Anodyne C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926980 KK Annotated Anodyne C[C@@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3[C@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926981 KK Annotated Mild C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3[C@@](C)(O)c3ccccc3)cc2)cc1 ZINC000096926982 KK Annotated Mild COc1ccc(NS(=O)(=O)c2ccc(/N=N/C(C(=O)/C=C/c3ccc(O)c(OC)c3)=C(O)\C=C\c3ccc(O)c(OC)c3)cc2)nn1 ZINC000096927058 KK Annotated Mild COc1cc(/C=C/C(=O)C(/N=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O ZINC000096927059 KK Annotated Mild COc1cc(/C=C/c2nn(-c3ccccc3)c(/C=C/c3ccc(O)c(OC)c3)c2/N=N/c2ccc(S(N)(=O)=O)cc2)ccc1O ZINC000096927060 KK Annotated Clean COc1cc(/C=C/c2nn(-c3ccccc3)c(/C=C/c3ccc(O)c(OC)c3)c2/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O ZINC000096927062 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(/N=N/c3c(/C=C/c4ccc(O)c(OC)c4)nn(-c4ccccc4)c3/C=C/c3ccc(O)c(OC)c3)cc2)nn1 ZINC000096927063 KK Annotated Clean COc1cc(/C=C/c2nn(-c3ccccc3)c(/C=C/c3ccc(O)c(OC)c3)c2/N=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)ccc1O ZINC000096927065 KK Annotated Clean COc1cc(/C=C/c2noc(/C=C/c3ccc(O)c(OC)c3)c2/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O ZINC000096927068 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(/N=N/c3c(/C=C/c4ccc(O)c(OC)c4)noc3/C=C/c3ccc(O)c(OC)c3)cc2)nn1 ZINC000096927069 KK Annotated Clean COc1cc(/C=C/c2noc(/C=C/c3ccc(O)c(OC)c3)c2/N=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)ccc1O ZINC000096927071 KK Annotated Clean COc1ccc(NS(=O)(=O)c2ccc(/N=C(/C=C(O)/C=C/c3ccc(O)c(OC)c3)\C=C\c3ccc(O)c(OC)c3)cc2)nn1 ZINC000096927078 KK Annotated Mild COc1cc(/C=C/C(O)=C/C(/C=C/c2ccc(O)c(OC)c2)=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)ccc1O ZINC000096927079 KK Annotated Mild C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)C(=O)OCc2ccccc2)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)/C=C/c1ccc(OC)cc1 ZINC000096927096 KK Annotated Mild CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(C(F)(F)F)ccc21 ZINC000096927102 KK Annotated Mild CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2cc(Cl)cc(F)c21 ZINC000096927106 KK Annotated Anodyne CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)CCc2c(F)c(F)cc(F)c21 ZINC000096927108 KK Annotated Mild CC(C)N1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccccc2C(F)(F)F)CCc2c(F)c(F)cc(F)c21 ZINC000096927112 KK Annotated Mild O=C(N[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCc2c(F)c(F)cc(F)c2N(C2CC2)C1=O)c1ccc(F)cc1C(F)(F)F ZINC000096927124 KK Annotated Mild C=C(C)O[C@@H]1[C@@H]2[C@H](CC[C@@]3(C)[C@H](O)[C@H]4[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)C[C@]4(OC(=C)C)C(=O)[C@@]13C)C2(C)C ZINC000096927193 KK Annotated Mild C[C@]12CC[C@H](OC(c3ccccc3)c3ccccc3)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)OC(c3ccccc3)c3ccccc3)CC[C@]12O ZINC000096927202 KK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096927610 KK Annotated Reactive C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@H]3CCSS3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O ZINC000096927611 KK Annotated Reactive 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(c2ccc(Br)cc2)N=C14 ZINC000096927865 KK 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(c2cccc(C(F)(F)F)c2)N=C14 ZINC000096927871 KK 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(c2cccc(Cl)c2Cl)N=C14 ZINC000096927874 KK 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(c2ccc(Cl)cc2Cl)N=C14 ZINC000096927875 KK 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(c2cc(Cl)ccc2Cl)N=C14 ZINC000096927876 KK 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(c2c(Cl)cccc2Cl)N=C14 ZINC000096927877 KK 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(c2ccc(Cl)c(Cl)c2)N=C14 ZINC000096927878 KK 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(c2cc(Cl)cc(Cl)c2)N=C14 ZINC000096927879 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccccc2Br)c14 ZINC000096927893 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc(Br)c2)c14 ZINC000096927894 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(Br)cc2)c14 ZINC000096927895 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cccc(Cl)c2Cl)c14 ZINC000096927904 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(Cl)cc2Cl)c14 ZINC000096927905 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2cc(Cl)ccc2Cl)c14 ZINC000096927906 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2c(Cl)cccc2Cl)c14 ZINC000096927907 KK Annotated Anodyne CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)c1cnn(-c2ccc(Cl)c(Cl)c2)c14 ZINC000096927908 KK Annotated Anodyne C/C(=N/NC(=O)/C(C#N)=C1/SC=C(c2ccccc2)N1c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000096927935 KK Annotated Reactive C[C@@H]1[C@]23CC(C)(C)[C@@H](Sc4ccccc4)[C@@H]2C(=O)[C@]2(C)C=C4[C@@H](Sc5ccccc5)[C@H](C)C[C@]4(O3)[C@@]12O ZINC000096928245 KK Annotated Anodyne C[C@@H]1[C@]23CC(C)(C)[C@@H](Sc4ccccc4)[C@@H]2C(=O)[C@@]2(C)C=C4[C@@H](Sc5ccccc5)[C@H](C)C[C@]4(O3)[C@@]12O ZINC000096928246 KK Annotated Anodyne COC(=O)c1cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)S2)ccc1Cl ZINC000096928281 KK 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(-c2cc(Cl)cc(Cl)c2)c14 ZINC000096928557 KK Annotated Anodyne CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2ccccc2)c1C(=O)OCC ZINC000096928604 KK Annotated Anodyne CCOC(=O)c1c(-c2cc3ccc(OCC=C(C)C)cc3oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC ZINC000096928605 KK Annotated Anodyne CCOC(=O)c1c(-c2cc3c(ccc4ccccc43)oc2=O)nn(-c2cccc(Cl)c2)c1C(=O)OCC ZINC000096928609 KK Annotated Bother CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2ccccc2)c1C(=O)OCC ZINC000096928610 KK Annotated Anodyne CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2cccc(C)c2)c1C(=O)OCC ZINC000096928611 KK Annotated Anodyne CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2cccc(Cl)c2)c1C(=O)OCC ZINC000096928612 KK Annotated Anodyne COc1cc(Cc2c(C)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC ZINC000096928669 KK Annotated Anodyne C=C1C(=O)C=C[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000096928671 KK Annotated Mild C=C1C(=O)C=C[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O ZINC000096928672 KK Annotated Mild COc1ccc(-n2nnc(CC[C@H](O)CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)n2)cc1 ZINC000096928803 KK Annotated Anodyne COc1ccc(-n2nnc(CC[C@@H](O)CN3c4ccccc4Sc4ccc(C(F)(F)F)cc43)n2)cc1 ZINC000096928804 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)N(C[C@H](O)CCc1nnn(-c3ccc(OC)cc3)n1)c1ccccc1S2 ZINC000096928805 KK Annotated Anodyne CCN(CC)c1ccc2c(c1)N(C[C@@H](O)CCc1nnn(-c3ccc(OC)cc3)n1)c1ccccc1S2 ZINC000096928806 KK 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(c2cccc(Br)c2)N=C14 ZINC000096928880 KK Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2[C@@H](Cc2cc3ccccc3[nH]2)C(=O)O)CCCC4)cc(OC)c1OC ZINC000096928927 KK Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2[C@H](Cc2cc3ccccc3[nH]2)C(=O)O)CCCC4)cc(OC)c1OC ZINC000096928928 KK Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2-c2nc3ccccc3s2)CCCC4)cc(OC)c1OC ZINC000096928931 KK Annotated Anodyne COc1cc(-c2nc3sc4c(c3c(=O)n2-c2nc3cc([N+](=O)[O-])ccc3s2)CCCC4)cc(OC)c1OC ZINC000096928932 KK Annotated Bother COc1cc(-c2nc3sc4c(c3c(=O)n2-c2ccc3c(C)c5ccc(N)cc5nc3c2)CCCC4)cc(OC)c1OC ZINC000096928933 KK Annotated Bother CCN1C(=O)[C@@]2(C[C@H](C(C)C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929207 KK Annotated Anodyne CCN1C(=O)[C@]2(C[C@H](C(C)C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929208 KK Annotated Anodyne CCN1C(=O)[C@@]2(C[C@@H](C(C)C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929209 KK Annotated Anodyne CCN1C(=O)[C@]2(C[C@@H](C(C)C)c3cc(O)ccc32)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000096929210 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000096929321 KK Annotated Anodyne CO[C@@H]1O[C@@H]([C@H](O)C(C)(C)O)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000096929322 KK Annotated Anodyne C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)[C@@](C)(O)/C5=C\C=N/OCC)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000096929394 KK Annotated Mild C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)[C@@](C)(O)/C5=C\CO)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C ZINC000096929395 KK Annotated Bother COc1cc(Cc2c(CO)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC ZINC000096929413 KK Annotated Anodyne CCCCOCc1cc(O)c(O)c(Br)c1Cc1cc(O)c(O)c(Br)c1Br ZINC000096929414 KK Annotated Clean COc1cc(C(=O)c2c(C)cc(OC)c(OC)c2Br)c(Br)c(Br)c1OC ZINC000096929417 KK Annotated Anodyne COC(=O)c1cc(OC)c(OC)c(Br)c1C(=O)c1cc(OC)c(OC)c(Br)c1Br ZINC000096929419 KK Annotated Anodyne COCc1cc(OC)c(OC)c(Br)c1C(=O)c1cc(OC)c(OC)c(Br)c1Br ZINC000096929420 KK Annotated Anodyne CCOCc1cc(OC)c(OC)c(Br)c1C(=O)c1cc(OC)c(OC)c(Br)c1Br ZINC000096929421 KK Annotated Anodyne COc1cc([C@H]2OC(=O)c3cc(OC)c(OC)c(Br)c32)c(Br)c(Br)c1OC ZINC000096929422 KK Annotated Anodyne COc1cc([C@@H]2OC(=O)c3cc(OC)c(OC)c(Br)c32)c(Br)c(Br)c1OC ZINC000096929423 KK Annotated Anodyne COc1cc([C@@H]2OCc3cc(OC)c(OC)c(Br)c32)c(Br)c(Br)c1OC ZINC000096929424 KK Annotated Anodyne COc1cc([C@H]2OCc3cc(OC)c(OC)c(Br)c32)c(Br)c(Br)c1OC ZINC000096929425 KK Annotated Anodyne COc1cc(C)c(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC ZINC000096929429 KK Annotated Anodyne COc1c(Br)c(C)c(Cc2c(Br)c(Br)c(OC)c(OC)c2Br)c(Br)c1OC ZINC000096929430 KK Annotated Anodyne CC(=O)N1CCN(c2ccc(CN(C(=O)/C=C/c3ccc(C(F)(F)F)cc3)[C@@H](Cc3ccccc3)C(=O)N3CCN(Cc4ccc(N(C)CCO)cc4)CC3)cc2)CC1 ZINC000096929511 KK Annotated Clean O=C(N/N=C/c1c(-c2ccc(Cl)cc2)nc2sc(-c3ccc4c(c3)OCO4)nn12)c1ccccc1 ZINC000096929560 KK Annotated Reactive C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC(=O)N(C(=O)C[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C)c1ncccn1 ZINC000096929593 KK Annotated Mild O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000096929727 KK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1)C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000096929728 KK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Cl)cc1 ZINC000096929729 KK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Cl)cc1 ZINC000096929730 KK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C=C(c1ccc(F)cc1)C[C@H]2c1ccc(Br)cc1 ZINC000096929733 KK Annotated Bother O=c1c2c([nH]n1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C=C(c1ccc(F)cc1)C[C@@H]2c1ccc(Br)cc1 ZINC000096929734 KK Annotated Bother O=c1c2ccccc2c2c(-c3ccccc3)c3c(=O)n(CCCCN4CCN(CCc5ccccc5C(F)(F)F)CC4)c(=O)c3c(-c3ccccc3)c12 ZINC000096929810 KK Annotated Bother FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1cc(COc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)nn1 ZINC000096929828 KK Annotated Mild FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCn1cc(COc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)nn1 ZINC000096929829 KK Annotated Mild Brc1ccc(/N=C/c2c(-c3ccccc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 ZINC000096929939 KK Annotated Mild O=C(O)c1ccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 ZINC000096929946 KK Annotated Mild O=[N+]([O-])c1ccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 ZINC000096929947 KK Annotated Mild Fc1ccc(/N=C/c2c(-c3ccc(Cl)cc3)nc3sc(-c4ccc5c(c4)OCO5)nn23)cc1Cl ZINC000096929948 KK Annotated Mild Clc1ccc(-c2nc3sc(-c4ccc5c(c4)OCO5)nn3c2/C=N/c2ccc(Br)cc2)cc1 ZINC000096929949 KK Annotated Mild CC(C)OC(=O)C(C(=O)c1ccc(Cl)nc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929986 KK Annotated Unstable CCOC(=O)C(C(=O)c1cc(F)c(Cl)nc1Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929992 KK Annotated Unstable CC(C)OC(=O)C(C(=O)c1cc(F)c(Cl)nc1Cl)=P(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096929993 KK Annotated Unstable C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)[C@H]5OC(C)=NN5C(C)=O)CC[C@]43C)[C@@H]12 ZINC000096930203 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)[C@@H]5OC(C)=NN5C(C)=O)CC[C@]43C)[C@@H]12 ZINC000096930204 KK Annotated Mild CC(=O)N1N=C(C)O[C@@H]1C(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)CC#N ZINC000096930205 KK Annotated Mild CC(=O)N1N=C(C)O[C@H]1C(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)CC#N ZINC000096930206 KK Annotated Mild O=c1oc2ccccc2cc1Sc1c(-c2ccc(Br)cc2)nc2ccccc2c1-c1ccccc1 ZINC000096930272 KK Annotated Anodyne O=c1oc2ccccc2cc1Sc1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1-c1ccccc1 ZINC000096930275 KK Annotated Bother O=c1oc2ccccc2cc1Sc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1-c1ccccc1 ZINC000096930276 KK Annotated Anodyne CN(C)c1ccc(/C=C\C(=O)c2ccc(NC(=O)CSc3nnc(-c4cccc([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000096931308 KK Annotated Mild O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(C(=O)/C=C\c2cc3ccccc3cc2O)cc1 ZINC000096931312 KK Annotated Mild O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(C(=O)/C=C\c2ccc(Cl)cc2)cc1 ZINC000096931314 KK Annotated Mild O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(C(=O)/C=C\c2ccc(Br)cc2)cc1 ZINC000096931322 KK Annotated Mild O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc(C(=O)/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000096931326 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(OC)cc3OC)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931344 KK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3ccc(OC)cc3OC)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931346 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(OC)cc3OC)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931348 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(Br)cc3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931380 KK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3ccc(Br)cc3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931382 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccc(Br)cc3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931384 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931400 KK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931402 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931404 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccccc3OC(C)=O)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931406 KK Annotated Mild COc1ccc([C@@H]2CC(=NOC(=O)c3ccccc3OC(C)=O)C[C@@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931407 KK Annotated Mild COc1ccc([C@H]2CC(=NOC(=O)c3ccccc3OC(C)=O)C[C@H](c3ccc(OC)cc3)N2C)cc1 ZINC000096931408 KK Annotated Mild C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/N(C(C)=O)C(C)=O)CC[C@]43C)[C@@H]12 ZINC000096931572 KK Annotated Mild CC(=O)N(/N=C/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)CC#N)C(C)=O ZINC000096931574 KK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/NC(C)=O)CC[C@]43C)[C@@H]12 ZINC000096931578 KK Annotated Mild CC(=O)N/N=C/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)CC#N ZINC000096931580 KK Annotated Reactive C=C(C)[C@@H]1CC[C@]2(C(=O)NCCC(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/NC(C)=O)CC[C@]43C)[C@@H]12 ZINC000096931584 KK Annotated Mild CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@H]4C[C@@H](C)C[C@@H](C)[C@@H]4[C@@H]4Oc5ccc(cc5)C[C@@H]5C(=O)N=C(O)[C@H]5C(=O)[C@H]2[C@H]43)[C@H]1C ZINC000096931985 KK Annotated Anodyne CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@H]4C[C@@H](C)C[C@@H](C)[C@@H]4[C@@H]4Oc5ccc(cc5)C[C@H]5C(=O)N=C(O)[C@@H]5C(=O)[C@H]2[C@H]43)[C@H]1C ZINC000096931987 KK Annotated Anodyne CC1=C[C@@]2(C)C(=C(C)[C@H]3[C@H]4C[C@@H](C)C[C@@H](C)[C@@H]4[C@@H]4Oc5ccc(cc5)C[C@@H]5C(=O)N(C)C(=O)[C@H]5C(=O)[C@H]2[C@H]43)[C@H]1C ZINC000096931991 KK Annotated Anodyne COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc(C(C)(C)C)c3o2)cc1 ZINC000096932428 KK Annotated Anodyne CCc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(Cl)cc3)oc12 ZINC000096932429 KK Annotated Anodyne COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc(Cl)c3o2)cc1 ZINC000096932430 KK Annotated Anodyne CC(C)c1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(Cl)cc3)oc12 ZINC000096932431 KK Annotated Anodyne CC(C)c1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(C#N)cc3)oc12 ZINC000096932432 KK Annotated Mild Cc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(C#N)cc3)oc12 ZINC000096932434 KK Annotated Mild CCc1cc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)cc2cc(C(=O)c3ccc(OC)cc3)oc12 ZINC000096932435 KK Annotated Anodyne Cc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(Cl)cc3)oc12 ZINC000096932436 KK Annotated Anodyne CC(C)(C)c1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(Cl)cc3)oc12 ZINC000096932437 KK Annotated Anodyne CCc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc2cc(C(=O)c3ccc(OC)cc3)oc12 ZINC000096932441 KK Annotated Anodyne COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc(C(C)(C)C)c3o2)cc1 ZINC000096932442 KK Annotated Anodyne COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc(C)c3o2)cc1 ZINC000096932443 KK Annotated Anodyne COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccc(OC)cc45)c4c[nH]c5ccc(OC)cc45)cc(C)c3o2)cc1 ZINC000096932444 KK Annotated Anodyne COc1ccc(C(=O)c2cc3cc(C(c4c[nH]c5ccccc45)c4c[nH]c5ccccc45)cc(C(C)C)c3o2)cc1 ZINC000096932445 KK Annotated Anodyne O=c1oc2ccccc2cc1Sc1c(-c2ccc3ccccc3c2)nc2ccccc2c1-c1ccccc1 ZINC000096932489 KK Annotated Anodyne COc1ccc2c(c1)OC(C)(C)CC2(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000096932514 KK Annotated Anodyne CCOc1ccc2c(c1)OC(C)(C)CC2(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 ZINC000096932515 KK Annotated Anodyne Cn1cc(C(c2ccc(F)cc2)c2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21 ZINC000096932516 KK Annotated Anodyne CCCCCn1cc(C(c2ccc(F)cc2)c2cn(CCCCC)c3ccc(Br)cc23)c2cc(Br)ccc21 ZINC000096932517 KK Annotated Anodyne Fc1ccc(C(c2cn(Cc3ccccc3)c3ccc(Br)cc23)c2cn(Cc3ccccc3)c3ccc(Br)cc23)cc1 ZINC000096932519 KK Annotated Anodyne Fc1ccc(Cn2cc(C(c3ccc(F)cc3)c3cn(Cc4ccc(F)cc4)c4ccc(Br)cc34)c3cc(Br)ccc32)cc1 ZINC000096932520 KK Annotated Anodyne Fc1ccc(C(c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)cc1 ZINC000096932521 KK Annotated Anodyne COc1ccc(Cn2cc(C(c3ccc(F)cc3)c3cn(Cc4ccc(OC)cc4)c4ccc(Br)cc34)c3cc(Br)ccc32)cc1 ZINC000096932522 KK Annotated Anodyne Fc1ccc(-c2ccc3/c(=N/c4ccc(-c5ccccc5)cc4)ccn(CCCN4CCCCC4)c3c2)cc1 ZINC000096932534 KK Annotated Anodyne Cc1ccc(-c2c3c(nc4nc(S)[nH]c(=S)c24)N(c2ccc(F)cc2)C2(CCCCC2)S3)cc1 ZINC000096932569 KK Annotated Anodyne Cc1ccc(-c2c3c(nc4[nH]c(=S)nc(NN)c24)N(c2ccc(F)cc2)C2(CCCCC2)S3)cc1 ZINC000096932572 KK Annotated Anodyne CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000096932647 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000096932648 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000096932649 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000096932650 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccccc1Cl ZINC000096932657 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccccc1Cl ZINC000096932658 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccc(Cl)cc1 ZINC000096932659 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccc(Cl)cc1 ZINC000096932660 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccccc1[N+](=O)[O-] ZINC000096932661 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000096932662 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000096932663 KK Annotated Mild CC(=O)N1N=C([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000096932664 KK Annotated Mild COc1ccccc1[C@@H]1CC([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)=NN1C(C)=O ZINC000096932665 KK Annotated Mild COc1ccccc1[C@H]1CC([C@H]2CC[C@H]3[C@@H]4CCC5=C(Cl)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)=NN1C(C)=O ZINC000096932666 KK Annotated Mild COc1ccc([C@@H]2CC([C@H]3CC[C@H]4[C@@H]5CCC6=C(Cl)C(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)=NN2C(C)=O)cc1 ZINC000096932667 KK Annotated Mild COc1ccc([C@H]2CC([C@H]3CC[C@H]4[C@@H]5CCC6=C(Cl)C(=O)C=C[C@]6(C)[C@H]5CC[C@]34C)=NN2C(C)=O)cc1 ZINC000096932668 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1 ZINC000096932669 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1 ZINC000096932670 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(OC)cc1 ZINC000096932671 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(OC)cc1 ZINC000096932672 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1OC ZINC000096932673 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1OC ZINC000096932674 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(OC)c1 ZINC000096932675 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(OC)c1 ZINC000096932676 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(C)cc1 ZINC000096932677 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(C)cc1 ZINC000096932678 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(C)c1 ZINC000096932679 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(C)c1 ZINC000096932680 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(F)cc1 ZINC000096932681 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(F)cc1 ZINC000096932682 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1F ZINC000096932683 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1F ZINC000096932684 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(F)c1 ZINC000096932685 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(F)c1 ZINC000096932686 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(Cl)cc1 ZINC000096932687 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(Cl)cc1 ZINC000096932688 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1Cl ZINC000096932689 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccccc1Cl ZINC000096932690 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(Cl)c1 ZINC000096932691 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(Cl)c1 ZINC000096932692 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(Br)c1 ZINC000096932693 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc(Br)c1 ZINC000096932694 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc2ccccc12 ZINC000096932695 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1cccc2ccccc12 ZINC000096932696 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc2ccccc2c1 ZINC000096932697 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc2ccccc2c1 ZINC000096932698 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1 ZINC000096932699 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1 ZINC000096932700 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(OC)cc1 ZINC000096932701 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(OC)cc1 ZINC000096932702 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1OC ZINC000096932703 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1OC ZINC000096932704 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(C)cc1 ZINC000096932705 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(C)cc1 ZINC000096932706 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(C)c1 ZINC000096932707 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(C)c1 ZINC000096932708 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(F)cc1 ZINC000096932709 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(F)cc1 ZINC000096932710 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1F ZINC000096932711 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1F ZINC000096932712 KK Annotated Mild N#Cc1c(Cl)c(Cl)c(Nc2ccccc2Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)c(C#N)c1Cl ZINC000096932877 KK Annotated Mild CC(=O)O[C@H]1C2=C(C(=O)C(OC(=O)c3ccccc3)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(=O)c1ccccc1 ZINC000096932987 KK Annotated Mild CC(=O)O[C@H]1C2=C(C(=O)C(OC(=O)c3ccc(Cl)cc3)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1OC(=O)c1ccc(Cl)cc1 ZINC000096932988 KK Annotated Mild NCCc1c(Sc2[nH]c3cc(Br)ccc3c2CCN)[nH]c2cc(Br)ccc12 ZINC000096933056 KK Annotated Anodyne NCCCOc1cc(OCCCN)cc(-n2cc(-c3ccc4c(ccc5cc(-c6cn(-c7cc(OCCCN)cc(OCCCN)c7)nn6)ccc54)c3)nn2)c1 ZINC000096933247 KK Annotated Bother NCCCOc1cc(OCCCN)cc(-c2ccc3ccc(-c4cc(OCCCN)cc(OCCCN)c4)cc3c2)c1 ZINC000096933248 KK Annotated Anodyne CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)c(-c2ccc(OC)c(OC)c2)cn1CCc1ccc(OC)c(OC)c1 ZINC000096933251 KK Annotated Anodyne CC(C)Sc1nnc(-c2c(CN3CCC(N4CCCC4)CC3)c3ccccc3n2C)n1-c1ccccc1 ZINC000096933313 KK Annotated Anodyne COc1cc(NCc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccccc23)cc(OC)c1OC ZINC000096933316 KK Annotated Anodyne COc1cc(NCc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccc(F)cc23)cc(OC)c1OC ZINC000096933333 KK Annotated Anodyne COc1ccc(CNCc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccc(F)cc23)cc1 ZINC000096933344 KK Annotated Anodyne COc1cccc(CNCc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccc(F)cc23)c1 ZINC000096933345 KK Annotated Anodyne N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933460 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933461 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933462 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933463 KK Annotated Reactive N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933469 KK Annotated Reactive N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933470 KK Annotated Reactive N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933471 KK Annotated Reactive N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933472 KK Annotated Reactive N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933473 KK Annotated Reactive N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933474 KK Annotated Reactive N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933475 KK Annotated Reactive N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933476 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933477 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933478 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933479 KK Annotated Reactive N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933480 KK Annotated Reactive N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933493 KK Annotated Reactive N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933494 KK Annotated Reactive N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933495 KK Annotated Reactive N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933496 KK Annotated Reactive N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 ZINC000096933497 KK Annotated Reactive N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 ZINC000096933498 KK Annotated Reactive N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 ZINC000096933499 KK Annotated Reactive N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 ZINC000096933500 KK Annotated Reactive COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@H]3c3ccccc3)c2C#N)c1 ZINC000096933513 KK Annotated Reactive COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 ZINC000096933514 KK Annotated Reactive COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@H]3c3ccccc3)c2C#N)c1 ZINC000096933515 KK Annotated Reactive COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 ZINC000096933516 KK Annotated Reactive CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(Br)cc1 ZINC000096933713 KK Annotated Anodyne CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)C[C@H]21)c1ccc(Br)cc1 ZINC000096933714 KK Annotated Anodyne Oc1ccccc1/C=N/n1c(C23CC4CC(CC(C4)C2)C3)nn(CN2CCN(c3ccccc3)CC2)c1=S ZINC000096933792 KK Annotated Mild Cc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(C)cc2)CN(C)[C@]32C(=O)N(CN3CCCCC3)c3ccccc32)cc1 ZINC000096933796 KK Annotated Mild CCCc1cc(C(c2c[nH]c3ccc(O)cc23)c2c[nH]c3ccc(O)cc23)cc2cc(C(=O)c3ccc(OC)cc3)oc12 ZINC000096933798 KK Annotated Anodyne COc1cc2c(cc1OC)[C@H](N1CCC(n3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)c4cc(Cl)ccc43)CC1)CC2 ZINC000096933823 KK Annotated Bother COc1cc2c(cc1OC)[C@@H](N1CCC(n3c(=O)n(Cc4ccc([N+](=O)[O-])cc4)c4cc(Cl)ccc43)CC1)CC2 ZINC000096933824 KK Annotated Bother C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C(F)(F)F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 ZINC000096933834 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C(F)(F)F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 ZINC000096933840 KK Annotated Reactive C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 ZINC000096933842 KK Annotated Reactive C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)CC1 ZINC000096933850 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)CC1 ZINC000096933851 KK Annotated Anodyne C/C1=C\C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1 ZINC000096933852 KK Annotated Anodyne CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccc([N+](=O)[O-])cc1 ZINC000096934105 KK Annotated Reactive CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccc([N+](=O)[O-])cc1 ZINC000096934106 KK Annotated Reactive CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@H]3c1ccc([N+](=O)[O-])cc1 ZINC000096934107 KK Annotated Reactive CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@H]3c1ccc([N+](=O)[O-])cc1 ZINC000096934108 KK Annotated Reactive COc1ccc([C@H]2O[C@]34C[C@@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934109 KK Annotated Reactive COc1ccc([C@H]2O[C@]34C[C@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934110 KK Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934111 KK Annotated Reactive COc1ccc([C@@H]2O[C@]34C[C@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 ZINC000096934112 KK Annotated Reactive C[C@H]1CC[C@@H](C(C)(C)SC2=C(SC(C)(C)[C@H]3CC[C@@H](C)CC3=O)C(=O)c3ccccc3C2=O)C(=O)C1 ZINC000096934149 KK Annotated Mild O=C1C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)=C(N2CCOCC2)C(=O)c2ccccc21 ZINC000096934159 KK Annotated Mild O=C1C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)=C(N2CCSCC2)C(=O)c2ccccc21 ZINC000096934160 KK Annotated Mild O=C1C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)=C(N2CCCC2)C(=O)c2ccccc21 ZINC000096934161 KK Annotated Mild O=C1C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)=C(N2CCCCC2)C(=O)c2ccccc21 ZINC000096934162 KK Annotated Mild O=C1C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)=C(N2CCN(c3ccc(F)cc3)CC2)C(=O)c2ccccc21 ZINC000096934163 KK Annotated Mild COC(=O)CCSC1=C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)c2ccccc2C1=O ZINC000096934164 KK Annotated Mild CCCCOC(=O)CCSC1=C(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C(=O)c2ccccc2C1=O ZINC000096934165 KK Annotated Mild C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)CC1 ZINC000096934226 KK Annotated Anodyne CN1C[C@@H](c2cccs2)[C@@]2(CCC/C(=C\c3cccs3)C2=O)[C@@]12C(=O)N(CN1CCCCC1)c1ccccc12 ZINC000096934230 KK Annotated Mild CN1C[C@@H](c2cccs2)[C@@]2(CCC/C(=C\c3cccs3)C2=O)[C@@]12C(=O)N(CN1CCOCC1)c1ccccc12 ZINC000096934231 KK Annotated Mild CN1CCN(CN2C(=O)[C@@]3(c4ccccc42)N(C)C[C@@H](c2cccs2)[C@@]32CCC/C(=C\c3cccs3)C2=O)CC1 ZINC000096934232 KK Annotated Mild CN1CCN(CN2C(=O)[C@@]3(c4ccccc42)N(C)C[C@@H](c2ccc(F)cc2)[C@@]32CCC/C(=C\c3ccc(F)cc3)C2=O)CC1 ZINC000096934416 KK Annotated Mild Cc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(C)cc2)CN(C)[C@]32C(=O)N(CN3CCOCC3)c3ccccc32)cc1 ZINC000096934417 KK Annotated Mild Cc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(C)cc2)CN(C)[C@]32C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 ZINC000096934418 KK Annotated Mild COc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(OC)cc2)CN(C)[C@]32C(=O)N(CN3CCCCC3)c3ccccc32)cc1 ZINC000096934419 KK Annotated Mild COc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(OC)cc2)CN(C)[C@]32C(=O)N(CN3CCOCC3)c3ccccc32)cc1 ZINC000096934420 KK Annotated Mild COc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(OC)cc2)CN(C)[C@]32C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1 ZINC000096934421 KK Annotated Mild COc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(OC)c(OC)c2)CN(C)[C@]32C(=O)N(CN3CCCCC3)c3ccccc32)cc1OC ZINC000096934422 KK Annotated Mild COc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(OC)c(OC)c2)CN(C)[C@]32C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC ZINC000096934423 KK Annotated Mild COc1ccc(/C=C2\CCC[C@]3(C2=O)[C@H](c2ccc(OC)c(OC)c2)CN(C)[C@]32C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1OC ZINC000096934424 KK Annotated Mild CN1C[C@@H](c2ccccc2)[C@@]2(CCC/C(=C\c3ccccc3)C2=O)[C@@]12C(=O)N(CN1CCCCC1)c1ccccc12 ZINC000096934425 KK Annotated Mild CN1C[C@@H](c2ccccc2)[C@@]2(CCC/C(=C\c3ccccc3)C2=O)[C@@]12C(=O)N(CN1CCOCC1)c1ccccc12 ZINC000096934426 KK Annotated Mild CN1CCN(CN2C(=O)[C@@]3(c4ccccc42)N(C)C[C@@H](c2ccc(Cl)cc2)[C@@]32CCC/C(=C\c3ccc(Cl)cc3)C2=O)CC1 ZINC000096934428 KK Annotated Mild CN1C[C@@H](c2ccc(Cl)cc2Cl)[C@@]2(CCC/C(=C\c3ccc(Cl)cc3Cl)C2=O)[C@@]12C(=O)N(CN1CCOCC1)c1ccccc12 ZINC000096934429 KK Annotated Mild CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CCC/C(=C\c3ccc(F)cc3)C2=O)[C@@]12C(=O)N(CN1CCCCC1)c1ccccc12 ZINC000096934430 KK Annotated Mild CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CCC/C(=C\c3ccc(F)cc3)C2=O)[C@@]12C(=O)N(CN1CCOCC1)c1ccccc12 ZINC000096934431 KK Annotated Mild CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@@H](C(C)(C)O)O3)[C@@H]12 ZINC000096934460 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)c2ccccc2C(=O)O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934461 KK Annotated Anodyne CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)/C=C/c2ccccc2)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934462 KK Annotated Anodyne CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@H]([C@]3(C)CC[C@H](C(C)(C)O)O3)[C@@H]12 ZINC000096934463 KK Annotated Anodyne CC(C)(O)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)c2ccccc2C(=O)O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 ZINC000096934465 KK Annotated Anodyne CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000096934689 KK Annotated Clean CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000096934690 KK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccc1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000096934691 KK Annotated Clean CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccc1)=C2c1ccc(OC(=O)OC(C)(C)C)c2ncccc12 ZINC000096934692 KK Annotated Clean O=S(=O)(Nc1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(Cl)cc1Cl ZINC000096934774 KK Annotated Anodyne O=S(=O)(Nc1cnc(OC2CCN(c3ccccc3)CC2)c(Cl)c1)c1ccc(-c2ccccn2)s1 ZINC000096934782 KK Annotated Anodyne CN(CCOc1ncc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1nc2ccccc2o1 ZINC000096934784 KK Annotated Anodyne O=S(=O)(Nc1ccccn1)c1ccc(N/C(S)=N\c2ccnc3cc(C(F)(F)F)ccc23)cc1 ZINC000096934993 KK Annotated Mild Cc1ccnc(NS(=O)(=O)c2ccc(N/C(S)=N\c3ccnc4cc(C(F)(F)F)ccc34)cc2)n1 ZINC000096934995 KK Annotated Mild Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C(S)=N\c3ccnc4cc(C(F)(F)F)ccc34)cc2)n1 ZINC000096934996 KK Annotated Mild CC(C)(C)OC(=O)N(CCCCCCCCN(CCCNC(=O)Cc1ccccc1O)C(=O)OC(C)(C)C)CCCNC(=O)Cc1ccccc1O ZINC000096935041 KK Annotated Anodyne CC(C)(C)OC(=O)N(CCCCCCCCCCCCN(CCCNC(=O)c1ccccc1O)C(=O)OC(C)(C)C)CCCNC(=O)c1ccccc1O ZINC000096935047 KK Annotated Anodyne COc1ccc(OC)c(C(=O)NCCCN(CCCCCCCCCCCCN(CCCNC(=O)c2cc(OC)ccc2OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1 ZINC000096935048 KK Annotated Anodyne CN1CCN(CCCNc2ccc(-n3cc(-c4ccc5ccc(-c6cn(-c7ccc(NCCCN8CCN(C)CC8)cc7)nn6)cc5c4)nn3)cc2)CC1 ZINC000096935079 KK Annotated Anodyne CN1CCN(CCCNc2cccc(-n3cc(-c4ccc5ccc(-c6cn(-c7cccc(NCCCN8CCN(C)CC8)c7)nn6)cc5c4)nn3)c2)CC1 ZINC000096935080 KK Annotated Anodyne CCN(CC)CCNc1cccc(-c2ncc(-c3cccc(-c4cnc(-c5cccc(NCCN(CC)CC)c5)o4)c3)o2)c1 ZINC000096935084 KK Annotated Anodyne COc1ccc2c(c[n+]3c4c2ccc2c5c(cc(c24)CC3)OCO5)c1OC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000096935109 KK Annotated Bother CC(C)(C)OC(=O)N(CCCCCCCCCCCCN(CCCNC(=O)Cc1ccccc1O)C(=O)OC(C)(C)C)CCCNC(=O)Cc1ccccc1O ZINC000096935268 KK Annotated Anodyne CC(C)(C)OC(=O)N(CCCCCCCCCCCCN(CCCNC(=O)CCc1ccccc1O)C(=O)OC(C)(C)C)CCCNC(=O)CCc1ccccc1O ZINC000096935273 KK Annotated Anodyne CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(F)c1 ZINC000096935423 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(F)c1 ZINC000096935424 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(Cl)cc1 ZINC000096935425 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(Cl)cc1 ZINC000096935426 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1Cl ZINC000096935427 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccccc1Cl ZINC000096935428 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(Cl)c1 ZINC000096935429 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(Cl)c1 ZINC000096935430 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(Br)cc1 ZINC000096935431 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc(Br)cc1 ZINC000096935432 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(Br)c1 ZINC000096935433 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc(Br)c1 ZINC000096935434 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc2ccccc12 ZINC000096935435 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1cccc2ccccc12 ZINC000096935436 KK Annotated Mild CCOP(=O)(OCC)[C@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc2ccccc2c1 ZINC000096935437 KK Annotated Mild CCOP(=O)(OCC)[C@@H](NC(=S)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3/C(=N\O)C[C@H]21)c1ccc2ccccc2c1 ZINC000096935438 KK Annotated Mild N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1=O ZINC000096935439 KK Annotated Mild Cc1ccc(Nc2ccc(Nc3c(Cl)c(Cl)c(C#N)c(Cl)c3C#N)c3nc[nH]c(=O)c23)cc1C ZINC000096937280 KK Annotated Mild N#Cc1c(Cl)c(Cl)c(Nc2ccc(Nc3ccc(Cl)cc3)c3c(=O)[nH]cnc23)c(C#N)c1Cl ZINC000096937283 KK Annotated Mild CCOCCOCCOCCOc1c(Br)c(Br)c(OCCOCCOCCOCC)c(Br)c1Br ZINC000096937308 KK Annotated Anodyne CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1sc(N(C)c2ccccc2)nc1-c1ccccc1 ZINC000096937371 KK Annotated Bother CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1sc(N(CC)c2ccccc2)nc1-c1ccccc1 ZINC000096937376 KK Annotated Bother CCOC(=O)c1cn(-c2ccc(Cl)cc2)nc1-c1sc(N(Cc2ccccc2)c2ccccc2)nc1-c1ccccc1 ZINC000096937380 KK Annotated Anodyne CO[C@@H]1C(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000096937442 KK Annotated Anodyne CC(C)(C)c1ccc(O)c([C@@]2(c3ccccc3)C(=O)Nc3ccc(-c4ccc(N5CCOCC5)nc4)cc32)c1 ZINC000096937476 KK Annotated Anodyne CC(C)(C)c1ccc(O)c([C@]2(c3ccccc3)C(=O)Nc3ccc(-c4ccc(N5CCOCC5)nc4)cc32)c1 ZINC000096937477 KK Annotated Anodyne CN(C)c1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1 ZINC000096937480 KK Annotated Anodyne CN(C)c1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1 ZINC000096937481 KK Annotated Anodyne COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1F ZINC000096937484 KK Annotated Anodyne COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccccc32)cc1F ZINC000096937485 KK Annotated Anodyne COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(I)cc32)cc1 ZINC000096937490 KK Annotated Anodyne COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(I)cc32)cc1 ZINC000096937491 KK Annotated Anodyne COc1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000096937492 KK Annotated Anodyne COc1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3ccc(OC(F)(F)F)cc32)cc1 ZINC000096937493 KK Annotated Anodyne CN(C)c1ccc([C@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3c2ccc(F)c3F)cc1 ZINC000096937494 KK Annotated Anodyne CN(C)c1ccc([C@@]2(c3cc(C(C)(C)C)ccc3OCCN3CCOCC3)C(=O)Nc3c2ccc(F)c3F)cc1 ZINC000096937495 KK Annotated Anodyne CCOC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937549 KK Annotated Anodyne O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)Oc1ccccc1 ZINC000096937550 KK Annotated Anodyne O=C(CC1CCCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937553 KK Annotated Anodyne CC(C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937554 KK Annotated Anodyne CC(C)CCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937556 KK Annotated Anodyne O=C(CC1CCCC1)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1 ZINC000096937557 KK Annotated Anodyne O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000096937561 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc(-c4ccc(C(F)(F)F)cc4)[nH]c3c2)c1F ZINC000096937583 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3c2)c1F ZINC000096937586 KK Annotated Anodyne CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(Cl)cc4)cc3c2)c1F ZINC000096937599 KK Annotated Anodyne Cc1ccc(Nc2c(Cl)c(Cl)c(C#N)c(Cl)c2C#N)c(Nc2ccc([N+](=O)[O-])c3nc[nH]c(=O)c23)c1 ZINC000096937622 KK Annotated Mild Cc1cc(C)cc(Nc2ccc(Nc3c(Cl)c(Cl)c(C#N)c(Cl)c3C#N)c3nc[nH]c(=O)c23)c1 ZINC000096937623 KK Annotated Mild Oc1ccccc1/C=N/n1c(C23CC4CC(CC(C4)C2)C3)nn(CN2CCN(Cc3ccccc3)CC2)c1=S ZINC000096937737 KK Annotated Mild Oc1ccc(/C=N/n2c(C34CC5CC(CC(C5)C3)C4)nn(CN3CCN(c4ccccc4)CC3)c2=S)cc1 ZINC000096937740 KK Annotated Mild S=c1n(CNc2ccc(Br)cc2)nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 ZINC000096937750 KK Annotated Anodyne FC(F)(F)c1ccccc1NCn1nc(C23CC4CC(CC(C4)C2)C3)n(-c2ccc(Cl)cc2)c1=S ZINC000096937751 KK Annotated Anodyne FC(F)(F)c1cccc(NCn2nc(C34CC5CC(CC(C5)C3)C4)n(-c3ccc(Cl)cc3)c2=S)c1 ZINC000096937752 KK Annotated Anodyne FC(F)(F)c1ccc(NCn2nc(C34CC5CC(CC(C5)C3)C4)n(-c3ccc(Cl)cc3)c2=S)cc1 ZINC000096937753 KK Annotated Anodyne S=c1n(CNc2cc(Cl)cc(Cl)c2)nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 ZINC000096937755 KK Annotated Anodyne S=c1n(CN2CCN(Cc3ccccc3)CC2)nc(C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Cl)cc1 ZINC000096937763 KK Annotated Anodyne CC1CCN(CCOc2ccc(NCc3cncn3Cc3ccc(-c4ccccc4)cc3)cc2-c2ccccc2)CC1 ZINC000096937940 KK Annotated Anodyne COc1cc(/C=C/C(=O)Nc2ccc(C)cc2N)ccc1OCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000096937951 KK Annotated Anodyne O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)N(S(=O)(=O)c2ccccc2)N=C1c1ccc(Cl)cc1 ZINC000096937997 KK Annotated Anodyne CCCOC(=O)N1C(c2ccc(C(F)(F)F)cc2)=NN=C(c2ccc(C(F)(F)F)cc2)N1C(=O)OCCC ZINC000096938000 KK Annotated Anodyne O=C(Oc1ccccc1)N1C(c2ccc(C(F)(F)F)cc2)=NN=C(c2ccc(C(F)(F)F)cc2)N1C(=O)Oc1ccccc1 ZINC000096938001 KK Annotated Anodyne O=C(OCC1CCCCC1)N1C(c2ccc(C(F)(F)F)cc2)=NN=C(c2ccc(C(F)(F)F)cc2)N1C(=O)OCC1CCCCC1 ZINC000096938002 KK Annotated Anodyne C=C1CC[C@@H]2[C@](C)(COC(=O)CCC(=O)O)[C@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@@H]1/C=C/C1=C/C(=C/c2ccc(Cl)cc2)OC1=O ZINC000096938006 KK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1ccc2c(c1)OCO2)c1ccc(F)cc1C(F)(F)F ZINC000096938182 KK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1cccc(-c2ccccc2)c1)c1ccc(F)cc1C(F)(F)F ZINC000096938183 KK Annotated Mild O=C(O[C@H]1C(=O)C=CN(C(=O)Oc2ccccc2)[C@@H]1c1cc(F)cc(F)c1)c1ccc(F)cc1C(F)(F)F ZINC000096938184 KK Annotated Mild O=C(/C=C/c1cccc(C(F)(F)F)c1)O[C@H]1C(=O)C=CN(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccccc1 ZINC000096938187 KK Annotated Mild Cc1csc([C@@H]2[C@@H](OC(=O)N(C)c3ccccc3)C(=O)C=CN2C(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000096938193 KK Annotated Mild Cc1csc([C@@H]2[C@@H](OC(=O)c3ccc(F)cc3C(F)(F)F)C(=O)C=CN2C(=O)Oc2ccccc2)c1 ZINC000096938203 KK Annotated Mild CO[C@@H]1N(C(=O)OC(C)(C)C)c2ccccc2[C@@]12CN/C(=N\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)S2 ZINC000096938415 KK Annotated Mild CN1CCN(c2nc3c(c(=N)n2-c2ccccc2)c(=S)n(-c2ccccc2)c(=S)n3-c2ccccc2)CC1 ZINC000096938512 KK Annotated Anodyne CCCN1CCC(CNCc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938528 KK Annotated Anodyne CCCN1CCC(CNCc2cn(-c3ccc(C(F)(F)F)cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938534 KK Annotated Anodyne CCCN1CCC(CNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(OC(F)(F)F)cc2)CC1 ZINC000096938537 KK Annotated Bother CCCN1CCC(CNCc2cn(-c3ccc([N+](=O)[O-])cc3)nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000096938554 KK Annotated Bother COc1cc(/C=C/C(=O)Nc2ccc(C)cc2N)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000096938648 KK Annotated Anodyne COc1cc(/C=C/C(=O)Nc2ccc(C)cc2N)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000096938651 KK Annotated Anodyne CC(=O)Oc1ccc2cc1CC1=C(C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC2=O ZINC000096938717 KK Annotated Reactive O=C1N(Cc2ccc(Cl)cc2Cl)c2cccn2S(=O)(=O)N1Cc1cccc(Br)c1 ZINC000096938780 KK Annotated Anodyne COc1ccc(CNc2ccc(OS(=O)(=O)c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096938917 KK Annotated Clean Cc1ccc(S(=O)(=O)Oc2ccc(NCc3ccc(Cl)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 ZINC000096938919 KK Annotated Clean COc1cc(Cl)c(Cl)cc1OCCN1C[C@H](COc2cccc3[nH]c4ccccc4c23)OC1=O ZINC000096939313 KK Annotated Anodyne COc1cc(Cl)c(Cl)cc1OCCN1C[C@@H](COc2cccc3[nH]c4ccccc4c23)OC1=O ZINC000096939314 KK Annotated Anodyne CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(C4CCCCC4)CC3)no2)cc1 ZINC000096939426 KK Annotated Anodyne CCCCCCCCCCCCCCCCCC(=O)n1c2ccccc2c2c(OC[C@@H]3CN(CCOc4ccccc4OC)C(=O)CO3)cccc21 ZINC000096939593 KK Annotated Mild CCCCCCCCCCCCCCCCCC(=O)n1c2ccccc2c2c(OC[C@H]3CN(CCOc4ccccc4OC)C(=O)CO3)cccc21 ZINC000096939599 KK Annotated Mild COc1ccccc1OCCN1C[C@H](COc2ccc3[nH]c4ccc(Br)cc4c3c2Br)OCC1=O ZINC000096939794 KK Annotated Anodyne COc1ccccc1OCCN1C[C@@H](COc2ccc3[nH]c4ccc(Br)cc4c3c2Br)OCC1=O ZINC000096939798 KK Annotated Anodyne COc1cc(Cl)c(Cl)cc1OCCN1C[C@H](COc2cccc3[nH]c4ccccc4c23)OCC1=O ZINC000096939964 KK Annotated Anodyne COc1cc(Cl)c(Cl)cc1OCCN1C[C@@H](COc2cccc3[nH]c4ccccc4c23)OCC1=O ZINC000096939967 KK Annotated Anodyne O=C1CO[C@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOc1cc(Cl)c(Cl)cc1Cl ZINC000096939969 KK Annotated Anodyne O=C1CO[C@@H](COc2cccc3[nH]c4ccccc4c23)CN1CCOc1cc(Cl)c(Cl)cc1Cl ZINC000096939970 KK Annotated Anodyne COc1cc(Cl)c(Cl)cc1OCCN1CCO[C@H](COc2cccc3[nH]c4ccccc4c23)C1 ZINC000096939985 KK Annotated Anodyne COc1cc(Cl)c(Cl)cc1OCCN1CCO[C@@H](COc2cccc3[nH]c4ccccc4c23)C1 ZINC000096939986 KK Annotated Anodyne Clc1cc(Cl)c(OCCN2CCO[C@H](COc3cccc4[nH]c5ccccc5c34)C2)cc1Cl ZINC000096939988 KK Annotated Anodyne Clc1cc(Cl)c(OCCN2CCO[C@@H](COc3cccc4[nH]c5ccccc5c34)C2)cc1Cl ZINC000096939990 KK Annotated Anodyne CC(C)COC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940084 KK Annotated Anodyne CC(C)COC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)[C@@H](C(=O)NC(C)(C)C)c2ccsc2)cc1 ZINC000096940087 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)c2cccs2)cc1 ZINC000096940091 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)c2cccs2)cc1 ZINC000096940093 KK Annotated Anodyne O=C(NC1CCN(C2CCCCCC2)CC1)c1cc(-c2c(O)cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1 ZINC000096940110 KK Annotated Bother CCOC(=O)Nc1cccc(-c2cc(=O)oc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)c1 ZINC000096940135 KK Annotated Anodyne CC1CCN(CCOc2ccc(NCc3cncn3Cc3ccc(-c4ccccn4)cc3N)cc2-c2ccccc2)CC1 ZINC000096940189 KK Annotated Anodyne Nc1cc(Cl)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940190 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000096940191 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000096940194 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000096940196 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000096940199 KK Annotated Anodyne CC(C)(C)NC(=O)[C@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000096940204 KK Annotated Anodyne CC(C)(C)NC(=O)[C@@H](c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000096940205 KK Annotated Anodyne Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2N2CCCC2)c1 ZINC000096940284 KK Annotated Anodyne Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(Cl)c(-c2ccccc2N2CCCCC2)c1 ZINC000096940285 KK Annotated Anodyne Oc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940293 KK Annotated Clean O=C(O)c1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(-c2nc3ccccc3s2)c(-c2ccccc2)c1 ZINC000096940294 KK Annotated Anodyne c1ccc(-c2ccc(Cn3cncc3CNc3ccc(NCCN4CCOCC4)c(-c4ccccc4)c3)cc2)cc1 ZINC000096940297 KK Annotated Anodyne c1ccc(-c2cc(NCc3cncn3Cc3ccc(-c4ccccn4)cc3)ccc2-c2nc3ccccc3s2)cc1 ZINC000096940303 KK Annotated Anodyne Nc1ccccc1-c1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000096940304 KK Annotated Anodyne Oc1ccccc1-c1ccc(Cn2cncc2CNc2ccc(-c3nc4ccccc4s3)c(-c3ccccc3)c2)cc1 ZINC000096940305 KK Annotated Anodyne CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC(=O)Cc3cccc(C(F)(F)F)c3)c3c2OC(C)(C)C=C3)cc1 ZINC000096940312 KK Annotated Mild N=c1c2c(=S)n(-c3ccccc3)c(=S)n(-c3ccccc3)c2nc(SCCN2CCCCC2)n1-c1ccccc1 ZINC000096940357 KK Annotated Anodyne CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OC(=O)C3C4CC5CC(C4)CC3C5)c3c2OC(C)(C)C=C3)cc1 ZINC000096940413 KK Annotated Mild CCN(CC)c1ccc(/C=C/C(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)c3c2OC(C)(C)C=C3)cc1 ZINC000096940419 KK Annotated Mild CC[N+](CC)(CCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940423 KK Annotated Mild CC[N+](CC)(CCCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940424 KK Annotated Mild CC[N+](CC)(CCCCCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940425 KK Annotated Mild CC[N+](CC)(CCCCCCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940426 KK Annotated Mild CC[N+](CC)(CCCCCCCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940427 KK Annotated Mild CC[N+](CC)(CCCCCCCCCCCC[N+](CC)(CC)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000096940428 KK Annotated Mild CC[N+](CC)(CC/N=C1\C[C@H]2CC[C@]1(C)C2(C)C)Cc1ccc(C[N+](CC)(CC)CC/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)cc1 ZINC000096940429 KK Annotated Mild CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@]2(C)CC[C@]2(C)[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@@]12C ZINC000096940543 KK Annotated Anodyne COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000096941540 KK Annotated Mild in-vitro COC1=C(O)C(=O)C(C)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C1=O ZINC000097608024 KK Annotated Mild in-vitro metabolite O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)NCCCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000097943184 KK Annotated Anodyne O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)NCCCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000097943186 KK Annotated Anodyne NOS(=O)(=O)c1ccc(N=C2C=CC(=C(c3ccc(Nc4ccc(S(=O)(=O)O)cc4)cc3)c3ccc(Nc4ccc(S(=O)(=O)ON)cc4)cc3)C=C2)cc1 ZINC000097943188 KK Annotated Mild COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5ccc([N+](=O)[O-])cc5)c(c1)Oc1ccc(cc1)C[C@H]3N(C)CC2)N(C)CC4 ZINC000097943259 KK Annotated Bother Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1cccc(O)c1)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000097960049 KK Annotated Anodyne Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C(c1ccccc1O)c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O ZINC000097960051 KK Annotated Anodyne O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1cccc3ccccc13)N2 ZINC000098002661 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc3ccccc13)N2 ZINC000098002662 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1cccc3ccccc13)N2 ZINC000098002663 KK Annotated Reactive O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1cccc3ccccc13)N2 ZINC000098002664 KK Annotated Reactive S=P(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 ZINC000098007358 KK Annotated Reactive CC(=O)OC[C@]12C(=O)C=C[C@H](OC(=O)c3ccc(Cl)cc3)[C@]13O[C@@H]3C[C@H]1[C@@H]3CC[C@H]([C@H](C)[C@H]4CC(C)=C(COC(=O)c5ccc(Cl)cc5)C(=O)O4)[C@@]3(C)CC[C@@H]12 ZINC000098065457 KK Annotated Mild CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 ZINC000098081887 KK Annotated Clean O=[N+]([O-])c1cc(C(F)(F)F)c(Br)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000098081898 KK Annotated Bother O=[N+]([O-])c1cc(C(F)(F)F)c(I)c([N+](=O)[O-])c1Nc1ncc(C(F)(F)F)cc1Cl ZINC000098081899 KK Annotated Bother O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F ZINC000098082042 KK Annotated Reactive O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F ZINC000098082043 KK Annotated Reactive O=C(C[C@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F ZINC000098082044 KK Annotated Reactive O=C(C[C@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F ZINC000098082045 KK Annotated Reactive O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1ccc(Br)cc1 ZINC000098082046 KK Annotated Reactive O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1ccc(Br)cc1 ZINC000098082047 KK Annotated Reactive O=C(C[C@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1ccc(Br)cc1 ZINC000098082048 KK Annotated Reactive O=C(C[C@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1ccc(Br)cc1 ZINC000098082049 KK Annotated Reactive O=C(COc1nc(-c2cccs2)nc2ccc(I)cc12)NN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O ZINC000098082113 KK Annotated Anodyne CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3ccccc3[N+](=O)[O-])O2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000098082119 KK Annotated Bother CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3ccccc3[N+](=O)[O-])O2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000098082120 KK Annotated Bother Clc1ccc2c(c1)Sc1cccnc1N2CCCCCCN1c2ccc(Cl)cc2Sc2cccnc21 ZINC000098082253 KK Annotated Anodyne Fc1ccc2c(c1)Sc1cccnc1N2CCCCCCN1c2ccc(F)cc2Sc2cccnc21 ZINC000098082254 KK Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3F)n2-c2ccccc2)n1 ZINC000098082311 KK Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3)n2-c2ccccc2)n1 ZINC000098082313 KK Annotated Anodyne CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3)n2/N=C/c2c(F)cccc2F)n1 ZINC000098082447 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3F)n2/N=C/c2ccc(F)cc2)n1 ZINC000098082448 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)n2/N=C/c2ccc(F)cc2)n1 ZINC000098082449 KK Annotated Mild N#CC1=C(N)OC2=C(C(=O)CC(CCCCBr)(CCCCBr)C2)[C@@]12C(=O)Nc1ccccc12 ZINC000098082467 KK Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CC(CCCCBr)(CCCCBr)C2)[C@]12C(=O)Nc1ccccc12 ZINC000098082468 KK Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCBr)(CCCCCCBr)C2)[C@@]12C(=O)Nc1ccccc12 ZINC000098082469 KK Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCBr)(CCCCCCBr)C2)[C@]12C(=O)Nc1ccccc12 ZINC000098082470 KK Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C2)[C@@]12C(=O)Nc1ccccc12 ZINC000098082471 KK Annotated Reactive N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C2)[C@]12C(=O)Nc1ccccc12 ZINC000098082472 KK Annotated Reactive O=C1C(=O)N(CCCSC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccc(Br)cc21 ZINC000098082480 KK Annotated Anodyne Cc1ccc2nc(Sc3ccc(Cl)cc3)c(-c3c(C#N)c(N)nc(Sc4ccc(Cl)cc4)c3C#N)cc2c1 ZINC000098082530 KK Annotated Mild Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4ccccc4nc3Sc3ccc(Cl)cc3)c2C#N)cc1 ZINC000098082531 KK Annotated Mild N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cc2ccccc2nc1Sc1ccc(Cl)cc1 ZINC000098082532 KK Annotated Mild Cc1ccc2nc(Sc3ccccc3)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1 ZINC000098082533 KK Annotated Mild Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4cc(C)ccc4nc3Sc3ccccc3)c2C#N)cc1 ZINC000098082534 KK Annotated Mild Cc1ccc2nc(Sc3ccccc3)c(-c3c(C#N)c(N)nc(Sc4ccc(Cl)cc4)c3C#N)cc2c1 ZINC000098082535 KK Annotated Mild CC(=O)Oc1ccc(/C=C/C(=O)N(c2ccccc2)c2cccc3c(S(=O)(=O)Nc4ccccc4)cccc23)cc1OC(C)=O ZINC000098082574 KK Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1cccc2c(N(C(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)c3ccccc3)cc(C)cc12 ZINC000098082575 KK Annotated Anodyne CCN(c1ccccc1)S(=O)(=O)c1cccc2c(N(C(=O)/C=C/c3ccc(OC(C)=O)c(OC(C)=O)c3)c3ccccc3)cccc12 ZINC000098082576 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098082594 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1 ZINC000098082595 KK Annotated Anodyne COc1ccc2nc(Oc3ccc(F)cc3)c(-c3c(C#N)c(N)n4c(nc5cc(C)ccc54)c3C#N)cc2c1 ZINC000098082662 KK Annotated Mild O=C1C2=C(SCCCCSC3=C(SCCCCS2)C(=O)c2ccccc2C3=O)C(=O)c2ccccc21 ZINC000098082669 KK Annotated Mild CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Cl)cc3Cl)c2=O)=N1 ZINC000098082811 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Cl)cc3Cl)c2=O)=N1 ZINC000098082812 KK Annotated Anodyne O=C(Oc1ccc(/C=C/S(=O)(=O)CS(=O)(=O)/C=C/c2ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c2)cc1OC(=O)c1ccccc1)c1ccccc1 ZINC000098082851 KK Annotated Anodyne CN(C)c1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082869 KK Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082870 KK Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082871 KK Annotated Reactive CN(C)c1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082872 KK Annotated Reactive Cc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082877 KK Annotated Reactive Cc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082878 KK Annotated Reactive Cc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082879 KK Annotated Reactive Cc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 ZINC000098082880 KK Annotated Reactive COc1ccc2nc(Oc3ccc(F)cc3)c(-c3c(C#N)c(N)n4c(nc5ccccc54)c3C#N)cc2c1 ZINC000098082918 KK Annotated Mild O=c1oc2ccc(Br)cc2cc1-c1cn2nc(-c3c(O)[o+]nn3-c3ccc(Cl)cc3)sc2n1 ZINC000098082973 KK Annotated Anodyne Cc1ccc(-n2cc(/C=N/n3c(-c4ccccc4[N+](=O)[O-])nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098083143 KK Annotated Mild Cc1ccc(-n2cc(/C=N/n3c(-c4cccc([N+](=O)[O-])c4)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098083144 KK Annotated Mild Cc1ccc(-n2cc(/C=N/n3c(-c4ccc([N+](=O)[O-])cc4)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098083145 KK Annotated Mild Cc1ccc(-n2cc(/C=N/n3c(-c4ccccc4Cl)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098083146 KK Annotated Mild Cc1ccc(-n2cc(/C=N/n3c(-c4cccc(Cl)c4)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098083147 KK Annotated Mild Fc1ccc(COc2cccc(-n3cc(Cn4c5ccccc5c5nc6ccccc6nc54)nn3)c2)cc1 ZINC000098083160 KK Annotated Bother Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/c4cccc5ccccc45)c3o2)oc2c(/N=N/c3cccc4ccccc34)c(O)ccc12 ZINC000098083218 KK Annotated Clean Cc1c(CCN2CCN(c3ccccc3F)CC2)c(N2CCN(c3ccccc3F)CC2)n2c(nc3ccc(Cl)cc32)c1C#N ZINC000098083274 KK Annotated Mild CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccc(Cl)cc3Cl)c2=O)=N1 ZINC000098083344 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccc(Cl)cc3Cl)c2=O)=N1 ZINC000098083345 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 ZINC000098083348 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccc(Cl)cc3)c2=O)=N1 ZINC000098083349 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=N1 ZINC000098083350 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Br)cc2)n2c(s/c(=C/c3ccc(C)cc3)c2=O)=N1 ZINC000098083351 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccc(Cl)cc3Cl)c2=O)=N1 ZINC000098083352 KK Annotated Bother CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(s/c(=C/c3ccc(Cl)cc3Cl)c2=O)=N1 ZINC000098083353 KK Annotated Bother Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/C4=NCCS4)c3o2)oc2c(/N=N/C3=NCCS3)c(O)ccc12 ZINC000098083449 KK Annotated Clean Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(C(=O)N2N=C(c3ccccc3)C[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098083636 KK Annotated Bother Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(C(=O)N2N=C(c3ccccc3)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000098083637 KK Annotated Bother O=C(O)c1cc(-c2ccccc2)[n+](C/C(=N/N=C2/N=C(c3ccccc3)CS2)c2ccccc2)c2ccccc12 ZINC000098083642 KK Annotated Mild O=C(O)c1cc(-c2ccc(Cl)cc2)[n+](C/C(=N/N=C2/N=C(c3ccccc3)CS2)c2ccccc2)c2ccccc12 ZINC000098083643 KK Annotated Mild Cc1ccc(C2=N/C(=N/N=C(/C[n+]3c(-c4ccccc4)cc(C(=O)O)c4ccccc43)c3ccccc3)SC2)cc1 ZINC000098083888 KK Annotated Mild Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CCCCCCCCCCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098083894 KK Annotated Reactive Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CCCCCCCCCCBr)c3ccccc31)C(C#N)=C(N)O2 ZINC000098083895 KK Annotated Reactive Brc1ccc2c(c1)Sc1cccnc1N2CCCCN1c2ccc(Br)cc2Sc2cccnc21 ZINC000098083932 KK Annotated Anodyne Brc1ccc2c(c1)Sc1cccnc1N2C/C=C/CN1c2ccc(Br)cc2Sc2cccnc21 ZINC000098083934 KK Annotated Anodyne Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/c4ccccn4)c3o2)oc2c(/N=N/c3ccccn3)c(O)ccc12 ZINC000098083962 KK Annotated Clean Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/c4cccnc4)c3o2)oc2c(/N=N/c3cccnc3)c(O)ccc12 ZINC000098083963 KK Annotated Clean Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/c4ccncc4)c3o2)oc2c(/N=N/c3ccncc3)c(O)ccc12 ZINC000098083964 KK Annotated Clean Cc1c/c(=N/CC/N=c2/cc(C)c3ccc(O)c(/N=N/N4[C@H](C)[C@H](C)C(=O)N4c4ccccc4)c3o2)oc2c(/N=N/N3[C@@H](C)[C@@H](C)C(=O)N3c3ccccc3)c(O)ccc12 ZINC000098083968 KK Annotated Clean CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3)n2/N=C/c2ccc(F)cc2)n1 ZINC000098083996 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Br)cc3F)n2/N=C/c2ccc(Cl)cc2)n1 ZINC000098083997 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)n2/N=C/c2ccc(Cl)cc2)n1 ZINC000098083998 KK Annotated Mild CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)n2/N=C/c2ccc(Cl)cc2)n1 ZINC000098083999 KK Annotated Mild COc1cccc(N2C3=C(C(=O)CCC3)C(c3cccc(C4C5=C(CCCC5=O)N(c5cccc(OC)c5)C5=C4C(=O)CCC5)c3)C3=C2CCCC3=O)c1 ZINC000098084041 KK Annotated Mild COc1ccccc1N1C2=C(C(=O)CCC2)C(c2cccc(C3C4=C(CCCC4=O)N(c4ccccc4OC)C4=C3C(=O)CCC4)c2)C2=C1CCCC2=O ZINC000098084042 KK Annotated Mild O=C1CCCC2=C1C(c1cccc(C3C4=C(CCCC4=O)N(c4ccc(C(=O)O)cc4)C4=C3C(=O)CCC4)c1)C1=C(CCCC1=O)N2c1ccc(C(=O)O)cc1 ZINC000098084043 KK Annotated Mild O=C1CCCC2=C1C(c1cccc(C3C4=C(CCCC4=O)N(c4cccc(C(=O)O)c4)C4=C3C(=O)CCC4)c1)C1=C(CCCC1=O)N2c1cccc(C(=O)O)c1 ZINC000098084044 KK Annotated Mild CCCCCCCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCCCCCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084128 KK Annotated Mild CCCCCCCCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCCCCCCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084129 KK Annotated Mild N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCCCCCCCCCBr)c1ccccc12 ZINC000098084183 KK Annotated Reactive N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCCCCCCCCCBr)c1ccccc12 ZINC000098084184 KK Annotated Reactive Brc1ccc2c(c1)Sc1cccnc1N2CCCCCCN1c2ccc(Br)cc2Sc2cccnc21 ZINC000098084207 KK Annotated Anodyne Cc1ccc(-c2nn3c(SCC(=O)Nc4ccc(C(F)(F)F)cc4)nc4ccccc4c3nc2=O)cc1 ZINC000098084223 KK Annotated Bother Cc1cccc(C(=O)N2C(=O)S/C(=C\c3ccc(S(=O)(=O)Nc4nc(-c5ccccc5)cs4)cc3)C2=O)c1 ZINC000098084236 KK Annotated Clean O=C1S/C(=C\c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)C(=O)N1C(=O)c1ccccc1Cl ZINC000098084238 KK Annotated Clean O=C1S/C(=C\c2ccc(S(=O)(=O)Nc3nc(-c4ccccc4)cs3)cc2)C(=O)N1C(=O)c1cccc(Cl)c1 ZINC000098084239 KK Annotated Clean Cc1ccc(Sc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)nc(Sc3ccc(C)cc3)c2C#N)cc1 ZINC000098084246 KK Annotated Mild Cc1ccc(Sc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)nc(Sc3ccc(Cl)cc3)c2C#N)cc1 ZINC000098084247 KK Annotated Mild Cc1ccc2nc(Sc3ccc(Cl)cc3)c(-c3c(C#N)c(N)nc(Sc4ccccc4)c3C#N)cc2c1 ZINC000098084248 KK Annotated Mild Cc1ccc(Sc2nc(N)c(C#N)c(-c3cc4cc(C)ccc4nc3Sc3ccc(Cl)cc3)c2C#N)cc1 ZINC000098084249 KK Annotated Mild COc1cc2c(OCCCCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000098084321 KK Annotated Reactive COc1cc2c(OCCCCCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 ZINC000098084322 KK Annotated Reactive CCCCCCCCn1c[n+](Cc2ccc(C[n+]3cn(CCCCCCCC)c4ccccc43)cc2)c2ccccc21 ZINC000098084359 KK Annotated Mild COc1ccc2nc(Oc3ccc(C)cc3)c(-c3c(C#N)c(N)n4c(nc5cc(C)ccc54)c3C#N)cc2c1 ZINC000098084381 KK Annotated Mild COc1ccc(Oc2nc3ccc(OC)cc3cc2-c2c(C#N)c(N)n3c(nc4cc(C)ccc43)c2C#N)cc1 ZINC000098084382 KK Annotated Mild COc1ccc(F)cc1-c1cccc(-c2nn(CCOS(=O)(=O)c3ccc(Cl)c(Cl)c3)c(=O)o2)c1 ZINC000098084383 KK Annotated Mild CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C3)c2ccccc21 ZINC000098084398 KK Annotated Reactive CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C3)c2ccccc21 ZINC000098084399 KK Annotated Reactive CC(C)c1csc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)cc3)n2/N=C/c2ccc(F)cc2)n1 ZINC000098084410 KK Annotated Mild CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3ccc(F)cc3)O2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000098084414 KK Annotated Anodyne CC(=O)Oc1c(C2=NN(C(C)=O)[C@@H](c3ccc(F)cc3)O2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000098084415 KK Annotated Anodyne c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)c3c(ccc4ccccc34)O2)cc1 ZINC000098084481 KK Annotated Anodyne c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2N[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)Oc3ccc4ccccc4c32)cc1 ZINC000098084482 KK Annotated Anodyne c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)c3c(ccc4ccccc34)O2)cc1 ZINC000098084483 KK Annotated Anodyne c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2N[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)c3c(ccc4ccccc34)O2)cc1 ZINC000098084484 KK Annotated Anodyne Cc1ccc(Sc2nc3ccccc3cc2-c2c(C#N)c(N)nc(Sc3ccc(Cl)cc3)c2C#N)cc1 ZINC000098084560 KK Annotated Mild N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1-c1cc2ccccc2nc1Sc1ccc(Cl)cc1 ZINC000098084561 KK Annotated Mild C=CCn1c(=O)c([C@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(C)ccc21 ZINC000098084743 KK Annotated Mild Cc1ccc(-n2ncnc2-c2nc3ccccc3nc2NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S)cc1 ZINC000098084871 KK Annotated Anodyne COc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1cn(-c2ccc(C)cc2)nc1-c1ccncc1 ZINC000098084899 KK Annotated Mild COc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1OC ZINC000098084913 KK Annotated Reactive COc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1OC ZINC000098084914 KK Annotated Reactive COc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1OC ZINC000098084915 KK Annotated Reactive COc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1OC ZINC000098084916 KK Annotated Reactive COc1ccc(Oc2nc3ccc(OC)cc3cc2-c2c(C#N)c(N)n3c(nc4ccccc43)c2C#N)cc1 ZINC000098084921 KK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(OC)ccc21 ZINC000098084997 KK Annotated Mild C=CCn1c(=O)c([C@@H]2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)c2ccccc2C3=O)cc2cc(Cl)ccc21 ZINC000098084998 KK Annotated Mild CC(C)C[C@@H](C)CCN1C(=O)N(c2ccc(F)cc2)C(=O)C[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000098085042 KK Annotated Anodyne CC(C)C[C@H](C)CCN1C(=O)N(c2ccc(F)cc2)C(=O)C[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000098085043 KK Annotated Anodyne CC(C)C[C@@H](C)CCN1C(=O)N(c2ccc(F)cc2)C(=O)C[C@@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000098085044 KK Annotated Anodyne CC(C)C[C@H](C)CCN1C(=O)N(c2ccc(F)cc2)C(=O)C[C@@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 ZINC000098085045 KK Annotated Anodyne CC1(C)O[C@H]2O[C@H]([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C(=O)N3c3ccco3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098085047 KK Annotated Anodyne CC1(C)O[C@H]2O[C@H]([C@H]3CC(=O)N(c4ccc(Cl)cc4)C(=O)N3c3ccco3)[C@H](OCc3ccccc3)[C@H]2O1 ZINC000098085048 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=N1 ZINC000098085100 KK Annotated Anodyne CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(s/c(=C/c3ccc(Br)cc3)c2=O)=N1 ZINC000098085101 KK Annotated Anodyne COc1cccc(-c2nc3ccccc3c(=O)n2/N=C/c2cn(-c3ccc(C)cc3)nc2-c2ccncc2)c1 ZINC000098085145 KK Annotated Mild COc1ccc(-c2nc3ccccc3c(=O)n2/N=C/c2cn(-c3ccc(C)cc3)nc2-c2ccncc2)cc1 ZINC000098085146 KK Annotated Mild Cc1ccc(-n2cc(/C=N/n3c(-c4ccc(Cl)cc4)nc4ccccc4c3=O)c(-c3ccncc3)n2)cc1 ZINC000098085174 KK Annotated Mild COc1ccc(Oc2nc3ccc(C)cc3cc2-c2c(C#N)c(N)n3c(nc4cc(C)ccc43)c2C#N)cc1 ZINC000098085209 KK Annotated Mild Cc1ccc(-n2n[o+]c(O)c2-c2nn3cc(-c4cc5cc(Br)ccc5oc4=O)nc3s2)cc1 ZINC000098085237 KK Annotated Anodyne CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(=O)N(c2ccc(Cl)c(C)c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000098085305 KK Annotated Anodyne CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(Cl)c(C)c3)C(=O)N2Cc2ccc(Br)cc2)O[C@@H]2OC(C)(C)O[C@H]12 ZINC000098085306 KK Annotated Anodyne CCCCCCCCCCCCN1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000098085320 KK Annotated Mild CCCCCCCCCCCCN1C(=O)N(Cc2ccccc2)C(=O)C[C@@H]1[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OC ZINC000098085321 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccc(Cl)cc3)c2C#N)C(C)(C)C1 ZINC000098085339 KK Annotated Mild Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C1=Cc2c(sc(N3C(=O)[C@@H](Oc4ccc(Cl)cc4Cl)[C@H]3c3ccc(Cl)c(Cl)c3)c2C#N)C(C)(C)C1 ZINC000098085340 KK Annotated Mild S=c1[nH]nc2c3c(c(-c4ccc(Cl)cc4)nc4ccccc43)c(-c3ccccc3)c(-c3ccccc3)n12 ZINC000098085423 KK Annotated Bother O=C(NC1CCCCC1)c1cc(Sc2ccc(NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)ccn1 ZINC000098085441 KK Annotated Anodyne N#Cc1ccccc1N1C2=C(C(=O)CCC2)C(c2cccc(C3C4=C(CCCC4=O)N(c4ccccc4C#N)C4=C3C(=O)CCC4)c2)C2=C1CCCC2=O ZINC000098085587 KK Annotated Mild Cc1cccc(N2C3=C(C(=O)CCC3)C(c3cccc(C4C5=C(CCCC5=O)N(c5cccc(C)n5)C5=C4C(=O)CCC5)c3)C3=C2CCCC3=O)n1 ZINC000098085588 KK Annotated Mild C/C=C1\CN2CC[C@]34c5ccccc5N5[C@H]3[C@H](CO[C@@H]5[C@H]3[C@@H]5N(C(C)=O)c6ccccc6[C@@]56CCN5C/C(=C\C)[C@@H]3C[C@H]56)[C@H]1C[C@H]24 ZINC000098085603 KK Annotated Anodyne Nc1ccc(C2=N/C(=N/N=C(/C[n+]3c(-c4ccccc4)cc(C(=O)O)c4ccccc43)c3ccccc3)SC2)cc1 ZINC000098085683 KK Annotated Mild Nc1ccc(C2=N/C(=N/N=C(/C[n+]3c(-c4ccc(Cl)cc4)cc(C(=O)O)c4ccccc43)c3ccccc3)SC2)cc1 ZINC000098085684 KK Annotated Mild Cc1ccc(-c2cc(C(=O)O)c3ccccc3[n+]2C/C(=N/N=C2/N=C(c3ccc(N)cc3)CS2)c2ccccc2)cc1 ZINC000098085685 KK Annotated Mild O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085766 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085767 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085768 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCCN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085769 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085770 KK Annotated Anodyne O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CCCCN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085771 KK Annotated Anodyne C[C@H](CN1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O ZINC000098085773 KK Annotated Anodyne CC(C)C[C@@H]1NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(Cc2cccc3ccccc23)Cc2cccc3ccccc23)CCC(=O)NCc2cccc(c2)CNC1=O ZINC000098207809 KK Annotated Anodyne COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(NC(=O)c3ccco3)c([N+](=O)[O-])cc2Cl)CC1 ZINC000098207831 KK Annotated Bother COc1ccccc1-c1noc(C)c1C(=O)N1CCN(c2cc(NC(=O)c3cccs3)c([N+](=O)[O-])cc2Cl)CC1 ZINC000098207833 KK Annotated Bother CCN1C(=O)[C@H](c2cc(O)cc(-c3cccnc3)c2)C(=O)N(c2ccccc2)c2cc(C(F)(F)F)ccc21 ZINC000098207845 KK Annotated Anodyne CNc1nc2c(CCNCC3CCC(C#Cc4ccc(-c5ccccc5)cc4)CC3)c3nc(N)[nH]c(=O)c3cc2[nH]1 ZINC000098207875 KK Annotated Mild C[C@H](NC(=O)NC1C2CC3CC(C2)CC1C3)C(=O)N1CC[C@H](c2ccccc2Cl)N1c1ccccc1F ZINC000098207880 KK Annotated Anodyne C[C@H](C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@@H](C)O)O2)O1)C[C@H](C)CCC(=O)O ZINC000098207881 KK Annotated Anodyne in-vitro O=C(C1=C(O)C(=O)N(c2ccc(Cl)c(C(=O)O)c2)[C@H]1c1cc(Br)cs1)c1ccccc1 ZINC000098207910 KK Annotated Mild CCCc1scc(-c2cn[nH]c2)c1C[C@H](/N=C1\NC(C)(C)Cc2cc(Cl)ccc21)C1=NC(=O)CC=N1 ZINC000098207938 KK Annotated Mild O=C(O)Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)s3)[C@@H]2c2cc(Br)cs2)cc1 ZINC000098207947 KK Annotated Mild O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(C(F)(F)F)c3)[C@@H]2c2cc(Cl)c3c(c2)OCO3)c1 ZINC000098207949 KK Annotated Mild O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)c3cccc(C(F)(F)F)c3)[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000098207950 KK Annotated Mild O=C(O)c1cccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)s3)[C@@H]2c2cc(Cl)c3c(c2)OCO3)c1 ZINC000098207951 KK Annotated Mild C/C=C(\C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(OC(=O)CCC)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@H]2[C@@H]1OC(=O)CCCCCCC ZINC000098207972 KK Annotated Mild COc1ccc(C(=O)Nc2ccc(Oc3ccc(N(C(=O)C4CCC(C)CC4)C(C)C)c(C(=O)O)c3)cc2)cc1 ZINC000098207990 KK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4nc5ncccc5o4)c3C(F)(F)F)cc12 ZINC000098207996 KK Annotated Anodyne O=c1ncn(Cc2c(F)cc(F)cc2F)c2ccc(Oc3cccc(-c4ccccn4)c3C(F)(F)F)cc12 ZINC000098207997 KK Annotated Anodyne COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F ZINC000098208075 KK Annotated Anodyne CC(/C=C\[C@H](CCC(C)(C)O)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=C/[C@H](CCC(C)(C)O)C(C)(C)O ZINC000098208078 KK Annotated Anodyne in-vitro CC(/C=C\[C@H](CCC(C)(C)O)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=C/[C@H](CCC(C)(C)O)C(C)(C)O ZINC000098208081 KK Annotated Anodyne in-vitro O=CCCCCCNC(=S)Nc1ccc(C2c3ccc(O)cc3Oc3cc(O)ccc32)c(C(=O)O)c1 ZINC000098208211 KK Annotated Mild CCc1cc(Sc2ncc(C(=O)O)[nH]2)nc([C@H]2CCCC[C@@H]2C(=O)NCc2ccc(Cl)c(Cl)c2)n1 ZINC000098208317 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O ZINC000098208383 KK Annotated Anodyne Cc1cn([C@H]2CCCN([C@@H](CC(C)C)c3ccc(C(=O)O)c(Oc4cccc(Cl)c4)c3F)C2)c(=O)[nH]c1=O ZINC000098208384 KK Annotated Anodyne CO[C@@H](/C(C)=C/C=C/C(C)=C/c1coc(C)n1)[C@@H](C)[C@@H]1C[C@H](O)[C@@]2(C)O[C@@H]2/C=C/[C@@H](C)[C@H]2C[C@@H](C/C=C/C(=O)O1)CC(=O)O2 ZINC000098208396 KK Annotated Anodyne in-vitro CC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H](O)CCCC(=O)O ZINC000098208641 KK Annotated Anodyne O=C1CC[C@H](O)NCCSCc2cccc3c(c4ccccc4nc23)NCCCNCCCCNCCCNc2c3ccccc3nc3c(cccc23)CSCCN1 ZINC000098208693 KK Annotated Clean Cc1c[nH]c2c(O)cc3c(c12)[C@H](C)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](C)c6c5cc(O)c5[nH]cc(C)c65)cc4c3)ccc2[nH]1 ZINC000098208700 KK Annotated Anodyne COC(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)/C=C/C=C(C)/C=C/CC(C)(C)OC ZINC000098208759 KK Annotated Bother CN(C)c1cc[n+](Cc2ccc(CCCCc3ccc(C[n+]4ccc(N(C)c5ccc(Cl)cc5)cc4)cc3)cc2)cc1 ZINC000098208928 KK Annotated Anodyne CC[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@H]1O[C@](CC)([C@H]2CC[C@](CC)([C@H](C)O)O2)C[C@@H]1C ZINC000098209025 KK Annotated Anodyne O=C(NCc1ccc(OC(F)(F)F)c(F)c1)[C@H]1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000098209057 KK Annotated Mild CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@]5(C[C@]6(CC)C=CCN7CC[C@]43[C@@H]76)OC(=O)N(CCCl)C5=O)C2)C1 ZINC000098209070 KK Annotated Anodyne in-vitro CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)(O)OC[C@H](O)CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C ZINC000098209097 KK Annotated Anodyne CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)O)/C=C/[C@H](O)[C@@H](C)CCC(=O)O ZINC000098209119 KK Annotated Anodyne CO[C@H]1C[C@@H]2CC=C[C@@H](C[C@@H](OC)[C@H](O)/C=C(C)/C=C/C(=O)O[C@H]([C@@H](C)[C@@H](O)[C@@H](C)CC[C@H]3C[C@H](OC)C[C@H](C)O3)[C@@H](C)[C@H](OC)C[C@H](OC)[C@]13CO3)O2 ZINC000098209124 KK Annotated Anodyne in-vitro CC[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@@H](O)[C@@H](C)C[C@@]1(CC)O[C@@H]1CC[C@@]1(CC)O[C@@H]1C ZINC000098209127 KK Annotated Anodyne CC[C@@H](C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C)[C@@H](O)[C@@H](C)C[C@]1(CC)O[C@@H]1CC[C@@]1(CC)O[C@@H]1C ZINC000098209128 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@H]1CC[C@H](C)CCC[C@H](C)CCCC[C@H](C)CCC[C@H](C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000098209133 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@H]1CC[C@H](C)CCC[C@H](C)CCCC[C@H](C)CCC[C@@H](C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000098209134 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@H]1CC[C@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@H](C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000098209135 KK Annotated Anodyne CC1=C[C@@H](O)CC(C)(C)[C@@H]1CC[C@H](C)CCC[C@H](C)CCCC[C@@H](C)CCC[C@@H](C)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000098209136 KK Annotated Anodyne Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NCC(F)(F)F)c(OCC(C)(C)O)cc21 ZINC000098209137 KK Annotated Anodyne C/C(C=C=C1C(C)(C)C[C@H](O)C[C@@]1(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 ZINC000098209219 KK Annotated Bother CCN1CCN(Cc2cc(NC(=O)c3cccc4cc(-c5ccc(/C=C6\SC(=O)NC6=O)o5)ccc34)cc(C(F)(F)F)c2)CC1 ZINC000098209234 KK Annotated Anodyne C=CCN(Cc1ccccc1C(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1)Cc1ccc2c(c1C(=O)O)OCO2 ZINC000098209252 KK Annotated Mild CC(=O)O[C@H]1CC(C)(C)C(=C=C/C(C)=C\C=C\C=C\C=C(C)\C=C2\C=C(/C=C/[C@@]34O[C@]3(C)C[C@@H](O)CC4(C)C)C(=O)O2)[C@](C)(O)C1 ZINC000098209302 KK Annotated Bother CCNc1cc2c(cc1C)C(c1ccc(C(=O)NCCCCCCO)cc1C(=O)O)=C1C=C(C)[C@@H](NCC)C=C1O2 ZINC000098209349 KK Annotated Anodyne 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=C/C=C(\C)CCCC(C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000098209361 KK Annotated Anodyne in-vitro 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=C/C=C(\C)CCCC(C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ZINC000098209364 KK Annotated Anodyne in-vitro 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/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CO ZINC000098209373 KK Annotated Anodyne in-vitro C/C=C(C)/C=C/C=C\[C@H](OC)[C@@H](C)[C@@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C ZINC000098209412 KK Annotated Anodyne COC(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)CC/C=C(/C)CCC=C(C)C ZINC000098209419 KK Annotated Bother COC(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)CC/C=C(\C)CCC=C(C)C ZINC000098209420 KK Annotated Bother COC(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)CC/C=C(/C)CCC=C(C)C ZINC000098209421 KK Annotated Bother COC(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)CC/C=C(\C)CCC=C(C)C ZINC000098209422 KK Annotated Bother COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000098209505 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000098209506 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000098209507 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)=C(C)C1=O ZINC000098209508 KK Annotated Mild COC1=C(OC)C(=O)C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)=C(C)C1=O ZINC000098209509 KK 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=C/C2=C[C@@H](C)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000098209659 KK 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=C\C2=C[C@@H](C)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000098209660 KK 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=C\C2=C[C@@H](C)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000098209661 KK 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=C/C2=C[C@@H](C)[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1 ZINC000098209662 KK Annotated Bother C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 ZINC000098209682 KK Annotated Anodyne